A0A3Q0KBU6_SCHMA Loading...

Polypeptide N-acetylgalactosaminyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 697 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	43	Very low	41.4	Very low	243 Å²	243	181.1 Å²	181.1	100%	1.197	81%	0.813	S	S	*	*				0	121.7	0	-84.8	-176	167.5	0	0	109.1
2	R	39.6	Very low	40.6	Very low	234 Å²	234	185.4 Å²	185.4	88%	0.883	82%	0.818	S	S	*	*			trans	57.1	128.2	167.9	-68.5	179.3	173.6	-179.3	-0.6	116.7
3	K	44.7	Very low	40.7	Very low	164 Å²	164	180.3 Å²	180.3	71%	0.713	81%	0.812	S	S	*	*			cis	-169.2	133.1	16.5	-108.4	172.4	179.9	-178.9	0	109.9
4	R	44.6	Very low	40.6	Very low	217 Å²	217	176.1 Å²	176.1	82%	0.819	80%	0.8	S	S	*	*				68	114.6	125.6	-80.5	-174.7	171.4	171.8	-2.9	120.7
5	V	44.1	Very low	40.4	Very low	134 Å²	134	175.7 Å²	175.7	81%	0.812	80%	0.796	S	S	*	*				87.2	119.3	81	167.8	0	0	0	0	111.2
6	S	40.6	Very low	40.4	Very low	99 Å²	99	174.3 Å²	174.3	69%	0.692	80%	0.796	S	S	*	*				-177.6	122.3	77.1	-172.6	0	0	0	0	109.4
7	R	37.5	Very low	40.3	Very low	225 Å²	225	173.5 Å²	173.5	85%	0.849	80%	0.799	S	S	*	*				61	115.7	88.1	-96.2	-172.4	178.4	-173.2	-0.3	117.8
8	H	42.6	Very low	40.4	Very low	177 Å²	177	169.2 Å²	169.2	82%	0.819	79%	0.789	S	S	*	*			trans	172.2	153.2	130.9	-88.9	-53.7	0	0	0	109.5
9	L	40.1	Very low	40.2	Very low	116 Å²	116	169.5 Å²	169.5	61%	0.607	80%	0.796	S	S	*	*			cis	-175.2	161.3	-40.2	-138.7	137.2	0	0	0	106
10	F	40	Very low	40	Very low	163 Å²	163	164.3 Å²	164.3	72%	0.715	79%	0.789	S	S	*	*			trans	85.4	133.7	169.5	-66.8	-96	0	0	0	118.8
11	W	38.4	Very low	40.1	Very low	220 Å²	220	164.4 Å²	164.4	83%	0.833	79%	0.794	S	S	*	*			cis	-164.2	158.2	-8.9	-126.2	41.4	0	0	0	108.3
12	R	32.6	Very low	39.9	Very low	233 Å²	233	159.1 Å²	159.1	88%	0.879	77%	0.774	S	S	*	*			trans	-110	152.4	-179.4	-128.2	-177.1	179	-175.4	-1	109.7
13	T	41.1	Very low	39.9	Very low	119 Å²	119	153 Å²	153	73%	0.73	77%	0.767	S	S	*	*			trans	146.8	148.2	154	44	0	0	0	0	108.6
14	N	38.9	Very low	39.7	Very low	121 Å²	121	155.7 Å²	155.7	65%	0.647	78%	0.779	S	S	*	*			cis	-170	155.1	-3.5	-119.4	-20.6	0	0	0	108
15	K	38.9	Very low	39.3	Very low	170 Å²	170	149.1 Å²	149.1	74%	0.739	78%	0.778	S	S	*	*			trans	62.8	115.3	139	-65.4	-178.9	-178.8	-173.1	0	119.8
16	L	40.3	Very low	38.8	Very low	154 Å²	154	150.7 Å²	150.7	81%	0.806	78%	0.781	S	S	*	*				89	131.9	76.4	-97	169.6	0	0	0	115.2
17	L	37.5	Very low	38.6	Very low	160 Å²	160	153.6 Å²	153.6	84%	0.838	79%	0.788	S	S	*	*			trans	96.7	148.1	158	-88.9	107.1	0	0	0	122
18	P	43.6	Very low	38.6	Very low	96 Å²	96	152.4 Å²	152.4	62%	0.623	79%	0.789	S	S	*	*			trans	-117.9	-174.4	-150.3	42.5	-28.3	0	0	0	115.2
19	L	35.3	Very low	38.5	Very low	176 Å²	176	151.9 Å²	151.9	92%	0.921	79%	0.791	S	S	*	*			trans	72.6	123.2	163.1	-89	124	0	0	0	118.3
20	G	37.4	Very low	38.1	Very low	64 Å²	64	153 Å²	153	66%	0.66	80%	0.797	S	S	*	*			trans	144.6	101	152.9	0	0	0	0	0	115
21	L	41.1	Very low	37.9	Very low	168 Å²	168	157.6 Å²	157.6	88%	0.88	81%	0.809	S	S	*	*			trans	46.9	129.2	134.2	-66	145.1	0	0	0	117.6
22	V	39.5	Very low	37.9	Very low	131 Å²	131	150.9 Å²	150.9	79%	0.794	79%	0.789	S	S	*	*				-173.2	143.2	71.8	166.2	0	0	0	0	109.1
23	C	38	Very low	38	Very low	107 Å²	107	148 Å²	148	72%	0.723	79%	0.791	S	S	*	*			trans	-30.6	142.3	171.1	-55.5	0	0	0	0	118.8
24	F	40.5	Very low	37.7	Very low	220 Å²	220	148.2 Å²	148.2	97%	0.965	79%	0.787	S	S	*	*				-176.8	130.6	120.4	-112.9	-85.3	0	0	0	110.3
25	G	37	Very low	37.5	Very low	78 Å²	78	150.3 Å²	150.3	80%	0.804	80%	0.798	S	S	*	*			trans	119.5	69.7	162.7	0	0	0	0	0	116.9
26	L	33.8	Very low	37.4	Very low	168 Å²	168	151.6 Å²	151.6	88%	0.88	80%	0.803	S	S	*	*			trans	-73.3	152.4	166.5	-85.3	149	0	0	0	112.1
27	L	36.1	Very low	37.1	Very low	160 Å²	160	151.3 Å²	151.3	84%	0.838	80%	0.802	S	S	*	*			trans	113.4	132.7	159	-67.9	151.5	0	0	0	116
28	F	38.6	Very low	36.9	Very low	200 Å²	200	149.6 Å²	149.6	88%	0.877	79%	0.794	S	S	*	*			trans	97.1	44	176.5	-72.5	-86.9	0	0	0	119.2
29	I	39.2	Very low	36.5	Very low	165 Å²	165	154.8 Å²	154.8	85%	0.846	81%	0.809	S	S	*	*	S	Bend	trans	-138.9	90.7	143.6	-57.4	179.9	0	0	0	107.1
30	L	32.5	Very low	36.5	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	80%	0.795	S	S	*	*			trans	161.4	79.6	161.4	-90.8	156.3	0	0	0	109	I32	L30-I32 HydrophobicContact CB-CD1 3.97Å; L30-I32 HydrophobicContact CB-CG1 3.96Å; L30-I32 HydrophobicContact CD2-CD1 3.7Å; L30-I32 HydrophobicContact CD2-CG1 3.37Å; L30-I32 HydrophobicContact CG-CD1 4.39Å; L30-I32 HydrophobicContact CG-CG1 4.26Å
31	W	34.9	Very low	36.2	Very low	259 Å²	259	156.2 Å²	156.2	98%	0.981	81%	0.807	S	S	*	*			trans	-127.9	77.1	143.6	-138.6	38	0	0	0	102.8
32	I	39.2	Very low	35.8	Very low	80 Å²	80	156.3 Å²	156.3	41%	0.41	81%	0.807	S	S	.	*				44.3	89.3	79.3	-53.2	176.6	0	0	0	107	L30 I34	L30-I32 HydrophobicContact CB-CD1 3.97Å; L30-I32 HydrophobicContact CB-CG1 3.96Å; L30-I32 HydrophobicContact CD2-CD1 3.7Å; L30-I32 HydrophobicContact CD2-CG1 3.37Å; L30-I32 HydrophobicContact CG-CD1 4.39Å; L30-I32 HydrophobicContact CG-CG1 4.26Å; I32-I34 HydrophobicContact CG2-CB 4.05Å; I32-I34 HydrophobicContact CG2-CD1 3.56Å; I32-I34 HydrophobicContact CG2-CG1 3.46Å; I32-I34 VanDerWaalsContact CG2-CG1 3.46Å; I32-I34 PolarHBondContact O-N 3.44Å
33	N	34.5	Very low	35.5	Very low	172 Å²	172	155.8 Å²	155.8	92%	0.92	81%	0.806	S	S	*	*				42.3	40.2	72.1	-130.3	1	0	0	0	113.4
34	I	35.9	Very low	35.1	Very low	124 Å²	124	154.7 Å²	154.7	64%	0.636	81%	0.805	S	S	*	*			trans	-143.3	95.3	158.9	-68.2	167.9	0	0	0	106.6	I32	I32-I34 HydrophobicContact CG2-CB 4.05Å; I32-I34 HydrophobicContact CG2-CD1 3.56Å; I32-I34 HydrophobicContact CG2-CG1 3.46Å; I32-I34 VanDerWaalsContact CG2-CG1 3.46Å; I32-I34 PolarHBondContact O-N 3.44Å
35	D	34.4	Very low	34.7	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	80%	0.798	S	S	*	*			trans	-159.3	59.2	143.6	-104.2	-8	0	0	0	106.9
36	K	35.2	Very low	34.3	Very low	196 Å²	196	152.9 Å²	152.9	85%	0.852	80%	0.796	S	S	*	*			trans	-142.2	99.3	161.6	-103.3	-172.3	178.7	179.7	0	104.1
37	L	35	Very low	34.3	Very low	149 Å²	149	149.6 Å²	149.6	78%	0.78	79%	0.793	S	S	*	*			trans	154	127.5	175.4	-87.4	158.3	0	0	0	102.9
38	D	33.2	Very low	34.1	Very low	124 Å²	124	149.3 Å²	149.3	66%	0.663	79%	0.792	S	S	*	*			cis	-172.3	116.1	11.9	-159.5	-6.1	0	0	0	104.9
39	H	35.8	Very low	33.8	Very low	204 Å²	204	147.7 Å²	147.7	94%	0.944	79%	0.792	S	S	*	*			trans	-141.5	76.8	156.1	-85.3	-45.5	0	0	0	107.7
40	G	34.4	Very low	33.5	Very low	60 Å²	60	145.3 Å²	145.3	62%	0.619	79%	0.787	S	S	*	*				52.8	99.8	107.4	0	0	0	0	0	116	L42	G40-L42 PolarHBondContact O-N 2.94Å
41	K	31.3	Very low	33.3	Very low	211 Å²	211	142.2 Å²	142.2	92%	0.917	79%	0.789	S	S	*	*			trans	-32.5	128.3	155.6	-67.2	171.8	174.4	177.7	0	112.7
42	L	33.6	Very low	33.1	Very low	169 Å²	169	138.9 Å²	138.9	89%	0.885	78%	0.784	S	S	*	*			trans	-128.5	136.5	141.6	-82.3	168.8	0	0	0	108	G40	G40-L42 PolarHBondContact O-N 2.94Å
43	P	31.9	Very low	32.6	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	81%	0.805	S	S	*	*			trans	-90.1	167.5	-165.7	30	-18.6	0	0	0	113
44	A	29.5	Very low	32.5	Very low	84 Å²	84	146.3 Å²	146.3	69%	0.694	80%	0.801	S	S	*	*			trans	-50.4	139.9	167.5	0	0	0	0	0	112.4
45	D	31.9	Very low	32.3	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	81%	0.806	S	S	*	*				-172.9	133.5	122.5	-98.7	-24	0	0	0	112.3
46	S	29.3	Very low	32.1	Very low	110 Å²	110	148 Å²	148	77%	0.769	81%	0.806	S	S	*	*			trans	39.6	121.5	144.4	67.9	0	0	0	0	120.7
47	A	33.9	Very low	32	Very low	99 Å²	99	143.4 Å²	143.4	82%	0.818	80%	0.798	S	S	*	*				-175.2	111.3	113.8	0	0	0	0	0	111.1
48	N	32.4	Very low	31.8	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	80%	0.799	S	S	*	*			trans	-53.7	148.9	152.1	-77.2	-46.7	0	0	0	110.6
49	L	31.8	Very low	31.6	Very low	167 Å²	167	145.9 Å²	145.9	87%	0.874	81%	0.807	S	S	*	*			trans	153	157	130.5	-81.9	164.9	0	0	0	112.3
50	P	32.8	Very low	31.3	Very low	115 Å²	115	144 Å²	144	75%	0.747	80%	0.802	S	S	*	*				-119.8	170.2	-122.9	42.6	-33.4	0	0	0	114.9
51	G	27.3	Very low	31	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	81%	0.81	S	S	*	*			trans	47.4	110	140.7	0	0	0	0	0	120
52	Q	31.8	Very low	31	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	81%	0.807	S	S	*	*			trans	-141.6	117.7	145.3	-113.8	179.4	-0.8	0	0	111.4
53	K	27.8	Very low	30.9	Very low	194 Å²	194	146.1 Å²	146.1	84%	0.843	81%	0.806	S	S	*	*			trans	-67.2	137.9	166.6	-72.1	171.4	172	174.2	0	110.1
54	Y	33	Very low	30.8	Very low	214 Å²	214	146 Å²	146	84%	0.839	81%	0.805	S	S	*	*			trans	-169.3	145.6	144.7	-88.3	-78.4	0	0	0	107.1
55	V	32.4	Very low	31.2	Very low	123 Å²	123	148.1 Å²	148.1	75%	0.745	81%	0.812	S	S	*	*			cis	-163.7	148.3	-23.9	132.5	0	0	0	0	104.5
56	K	29	Very low	31.4	Very low	202 Å²	202	146.4 Å²	146.4	88%	0.878	81%	0.812	S	S	*	*			trans	-63	137.5	172.1	-74.3	176.8	172.8	177.6	0	113.2
57	S	33.2	Very low	31.7	Very low	100 Å²	100	150 Å²	150	70%	0.699	82%	0.816	S	S	*	*			trans	175.5	133.1	146.6	57	0	0	0	0	107.2
58	N	31.2	Very low	31.8	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	81%	0.81	S	S	*	*			cis	-150.4	141.8	19.5	-87.8	-35	0	0	0	109.5
59	Q	28.9	Very low	31.8	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	80%	0.803	S	S	*	*			trans	-72.6	133.6	157.5	-74.2	173.3	-33.6	0	0	108.7
60	I	30.8	Very low	31.9	Very low	165 Å²	165	152.6 Å²	152.6	85%	0.846	80%	0.804	S	S	*	*			trans	-123.3	106.6	152.3	-62.7	-178.7	0	0	0	106.6
61	L	27.8	Very low	31.9	Very low	149 Å²	149	155 Å²	155	78%	0.78	81%	0.806	S	S	*	*			trans	-68.9	124.6	169.9	-71.8	154.7	0	0	0	108.8
62	A	31.8	Very low	32.2	Very low	103 Å²	103	158.2 Å²	158.2	85%	0.851	81%	0.805	S	S	*	*			trans	-105.6	105.9	159.7	0	0	0	0	0	108.3
63	R	30.2	Very low	32.4	Very low	231 Å²	231	159 Å²	159	87%	0.872	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.3	150.4	171.1	-81.3	176.1	170.2	175.4	-3.9	110.8
64	P	30.5	Very low	32.7	Very low	118 Å²	118	157.8 Å²	157.8	77%	0.766	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.3	141.8	166.5	33.6	-29.8	0	0	0	109.9
65	P	38.3	Very low	32.6	Very low	129 Å²	129	155.8 Å²	155.8	84%	0.838	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.8	130.9	170.3	31.5	-26.1	0	0	0	111
66	S	36	Very low	32.6	Very low	114 Å²	114	158.6 Å²	158.6	80%	0.797	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78	152.1	168.8	50	0	0	0	0	112.3
67	H	35.1	Very low	32.9	Very low	186 Å²	186	157.7 Å²	157.7	86%	0.861	80%	0.8	S	S	*	*			trans	-29.5	129.2	167.9	-82.8	-97	0	0	0	117
68	K	36.4	Very low	32.7	Very low	160 Å²	160	162.4 Å²	162.4	70%	0.696	81%	0.808	S	S	*	*				167.1	135.7	108.3	-107.9	-177.8	168	-127.2	0	112
69	E	31.8	Very low	32.6	Very low	144 Å²	144	162.1 Å²	162.1	67%	0.673	81%	0.806	S	S	*	*			trans	60	108.3	144	-67.6	158.6	-174.8	0	0	119.1
70	L	34.8	Very low	32.9	Very low	170 Å²	170	161.4 Å²	161.4	89%	0.89	81%	0.808	S	S	*	*				-175.6	143.1	105.3	-95.2	154.6	0	0	0	112
71	E	32.4	Very low	32.6	Very low	166 Å²	166	158.6 Å²	158.6	78%	0.776	80%	0.803	S	S	*	*			trans	-72.7	172.4	-169.7	-67.6	162.7	131.2	0	0	114.3
72	D	33.1	Very low	32.8	Very low	141 Å²	141	156.4 Å²	156.4	75%	0.754	80%	0.798	S	S	*	*			trans	78	97.3	155.2	-63.2	-21.4	0	0	0	119.1
73	Q	35.8	Very low	32.7	Very low	204 Å²	204	157.7 Å²	157.7	95%	0.953	79%	0.789	S	S	*	*				-155.9	117.2	109.8	-105	174.3	29.5	0	0	111.9
74	H	33.4	Very low	32.6	Very low	169 Å²	169	158 Å²	158	78%	0.782	79%	0.79	S	S	*	*			trans	-94.5	151.2	-174.4	-137.1	17.2	0	0	0	110.8
75	K	30.8	Very low	32.6	Very low	172 Å²	172	158.5 Å²	158.5	75%	0.748	79%	0.786	S	S	*	*			trans	82.8	113.5	158.6	-60.3	171.1	177.4	173.6	0	117.7
76	F	33.3	Very low	32.1	Very low	182 Å²	182	161.2 Å²	161.2	80%	0.798	79%	0.788	S	S	*	*				-173.4	135.5	102.4	-113.2	-93.6	0	0	0	113.1
77	K	35.1	Very low	31.8	Very low	184 Å²	184	162.5 Å²	162.5	80%	0.8	79%	0.785	S	S	*	*			trans	69.1	97.6	161.1	-74.8	159.8	-179.5	-174	0	118.2
78	K	28.2	Very low	31.5	Very low	199 Å²	199	161 Å²	161	87%	0.865	78%	0.783	S	S	*	*				50.9	122.7	72.3	-89.7	-171.6	178.9	-178.4	0	115.4
79	N	30.4	Very low	31.4	Very low	142 Å²	142	157.9 Å²	157.9	76%	0.759	77%	0.773	S	S	*	*			trans	95.7	86.5	166.7	-60.9	-1.5	0	0	0	117.3
80	N	34	Very low	31.1	Very low	162 Å²	162	155.5 Å²	155.5	87%	0.866	77%	0.77	S	S	*	*				177.3	117.2	114.5	-87.4	-15.7	0	0	0	110.4
81	S	25.4	Very low	30.9	Very low	105 Å²	105	155.2 Å²	155.2	73%	0.734	77%	0.769	S	S	*	*			trans	-75.1	143.6	173.9	-167.6	0	0	0	0	109.9
82	P	32.9	Very low	30.9	Very low	103 Å²	103	152.9 Å²	152.9	67%	0.669	76%	0.761	S	S	*	*				-123.8	128.5	126	26.3	-13.4	0	0	0	110.3	W84	P82-W84 PolarHBondContact O-N 2.87Å
83	I	28.5	Very low	30.7	Very low	131 Å²	131	149.3 Å²	149.3	67%	0.672	75%	0.751	S	S	*	*			trans	-52.9	104.3	172.1	-65.9	159.4	0	0	0	108.9	N85	I83-N85 VanDerWaalsContact C-N 3.25Å; I83-N85 HydrophobicContact CG2-CB 4.12Å; I83-N85 WeakPolarHBondContact CG2-OD1 3.38Å; I83-N85 PolarHBondContact O-N 2.84Å; I83-N85 VanDerWaalsContact O-N 3.15Å
84	W	27.7	Very low	30.5	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.894	73%	0.726	S	S	*	*			trans	-77.6	85.1	157.1	-76.6	94.7	0	0	0	107	P82 H86	P82-W84 PolarHBondContact O-N 2.87Å; W84-H86 PolarHBondContact O-N 3.04Å
85	N	30.5	Very low	30.4	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	70%	0.704	S	S	*	*			trans	-65.7	118.9	167.8	-91.1	-17.4	0	0	0	108	I83 L87	I83-N85 VanDerWaalsContact C-N 3.25Å; I83-N85 HydrophobicContact CG2-CB 4.12Å; I83-N85 WeakPolarHBondContact CG2-OD1 3.38Å; I83-N85 PolarHBondContact O-N 2.84Å; I83-N85 VanDerWaalsContact O-N 3.15Å; N85-L87 VanDerWaalsContact C-N 3.28Å; N85-L87 PolarHBondContact O-N 2.76Å
86	H	28.5	Very low	30.5	Very low	186 Å²	186	136.8 Å²	136.8	86%	0.861	70%	0.698	S	S	*	*			trans	-50.5	91.6	160.3	-71	-83.8	0	0	0	109.5	W84 N88	W84-H86 PolarHBondContact O-N 3.04Å; H86-N88 PolarHBondContact O-N 2.89Å
87	L	30.2	Very low	30.5	Very low	142 Å²	142	132.2 Å²	132.2	74%	0.743	69%	0.686	S	S	*	*			trans	-83.2	101.9	162.8	-82.1	163.3	0	0	0	106.3	N85 I89	N85-L87 VanDerWaalsContact C-N 3.28Å; N85-L87 PolarHBondContact O-N 2.76Å; L87-I89 PolarHBondContact O-N 3.48Å
88	N	27.9	Very low	30.6	Very low	154 Å²	154	127 Å²	127	82%	0.824	66%	0.664	S	S	*	*			trans	-51.5	91.4	164.7	-78.5	-22.4	0	0	0	108.8	H86 P90	H86-N88 PolarHBondContact O-N 2.89Å; N88-P90 WeakPolarHBondContact O-CD 3.04Å
89	I	34	Very low	30.6	Very low	94 Å²	94	122.4 Å²	122.4	48%	0.482	66%	0.655	S	S	.	*			trans	-61.1	121	148.3	-55	175.7	0	0	0	102.8	L87 D91	L87-I89 PolarHBondContact O-N 3.48Å; I89-D91 PolarHBondContact O-N 2.95Å
90	P	27	Very low	30.5	Very low	94 Å²	94	121.8 Å²	121.8	61%	0.61	66%	0.659	S	S	*	*			trans	-56.9	115.5	169	22	-26.6	0	0	0	105.7	N88 I92	N88-P90 WeakPolarHBondContact O-CD 3.04Å; P90-I92 HydrophobicContact CB-CG1 4.21Å; P90-I92 HydrophobicContact CG-CG1 4.38Å; P90-I92 PolarHBondContact O-N 2.89Å
91	D	30.3	Very low	30.5	Very low	164 Å²	164	119.5 Å²	119.5	88%	0.877	65%	0.645	S	S	*	*			trans	-55.8	86	157.2	-89.6	-30.9	0	0	0	105.3	I89 A93	I89-D91 PolarHBondContact O-N 2.95Å; D91-A93 PolarHBondContact O-N 3.12Å
92	I	31.4	Very low	30.6	Very low	117 Å²	117	121.2 Å²	121.2	60%	0.6	65%	0.646	S	S	*	*			trans	-73.5	88.7	163.9	-59.2	-180	0	0	0	103.2	P90 N94	P90-I92 HydrophobicContact CB-CG1 4.21Å; P90-I92 HydrophobicContact CG-CG1 4.38Å; P90-I92 PolarHBondContact O-N 2.89Å; I92-N94 PolarHBondContact O-N 2.69Å; I92-N94 VanDerWaalsContact O-N 3.09Å
93	A	29.2	Very low	30.5	Very low	66 Å²	66	125 Å²	125	55%	0.545	65%	0.652	S	S	.	*			trans	-41.4	116.4	176.7	0	0	0	0	0	109.7	D91	D91-A93 PolarHBondContact O-N 3.12Å
94	N	31.7	Very low	30.4	Very low	81 Å²	81	125.6 Å²	125.6	43%	0.433	66%	0.657	S	S	.	*			trans	50.9	108.8	149.7	-55.5	-40.6	0	0	0	115.4	I92 R96 P97	I92-N94 PolarHBondContact O-N 2.69Å; I92-N94 VanDerWaalsContact O-N 3.09Å; N94-R96 PolarHBondContact O-N 3.13Å; N94-R96 VanDerWaalsContact O-N 3.11Å; N94-P97 HydrophobicContact CB-CG 4.22Å
95	A	30.7	Very low	30.6	Very low	37 Å²	37	122.8 Å²	122.8	31%	0.306	66%	0.658	S	S	.	*	S	Bend	trans	-38.8	125.1	135.7	0	0	0	0	0	106.4
96	R	34.1	Very low	30.4	Very low	165 Å²	165	119.9 Å²	119.9	62%	0.623	66%	0.659	S	S	*	*			trans	-30.2	116.1	-175.7	-93.3	-174.5	-178.8	-173.8	0.9	107.9	N94 H98	N94-R96 PolarHBondContact O-N 3.13Å; N94-R96 VanDerWaalsContact O-N 3.11Å; R96-H98 VanDerWaalsContact C-N 3.33Å; R96-H98 PolarHBondContact O-N 3.42Å
97	P	33.9	Very low	30.5	Very low	85 Å²	85	119.2 Å²	119.2	55%	0.552	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-53.8	116.2	163.8	-10.2	23.4	0	0	0	102.8	N94 P99	N94-P97 HydrophobicContact CB-CG 4.22Å; P97-P99 VanDerWaalsContact O-N 3.15Å
98	H	36.8	Very low	30.4	Very low	75 Å²	75	119.9 Å²	119.9	35%	0.347	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-49.4	131	166.4	-71.8	-68.7	0	0	0	105.1	R96 N243	R96-H98 VanDerWaalsContact C-N 3.33Å; R96-H98 PolarHBondContact O-N 3.42Å; H98-N243 PolarHBondContact CD2-OD1 3.46Å; H98-N243 PolarHBondContact CE1-ND2 3.44Å; H98-N243 VanDerWaalsContact CE1-ND2 3.26Å; H98-N243 PolarHBondContact CE1-OD1 2.89Å; H98-N243 VanDerWaalsContact CE1-OD1 3.3Å; H98-N243 VanDerWaalsContact CG-OD1 3.3Å; H98-N243 PolarHBondContact ND1-OD1 3.39Å; H98-N243 PolarHBondContact NE2-ND2 3.27Å; H98-N243 PolarHBondContact NE2-OD1 3.28Å
99	P	27.4	Very low	30.3	Very low	103 Å²	103	120.1 Å²	120.1	67%	0.669	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-48.9	133.7	-175.8	18.7	-30.1	0	0	0	107.9	P97 I101	P97-P99 VanDerWaalsContact O-N 3.15Å; P99-I101 PolarHBondContact O-N 2.77Å
100	P	28.6	Very low	30.1	Very low	129 Å²	129	120.7 Å²	120.7	84%	0.838	68%	0.675	S	S	*	*			trans	-58.5	109.1	-177.5	22.1	-29.5	0	0	0	107.4	D102	P100-D102 PolarHBondContact O-N 3.34Å
101	I	34.7	Very low	30.2	Very low	114 Å²	114	125.7 Å²	125.7	59%	0.585	69%	0.687	S	S	*	*			trans	-75.4	108.6	167	-62.6	176.5	0	0	0	104.5	P99 K103 V242	P99-I101 PolarHBondContact O-N 2.77Å; I101-K103 HydrophobicContact CG2-CG 4.42Å; I101-K103 PolarHBondContact O-N 3.4Å; I101-V242 HydrophobicContact CD1-CG2 4.23Å
102	D	26.2	Very low	30	Very low	140 Å²	140	130 Å²	130	75%	0.749	69%	0.691	S	S	*	*			trans	-46.8	119.8	168	-159.9	-7.1	0	0	0	109.3	P100	P100-D102 PolarHBondContact O-N 3.34Å
103	K	30.8	Very low	29.8	Very low	182 Å²	182	132 Å²	132	79%	0.791	70%	0.702	S	S	*	*			trans	-130.2	64.7	175.8	-78.1	-165.1	178.4	-174.8	0	109.3	I101	I101-K103 HydrophobicContact CG2-CG 4.42Å; I101-K103 PolarHBondContact O-N 3.4Å
104	D	26.9	Very low	29.6	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	71%	0.711	S	S	*	*			trans	-70.8	109.8	135.5	-84.9	-22.1	0	0	0	107.5
105	L	31.7	Very low	29.5	Very low	176 Å²	176	135.4 Å²	135.4	92%	0.921	72%	0.723	S	S	*	*			trans	169.3	116.3	144.2	-87.4	164.1	0	0	0	108.6
106	G	25.8	Very low	29.2	Very low	68 Å²	68	140.6 Å²	140.6	70%	0.701	75%	0.746	S	S	*	*			trans	-79.6	176.7	-169.4	0	0	0	0	0	116.5
107	H	30.4	Very low	28.8	Very low	172 Å²	172	142 Å²	142	80%	0.796	76%	0.76	S	S	*	*			trans	157	99.2	145.5	-92.2	-71	0	0	0	106.6
108	E	28.7	Very low	28.4	Very low	157 Å²	157	145 Å²	145	73%	0.734	77%	0.77	S	S	*	*				68.3	109.4	92.8	-77.8	-166.8	145.9	0	0	114.9
109	N	26.1	Very low	28.3	Very low	159 Å²	159	148 Å²	148	85%	0.85	79%	0.789	S	S	*	*			trans	46.6	93.5	141.4	-64.7	-31.8	0	0	0	118.7
110	A	28.9	Very low	28.8	Very low	105 Å²	105	150.4 Å²	150.4	87%	0.868	79%	0.791	S	S	*	*			trans	-118.3	111.7	152.4	0	0	0	0	0	110.4
111	K	29.2	Very low	29.8	Very low	200 Å²	200	148 Å²	148	87%	0.87	77%	0.771	S	S	*	*			trans	-54.9	136.3	174.1	-78.6	170.3	173.3	170.8	0	111.2	L113	K111-L113 PolarHBondContact O-N 3.49Å; K111-L113 VanDerWaalsContact O-N 3.13Å
112	R	26.8	Very low	30.8	Very low	254 Å²	254	147 Å²	147	96%	0.958	76%	0.764	S	S	*	*			trans	-53.7	111.8	162.3	-93.3	178.9	176	172.1	-1.9	109.6
113	L	27.3	Very low	32.5	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	73%	0.731	S	S	*	*			trans	-89.3	120.9	156.9	-83.6	158.7	0	0	0	107.5	K111	K111-L113 PolarHBondContact O-N 3.49Å; K111-L113 VanDerWaalsContact O-N 3.13Å
114	S	25.2	Very low	34	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	71%	0.712	S	S	*	*			trans	-66.3	123.5	165	47.6	0	0	0	0	108.8
115	V	29.2	Very low	35.8	Very low	114 Å²	114	129.2 Å²	129.2	69%	0.691	68%	0.681	S	S	*	*			trans	-116.3	104.6	162.9	-178.2	0	0	0	0	105.3
116	D	25.2	Very low	37.1	Very low	145 Å²	145	123.6 Å²	123.6	78%	0.775	65%	0.651	S	S	*	*			trans	-67.1	148.6	162.7	-70	-49.4	0	0	0	108.5
117	E	25.1	Very low	38.1	Very low	196 Å²	196	124.1 Å²	124.1	92%	0.916	64%	0.64	S	S	*	*			trans	80.4	64.5	-167.1	-60.4	-172.8	157	0	0	115.5
118	L	26.2	Very low	38.4	Very low	146 Å²	146	117.1 Å²	117.1	76%	0.764	61%	0.61	S	S	*	*			trans	-100.8	108.2	152.2	-75	161.9	0	0	0	107.4	E120	L118-E120 PolarHBondContact O-N 3.14Å
119	D	33.5	Very low	38.7	Very low	139 Å²	139	112.4 Å²	112.4	74%	0.743	59%	0.593	S	S	*	*			trans	-55.9	127.8	152.2	-84.6	-35.7	0	0	0	106.1	D121	D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 3.49Å
120	E	38.2	Very low	39	Very low	153 Å²	153	110.8 Å²	110.8	72%	0.715	59%	0.588	S	S	*	*			trans	-63	96.6	172.7	-74.2	-176	165.8	0	0	107.4	L118 H122	L118-E120 PolarHBondContact O-N 3.14Å; E120-H122 PolarHBondContact O-N 3.44Å
121	D	49.8	Very low	39.3	Very low	78 Å²	78	112.2 Å²	112.2	42%	0.417	58%	0.581	S	S	.	*			trans	-69.3	58.8	179.7	-77.6	-35.2	0	0	0	110.4	D119 L384	D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 3.49Å; D121-L384 HydrophobicContact CB-CD2 3.8Å; D121-L384 WeakPolarHBondContact O-CD2 3.16Å
122	H	54.7	Low	39.4	Very low	95 Å²	95	111.5 Å²	111.5	44%	0.44	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-75.1	133.7	167.1	-72.4	-48.5	0	0	0	109	E120 Q390	E120-H122 PolarHBondContact O-N 3.44Å; H122-Q390 PolarHBondContact ND1-NE2 3.22Å
123	L	62.9	Low	39.6	Very low	11 Å²	11	108.7 Å²	108.7	6%	0.058	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-61.3	136.1	171.4	-68.2	171.2	0	0	0	108.4	D125 I371 T373 L384 W402 F480	L123-D125 PolarHBondContact O-N 3.36Å; L123-I371 WeakPolarHBondContact CD1-O 3.2Å; L123-I371 VanDerWaalsContact CD2-O 3.28Å; L123-I371 WeakPolarHBondContact CD2-O 3.49Å; L123-T373 WeakPolarHBondContact CD2-OG1 3.37Å; L123-L384 HydrophobicContact CD1-CD1 4.43Å; L123-L384 HydrophobicContact CG-CD1 4.31Å; L123-W402 HydrophobicContact CB-CD2 3.97Å; L123-W402 HydrophobicContact CB-CG 3.87Å; L123-W402 HydrophobicContact CB-CZ2 4.38Å; L123-W402 HydrophobicContact CD1-CD2 3.92Å; L123-W402 HydrophobicContact CD1-CE3 4.09Å; L123-W402 HydrophobicContact CD1-CH2 3.83Å; L123-W402 HydrophobicContact CD1-CZ2 3.65Å; L123-W402 HydrophobicContact CD1-CZ3 4.04Å; L123-W402 VanDerWaalsContact O-CD1 3.32Å; L123-F480 HydrophobicContact CD2-CE2 3.88Å; L123-F480 HydrophobicContact CD2-CZ 3.99Å
124	P	63.1	Low	39.6	Very low	60 Å²	60	108.1 Å²	108.1	39%	0.39	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-64.3	133.8	177.6	27.5	-33.3	0	0	0	108.8	I126 W402 F480	P124-I126 PolarHBondContact O-N 3.19Å; P124-W402 VanDerWaalsContact O-CD1 3.3Å; P124-W402 PolarHBondContact O-NE1 3.13Å; P124-W402 VanDerWaalsContact O-NE1 3.15Å; P124-F480 HydrophobicContact CG-CB 3.94Å; P124-F480 HydrophobicContact CG-CD1 3.41Å; P124-F480 VanDerWaalsContact CG-CD1 3.41Å; P124-F480 HydrophobicContact CG-CD2 4.5Å; P124-F480 HydrophobicContact CG-CE1 3.97Å; P124-F480 HydrophobicContact CG-CG 3.7Å
125	D	64.7	Low	39.7	Very low	22 Å²	22	111 Å²	111	12%	0.118	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-56.6	139	168.1	-66.4	-36.8	0	0	0	108.9	L123 V127 R401 W402 R633	L123-D125 PolarHBondContact O-N 3.36Å; D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 HydrophobicContact CB-CG2 4.29Å; D125-V127 PolarHBondContact O-N 3.32Å; D125-R401 WeakPolarHBondContact OD1-CA 3.4Å; D125-R401 VanDerWaalsContact OD2-CD 3.31Å; D125-R401 WeakPolarHBondContact OD2-CD 3.28Å; D125-R401 IonicContact OD2-CZ 3.37Å; D125-R401 IonicContact OD2-NE 2.75Å; D125-R401 IonicContact OD2-NH1 3.13Å; D125-R401 PolarHBondContact OD2-NH1 3.21Å; D125-W402 PolarHBondContact OD1-N 2.69Å; D125-R633 IonicContact OD2-NH1 2.68Å; D125-R633 IonicContact OD2-NH2 3.65Å
126	I	57.8	Low	39.5	Very low	58 Å²	58	111.6 Å²	111.6	30%	0.297	59%	0.588	S	S	.	*			trans	-76.2	89.1	176.8	-60.4	176.8	0	0	0	107.1	P124 P128 T399 F400 A426	P124-I126 PolarHBondContact O-N 3.19Å; I126-P128 WeakPolarHBondContact O-CD 3.42Å; I126-T399 WeakPolarHBondContact O-CG2 3.44Å; I126-F400 HydrophobicContact CB-CD1 4.21Å; I126-F400 HydrophobicContact CD1-CD1 4.08Å; I126-F400 HydrophobicContact CD1-CE1 4.44Å; I126-F400 HydrophobicContact CG1-CD1 4.08Å; I126-A426 HydrophobicContact CD1-CB 3.6Å
127	V	46.6	Very low	39.7	Very low	78 Å²	78	112.7 Å²	112.7	47%	0.473	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-85.8	123.4	175.5	-174.5	0	0	0	0	108.4	D125	D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 HydrophobicContact CB-CG2 4.29Å; D125-V127 PolarHBondContact O-N 3.32Å
128	P	36.1	Very low	39.7	Very low	25 Å²	25	109.5 Å²	109.5	16%	0.162	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-62.4	144.5	172.6	-18	30.2	0	0	0	111.4	I126 V130 W450 L496	I126-P128 WeakPolarHBondContact O-CD 3.42Å; P128-V130 PolarHBondContact O-N 3.26Å; P128-W450 HydrophobicContact CB-CH2 3.99Å; P128-L496 HydrophobicContact CB-CD2 3.4Å; P128-L496 VanDerWaalsContact CB-CD2 3.4Å; P128-L496 HydrophobicContact CG-CD2 3.67Å
129	P	35.4	Very low	39.7	Very low	59 Å²	59	113.6 Å²	113.6	38%	0.383	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-57.6	133.3	174.2	26.2	-31.2	0	0	0	108.9	W450	P129-W450 HydrophobicContact CG-CH2 4.31Å; P129-W450 HydrophobicContact CG-CZ2 3.67Å
130	V	33.4	Very low	39.5	Very low	124 Å²	124	112.1 Å²	112.1	75%	0.752	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-84.9	121.4	167.9	-172.1	0	0	0	0	105.7	P128 E132	P128-V130 PolarHBondContact O-N 3.26Å; V130-E132 PolarHBondContact O-N 3.46Å; V130-E132 VanDerWaalsContact O-N 3.11Å
131	D	33.9	Very low	39	Very low	135 Å²	135	111.7 Å²	111.7	72%	0.722	59%	0.592	S	S	*	*			trans	-64.5	110.4	174.3	-68.3	-36.3	0	0	0	108.8
132	E	31.4	Very low	38.2	Very low	186 Å²	186	118.4 Å²	118.4	87%	0.869	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-96.1	134.6	161.4	-75.2	-170.8	167.3	0	0	108.8	V130	V130-E132 PolarHBondContact O-N 3.46Å; V130-E132 VanDerWaalsContact O-N 3.11Å
133	E	31.3	Very low	37	Very low	195 Å²	195	122.7 Å²	122.7	91%	0.911	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-61.9	152.5	-169.7	-72.3	179	152.9	0	0	115.1
134	D	27.7	Very low	35.5	Very low	147 Å²	147	129.7 Å²	129.7	79%	0.786	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-47.8	141.3	-169.8	-69.8	-55.5	0	0	0	117.8
135	N	27.5	Very low	34	Very low	164 Å²	164	135.4 Å²	135.4	88%	0.877	68%	0.682	S	S	*	*			trans	-133.4	116.9	144.5	-91	-46.3	0	0	0	110.6
136	V	25.1	Very low	32.6	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	72%	0.718	S	S	*	*			trans	-75.5	121.8	176.8	175.1	0	0	0	0	109.4
137	L	28.3	Very low	31.3	Very low	168 Å²	168	147.3 Å²	147.3	88%	0.88	75%	0.746	S	S	*	*			trans	-129.6	137.4	166.4	-85.1	167.9	0	0	0	112.3
138	V	27	Very low	30.9	Very low	130 Å²	130	152 Å²	152	79%	0.788	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-79.9	139	-164.3	175	0	0	0	0	111.5
139	R	25.6	Very low	30.7	Very low	231 Å²	231	159.5 Å²	159.5	87%	0.872	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.9	136.8	172	-69.4	-177.2	-178.1	-172.8	-0	111
140	P	28.8	Very low	30.6	Very low	108 Å²	108	160.5 Å²	160.5	70%	0.701	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.2	133.7	161.6	2.8	15.8	0	0	0	110.9
141	D	27.8	Very low	30.7	Very low	145 Å²	145	160 Å²	160	78%	0.775	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.5	128.6	171.8	-164.5	5.8	0	0	0	109.3
142	Y	32.8	Very low	31.1	Very low	219 Å²	219	163.4 Å²	163.4	86%	0.859	83%	0.833	S	S	*	*			trans	-112.7	101.3	173.1	-88	-82.7	0	0	0	110
143	K	29.2	Very low	31.7	Very low	185 Å²	185	163.3 Å²	163.3	80%	0.804	83%	0.832	S	S	*	*			trans	-131.9	118.6	158.4	-85.3	-177	177.5	173.1	0	108.3
144	E	32.8	Very low	31.8	Very low	157 Å²	157	160 Å²	160	73%	0.734	83%	0.828	S	S	*	*			trans	-177.1	113.4	137.2	-102.2	-168.5	150.4	0	0	109.7
145	K	31.7	Very low	32.6	Very low	181 Å²	181	159.6 Å²	159.6	79%	0.787	83%	0.831	S	S	*	*				71.7	117.7	95.2	-76.1	-174.2	-160.4	145.6	0	115
146	S	33.9	Very low	32.9	Very low	125 Å²	125	161 Å²	161	87%	0.874	83%	0.832	S	S	*	*			trans	-148	124.8	132.4	58.3	0	0	0	0	110.6
147	K	31.5	Very low	33.5	Very low	205 Å²	205	160.1 Å²	160.1	89%	0.891	83%	0.831	S	S	*	*			trans	-86.5	138.5	169.6	-82.6	176.2	170.7	179.2	0	108.3
148	I	37.2	Very low	33.7	Very low	175 Å²	175	158.2 Å²	158.2	90%	0.897	83%	0.832	S	S	*	*			trans	-139.6	132	145.5	-61.5	-174.9	0	0	0	108.9
149	M	31.9	Very low	34.3	Very low	184 Å²	184	161.9 Å²	161.9	91%	0.906	83%	0.832	S	S	*	*			trans	-72.9	152.5	-179.7	-76.2	156.7	41.5	0	0	113.2
150	G	34.8	Very low	35	Very low	79 Å²	79	155.7 Å²	155.7	81%	0.814	82%	0.824	S	S	*	*			trans	175.7	98.5	162.4	0	0	0	0	0	112.7
151	S	34.4	Very low	36	Very low	114 Å²	114	158.9 Å²	158.9	80%	0.797	83%	0.829	S	S	*	*			trans	-66.4	138.6	178.3	50.8	0	0	0	0	114.4
152	K	42.3	Very low	37.9	Very low	206 Å²	206	160.5 Å²	160.5	90%	0.896	83%	0.829	S	S	*	*				-175	151.8	125.5	-100.2	174	-177	-174.2	0	111.1
153	E	43	Very low	40	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	82%	0.818	S	S	*	*			trans	-60	161.8	-156.9	-70.4	173.9	150.4	0	0	118.3
154	P	35.5	Very low	42.9	Very low	125 Å²	125	149 Å²	149	81%	0.812	79%	0.794	S	S	*	*			trans	-90.5	141.7	-167.9	35.2	-30.3	0	0	0	112.9
155	V	42.8	Very low	45.8	Very low	140 Å²	140	141.8 Å²	141.8	85%	0.848	76%	0.761	S	S	*	*			trans	-110.9	120.8	161.3	178	0	0	0	0	107.9	S157	V155-S157 PolarHBondContact O-N 3.5Å
156	E	33.9	Very low	48.8	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	72%	0.724	S	S	*	*			trans	-58	124.1	176.1	-76.1	173.9	131.2	0	0	112.2
157	S	37.6	Very low	51.7	Low	109 Å²	109	129.8 Å²	129.8	76%	0.762	70%	0.704	S	S	*	*			trans	-150.8	94.3	159.4	166.8	0	0	0	0	107	V155 R159	V155-S157 PolarHBondContact O-N 3.5Å; S157-R159 VanDerWaalsContact C-N 3.27Å; S157-R159 PolarHBondContact O-N 2.96Å
158	S	34	Very low	54.7	Low	127 Å²	127	125.8 Å²	125.8	89%	0.888	69%	0.686	S	S	*	*			trans	-77.8	72.1	-177.2	51.5	0	0	0	0	111.7
159	R	39	Very low	57.4	Low	207 Å²	207	121.1 Å²	121.1	78%	0.781	66%	0.663	S	S	*	*			trans	-132.5	86.5	148.8	-98.4	-177.3	175.5	177.9	-0.9	107	S157 H161	S157-R159 VanDerWaalsContact C-N 3.27Å; S157-R159 PolarHBondContact O-N 2.96Å; R159-H161 PolarHBondContact O-N 3.2Å
160	S	40.3	Very low	60.4	Low	101 Å²	101	115.6 Å²	115.6	71%	0.706	65%	0.652	S	S	*	*			trans	-64	101.2	170.7	71.1	0	0	0	0	107.7	K162	S160-K162 PolarHBondContact O-N 3.19Å
161	H	50.6	Low	63.3	Low	176 Å²	176	113.4 Å²	113.4	82%	0.815	62%	0.622	S	S	*	*			trans	-64.1	79.5	164.2	-75.3	-66.1	0	0	0	107.8	R159 L163	R159-H161 PolarHBondContact O-N 3.2Å; H161-L163 PolarHBondContact O-N 3.36Å
162	K	67.8	Low	66.2	Low	179 Å²	179	112.2 Å²	112.2	78%	0.778	61%	0.613	S	S	*	*			trans	-60.5	113.3	166.3	-84.8	-175.4	178.1	178.6	0	105.8	S160 S164	S160-K162 PolarHBondContact O-N 3.19Å; K162-S164 PolarHBondContact O-N 3.4Å
163	L	75.7	Confident	68.7	Low	119 Å²	119	103.6 Å²	103.6	62%	0.623	58%	0.578	S	S	*	*			trans	-48.6	135.5	169.8	-76	162.8	0	0	0	108.8	H161 A167 K168	H161-L163 PolarHBondContact O-N 3.36Å; L163-A167 HydrophobicContact CD2-CB 4.43Å; L163-K168 HydrophobicContact CB-CG 3.93Å; L163-K168 WeakPolarHBondContact O-CE 3.23Å; L163-K168 PolarHBondContact O-NZ 2.94Å
164	S	89.7	Confident	71.2	Confident	43 Å²	43	97.7 Å²	97.7	30%	0.301	56%	0.558	S	S	.	*			trans	-60.8	154.9	179.5	99.4	0	0	0	0	110.6	K162 I166 A167 K168 E303	K162-S164 PolarHBondContact O-N 3.4Å; S164-I166 PolarHBondContact O-N 3.37Å; S164-A167 PolarHBondContact O-N 2.93Å; S164-A167 PolarHBondContact OG-N 3.28Å; S164-K168 WeakPolarHBondContact O-CG 2.92Å; S164-K168 PolarHBondContact O-N 3.41Å; S164-E303 VanDerWaalsContact CB-CD 3.41Å; S164-E303 WeakPolarHBondContact CB-OE1 3.38Å; S164-E303 VanDerWaalsContact CB-OE2 3.23Å; S164-E303 WeakPolarHBondContact CB-OE2 3.23Å; S164-E303 PolarHBondContact OG-OE1 3.29Å; S164-E303 PolarHBondContact OG-OE2 2.62Å
165	A	94.7	Very high	74	Confident	6 Å²	6	95.5 Å²	95.5	5%	0.05	54%	0.542	C	S	.	.	H	α-helix	trans	-63.2	-35.8	-177.6	0	0	0	0	0	111.1	K168 L169 E299 A300 E303	A165-K168 PolarHBondContact O-N 3.32Å; A165-L169 WeakPolarHBondContact O-CG 3.42Å; A165-L169 PolarHBondContact O-N 2.71Å; A165-E299 HydrophobicContact CB-CB 3.78Å; A165-E299 HydrophobicContact CB-CG 3.62Å; A165-A300 HydrophobicContact CB-CB 4.13Å; A165-E303 PolarHBondContact N-OE2 2.85Å
166	I	95	Very high	76.6	Confident	0 Å²	0	90.8 Å²	90.8	0%	0	52%	0.515	C	S	.	.	H	α-helix	trans	-60.6	-49.6	173.2	-60.6	177.5	0	0	0	110.6	S164 K168 L169 G170 L171 S174 W263 A300 E303 Y304	S164-I166 PolarHBondContact O-N 3.37Å; I166-K168 PolarHBondContact O-N 2.85Å; I166-L169 PolarHBondContact O-N 3.35Å; I166-G170 PolarHBondContact O-N 2.84Å; I166-G170 VanDerWaalsContact O-N 3.13Å; I166-L171 HydrophobicContact CG2-CB 3.93Å; I166-L171 PolarHBondContact O-N 2.85Å; I166-S174 WeakPolarHBondContact CD1-O 3.5Å; I166-W263 HydrophobicContact CD1-CH2 4.46Å; I166-W263 HydrophobicContact CG1-CH2 4.42Å; I166-A300 HydrophobicContact CG1-CB 3.92Å; I166-A300 WeakPolarHBondContact CG1-O 3.5Å; I166-E303 HydrophobicContact CD1-CB 4.02Å; I166-E303 HydrophobicContact CD1-CG 3.85Å; I166-E303 WeakPolarHBondContact CD1-OE1 3.2Å; I166-E303 HydrophobicContact CG1-CB 4.2Å; I166-E303 HydrophobicContact CG1-CG 4.24Å; I166-E303 PolarHBondContact N-OE2 3.29Å; I166-Y304 HydrophobicContact CD1-CD2 4.21Å
167	A	93.7	Very high	79.6	Confident	54 Å²	54	83.1 Å²	83.1	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-40	-179.4	0	0	0	0	0	112.5	L163 S164 L169 G170	L163-A167 HydrophobicContact CD2-CB 4.43Å; S164-A167 PolarHBondContact O-N 2.93Å; S164-A167 PolarHBondContact OG-N 3.28Å; A167-L169 PolarHBondContact O-N 2.78Å; A167-G170 PolarHBondContact O-N 3.31Å
168	K	94.2	Very high	82.4	Confident	121 Å²	121	83.3 Å²	83.3	53%	0.526	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-32.3	176.2	-73.5	170.2	-179.5	140.5	0	113.1	L163 S164 A165 I166	L163-K168 HydrophobicContact CB-CG 3.93Å; L163-K168 WeakPolarHBondContact O-CE 3.23Å; L163-K168 PolarHBondContact O-NZ 2.94Å; S164-K168 WeakPolarHBondContact O-CG 2.92Å; S164-K168 PolarHBondContact O-N 3.41Å; A165-K168 PolarHBondContact O-N 3.32Å; I166-K168 PolarHBondContact O-N 2.85Å
169	L	95.3	Very high	85.4	Confident	77 Å²	77	83.3 Å²	83.3	40%	0.403	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	-179.8	-68.1	176.2	0	0	0	113.1	A165 I166 A167 L171 P295 H296 A300	A165-L169 WeakPolarHBondContact O-CG 3.42Å; A165-L169 PolarHBondContact O-N 2.71Å; I166-L169 PolarHBondContact O-N 3.35Å; A167-L169 PolarHBondContact O-N 2.78Å; L169-L171 VanDerWaalsContact C-N 3.25Å; L169-L171 HydrophobicContact CB-CD1 3.99Å; L169-L171 HydrophobicContact CB-CD2 4.31Å; L169-L171 HydrophobicContact CB-CG 3.71Å; L169-L171 HydrophobicContact CD1-CD1 4.04Å; L169-L171 PolarHBondContact O-N 3.46Å; L169-P295 HydrophobicContact CD1-CB 4Å; L169-P295 HydrophobicContact CD2-CB 3.99Å; L169-H296 HydrophobicContact CD1-CB 4.39Å; L169-A300 HydrophobicContact CD1-CB 4Å
170	G	94.4	Very high	88.1	Confident	67 Å²	67	74.1 Å²	74.1	69%	0.691	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	29.7	-178.5	0	0	0	0	0	113.7	I166 A167	I166-G170 PolarHBondContact O-N 2.84Å; I166-G170 VanDerWaalsContact O-N 3.13Å; A167-G170 PolarHBondContact O-N 3.31Å
171	L	95.9	Very high	90.8	Very high	34 Å²	34	73 Å²	73	18%	0.178	41%	0.414	C	S	.	.			trans	-76.9	138.4	-175.9	-60.7	173.1	0	0	0	111.4	I166 L169 W263 H296 A300	I166-L171 HydrophobicContact CG2-CB 3.93Å; I166-L171 PolarHBondContact O-N 2.85Å; L169-L171 VanDerWaalsContact C-N 3.25Å; L169-L171 HydrophobicContact CB-CD1 3.99Å; L169-L171 HydrophobicContact CB-CD2 4.31Å; L169-L171 HydrophobicContact CB-CG 3.71Å; L169-L171 HydrophobicContact CD1-CD1 4.04Å; L169-L171 PolarHBondContact O-N 3.46Å; L171-W263 HydrophobicContact CB-CD2 4.46Å; L171-W263 HydrophobicContact CB-CZ2 4.41Å; L171-W263 HydrophobicContact CD1-CD2 4.05Å; L171-W263 HydrophobicContact CD1-CE3 4.03Å; L171-W263 HydrophobicContact CD1-CH2 4.21Å; L171-W263 HydrophobicContact CD1-CZ2 4.25Å; L171-W263 HydrophobicContact CD1-CZ3 4.11Å; L171-W263 HydrophobicContact CD2-CG 4.33Å; L171-H296 HydrophobicContact CD1-CB 3.62Å; L171-H296 HydrophobicContact CD2-CB 3.82Å; L171-H296 HydrophobicContact CG-CB 4.37Å; L171-A300 HydrophobicContact CD1-CB 3.7Å
172	S	94.2	Very high	93	Very high	88 Å²	88	70.1 Å²	70.1	62%	0.615	40%	0.401	S	S	*	.	S	Bend	trans	-128.2	137	175.6	-173.4	0	0	0	0	110.7	W263	S172-W263 VanDerWaalsContact O-CD1 3.27Å; S172-W263 PolarHBondContact O-NE1 2.97Å
173	P	96.5	Very high	94.3	Very high	25 Å²	25	69.9 Å²	69.9	16%	0.162	40%	0.396	C	S	.	.			cis	-73.1	151.8	-6.8	33.7	-35.9	0	0	0	111.1	T175 P177 V228 W263 L267 Y304	P173-T175 WeakPolarHBondContact CB-O 3.37Å; P173-P177 HydrophobicContact CG-CG 4.34Å; P173-V228 HydrophobicContact CG-CG1 4.13Å; P173-V228 HydrophobicContact CG-CG2 3.71Å; P173-W263 PolarHBondContact O-NE1 2.98Å; P173-L267 HydrophobicContact CG-CD2 4.26Å; P173-Y304 HydrophobicContact CG-CE2 4.41Å
174	S	94.7	Very high	95.3	Very high	61 Å²	61	66.1 Å²	66.1	43%	0.427	38%	0.38	S	S	.	.	S	Bend	trans	-85.8	-22	177.8	59.1	0	0	0	0	113.8	I166	I166-S174 WeakPolarHBondContact CD1-O 3.5Å
175	T	95	Very high	95.5	Very high	79 Å²	79	70.8 Å²	70.8	49%	0.485	41%	0.407	S	S	.	.	S	Bend	trans	-136.3	156.6	175	55.3	0	0	0	0	108.9	P173 P177 M307	P173-T175 WeakPolarHBondContact CB-O 3.37Å; T175-P177 WeakPolarHBondContact O-CD 3.41Å; T175-P177 VanDerWaalsContact O-N 3.1Å; T175-M307 HydrophobicContact CG2-CE 4.2Å; T175-M307 HydrophobicContact CG2-SD 3.94Å
176	P	96.9	Very high	95.5	Very high	41 Å²	41	72.2 Å²	72.2	27%	0.266	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-51.3	117.7	175.4	-29.8	37.3	0	0	0	112	Y304 L308	P176-Y304 HydrophobicContact CG-CE1 4.48Å; P176-L308 HydrophobicContact CG-CD2 3.83Å
177	P	96.3	Very high	95.7	Very high	32 Å²	32	74.6 Å²	74.6	21%	0.208	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-72.1	166.8	177.1	30.1	-33.8	0	0	0	110.6	P173 T175 V228 R229	P173-P177 HydrophobicContact CG-CG 4.34Å; T175-P177 WeakPolarHBondContact O-CD 3.41Å; T175-P177 VanDerWaalsContact O-N 3.1Å; P177-V228 HydrophobicContact CG-CG2 3.71Å; P177-R229 HydrophobicContact CG-CG 4.2Å; P177-R229 WeakPolarHBondContact O-CD 3.4Å; P177-R229 PolarHBondContact O-NH1 2.94Å
178	P	96.2	Very high	95.8	Very high	113 Å²	113	72.2 Å²	72.2	73%	0.734	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-53.6	149.5	165	-23.1	34.1	0	0	0	111.2
179	R	96.5	Very high	96	Very high	126 Å²	126	67.4 Å²	67.4	48%	0.475	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-72.4	129.9	174.2	179.4	178.3	171.2	165.5	5.1	109	D275	R179-D275 PolarHBondContact NH1-O 3.4Å
180	S	97.1	Very high	96.1	Very high	14 Å²	14	64.7 Å²	64.7	10%	0.098	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-70.3	148	171.2	-55.7	0	0	0	0	110.8	S184 E189 R229	S180-S184 WeakPolarHBondContact CA-OG 3.45Å; S180-E189 VanDerWaalsContact CB-OE1 3.29Å; S180-E189 WeakPolarHBondContact CB-OE1 3.42Å; S180-E189 WeakPolarHBondContact CB-OE2 3.46Å; S180-E189 PolarHBondContact OG-OE1 3.13Å; S180-E189 PolarHBondContact OG-OE2 3.09Å; S180-R229 WeakPolarHBondContact CB-O 3.3Å; S180-R229 PolarHBondContact N-O 3.45Å; S180-R229 VanDerWaalsContact N-O 3.12Å; S180-R229 PolarHBondContact OG-O 2.64Å
181	D	96.4	Very high	96.2	Very high	77 Å²	77	61.7 Å²	61.7	41%	0.412	36%	0.358	S	S	.	.			trans	-122.5	-175.6	179.3	63.7	12.1	0	0	0	111.9	Y183 S184 Y231	D181-Y183 PolarHBondContact O-N 3.02Å; D181-Y183 VanDerWaalsContact O-N 3.16Å; D181-Y183 PolarHBondContact OD1-N 3.4Å; D181-S184 PolarHBondContact N-OG 2.65Å; D181-S184 VanDerWaalsContact O-CB 3.3Å; D181-S184 WeakPolarHBondContact O-CB 3.21Å; D181-S184 PolarHBondContact O-N 3.47Å; D181-S184 VanDerWaalsContact O-N 3.13Å; D181-S184 PolarHBondContact O-OG 2.8Å; D181-S184 PolarHBondContact OD1-N 2.67Å; D181-S184 PolarHBondContact OD1-OG 3.01Å; D181-Y231 VanDerWaalsContact C-CD2 3.48Å; D181-Y231 VanDerWaalsContact O-CB 3.27Å; D181-Y231 WeakPolarHBondContact O-CB 3.45Å; D181-Y231 VanDerWaalsContact O-CG 3.28Å
182	E	95.9	Very high	96.3	Very high	117 Å²	117	67.2 Å²	67.2	55%	0.547	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17	-179.5	68	-175.6	167.3	0	0	114.1	Y231	E182-Y231 HydrophobicContact CB-CE1 4.07Å; E182-Y231 HydrophobicContact CB-CE2 3.94Å
183	Y	96.8	Very high	96.4	Very high	173 Å²	173	65.3 Å²	65.3	68%	0.678	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-5	179.5	-53.7	-71.7	0	0	0	112.7	D181	D181-Y183 PolarHBondContact O-N 3.02Å; D181-Y183 VanDerWaalsContact O-N 3.16Å; D181-Y183 PolarHBondContact OD1-N 3.4Å
184	S	96.6	Very high	96.5	Very high	40 Å²	40	67 Å²	67	28%	0.28	37%	0.374	S	S	.	.			trans	-71.2	137.3	-178.9	-63.2	0	0	0	0	111.9	S180 D181	S180-S184 WeakPolarHBondContact CA-OG 3.45Å; D181-S184 PolarHBondContact N-OG 2.65Å; D181-S184 VanDerWaalsContact O-CB 3.3Å; D181-S184 WeakPolarHBondContact O-CB 3.21Å; D181-S184 PolarHBondContact O-N 3.47Å; D181-S184 VanDerWaalsContact O-N 3.13Å; D181-S184 PolarHBondContact O-OG 2.8Å; D181-S184 PolarHBondContact OD1-N 2.67Å; D181-S184 PolarHBondContact OD1-OG 3.01Å
185	T	93.4	Very high	96.6	Very high	142 Å²	142	68.4 Å²	68.4	87%	0.871	38%	0.38	S	S	*	.			trans	-118.5	20.3	-168.7	50.5	0	0	0	0	115.1
186	G	95.5	Very high	96.6	Very high	36 Å²	36	66 Å²	66	37%	0.371	36%	0.364	S	S	.	.	S	Bend	trans	-80.4	177.1	179.3	0	0	0	0	0	115.9	G188 E189	G186-G188 PolarHBondContact O-N 3.49Å; G186-E189 VanDerWaalsContact N-CG 3.31Å; G186-E189 VanDerWaalsContact O-CG 3.29Å; G186-E189 WeakPolarHBondContact O-CG 3.4Å; G186-E189 PolarHBondContact O-N 3.2Å
187	P	97.3	Very high	96.5	Very high	49 Å²	49	68.1 Å²	68.1	32%	0.318	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130	173	-26.5	36	0	0	0	112.6	E189 Y194 I226	P187-E189 PolarHBondContact O-N 3.14Å; P187-Y194 HydrophobicContact CB-CD1 4.14Å; P187-Y194 HydrophobicContact CB-CD2 3.8Å; P187-Y194 HydrophobicContact CB-CE1 4.19Å; P187-Y194 HydrophobicContact CB-CE2 3.86Å; P187-Y194 HydrophobicContact CB-CG 3.96Å; P187-Y194 HydrophobicContact CG-CE2 4.19Å; P187-I226 HydrophobicContact CB-CG1 4.18Å
188	G	97.7	Very high	96.5	Very high	5 Å²	5	70.5 Å²	70.5	5%	0.052	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	4.3	176.1	0	0	0	0	0	115.9	G186 G191 K192	G186-G188 PolarHBondContact O-N 3.49Å; G188-G191 PolarHBondContact O-N 3.27Å; G188-G191 VanDerWaalsContact O-N 3.08Å; G188-K192 WeakPolarHBondContact CA-O 3.35Å
189	E	97.9	Very high	96.4	Very high	19 Å²	19	71.9 Å²	71.9	9%	0.089	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-60.4	137.7	176.9	-65.5	-62.7	171.8	0	0	111.3	S180 G186 P187 G191 K192 Y231	S180-E189 VanDerWaalsContact CB-OE1 3.29Å; S180-E189 WeakPolarHBondContact CB-OE1 3.42Å; S180-E189 WeakPolarHBondContact CB-OE2 3.46Å; S180-E189 PolarHBondContact OG-OE1 3.13Å; S180-E189 PolarHBondContact OG-OE2 3.09Å; G186-E189 VanDerWaalsContact N-CG 3.31Å; G186-E189 VanDerWaalsContact O-CG 3.29Å; G186-E189 WeakPolarHBondContact O-CG 3.4Å; G186-E189 PolarHBondContact O-N 3.2Å; P187-E189 PolarHBondContact O-N 3.14Å; E189-G191 VanDerWaalsContact C-N 3.27Å; E189-G191 PolarHBondContact O-N 3.41Å; E189-K192 WeakPolarHBondContact O-CG 3.38Å; E189-Y231 WeakPolarHBondContact OE2-CB 3.49Å; E189-Y231 PolarHBondContact OE2-N 3.27Å
190	G	96.8	Very high	96.4	Very high	21 Å²	21	71.9 Å²	71.9	22%	0.216	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	73	16.7	-173.1	0	0	0	0	0	114	K192 Y231	G190-K192 VanDerWaalsContact C-N 3.25Å; G190-K192 PolarHBondContact O-N 2.88Å; G190-Y231 WeakPolarHBondContact CA-O 3.42Å; G190-Y231 PolarHBondContact N-O 2.89Å
191	G	96.9	Very high	96.4	Very high	4 Å²	4	72.2 Å²	72.2	4%	0.041	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	73.7	13.9	-178.5	0	0	0	0	0	114.2	G188 E189 K380 M381	G188-G191 PolarHBondContact O-N 3.27Å; G188-G191 VanDerWaalsContact O-N 3.08Å; E189-G191 VanDerWaalsContact C-N 3.27Å; E189-G191 PolarHBondContact O-N 3.41Å; G191-K380 WeakPolarHBondContact O-CA 3.49Å; G191-M381 PolarHBondContact O-N 3.47Å
192	K	97.3	Very high	96.4	Very high	149 Å²	149	71 Å²	71	65%	0.648	38%	0.382	S	S	*	.			trans	-67.1	154.4	179.6	-67.1	176.4	-177.1	171.9	0	111.5	G188 E189 G190	G188-K192 WeakPolarHBondContact CA-O 3.35Å; E189-K192 WeakPolarHBondContact O-CG 3.38Å; G190-K192 VanDerWaalsContact C-N 3.25Å; G190-K192 PolarHBondContact O-N 2.88Å
193	A	97.7	Very high	96.5	Very high	48 Å²	48	70.3 Å²	70.3	40%	0.397	39%	0.388	S	S	.	.			trans	-63.6	135.6	173.8	0	0	0	0	0	110.8	T378 K380	A193-T378 HydrophobicContact CB-CG2 4.44Å; A193-K380 HydrophobicContact CB-CB 3.87Å; A193-K380 HydrophobicContact CB-CD 4.22Å; A193-K380 HydrophobicContact CB-CG 4.16Å
194	Y	97.5	Very high	96.5	Very high	61 Å²	61	65.2 Å²	65.2	24%	0.239	38%	0.381	C	S	.	.			trans	-113.7	96	166.3	-173.6	-125.3	0	0	0	109.3	P187 I196 A222 R225 I226 T378	P187-Y194 HydrophobicContact CB-CD1 4.14Å; P187-Y194 HydrophobicContact CB-CD2 3.8Å; P187-Y194 HydrophobicContact CB-CE1 4.19Å; P187-Y194 HydrophobicContact CB-CE2 3.86Å; P187-Y194 HydrophobicContact CB-CG 3.96Å; P187-Y194 HydrophobicContact CG-CE2 4.19Å; Y194-I196 HydrophobicContact CD1-CD1 4.36Å; Y194-I196 HydrophobicContact CD1-CG1 4.37Å; Y194-I196 HydrophobicContact CE1-CD1 3.64Å; Y194-I196 HydrophobicContact CE1-CG1 4.05Å; Y194-I196 HydrophobicContact CE2-CD1 4.47Å; Y194-A222 HydrophobicContact CD1-CB 3.9Å; Y194-A222 HydrophobicContact CE1-CB 4.47Å; Y194-R225 HydrophobicContact CE1-CB 3.78Å; Y194-R225 HydrophobicContact CE1-CG 4.46Å; Y194-R225 WeakPolarHBondContact OH-CD 3.45Å; Y194-I226 HydrophobicContact CD1-CD1 4.46Å; Y194-I226 HydrophobicContact CD1-CG1 4.23Å; Y194-T378 PolarHBondContact N-O 3.13Å; Y194-T378 WeakPolarHBondContact O-CA 3.47Å
195	T	96.7	Very high	96.6	Very high	90 Å²	90	66.4 Å²	66.4	55%	0.552	38%	0.382	S	S	*	.			trans	-85.2	129.1	-176.5	-55.5	0	0	0	0	110.4
196	I	95.5	Very high	96.8	Very high	29 Å²	29	61.7 Å²	61.7	15%	0.149	35%	0.35	C	S	.	.			trans	-117.6	119.4	171.5	-62.5	-65.3	0	0	0	107.4	Y194 L201 F209 Y221 A222	Y194-I196 HydrophobicContact CD1-CD1 4.36Å; Y194-I196 HydrophobicContact CD1-CG1 4.37Å; Y194-I196 HydrophobicContact CE1-CD1 3.64Å; Y194-I196 HydrophobicContact CE1-CG1 4.05Å; Y194-I196 HydrophobicContact CE2-CD1 4.47Å; I196-L201 HydrophobicContact CG2-CD1 3.88Å; I196-L201 HydrophobicContact CG2-CD2 4.09Å; I196-L201 HydrophobicContact CG2-CG 4.17Å; I196-F209 HydrophobicContact CB-CE2 4.25Å; I196-F209 HydrophobicContact CG2-CD2 3.96Å; I196-F209 HydrophobicContact CG2-CE2 3.84Å; I196-Y221 HydrophobicContact CD1-CE1 4.31Å; I196-Y221 HydrophobicContact CG1-CD1 4.27Å; I196-Y221 HydrophobicContact CG2-CD1 4.17Å; I196-Y221 HydrophobicContact CG2-CE1 4.21Å; I196-A222 HydrophobicContact CG1-CB 4.11Å
197	N	95.3	Very high	96.9	Very high	86 Å²	86	65.7 Å²	65.7	46%	0.46	36%	0.362	S	S	.	.			trans	-85.1	122.3	169.1	-60	-31.8	0	0	0	108	E199 D200	N197-E199 PolarHBondContact O-N 3.32Å; N197-D200 HydrophobicContact CB-CB 4.24Å; N197-D200 VanDerWaalsContact CB-OD2 3.23Å; N197-D200 WeakPolarHBondContact CB-OD2 3.37Å; N197-D200 PolarHBondContact ND2-OD2 3.22Å; N197-D200 PolarHBondContact O-N 3.01Å
198	R	95.2	Very high	96.8	Very high	82 Å²	82	68.1 Å²	68.1	31%	0.309	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.6	-34.5	-176.8	-176.3	-173.6	172.8	-68.9	-7.9	111.4	D200 L201 Q206 F209 D210	R198-D200 VanDerWaalsContact C-N 3.27Å; R198-D200 PolarHBondContact O-N 3.33Å; R198-L201 WeakPolarHBondContact O-CB 3.44Å; R198-L201 PolarHBondContact O-N 3.23Å; R198-Q206 HydrophobicContact CG-CG 4.33Å; R198-Q206 WeakPolarHBondContact O-CG 3.25Å; R198-Q206 PolarHBondContact O-NE2 3.35Å; R198-F209 HydrophobicContact CB-CD1 4.31Å; R198-F209 HydrophobicContact CB-CE1 3.96Å; R198-F209 HydrophobicContact CB-CZ 4.25Å; R198-F209 HydrophobicContact CG-CD1 3.84Å; R198-F209 HydrophobicContact CG-CE1 3.89Å; R198-D210 IonicContact CZ-OD1 3.67Å; R198-D210 IonicContact CZ-OD2 3.44Å; R198-D210 IonicContact NE-OD1 2.78Å; R198-D210 PolarHBondContact NE-OD1 3.34Å; R198-D210 IonicContact NE-OD2 3.35Å; R198-D210 PolarHBondContact NE-OD2 3.1Å; R198-D210 IonicContact NH2-OD1 3.7Å; R198-D210 IonicContact NH2-OD2 2.71Å; R198-D210 PolarHBondContact NH2-OD2 2.93Å
199	E	95.4	Very high	96.8	Very high	142 Å²	142	68.9 Å²	68.9	66%	0.664	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.2	-25.1	-177.1	-63.4	68	-146.7	0	0	112.9	N197 L201	N197-E199 PolarHBondContact O-N 3.32Å; E199-L201 VanDerWaalsContact C-N 3.31Å
200	D	95.8	Very high	96.8	Very high	126 Å²	126	71 Å²	71	67%	0.674	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-83	-9.9	179.3	-63.4	-24.8	0	0	0	112.3	N197 R198	N197-D200 HydrophobicContact CB-CB 4.24Å; N197-D200 VanDerWaalsContact CB-OD2 3.23Å; N197-D200 WeakPolarHBondContact CB-OD2 3.37Å; N197-D200 PolarHBondContact ND2-OD2 3.22Å; N197-D200 PolarHBondContact O-N 3.01Å; R198-D200 VanDerWaalsContact C-N 3.27Å; R198-D200 PolarHBondContact O-N 3.33Å
201	L	96.9	Very high	96.8	Very high	21 Å²	21	74.3 Å²	74.3	11%	0.11	39%	0.393	C	S	.	.	S	Bend	trans	-82.5	146.3	179.8	-61	-177.8	0	0	0	111.6	I196 R198 E199 E205 Q206 F209 Y221	I196-L201 HydrophobicContact CG2-CD1 3.88Å; I196-L201 HydrophobicContact CG2-CD2 4.09Å; I196-L201 HydrophobicContact CG2-CG 4.17Å; R198-L201 WeakPolarHBondContact O-CB 3.44Å; R198-L201 PolarHBondContact O-N 3.23Å; E199-L201 VanDerWaalsContact C-N 3.31Å; L201-E205 HydrophobicContact CB-CB 3.91Å; L201-E205 HydrophobicContact CD1-CB 4.41Å; L201-E205 HydrophobicContact CD2-CB 4.45Å; L201-E205 HydrophobicContact CG-CB 4.49Å; L201-Q206 HydrophobicContact CB-CG 3.79Å; L201-Q206 PolarHBondContact O-NE2 3.14Å; L201-F209 HydrophobicContact CD1-CB 3.78Å; L201-F209 HydrophobicContact CD1-CD2 3.93Å; L201-F209 HydrophobicContact CD1-CG 4Å; L201-Y221 HydrophobicContact CD1-CE1 4.16Å; L201-Y221 HydrophobicContact CD2-CE1 3.93Å; L201-Y221 WeakPolarHBondContact CD2-OH 3.34Å
202	S	97.7	Very high	96.9	Very high	51 Å²	51	74.2 Å²	74.2	36%	0.357	39%	0.393	S	S	.	.			trans	-61.3	156.5	170.1	67.3	0	0	0	0	111.3	A204 E205 Q206	S202-A204 PolarHBondContact O-N 3.47Å; S202-A204 VanDerWaalsContact O-N 3.12Å; S202-E205 WeakPolarHBondContact CB-OE2 3.48Å; S202-E205 PolarHBondContact N-OE2 3.34Å; S202-E205 VanDerWaalsContact N-OE2 3.13Å; S202-E205 PolarHBondContact O-N 3.01Å; S202-E205 VanDerWaalsContact OG-CG 3.28Å; S202-E205 WeakPolarHBondContact OG-CG 3.16Å; S202-E205 PolarHBondContact OG-N 3.32Å; S202-E205 PolarHBondContact OG-OE2 2.81Å; S202-Q206 WeakPolarHBondContact O-CG 3.19Å; S202-Q206 PolarHBondContact O-N 3.12Å
203	P	97.3	Very high	96.9	Very high	103 Å²	103	69.9 Å²	69.9	67%	0.669	37%	0.373	S	S	*	.	H	α-helix	trans	-54.1	-35.6	179.2	-28.8	35.8	0	0	0	114	I207	P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 2.73Å
204	A	97	Very high	96.8	Very high	65 Å²	65	73.5 Å²	73.5	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-38.5	176.2	0	0	0	0	0	112.3	S202 I207 I208	S202-A204 PolarHBondContact O-N 3.47Å; S202-A204 VanDerWaalsContact O-N 3.12Å; A204-I207 PolarHBondContact O-N 3.19Å; A204-I208 PolarHBondContact O-N 3.3Å
205	E	97.5	Very high	96.7	Very high	65 Å²	65	72.5 Å²	72.5	30%	0.304	38%	0.38	S	S	.	.	H	α-helix	trans	-74.4	-33.4	177.5	-70.9	172	117.4	0	0	112.6	L201 S202 I207 I208 F209 Y221	L201-E205 HydrophobicContact CB-CB 3.91Å; L201-E205 HydrophobicContact CD1-CB 4.41Å; L201-E205 HydrophobicContact CD2-CB 4.45Å; L201-E205 HydrophobicContact CG-CB 4.49Å; S202-E205 WeakPolarHBondContact CB-OE2 3.48Å; S202-E205 PolarHBondContact N-OE2 3.34Å; S202-E205 VanDerWaalsContact N-OE2 3.13Å; S202-E205 PolarHBondContact O-N 3.01Å; S202-E205 VanDerWaalsContact OG-CG 3.28Å; S202-E205 WeakPolarHBondContact OG-CG 3.16Å; S202-E205 PolarHBondContact OG-N 3.32Å; S202-E205 PolarHBondContact OG-OE2 2.81Å; E205-I207 VanDerWaalsContact C-N 3.27Å; E205-I207 PolarHBondContact O-N 2.89Å; E205-I208 PolarHBondContact O-N 2.91Å; E205-I208 VanDerWaalsContact O-N 3.14Å; E205-F209 WeakPolarHBondContact O-CB 3.39Å; E205-F209 PolarHBondContact O-N 3.46Å; E205-Y221 HydrophobicContact CB-CE2 4.07Å; E205-Y221 HydrophobicContact CG-CE2 4.33Å; E205-Y221 PolarHBondContact OE1-OH 3.37Å
206	Q	97.8	Very high	96.7	Very high	43 Å²	43	68.4 Å²	68.4	20%	0.201	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-40.1	172.5	-70.6	-176.1	34.6	0	0	111.3	R198 L201 S202 I208 F209 D210	R198-Q206 HydrophobicContact CG-CG 4.33Å; R198-Q206 WeakPolarHBondContact O-CG 3.25Å; R198-Q206 PolarHBondContact O-NE2 3.35Å; L201-Q206 HydrophobicContact CB-CG 3.79Å; L201-Q206 PolarHBondContact O-NE2 3.14Å; S202-Q206 WeakPolarHBondContact O-CG 3.19Å; S202-Q206 PolarHBondContact O-N 3.12Å; Q206-I208 VanDerWaalsContact C-N 3.33Å; Q206-I208 PolarHBondContact O-N 2.97Å; Q206-F209 PolarHBondContact O-N 2.92Å; Q206-D210 WeakPolarHBondContact O-CB 3.5Å; Q206-D210 PolarHBondContact O-N 3.44Å
207	I	97.5	Very high	96.8	Very high	121 Å²	121	67.2 Å²	67.2	62%	0.621	35%	0.349	S	S	*	.	H	α-helix	trans	-60.5	-43.5	175.4	-66.3	165.5	0	0	0	111	P203 A204 E205 K211	P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 2.73Å; A204-I207 PolarHBondContact O-N 3.19Å; E205-I207 VanDerWaalsContact C-N 3.27Å; E205-I207 PolarHBondContact O-N 2.89Å; I207-K211 WeakPolarHBondContact O-CB 3.21Å; I207-K211 PolarHBondContact O-N 2.88Å
208	I	96.7	Very high	96.9	Very high	100 Å²	100	63.1 Å²	63.1	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-43.6	178.6	-58.4	170.3	0	0	0	110.4	A204 E205 Q206 K211 G212 Y221	A204-I208 PolarHBondContact O-N 3.3Å; E205-I208 PolarHBondContact O-N 2.91Å; E205-I208 VanDerWaalsContact O-N 3.14Å; Q206-I208 VanDerWaalsContact C-N 3.33Å; Q206-I208 PolarHBondContact O-N 2.97Å; I208-K211 PolarHBondContact O-N 2.55Å; I208-G212 PolarHBondContact O-N 3.26Å; I208-Y221 HydrophobicContact CB-CD2 4.2Å; I208-Y221 HydrophobicContact CG2-CD2 3.91Å; I208-Y221 HydrophobicContact CG2-CE2 4.49Å
209	F	97.8	Very high	97.1	Very high	20 Å²	20	59.3 Å²	59.3	9%	0.088	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-52.4	176.8	177.2	-84.7	0	0	0	111.6	I196 R198 L201 E205 Q206 K211 G212 W213 Y221	I196-F209 HydrophobicContact CB-CE2 4.25Å; I196-F209 HydrophobicContact CG2-CD2 3.96Å; I196-F209 HydrophobicContact CG2-CE2 3.84Å; R198-F209 HydrophobicContact CB-CD1 4.31Å; R198-F209 HydrophobicContact CB-CE1 3.96Å; R198-F209 HydrophobicContact CB-CZ 4.25Å; R198-F209 HydrophobicContact CG-CD1 3.84Å; R198-F209 HydrophobicContact CG-CE1 3.89Å; L201-F209 HydrophobicContact CD1-CB 3.78Å; L201-F209 HydrophobicContact CD1-CD2 3.93Å; L201-F209 HydrophobicContact CD1-CG 4Å; E205-F209 WeakPolarHBondContact O-CB 3.39Å; E205-F209 PolarHBondContact O-N 3.46Å; Q206-F209 PolarHBondContact O-N 2.92Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.2Å; F209-G212 PolarHBondContact O-N 2.83Å; F209-W213 AromaticContact CD1-CD1 3.88Å; F209-W213 AromaticContact CE1-CD1 3.47Å; F209-W213 VanDerWaalsContact CE1-CD1 3.47Å; F209-W213 AromaticContact CE1-NE1 3.5Å; F209-W213 AromaticContact CE2-NE1 3.83Å; F209-W213 AromaticContact CZ-CD1 3.72Å; F209-W213 AromaticContact CZ-NE1 3.24Å; F209-W213 PolarHBondContact O-N 2.75Å; F209-Y221 HydrophobicContact CB-CD2 4.3Å; F209-Y221 HydrophobicContact CB-CG 4.29Å; F209-Y221 HydrophobicContact CD2-CD1 4.29Å; F209-Y221 HydrophobicContact CD2-CG 4.22Å
210	D	97.7	Very high	97.2	Very high	63 Å²	63	54.3 Å²	54.3	34%	0.337	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-41.9	-179.5	-69.2	-22.4	0	0	0	111	R198 Q206 G212 W213 E214	R198-D210 IonicContact CZ-OD1 3.67Å; R198-D210 IonicContact CZ-OD2 3.44Å; R198-D210 IonicContact NE-OD1 2.78Å; R198-D210 PolarHBondContact NE-OD1 3.34Å; R198-D210 IonicContact NE-OD2 3.35Å; R198-D210 PolarHBondContact NE-OD2 3.1Å; R198-D210 IonicContact NH2-OD1 3.7Å; R198-D210 IonicContact NH2-OD2 2.71Å; R198-D210 PolarHBondContact NH2-OD2 2.93Å; Q206-D210 WeakPolarHBondContact O-CB 3.5Å; Q206-D210 PolarHBondContact O-N 3.44Å; D210-G212 VanDerWaalsContact C-N 3.31Å; D210-G212 PolarHBondContact O-N 3.06Å; D210-W213 PolarHBondContact O-N 3.12Å; D210-E214 PolarHBondContact O-N 2.9Å
211	K	96.9	Very high	97.3	Very high	91 Å²	91	48.7 Å²	48.7	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-40.3	177	-169.4	61.2	167.7	75.1	0	111.8	I207 I208 F209 W213 E214 D215	I207-K211 WeakPolarHBondContact O-CB 3.21Å; I207-K211 PolarHBondContact O-N 2.88Å; I208-K211 PolarHBondContact O-N 2.55Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.2Å; K211-W213 VanDerWaalsContact C-N 3.33Å; K211-W213 PolarHBondContact O-N 2.83Å; K211-E214 WeakPolarHBondContact CD-OE2 3.32Å; K211-E214 WeakPolarHBondContact O-CB 3.46Å; K211-E214 PolarHBondContact O-N 2.81Å; K211-D215 IonicContact NZ-OD1 2.67Å; K211-D215 PolarHBondContact NZ-OD1 3.43Å; K211-D215 IonicContact NZ-OD2 2.82Å; K211-D215 PolarHBondContact NZ-OD2 3.42Å; K211-D215 WeakPolarHBondContact O-CB 3.23Å; K211-D215 PolarHBondContact O-N 3.49Å
212	G	97.4	Very high	97.3	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-41.1	175.4	0	0	0	0	0	113.1	I208 F209 D210 N216	I208-G212 PolarHBondContact O-N 3.26Å; F209-G212 PolarHBondContact O-N 2.83Å; D210-G212 VanDerWaalsContact C-N 3.31Å; D210-G212 PolarHBondContact O-N 3.06Å; G212-N216 PolarHBondContact O-N 2.93Å; G212-N216 VanDerWaalsContact O-N 3.12Å; G212-N216 PolarHBondContact O-ND2 3.21Å
213	W	97.1	Very high	97.4	Very high	58 Å²	58	45.3 Å²	45.3	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-42.3	174.4	-84	104	0	0	0	113.1	F209 D210 K211 D215 A217 Y218 N219 D376 K377 R483	F209-W213 AromaticContact CD1-CD1 3.88Å; F209-W213 AromaticContact CE1-CD1 3.47Å; F209-W213 VanDerWaalsContact CE1-CD1 3.47Å; F209-W213 AromaticContact CE1-NE1 3.5Å; F209-W213 AromaticContact CE2-NE1 3.83Å; F209-W213 AromaticContact CZ-CD1 3.72Å; F209-W213 AromaticContact CZ-NE1 3.24Å; F209-W213 PolarHBondContact O-N 2.75Å; D210-W213 PolarHBondContact O-N 3.12Å; K211-W213 VanDerWaalsContact C-N 3.33Å; K211-W213 PolarHBondContact O-N 2.83Å; W213-D215 VanDerWaalsContact C-N 3.29Å; W213-D215 PolarHBondContact O-N 3.16Å; W213-A217 WeakPolarHBondContact O-CA 3.45Å; W213-A217 PolarHBondContact O-N 2.97Å; W213-Y218 VanDerWaalsContact CZ3-CA 3.44Å; W213-N219 HydrophobicContact CZ2-CB 3.67Å; W213-D376 HydrophobicContact CH2-CB 4.25Å; W213-D376 WeakPolarHBondContact CH2-O 3.33Å; W213-D376 HydrophobicContact CZ3-CB 4.47Å; W213-K377 HydrophobicContact CH2-CB 4.36Å; W213-K377 HydrophobicContact CH2-CG 3.62Å; W213-K377 HydrophobicContact CZ2-CB 4.25Å; W213-K377 HydrophobicContact CZ2-CG 3.8Å; W213-R483 PolarHBondContact O-NH2 2.87Å
214	E	96	Very high	97.4	Very high	123 Å²	123	43.4 Å²	43.4	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-56.4	-48.8	174.7	-172.7	-169.8	168.4	0	0	110.2	D210 K211 R483	D210-E214 PolarHBondContact O-N 2.9Å; K211-E214 WeakPolarHBondContact CD-OE2 3.32Å; K211-E214 WeakPolarHBondContact O-CB 3.46Å; K211-E214 PolarHBondContact O-N 2.81Å; E214-R483 PolarHBondContact O-NH2 2.87Å
215	D	95.8	Very high	97.4	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.214	21%	0.213	C	C	.	.	H	α-helix	trans	-74.1	-32.9	-170.6	-90.5	-15.7	0	0	0	115.1	K211 W213 R294	K211-D215 IonicContact NZ-OD1 2.67Å; K211-D215 PolarHBondContact NZ-OD1 3.43Å; K211-D215 IonicContact NZ-OD2 2.82Å; K211-D215 PolarHBondContact NZ-OD2 3.42Å; K211-D215 WeakPolarHBondContact O-CB 3.23Å; K211-D215 PolarHBondContact O-N 3.49Å; W213-D215 VanDerWaalsContact C-N 3.29Å; W213-D215 PolarHBondContact O-N 3.16Å; D215-R294 PolarHBondContact O-NH2 3.31Å; D215-R294 IonicContact OD1-CZ 2.81Å; D215-R294 IonicContact OD1-NH2 3.74Å; D215-R294 PolarHBondContact OD1-NH2 2.75Å; D215-R294 VanDerWaalsContact OD1-NH2 3.16Å; D215-R294 IonicContact OD2-CZ 3.37Å; D215-R294 IonicContact OD2-NH2 3.95Å
216	N	97	Very high	97.5	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-128.7	-11	-168.4	-43.1	-77.5	0	0	0	114	G212 Y218 Q220 R294	G212-N216 PolarHBondContact O-N 2.93Å; G212-N216 VanDerWaalsContact O-N 3.12Å; G212-N216 PolarHBondContact O-ND2 3.21Å; N216-Y218 HydrophobicContact CB-CD1 3.9Å; N216-Y218 HydrophobicContact CB-CD2 4.13Å; N216-Y218 HydrophobicContact CB-CE1 3.42Å; N216-Y218 VanDerWaalsContact CB-CE1 3.42Å; N216-Y218 HydrophobicContact CB-CE2 3.65Å; N216-Y218 HydrophobicContact CB-CG 4.23Å; N216-Y218 WeakPolarHBondContact O-CD1 3.28Å; N216-Y218 WeakPolarHBondContact O-CE1 2.97Å; N216-Y218 PolarHBondContact O-N 3.23Å; N216-Q220 PolarHBondContact ND2-OE1 3.39Å; N216-R294 PolarHBondContact OD1-NH1 3.23Å
217	A	97.2	Very high	97.5	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	20%	0.2	C	C	.	.	S	Bend	trans	58.8	30.2	-174.3	0	0	0	0	0	114.2	W213 R481 R483 P485	W213-A217 WeakPolarHBondContact O-CA 3.45Å; W213-A217 PolarHBondContact O-N 2.97Å; A217-R481 HydrophobicContact CB-CB 4.33Å; A217-R483 HydrophobicContact CB-CG 3.67Å; A217-R483 VanDerWaalsContact CB-O 3.29Å; A217-R483 WeakPolarHBondContact CB-O 3.49Å; A217-P485 HydrophobicContact CB-CB 4.46Å
218	Y	97.8	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-154.6	168.8	168.4	57	-104.5	0	0	0	109	W213 N216 Q220 E261 A262 V265 I479 R481	W213-Y218 VanDerWaalsContact CZ3-CA 3.44Å; N216-Y218 HydrophobicContact CB-CD1 3.9Å; N216-Y218 HydrophobicContact CB-CD2 4.13Å; N216-Y218 HydrophobicContact CB-CE1 3.42Å; N216-Y218 VanDerWaalsContact CB-CE1 3.42Å; N216-Y218 HydrophobicContact CB-CE2 3.65Å; N216-Y218 HydrophobicContact CB-CG 4.23Å; N216-Y218 WeakPolarHBondContact O-CD1 3.28Å; N216-Y218 WeakPolarHBondContact O-CE1 2.97Å; N216-Y218 PolarHBondContact O-N 3.23Å; Y218-Q220 HydrophobicContact CE2-CB 4.37Å; Y218-Q220 PolarHBondContact O-N 3.1Å; Y218-E261 PolarHBondContact OH-OE1 3.29Å; Y218-A262 HydrophobicContact CE2-CB 4.37Å; Y218-A262 VanDerWaalsContact OH-CB 3.25Å; Y218-A262 WeakPolarHBondContact OH-CB 3.02Å; Y218-V265 HydrophobicContact CE2-CG2 3.7Å; Y218-I479 HydrophobicContact CD1-CG2 3.97Å; Y218-I479 HydrophobicContact CG-CG2 3.96Å; Y218-R481 HydrophobicContact CD1-CG 4.17Å
219	N	97.8	Very high	97.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	16%	0.156	C	C	.	.			trans	-75.7	81.1	-176.6	-169.2	-9.1	0	0	0	112.8	W213 Y221 A222 S223 D376 K377 L379	W213-N219 HydrophobicContact CZ2-CB 3.67Å; N219-Y221 PolarHBondContact O-N 3.05Å; N219-Y221 PolarHBondContact OD1-N 2.9Å; N219-A222 HydrophobicContact CB-CB 4.17Å; N219-A222 VanDerWaalsContact CG-CB 3.47Å; N219-A222 WeakPolarHBondContact ND2-CB 3.06Å; N219-A222 PolarHBondContact O-N 3.17Å; N219-A222 PolarHBondContact OD1-N 2.72Å; N219-S223 PolarHBondContact O-N 3.39Å; N219-S223 VanDerWaalsContact O-N 3.12Å; N219-D376 WeakPolarHBondContact CB-O 3.42Å; N219-D376 PolarHBondContact N-O 2.81Å; N219-K377 WeakPolarHBondContact CB-O 3.37Å; N219-K377 PolarHBondContact ND2-O 3.06Å; N219-L379 HydrophobicContact CB-CD2 4.27Å
220	Q	98.2	Very high	97.6	Very high	36 Å²	36	32.5 Å²	32.5	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-37.3	174.9	-176.8	-173.1	-26.9	0	0	111.9	N216 Y218 A222 S223 D224 A262	N216-Q220 PolarHBondContact ND2-OE1 3.39Å; Y218-Q220 HydrophobicContact CE2-CB 4.37Å; Y218-Q220 PolarHBondContact O-N 3.1Å; Q220-A222 VanDerWaalsContact C-N 3.3Å; Q220-A222 PolarHBondContact O-N 3.06Å; Q220-S223 CarbonylContact O-C 3.55Å; Q220-S223 WeakPolarHBondContact O-CA 3.29Å; Q220-S223 WeakPolarHBondContact O-CB 3.23Å; Q220-S223 PolarHBondContact O-N 2.67Å; Q220-D224 WeakPolarHBondContact CG-OD2 3.2Å; Q220-D224 PolarHBondContact NE2-OD2 2.77Å; Q220-D224 VanDerWaalsContact O-CG 3.3Å; Q220-D224 PolarHBondContact O-N 3.47Å; Q220-A262 HydrophobicContact CG-CB 3.8Å
221	Y	98	Very high	97.6	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.035	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-38.5	-177.5	-177	-81.5	0	0	0	112.5	I196 L201 E205 I208 F209 N219 R225	I196-Y221 HydrophobicContact CD1-CE1 4.31Å; I196-Y221 HydrophobicContact CG1-CD1 4.27Å; I196-Y221 HydrophobicContact CG2-CD1 4.17Å; I196-Y221 HydrophobicContact CG2-CE1 4.21Å; L201-Y221 HydrophobicContact CD1-CE1 4.16Å; L201-Y221 HydrophobicContact CD2-CE1 3.93Å; L201-Y221 WeakPolarHBondContact CD2-OH 3.34Å; E205-Y221 HydrophobicContact CB-CE2 4.07Å; E205-Y221 HydrophobicContact CG-CE2 4.33Å; E205-Y221 PolarHBondContact OE1-OH 3.37Å; I208-Y221 HydrophobicContact CB-CD2 4.2Å; I208-Y221 HydrophobicContact CG2-CD2 3.91Å; I208-Y221 HydrophobicContact CG2-CE2 4.49Å; F209-Y221 HydrophobicContact CB-CD2 4.3Å; F209-Y221 HydrophobicContact CB-CG 4.29Å; F209-Y221 HydrophobicContact CD2-CD1 4.29Å; F209-Y221 HydrophobicContact CD2-CG 4.22Å; N219-Y221 PolarHBondContact O-N 3.05Å; N219-Y221 PolarHBondContact OD1-N 2.9Å; Y221-R225 VanDerWaalsContact CE1-NH1 3.26Å; Y221-R225 VanDerWaalsContact CZ-NH1 3.31Å; Y221-R225 PolarHBondContact O-NH1 3.13Å; Y221-R225 PolarHBondContact OH-NH2 3.02Å
222	A	98	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-45.7	169.6	0	0	0	0	0	111.5	Y194 I196 N219 Q220 D224 R225 I226 L379	Y194-A222 HydrophobicContact CD1-CB 3.9Å; Y194-A222 HydrophobicContact CE1-CB 4.47Å; I196-A222 HydrophobicContact CG1-CB 4.11Å; N219-A222 HydrophobicContact CB-CB 4.17Å; N219-A222 VanDerWaalsContact CG-CB 3.47Å; N219-A222 WeakPolarHBondContact ND2-CB 3.06Å; N219-A222 PolarHBondContact O-N 3.17Å; N219-A222 PolarHBondContact OD1-N 2.72Å; Q220-A222 VanDerWaalsContact C-N 3.3Å; Q220-A222 PolarHBondContact O-N 3.06Å; A222-D224 VanDerWaalsContact C-N 3.3Å; A222-D224 PolarHBondContact O-N 2.77Å; A222-R225 PolarHBondContact O-N 2.87Å; A222-R225 VanDerWaalsContact O-N 3.13Å; A222-I226 WeakPolarHBondContact O-CG1 3.45Å; A222-I226 PolarHBondContact O-N 3.3Å; A222-L379 HydrophobicContact CB-CD2 3.97Å
223	S	98.5	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-42	177.8	-178.3	0	0	0	0	112.8	N219 Q220 R225 I226 S264 V265 R268	N219-S223 PolarHBondContact O-N 3.39Å; N219-S223 VanDerWaalsContact O-N 3.12Å; Q220-S223 CarbonylContact O-C 3.55Å; Q220-S223 WeakPolarHBondContact O-CA 3.29Å; Q220-S223 WeakPolarHBondContact O-CB 3.23Å; Q220-S223 PolarHBondContact O-N 2.67Å; S223-R225 PolarHBondContact O-N 2.84Å; S223-R225 VanDerWaalsContact O-N 3.14Å; S223-I226 PolarHBondContact O-N 2.86Å; S223-I226 VanDerWaalsContact O-N 3.1Å; S223-S264 PolarHBondContact OG-OG 2.68Å; S223-V265 WeakPolarHBondContact OG-CG2 3.34Å; S223-R268 PolarHBondContact O-NH2 3.12Å; S223-R268 PolarHBondContact OG-NH1 3.48Å; S223-R268 PolarHBondContact OG-NH2 3.08Å; S223-R268 VanDerWaalsContact OG-NH2 3.14Å
224	D	97.9	Very high	97.5	Very high	63 Å²	63	29.8 Å²	29.8	34%	0.337	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16	-177.4	-69	-14.8	0	0	0	113.1	Q220 A222 S264	Q220-D224 WeakPolarHBondContact CG-OD2 3.2Å; Q220-D224 PolarHBondContact NE2-OD2 2.77Å; Q220-D224 VanDerWaalsContact O-CG 3.3Å; Q220-D224 PolarHBondContact O-N 3.47Å; A222-D224 VanDerWaalsContact C-N 3.3Å; A222-D224 PolarHBondContact O-N 2.77Å; D224-S264 WeakPolarHBondContact OD1-CB 3.39Å; D224-S264 PolarHBondContact OD1-OG 3.1Å
225	R	97.3	Very high	97.4	Very high	96 Å²	96	25 Å²	25	36%	0.362	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-15.3	176	-71.6	166.9	174.4	64.1	8.9	113.6	Y194 Y221 A222 S223	Y194-R225 HydrophobicContact CE1-CB 3.78Å; Y194-R225 HydrophobicContact CE1-CG 4.46Å; Y194-R225 WeakPolarHBondContact OH-CD 3.45Å; Y221-R225 VanDerWaalsContact CE1-NH1 3.26Å; Y221-R225 VanDerWaalsContact CZ-NH1 3.31Å; Y221-R225 PolarHBondContact O-NH1 3.13Å; Y221-R225 PolarHBondContact OH-NH2 3.02Å; A222-R225 PolarHBondContact O-N 2.87Å; A222-R225 VanDerWaalsContact O-N 3.13Å; S223-R225 PolarHBondContact O-N 2.84Å; S223-R225 VanDerWaalsContact O-N 3.14Å
226	I	98.3	Very high	97.4	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	-87.6	129.8	176.9	-65.4	169.3	0	0	0	108.3	P187 Y194 A222 S223 V228 R230 R268 L379	P187-I226 HydrophobicContact CB-CG1 4.18Å; Y194-I226 HydrophobicContact CD1-CD1 4.46Å; Y194-I226 HydrophobicContact CD1-CG1 4.23Å; A222-I226 WeakPolarHBondContact O-CG1 3.45Å; A222-I226 PolarHBondContact O-N 3.3Å; S223-I226 PolarHBondContact O-N 2.86Å; S223-I226 VanDerWaalsContact O-N 3.1Å; I226-V228 PolarHBondContact O-N 3.31Å; I226-R230 HydrophobicContact CG2-CB 4.12Å; I226-R230 HydrophobicContact CG2-CG 4.32Å; I226-R268 PolarHBondContact O-NH2 3.21Å; I226-L379 HydrophobicContact CD1-CB 3.52Å; I226-L379 HydrophobicContact CD1-CG 4.02Å
227	S	98.2	Very high	97.3	Very high	30 Å²	30	27.5 Å²	27.5	21%	0.21	13%	0.129	C	C	.	.			trans	-47.2	134.2	178.2	178	0	0	0	0	111.6	R229 R230 R268	S227-R229 PolarHBondContact O-N 2.73Å; S227-R229 PolarHBondContact OG-N 3.37Å; S227-R229 VanDerWaalsContact OG-N 3.1Å; S227-R230 PolarHBondContact O-N 2.9Å; S227-R230 PolarHBondContact OG-N 3.06Å; S227-R268 PolarHBondContact O-NE 3.4Å
228	V	98.5	Very high	97.1	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.6	172.1	-55.2	0	0	0	0	111.7	P173 P177 I226 L267 R268 H271	P173-V228 HydrophobicContact CG-CG1 4.13Å; P173-V228 HydrophobicContact CG-CG2 3.71Å; P177-V228 HydrophobicContact CG-CG2 3.71Å; I226-V228 PolarHBondContact O-N 3.31Å; V228-L267 HydrophobicContact CB-CB 4.07Å; V228-L267 HydrophobicContact CG1-CB 3.93Å; V228-L267 HydrophobicContact CG1-CD2 4.46Å; V228-R268 HydrophobicContact CB-CB 4.4Å; V228-R268 WeakPolarHBondContact O-CA 3.29Å; V228-H271 WeakPolarHBondContact O-CB 3.49Å
229	R	98.3	Very high	96.9	Very high	50 Å²	50	31.8 Å²	31.8	19%	0.189	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	36.3	172.5	-56.6	-176	76.5	-175.8	5.8	111.3	P177 S180 S227 H271 D275	P177-R229 HydrophobicContact CG-CG 4.2Å; P177-R229 WeakPolarHBondContact O-CD 3.4Å; P177-R229 PolarHBondContact O-NH1 2.94Å; S180-R229 WeakPolarHBondContact CB-O 3.3Å; S180-R229 PolarHBondContact N-O 3.45Å; S180-R229 VanDerWaalsContact N-O 3.12Å; S180-R229 PolarHBondContact OG-O 2.64Å; S227-R229 PolarHBondContact O-N 2.73Å; S227-R229 PolarHBondContact OG-N 3.37Å; S227-R229 VanDerWaalsContact OG-N 3.1Å; R229-H271 HydrophobicContact CG-CB 3.83Å; R229-D275 IonicContact CZ-OD1 2.68Å; R229-D275 IonicContact CZ-OD2 3.23Å; R229-D275 IonicContact NE-OD1 3.82Å; R229-D275 PolarHBondContact NE-OD1 2.81Å; R229-D275 IonicContact NE-OD2 3.12Å; R229-D275 PolarHBondContact NE-OD2 3.38Å; R229-D275 VanDerWaalsContact NH2-CG 3.33Å; R229-D275 IonicContact NH2-OD1 3.79Å; R229-D275 PolarHBondContact NH2-OD1 3.49Å; R229-D275 IonicContact NH2-OD2 2.82Å; R229-D275 PolarHBondContact NH2-OD2 2.84Å
230	R	98.1	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.162	C	C	.	.			trans	-53.9	145.5	-179.6	77.3	-178.8	-174	173.4	-2.9	111.7	I226 S227 R276 E346 L379	I226-R230 HydrophobicContact CG2-CB 4.12Å; I226-R230 HydrophobicContact CG2-CG 4.32Å; S227-R230 PolarHBondContact O-N 2.9Å; S227-R230 PolarHBondContact OG-N 3.06Å; R230-R276 PolarHBondContact O-NH2 3.13Å; R230-E346 IonicContact CZ-OE1 3.46Å; R230-E346 IonicContact CZ-OE2 2.79Å; R230-E346 VanDerWaalsContact NE-CD 3.29Å; R230-E346 IonicContact NE-OE1 2.82Å; R230-E346 PolarHBondContact NE-OE1 3.42Å; R230-E346 VanDerWaalsContact NE-OE1 3.14Å; R230-E346 IonicContact NE-OE2 3.95Å; R230-E346 PolarHBondContact NE-OE2 3.22Å; R230-E346 IonicContact NH1-OE1 3.51Å; R230-E346 VanDerWaalsContact NH2-CD 3.3Å; R230-E346 IonicContact NH2-OE1 3.48Å; R230-E346 PolarHBondContact NH2-OE1 3.1Å; R230-E346 IonicContact NH2-OE2 3.44Å; R230-E346 PolarHBondContact NH2-OE2 3.4Å; R230-L379 PolarHBondContact NH1-O 3.27Å; R230-L379 PolarHBondContact NH2-O 3.41Å
231	Y	98	Very high	96.6	Very high	62 Å²	62	35.4 Å²	35.4	24%	0.243	18%	0.178	C	C	.	.			trans	-70.3	137.9	173.7	171.3	-105.8	0	0	0	109.8	D181 E182 E189 G190 P233	D181-Y231 VanDerWaalsContact C-CD2 3.48Å; D181-Y231 VanDerWaalsContact O-CB 3.27Å; D181-Y231 WeakPolarHBondContact O-CB 3.45Å; D181-Y231 VanDerWaalsContact O-CG 3.28Å; E182-Y231 HydrophobicContact CB-CE1 4.07Å; E182-Y231 HydrophobicContact CB-CE2 3.94Å; E189-Y231 WeakPolarHBondContact OE2-CB 3.49Å; E189-Y231 PolarHBondContact OE2-N 3.27Å; G190-Y231 WeakPolarHBondContact CA-O 3.42Å; G190-Y231 PolarHBondContact N-O 2.89Å; Y231-P233 HydrophobicContact CE1-CB 4.41Å
232	L	97.6	Very high	96.4	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.2	C	C	.	.			trans	-129.3	133	170	-68.8	177.8	0	0	0	106.8	Y235 E346 M381	L232-Y235 HydrophobicContact CB-CE2 4.13Å; L232-Y235 HydrophobicContact CD2-CE2 4.49Å; L232-E346 HydrophobicContact CD1-CB 4.03Å; L232-M381 HydrophobicContact CD1-CE 3.71Å; L232-M381 HydrophobicContact CD2-CB 4.44Å; L232-M381 HydrophobicContact CD2-CE 4.09Å
233	P	95.7	Very high	95.8	Very high	37 Å²	37	39.9 Å²	39.9	24%	0.24	21%	0.205	C	C	.	.			trans	-64.5	163.1	176.5	29.3	-36	0	0	0	111.4	Y231 Y235	Y231-P233 HydrophobicContact CE1-CB 4.41Å; P233-Y235 WeakPolarHBondContact CD-OH 3.34Å; P233-Y235 HydrophobicContact CG-CD1 4.26Å; P233-Y235 HydrophobicContact CG-CE1 3.62Å; P233-Y235 HydrophobicContact CG-CE2 3.99Å; P233-Y235 VanDerWaalsContact CG-CZ 3.47Å; P233-Y235 WeakPolarHBondContact O-CD2 3.36Å; P233-Y235 WeakPolarHBondContact O-CE2 3.47Å; P233-Y235 PolarHBondContact O-N 3.18Å; P233-Y235 VanDerWaalsContact O-N 3.1Å
234	D	95.7	Very high	95.3	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.294	25%	0.245	S	C	.	.			trans	-74.9	98.8	171.8	-172.7	0.6	0	0	0	110.3	R236	D234-R236 VanDerWaalsContact C-N 3.28Å; D234-R236 PolarHBondContact O-N 3.12Å; D234-R236 WeakPolarHBondContact OD1-CB 3.49Å; D234-R236 WeakPolarHBondContact OD1-CG 3.37Å; D234-R236 IonicContact OD1-CZ 2.71Å; D234-R236 PolarHBondContact OD1-N 3.25Å; D234-R236 IonicContact OD1-NE 2.88Å; D234-R236 PolarHBondContact OD1-NE 2.8Å; D234-R236 IonicContact OD1-NH2 3.94Å; D234-R236 IonicContact OD2-CZ 2.75Å; D234-R236 IonicContact OD2-NE 3.87Å; D234-R236 PolarHBondContact OD2-NE 3.14Å; D234-R236 IonicContact OD2-NH2 2.67Å; D234-R236 PolarHBondContact OD2-NH2 2.89Å
235	Y	94.6	Very high	95	Very high	22 Å²	22	47.8 Å²	47.8	9%	0.086	24%	0.238	C	C	.	.			trans	-77.3	-6	-179	-64.3	-73.1	0	0	0	114.4	L232 P233 T348 M381 F383	L232-Y235 HydrophobicContact CB-CE2 4.13Å; L232-Y235 HydrophobicContact CD2-CE2 4.49Å; P233-Y235 WeakPolarHBondContact CD-OH 3.34Å; P233-Y235 HydrophobicContact CG-CD1 4.26Å; P233-Y235 HydrophobicContact CG-CE1 3.62Å; P233-Y235 HydrophobicContact CG-CE2 3.99Å; P233-Y235 VanDerWaalsContact CG-CZ 3.47Å; P233-Y235 WeakPolarHBondContact O-CD2 3.36Å; P233-Y235 WeakPolarHBondContact O-CE2 3.47Å; P233-Y235 PolarHBondContact O-N 3.18Å; P233-Y235 VanDerWaalsContact O-N 3.1Å; Y235-T348 HydrophobicContact CD2-CG2 3.78Å; Y235-T348 HydrophobicContact CE2-CG2 4.24Å; Y235-M381 HydrophobicContact CE2-CG 4Å; Y235-F383 HydrophobicContact CD1-CB 4.23Å; Y235-F383 AromaticContact CD1-CD1 3.39Å; Y235-F383 HydrophobicContact CD1-CD1 3.39Å; Y235-F383 HydrophobicContact CD1-CD2 4.13Å; Y235-F383 AromaticContact CD1-CE1 3.66Å; Y235-F383 HydrophobicContact CD1-CE1 3.66Å; Y235-F383 HydrophobicContact CD1-CE2 4.35Å; Y235-F383 AromaticContact CD1-CG 3.65Å; Y235-F383 HydrophobicContact CD1-CG 3.65Å; Y235-F383 HydrophobicContact CD1-CZ 4.13Å; Y235-F383 AromaticContact CE1-CD1 3.29Å; Y235-F383 HydrophobicContact CE1-CD1 3.29Å; Y235-F383 AromaticContact CE1-CE1 3.51Å; Y235-F383 HydrophobicContact CE1-CE1 3.51Å; Y235-F383 HydrophobicContact CE1-CG 4.01Å; Y235-F383 HydrophobicContact CE1-CZ 4.37Å; Y235-F383 HydrophobicContact CG-CD1 4.5Å; Y235-F383 HydrophobicContact CG-CG 4.46Å
236	R	95	Very high	94.4	Very high	42 Å²	42	44.7 Å²	44.7	16%	0.158	24%	0.236	C	C	.	.			trans	-61.6	147	179.7	-64.7	176.8	-60.8	158.8	-0	110	D234 C240 K241 T349	D234-R236 VanDerWaalsContact C-N 3.28Å; D234-R236 PolarHBondContact O-N 3.12Å; D234-R236 WeakPolarHBondContact OD1-CB 3.49Å; D234-R236 WeakPolarHBondContact OD1-CG 3.37Å; D234-R236 IonicContact OD1-CZ 2.71Å; D234-R236 PolarHBondContact OD1-N 3.25Å; D234-R236 IonicContact OD1-NE 2.88Å; D234-R236 PolarHBondContact OD1-NE 2.8Å; D234-R236 IonicContact OD1-NH2 3.94Å; D234-R236 IonicContact OD2-CZ 2.75Å; D234-R236 IonicContact OD2-NE 3.87Å; D234-R236 PolarHBondContact OD2-NE 3.14Å; D234-R236 IonicContact OD2-NH2 2.67Å; D234-R236 PolarHBondContact OD2-NH2 2.89Å; R236-C240 HydrophobicContact CB-CB 3.94Å; R236-C240 HydrophobicContact CG-CB 4.42Å; R236-C240 PolarHBondContact NH1-O 2.82Å; R236-K241 HydrophobicContact CB-CG 3.92Å; R236-K241 WeakPolarHBondContact O-CE 3.48Å; R236-K241 WeakPolarHBondContact O-CG 3.41Å; R236-T349 WeakPolarHBondContact CD-O 3.36Å
237	E	93.8	Very high	93.9	Very high	54 Å²	54	50.4 Å²	50.4	25%	0.252	28%	0.277	S	S	.	.			trans	-119.2	154.8	-179.4	-69	178.4	-173.7	0	0	111.3	T239 C240 A386 Y417	E237-T239 PolarHBondContact O-N 3.37Å; E237-C240 WeakPolarHBondContact O-CB 3.27Å; E237-C240 PolarHBondContact O-N 3.21Å; E237-A386 PolarHBondContact OE2-N 2.79Å; E237-Y417 HydrophobicContact CB-CE1 3.7Å; E237-Y417 WeakPolarHBondContact O-CE1 3.13Å
238	G	94.4	Very high	93.5	Very high	40 Å²	40	56 Å²	56	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	-122	172.5	0	0	0	0	0	115.4	C240 K241 Y417	G238-C240 PolarHBondContact O-N 3.46Å; G238-K241 PolarHBondContact O-N 2.84Å; G238-Y417 WeakPolarHBondContact CA-OH 3.26Å
239	T	93.1	Very high	93.5	Very high	54 Å²	54	56.7 Å²	56.7	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-27	-177.2	56.8	0	0	0	0	112.4	E237 K241 V242 N243 Y417	E237-T239 PolarHBondContact O-N 3.37Å; T239-K241 PolarHBondContact O-N 3.13Å; T239-K241 VanDerWaalsContact O-N 3.11Å; T239-V242 WeakPolarHBondContact O-CG2 3.12Å; T239-V242 PolarHBondContact O-N 2.95Å; T239-N243 WeakPolarHBondContact O-CB 3.08Å; T239-N243 PolarHBondContact O-N 3.21Å; T239-N243 PolarHBondContact O-ND2 2.95Å; T239-N243 PolarHBondContact O-OD1 2.49Å; T239-Y417 HydrophobicContact CG2-CD2 4.2Å; T239-Y417 WeakPolarHBondContact OG1-CB 3.35Å; T239-Y417 WeakPolarHBondContact OG1-CD2 3.49Å; T239-Y417 VanDerWaalsContact OG1-CG 3.3Å
240	C	95.5	Very high	93.5	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-26.4	178	-59	0	0	0	0	113.8	R236 E237 G238 C473	R236-C240 HydrophobicContact CB-CB 3.94Å; R236-C240 HydrophobicContact CG-CB 4.42Å; R236-C240 PolarHBondContact NH1-O 2.82Å; E237-C240 WeakPolarHBondContact O-CB 3.27Å; E237-C240 PolarHBondContact O-N 3.21Å; G238-C240 PolarHBondContact O-N 3.46Å; C240-C473 VanDerWaalsContact CA-SG 3.51Å; C240-C473 HydrophobicContact CB-CB 3.56Å; C240-C473 WeakPolarHBondContact CB-SG 3.19Å; C240-C473 WeakPolarHBondContact SG-CA 3.24Å; C240-C473 WeakPolarHBondContact SG-CB 3.35Å; C240-C473 CovalentContact SG-SG 2.04Å; C240-C473 PolarHBondContact SG-SG 2.98Å
241	K	94.4	Very high	93.5	Very high	114 Å²	114	56.5 Å²	56.5	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-74.5	-30.6	175.4	-69.7	-165.2	-179	-167.1	0	113.4	R236 G238 T239	R236-K241 HydrophobicContact CB-CG 3.92Å; R236-K241 WeakPolarHBondContact O-CE 3.48Å; R236-K241 WeakPolarHBondContact O-CG 3.41Å; G238-K241 PolarHBondContact O-N 2.84Å; T239-K241 PolarHBondContact O-N 3.13Å; T239-K241 VanDerWaalsContact O-N 3.11Å
242	V	92.9	Very high	93.5	Very high	83 Å²	83	53.6 Å²	53.6	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-110.4	-9	-171.1	-61.8	0	0	0	0	113.5	I101 T239 Q244	I101-V242 HydrophobicContact CD1-CG2 4.23Å; T239-V242 WeakPolarHBondContact O-CG2 3.12Å; T239-V242 PolarHBondContact O-N 2.95Å; V242-Q244 PolarHBondContact O-N 2.81Å
243	N	86.3	Confident	93.6	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-57.5	128.7	177.8	-79.3	-14.2	0	0	0	111.1	H98 T239 Y245	H98-N243 PolarHBondContact CD2-OD1 3.46Å; H98-N243 PolarHBondContact CE1-ND2 3.44Å; H98-N243 VanDerWaalsContact CE1-ND2 3.26Å; H98-N243 PolarHBondContact CE1-OD1 2.89Å; H98-N243 VanDerWaalsContact CE1-OD1 3.3Å; H98-N243 VanDerWaalsContact CG-OD1 3.3Å; H98-N243 PolarHBondContact ND1-OD1 3.39Å; H98-N243 PolarHBondContact NE2-ND2 3.27Å; H98-N243 PolarHBondContact NE2-OD1 3.28Å; T239-N243 WeakPolarHBondContact O-CB 3.08Å; T239-N243 PolarHBondContact O-N 3.21Å; T239-N243 PolarHBondContact O-ND2 2.95Å; T239-N243 PolarHBondContact O-OD1 2.49Å; N243-Y245 HydrophobicContact CB-CE1 4.42Å; N243-Y245 HydrophobicContact CB-CE2 4.42Å
244	Q	88.2	Confident	93.7	Very high	180 Å²	180	51.6 Å²	51.6	84%	0.841	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-101.5	117.9	171.5	-63.8	-177	4.4	0	0	108.9	V242	V242-Q244 PolarHBondContact O-N 2.81Å
245	Y	91.3	Very high	93.9	Very high	49 Å²	49	49 Å²	49	19%	0.192	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-85.7	156.4	174	-55.9	-69.6	0	0	0	110.2	N243 E353 P354 D357	N243-Y245 HydrophobicContact CB-CE1 4.42Å; N243-Y245 HydrophobicContact CB-CE2 4.42Å; Y245-E353 HydrophobicContact CD2-CB 3.44Å; Y245-E353 VanDerWaalsContact CD2-CB 3.44Å; Y245-E353 HydrophobicContact CD2-CG 4.45Å; Y245-E353 HydrophobicContact CE2-CB 3.94Å; Y245-E353 HydrophobicContact CG-CB 4.05Å; Y245-P354 HydrophobicContact CE1-CB 4.05Å; Y245-P354 HydrophobicContact CE2-CB 4.4Å; Y245-P354 WeakPolarHBondContact OH-CB 3.41Å; Y245-D357 HydrophobicContact CD1-CB 3.69Å; Y245-D357 HydrophobicContact CE1-CB 4.31Å; Y245-D357 HydrophobicContact CG-CB 4.45Å
246	G	85.5	Confident	94.1	Very high	31 Å²	31	48 Å²	48	32%	0.32	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.2	151.7	178.5	0	0	0	0	0	112.2	N248 L249	G246-N248 VanDerWaalsContact C-N 3.28Å; G246-N248 PolarHBondContact O-N 2.89Å; G246-L249 WeakPolarHBondContact O-CG 3.33Å
247	S	86	Confident	94.2	Very high	125 Å²	125	46.6 Å²	46.6	87%	0.874	27%	0.268	S	S	*	.	S	Bend	trans	-72.6	-21.1	177.5	53.6	0	0	0	0	113.6	L249	S247-L249 PolarHBondContact O-N 2.87Å
248	N	91.3	Very high	94.4	Very high	147 Å²	147	44.3 Å²	44.3	79%	0.786	26%	0.257	S	S	*	.			trans	-101.2	54.1	-175.9	-168.5	29.6	0	0	0	112.3	G246	G246-N248 VanDerWaalsContact C-N 3.28Å; G246-N248 PolarHBondContact O-N 2.89Å
249	L	97.4	Very high	94.6	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.105	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-78.3	146.3	173.1	-63.1	178.5	0	0	0	110.8	G246 S247 L281 E353 L356 D357 A360	G246-L249 WeakPolarHBondContact O-CG 3.33Å; S247-L249 PolarHBondContact O-N 2.87Å; L249-L281 HydrophobicContact CB-CD1 4.37Å; L249-L281 HydrophobicContact CB-CD2 3.68Å; L249-L281 HydrophobicContact CD1-CD1 3.91Å; L249-E353 HydrophobicContact CD1-CB 4.12Å; L249-L356 HydrophobicContact CB-CB 4.21Å; L249-L356 HydrophobicContact CD1-CB 4.27Å; L249-L356 HydrophobicContact CD2-CB 4.47Å; L249-D357 HydrophobicContact CD2-CB 4.09Å; L249-A360 HydrophobicContact CD2-CB 4.14Å
250	P	98	Very high	94.8	Very high	21 Å²	21	41.9 Å²	41.9	14%	0.136	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-68.9	150.1	179.6	29.4	-36.8	0	0	0	112	K336 V337 L356 A360	P250-K336 HydrophobicContact CB-CB 4Å; P250-K336 HydrophobicContact CB-CD 4.26Å; P250-V337 HydrophobicContact CB-CG2 3.91Å; P250-V337 HydrophobicContact CG-CG2 3.59Å; P250-L356 HydrophobicContact CG-CB 4.4Å; P250-L356 HydrophobicContact CG-CD2 4.47Å; P250-L356 WeakPolarHBondContact O-CD1 3.41Å; P250-A360 HydrophobicContact CG-CB 4.48Å
251	S	98.1	Very high	94.9	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-70.3	141.7	175.1	65.5	0	0	0	0	112	L281 K336 V337	S251-L281 CarbonylContact C-O 3.43Å; S251-L281 WeakPolarHBondContact CA-O 3.44Å; S251-K336 PolarHBondContact O-N 3.09Å; S251-V337 PolarHBondContact O-N 3.02Å
252	A	98.8	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128	-175.9	0	0	0	0	0	111.6	I254 L281 Q283 V337 V339 L352 L356	A252-I254 HydrophobicContact CB-CD1 4.23Å; A252-L281 PolarHBondContact N-O 2.78Å; A252-Q283 WeakPolarHBondContact O-CB 3.29Å; A252-Q283 PolarHBondContact O-N 3.26Å; A252-V337 WeakPolarHBondContact CA-O 3.37Å; A252-V339 HydrophobicContact CB-CG2 4Å; A252-L352 HydrophobicContact CB-CD1 4.24Å; A252-L352 HydrophobicContact CB-CD2 4.47Å; A252-L356 HydrophobicContact CB-CD1 4.25Å; A252-L356 HydrophobicContact CB-CD2 4.01Å
253	S	98.9	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.2	163	-69.4	0	0	0	0	109.1	E284 T334 G335 V337 V339	S253-E284 WeakPolarHBondContact OG-CG 3.47Å; S253-E284 PolarHBondContact OG-OE1 3.12Å; S253-T334 PolarHBondContact OG-N 2.99Å; S253-G335 VanDerWaalsContact OG-CA 3.29Å; S253-G335 WeakPolarHBondContact OG-CA 3.43Å; S253-G335 PolarHBondContact OG-N 2.62Å; S253-V337 PolarHBondContact N-O 3.19Å; S253-V339 PolarHBondContact O-N 2.9Å
254	I	98.9	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	178.3	-47.4	-57.2	0	0	0	108.4	A252 I256 V273 L282 E284 I285 I286 V339 L341 W351	A252-I254 HydrophobicContact CB-CD1 4.23Å; I254-I256 HydrophobicContact CG2-CD1 4.48Å; I254-I256 HydrophobicContact CG2-CG1 4.21Å; I254-V273 HydrophobicContact CB-CG1 4.32Å; I254-V273 HydrophobicContact CG1-CG1 3.76Å; I254-V273 HydrophobicContact CG2-CG1 4.24Å; I254-V273 HydrophobicContact CG2-CG2 4.21Å; I254-L282 HydrophobicContact CD1-CD1 4.12Å; I254-L282 HydrophobicContact CG1-CD1 3.36Å; I254-E284 PolarHBondContact N-O 3.43Å; I254-I285 HydrophobicContact CB-CG1 4.29Å; I254-I285 HydrophobicContact CG1-CG1 4.5Å; I254-I285 CarbonylContact O-C 3.6Å; I254-I285 WeakPolarHBondContact O-CA 3.41Å; I254-I286 PolarHBondContact O-N 3.36Å; I254-V339 CarbonylContact C-O 3.59Å; I254-V339 WeakPolarHBondContact CA-O 3.2Å; I254-V339 HydrophobicContact CD1-CB 3.54Å; I254-V339 HydrophobicContact CD1-CG1 4.04Å; I254-V339 HydrophobicContact CD1-CG2 3.74Å; I254-L341 HydrophobicContact CG2-CD1 3.67Å; I254-L341 HydrophobicContact CG2-CG 4.22Å; I254-W351 HydrophobicContact CD1-CH2 4.06Å; I254-W351 HydrophobicContact CD1-CZ2 4.41Å
255	I	98.9	Very high	96.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.3	-177.8	-61.3	161.4	0	0	0	108.2	I286 V288 A330 L338 V339 F340 L341	I255-I286 WeakPolarHBondContact CA-O 3.43Å; I255-I286 HydrophobicContact CG1-CB 4.35Å; I255-V288 HydrophobicContact CG2-CG2 4.15Å; I255-A330 HydrophobicContact CD1-CB 4.26Å; I255-L338 HydrophobicContact CD1-CB 4.4Å; I255-L338 HydrophobicContact CD1-CD2 4.07Å; I255-V339 PolarHBondContact N-O 2.93Å; I255-F340 HydrophobicContact CB-CD1 3.86Å; I255-F340 HydrophobicContact CB-CE1 4.05Å; I255-F340 HydrophobicContact CD1-CD1 4.13Å; I255-F340 HydrophobicContact CD1-CE1 3.51Å; I255-F340 HydrophobicContact CD1-CZ 3.79Å; I255-F340 HydrophobicContact CG1-CE1 4.4Å; I255-F340 HydrophobicContact CG2-CD1 3.93Å; I255-F340 HydrophobicContact CG2-CE1 3.96Å; I255-L341 PolarHBondContact O-N 3.44Å
256	I	98.9	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	107.2	177.9	-55.3	177.4	0	0	0	107.9	I254 L266 V270 I285 I286 L287 V288 L341	I254-I256 HydrophobicContact CG2-CD1 4.48Å; I254-I256 HydrophobicContact CG2-CG1 4.21Å; I256-L266 HydrophobicContact CG2-CD1 4.31Å; I256-V270 HydrophobicContact CD1-CG2 4.35Å; I256-I285 HydrophobicContact CD1-CG2 4.23Å; I256-I286 PolarHBondContact N-O 3.1Å; I256-L287 HydrophobicContact CB-CD2 3.73Å; I256-L287 HydrophobicContact CD1-CD2 4.12Å; I256-L287 HydrophobicContact CG1-CD2 4.33Å; I256-L287 HydrophobicContact CG2-CD2 4.25Å; I256-L287 WeakPolarHBondContact O-CA 3.48Å; I256-V288 PolarHBondContact O-N 2.95Å; I256-L341 WeakPolarHBondContact CA-O 3.37Å; I256-L341 HydrophobicContact CG1-CB 4.25Å
257	C	98.4	Very high	97.5	Very high	12 Å²	12	19.7 Å²	19.7	8%	0.081	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.7	174	-59.9	0	0	0	0	109.3	V288 L322 A325 R326	C257-V288 HydrophobicContact CB-CB 4.46Å; C257-L322 HydrophobicContact CB-CD1 4.07Å; C257-A325 HydrophobicContact CB-CB 4.14Å; C257-A325 VanDerWaalsContact SG-C 3.55Å; C257-R326 PolarHBondContact SG-N 3.15Å
258	F	98.3	Very high	98.1	Very high	6 Å²	6	14 Å²	14	3%	0.026	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.2	178.6	68.2	-81.7	0	0	0	111.6	E261 L266 L287 V288 D289 D290 L297 L301	F258-E261 HydrophobicContact CB-CB 4.19Å; F258-L266 HydrophobicContact CD1-CD1 4.39Å; F258-L266 HydrophobicContact CD1-CD2 4.45Å; F258-L266 HydrophobicContact CD2-CD2 4.15Å; F258-L266 HydrophobicContact CE2-CD2 4.18Å; F258-L266 HydrophobicContact CG-CD1 4.4Å; F258-L266 HydrophobicContact CG-CD2 4.28Å; F258-L266 HydrophobicContact CZ-CD2 4.35Å; F258-L287 HydrophobicContact CE1-CB 3.88Å; F258-V288 WeakPolarHBondContact CD1-O 3.46Å; F258-V288 PolarHBondContact N-O 2.97Å; F258-D289 HydrophobicContact CE1-CB 4.02Å; F258-D289 HydrophobicContact CE2-CB 3.98Å; F258-D289 HydrophobicContact CZ-CB 3.5Å; F258-D290 PolarHBondContact O-N 3.14Å; F258-L297 HydrophobicContact CD2-CD1 4.13Å; F258-L297 HydrophobicContact CD2-CD2 4.31Å; F258-L297 HydrophobicContact CE2-CB 4.22Å; F258-L297 HydrophobicContact CE2-CD1 4.08Å; F258-L297 HydrophobicContact CE2-CD2 3.96Å; F258-L297 HydrophobicContact CE2-CG 4.3Å; F258-L301 HydrophobicContact CE1-CD2 4.45Å; F258-L301 HydrophobicContact CE2-CD2 4Å; F258-L301 HydrophobicContact CZ-CD2 3.54Å
259	H	97.4	Very high	98.4	Very high	23 Å²	23	7 Å²	7	11%	0.106	4%	0.04	C	C	.	.	S	Bend	trans	-141.5	120.1	166.4	174.7	85.5	0	0	0	107.8	E261 D290 F291 S292 R319 Y486	H259-E261 PolarHBondContact O-N 3.44Å; H259-E261 VanDerWaalsContact O-N 3.12Å; H259-D290 PolarHBondContact ND1-O 2.96Å; H259-F291 PolarHBondContact CE1-O 2.9Å; H259-F291 VanDerWaalsContact CE1-O 3.3Å; H259-F291 PolarHBondContact ND1-O 2.81Å; H259-S292 WeakPolarHBondContact CA-OG 3.44Å; H259-R319 VanDerWaalsContact CB-NH2 3.27Å; H259-R319 PolarHBondContact CD2-NH1 2.87Å; H259-R319 PolarHBondContact CD2-NH2 3.3Å; H259-R319 PolarHBondContact CE1-NH1 3.47Å; H259-R319 VanDerWaalsContact ND1-CZ 3.3Å; H259-R319 PolarHBondContact ND1-NE 3.49Å; H259-R319 PolarHBondContact ND1-NH1 2.88Å; H259-R319 PolarHBondContact NE2-NH1 3.24Å; H259-Y486 AromaticContact CD2-CD1 3.95Å; H259-Y486 WeakPolarHBondContact O-CE1 3.32Å
260	N	97.5	Very high	98.5	Very high	20 Å²	20	6.1 Å²	6.1	11%	0.107	4%	0.035	C	C	.	.	S	Bend	trans	56.9	25.4	176.8	-74.1	-8.4	0	0	0	115.5	S292 D293 R294 L297	N260-S292 PolarHBondContact N-OG 3.37Å; N260-S292 WeakPolarHBondContact OD1-CA 3.35Å; N260-S292 WeakPolarHBondContact OD1-CB 3.4Å; N260-D293 VanDerWaalsContact CG-OD1 3.27Å; N260-D293 PolarHBondContact ND2-OD1 3.16Å; N260-D293 PolarHBondContact OD1-N 3.21Å; N260-D293 PolarHBondContact OD1-OD1 3.42Å; N260-D293 VanDerWaalsContact OD1-OD1 3.06Å; N260-R294 HydrophobicContact CB-CG 4.2Å; N260-R294 VanDerWaalsContact O-CZ 3.3Å; N260-R294 PolarHBondContact O-NH1 3.4Å; N260-R294 PolarHBondContact OD1-N 2.95Å; N260-L297 VanDerWaalsContact CA-CD1 3.43Å
261	E	98.4	Very high	98.5	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.009	3%	0.029	C	C	.	.			trans	-62.5	147.5	178.4	-169.2	62.5	-81.2	0	0	112.1	Y218 F258 H259 V265 L266 H296 S343 H344 R481	Y218-E261 PolarHBondContact OH-OE1 3.29Å; F258-E261 HydrophobicContact CB-CB 4.19Å; H259-E261 PolarHBondContact O-N 3.44Å; H259-E261 VanDerWaalsContact O-N 3.12Å; E261-V265 HydrophobicContact CG-CB 4.42Å; E261-V265 HydrophobicContact CG-CG1 4.27Å; E261-L266 HydrophobicContact CB-CB 4.33Å; E261-L266 HydrophobicContact CG-CB 3.95Å; E261-H296 PolarHBondContact O-NE2 2.79Å; E261-S343 WeakPolarHBondContact OE2-CB 3.32Å; E261-S343 PolarHBondContact OE2-OG 2.82Å; E261-H344 IonicContact OE2-CG 2.62Å; E261-H344 IonicContact OE2-ND1 3.4Å; E261-H344 PolarHBondContact OE2-ND1 3.41Å; E261-R481 IonicContact OE1-NH2 3.22Å; E261-R481 IonicContact OE2-NH2 3.4Å; E261-R481 PolarHBondContact OE2-NH2 3.43Å; E261-R481 VanDerWaalsContact OE2-NH2 3.08Å
262	A	98.5	Very high	98.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.			trans	-63.1	142.9	175	0	0	0	0	0	111.5	Y218 Q220 S264 V265 L266	Y218-A262 HydrophobicContact CE2-CB 4.37Å; Y218-A262 VanDerWaalsContact OH-CB 3.25Å; Y218-A262 WeakPolarHBondContact OH-CB 3.02Å; Q220-A262 HydrophobicContact CG-CB 3.8Å; A262-S264 PolarHBondContact O-N 3.45Å; A262-V265 HydrophobicContact CB-CB 4.19Å; A262-V265 HydrophobicContact CB-CG2 4.02Å; A262-V265 PolarHBondContact O-N 3.26Å; A262-L266 PolarHBondContact O-N 3.1Å
263	W	98.5	Very high	98.6	Very high	8 Å²	8	4 Å²	4	3%	0.03	2%	0.021	C	C	.	.	H	α-helix	trans	-53.9	-57.7	-177.6	179.3	-105.9	0	0	0	112.2	I166 L171 S172 P173 V265 L266 L267 H296 A300 L301 Y304	I166-W263 HydrophobicContact CD1-CH2 4.46Å; I166-W263 HydrophobicContact CG1-CH2 4.42Å; L171-W263 HydrophobicContact CB-CD2 4.46Å; L171-W263 HydrophobicContact CB-CZ2 4.41Å; L171-W263 HydrophobicContact CD1-CD2 4.05Å; L171-W263 HydrophobicContact CD1-CE3 4.03Å; L171-W263 HydrophobicContact CD1-CH2 4.21Å; L171-W263 HydrophobicContact CD1-CZ2 4.25Å; L171-W263 HydrophobicContact CD1-CZ3 4.11Å; L171-W263 HydrophobicContact CD2-CG 4.33Å; S172-W263 VanDerWaalsContact O-CD1 3.27Å; S172-W263 PolarHBondContact O-NE1 2.97Å; P173-W263 PolarHBondContact O-NE1 2.98Å; W263-V265 VanDerWaalsContact C-N 3.26Å; W263-V265 PolarHBondContact O-N 2.86Å; W263-L266 PolarHBondContact O-N 3.33Å; W263-L267 HydrophobicContact CD2-CD1 3.77Å; W263-L267 HydrophobicContact CD2-CD2 4.1Å; W263-L267 VanDerWaalsContact CE2-CD2 3.46Å; W263-L267 HydrophobicContact CE3-CD1 3.86Å; W263-L267 HydrophobicContact CG-CD1 4.35Å; W263-L267 HydrophobicContact CG-CD2 4.41Å; W263-L267 HydrophobicContact CH2-CD1 4.22Å; W263-L267 HydrophobicContact CZ2-CD1 4.11Å; W263-L267 HydrophobicContact CZ2-CD2 3.76Å; W263-L267 HydrophobicContact CZ3-CD1 4.09Å; W263-L267 WeakPolarHBondContact O-CB 3.2Å; W263-L267 WeakPolarHBondContact O-CD1 3.4Å; W263-L267 PolarHBondContact O-N 2.81Å; W263-H296 HydrophobicContact CE3-CB 4.22Å; W263-H296 VanDerWaalsContact CZ3-O 3.23Å; W263-H296 WeakPolarHBondContact CZ3-O 3.36Å; W263-A300 WeakPolarHBondContact CH2-O 3.28Å; W263-A300 HydrophobicContact CZ3-CB 4.48Å; W263-L301 HydrophobicContact CZ3-CB 4.25Å; W263-L301 HydrophobicContact CZ3-CD1 3.98Å; W263-Y304 HydrophobicContact CH2-CD2 4.32Å; W263-Y304 HydrophobicContact CH2-CG 4.02Å; W263-Y304 AromaticContact CZ2-CD2 3.82Å; W263-Y304 HydrophobicContact CZ2-CD2 3.82Å; W263-Y304 HydrophobicContact CZ2-CE2 4.49Å; W263-Y304 AromaticContact CZ2-CG 3.94Å; W263-Y304 HydrophobicContact CZ2-CG 3.94Å
264	S	98.6	Very high	98.6	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.032	C	C	.	.	H	α-helix	trans	-59	-37.3	-178.5	59.3	0	0	0	0	113	S223 D224 A262 R268	S223-S264 PolarHBondContact OG-OG 2.68Å; D224-S264 WeakPolarHBondContact OD1-CB 3.39Å; D224-S264 PolarHBondContact OD1-OG 3.1Å; A262-S264 PolarHBondContact O-N 3.45Å; S264-R268 VanDerWaalsContact O-CB 3.24Å; S264-R268 WeakPolarHBondContact O-CB 3.46Å; S264-R268 PolarHBondContact O-N 2.98Å
265	V	98.8	Very high	98.5	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-71.6	-49.2	-177.3	176.7	0	0	0	0	111.3	Y218 S223 E261 A262 W263 L267 R268 S269 H344 I479	Y218-V265 HydrophobicContact CE2-CG2 3.7Å; S223-V265 WeakPolarHBondContact OG-CG2 3.34Å; E261-V265 HydrophobicContact CG-CB 4.42Å; E261-V265 HydrophobicContact CG-CG1 4.27Å; A262-V265 HydrophobicContact CB-CB 4.19Å; A262-V265 HydrophobicContact CB-CG2 4.02Å; A262-V265 PolarHBondContact O-N 3.26Å; W263-V265 VanDerWaalsContact C-N 3.26Å; W263-V265 PolarHBondContact O-N 2.86Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.19Å; V265-R268 PolarHBondContact O-N 2.97Å; V265-S269 PolarHBondContact O-N 2.82Å; V265-S269 PolarHBondContact O-OG 2.82Å; V265-S269 VanDerWaalsContact O-OG 3.13Å; V265-H344 HydrophobicContact CG1-CB 3.52Å; V265-I479 HydrophobicContact CG1-CD1 4.06Å; V265-I479 HydrophobicContact CG2-CD1 4.37Å
266	L	98.8	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.4	179.4	60.7	0	0	0	111.1	I256 F258 E261 A262 W263 R268 S269 V270 L287 L297 L301	I256-L266 HydrophobicContact CG2-CD1 4.31Å; F258-L266 HydrophobicContact CD1-CD1 4.39Å; F258-L266 HydrophobicContact CD1-CD2 4.45Å; F258-L266 HydrophobicContact CD2-CD2 4.15Å; F258-L266 HydrophobicContact CE2-CD2 4.18Å; F258-L266 HydrophobicContact CG-CD1 4.4Å; F258-L266 HydrophobicContact CG-CD2 4.28Å; F258-L266 HydrophobicContact CZ-CD2 4.35Å; E261-L266 HydrophobicContact CB-CB 4.33Å; E261-L266 HydrophobicContact CG-CB 3.95Å; A262-L266 PolarHBondContact O-N 3.1Å; W263-L266 PolarHBondContact O-N 3.33Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.06Å; L266-S269 WeakPolarHBondContact O-CB 3.35Å; L266-S269 PolarHBondContact O-N 2.93Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.23Å; L266-L287 HydrophobicContact CD1-CD2 4.48Å; L266-L297 HydrophobicContact CD2-CD2 3.81Å; L266-L301 HydrophobicContact CD2-CD1 3.88Å; L266-L301 HydrophobicContact CD2-CD2 4.15Å
267	L	98.7	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-41.8	176.9	-90.1	59.4	0	0	0	111.5	P173 V228 W263 V265 V270 H271 L301 Y304 M305	P173-L267 HydrophobicContact CG-CD2 4.26Å; V228-L267 HydrophobicContact CB-CB 4.07Å; V228-L267 HydrophobicContact CG1-CB 3.93Å; V228-L267 HydrophobicContact CG1-CD2 4.46Å; W263-L267 HydrophobicContact CD2-CD1 3.77Å; W263-L267 HydrophobicContact CD2-CD2 4.1Å; W263-L267 VanDerWaalsContact CE2-CD2 3.46Å; W263-L267 HydrophobicContact CE3-CD1 3.86Å; W263-L267 HydrophobicContact CG-CD1 4.35Å; W263-L267 HydrophobicContact CG-CD2 4.41Å; W263-L267 HydrophobicContact CH2-CD1 4.22Å; W263-L267 HydrophobicContact CZ2-CD1 4.11Å; W263-L267 HydrophobicContact CZ2-CD2 3.76Å; W263-L267 HydrophobicContact CZ3-CD1 4.09Å; W263-L267 WeakPolarHBondContact O-CB 3.2Å; W263-L267 WeakPolarHBondContact O-CD1 3.4Å; W263-L267 PolarHBondContact O-N 2.81Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.19Å; L267-V270 PolarHBondContact O-N 2.85Å; L267-H271 WeakPolarHBondContact O-CB 3.2Å; L267-H271 PolarHBondContact O-CD2 3.16Å; L267-H271 VanDerWaalsContact O-CD2 3.28Å; L267-H271 PolarHBondContact O-N 3.47Å; L267-L301 HydrophobicContact CD1-CD1 4.45Å; L267-Y304 HydrophobicContact CD1-CD1 4.36Å; L267-Y304 HydrophobicContact CD1-CE1 4.41Å; L267-Y304 HydrophobicContact CD2-CD1 4.11Å; L267-Y304 HydrophobicContact CD2-CD2 4.22Å; L267-Y304 HydrophobicContact CD2-CE1 3.63Å; L267-Y304 HydrophobicContact CD2-CE2 3.76Å; L267-Y304 HydrophobicContact CD2-CG 4.37Å; L267-Y304 VanDerWaalsContact CD2-CZ 3.41Å; L267-Y304 HydrophobicContact CG-CD1 4Å; L267-Y304 HydrophobicContact CG-CE1 3.57Å; L267-M305 HydrophobicContact CD1-CE 3.78Å; L267-M305 HydrophobicContact CG-CE 4.27Å
268	R	98.7	Very high	98.3	Very high	5 Å²	5	9.2 Å²	9.2	2%	0.019	5%	0.048	C	C	.	.	H	α-helix	trans	-64.7	-40.6	177.7	-165.3	179.3	-57	111.7	7.3	112.1	S223 I226 S227 V228 S264 V265 L266 S272 E346	S223-R268 PolarHBondContact O-NH2 3.12Å; S223-R268 PolarHBondContact OG-NH1 3.48Å; S223-R268 PolarHBondContact OG-NH2 3.08Å; S223-R268 VanDerWaalsContact OG-NH2 3.14Å; I226-R268 PolarHBondContact O-NH2 3.21Å; S227-R268 PolarHBondContact O-NE 3.4Å; V228-R268 HydrophobicContact CB-CB 4.4Å; V228-R268 WeakPolarHBondContact O-CA 3.29Å; S264-R268 VanDerWaalsContact O-CB 3.24Å; S264-R268 WeakPolarHBondContact O-CB 3.46Å; S264-R268 PolarHBondContact O-N 2.98Å; V265-R268 PolarHBondContact O-N 2.97Å; L266-R268 VanDerWaalsContact C-N 3.32Å; L266-R268 PolarHBondContact O-N 3.06Å; R268-S272 VanDerWaalsContact O-CB 3.23Å; R268-S272 WeakPolarHBondContact O-CB 3.16Å; R268-S272 PolarHBondContact O-N 2.68Å; R268-S272 PolarHBondContact O-OG 2.92Å; R268-E346 VanDerWaalsContact CD-OE1 3.27Å; R268-E346 WeakPolarHBondContact CD-OE1 3.48Å; R268-E346 WeakPolarHBondContact CD-OE2 3.27Å; R268-E346 HydrophobicContact CG-CG 3.94Å
269	S	98.8	Very high	98.2	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-57.2	-53	173.1	-60.6	0	0	0	0	111.2	V265 L266 S272 V273 S343 H344 I345	V265-S269 PolarHBondContact O-N 2.82Å; V265-S269 PolarHBondContact O-OG 2.82Å; V265-S269 VanDerWaalsContact O-OG 3.13Å; L266-S269 WeakPolarHBondContact O-CB 3.35Å; L266-S269 PolarHBondContact O-N 2.93Å; S269-S272 PolarHBondContact O-N 3.14Å; S269-S272 PolarHBondContact O-OG 2.92Å; S269-V273 WeakPolarHBondContact O-CG2 3.5Å; S269-V273 PolarHBondContact O-N 3.49Å; S269-S343 PolarHBondContact OG-O 3.06Å; S269-H344 PolarHBondContact OG-N 2.93Å; S269-I345 VanDerWaalsContact CA-O 3.32Å; S269-I345 WeakPolarHBondContact CA-O 3.31Å; S269-I345 PolarHBondContact OG-N 2.97Å; S269-I345 PolarHBondContact OG-O 3.43Å; S269-I345 VanDerWaalsContact OG-O 3.13Å
270	V	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-50.1	-179.9	173.6	0	0	0	0	111.8	I256 L266 L267 S272 V273 I274 I285 L287 M305 L308 V311	I256-V270 HydrophobicContact CD1-CG2 4.35Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.23Å; L267-V270 PolarHBondContact O-N 2.85Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.79Å; V270-V273 WeakPolarHBondContact O-CB 3.36Å; V270-V273 PolarHBondContact O-N 2.82Å; V270-I274 HydrophobicContact CG1-CD1 3.86Å; V270-I274 WeakPolarHBondContact O-CG1 3.23Å; V270-I274 PolarHBondContact O-N 2.8Å; V270-I274 VanDerWaalsContact O-N 3.1Å; V270-I285 HydrophobicContact CG1-CD1 4.35Å; V270-L287 HydrophobicContact CG2-CD1 4.04Å; V270-L287 HydrophobicContact CG2-CD2 3.77Å; V270-L287 HydrophobicContact CG2-CG 4.43Å; V270-M305 HydrophobicContact CB-CE 4.5Å; V270-M305 HydrophobicContact CG1-SD 4.17Å; V270-M305 HydrophobicContact CG2-CE 4.14Å; V270-M305 HydrophobicContact CG2-SD 4.46Å; V270-L308 HydrophobicContact CG1-CD1 4Å; V270-V311 HydrophobicContact CG1-CG2 3.9Å
271	H	98.8	Very high	98.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-35.5	180	-84.2	-59	0	0	0	112.2	V228 R229 L267 V273 I274 D275 Y304	V228-H271 WeakPolarHBondContact O-CB 3.49Å; R229-H271 HydrophobicContact CG-CB 3.83Å; L267-H271 WeakPolarHBondContact O-CB 3.2Å; L267-H271 PolarHBondContact O-CD2 3.16Å; L267-H271 VanDerWaalsContact O-CD2 3.28Å; L267-H271 PolarHBondContact O-N 3.47Å; H271-V273 VanDerWaalsContact C-N 3.28Å; H271-V273 PolarHBondContact O-N 3.4Å; H271-I274 PolarHBondContact O-N 2.62Å; H271-D275 VanDerWaalsContact O-CB 3.23Å; H271-D275 WeakPolarHBondContact O-CB 3.43Å; H271-D275 PolarHBondContact O-N 3.35Å; H271-Y304 AromaticContact NE2-CE1 3.59Å; H271-Y304 AromaticContact NE2-CZ 3.66Å; H271-Y304 PolarHBondContact NE2-OH 3.45Å
272	S	98.7	Very high	98.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-37.3	176.9	78.9	0	0	0	0	112.6	R268 S269 V270 R276 C347	R268-S272 VanDerWaalsContact O-CB 3.23Å; R268-S272 WeakPolarHBondContact O-CB 3.16Å; R268-S272 PolarHBondContact O-N 2.68Å; R268-S272 PolarHBondContact O-OG 2.92Å; S269-S272 PolarHBondContact O-N 3.14Å; S269-S272 PolarHBondContact O-OG 2.92Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.79Å; S272-R276 WeakPolarHBondContact O-CB 3.32Å; S272-R276 PolarHBondContact O-N 2.65Å; S272-C347 PolarHBondContact OG-N 3.39Å
273	V	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-49.4	174.6	171.8	0	0	0	0	110.2	I254 S269 V270 H271 D275 S277 L282 I285 L341 I345 W351	I254-V273 HydrophobicContact CB-CG1 4.32Å; I254-V273 HydrophobicContact CG1-CG1 3.76Å; I254-V273 HydrophobicContact CG2-CG1 4.24Å; I254-V273 HydrophobicContact CG2-CG2 4.21Å; S269-V273 WeakPolarHBondContact O-CG2 3.5Å; S269-V273 PolarHBondContact O-N 3.49Å; V270-V273 WeakPolarHBondContact O-CB 3.36Å; V270-V273 PolarHBondContact O-N 2.82Å; H271-V273 VanDerWaalsContact C-N 3.28Å; H271-V273 PolarHBondContact O-N 3.4Å; V273-D275 PolarHBondContact O-N 3.35Å; V273-S277 WeakPolarHBondContact O-CB 3.23Å; V273-S277 PolarHBondContact O-N 3.02Å; V273-S277 PolarHBondContact O-OG 3.45Å; V273-L282 HydrophobicContact CG1-CD1 4.02Å; V273-L282 HydrophobicContact CG1-CD2 4.2Å; V273-I285 HydrophobicContact CB-CD1 4.07Å; V273-I285 HydrophobicContact CG1-CD1 3.61Å; V273-I285 HydrophobicContact CG1-CG1 4.04Å; V273-L341 HydrophobicContact CG2-CD1 3.8Å; V273-I345 HydrophobicContact CG2-CD1 4.38Å; V273-W351 HydrophobicContact CG1-CZ2 4.45Å; V273-W351 HydrophobicContact CG2-CZ2 4.44Å
274	I	98.4	Very high	98.2	Very high	46 Å²	46	23.2 Å²	23.2	24%	0.236	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-45.6	-178.9	-65.6	172.4	0	0	0	110.9	V270 H271 R276 I285 L308 I310 V311	V270-I274 HydrophobicContact CG1-CD1 3.86Å; V270-I274 WeakPolarHBondContact O-CG1 3.23Å; V270-I274 PolarHBondContact O-N 2.8Å; V270-I274 VanDerWaalsContact O-N 3.1Å; H271-I274 PolarHBondContact O-N 2.62Å; I274-R276 VanDerWaalsContact C-N 3.33Å; I274-R276 PolarHBondContact O-N 3.39Å; I274-I285 HydrophobicContact CD1-CD1 4.14Å; I274-I285 HydrophobicContact CG1-CD1 3.55Å; I274-L308 HydrophobicContact CD1-CB 4.37Å; I274-L308 HydrophobicContact CD1-CD1 3.94Å; I274-L308 HydrophobicContact CD1-CD2 4.39Å; I274-L308 HydrophobicContact CD1-CG 4.47Å; I274-I310 HydrophobicContact CD1-CG2 4Å; I274-I310 HydrophobicContact CG1-CG2 4.06Å; I274-V311 HydrophobicContact CD1-CG2 4.29Å
275	D	98	Very high	98.2	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-76.7	-20.3	-169.9	-69.8	-13.2	0	0	0	113.9	R179 R229 H271 V273	R179-D275 PolarHBondContact NH1-O 3.4Å; R229-D275 IonicContact CZ-OD1 2.68Å; R229-D275 IonicContact CZ-OD2 3.23Å; R229-D275 IonicContact NE-OD1 3.82Å; R229-D275 PolarHBondContact NE-OD1 2.81Å; R229-D275 IonicContact NE-OD2 3.12Å; R229-D275 PolarHBondContact NE-OD2 3.38Å; R229-D275 VanDerWaalsContact NH2-CG 3.33Å; R229-D275 IonicContact NH2-OD1 3.79Å; R229-D275 PolarHBondContact NH2-OD1 3.49Å; R229-D275 IonicContact NH2-OD2 2.82Å; R229-D275 PolarHBondContact NH2-OD2 2.84Å; H271-D275 VanDerWaalsContact O-CB 3.23Å; H271-D275 WeakPolarHBondContact O-CB 3.43Å; H271-D275 PolarHBondContact O-N 3.35Å; V273-D275 PolarHBondContact O-N 3.35Å
276	R	97.8	Very high	98.2	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-127.9	12.8	-169.9	-59.7	171.6	177.9	93.8	-5.1	113.7	R230 S272 I274 C347 W351	R230-R276 PolarHBondContact O-NH2 3.13Å; S272-R276 WeakPolarHBondContact O-CB 3.32Å; S272-R276 PolarHBondContact O-N 2.65Å; I274-R276 VanDerWaalsContact C-N 3.33Å; I274-R276 PolarHBondContact O-N 3.39Å; R276-C347 WeakPolarHBondContact CD-O 3.28Å; R276-C347 PolarHBondContact NE-O 3.03Å; R276-W351 VanDerWaalsContact O-CD1 3.3Å; R276-W351 PolarHBondContact O-NE1 3.37Å
277	S	98.1	Very high	98.2	Very high	8 Å²	8	23.1 Å²	23.1	6%	0.056	13%	0.126	C	C	.	.	S	Bend	trans	-111.9	137.2	170.5	-51.7	0	0	0	0	109.8	V273 W351	V273-S277 WeakPolarHBondContact O-CB 3.23Å; V273-S277 PolarHBondContact O-N 3.02Å; V273-S277 PolarHBondContact O-OG 3.45Å; S277-W351 PolarHBondContact OG-NE1 2.75Å
278	P	96.3	Very high	98.2	Very high	28 Å²	28	23.1 Å²	23.1	18%	0.182	13%	0.126	C	C	.	.			trans	-59.4	127.6	173	-25.7	35.6	0	0	0	111.1	N280 L281 L282 E353	P278-N280 WeakPolarHBondContact CB-OD1 3.5Å; P278-N280 PolarHBondContact O-N 3.31Å; P278-N280 VanDerWaalsContact O-N 3.12Å; P278-L281 HydrophobicContact CB-CB 4.45Å; P278-L281 HydrophobicContact CB-CD1 4.03Å; P278-L281 HydrophobicContact CB-CG 4.06Å; P278-L281 HydrophobicContact CG-CD1 3.93Å; P278-L281 PolarHBondContact O-N 2.85Å; P278-L282 PolarHBondContact O-N 3.4Å; P278-E353 HydrophobicContact CG-CG 3.83Å; P278-E353 VanDerWaalsContact CG-OE1 3.28Å; P278-E353 WeakPolarHBondContact CG-OE1 3.46Å
279	P	96.2	Very high	98.2	Very high	114 Å²	114	22.9 Å²	22.9	74%	0.74	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.4	-174.6	-28.2	35.1	0	0	0	114.5	L281	P279-L281 VanDerWaalsContact C-N 3.26Å; P279-L281 PolarHBondContact O-N 3.06Å
280	N	95.9	Very high	98.1	Very high	123 Å²	123	23.1 Å²	23.1	66%	0.658	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.4	178.1	64.5	-64.4	0	0	0	113.7	P278	P278-N280 WeakPolarHBondContact CB-OD1 3.5Å; P278-N280 PolarHBondContact O-N 3.31Å; P278-N280 VanDerWaalsContact O-N 3.12Å
281	L	97.9	Very high	98	Very high	8 Å²	8	28 Å²	28	4%	0.042	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.1	177.9	-57.6	-177.4	0	0	0	112.1	L249 S251 A252 P278 P279 Q283 L352 E353 L356	L249-L281 HydrophobicContact CB-CD1 4.37Å; L249-L281 HydrophobicContact CB-CD2 3.68Å; L249-L281 HydrophobicContact CD1-CD1 3.91Å; S251-L281 CarbonylContact C-O 3.43Å; S251-L281 WeakPolarHBondContact CA-O 3.44Å; A252-L281 PolarHBondContact N-O 2.78Å; P278-L281 HydrophobicContact CB-CB 4.45Å; P278-L281 HydrophobicContact CB-CD1 4.03Å; P278-L281 HydrophobicContact CB-CG 4.06Å; P278-L281 HydrophobicContact CG-CD1 3.93Å; P278-L281 PolarHBondContact O-N 2.85Å; P279-L281 VanDerWaalsContact C-N 3.26Å; P279-L281 PolarHBondContact O-N 3.06Å; L281-Q283 PolarHBondContact O-N 3.31Å; L281-L352 HydrophobicContact CB-CD2 4.17Å; L281-E353 HydrophobicContact CD1-CG 3.96Å; L281-L356 HydrophobicContact CB-CD1 4.03Å; L281-L356 HydrophobicContact CD1-CD1 4.04Å; L281-L356 HydrophobicContact CG-CD1 4.44Å
282	L	98.2	Very high	98	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.9	-179	-173.1	59.9	0	0	0	110.4	I254 V273 P278 I285 I310	I254-L282 HydrophobicContact CD1-CD1 4.12Å; I254-L282 HydrophobicContact CG1-CD1 3.36Å; V273-L282 HydrophobicContact CG1-CD1 4.02Å; V273-L282 HydrophobicContact CG1-CD2 4.2Å; P278-L282 PolarHBondContact O-N 3.4Å; L282-I285 HydrophobicContact CD1-CG1 4.18Å; L282-I285 HydrophobicContact CD2-CD1 4.31Å; L282-I285 HydrophobicContact CD2-CG1 4.42Å; L282-I310 HydrophobicContact CB-CD1 4.13Å; L282-I310 HydrophobicContact CD2-CD1 3.63Å; L282-I310 HydrophobicContact CD2-CG1 4.44Å; L282-I310 HydrophobicContact CG-CD1 3.57Å; L282-I310 HydrophobicContact CG-CG1 4.33Å
283	Q	98.4	Very high	97.8	Very high	90 Å²	90	33.4 Å²	33.4	42%	0.421	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-49.1	180	-177.6	61	59.2	0	0	111.8	A252 L281	A252-Q283 WeakPolarHBondContact O-CB 3.29Å; A252-Q283 PolarHBondContact O-N 3.26Å; L281-Q283 PolarHBondContact O-N 3.31Å
284	E	98.6	Very high	97.7	Very high	4 Å²	4	35 Å²	35	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	161	-177.6	65	-160.6	149.8	0	0	110.3	S253 I254 I286 I310 K312 S333 T334	S253-E284 WeakPolarHBondContact OG-CG 3.47Å; S253-E284 PolarHBondContact OG-OE1 3.12Å; I254-E284 PolarHBondContact N-O 3.43Å; E284-I286 HydrophobicContact CB-CD1 4.45Å; E284-I286 HydrophobicContact CG-CD1 3.77Å; E284-I286 HydrophobicContact CG-CG1 4.11Å; E284-I310 WeakPolarHBondContact CA-O 3.37Å; E284-K312 WeakPolarHBondContact OE2-CD 3.1Å; E284-K312 WeakPolarHBondContact OE2-CE 3.27Å; E284-K312 IonicContact OE2-NZ 3.98Å; E284-K312 PolarHBondContact OE2-NZ 2.78Å; E284-S333 VanDerWaalsContact OE1-CA 3.25Å; E284-S333 WeakPolarHBondContact OE1-CA 3.49Å; E284-T334 PolarHBondContact OE1-N 3.25Å; E284-T334 PolarHBondContact OE1-OG1 3.06Å
285	I	98.9	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.4	169.3	-56	175.4	0	0	0	107.9	I254 I256 V270 V273 I274 L282 L287 I310 V311 K312	I254-I285 HydrophobicContact CB-CG1 4.29Å; I254-I285 HydrophobicContact CG1-CG1 4.5Å; I254-I285 CarbonylContact O-C 3.6Å; I254-I285 WeakPolarHBondContact O-CA 3.41Å; I256-I285 HydrophobicContact CD1-CG2 4.23Å; V270-I285 HydrophobicContact CG1-CD1 4.35Å; V273-I285 HydrophobicContact CB-CD1 4.07Å; V273-I285 HydrophobicContact CG1-CD1 3.61Å; V273-I285 HydrophobicContact CG1-CG1 4.04Å; I274-I285 HydrophobicContact CD1-CD1 4.14Å; I274-I285 HydrophobicContact CG1-CD1 3.55Å; L282-I285 HydrophobicContact CD1-CG1 4.18Å; L282-I285 HydrophobicContact CD2-CD1 4.31Å; L282-I285 HydrophobicContact CD2-CG1 4.42Å; I285-L287 HydrophobicContact CG2-CD2 4.08Å; I285-I310 HydrophobicContact CD1-CG2 4.2Å; I285-I310 HydrophobicContact CG1-CG2 4.48Å; I285-I310 PolarHBondContact N-O 2.96Å; I285-V311 HydrophobicContact CB-CG2 4.25Å; I285-V311 HydrophobicContact CD1-CG2 4.35Å; I285-V311 CarbonylContact O-C 3.53Å; I285-V311 WeakPolarHBondContact O-CA 3.31Å; I285-K312 PolarHBondContact O-N 3.33Å
286	I	98.8	Very high	97.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	109.5	176.2	-52.3	-55.7	0	0	0	109.1	I254 I255 I256 E284 V288 K312 V314	I254-I286 PolarHBondContact O-N 3.36Å; I255-I286 WeakPolarHBondContact CA-O 3.43Å; I255-I286 HydrophobicContact CG1-CB 4.35Å; I256-I286 PolarHBondContact N-O 3.1Å; E284-I286 HydrophobicContact CB-CD1 4.45Å; E284-I286 HydrophobicContact CG-CD1 3.77Å; E284-I286 HydrophobicContact CG-CG1 4.11Å; I286-V288 HydrophobicContact CG2-CG2 3.91Å; I286-K312 HydrophobicContact CD1-CB 3.87Å; I286-K312 HydrophobicContact CD1-CD 3.9Å; I286-K312 HydrophobicContact CD1-CG 4.36Å; I286-V314 HydrophobicContact CG2-CB 4.45Å; I286-V314 HydrophobicContact CG2-CG2 3.79Å
287	L	98.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.3	170.9	-63.4	-170.8	0	0	0	109.4	I256 F258 L266 V270 I285 M305 V311 K312 I313 V314	I256-L287 HydrophobicContact CB-CD2 3.73Å; I256-L287 HydrophobicContact CD1-CD2 4.12Å; I256-L287 HydrophobicContact CG1-CD2 4.33Å; I256-L287 HydrophobicContact CG2-CD2 4.25Å; I256-L287 WeakPolarHBondContact O-CA 3.48Å; F258-L287 HydrophobicContact CE1-CB 3.88Å; L266-L287 HydrophobicContact CD1-CD2 4.48Å; V270-L287 HydrophobicContact CG2-CD1 4.04Å; V270-L287 HydrophobicContact CG2-CD2 3.77Å; V270-L287 HydrophobicContact CG2-CG 4.43Å; I285-L287 HydrophobicContact CG2-CD2 4.08Å; L287-M305 HydrophobicContact CD1-CE 4.01Å; L287-M305 HydrophobicContact CD1-CG 3.9Å; L287-M305 HydrophobicContact CD1-SD 3.84Å; L287-V311 HydrophobicContact CD1-CG1 3.66Å; L287-V311 HydrophobicContact CG-CG1 3.75Å; L287-K312 PolarHBondContact N-O 3.23Å; L287-I313 HydrophobicContact CB-CG1 4.29Å; L287-I313 HydrophobicContact CD1-CG1 4.45Å; L287-I313 CarbonylContact O-C 3.57Å; L287-I313 WeakPolarHBondContact O-CA 3.15Å; L287-V314 PolarHBondContact O-N 3.13Å
288	V	98.8	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	103.6	178.4	-170.5	0	0	0	0	109.4	I255 I256 C257 F258 I286 D290 V314 T316 A325 I328	I255-V288 HydrophobicContact CG2-CG2 4.15Å; I256-V288 PolarHBondContact O-N 2.95Å; C257-V288 HydrophobicContact CB-CB 4.46Å; F258-V288 WeakPolarHBondContact CD1-O 3.46Å; F258-V288 PolarHBondContact N-O 2.97Å; I286-V288 HydrophobicContact CG2-CG2 3.91Å; V288-D290 PolarHBondContact O-N 3.16Å; V288-V314 CarbonylContact C-O 3.5Å; V288-V314 WeakPolarHBondContact CA-O 3.47Å; V288-T316 HydrophobicContact CG1-CG2 4.33Å; V288-A325 HydrophobicContact CG1-CB 3.95Å; V288-I328 HydrophobicContact CG1-CG2 4.47Å
289	D	98.7	Very high	97.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	102.4	170.8	179.2	17.1	0	0	0	109.2	F258 F291 S292 K298 V314 R315 T316	F258-D289 HydrophobicContact CE1-CB 4.02Å; F258-D289 HydrophobicContact CE2-CB 3.98Å; F258-D289 HydrophobicContact CZ-CB 3.5Å; D289-F291 PolarHBondContact O-N 3.11Å; D289-F291 PolarHBondContact OD1-N 2.95Å; D289-S292 WeakPolarHBondContact OD1-CB 3.25Å; D289-S292 PolarHBondContact OD1-N 2.82Å; D289-S292 PolarHBondContact OD1-OG 2.89Å; D289-K298 IonicContact OD2-NZ 3.87Å; D289-K298 PolarHBondContact OD2-NZ 3.45Å; D289-K298 VanDerWaalsContact OD2-NZ 3.12Å; D289-V314 PolarHBondContact N-O 2.84Å; D289-R315 HydrophobicContact CB-CB 4.42Å; D289-R315 HydrophobicContact CB-CG 4.05Å; D289-R315 IonicContact OD2-CZ 3.02Å; D289-R315 IonicContact OD2-NH1 2.87Å; D289-R315 PolarHBondContact OD2-NH1 3.08Å; D289-T316 PolarHBondContact O-N 3.18Å; D289-T316 PolarHBondContact O-OG1 2.89Å
290	D	97.4	Very high	97.8	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	19%	0.192	C	C	.	.			trans	-81.1	66.8	173.2	-174	30.8	0	0	0	110.3	F258 H259 V288 S292 T316 R319 E320 G321 A325	F258-D290 PolarHBondContact O-N 3.14Å; H259-D290 PolarHBondContact ND1-O 2.96Å; V288-D290 PolarHBondContact O-N 3.16Å; D290-S292 PolarHBondContact O-N 2.54Å; D290-T316 WeakPolarHBondContact CA-OG1 3.38Å; D290-T316 PolarHBondContact OD1-OG1 3.38Å; D290-R319 WeakPolarHBondContact O-CD 3.39Å; D290-R319 PolarHBondContact O-NE 3.37Å; D290-R319 WeakPolarHBondContact OD2-CD 3.49Å; D290-R319 IonicContact OD2-CZ 2.77Å; D290-R319 IonicContact OD2-NE 2.84Å; D290-R319 PolarHBondContact OD2-NE 3.32Å; D290-E320 PolarHBondContact OD1-N 3.15Å; D290-G321 PolarHBondContact OD1-N 3.44Å; D290-G321 VanDerWaalsContact OD2-CA 3.25Å; D290-G321 WeakPolarHBondContact OD2-CA 3.31Å; D290-G321 PolarHBondContact OD2-N 3.24Å; D290-A325 HydrophobicContact CB-CB 4.19Å
291	F	97	Very high	98	Very high	104 Å²	104	32.6 Å²	32.6	46%	0.456	16%	0.161	S	C	.	.	S	Bend	trans	54.3	47	173.7	-155.9	-108.6	0	0	0	114.4	H259 D289 T316 K317 R318 R319	H259-F291 PolarHBondContact CE1-O 2.9Å; H259-F291 VanDerWaalsContact CE1-O 3.3Å; H259-F291 PolarHBondContact ND1-O 2.81Å; D289-F291 PolarHBondContact O-N 3.11Å; D289-F291 PolarHBondContact OD1-N 2.95Å; F291-T316 PolarHBondContact N-OG1 2.87Å; F291-T316 VanDerWaalsContact N-OG1 3.1Å; F291-K317 VanDerWaalsContact CE2-O 3.23Å; F291-K317 WeakPolarHBondContact CE2-O 3.42Å; F291-R318 VanDerWaalsContact CB-C 3.42Å; F291-R319 HydrophobicContact CB-CB 4.28Å
292	S	97.5	Very high	97.9	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	18%	0.18	C	C	.	.			trans	-58.6	148	171.7	-55.9	0	0	0	0	111	H259 N260 D289 D290 K298	H259-S292 WeakPolarHBondContact CA-OG 3.44Å; N260-S292 PolarHBondContact N-OG 3.37Å; N260-S292 WeakPolarHBondContact OD1-CA 3.35Å; N260-S292 WeakPolarHBondContact OD1-CB 3.4Å; D289-S292 WeakPolarHBondContact OD1-CB 3.25Å; D289-S292 PolarHBondContact OD1-N 2.82Å; D289-S292 PolarHBondContact OD1-OG 2.89Å; D290-S292 PolarHBondContact O-N 2.54Å; S292-K298 WeakPolarHBondContact O-CE 3.35Å; S292-K298 PolarHBondContact O-NZ 2.79Å
293	D	96.2	Very high	97.9	Very high	113 Å²	113	39.2 Å²	39.2	60%	0.604	19%	0.191	S	C	*	.			trans	-112.2	-8.9	177.4	62.6	6.2	0	0	0	113.2	N260	N260-D293 VanDerWaalsContact CG-OD1 3.27Å; N260-D293 PolarHBondContact ND2-OD1 3.16Å; N260-D293 PolarHBondContact OD1-N 3.21Å; N260-D293 PolarHBondContact OD1-OD1 3.42Å; N260-D293 VanDerWaalsContact OD1-OD1 3.06Å
294	R	96.7	Very high	97.9	Very high	34 Å²	34	35 Å²	35	13%	0.128	17%	0.171	C	C	.	.			trans	-71.8	131.5	178.8	-65.3	-173.1	-175.3	170	4.6	112.3	D215 N216 N260 H296 L297	D215-R294 PolarHBondContact O-NH2 3.31Å; D215-R294 IonicContact OD1-CZ 2.81Å; D215-R294 IonicContact OD1-NH2 3.74Å; D215-R294 PolarHBondContact OD1-NH2 2.75Å; D215-R294 VanDerWaalsContact OD1-NH2 3.16Å; D215-R294 IonicContact OD2-CZ 3.37Å; D215-R294 IonicContact OD2-NH2 3.95Å; N216-R294 PolarHBondContact OD1-NH1 3.23Å; N260-R294 HydrophobicContact CB-CG 4.2Å; N260-R294 VanDerWaalsContact O-CZ 3.3Å; N260-R294 PolarHBondContact O-NH1 3.4Å; N260-R294 PolarHBondContact OD1-N 2.95Å; R294-H296 VanDerWaalsContact C-N 3.29Å; R294-H296 VanDerWaalsContact CD-CE1 3.46Å; R294-H296 WeakPolarHBondContact CD-CE1 3.24Å; R294-H296 PolarHBondContact O-N 3.37Å; R294-L297 HydrophobicContact CB-CD1 4.39Å; R294-L297 PolarHBondContact O-N 2.68Å; R294-L297 VanDerWaalsContact O-N 3.09Å
295	P	97.6	Very high	97.9	Very high	85 Å²	85	35 Å²	35	55%	0.552	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-56.4	-35.3	-176.7	-29.3	35.8	0	0	0	115.2	L169 L297 K298	L169-P295 HydrophobicContact CD1-CB 4Å; L169-P295 HydrophobicContact CD2-CB 3.99Å; P295-L297 PolarHBondContact O-N 2.89Å; P295-L297 VanDerWaalsContact O-N 3.14Å; P295-K298 PolarHBondContact O-N 3.04Å; P295-K298 VanDerWaalsContact O-N 3.13Å
296	H	97.9	Very high	97.8	Very high	28 Å²	28	37.6 Å²	37.6	13%	0.13	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.1	-14.9	-179.1	67	-92.8	0	0	0	113.7	L169 L171 E261 W263 R294 L301	L169-H296 HydrophobicContact CD1-CB 4.39Å; L171-H296 HydrophobicContact CD1-CB 3.62Å; L171-H296 HydrophobicContact CD2-CB 3.82Å; L171-H296 HydrophobicContact CG-CB 4.37Å; E261-H296 PolarHBondContact O-NE2 2.79Å; W263-H296 HydrophobicContact CE3-CB 4.22Å; W263-H296 VanDerWaalsContact CZ3-O 3.23Å; W263-H296 WeakPolarHBondContact CZ3-O 3.36Å; R294-H296 VanDerWaalsContact C-N 3.29Å; R294-H296 VanDerWaalsContact CD-CE1 3.46Å; R294-H296 WeakPolarHBondContact CD-CE1 3.24Å; R294-H296 PolarHBondContact O-N 3.37Å; H296-L301 PolarHBondContact O-N 3.32Å
297	L	98.4	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-96.5	3.6	178.8	-61	174.1	0	0	0	113.3	F258 N260 L266 R294 P295 L301 R315	F258-L297 HydrophobicContact CD2-CD1 4.13Å; F258-L297 HydrophobicContact CD2-CD2 4.31Å; F258-L297 HydrophobicContact CE2-CB 4.22Å; F258-L297 HydrophobicContact CE2-CD1 4.08Å; F258-L297 HydrophobicContact CE2-CD2 3.96Å; F258-L297 HydrophobicContact CE2-CG 4.3Å; N260-L297 VanDerWaalsContact CA-CD1 3.43Å; L266-L297 HydrophobicContact CD2-CD2 3.81Å; R294-L297 HydrophobicContact CB-CD1 4.39Å; R294-L297 PolarHBondContact O-N 2.68Å; R294-L297 VanDerWaalsContact O-N 3.09Å; P295-L297 PolarHBondContact O-N 2.89Å; P295-L297 VanDerWaalsContact O-N 3.14Å; L297-L301 HydrophobicContact CD2-CD2 4.22Å; L297-R315 PolarHBondContact O-NH1 3.07Å; L297-R315 PolarHBondContact O-NH2 2.79Å
298	K	98	Very high	97.6	Very high	72 Å²	72	42.5 Å²	42.5	31%	0.313	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-120.2	-179.7	-58.5	-57	-179.7	-170.6	0	111	D289 S292 P295 A300 L301 E302 R315	D289-K298 IonicContact OD2-NZ 3.87Å; D289-K298 PolarHBondContact OD2-NZ 3.45Å; D289-K298 VanDerWaalsContact OD2-NZ 3.12Å; S292-K298 WeakPolarHBondContact O-CE 3.35Å; S292-K298 PolarHBondContact O-NZ 2.79Å; P295-K298 PolarHBondContact O-N 3.04Å; P295-K298 VanDerWaalsContact O-N 3.13Å; K298-A300 PolarHBondContact O-N 3.37Å; K298-L301 PolarHBondContact O-N 3.41Å; K298-L301 VanDerWaalsContact O-N 3.1Å; K298-E302 PolarHBondContact O-N 3.41Å; K298-R315 PolarHBondContact O-NH2 2.78Å
299	E	97.5	Very high	97.4	Very high	123 Å²	123	50.3 Å²	50.3	58%	0.575	26%	0.264	S	S	*	.	H	α-helix	trans	-56.6	-37.7	-178.2	-169.7	-176.5	176.1	0	0	111.8	A165 L301 E302 E303	A165-E299 HydrophobicContact CB-CB 3.78Å; A165-E299 HydrophobicContact CB-CG 3.62Å; E299-L301 VanDerWaalsContact C-N 3.35Å; E299-L301 PolarHBondContact O-N 3.18Å; E299-E302 PolarHBondContact O-N 2.83Å; E299-E303 WeakPolarHBondContact O-CB 3.5Å; E299-E303 PolarHBondContact O-N 2.86Å
300	A	97.8	Very high	97.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-38.4	177.9	0	0	0	0	0	113.2	A165 I166 L169 L171 W263 K298 E303 Y304	A165-A300 HydrophobicContact CB-CB 4.13Å; I166-A300 HydrophobicContact CG1-CB 3.92Å; I166-A300 WeakPolarHBondContact CG1-O 3.5Å; L169-A300 HydrophobicContact CD1-CB 4Å; L171-A300 HydrophobicContact CD1-CB 3.7Å; W263-A300 WeakPolarHBondContact CH2-O 3.28Å; W263-A300 HydrophobicContact CZ3-CB 4.48Å; K298-A300 PolarHBondContact O-N 3.37Å; A300-E303 PolarHBondContact O-N 3.02Å; A300-Y304 PolarHBondContact O-N 3.19Å
301	L	98.3	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-39.6	176.5	-173.2	68.4	0	0	0	111.4	F258 W263 L266 L267 H296 L297 K298 E299 E303 Y304 M305 I313	F258-L301 HydrophobicContact CE1-CD2 4.45Å; F258-L301 HydrophobicContact CE2-CD2 4Å; F258-L301 HydrophobicContact CZ-CD2 3.54Å; W263-L301 HydrophobicContact CZ3-CB 4.25Å; W263-L301 HydrophobicContact CZ3-CD1 3.98Å; L266-L301 HydrophobicContact CD2-CD1 3.88Å; L266-L301 HydrophobicContact CD2-CD2 4.15Å; L267-L301 HydrophobicContact CD1-CD1 4.45Å; H296-L301 PolarHBondContact O-N 3.32Å; L297-L301 HydrophobicContact CD2-CD2 4.22Å; K298-L301 PolarHBondContact O-N 3.41Å; K298-L301 VanDerWaalsContact O-N 3.1Å; E299-L301 VanDerWaalsContact C-N 3.35Å; E299-L301 PolarHBondContact O-N 3.18Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-Y304 PolarHBondContact O-N 2.64Å; L301-M305 HydrophobicContact CD1-CE 3.55Å; L301-M305 HydrophobicContact CD1-CG 3.89Å; L301-M305 HydrophobicContact CG-CG 4.08Å; L301-M305 VanDerWaalsContact O-CB 3.28Å; L301-M305 WeakPolarHBondContact O-CB 3.16Å; L301-M305 WeakPolarHBondContact O-CG 3.39Å; L301-M305 PolarHBondContact O-N 3.03Å; L301-I313 HydrophobicContact CD2-CD1 4.13Å; L301-I313 HydrophobicContact CG-CD1 3.91Å
302	E	97.5	Very high	97.5	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-43.9	173.7	-77.6	161.1	-159.5	0	0	111.4	K298 E299 G306 I313 R315	K298-E302 PolarHBondContact O-N 3.41Å; E299-E302 PolarHBondContact O-N 2.83Å; E302-G306 WeakPolarHBondContact O-CA 3.42Å; E302-G306 PolarHBondContact O-N 3.41Å; E302-I313 HydrophobicContact CG-CD1 3.97Å; E302-R315 IonicContact OE1-CZ 2.65Å; E302-R315 VanDerWaalsContact OE1-CZ 3.23Å; E302-R315 IonicContact OE1-NE 3.94Å; E302-R315 PolarHBondContact OE1-NE 3.31Å; E302-R315 IonicContact OE1-NH2 3.16Å; E302-R315 PolarHBondContact OE1-NH2 3.44Å
303	E	97.4	Very high	97.5	Very high	65 Å²	65	55.1 Å²	55.1	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-48.4	175.7	-173.7	-172.6	142.7	0	0	111.5	S164 A165 I166 E299 A300 L301	S164-E303 VanDerWaalsContact CB-CD 3.41Å; S164-E303 WeakPolarHBondContact CB-OE1 3.38Å; S164-E303 VanDerWaalsContact CB-OE2 3.23Å; S164-E303 WeakPolarHBondContact CB-OE2 3.23Å; S164-E303 PolarHBondContact OG-OE1 3.29Å; S164-E303 PolarHBondContact OG-OE2 2.62Å; A165-E303 PolarHBondContact N-OE2 2.85Å; I166-E303 HydrophobicContact CD1-CB 4.02Å; I166-E303 HydrophobicContact CD1-CG 3.85Å; I166-E303 WeakPolarHBondContact CD1-OE1 3.2Å; I166-E303 HydrophobicContact CG1-CB 4.2Å; I166-E303 HydrophobicContact CG1-CG 4.24Å; I166-E303 PolarHBondContact N-OE2 3.29Å; E299-E303 WeakPolarHBondContact O-CB 3.5Å; E299-E303 PolarHBondContact O-N 2.86Å; A300-E303 PolarHBondContact O-N 3.02Å; L301-E303 VanDerWaalsContact C-N 3.33Å
304	Y	98.2	Very high	97.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-47.7	-178.3	-169.4	-86.5	0	0	0	112.6	I166 P173 P176 W263 L267 H271 A300 L301 G306 M307 L308	I166-Y304 HydrophobicContact CD1-CD2 4.21Å; P173-Y304 HydrophobicContact CG-CE2 4.41Å; P176-Y304 HydrophobicContact CG-CE1 4.48Å; W263-Y304 HydrophobicContact CH2-CD2 4.32Å; W263-Y304 HydrophobicContact CH2-CG 4.02Å; W263-Y304 AromaticContact CZ2-CD2 3.82Å; W263-Y304 HydrophobicContact CZ2-CD2 3.82Å; W263-Y304 HydrophobicContact CZ2-CE2 4.49Å; W263-Y304 AromaticContact CZ2-CG 3.94Å; W263-Y304 HydrophobicContact CZ2-CG 3.94Å; L267-Y304 HydrophobicContact CD1-CD1 4.36Å; L267-Y304 HydrophobicContact CD1-CE1 4.41Å; L267-Y304 HydrophobicContact CD2-CD1 4.11Å; L267-Y304 HydrophobicContact CD2-CD2 4.22Å; L267-Y304 HydrophobicContact CD2-CE1 3.63Å; L267-Y304 HydrophobicContact CD2-CE2 3.76Å; L267-Y304 HydrophobicContact CD2-CG 4.37Å; L267-Y304 VanDerWaalsContact CD2-CZ 3.41Å; L267-Y304 HydrophobicContact CG-CD1 4Å; L267-Y304 HydrophobicContact CG-CE1 3.57Å; H271-Y304 AromaticContact NE2-CE1 3.59Å; H271-Y304 AromaticContact NE2-CZ 3.66Å; H271-Y304 PolarHBondContact NE2-OH 3.45Å; A300-Y304 PolarHBondContact O-N 3.19Å; L301-Y304 PolarHBondContact O-N 2.64Å; Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 3.04Å; Y304-M307 HydrophobicContact CD2-CE 3.97Å; Y304-M307 HydrophobicContact CG-CE 4.25Å; Y304-M307 WeakPolarHBondContact O-CB 3.41Å; Y304-M307 PolarHBondContact O-N 2.9Å; Y304-L308 HydrophobicContact CE1-CD1 4.26Å
305	M	98	Very high	97.7	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-71	-24.8	-178.7	-61.9	-60	162.8	0	0	112	L267 V270 L287 L301 M307 L308 V311 I313	L267-M305 HydrophobicContact CD1-CE 3.78Å; L267-M305 HydrophobicContact CG-CE 4.27Å; V270-M305 HydrophobicContact CB-CE 4.5Å; V270-M305 HydrophobicContact CG1-SD 4.17Å; V270-M305 HydrophobicContact CG2-CE 4.14Å; V270-M305 HydrophobicContact CG2-SD 4.46Å; L287-M305 HydrophobicContact CD1-CE 4.01Å; L287-M305 HydrophobicContact CD1-CG 3.9Å; L287-M305 HydrophobicContact CD1-SD 3.84Å; L301-M305 HydrophobicContact CD1-CE 3.55Å; L301-M305 HydrophobicContact CD1-CG 3.89Å; L301-M305 HydrophobicContact CG-CG 4.08Å; L301-M305 VanDerWaalsContact O-CB 3.28Å; L301-M305 WeakPolarHBondContact O-CB 3.16Å; L301-M305 WeakPolarHBondContact O-CG 3.39Å; L301-M305 PolarHBondContact O-N 3.03Å; M305-M307 PolarHBondContact O-N 3.42Å; M305-L308 CarbonylContact O-C 3.45Å; M305-L308 WeakPolarHBondContact O-CA 2.9Å; M305-L308 PolarHBondContact O-N 3.34Å; M305-L308 HydrophobicContact SD-CD1 3.98Å; M305-V311 HydrophobicContact CB-CB 4.4Å; M305-V311 HydrophobicContact CB-CG1 4.02Å; M305-V311 HydrophobicContact CG-CG1 4.16Å; M305-V311 HydrophobicContact SD-CG1 3.97Å; M305-V311 HydrophobicContact SD-CG2 4.47Å; M305-I313 HydrophobicContact CB-CD1 4.01Å; M305-I313 HydrophobicContact CB-CG1 4.42Å; M305-I313 HydrophobicContact CG-CD1 4.11Å
306	G	96.8	Very high	97.7	Very high	55 Å²	55	49.1 Å²	49.1	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.3	172.1	0	0	0	0	0	114	E302 Y304 L308	E302-G306 WeakPolarHBondContact O-CA 3.42Å; E302-G306 PolarHBondContact O-N 3.41Å; Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 3.04Å; G306-L308 VanDerWaalsContact C-N 3.29Å
307	M	97.2	Very high	97.6	Very high	81 Å²	81	57.2 Å²	57.2	40%	0.399	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.6	170.7	-64.5	-179.1	-85.5	0	0	113	T175 Y304 M305	T175-M307 HydrophobicContact CG2-CE 4.2Å; T175-M307 HydrophobicContact CG2-SD 3.94Å; Y304-M307 HydrophobicContact CD2-CE 3.97Å; Y304-M307 HydrophobicContact CG-CE 4.25Å; Y304-M307 WeakPolarHBondContact O-CB 3.41Å; Y304-M307 PolarHBondContact O-N 2.9Å; M305-M307 PolarHBondContact O-N 3.42Å
308	L	97.3	Very high	97.5	Very high	23 Å²	23	64.4 Å²	64.4	12%	0.12	31%	0.313	C	S	.	.	S	Bend	trans	-111.3	84.7	-178.3	-55.2	179.5	0	0	0	109.2	P176 V270 I274 Y304 M305 G306 I310 V311	P176-L308 HydrophobicContact CG-CD2 3.83Å; V270-L308 HydrophobicContact CG1-CD1 4Å; I274-L308 HydrophobicContact CD1-CB 4.37Å; I274-L308 HydrophobicContact CD1-CD1 3.94Å; I274-L308 HydrophobicContact CD1-CD2 4.39Å; I274-L308 HydrophobicContact CD1-CG 4.47Å; Y304-L308 HydrophobicContact CE1-CD1 4.26Å; M305-L308 CarbonylContact O-C 3.45Å; M305-L308 WeakPolarHBondContact O-CA 2.9Å; M305-L308 PolarHBondContact O-N 3.34Å; M305-L308 HydrophobicContact SD-CD1 3.98Å; G306-L308 VanDerWaalsContact C-N 3.29Å; L308-I310 PolarHBondContact O-N 2.78Å; L308-V311 HydrophobicContact CB-CB 4.32Å; L308-V311 HydrophobicContact CB-CG2 3.69Å; L308-V311 HydrophobicContact CD1-CG2 4.25Å; L308-V311 WeakPolarHBondContact O-CB 3.39Å; L308-V311 PolarHBondContact O-N 2.75Å
309	N	94.3	Very high	97.2	Very high	163 Å²	163	64 Å²	64	87%	0.872	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-20.6	-172.1	-67.5	-25.7	0	0	0	116.4
310	I	97.7	Very high	97.1	Very high	51 Å²	51	59.7 Å²	59.7	26%	0.262	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.9	179.9	-159.8	153.1	0	0	0	113.7	I274 L282 E284 I285 L308	I274-I310 HydrophobicContact CD1-CG2 4Å; I274-I310 HydrophobicContact CG1-CG2 4.06Å; L282-I310 HydrophobicContact CB-CD1 4.13Å; L282-I310 HydrophobicContact CD2-CD1 3.63Å; L282-I310 HydrophobicContact CD2-CG1 4.44Å; L282-I310 HydrophobicContact CG-CD1 3.57Å; L282-I310 HydrophobicContact CG-CG1 4.33Å; E284-I310 WeakPolarHBondContact CA-O 3.37Å; I285-I310 HydrophobicContact CD1-CG2 4.2Å; I285-I310 HydrophobicContact CG1-CG2 4.48Å; I285-I310 PolarHBondContact N-O 2.96Å; L308-I310 PolarHBondContact O-N 2.78Å
311	V	98.6	Very high	96.9	Very high	17 Å²	17	59.7 Å²	59.7	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.7	-173.7	-174.1	0	0	0	0	110.7	V270 I274 I285 L287 M305 L308	V270-V311 HydrophobicContact CG1-CG2 3.9Å; I274-V311 HydrophobicContact CD1-CG2 4.29Å; I285-V311 HydrophobicContact CB-CG2 4.25Å; I285-V311 HydrophobicContact CD1-CG2 4.35Å; I285-V311 CarbonylContact O-C 3.53Å; I285-V311 WeakPolarHBondContact O-CA 3.31Å; L287-V311 HydrophobicContact CD1-CG1 3.66Å; L287-V311 HydrophobicContact CG-CG1 3.75Å; M305-V311 HydrophobicContact CB-CB 4.4Å; M305-V311 HydrophobicContact CB-CG1 4.02Å; M305-V311 HydrophobicContact CG-CG1 4.16Å; M305-V311 HydrophobicContact SD-CG1 3.97Å; M305-V311 HydrophobicContact SD-CG2 4.47Å; L308-V311 HydrophobicContact CB-CB 4.32Å; L308-V311 HydrophobicContact CB-CG2 3.69Å; L308-V311 HydrophobicContact CD1-CG2 4.25Å; L308-V311 WeakPolarHBondContact O-CB 3.39Å; L308-V311 PolarHBondContact O-N 2.75Å
312	K	98.1	Very high	96.7	Very high	103 Å²	103	61.9 Å²	61.9	45%	0.448	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	172.5	-62.9	176.3	-177.3	168.9	0	109.6	E284 I285 I286 L287	E284-K312 WeakPolarHBondContact OE2-CD 3.1Å; E284-K312 WeakPolarHBondContact OE2-CE 3.27Å; E284-K312 IonicContact OE2-NZ 3.98Å; E284-K312 PolarHBondContact OE2-NZ 2.78Å; I285-K312 PolarHBondContact O-N 3.33Å; I286-K312 HydrophobicContact CD1-CB 3.87Å; I286-K312 HydrophobicContact CD1-CD 3.9Å; I286-K312 HydrophobicContact CD1-CG 4.36Å; L287-K312 PolarHBondContact N-O 3.23Å
313	I	98.6	Very high	96.6	Very high	45 Å²	45	57.4 Å²	57.4	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.3	174.9	-58	173.6	0	0	0	109	L287 L301 E302 M305 R315	L287-I313 HydrophobicContact CB-CG1 4.29Å; L287-I313 HydrophobicContact CD1-CG1 4.45Å; L287-I313 CarbonylContact O-C 3.57Å; L287-I313 WeakPolarHBondContact O-CA 3.15Å; L301-I313 HydrophobicContact CD2-CD1 4.13Å; L301-I313 HydrophobicContact CG-CD1 3.91Å; E302-I313 HydrophobicContact CG-CD1 3.97Å; M305-I313 HydrophobicContact CB-CD1 4.01Å; M305-I313 HydrophobicContact CB-CG1 4.42Å; M305-I313 HydrophobicContact CG-CD1 4.11Å; I313-R315 HydrophobicContact CG2-CG 3.92Å
314	V	98.6	Very high	96.6	Very high	18 Å²	18	56.5 Å²	56.5	11%	0.109	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.5	172.6	178.3	0	0	0	0	107.8	I286 L287 V288 D289 I328 H332	I286-V314 HydrophobicContact CG2-CB 4.45Å; I286-V314 HydrophobicContact CG2-CG2 3.79Å; L287-V314 PolarHBondContact O-N 3.13Å; V288-V314 CarbonylContact C-O 3.5Å; V288-V314 WeakPolarHBondContact CA-O 3.47Å; D289-V314 PolarHBondContact N-O 2.84Å; V314-I328 HydrophobicContact CG1-CG2 3.76Å; V314-H332 HydrophobicContact CG2-CB 3.79Å
315	R	98.5	Very high	96.5	Very high	73 Å²	73	56.5 Å²	56.5	28%	0.275	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.5	-178.4	-56.4	-166.4	179.6	-82.7	3	111.2	D289 L297 K298 E302 I313	D289-R315 HydrophobicContact CB-CB 4.42Å; D289-R315 HydrophobicContact CB-CG 4.05Å; D289-R315 IonicContact OD2-CZ 3.02Å; D289-R315 IonicContact OD2-NH1 2.87Å; D289-R315 PolarHBondContact OD2-NH1 3.08Å; L297-R315 PolarHBondContact O-NH1 3.07Å; L297-R315 PolarHBondContact O-NH2 2.79Å; K298-R315 PolarHBondContact O-NH2 2.78Å; E302-R315 IonicContact OE1-CZ 2.65Å; E302-R315 VanDerWaalsContact OE1-CZ 3.23Å; E302-R315 IonicContact OE1-NE 3.94Å; E302-R315 PolarHBondContact OE1-NE 3.31Å; E302-R315 IonicContact OE1-NH2 3.16Å; E302-R315 PolarHBondContact OE1-NH2 3.44Å; I313-R315 HydrophobicContact CG2-CG 3.92Å
316	T	97.6	Very high	96.5	Very high	14 Å²	14	56.4 Å²	56.4	9%	0.086	27%	0.273	C	S	.	.			trans	-75.1	152.5	172.3	65.3	0	0	0	0	110.7	V288 D289 D290 F291 R318 E320 I328	V288-T316 HydrophobicContact CG1-CG2 4.33Å; D289-T316 PolarHBondContact O-N 3.18Å; D289-T316 PolarHBondContact O-OG1 2.89Å; D290-T316 WeakPolarHBondContact CA-OG1 3.38Å; D290-T316 PolarHBondContact OD1-OG1 3.38Å; F291-T316 PolarHBondContact N-OG1 2.87Å; F291-T316 VanDerWaalsContact N-OG1 3.1Å; T316-R318 VanDerWaalsContact C-N 3.34Å; T316-R318 WeakPolarHBondContact CB-O 3.47Å; T316-R318 PolarHBondContact OG1-O 2.93Å; T316-E320 HydrophobicContact CG2-CG 4.08Å; T316-I328 HydrophobicContact CG2-CD1 3.87Å
317	K	96	Very high	96.6	Very high	199 Å²	199	54.8 Å²	54.8	87%	0.865	25%	0.251	S	S	*	.	S	Bend	trans	-82.8	-13.8	-179.1	-65.6	-178.1	-179.6	177.2	0	113.5	F291	F291-K317 VanDerWaalsContact CE2-O 3.23Å; F291-K317 WeakPolarHBondContact CE2-O 3.42Å
318	R	94.6	Very high	96.7	Very high	151 Å²	151	52.7 Å²	52.7	57%	0.57	24%	0.241	S	C	*	.	S	Bend	trans	-155.5	167.6	179.4	63.4	-179.8	-177.1	165.2	11.4	108	F291 T316 E320	F291-R318 VanDerWaalsContact CB-C 3.42Å; T316-R318 VanDerWaalsContact C-N 3.34Å; T316-R318 WeakPolarHBondContact CB-O 3.47Å; T316-R318 PolarHBondContact OG1-O 2.93Å; R318-E320 HydrophobicContact CG-CG 4.39Å; R318-E320 WeakPolarHBondContact CG-OE1 3.4Å; R318-E320 IonicContact CZ-OE1 2.68Å; R318-E320 IonicContact CZ-OE2 3.85Å; R318-E320 IonicContact NE-OE1 3.35Å; R318-E320 PolarHBondContact NE-OE1 2.87Å; R318-E320 IonicContact NE-OE2 3.7Å; R318-E320 PolarHBondContact NE-OE2 3.15Å; R318-E320 IonicContact NH2-OE1 3.14Å; R318-E320 IonicContact NH2-OE2 3.39Å; R318-E320 PolarHBondContact NH2-OE2 3.34Å; R318-E320 PolarHBondContact O-N 3.35Å; R318-E320 VanDerWaalsContact O-N 3.1Å
319	R	93.6	Very high	96.7	Very high	62 Å²	62	51.6 Å²	51.6	23%	0.234	24%	0.235	C	C	.	.			trans	-68.9	106.5	173.8	-169.3	68.5	-177	-83.2	7.8	110	H259 D290 F291 W488	H259-R319 VanDerWaalsContact CB-NH2 3.27Å; H259-R319 PolarHBondContact CD2-NH1 2.87Å; H259-R319 PolarHBondContact CD2-NH2 3.3Å; H259-R319 PolarHBondContact CE1-NH1 3.47Å; H259-R319 VanDerWaalsContact ND1-CZ 3.3Å; H259-R319 PolarHBondContact ND1-NE 3.49Å; H259-R319 PolarHBondContact ND1-NH1 2.88Å; H259-R319 PolarHBondContact NE2-NH1 3.24Å; D290-R319 WeakPolarHBondContact O-CD 3.39Å; D290-R319 PolarHBondContact O-NE 3.37Å; D290-R319 WeakPolarHBondContact OD2-CD 3.49Å; D290-R319 IonicContact OD2-CZ 2.77Å; D290-R319 IonicContact OD2-NE 2.84Å; D290-R319 PolarHBondContact OD2-NE 3.32Å; F291-R319 HydrophobicContact CB-CB 4.28Å; R319-W488 HydrophobicContact CG-CE3 4.15Å; R319-W488 HydrophobicContact CG-CZ3 3.85Å; R319-W488 VanDerWaalsContact CZ-CH2 3.42Å
320	E	94	Very high	96.9	Very high	34 Å²	34	44 Å²	44	16%	0.159	20%	0.195	C	C	.	.			trans	-92.3	-28.3	-177.8	-64	-66.8	168.3	0	0	112.2	D290 T316 R318 R324 I328	D290-E320 PolarHBondContact OD1-N 3.15Å; T316-E320 HydrophobicContact CG2-CG 4.08Å; R318-E320 HydrophobicContact CG-CG 4.39Å; R318-E320 WeakPolarHBondContact CG-OE1 3.4Å; R318-E320 IonicContact CZ-OE1 2.68Å; R318-E320 IonicContact CZ-OE2 3.85Å; R318-E320 IonicContact NE-OE1 3.35Å; R318-E320 PolarHBondContact NE-OE1 2.87Å; R318-E320 IonicContact NE-OE2 3.7Å; R318-E320 PolarHBondContact NE-OE2 3.15Å; R318-E320 IonicContact NH2-OE1 3.14Å; R318-E320 IonicContact NH2-OE2 3.39Å; R318-E320 PolarHBondContact NH2-OE2 3.34Å; R318-E320 PolarHBondContact O-N 3.35Å; R318-E320 VanDerWaalsContact O-N 3.1Å; E320-R324 HydrophobicContact CB-CB 3.75Å; E320-R324 PolarHBondContact O-NH1 3.48Å; E320-I328 HydrophobicContact CG-CD1 4.14Å
321	G	93.1	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.208	C	C	.	.			trans	92.3	163.7	-173	0	0	0	0	0	113.8	D290 I323 R324 A325 I449	D290-G321 PolarHBondContact OD1-N 3.44Å; D290-G321 VanDerWaalsContact OD2-CA 3.25Å; D290-G321 WeakPolarHBondContact OD2-CA 3.31Å; D290-G321 PolarHBondContact OD2-N 3.24Å; G321-I323 VanDerWaalsContact C-N 3.35Å; G321-I323 PolarHBondContact O-N 3.06Å; G321-R324 PolarHBondContact O-N 2.72Å; G321-A325 VanDerWaalsContact O-CB 3.24Å; G321-A325 WeakPolarHBondContact O-CB 3.42Å; G321-A325 PolarHBondContact O-N 2.67Å; G321-I449 CarbonylContact C-O 3.52Å
322	L	94.7	Very high	96.9	Very high	45 Å²	45	51.2 Å²	51.2	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-52.9	-47.8	-175.5	-178.1	65.9	0	0	0	112.8	C257 R324 A325 R326 I449 W450	C257-L322 HydrophobicContact CB-CD1 4.07Å; L322-R324 PolarHBondContact O-N 2.69Å; L322-A325 PolarHBondContact O-N 2.9Å; L322-R326 HydrophobicContact CD1-CG 4.28Å; L322-R326 WeakPolarHBondContact O-CB 3.46Å; L322-R326 VanDerWaalsContact O-CG 3.31Å; L322-R326 WeakPolarHBondContact O-CG 3.49Å; L322-R326 PolarHBondContact O-N 3.38Å; L322-I449 PolarHBondContact N-O 3.23Å; L322-W450 HydrophobicContact CB-CB 4.06Å; L322-W450 HydrophobicContact CD2-CB 4.26Å
323	I	95.9	Very high	96.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-50.4	-174.9	-60.6	174	0	0	0	110.6	G321 M327 Y443 M447 I449 E453	G321-I323 VanDerWaalsContact C-N 3.35Å; G321-I323 PolarHBondContact O-N 3.06Å; I323-M327 HydrophobicContact CG2-CE 4.23Å; I323-M327 WeakPolarHBondContact O-CG 3.49Å; I323-M327 PolarHBondContact O-N 3.19Å; I323-Y443 HydrophobicContact CG2-CD2 4.02Å; I323-Y443 HydrophobicContact CG2-CG 4.04Å; I323-M447 HydrophobicContact CD1-CB 3.51Å; I323-M447 HydrophobicContact CD1-CG 4.47Å; I323-M447 HydrophobicContact CD1-SD 4.23Å; I323-I449 PolarHBondContact N-O 2.95Å; I323-I449 VanDerWaalsContact N-O 3.13Å; I323-E453 HydrophobicContact CD1-CB 3.94Å; I323-E453 HydrophobicContact CD1-CG 4.34Å; I323-E453 HydrophobicContact CG1-CB 3.96Å; I323-E453 HydrophobicContact CG1-CG 3.9Å
324	R	96.4	Very high	96.9	Very high	47 Å²	47	48.7 Å²	48.7	18%	0.177	22%	0.222	C	C	.	.	H	α-helix	trans	-72.7	-39.5	-179.2	-67.7	-179.9	-170.7	115.4	-2.5	111.7	E320 G321 L322 R326 M327 I328 S445 M447 E448	E320-R324 HydrophobicContact CB-CB 3.75Å; E320-R324 PolarHBondContact O-NH1 3.48Å; G321-R324 PolarHBondContact O-N 2.72Å; L322-R324 PolarHBondContact O-N 2.69Å; R324-R326 VanDerWaalsContact C-N 3.3Å; R324-R326 PolarHBondContact O-N 3.24Å; R324-M327 HydrophobicContact CB-CE 4.46Å; R324-M327 HydrophobicContact CG-CE 4.05Å; R324-M327 PolarHBondContact O-N 2.81Å; R324-M327 VanDerWaalsContact O-N 3.15Å; R324-I328 VanDerWaalsContact O-CG1 3.29Å; R324-I328 WeakPolarHBondContact O-CG1 3.21Å; R324-I328 PolarHBondContact O-N 3.39Å; R324-S445 PolarHBondContact NH2-O 2.77Å; R324-M447 PolarHBondContact NH2-O 2.77Å; R324-M447 VanDerWaalsContact NH2-O 3.14Å; R324-E448 IonicContact CZ-OE1 3.64Å; R324-E448 IonicContact CZ-OE2 2.77Å; R324-E448 IonicContact NH1-OE1 3.72Å; R324-E448 IonicContact NH1-OE2 3.8Å; R324-E448 PolarHBondContact NH1-OE2 3.13Å; R324-E448 IonicContact NH2-OE1 2.72Å; R324-E448 PolarHBondContact NH2-OE1 2.66Å; R324-E448 IonicContact NH2-OE2 3.59Å; R324-E448 PolarHBondContact NH2-OE2 2.8Å
325	A	97.6	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-42.2	174.5	0	0	0	0	0	111.9	C257 V288 D290 G321 L322 I328 G329	C257-A325 HydrophobicContact CB-CB 4.14Å; C257-A325 VanDerWaalsContact SG-C 3.55Å; V288-A325 HydrophobicContact CG1-CB 3.95Å; D290-A325 HydrophobicContact CB-CB 4.19Å; G321-A325 VanDerWaalsContact O-CB 3.24Å; G321-A325 WeakPolarHBondContact O-CB 3.42Å; G321-A325 PolarHBondContact O-N 2.67Å; L322-A325 PolarHBondContact O-N 2.9Å; A325-I328 PolarHBondContact O-N 2.76Å; A325-G329 PolarHBondContact O-N 3.14Å
326	R	98.2	Very high	96.9	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.8	-75	177.7	175.5	-167.1	-5.3	112.4	C257 L322 R324 G329 A330 F340 D342 G427 G428 Y443	C257-R326 PolarHBondContact SG-N 3.15Å; L322-R326 HydrophobicContact CD1-CG 4.28Å; L322-R326 WeakPolarHBondContact O-CB 3.46Å; L322-R326 VanDerWaalsContact O-CG 3.31Å; L322-R326 WeakPolarHBondContact O-CG 3.49Å; L322-R326 PolarHBondContact O-N 3.38Å; R324-R326 VanDerWaalsContact C-N 3.3Å; R324-R326 PolarHBondContact O-N 3.24Å; R326-G329 PolarHBondContact O-N 2.93Å; R326-A330 WeakPolarHBondContact O-CB 3.25Å; R326-A330 PolarHBondContact O-N 3.1Å; R326-F340 HydrophobicContact CB-CD1 3.97Å; R326-F340 HydrophobicContact CB-CE1 3.66Å; R326-F340 HydrophobicContact CG-CD1 3.77Å; R326-F340 HydrophobicContact CG-CE1 4.01Å; R326-F340 WeakPolarHBondContact O-CE1 3.21Å; R326-D342 IonicContact NH2-OD1 3.19Å; R326-D342 PolarHBondContact NH2-OD1 3.02Å; R326-G427 VanDerWaalsContact CZ-O 3.27Å; R326-G427 PolarHBondContact NH1-O 3.34Å; R326-G427 PolarHBondContact NH2-O 2.85Å; R326-G428 PolarHBondContact NH2-O 3.47Å; R326-G428 VanDerWaalsContact NH2-O 3.12Å; R326-Y443 HydrophobicContact CB-CE2 4.15Å; R326-Y443 PolarHBondContact NH1-OH 2.86Å; R326-Y443 VanDerWaalsContact NH1-OH 3.09Å
327	M	97.9	Very high	96.9	Very high	20 Å²	20	50.7 Å²	50.7	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-40.4	176.2	-68.3	-171.6	-65.1	0	0	112.1	I323 R324 A330 E331 K442 Y443	I323-M327 HydrophobicContact CG2-CE 4.23Å; I323-M327 WeakPolarHBondContact O-CG 3.49Å; I323-M327 PolarHBondContact O-N 3.19Å; R324-M327 HydrophobicContact CB-CE 4.46Å; R324-M327 HydrophobicContact CG-CE 4.05Å; R324-M327 PolarHBondContact O-N 2.81Å; R324-M327 VanDerWaalsContact O-N 3.15Å; M327-A330 WeakPolarHBondContact O-CB 3.29Å; M327-A330 PolarHBondContact O-N 3.45Å; M327-E331 WeakPolarHBondContact O-CG 3.33Å; M327-E331 PolarHBondContact O-N 3.07Å; M327-K442 HydrophobicContact CG-CB 4.41Å; M327-K442 HydrophobicContact SD-CB 4.09Å; M327-K442 HydrophobicContact SD-CD 4.49Å; M327-Y443 HydrophobicContact CG-CD2 4.27Å
328	I	98.4	Very high	97.1	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-44.7	173.8	-69.8	166.2	0	0	0	110.5	V288 V314 T316 E320 R324 A325 A330 E331 H332	V288-I328 HydrophobicContact CG1-CG2 4.47Å; V314-I328 HydrophobicContact CG1-CG2 3.76Å; T316-I328 HydrophobicContact CG2-CD1 3.87Å; E320-I328 HydrophobicContact CG-CD1 4.14Å; R324-I328 VanDerWaalsContact O-CG1 3.29Å; R324-I328 WeakPolarHBondContact O-CG1 3.21Å; R324-I328 PolarHBondContact O-N 3.39Å; A325-I328 PolarHBondContact O-N 2.76Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 2.72Å; I328-E331 PolarHBondContact O-N 2.96Å; I328-H332 PolarHBondContact O-N 3.29Å; I328-H332 PolarHBondContact O-ND1 2.82Å
329	G	98.4	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-39.5	174.9	0	0	0	0	0	112.9	A325 R326 E331 H332 S333	A325-G329 PolarHBondContact O-N 3.14Å; R326-G329 PolarHBondContact O-N 2.93Å; G329-E331 VanDerWaalsContact C-N 3.3Å; G329-E331 PolarHBondContact O-N 3.32Å; G329-H332 PolarHBondContact O-N 3.37Å; G329-S333 WeakPolarHBondContact O-CB 3.37Å; G329-S333 PolarHBondContact O-N 3.32Å; G329-S333 VanDerWaalsContact O-N 3.15Å; G329-S333 PolarHBondContact O-OG 2.81Å
330	A	98.4	Very high	97.5	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-38.1	174.1	0	0	0	0	0	111.8	I255 R326 M327 I328 S333 L338 F340 R434 F437	I255-A330 HydrophobicContact CD1-CB 4.26Å; R326-A330 WeakPolarHBondContact O-CB 3.25Å; R326-A330 PolarHBondContact O-N 3.1Å; M327-A330 WeakPolarHBondContact O-CB 3.29Å; M327-A330 PolarHBondContact O-N 3.45Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 2.72Å; A330-S333 WeakPolarHBondContact CA-OG 3.49Å; A330-S333 PolarHBondContact O-N 3.37Å; A330-S333 PolarHBondContact O-OG 3.08Å; A330-L338 HydrophobicContact CB-CD1 3.83Å; A330-F340 HydrophobicContact CB-CZ 4.26Å; A330-R434 PolarHBondContact O-NH1 3.2Å; A330-F437 HydrophobicContact CB-CD1 4.45Å; A330-F437 HydrophobicContact CB-CE1 4.13Å
331	E	98.1	Very high	97.7	Very high	117 Å²	117	29.8 Å²	29.8	55%	0.547	15%	0.145	S	C	.	.	H	α-helix	trans	-71	-31.1	178	-74.1	168	-172.1	0	0	113.5	M327 I328 G329 K442	M327-E331 WeakPolarHBondContact O-CG 3.33Å; M327-E331 PolarHBondContact O-N 3.07Å; I328-E331 PolarHBondContact O-N 2.96Å; G329-E331 VanDerWaalsContact C-N 3.3Å; G329-E331 PolarHBondContact O-N 3.32Å; E331-K442 IonicContact OE1-NZ 2.96Å; E331-K442 PolarHBondContact OE1-NZ 3.1Å
332	H	98.2	Very high	98	Very high	102 Å²	102	31.1 Å²	31.1	47%	0.472	15%	0.152	S	C	.	.	H	α-helix	trans	-87.8	-5.2	178.2	-71.3	75.4	0	0	0	114	V314 I328 G329	V314-H332 HydrophobicContact CG2-CB 3.79Å; I328-H332 PolarHBondContact O-N 3.29Å; I328-H332 PolarHBondContact O-ND1 2.82Å; G329-H332 PolarHBondContact O-N 3.37Å
333	S	98.2	Very high	98.1	Very high	7 Å²	7	29.1 Å²	29.1	5%	0.049	14%	0.142	C	C	.	.			trans	-94.2	161.8	179.7	57.2	0	0	0	0	112.2	E284 G329 A330 L338 R434	E284-S333 VanDerWaalsContact OE1-CA 3.25Å; E284-S333 WeakPolarHBondContact OE1-CA 3.49Å; G329-S333 WeakPolarHBondContact O-CB 3.37Å; G329-S333 PolarHBondContact O-N 3.32Å; G329-S333 VanDerWaalsContact O-N 3.15Å; G329-S333 PolarHBondContact O-OG 2.81Å; A330-S333 WeakPolarHBondContact CA-OG 3.49Å; A330-S333 PolarHBondContact O-N 3.37Å; A330-S333 PolarHBondContact O-OG 3.08Å; S333-L338 VanDerWaalsContact OG-CD2 3.29Å; S333-L338 WeakPolarHBondContact OG-CD2 3.35Å; S333-R434 VanDerWaalsContact CB-NH2 3.33Å; S333-R434 PolarHBondContact O-NH1 2.91Å; S333-R434 PolarHBondContact O-NH2 2.91Å; S333-R434 PolarHBondContact OG-NH1 3.22Å; S333-R434 PolarHBondContact OG-NH2 3.34Å
334	T	98.2	Very high	98.3	Very high	89 Å²	89	29.7 Å²	29.7	55%	0.546	14%	0.144	S	C	.	.			trans	-129.7	-15.6	-171.6	58.3	0	0	0	0	113.8	S253 E284 R434	S253-T334 PolarHBondContact OG-N 2.99Å; E284-T334 PolarHBondContact OE1-N 3.25Å; E284-T334 PolarHBondContact OE1-OG1 3.06Å; T334-R434 VanDerWaalsContact N-NH2 3.15Å
335	G	98.2	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-64.1	153.6	178.2	0	0	0	0	0	112.7	S253 V337 R434	S253-G335 VanDerWaalsContact OG-CA 3.29Å; S253-G335 WeakPolarHBondContact OG-CA 3.43Å; S253-G335 PolarHBondContact OG-N 2.62Å; G335-V337 VanDerWaalsContact C-N 3.32Å; G335-R434 PolarHBondContact O-NE 2.74Å; G335-R434 PolarHBondContact O-NH2 3.46Å
336	K	98.5	Very high	98.4	Very high	145 Å²	145	27.7 Å²	27.7	63%	0.63	14%	0.137	S	C	*	.	S	Bend	trans	-68.3	-33.7	179.3	-68.3	-175.8	179.1	-179.6	0	112	P250 S251 R434	P250-K336 HydrophobicContact CB-CB 4Å; P250-K336 HydrophobicContact CB-CD 4.26Å; S251-K336 PolarHBondContact O-N 3.09Å; K336-R434 WeakPolarHBondContact O-CB 3.33Å; K336-R434 PolarHBondContact O-N 2.75Å
337	V	98.9	Very high	98.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.3	174.5	177	0	0	0	0	109.7	P250 S251 A252 S253 G335 V339 L356 I359 A431	P250-V337 HydrophobicContact CB-CG2 3.91Å; P250-V337 HydrophobicContact CG-CG2 3.59Å; S251-V337 PolarHBondContact O-N 3.02Å; A252-V337 WeakPolarHBondContact CA-O 3.37Å; S253-V337 PolarHBondContact N-O 3.19Å; G335-V337 VanDerWaalsContact C-N 3.32Å; V337-V339 HydrophobicContact CG1-CG2 4.07Å; V337-L356 HydrophobicContact CB-CD2 3.85Å; V337-L356 HydrophobicContact CG1-CD2 3.73Å; V337-L356 HydrophobicContact CG2-CD2 3.93Å; V337-I359 HydrophobicContact CG1-CD1 3.56Å; V337-I359 HydrophobicContact CG2-CB 4.35Å; V337-I359 HydrophobicContact CG2-CD1 4.15Å; V337-I359 HydrophobicContact CG2-CG2 3.81Å; V337-A431 HydrophobicContact CG1-CB 4.03Å
338	L	98.9	Very high	98.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.6	168.7	-54.6	178.3	0	0	0	108	I255 A330 S333 F340 A431 I432 R434 F437	I255-L338 HydrophobicContact CD1-CB 4.4Å; I255-L338 HydrophobicContact CD1-CD2 4.07Å; A330-L338 HydrophobicContact CB-CD1 3.83Å; S333-L338 VanDerWaalsContact OG-CD2 3.29Å; S333-L338 WeakPolarHBondContact OG-CD2 3.35Å; L338-F340 HydrophobicContact CB-CD2 4.47Å; L338-F340 HydrophobicContact CB-CE2 3.8Å; L338-F340 HydrophobicContact CB-CZ 4.27Å; L338-F340 HydrophobicContact CD1-CE2 4.26Å; L338-F340 HydrophobicContact CD1-CZ 4.21Å; L338-A431 CarbonylContact O-C 3.48Å; L338-A431 VanDerWaalsContact O-CA 3.25Å; L338-A431 WeakPolarHBondContact O-CA 3.41Å; L338-I432 HydrophobicContact CB-CG2 4.08Å; L338-I432 PolarHBondContact N-O 3.17Å; L338-I432 PolarHBondContact O-N 2.87Å; L338-R434 HydrophobicContact CD1-CB 4.47Å; L338-R434 HydrophobicContact CD2-CB 4.43Å; L338-R434 HydrophobicContact CG-CB 4.16Å; L338-F437 HydrophobicContact CD1-CB 4.23Å; L338-F437 HydrophobicContact CD1-CD1 3.62Å; L338-F437 HydrophobicContact CD1-CE1 4.36Å; L338-F437 HydrophobicContact CD1-CG 4.22Å
339	V	98.9	Very high	98.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.1	172.2	-173.1	0	0	0	0	107.8	A252 S253 I254 I255 V337 L341 W351 L352 F430 A431	A252-V339 HydrophobicContact CB-CG2 4Å; S253-V339 PolarHBondContact O-N 2.9Å; I254-V339 CarbonylContact C-O 3.59Å; I254-V339 WeakPolarHBondContact CA-O 3.2Å; I254-V339 HydrophobicContact CD1-CB 3.54Å; I254-V339 HydrophobicContact CD1-CG1 4.04Å; I254-V339 HydrophobicContact CD1-CG2 3.74Å; I255-V339 PolarHBondContact N-O 2.93Å; V337-V339 HydrophobicContact CG1-CG2 4.07Å; V339-L341 HydrophobicContact CG1-CD2 4.4Å; V339-L341 HydrophobicContact CG1-CG 4.3Å; V339-W351 HydrophobicContact CG1-CH2 4.01Å; V339-W351 HydrophobicContact CG1-CZ3 4.04Å; V339-L352 HydrophobicContact CG2-CD1 4.28Å; V339-F430 CarbonylContact C-O 3.52Å; V339-F430 WeakPolarHBondContact CA-O 3.22Å; V339-A431 HydrophobicContact CB-CB 4.43Å; V339-A431 HydrophobicContact CG1-CB 4.38Å; V339-A431 HydrophobicContact CG2-CB 3.86Å
340	F	98.8	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.5	176.5	-64.4	-85.5	0	0	0	109.1	I255 R326 A330 L338 L429 F430 I432 F437	I255-F340 HydrophobicContact CB-CD1 3.86Å; I255-F340 HydrophobicContact CB-CE1 4.05Å; I255-F340 HydrophobicContact CD1-CD1 4.13Å; I255-F340 HydrophobicContact CD1-CE1 3.51Å; I255-F340 HydrophobicContact CD1-CZ 3.79Å; I255-F340 HydrophobicContact CG1-CE1 4.4Å; I255-F340 HydrophobicContact CG2-CD1 3.93Å; I255-F340 HydrophobicContact CG2-CE1 3.96Å; R326-F340 HydrophobicContact CB-CD1 3.97Å; R326-F340 HydrophobicContact CB-CE1 3.66Å; R326-F340 HydrophobicContact CG-CD1 3.77Å; R326-F340 HydrophobicContact CG-CE1 4.01Å; R326-F340 WeakPolarHBondContact O-CE1 3.21Å; A330-F340 HydrophobicContact CB-CZ 4.26Å; L338-F340 HydrophobicContact CB-CD2 4.47Å; L338-F340 HydrophobicContact CB-CE2 3.8Å; L338-F340 HydrophobicContact CB-CZ 4.27Å; L338-F340 HydrophobicContact CD1-CE2 4.26Å; L338-F340 HydrophobicContact CD1-CZ 4.21Å; F340-L429 VanDerWaalsContact O-CA 3.29Å; F340-L429 WeakPolarHBondContact O-CA 3.41Å; F340-F430 HydrophobicContact CB-CD1 3.95Å; F340-F430 HydrophobicContact CB-CE1 3.65Å; F340-F430 HydrophobicContact CB-CZ 4.2Å; F340-F430 HydrophobicContact CD2-CD1 4.21Å; F340-F430 HydrophobicContact CD2-CD2 4.18Å; F340-F430 AromaticContact CD2-CE1 3.51Å; F340-F430 HydrophobicContact CD2-CE1 3.51Å; F340-F430 AromaticContact CD2-CE2 3.5Å; F340-F430 HydrophobicContact CD2-CE2 3.5Å; F340-F430 VanDerWaalsContact CD2-CE2 3.5Å; F340-F430 AromaticContact CD2-CZ 3.11Å; F340-F430 HydrophobicContact CD2-CZ 3.11Å; F340-F430 HydrophobicContact CE2-CE1 4.37Å; F340-F430 AromaticContact CE2-CE2 3.85Å; F340-F430 HydrophobicContact CE2-CE2 3.85Å; F340-F430 AromaticContact CE2-CZ 3.57Å; F340-F430 HydrophobicContact CE2-CZ 3.57Å; F340-F430 HydrophobicContact CG-CD1 4.44Å; F340-F430 AromaticContact CG-CE1 3.74Å; F340-F430 HydrophobicContact CG-CE1 3.74Å; F340-F430 AromaticContact CG-CZ 3.8Å; F340-F430 HydrophobicContact CG-CZ 3.8Å; F340-F430 PolarHBondContact N-O 3.42Å; F340-F430 PolarHBondContact O-N 2.94Å; F340-F430 VanDerWaalsContact O-N 3.16Å; F340-I432 HydrophobicContact CE2-CG2 4.24Å; F340-F437 HydrophobicContact CZ-CE1 4.24Å; F340-F437 HydrophobicContact CZ-CZ 4.46Å
341	L	98.8	Very high	98.3	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.9	174.7	-63.2	177.3	0	0	0	109.4	I254 I255 I256 V273 V339 I345 W351 L429	I254-L341 HydrophobicContact CG2-CD1 3.67Å; I254-L341 HydrophobicContact CG2-CG 4.22Å; I255-L341 PolarHBondContact O-N 3.44Å; I256-L341 WeakPolarHBondContact CA-O 3.37Å; I256-L341 HydrophobicContact CG1-CB 4.25Å; V273-L341 HydrophobicContact CG2-CD1 3.8Å; V339-L341 HydrophobicContact CG1-CD2 4.4Å; V339-L341 HydrophobicContact CG1-CG 4.3Å; L341-I345 HydrophobicContact CB-CG1 4.21Å; L341-I345 HydrophobicContact CD1-CD1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.36Å; L341-W351 HydrophobicContact CD1-CH2 3.84Å; L341-W351 HydrophobicContact CD1-CZ3 4.25Å; L341-W351 HydrophobicContact CD2-CZ3 4.21Å; L341-L429 HydrophobicContact CD2-CB 4.21Å; L341-L429 HydrophobicContact CD2-CD2 4.07Å; L341-L429 HydrophobicContact CD2-CG 3.83Å
342	D	97.8	Very high	98.3	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.15	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	163.5	169.7	-73.1	-4.5	0	0	0	111	R326 H344 I345 G428 L429 H478	R326-D342 IonicContact NH2-OD1 3.19Å; R326-D342 PolarHBondContact NH2-OD1 3.02Å; D342-H344 PolarHBondContact O-N 3.29Å; D342-H344 IonicContact OD2-NE2 3.02Å; D342-I345 HydrophobicContact CB-CG2 4.14Å; D342-I345 VanDerWaalsContact O-CG1 3.27Å; D342-I345 WeakPolarHBondContact O-CG1 3.35Å; D342-G428 WeakPolarHBondContact OD1-CA 3.48Å; D342-L429 HydrophobicContact CB-CD1 4.41Å; D342-H478 IonicContact OD2-CD2 3.08Å; D342-H478 IonicContact OD2-CE1 2.65Å; D342-H478 IonicContact OD2-NE2 3.83Å; D342-H478 PolarHBondContact OD2-NE2 3.42Å
343	S	98.4	Very high	98.3	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	-77.2	-0.1	-176	54.8	0	0	0	0	115.6	E261 S269	E261-S343 WeakPolarHBondContact OE2-CB 3.32Å; E261-S343 PolarHBondContact OE2-OG 2.82Å; S269-S343 PolarHBondContact OG-O 3.06Å
344	H	98.3	Very high	98.3	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.065	10%	0.098	C	C	.	.	S	Bend	trans	-132.7	58.6	-173.7	41.9	-80.9	0	0	0	110.6	E261 V265 S269 D342 H478 I479 R481	E261-H344 IonicContact OE2-CG 2.62Å; E261-H344 IonicContact OE2-ND1 3.4Å; E261-H344 PolarHBondContact OE2-ND1 3.41Å; V265-H344 HydrophobicContact CG1-CB 3.52Å; S269-H344 PolarHBondContact OG-N 2.93Å; D342-H344 PolarHBondContact O-N 3.29Å; D342-H344 IonicContact OD2-NE2 3.02Å; H344-H478 AromaticContact CD2-CD2 3.82Å; H344-H478 AromaticContact CD2-CE1 3.73Å; H344-H478 AromaticContact CD2-NE2 3.37Å; H344-H478 PolarHBondContact CD2-NE2 2.86Å; H344-H478 AromaticContact NE2-CE1 3.59Å; H344-H478 AromaticContact NE2-NE2 3.16Å; H344-H478 PolarHBondContact NE2-NE2 3.05Å; H344-H478 VanDerWaalsContact NE2-NE2 3.16Å; H344-I479 HydrophobicContact CB-CB 4.18Å; H344-I479 HydrophobicContact CB-CD1 4.07Å; H344-I479 HydrophobicContact CB-CG1 4.25Å; H344-I479 PolarHBondContact CD2-O 3.4Å; H344-I479 PolarHBondContact O-N 3.34Å; H344-R481 VanDerWaalsContact CE1-CZ 3.49Å; H344-R481 PolarHBondContact CE1-NH2 3.09Å; H344-R481 VanDerWaalsContact CG-NH2 3.35Å; H344-R481 PolarHBondContact ND1-NH2 3.47Å
345	I	98.5	Very high	98.3	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.8	-177.2	61	84.3	0	0	0	111.3	S269 V273 L341 D342 L429 V476 G477 H478	S269-I345 VanDerWaalsContact CA-O 3.32Å; S269-I345 WeakPolarHBondContact CA-O 3.31Å; S269-I345 PolarHBondContact OG-N 2.97Å; S269-I345 PolarHBondContact OG-O 3.43Å; S269-I345 VanDerWaalsContact OG-O 3.13Å; V273-I345 HydrophobicContact CG2-CD1 4.38Å; L341-I345 HydrophobicContact CB-CG1 4.21Å; L341-I345 HydrophobicContact CD1-CD1 3.96Å; L341-I345 HydrophobicContact CD1-CG1 4.36Å; D342-I345 HydrophobicContact CB-CG2 4.14Å; D342-I345 VanDerWaalsContact O-CG1 3.27Å; D342-I345 WeakPolarHBondContact O-CG1 3.35Å; I345-L429 HydrophobicContact CG2-CD1 4.23Å; I345-L429 HydrophobicContact CG2-CD2 4.09Å; I345-L429 HydrophobicContact CG2-CG 4.39Å; I345-V476 HydrophobicContact CB-CG1 3.89Å; I345-V476 HydrophobicContact CD1-CG1 4.44Å; I345-V476 HydrophobicContact CG2-CG1 4.31Å; I345-G477 CarbonylContact C-O 3.57Å; I345-G477 WeakPolarHBondContact CA-O 3.49Å; I345-G477 WeakPolarHBondContact CB-O 3.2Å; I345-H478 HydrophobicContact CG2-CB 4.47Å
346	E	98.7	Very high	98.3	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.014	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	111.5	165	-64.5	-177.9	-120.4	0	0	110.2	R230 L232 R268 I374 M381 G477	R230-E346 IonicContact CZ-OE1 3.46Å; R230-E346 IonicContact CZ-OE2 2.79Å; R230-E346 VanDerWaalsContact NE-CD 3.29Å; R230-E346 IonicContact NE-OE1 2.82Å; R230-E346 PolarHBondContact NE-OE1 3.42Å; R230-E346 VanDerWaalsContact NE-OE1 3.14Å; R230-E346 IonicContact NE-OE2 3.95Å; R230-E346 PolarHBondContact NE-OE2 3.22Å; R230-E346 IonicContact NH1-OE1 3.51Å; R230-E346 VanDerWaalsContact NH2-CD 3.3Å; R230-E346 IonicContact NH2-OE1 3.48Å; R230-E346 PolarHBondContact NH2-OE1 3.1Å; R230-E346 IonicContact NH2-OE2 3.44Å; R230-E346 PolarHBondContact NH2-OE2 3.4Å; L232-E346 HydrophobicContact CD1-CB 4.03Å; R268-E346 VanDerWaalsContact CD-OE1 3.27Å; R268-E346 WeakPolarHBondContact CD-OE1 3.48Å; R268-E346 WeakPolarHBondContact CD-OE2 3.27Å; R268-E346 HydrophobicContact CG-CG 3.94Å; E346-I374 HydrophobicContact CB-CD1 4.11Å; E346-I374 HydrophobicContact CG-CD1 3.94Å; E346-M381 HydrophobicContact CB-CE 4.05Å; E346-G477 PolarHBondContact N-O 2.96Å; E346-G477 PolarHBondContact O-N 3.26Å
347	C	98.7	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	145.4	172.9	-63.2	0	0	0	0	110.4	S272 R276 W351	S272-C347 PolarHBondContact OG-N 3.39Å; R276-C347 WeakPolarHBondContact CD-O 3.28Å; R276-C347 PolarHBondContact NE-O 3.03Å; C347-W351 HydrophobicContact CB-CD2 3.82Å; C347-W351 HydrophobicContact CB-CG 3.8Å; C347-W351 HydrophobicContact CB-CZ2 4.37Å; C347-W351 VanDerWaalsContact SG-CZ2 3.54Å
348	T	98	Very high	98.2	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-103.9	172.8	175.3	70.9	0	0	0	0	111.4	Y235 G350 W351 L475	Y235-T348 HydrophobicContact CD2-CG2 3.78Å; Y235-T348 HydrophobicContact CE2-CG2 4.24Å; T348-G350 PolarHBondContact O-N 3.43Å; T348-W351 WeakPolarHBondContact O-CB 3.46Å; T348-W351 PolarHBondContact O-N 3.23Å; T348-L475 HydrophobicContact CG2-CB 4.18Å; T348-L475 PolarHBondContact N-O 3.46Å; T348-L475 PolarHBondContact OG1-O 2.99Å
349	T	96.9	Very high	98.2	Very high	46 Å²	46	10 Å²	10	28%	0.282	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132.4	174.7	-59.4	0	0	0	0	111	R236 W351	R236-T349 WeakPolarHBondContact CD-O 3.36Å; T349-W351 VanDerWaalsContact C-N 3.33Å; T349-W351 PolarHBondContact O-N 2.86Å
350	G	96.6	Very high	98.2	Very high	6 Å²	6	12.4 Å²	12.4	6%	0.062	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	23.1	175.4	0	0	0	0	0	115	T348 P354	T348-G350 PolarHBondContact O-N 3.43Å; G350-P354 WeakPolarHBondContact O-CD 3.37Å; G350-P354 VanDerWaalsContact O-CG 3.24Å; G350-P354 WeakPolarHBondContact O-CG 3.28Å
351	W	98.1	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.			trans	-74.5	-31.1	-175.6	78.5	-72.6	0	0	0	113.7	I254 V273 R276 S277 V339 L341 C347 T348 T349 L355 S474 V476	I254-W351 HydrophobicContact CD1-CH2 4.06Å; I254-W351 HydrophobicContact CD1-CZ2 4.41Å; V273-W351 HydrophobicContact CG1-CZ2 4.45Å; V273-W351 HydrophobicContact CG2-CZ2 4.44Å; R276-W351 VanDerWaalsContact O-CD1 3.3Å; R276-W351 PolarHBondContact O-NE1 3.37Å; S277-W351 PolarHBondContact OG-NE1 2.75Å; V339-W351 HydrophobicContact CG1-CH2 4.01Å; V339-W351 HydrophobicContact CG1-CZ3 4.04Å; L341-W351 HydrophobicContact CD1-CH2 3.84Å; L341-W351 HydrophobicContact CD1-CZ3 4.25Å; L341-W351 HydrophobicContact CD2-CZ3 4.21Å; C347-W351 HydrophobicContact CB-CD2 3.82Å; C347-W351 HydrophobicContact CB-CG 3.8Å; C347-W351 HydrophobicContact CB-CZ2 4.37Å; C347-W351 VanDerWaalsContact SG-CZ2 3.54Å; T348-W351 WeakPolarHBondContact O-CB 3.46Å; T348-W351 PolarHBondContact O-N 3.23Å; T349-W351 VanDerWaalsContact C-N 3.33Å; T349-W351 PolarHBondContact O-N 2.86Å; W351-L355 HydrophobicContact CE3-CD1 4.04Å; W351-L355 HydrophobicContact CZ3-CD1 4.09Å; W351-L355 WeakPolarHBondContact O-CG 3.5Å; W351-S474 VanDerWaalsContact O-CB 3.31Å; W351-S474 WeakPolarHBondContact O-CB 3.39Å; W351-S474 PolarHBondContact O-OG 2.85Å; W351-V476 HydrophobicContact CD2-CG2 4.29Å; W351-V476 HydrophobicContact CE3-CG2 3.61Å; W351-V476 HydrophobicContact CZ3-CG2 4.23Å
352	L	98.4	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-89.2	-47	-166.1	-179	60.2	0	0	0	112.4	A252 L281 V339 L355 L356	A252-L352 HydrophobicContact CB-CD1 4.24Å; A252-L352 HydrophobicContact CB-CD2 4.47Å; L281-L352 HydrophobicContact CB-CD2 4.17Å; V339-L352 HydrophobicContact CG2-CD1 4.28Å; L352-L355 WeakPolarHBondContact O-CB 3.33Å; L352-L355 PolarHBondContact O-N 3.46Å; L352-L356 HydrophobicContact CD1-CD1 3.96Å; L352-L356 HydrophobicContact CD1-CD2 4.27Å; L352-L356 HydrophobicContact CD1-CG 3.96Å; L352-L356 HydrophobicContact CD2-CD1 4.1Å; L352-L356 HydrophobicContact CG-CD1 3.67Å; L352-L356 HydrophobicContact CG-CG 4.09Å; L352-L356 WeakPolarHBondContact O-CG 3.48Å; L352-L356 PolarHBondContact O-N 3.26Å; L352-L356 VanDerWaalsContact O-N 3.11Å
353	E	98.1	Very high	98	Very high	43 Å²	43	22.1 Å²	22.1	20%	0.201	12%	0.123	C	C	.	.	H	α-helix	trans	-50.8	-50.2	-177.9	-53.9	94.3	130.3	0	0	113.3	Y245 L249 P278 L281 L355 L356 D357	Y245-E353 HydrophobicContact CD2-CB 3.44Å; Y245-E353 VanDerWaalsContact CD2-CB 3.44Å; Y245-E353 HydrophobicContact CD2-CG 4.45Å; Y245-E353 HydrophobicContact CE2-CB 3.94Å; Y245-E353 HydrophobicContact CG-CB 4.05Å; L249-E353 HydrophobicContact CD1-CB 4.12Å; P278-E353 HydrophobicContact CG-CG 3.83Å; P278-E353 VanDerWaalsContact CG-OE1 3.28Å; P278-E353 WeakPolarHBondContact CG-OE1 3.46Å; L281-E353 HydrophobicContact CD1-CG 3.96Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 3.15Å; E353-L356 PolarHBondContact O-N 2.95Å; E353-D357 WeakPolarHBondContact O-CB 3.42Å; E353-D357 PolarHBondContact O-N 3.12Å
354	P	98	Very high	98	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-31.1	177.2	19.6	-32.2	0	0	0	114.1	Y245 G350 R358 V471 C473	Y245-P354 HydrophobicContact CE1-CB 4.05Å; Y245-P354 HydrophobicContact CE2-CB 4.4Å; Y245-P354 WeakPolarHBondContact OH-CB 3.41Å; G350-P354 WeakPolarHBondContact O-CD 3.37Å; G350-P354 VanDerWaalsContact O-CG 3.24Å; G350-P354 WeakPolarHBondContact O-CG 3.28Å; P354-R358 WeakPolarHBondContact O-CG 3.46Å; P354-V471 HydrophobicContact CB-CG1 3.7Å; P354-C473 HydrophobicContact CB-CB 4.11Å; P354-C473 HydrophobicContact CG-CB 4.33Å
355	L	98.6	Very high	98	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-46.8	176.6	-58.8	177	0	0	0	110.3	W351 L352 E353 D357 R358 I359 V367 A431 V471 S474	W351-L355 HydrophobicContact CE3-CD1 4.04Å; W351-L355 HydrophobicContact CZ3-CD1 4.09Å; W351-L355 WeakPolarHBondContact O-CG 3.5Å; L352-L355 WeakPolarHBondContact O-CB 3.33Å; L352-L355 PolarHBondContact O-N 3.46Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 3.15Å; L355-D357 VanDerWaalsContact C-N 3.33Å; L355-D357 PolarHBondContact O-N 3.43Å; L355-R358 PolarHBondContact O-N 3.16Å; L355-I359 PolarHBondContact O-N 2.85Å; L355-V367 HydrophobicContact CB-CG2 3.78Å; L355-V367 HydrophobicContact CD2-CB 4.09Å; L355-V367 HydrophobicContact CD2-CG2 3.77Å; L355-V367 HydrophobicContact CG-CG2 4.34Å; L355-A431 HydrophobicContact CB-CB 4.45Å; L355-V471 HydrophobicContact CD2-CB 3.85Å; L355-V471 HydrophobicContact CD2-CG1 4.4Å; L355-V471 HydrophobicContact CD2-CG2 3.95Å; L355-S474 WeakPolarHBondContact CG-OG 3.37Å
356	L	98.7	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-32.7	-178.6	-60.3	179.8	0	0	0	112.4	L249 P250 A252 L281 V337 L352 E353 R358 I359 A360	L249-L356 HydrophobicContact CB-CB 4.21Å; L249-L356 HydrophobicContact CD1-CB 4.27Å; L249-L356 HydrophobicContact CD2-CB 4.47Å; P250-L356 HydrophobicContact CG-CB 4.4Å; P250-L356 HydrophobicContact CG-CD2 4.47Å; P250-L356 WeakPolarHBondContact O-CD1 3.41Å; A252-L356 HydrophobicContact CB-CD1 4.25Å; A252-L356 HydrophobicContact CB-CD2 4.01Å; L281-L356 HydrophobicContact CB-CD1 4.03Å; L281-L356 HydrophobicContact CD1-CD1 4.04Å; L281-L356 HydrophobicContact CG-CD1 4.44Å; V337-L356 HydrophobicContact CB-CD2 3.85Å; V337-L356 HydrophobicContact CG1-CD2 3.73Å; V337-L356 HydrophobicContact CG2-CD2 3.93Å; L352-L356 HydrophobicContact CD1-CD1 3.96Å; L352-L356 HydrophobicContact CD1-CD2 4.27Å; L352-L356 HydrophobicContact CD1-CG 3.96Å; L352-L356 HydrophobicContact CD2-CD1 4.1Å; L352-L356 HydrophobicContact CG-CD1 3.67Å; L352-L356 HydrophobicContact CG-CG 4.09Å; L352-L356 WeakPolarHBondContact O-CG 3.48Å; L352-L356 PolarHBondContact O-N 3.26Å; L352-L356 VanDerWaalsContact O-N 3.11Å; E353-L356 PolarHBondContact O-N 2.95Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.47Å; L356-I359 PolarHBondContact O-N 3.39Å; L356-A360 VanDerWaalsContact O-CB 3.26Å; L356-A360 WeakPolarHBondContact O-CB 3.29Å; L356-A360 PolarHBondContact O-N 2.85Å
357	D	98.1	Very high	98	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.144	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-42.1	176.4	-175.6	80	0	0	0	112.1	Y245 L249 E353 L355 A360 Y361	Y245-D357 HydrophobicContact CD1-CB 3.69Å; Y245-D357 HydrophobicContact CE1-CB 4.31Å; Y245-D357 HydrophobicContact CG-CB 4.45Å; L249-D357 HydrophobicContact CD2-CB 4.09Å; E353-D357 WeakPolarHBondContact O-CB 3.42Å; E353-D357 PolarHBondContact O-N 3.12Å; L355-D357 VanDerWaalsContact C-N 3.33Å; L355-D357 PolarHBondContact O-N 3.43Å; D357-A360 PolarHBondContact O-N 2.8Å; D357-Y361 PolarHBondContact O-N 2.99Å
358	R	97.9	Very high	98	Very high	17 Å²	17	23 Å²	23	6%	0.064	13%	0.13	C	C	.	.	H	α-helix	trans	-66.3	-43.1	177.4	-59.3	-52.5	-66.1	152.8	-1.8	112.5	P354 L355 L356 A360 Y361 N362 I365 V367 P419 E469 V471	P354-R358 WeakPolarHBondContact O-CG 3.46Å; L355-R358 PolarHBondContact O-N 3.16Å; L356-R358 VanDerWaalsContact C-N 3.31Å; L356-R358 PolarHBondContact O-N 3.47Å; R358-A360 VanDerWaalsContact C-N 3.34Å; R358-Y361 WeakPolarHBondContact O-CB 3.32Å; R358-Y361 PolarHBondContact O-N 2.71Å; R358-N362 PolarHBondContact O-N 3.09Å; R358-N362 VanDerWaalsContact O-N 3.11Å; R358-I365 HydrophobicContact CB-CG2 4.26Å; R358-V367 HydrophobicContact CB-CG1 3.58Å; R358-V367 HydrophobicContact CG-CG1 3.99Å; R358-P419 HydrophobicContact CG-CG 4.23Å; R358-E469 IonicContact CZ-OE1 3.29Å; R358-E469 IonicContact CZ-OE2 2.76Å; R358-E469 IonicContact NE-OE1 3.88Å; R358-E469 IonicContact NE-OE2 2.67Å; R358-E469 PolarHBondContact NE-OE2 2.92Å; R358-E469 IonicContact NH2-OE1 2.82Å; R358-E469 PolarHBondContact NH2-OE1 3.12Å; R358-E469 IonicContact NH2-OE2 3.19Å; R358-E469 PolarHBondContact NH2-OE2 2.86Å; R358-E469 VanDerWaalsContact NH2-OE2 3.13Å; R358-V471 HydrophobicContact CG-CG2 4.09Å
359	I	98.4	Very high	98	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-70.4	-34	178.7	-58.9	172.2	0	0	0	111	V337 L355 L356 Y361 N362 S363 V367 A431	V337-I359 HydrophobicContact CG1-CD1 3.56Å; V337-I359 HydrophobicContact CG2-CB 4.35Å; V337-I359 HydrophobicContact CG2-CD1 4.15Å; V337-I359 HydrophobicContact CG2-CG2 3.81Å; L355-I359 PolarHBondContact O-N 2.85Å; L356-I359 PolarHBondContact O-N 3.39Å; I359-Y361 VanDerWaalsContact C-N 3.32Å; I359-N362 CarbonylContact O-C 3.5Å; I359-N362 PolarHBondContact O-N 2.9Å; I359-S363 PolarHBondContact O-N 2.86Å; I359-V367 HydrophobicContact CD1-CG2 4.05Å; I359-V367 HydrophobicContact CG1-CG2 4.25Å; I359-A431 HydrophobicContact CD1-CB 3.76Å
360	A	97.7	Very high	98	Very high	53 Å²	53	21.3 Å²	21.3	44%	0.438	12%	0.12	S	C	.	.	H	α-helix	trans	-64.7	-37.6	173.8	0	0	0	0	0	111.8	L249 P250 L356 D357 R358	L249-A360 HydrophobicContact CD2-CB 4.14Å; P250-A360 HydrophobicContact CG-CB 4.48Å; L356-A360 VanDerWaalsContact O-CB 3.26Å; L356-A360 WeakPolarHBondContact O-CB 3.29Å; L356-A360 PolarHBondContact O-N 2.85Å; D357-A360 PolarHBondContact O-N 2.8Å; R358-A360 VanDerWaalsContact C-N 3.34Å
361	Y	96.1	Very high	98	Very high	114 Å²	114	21.4 Å²	21.4	45%	0.447	12%	0.119	S	C	.	.	H	α-helix	trans	-65.8	-44.5	175.4	173.1	-100.2	0	0	0	112.1	D357 R358 I359 I365	D357-Y361 PolarHBondContact O-N 2.99Å; R358-Y361 WeakPolarHBondContact O-CB 3.32Å; R358-Y361 PolarHBondContact O-N 2.71Å; I359-Y361 VanDerWaalsContact C-N 3.32Å; Y361-I365 HydrophobicContact CD1-CD1 3.95Å
362	N	97.6	Very high	97.9	Very high	65 Å²	65	21.5 Å²	21.5	35%	0.348	12%	0.12	S	C	.	.			trans	-152.3	119.6	174.4	177.6	-11.2	0	0	0	110.3	R358 I359 S364 I365	R358-N362 PolarHBondContact O-N 3.09Å; R358-N362 VanDerWaalsContact O-N 3.11Å; I359-N362 CarbonylContact O-C 3.5Å; I359-N362 PolarHBondContact O-N 2.9Å; N362-S364 PolarHBondContact O-N 2.81Å; N362-S364 VanDerWaalsContact O-N 3.1Å; N362-S364 WeakPolarHBondContact OD1-CB 3.29Å; N362-S364 PolarHBondContact OD1-N 3.49Å; N362-I365 HydrophobicContact CB-CD1 3.86Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.24Å; N362-I365 PolarHBondContact O-N 2.98Å
363	S	97.8	Very high	97.7	Very high	57 Å²	57	23 Å²	23	40%	0.399	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.5	-175.4	60.8	0	0	0	0	114.6	I359 I365 S433 Y436	I359-S363 PolarHBondContact O-N 2.86Å; S363-I365 VanDerWaalsContact C-N 3.35Å; S363-S433 VanDerWaalsContact O-CB 3.28Å; S363-S433 WeakPolarHBondContact O-CB 3.5Å; S363-Y436 WeakPolarHBondContact O-CB 3.21Å
364	S	98.4	Very high	97.7	Very high	29 Å²	29	21 Å²	21	20%	0.203	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1	174.6	-53.8	0	0	0	0	113.3	N362 Y436 G466 I467	N362-S364 PolarHBondContact O-N 2.81Å; N362-S364 VanDerWaalsContact O-N 3.1Å; N362-S364 WeakPolarHBondContact OD1-CB 3.29Å; N362-S364 PolarHBondContact OD1-N 3.49Å; S364-Y436 WeakPolarHBondContact O-CE1 3.21Å; S364-G466 WeakPolarHBondContact O-CA 3.28Å; S364-I467 PolarHBondContact O-N 3.21Å
365	I	98.8	Very high	97.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.3	170.4	-58.2	-179.9	0	0	0	108.8	R358 Y361 N362 S363 V367 I467 E469	R358-I365 HydrophobicContact CB-CG2 4.26Å; Y361-I365 HydrophobicContact CD1-CD1 3.95Å; N362-I365 HydrophobicContact CB-CD1 3.86Å; N362-I365 HydrophobicContact CB-CG1 3.89Å; N362-I365 WeakPolarHBondContact O-CB 3.24Å; N362-I365 PolarHBondContact O-N 2.98Å; S363-I365 VanDerWaalsContact C-N 3.35Å; I365-V367 HydrophobicContact CG2-CG1 3.75Å; I365-I467 CarbonylContact C-O 3.46Å; I365-I467 WeakPolarHBondContact CA-O 3.39Å; I365-I467 HydrophobicContact CG1-CB 4.25Å; I365-E469 HydrophobicContact CG2-CG 4.21Å
366	V	98.8	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.6	168.9	-176.4	0	0	0	0	107.5	F430 I432 Y436 V461 I467 L468 E469	V366-F430 HydrophobicContact CG1-CD2 4.07Å; V366-I432 HydrophobicContact CG1-CB 4.34Å; V366-I432 HydrophobicContact CG2-CB 4.34Å; V366-I432 HydrophobicContact CG2-CD1 3.58Å; V366-I432 HydrophobicContact CG2-CG1 3.79Å; V366-Y436 HydrophobicContact CG2-CD1 4.16Å; V366-Y436 HydrophobicContact CG2-CE1 4.13Å; V366-V461 HydrophobicContact CB-CG1 4.31Å; V366-V461 HydrophobicContact CB-CG2 4.14Å; V366-V461 HydrophobicContact CG2-CB 4.43Å; V366-V461 HydrophobicContact CG2-CG1 4.01Å; V366-V461 HydrophobicContact CG2-CG2 3.46Å; V366-V461 VanDerWaalsContact CG2-CG2 3.46Å; V366-I467 PolarHBondContact N-O 2.77Å; V366-L468 HydrophobicContact CB-CD1 3.93Å; V366-L468 HydrophobicContact CG1-CD1 3.81Å; V366-L468 WeakPolarHBondContact O-CA 3.43Å; V366-E469 PolarHBondContact O-N 2.79Å
367	V	98.8	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.2	-175	-65.9	0	0	0	0	111.7	L355 R358 I359 I365 F430 A431 E469 V471	L355-V367 HydrophobicContact CB-CG2 3.78Å; L355-V367 HydrophobicContact CD2-CB 4.09Å; L355-V367 HydrophobicContact CD2-CG2 3.77Å; L355-V367 HydrophobicContact CG-CG2 4.34Å; R358-V367 HydrophobicContact CB-CG1 3.58Å; R358-V367 HydrophobicContact CG-CG1 3.99Å; I359-V367 HydrophobicContact CD1-CG2 4.05Å; I359-V367 HydrophobicContact CG1-CG2 4.25Å; I365-V367 HydrophobicContact CG2-CG1 3.75Å; V367-F430 CarbonylContact O-C 3.35Å; V367-F430 VanDerWaalsContact O-CA 3.28Å; V367-F430 WeakPolarHBondContact O-CA 3.36Å; V367-F430 WeakPolarHBondContact O-CB 3.24Å; V367-A431 HydrophobicContact CG2-CB 3.77Å; V367-A431 PolarHBondContact N-O 3.42Å; V367-A431 PolarHBondContact O-N 2.9Å; V367-E469 CarbonylContact C-O 3.16Å; V367-E469 VanDerWaalsContact CA-O 3.31Å; V367-E469 WeakPolarHBondContact CA-O 3.45Å; V367-E469 HydrophobicContact CG1-CB 4.4Å; V367-V471 HydrophobicContact CB-CG2 3.7Å; V367-V471 HydrophobicContact CG1-CG2 3.66Å
368	V	98.6	Very high	97.4	Very high	11 Å²	11	30.3 Å²	30.3	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.7	169.6	-57	0	0	0	0	109.4	M425 F430 L468 E469 T470 V471	V368-M425 HydrophobicContact CG1-CB 3.7Å; V368-M425 HydrophobicContact CG1-SD 4.42Å; V368-F430 HydrophobicContact CG1-CB 3.88Å; V368-L468 HydrophobicContact CG1-CD1 4.27Å; V368-E469 PolarHBondContact N-O 2.81Å; V368-T470 HydrophobicContact CG2-CG2 4.18Å; V368-T470 VanDerWaalsContact CG2-OG1 3.31Å; V368-T470 WeakPolarHBondContact CG2-OG1 3.29Å; V368-T470 WeakPolarHBondContact O-CA 3.44Å; V368-V471 PolarHBondContact O-N 3.06Å
369	P	98.1	Very high	97.4	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	162.1	166.8	32.9	-35.4	0	0	0	110.2	I371 L429 S474 V476	P369-I371 PolarHBondContact O-N 2.97Å; P369-L429 HydrophobicContact CG-CB 3.92Å; P369-L429 HydrophobicContact CG-CD2 4.21Å; P369-S474 WeakPolarHBondContact CB-OG 3.47Å; P369-V476 HydrophobicContact CB-CB 4.39Å; P369-V476 HydrophobicContact CB-CG2 3.85Å; P369-V476 HydrophobicContact CG-CB 4.27Å; P369-V476 HydrophobicContact CG-CG2 3.91Å
370	V	97.1	Very high	97.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	117.3	161.2	179.4	0	0	0	0	108	S372 V389 T470 S474 L475 V476	V370-S372 PolarHBondContact O-N 3.45Å; V370-V389 HydrophobicContact CG1-CG2 4.2Å; V370-V389 HydrophobicContact CG2-CG1 3.97Å; V370-V389 HydrophobicContact CG2-CG2 3.84Å; V370-T470 HydrophobicContact CG2-CG2 4.06Å; V370-S474 PolarHBondContact N-O 3.27Å; V370-L475 HydrophobicContact CB-CG 4.3Å; V370-L475 WeakPolarHBondContact O-CA 3.13Å; V370-V476 PolarHBondContact O-N 3.31Å
371	I	96.6	Very high	97.3	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.7	179.2	-52.5	-178.7	0	0	0	107.8	L123 P369 W402 A426 L429 V476 H478 F480	L123-I371 WeakPolarHBondContact CD1-O 3.2Å; L123-I371 VanDerWaalsContact CD2-O 3.28Å; L123-I371 WeakPolarHBondContact CD2-O 3.49Å; P369-I371 PolarHBondContact O-N 2.97Å; I371-W402 HydrophobicContact CD1-CH2 4.18Å; I371-W402 HydrophobicContact CD1-CZ2 4.34Å; I371-W402 HydrophobicContact CG1-CH2 4.5Å; I371-A426 HydrophobicContact CD1-CB 3.93Å; I371-L429 HydrophobicContact CD1-CB 4.28Å; I371-L429 HydrophobicContact CD1-CD1 4.4Å; I371-L429 HydrophobicContact CG1-CD2 4.34Å; I371-V476 WeakPolarHBondContact CA-O 3.36Å; I371-H478 HydrophobicContact CG2-CB 3.58Å; I371-F480 HydrophobicContact CG2-CE2 3.84Å; I371-F480 HydrophobicContact CG2-CZ 3.66Å
372	S	94.6	Very high	97.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	151	176.2	-67.9	0	0	0	0	110.5	V370 N382 V476 G477 H478	V370-S372 PolarHBondContact O-N 3.45Å; S372-N382 WeakPolarHBondContact CB-O 3.41Å; S372-V476 PolarHBondContact N-O 3Å; S372-G477 CarbonylContact O-C 3.58Å; S372-G477 WeakPolarHBondContact O-CA 3.34Å; S372-H478 PolarHBondContact O-N 2.9Å
373	T	95.1	Very high	96.7	Very high	30 Å²	30	28.5 Å²	28.5	18%	0.184	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.9	-178.1	-65.6	0	0	0	0	110.6	L123 N382 F480	L123-T373 WeakPolarHBondContact CD2-OG1 3.37Å; T373-N382 PolarHBondContact N-O 3.08Å; T373-N382 PolarHBondContact O-N 3.21Å; T373-F480 HydrophobicContact CG2-CD2 4.03Å
374	I	97.7	Very high	96	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.6	160.3	-59.2	168	0	0	0	106.9	E346 D376 L379 K380 M381 H478 I479	E346-I374 HydrophobicContact CB-CD1 4.11Å; E346-I374 HydrophobicContact CG-CD1 3.94Å; I374-D376 PolarHBondContact O-N 2.86Å; I374-L379 HydrophobicContact CG2-CB 4.25Å; I374-L379 HydrophobicContact CG2-CD1 3.72Å; I374-K380 WeakPolarHBondContact CA-O 3.49Å; I374-M381 HydrophobicContact CD1-CE 3.96Å; I374-M381 HydrophobicContact CD1-SD 4.47Å; I374-M381 HydrophobicContact CG1-CE 3.78Å; I374-M381 HydrophobicContact CG1-SD 3.69Å; I374-H478 PolarHBondContact N-O 2.86Å; I374-I479 HydrophobicContact CB-CG1 3.86Å; I374-I479 HydrophobicContact CD1-CG1 4.26Å; I374-I479 HydrophobicContact CG2-CG1 3.77Å
375	N	96.5	Very high	95.6	Very high	44 Å²	44	31.8 Å²	31.8	24%	0.235	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-63	127.7	-176.4	-179.2	-92.5	0	0	0	111.2	K377 T378 L379 K380	N375-K377 VanDerWaalsContact C-N 3.25Å; N375-K377 PolarHBondContact O-N 2.92Å; N375-K377 WeakPolarHBondContact OD1-CA 3.44Å; N375-K377 WeakPolarHBondContact OD1-CB 3.22Å; N375-K377 PolarHBondContact OD1-N 2.79Å; N375-T378 PolarHBondContact OD1-N 3.06Å; N375-T378 PolarHBondContact OD1-OG1 3.03Å; N375-L379 WeakPolarHBondContact O-CA 3.37Å; N375-L379 PolarHBondContact O-N 3.42Å; N375-K380 HydrophobicContact CB-CB 4.27Å; N375-K380 PolarHBondContact N-O 2.9Å
376	D	96.7	Very high	95.3	Very high	32 Å²	32	32 Å²	32	17%	0.171	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	-177.7	61.8	-15.9	0	0	0	114.2	W213 N219 I374 I479	W213-D376 HydrophobicContact CH2-CB 4.25Å; W213-D376 WeakPolarHBondContact CH2-O 3.33Å; W213-D376 HydrophobicContact CZ3-CB 4.47Å; N219-D376 WeakPolarHBondContact CB-O 3.42Å; N219-D376 PolarHBondContact N-O 2.81Å; I374-D376 PolarHBondContact O-N 2.86Å; D376-I479 HydrophobicContact CB-CG2 4.38Å
377	K	96.8	Very high	94.8	Very high	129 Å²	129	37.3 Å²	37.3	56%	0.561	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-41.5	-180	-63.2	172.8	-175.6	179.6	0	113.8	W213 N219 N375	W213-K377 HydrophobicContact CH2-CB 4.36Å; W213-K377 HydrophobicContact CH2-CG 3.62Å; W213-K377 HydrophobicContact CZ2-CB 4.25Å; W213-K377 HydrophobicContact CZ2-CG 3.8Å; N219-K377 WeakPolarHBondContact CB-O 3.37Å; N219-K377 PolarHBondContact ND2-O 3.06Å; N375-K377 VanDerWaalsContact C-N 3.25Å; N375-K377 PolarHBondContact O-N 2.92Å; N375-K377 WeakPolarHBondContact OD1-CA 3.44Å; N375-K377 WeakPolarHBondContact OD1-CB 3.22Å; N375-K377 PolarHBondContact OD1-N 2.79Å
378	T	97.5	Very high	94.4	Very high	23 Å²	23	42.3 Å²	42.3	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-8.4	-167.8	62.6	0	0	0	0	114.1	A193 Y194 N375 K380	A193-T378 HydrophobicContact CB-CG2 4.44Å; Y194-T378 PolarHBondContact N-O 3.13Å; Y194-T378 WeakPolarHBondContact O-CA 3.47Å; N375-T378 PolarHBondContact OD1-N 3.06Å; N375-T378 PolarHBondContact OD1-OG1 3.03Å; T378-K380 PolarHBondContact O-N 3.03Å; T378-K380 WeakPolarHBondContact OG1-CB 3.37Å; T378-K380 PolarHBondContact OG1-N 3.25Å
379	L	98	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	57.2	17.7	-174.9	-68.3	-60.7	0	0	0	113.9	N219 A222 I226 R230 I374 N375 I479	N219-L379 HydrophobicContact CB-CD2 4.27Å; A222-L379 HydrophobicContact CB-CD2 3.97Å; I226-L379 HydrophobicContact CD1-CB 3.52Å; I226-L379 HydrophobicContact CD1-CG 4.02Å; R230-L379 PolarHBondContact NH1-O 3.27Å; R230-L379 PolarHBondContact NH2-O 3.41Å; I374-L379 HydrophobicContact CG2-CB 4.25Å; I374-L379 HydrophobicContact CG2-CD1 3.72Å; N375-L379 WeakPolarHBondContact O-CA 3.37Å; N375-L379 PolarHBondContact O-N 3.42Å; L379-I479 HydrophobicContact CD1-CD1 3.64Å; L379-I479 HydrophobicContact CD1-CG1 4.16Å
380	K	97.9	Very high	93.9	Very high	92 Å²	92	42.5 Å²	42.5	40%	0.4	21%	0.209	S	C	.	.			trans	-59.7	134.5	171.4	-172.1	-171.9	171.9	-156.2	0	109.6	G191 A193 I374 N375 T378 N382	G191-K380 WeakPolarHBondContact O-CA 3.49Å; A193-K380 HydrophobicContact CB-CB 3.87Å; A193-K380 HydrophobicContact CB-CD 4.22Å; A193-K380 HydrophobicContact CB-CG 4.16Å; I374-K380 WeakPolarHBondContact CA-O 3.49Å; N375-K380 HydrophobicContact CB-CB 4.27Å; N375-K380 PolarHBondContact N-O 2.9Å; T378-K380 PolarHBondContact O-N 3.03Å; T378-K380 WeakPolarHBondContact OG1-CB 3.37Å; T378-K380 PolarHBondContact OG1-N 3.25Å; K380-N382 VanDerWaalsContact CD-OD1 3.28Å; K380-N382 WeakPolarHBondContact CD-OD1 3.47Å; K380-N382 WeakPolarHBondContact CE-OD1 2.69Å; K380-N382 PolarHBondContact NZ-OD1 3.14Å
381	M	96.7	Very high	93.7	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.7	169.3	-172.3	68.4	77.2	0	0	109.4	G191 L232 Y235 E346 I374	G191-M381 PolarHBondContact O-N 3.47Å; L232-M381 HydrophobicContact CD1-CE 3.71Å; L232-M381 HydrophobicContact CD2-CB 4.44Å; L232-M381 HydrophobicContact CD2-CE 4.09Å; Y235-M381 HydrophobicContact CE2-CG 4Å; E346-M381 HydrophobicContact CB-CE 4.05Å; I374-M381 HydrophobicContact CD1-CE 3.96Å; I374-M381 HydrophobicContact CD1-SD 4.47Å; I374-M381 HydrophobicContact CG1-CE 3.78Å; I374-M381 HydrophobicContact CG1-SD 3.69Å
382	N	93	Very high	93.6	Very high	30 Å²	30	41.8 Å²	41.8	16%	0.16	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.2	171.2	-65.7	-30.3	0	0	0	108.5	S372 T373 K380	S372-N382 WeakPolarHBondContact CB-O 3.41Å; T373-N382 PolarHBondContact N-O 3.08Å; T373-N382 PolarHBondContact O-N 3.21Å; K380-N382 VanDerWaalsContact CD-OD1 3.28Å; K380-N382 WeakPolarHBondContact CD-OD1 3.47Å; K380-N382 WeakPolarHBondContact CE-OD1 2.69Å; K380-N382 PolarHBondContact NZ-OD1 3.14Å
383	F	86.8	Confident	93.6	Very high	90 Å²	90	41.7 Å²	41.7	40%	0.395	20%	0.204	S	C	.	.			trans	-120.7	150.1	-178.5	64.1	-84.2	0	0	0	110.3	Y235 L475	Y235-F383 HydrophobicContact CD1-CB 4.23Å; Y235-F383 AromaticContact CD1-CD1 3.39Å; Y235-F383 HydrophobicContact CD1-CD1 3.39Å; Y235-F383 HydrophobicContact CD1-CD2 4.13Å; Y235-F383 AromaticContact CD1-CE1 3.66Å; Y235-F383 HydrophobicContact CD1-CE1 3.66Å; Y235-F383 HydrophobicContact CD1-CE2 4.35Å; Y235-F383 AromaticContact CD1-CG 3.65Å; Y235-F383 HydrophobicContact CD1-CG 3.65Å; Y235-F383 HydrophobicContact CD1-CZ 4.13Å; Y235-F383 AromaticContact CE1-CD1 3.29Å; Y235-F383 HydrophobicContact CE1-CD1 3.29Å; Y235-F383 AromaticContact CE1-CE1 3.51Å; Y235-F383 HydrophobicContact CE1-CE1 3.51Å; Y235-F383 HydrophobicContact CE1-CG 4.01Å; Y235-F383 HydrophobicContact CE1-CZ 4.37Å; Y235-F383 HydrophobicContact CG-CD1 4.5Å; Y235-F383 HydrophobicContact CG-CG 4.46Å; F383-L475 HydrophobicContact CB-CD2 4.39Å
384	L	83.5	Confident	93.6	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.126	20%	0.196	C	C	.	.			trans	-94.2	143.2	175.5	-58.1	176.9	0	0	0	109.7	D121 L123	D121-L384 HydrophobicContact CB-CD2 3.8Å; D121-L384 WeakPolarHBondContact O-CD2 3.16Å; L123-L384 HydrophobicContact CD1-CD1 4.43Å; L123-L384 HydrophobicContact CG-CD1 4.31Å
385	K	90.7	Very high	93.3	Very high	131 Å²	131	40.9 Å²	40.9	57%	0.57	20%	0.199	S	C	*	.			trans	-63.7	152.2	166.7	-67.7	-169.4	175.6	-176.6	0	110.3	D387 N388 V389	K385-D387 PolarHBondContact O-N 3.08Å; K385-D387 VanDerWaalsContact O-N 3.14Å; K385-N388 PolarHBondContact O-N 3.05Å; K385-V389 PolarHBondContact O-N 3.39Å
386	A	91.7	Very high	93.2	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.6	-38	-178.7	0	0	0	0	0	113.4	E237 N388 V389 P416 Y417 V472	E237-A386 PolarHBondContact OE2-N 2.79Å; A386-N388 PolarHBondContact O-N 3.41Å; A386-V389 WeakPolarHBondContact O-CG2 3.29Å; A386-V389 PolarHBondContact O-N 3.48Å; A386-P416 HydrophobicContact CB-CB 4Å; A386-P416 HydrophobicContact CB-CG 3.97Å; A386-Y417 HydrophobicContact CB-CD1 3.97Å; A386-Y417 HydrophobicContact CB-CE1 3.76Å; A386-V472 HydrophobicContact CB-CG1 3.77Å
387	D	89.3	Confident	92.9	Very high	111 Å²	111	39.7 Å²	39.7	59%	0.594	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66.5	-23.5	178.8	-67.5	-29.9	0	0	0	113.9	K385 P416	K385-D387 PolarHBondContact O-N 3.08Å; K385-D387 VanDerWaalsContact O-N 3.14Å; D387-P416 WeakPolarHBondContact OD1-CB 3.26Å; D387-P416 VanDerWaalsContact OD1-CG 3.27Å; D387-P416 WeakPolarHBondContact OD1-CG 3.06Å
388	N	90.4	Very high	92.9	Very high	105 Å²	105	33.8 Å²	33.8	56%	0.561	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-103.7	7.1	-174	-65.6	-14.2	0	0	0	112.7	K385 A386 Q390	K385-N388 PolarHBondContact O-N 3.05Å; A386-N388 PolarHBondContact O-N 3.41Å; N388-Q390 PolarHBondContact O-N 2.78Å
389	V	92.1	Very high	92.6	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.167	C	C	.	.			trans	-58.1	124	176.9	168.9	0	0	0	0	109.4	V370 K385 A386 Q405 T470 V472	V370-V389 HydrophobicContact CG1-CG2 4.2Å; V370-V389 HydrophobicContact CG2-CG1 3.97Å; V370-V389 HydrophobicContact CG2-CG2 3.84Å; K385-V389 PolarHBondContact O-N 3.39Å; A386-V389 WeakPolarHBondContact O-CG2 3.29Å; A386-V389 PolarHBondContact O-N 3.48Å; V389-Q405 WeakPolarHBondContact O-CG 3.31Å; V389-Q405 PolarHBondContact O-NE2 2.92Å; V389-T470 HydrophobicContact CG1-CG2 3.85Å; V389-V472 HydrophobicContact CG1-CG2 4.41Å; V389-V472 HydrophobicContact CG2-CG1 4.22Å; V389-V472 HydrophobicContact CG2-CG2 4.36Å
390	Q	92.5	Very high	92.4	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	153.3	174	-61.8	-177	-61.3	0	0	110.5	H122 N388 W402 H403	H122-Q390 PolarHBondContact ND1-NE2 3.22Å; N388-Q390 PolarHBondContact O-N 2.78Å; Q390-W402 HydrophobicContact CB-CB 4.19Å; Q390-W402 HydrophobicContact CB-CD2 4.49Å; Q390-W402 HydrophobicContact CB-CE3 3.9Å; Q390-H403 WeakPolarHBondContact CA-O 3.17Å
391	V	93.6	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	164.1	173.3	-66.1	0	0	0	0	110	H403 Q405 V420	V391-H403 WeakPolarHBondContact CG2-CE1 3.3Å; V391-H403 PolarHBondContact N-O 2.92Å; V391-H403 PolarHBondContact O-N 2.82Å; V391-Q405 HydrophobicContact CG1-CG 4.2Å; V391-V420 HydrophobicContact CG1-CB 4.02Å; V391-V420 HydrophobicContact CG1-CG1 3.63Å
392	G	94.9	Very high	91.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.9	-174.8	0	0	0	0	0	113.6	F400 S422 P423 T424	G392-F400 VanDerWaalsContact CA-CE2 3.44Å; G392-S422 PolarHBondContact N-OG 2.83Å; G392-P423 WeakPolarHBondContact O-CB 3.11Å; G392-P423 WeakPolarHBondContact O-CD 3.24Å; G392-T424 PolarHBondContact O-N 2.84Å; G392-T424 PolarHBondContact O-OG1 2.97Å
393	G	95	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-163.6	167.1	0	0	0	0	0	112.1	F400 R401 T424	G393-F400 WeakPolarHBondContact O-CD2 3.39Å; G393-R401 PolarHBondContact N-O 3.34Å; G393-R401 PolarHBondContact O-N 2.77Å; G393-T424 WeakPolarHBondContact CA-OG1 3.37Å; G393-T424 PolarHBondContact N-OG1 2.99Å; G393-T424 VanDerWaalsContact N-OG1 3.13Å; G393-T424 PolarHBondContact O-OG1 2.84Å
394	F	95.1	Very high	91.5	Very high	2 Å²	2	33 Å²	33	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.3	175.8	70.8	-76.1	0	0	0	111	L398 T399 T424 L455 F459 F544 Y547 L548 Y552 L555	F394-L398 HydrophobicContact CD2-CD2 4.09Å; F394-L398 HydrophobicContact CE2-CD2 4.17Å; F394-T399 CarbonylContact C-O 3.43Å; F394-T399 WeakPolarHBondContact CA-O 3.45Å; F394-T399 WeakPolarHBondContact CB-O 3.48Å; F394-T424 HydrophobicContact CD1-CG2 3.79Å; F394-L455 HydrophobicContact CB-CD1 4.18Å; F394-L455 HydrophobicContact CB-CD2 3.84Å; F394-L455 HydrophobicContact CG-CD2 4.37Å; F394-F459 HydrophobicContact CD1-CE1 4.15Å; F394-F459 HydrophobicContact CD1-CZ 4.22Å; F394-F459 HydrophobicContact CD2-CZ 4.46Å; F394-F459 AromaticContact CE1-CE1 3.9Å; F394-F459 HydrophobicContact CE1-CE1 3.9Å; F394-F459 HydrophobicContact CE1-CZ 4.06Å; F394-F459 HydrophobicContact CE2-CZ 4.34Å; F394-F459 HydrophobicContact CG-CZ 4.45Å; F394-F459 HydrophobicContact CZ-CE1 4.36Å; F394-F459 HydrophobicContact CZ-CZ 4.16Å; F394-F544 HydrophobicContact CE1-CZ 4.49Å; F394-F544 HydrophobicContact CE2-CZ 4.46Å; F394-F544 HydrophobicContact CZ-CE1 4.48Å; F394-F544 AromaticContact CZ-CZ 3.75Å; F394-F544 HydrophobicContact CZ-CZ 3.75Å; F394-Y547 AromaticContact CE1-CE1 3.98Å; F394-Y547 HydrophobicContact CE1-CE1 3.98Å; F394-L548 HydrophobicContact CZ-CD2 4.4Å; F394-Y552 HydrophobicContact CD1-CD1 4.13Å; F394-Y552 HydrophobicContact CD1-CE1 4.01Å; F394-Y552 AromaticContact CE1-CD1 3.83Å; F394-Y552 HydrophobicContact CE1-CD1 3.83Å; F394-Y552 HydrophobicContact CE1-CE1 4.11Å; F394-L555 HydrophobicContact CE1-CD2 3.76Å; F394-L555 HydrophobicContact CE2-CD2 3.92Å; F394-L555 HydrophobicContact CZ-CD2 3.35Å; F394-L555 VanDerWaalsContact O-CD1 3.29Å; F394-L555 WeakPolarHBondContact O-CD1 3.31Å
395	D	91.4	Very high	91.8	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	16%	0.16	C	C	.	.			trans	-97.7	170.3	170.7	67.3	26.5	0	0	0	112.1	S397 L398 T399 R401	D395-S397 PolarHBondContact O-N 2.94Å; D395-S397 VanDerWaalsContact O-N 3.1Å; D395-S397 VanDerWaalsContact OD1-CA 3.26Å; D395-S397 WeakPolarHBondContact OD1-CA 3.38Å; D395-S397 WeakPolarHBondContact OD1-CB 3.4Å; D395-S397 PolarHBondContact OD1-N 2.67Å; D395-L398 WeakPolarHBondContact O-CA 3.31Å; D395-L398 PolarHBondContact O-N 3.22Å; D395-L398 PolarHBondContact OD1-N 2.88Å; D395-T399 PolarHBondContact N-O 3.26Å; D395-T399 WeakPolarHBondContact OD1-CB 3.49Å; D395-T399 PolarHBondContact OD1-N 3.25Å; D395-T399 VanDerWaalsContact OD1-N 3.09Å; D395-R401 HydrophobicContact CB-CG 4.34Å; D395-R401 IonicContact OD2-CZ 3.63Å; D395-R401 IonicContact OD2-NE 3.37Å; D395-R401 PolarHBondContact OD2-NE 2.94Å; D395-R401 IonicContact OD2-NH2 3.04Å; D395-R401 PolarHBondContact OD2-NH2 2.98Å
396	W	93.2	Very high	91.5	Very high	19 Å²	19	27 Å²	27	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.4	178.7	-69.6	107.4	0	0	0	114.5	Y511 F514 Y515 F544 L548 L555 F556 I557 P558	W396-Y511 AromaticContact CH2-CD1 3.74Å; W396-Y511 HydrophobicContact CH2-CD1 3.74Å; W396-Y511 HydrophobicContact CH2-CG 4.25Å; W396-Y511 HydrophobicContact CZ2-CD1 4.5Å; W396-Y511 HydrophobicContact CZ3-CD1 4.47Å; W396-F514 HydrophobicContact CB-CB 4.23Å; W396-F514 HydrophobicContact CD2-CB 3.77Å; W396-F514 HydrophobicContact CD2-CD2 4.18Å; W396-F514 HydrophobicContact CD2-CG 4.21Å; W396-F514 HydrophobicContact CE3-CB 3.51Å; W396-F514 AromaticContact CE3-CD2 3.91Å; W396-F514 HydrophobicContact CE3-CD2 3.91Å; W396-F514 HydrophobicContact CE3-CG 4.11Å; W396-F514 HydrophobicContact CG-CB 4.1Å; W396-F514 AromaticContact CH2-CD2 3.84Å; W396-F514 HydrophobicContact CH2-CD2 3.84Å; W396-F514 HydrophobicContact CH2-CE2 4.45Å; W396-F514 HydrophobicContact CZ2-CD2 4.11Å; W396-F514 HydrophobicContact CZ3-CB 4.14Å; W396-F514 AromaticContact CZ3-CD2 3.74Å; W396-F514 HydrophobicContact CZ3-CD2 3.74Å; W396-F514 HydrophobicContact CZ3-CG 4.39Å; W396-Y515 WeakPolarHBondContact O-CA 3.26Å; W396-F544 HydrophobicContact CH2-CE1 4.26Å; W396-F544 HydrophobicContact CZ3-CE1 4.41Å; W396-L548 HydrophobicContact CH2-CD1 4.06Å; W396-L555 HydrophobicContact CH2-CD2 4.46Å; W396-L555 HydrophobicContact CZ2-CD2 3.91Å; W396-L555 HydrophobicContact CZ2-CG 4.48Å; W396-F556 PolarHBondContact NE1-O 2.77Å; W396-I557 HydrophobicContact CZ2-CB 4.48Å; W396-I557 HydrophobicContact CZ2-CG1 4.36Å; W396-I557 HydrophobicContact CZ2-CG2 4.19Å; W396-P558 VanDerWaalsContact NE1-CD 3.3Å
397	S	91.7	Very high	91.3	Very high	31 Å²	31	33.9 Å²	33.9	22%	0.217	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.7	163.5	-102.1	0	0	0	0	112.2	D395 T399 R518	D395-S397 PolarHBondContact O-N 2.94Å; D395-S397 VanDerWaalsContact O-N 3.1Å; D395-S397 VanDerWaalsContact OD1-CA 3.26Å; D395-S397 WeakPolarHBondContact OD1-CA 3.38Å; D395-S397 WeakPolarHBondContact OD1-CB 3.4Å; D395-S397 PolarHBondContact OD1-N 2.67Å; S397-T399 PolarHBondContact O-N 3.21Å; S397-R518 PolarHBondContact OG-NE 3.28Å; S397-R518 PolarHBondContact OG-NH2 3.49Å
398	L	96	Very high	91.1	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	16%	0.16	C	C	.	.			trans	57.3	35.4	-175.7	-53.8	177.9	0	0	0	112.3	F394 D395 L455 L500 L503 A504 L508 Y515	F394-L398 HydrophobicContact CD2-CD2 4.09Å; F394-L398 HydrophobicContact CE2-CD2 4.17Å; D395-L398 WeakPolarHBondContact O-CA 3.31Å; D395-L398 PolarHBondContact O-N 3.22Å; D395-L398 PolarHBondContact OD1-N 2.88Å; L398-L455 HydrophobicContact CB-CD1 4.12Å; L398-L455 WeakPolarHBondContact O-CD1 3.48Å; L398-L500 HydrophobicContact CB-CD1 4.28Å; L398-L500 HydrophobicContact CB-CD2 3.75Å; L398-L500 HydrophobicContact CB-CG 4.46Å; L398-L500 HydrophobicContact CD1-CB 4.19Å; L398-L500 HydrophobicContact CD1-CD2 4.35Å; L398-L503 HydrophobicContact CD1-CD2 3.87Å; L398-L503 HydrophobicContact CD2-CD2 4.42Å; L398-A504 HydrophobicContact CD1-CB 4.19Å; L398-L508 HydrophobicContact CD1-CD1 3.98Å; L398-L508 HydrophobicContact CD2-CD1 3.68Å; L398-L508 HydrophobicContact CG-CD1 4.43Å; L398-Y515 HydrophobicContact CB-CD2 4.35Å; L398-Y515 HydrophobicContact CD1-CD1 3.76Å; L398-Y515 HydrophobicContact CD1-CD2 3.68Å; L398-Y515 HydrophobicContact CD1-CE1 4.22Å; L398-Y515 HydrophobicContact CD1-CE2 4.16Å; L398-Y515 HydrophobicContact CD1-CG 3.48Å; L398-Y515 VanDerWaalsContact CD1-CG 3.48Å; L398-Y515 HydrophobicContact CG-CD2 3.73Å; L398-Y515 HydrophobicContact CG-CE2 4.39Å; L398-Y515 HydrophobicContact CG-CG 3.88Å
399	T	91.3	Very high	91.1	Very high	17 Å²	17	29.8 Å²	29.8	10%	0.104	14%	0.139	C	C	.	.			trans	-97.5	135	171.7	-59	0	0	0	0	109.1	I126 F394 D395 S397	I126-T399 WeakPolarHBondContact O-CG2 3.44Å; F394-T399 CarbonylContact C-O 3.43Å; F394-T399 WeakPolarHBondContact CA-O 3.45Å; F394-T399 WeakPolarHBondContact CB-O 3.48Å; D395-T399 PolarHBondContact N-O 3.26Å; D395-T399 WeakPolarHBondContact OD1-CB 3.49Å; D395-T399 PolarHBondContact OD1-N 3.25Å; D395-T399 VanDerWaalsContact OD1-N 3.09Å; S397-T399 PolarHBondContact O-N 3.21Å
400	F	93.7	Very high	91	Very high	6 Å²	6	35 Å²	35	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.1	174.8	172.3	-90.2	0	0	0	110.7	I126 G392 G393 W402 T424 M425 A426	I126-F400 HydrophobicContact CB-CD1 4.21Å; I126-F400 HydrophobicContact CD1-CD1 4.08Å; I126-F400 HydrophobicContact CD1-CE1 4.44Å; I126-F400 HydrophobicContact CG1-CD1 4.08Å; G392-F400 VanDerWaalsContact CA-CE2 3.44Å; G393-F400 WeakPolarHBondContact O-CD2 3.39Å; F400-W402 AromaticContact CE1-CD1 3.94Å; F400-W402 AromaticContact CE1-CD2 3.72Å; F400-W402 HydrophobicContact CE1-CD2 3.72Å; F400-W402 AromaticContact CE1-CE2 3.47Å; F400-W402 VanDerWaalsContact CE1-CE2 3.47Å; F400-W402 HydrophobicContact CE1-CE3 4.3Å; F400-W402 HydrophobicContact CE1-CG 4.04Å; F400-W402 HydrophobicContact CE1-CH2 4.43Å; F400-W402 AromaticContact CE1-CZ2 3.86Å; F400-W402 HydrophobicContact CE1-CZ2 3.86Å; F400-W402 AromaticContact CE1-NE1 3.62Å; F400-W402 AromaticContact CZ-CD2 3.85Å; F400-W402 HydrophobicContact CZ-CD2 3.85Å; F400-W402 AromaticContact CZ-CE2 3.87Å; F400-W402 AromaticContact CZ-CE3 3.94Å; F400-W402 HydrophobicContact CZ-CE3 3.94Å; F400-W402 HydrophobicContact CZ-CG 4.47Å; F400-W402 HydrophobicContact CZ-CH2 4.1Å; F400-W402 AromaticContact CZ-CZ2 3.99Å; F400-W402 HydrophobicContact CZ-CZ2 3.99Å; F400-W402 HydrophobicContact CZ-CZ3 4.08Å; F400-T424 WeakPolarHBondContact CD2-OG1 3.48Å; F400-T424 WeakPolarHBondContact CE2-OG1 3.36Å; F400-M425 VanDerWaalsContact CD2-O 3.3Å; F400-M425 WeakPolarHBondContact CD2-O 3.44Å; F400-A426 HydrophobicContact CD1-CB 4.49Å; F400-A426 HydrophobicContact CE1-CB 3.97Å; F400-A426 HydrophobicContact CE2-CB 4.37Å; F400-A426 HydrophobicContact CZ-CB 3.9Å
401	R	90.3	Very high	90.9	Very high	34 Å²	34	40 Å²	40	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.5	-179.8	-63.2	-68.2	177.9	-172	-4.8	110.5	D125 G393 D395 E617	D125-R401 WeakPolarHBondContact OD1-CA 3.4Å; D125-R401 VanDerWaalsContact OD2-CD 3.31Å; D125-R401 WeakPolarHBondContact OD2-CD 3.28Å; D125-R401 IonicContact OD2-CZ 3.37Å; D125-R401 IonicContact OD2-NE 2.75Å; D125-R401 IonicContact OD2-NH1 3.13Å; D125-R401 PolarHBondContact OD2-NH1 3.21Å; G393-R401 PolarHBondContact N-O 3.34Å; G393-R401 PolarHBondContact O-N 2.77Å; D395-R401 HydrophobicContact CB-CG 4.34Å; D395-R401 IonicContact OD2-CZ 3.63Å; D395-R401 IonicContact OD2-NE 3.37Å; D395-R401 PolarHBondContact OD2-NE 2.94Å; D395-R401 IonicContact OD2-NH2 3.04Å; D395-R401 PolarHBondContact OD2-NH2 2.98Å; R401-E617 WeakPolarHBondContact CG-OE1 3.46Å; R401-E617 IonicContact NE-OE1 2.59Å
402	W	89.8	Confident	90.9	Very high	25 Å²	25	42 Å²	42	10%	0.095	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.3	164.9	-63.4	104	0	0	0	109.6	L123 P124 D125 I371 Q390 F400 A426	L123-W402 HydrophobicContact CB-CD2 3.97Å; L123-W402 HydrophobicContact CB-CG 3.87Å; L123-W402 HydrophobicContact CB-CZ2 4.38Å; L123-W402 HydrophobicContact CD1-CD2 3.92Å; L123-W402 HydrophobicContact CD1-CE3 4.09Å; L123-W402 HydrophobicContact CD1-CH2 3.83Å; L123-W402 HydrophobicContact CD1-CZ2 3.65Å; L123-W402 HydrophobicContact CD1-CZ3 4.04Å; L123-W402 VanDerWaalsContact O-CD1 3.32Å; P124-W402 VanDerWaalsContact O-CD1 3.3Å; P124-W402 PolarHBondContact O-NE1 3.13Å; P124-W402 VanDerWaalsContact O-NE1 3.15Å; D125-W402 PolarHBondContact OD1-N 2.69Å; I371-W402 HydrophobicContact CD1-CH2 4.18Å; I371-W402 HydrophobicContact CD1-CZ2 4.34Å; I371-W402 HydrophobicContact CG1-CH2 4.5Å; Q390-W402 HydrophobicContact CB-CB 4.19Å; Q390-W402 HydrophobicContact CB-CD2 4.49Å; Q390-W402 HydrophobicContact CB-CE3 3.9Å; F400-W402 AromaticContact CE1-CD1 3.94Å; F400-W402 AromaticContact CE1-CD2 3.72Å; F400-W402 HydrophobicContact CE1-CD2 3.72Å; F400-W402 AromaticContact CE1-CE2 3.47Å; F400-W402 VanDerWaalsContact CE1-CE2 3.47Å; F400-W402 HydrophobicContact CE1-CE3 4.3Å; F400-W402 HydrophobicContact CE1-CG 4.04Å; F400-W402 HydrophobicContact CE1-CH2 4.43Å; F400-W402 AromaticContact CE1-CZ2 3.86Å; F400-W402 HydrophobicContact CE1-CZ2 3.86Å; F400-W402 AromaticContact CE1-NE1 3.62Å; F400-W402 AromaticContact CZ-CD2 3.85Å; F400-W402 HydrophobicContact CZ-CD2 3.85Å; F400-W402 AromaticContact CZ-CE2 3.87Å; F400-W402 AromaticContact CZ-CE3 3.94Å; F400-W402 HydrophobicContact CZ-CE3 3.94Å; F400-W402 HydrophobicContact CZ-CG 4.47Å; F400-W402 HydrophobicContact CZ-CH2 4.1Å; F400-W402 AromaticContact CZ-CZ2 3.99Å; F400-W402 HydrophobicContact CZ-CZ2 3.99Å; F400-W402 HydrophobicContact CZ-CZ3 4.08Å; W402-A426 HydrophobicContact CH2-CB 4.17Å; W402-A426 HydrophobicContact CZ2-CB 3.93Å
403	H	87.6	Confident	90.8	Very high	35 Å²	35	46 Å²	46	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.9	167.7	68.1	86.9	0	0	0	110.9	Q390 V391 Y552	Q390-H403 WeakPolarHBondContact CA-O 3.17Å; V391-H403 WeakPolarHBondContact CG2-CE1 3.3Å; V391-H403 PolarHBondContact N-O 2.92Å; V391-H403 PolarHBondContact O-N 2.82Å; H403-Y552 AromaticContact CD2-CZ 3.92Å; H403-Y552 PolarHBondContact CD2-OH 2.88Å; H403-Y552 VanDerWaalsContact CD2-OH 3.26Å; H403-Y552 AromaticContact CE1-CE2 3.88Å; H403-Y552 AromaticContact NE2-CE2 3.39Å; H403-Y552 WeakPolarHBondContact NE2-CE2 3.17Å; H403-Y552 AromaticContact NE2-CZ 3.63Å; H403-Y552 PolarHBondContact NE2-OH 2.59Å
404	E	87.8	Confident	90.7	Very high	107 Å²	107	48.2 Å²	48.2	50%	0.5	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	155.4	176.1	-59.3	-172	172.4	0	0	111.5	T406 R410	E404-T406 PolarHBondContact O-N 3.23Å; E404-R410 IonicContact OE2-CZ 3.16Å; E404-R410 IonicContact OE2-NH2 2.76Å; E404-R410 PolarHBondContact OE2-NH2 3.11Å
405	Q	89.6	Confident	90.6	Very high	12 Å²	12	50 Å²	50	6%	0.056	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-58.9	137.5	171.9	-63.4	176.7	48.6	0	0	110.4	V389 V391 D409 R410 V420	V389-Q405 WeakPolarHBondContact O-CG 3.31Å; V389-Q405 PolarHBondContact O-NE2 2.92Å; V391-Q405 HydrophobicContact CG1-CG 4.2Å; Q405-D409 HydrophobicContact CB-CB 4.25Å; Q405-R410 HydrophobicContact CB-CG 3.72Å; Q405-R410 PolarHBondContact O-NE 3.02Å; Q405-R410 PolarHBondContact O-NH2 3.17Å; Q405-V420 HydrophobicContact CG-CG1 3.99Å
406	T	85.2	Confident	90.8	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.104	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-67.9	162.3	174.5	71.8	0	0	0	0	110.3	E404 R408 D409 R410 E554	E404-T406 PolarHBondContact O-N 3.23Å; T406-R408 PolarHBondContact O-N 2.81Å; T406-D409 PolarHBondContact O-N 3.04Å; T406-D409 VanDerWaalsContact O-N 3.1Å; T406-D409 VanDerWaalsContact OG1-CG 3.31Å; T406-D409 PolarHBondContact OG1-N 3.02Å; T406-D409 VanDerWaalsContact OG1-N 3.09Å; T406-D409 PolarHBondContact OG1-OD2 2.93Å; T406-R410 WeakPolarHBondContact O-CG 3.49Å; T406-R410 PolarHBondContact O-N 3.29Å; T406-E554 VanDerWaalsContact CG2-CD 3.43Å; T406-E554 HydrophobicContact CG2-CG 3.63Å
407	E	86.1	Confident	90.9	Very high	151 Å²	151	52.4 Å²	52.4	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	-58.5	-37.4	174.6	-175	177.2	-173.5	0	0	111.7	D409 R410 N411	E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 2.89Å; E407-R410 PolarHBondContact O-N 3.24Å; E407-N411 WeakPolarHBondContact CG-ND2 3.28Å; E407-N411 WeakPolarHBondContact O-CB 3.47Å; E407-N411 PolarHBondContact O-N 3.3Å; E407-N411 PolarHBondContact O-ND2 2.81Å
408	R	86.3	Confident	91	Very high	110 Å²	110	51.5 Å²	51.5	42%	0.415	26%	0.264	S	S	.	.	H	α-helix	trans	-57.2	-46	174	177.2	-169.6	179.4	-174	3.5	111.5	T406 N550	T406-R408 PolarHBondContact O-N 2.81Å; R408-N550 PolarHBondContact NH1-O 2.03Å
409	D	90	Very high	91	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.112	27%	0.27	C	S	.	.	H	α-helix	trans	-75.3	-38.5	-178.8	-66.3	-49.1	0	0	0	111.8	Q405 T406 E407 N411 R412 V420	Q405-D409 HydrophobicContact CB-CB 4.25Å; T406-D409 PolarHBondContact O-N 3.04Å; T406-D409 VanDerWaalsContact O-N 3.1Å; T406-D409 VanDerWaalsContact OG1-CG 3.31Å; T406-D409 PolarHBondContact OG1-N 3.02Å; T406-D409 VanDerWaalsContact OG1-N 3.09Å; T406-D409 PolarHBondContact OG1-OD2 2.93Å; E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 2.89Å; D409-N411 VanDerWaalsContact C-N 3.28Å; D409-N411 PolarHBondContact O-N 2.86Å; D409-R412 WeakPolarHBondContact O-CB 3.43Å; D409-R412 VanDerWaalsContact O-CD 3.25Å; D409-R412 WeakPolarHBondContact O-CD 3.39Å; D409-R412 WeakPolarHBondContact O-CG 3.3Å; D409-R412 PolarHBondContact O-N 3.46Å; D409-R412 PolarHBondContact O-NH1 3.44Å; D409-V420 HydrophobicContact CB-CG1 3.87Å
410	R	90.2	Very high	91.3	Very high	114 Å²	114	51.6 Å²	51.6	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-34.9	176.2	-70.7	-177.9	-161.7	-162.4	2.4	112.5	E404 Q405 T406 E407 R412 A415	E404-R410 IonicContact OE2-CZ 3.16Å; E404-R410 IonicContact OE2-NH2 2.76Å; E404-R410 PolarHBondContact OE2-NH2 3.11Å; Q405-R410 HydrophobicContact CB-CG 3.72Å; Q405-R410 PolarHBondContact O-NE 3.02Å; Q405-R410 PolarHBondContact O-NH2 3.17Å; T406-R410 WeakPolarHBondContact O-CG 3.49Å; T406-R410 PolarHBondContact O-N 3.29Å; E407-R410 PolarHBondContact O-N 3.24Å; R410-R412 VanDerWaalsContact C-N 3.33Å; R410-A415 VanDerWaalsContact O-CB 3.27Å; R410-A415 WeakPolarHBondContact O-CB 3.41Å
411	N	90.7	Very high	91.4	Very high	120 Å²	120	54.8 Å²	54.8	64%	0.642	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	12.3	-178.5	-66	-23.9	0	0	0	113.9	E407 D409	E407-N411 WeakPolarHBondContact CG-ND2 3.28Å; E407-N411 WeakPolarHBondContact O-CB 3.47Å; E407-N411 PolarHBondContact O-N 3.3Å; E407-N411 PolarHBondContact O-ND2 2.81Å; D409-N411 VanDerWaalsContact C-N 3.28Å; D409-N411 PolarHBondContact O-N 2.86Å
412	R	92.8	Very high	91.7	Very high	41 Å²	41	53.2 Å²	53.2	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-65.1	155.4	176.8	74.2	-170.5	179.1	-79.3	-2.2	111.8	D409 R410 G414 A415 P416 S418 P419 V420	D409-R412 WeakPolarHBondContact O-CB 3.43Å; D409-R412 VanDerWaalsContact O-CD 3.25Å; D409-R412 WeakPolarHBondContact O-CD 3.39Å; D409-R412 WeakPolarHBondContact O-CG 3.3Å; D409-R412 PolarHBondContact O-N 3.46Å; D409-R412 PolarHBondContact O-NH1 3.44Å; R410-R412 VanDerWaalsContact C-N 3.33Å; R412-G414 PolarHBondContact O-N 3.27Å; R412-A415 HydrophobicContact CG-CB 4.08Å; R412-A415 WeakPolarHBondContact O-CB 3.44Å; R412-A415 PolarHBondContact O-N 3.25Å; R412-P416 PolarHBondContact NH2-O 3.36Å; R412-S418 PolarHBondContact NE-O 3.09Å; R412-S418 PolarHBondContact NE-OG 3.49Å; R412-S418 PolarHBondContact NH2-O 3.24Å; R412-P419 WeakPolarHBondContact CD-O 3.25Å; R412-P419 PolarHBondContact NE-O 3.17Å; R412-P419 VanDerWaalsContact NE-O 3.14Å; R412-V420 VanDerWaalsContact CZ-CG2 3.43Å
413	S	93.5	Very high	92.1	Very high	85 Å²	85	52.4 Å²	52.4	59%	0.594	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	134.7	173.5	-172.8	0	0	0	0	111.6	A415 S418	S413-A415 VanDerWaalsContact C-N 3.31Å; S413-A415 PolarHBondContact O-N 3.3Å; S413-S418 WeakPolarHBondContact O-CB 3.2Å; S413-S418 PolarHBondContact O-OG 2.64Å
414	G	92.2	Very high	92.6	Very high	47 Å²	47	50.7 Å²	50.7	49%	0.485	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	8.1	-179.3	0	0	0	0	0	115.6	R412 Y417 S418	R412-G414 PolarHBondContact O-N 3.27Å; G414-Y417 PolarHBondContact O-N 2.92Å; G414-Y417 VanDerWaalsContact O-N 3.12Å; G414-S418 VanDerWaalsContact C-OG 3.24Å; G414-S418 PolarHBondContact O-N 3.27Å; G414-S418 PolarHBondContact O-OG 2.77Å
415	A	93.5	Very high	93.1	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	149	172.4	0	0	0	0	0	111.8	R410 R412 S413 S418	R410-A415 VanDerWaalsContact O-CB 3.27Å; R410-A415 WeakPolarHBondContact O-CB 3.41Å; R412-A415 HydrophobicContact CG-CB 4.08Å; R412-A415 WeakPolarHBondContact O-CB 3.44Å; R412-A415 PolarHBondContact O-N 3.25Å; S413-A415 VanDerWaalsContact C-N 3.31Å; S413-A415 PolarHBondContact O-N 3.3Å; A415-S418 PolarHBondContact N-OG 2.82Å
416	P	94.6	Very high	93.3	Very high	26 Å²	26	45.8 Å²	45.8	17%	0.169	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.7	-3.8	-0.3	35.1	-37.4	0	0	0	114.2	A386 D387 R412	A386-P416 HydrophobicContact CB-CB 4Å; A386-P416 HydrophobicContact CB-CG 3.97Å; D387-P416 WeakPolarHBondContact OD1-CB 3.26Å; D387-P416 VanDerWaalsContact OD1-CG 3.27Å; D387-P416 WeakPolarHBondContact OD1-CG 3.06Å; R412-P416 PolarHBondContact NH2-O 3.36Å
417	Y	95.6	Very high	93.6	Very high	55 Å²	55	45 Å²	45	22%	0.216	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.9	-166.8	-54.4	-63	0	0	0	115.1	E237 G238 T239 A386 G414	E237-Y417 HydrophobicContact CB-CE1 3.7Å; E237-Y417 WeakPolarHBondContact O-CE1 3.13Å; G238-Y417 WeakPolarHBondContact CA-OH 3.26Å; T239-Y417 HydrophobicContact CG2-CD2 4.2Å; T239-Y417 WeakPolarHBondContact OG1-CB 3.35Å; T239-Y417 WeakPolarHBondContact OG1-CD2 3.49Å; T239-Y417 VanDerWaalsContact OG1-CG 3.3Å; A386-Y417 HydrophobicContact CB-CD1 3.97Å; A386-Y417 HydrophobicContact CB-CE1 3.76Å; G414-Y417 PolarHBondContact O-N 2.92Å; G414-Y417 VanDerWaalsContact O-N 3.12Å
418	S	94.9	Very high	93.8	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-66.2	152.3	174.8	61.5	0	0	0	0	111.3	R412 S413 G414 A415	R412-S418 PolarHBondContact NE-O 3.09Å; R412-S418 PolarHBondContact NE-OG 3.49Å; R412-S418 PolarHBondContact NH2-O 3.24Å; S413-S418 WeakPolarHBondContact O-CB 3.2Å; S413-S418 PolarHBondContact O-OG 2.64Å; G414-S418 VanDerWaalsContact C-OG 3.24Å; G414-S418 PolarHBondContact O-N 3.27Å; G414-S418 PolarHBondContact O-OG 2.77Å; A415-S418 PolarHBondContact N-OG 2.82Å
419	P	96.3	Very high	94.4	Very high	25 Å²	25	33.2 Å²	33.2	16%	0.162	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-54.2	142.2	175.5	-24.2	32.6	0	0	0	112.6	R358 R412 E469 T470 V471	R358-P419 HydrophobicContact CG-CG 4.23Å; R412-P419 WeakPolarHBondContact CD-O 3.25Å; R412-P419 PolarHBondContact NE-O 3.17Å; R412-P419 VanDerWaalsContact NE-O 3.14Å; P419-E469 HydrophobicContact CB-CB 4.09Å; P419-E469 HydrophobicContact CB-CG 4.45Å; P419-E469 WeakPolarHBondContact CB-OE2 3.36Å; P419-T470 CarbonylContact C-O 3.46Å; P419-T470 WeakPolarHBondContact CA-O 3.4Å; P419-V471 HydrophobicContact CB-CG2 4.41Å
420	V	96.6	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.7	178.8	-164	0	0	0	0	108.8	V391 Q405 D409 R412 E469 T470 V472	V391-V420 HydrophobicContact CG1-CB 4.02Å; V391-V420 HydrophobicContact CG1-CG1 3.63Å; Q405-V420 HydrophobicContact CG-CG1 3.99Å; D409-V420 HydrophobicContact CB-CG1 3.87Å; R412-V420 VanDerWaalsContact CZ-CG2 3.43Å; V420-E469 CarbonylContact O-C 3.57Å; V420-E469 WeakPolarHBondContact O-CA 3.37Å; V420-T470 PolarHBondContact N-O 3.15Å; V420-T470 PolarHBondContact O-N 3.46Å; V420-V472 HydrophobicContact CG2-CG2 3.77Å
421	R	96	Very high	95.2	Very high	73 Å²	73	26.9 Å²	26.9	28%	0.275	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137	170.9	-67.7	176.3	63.2	167.4	3.8	109.7	W462	R421-W462 HydrophobicContact CB-CH2 4.4Å; R421-W462 HydrophobicContact CB-CZ2 4.33Å; R421-W462 HydrophobicContact CG-CH2 4.24Å
422	S	97.4	Very high	95.6	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	13%	0.133	C	C	.	.			trans	-123.5	124.1	178.2	-166.4	0	0	0	0	110.2	G392 T424 W462 L468	G392-S422 PolarHBondContact N-OG 2.83Å; S422-T424 PolarHBondContact O-N 2.91Å; S422-T424 PolarHBondContact OG-O 2.93Å; S422-W462 PolarHBondContact O-NE1 3.4Å; S422-L468 PolarHBondContact N-O 3.07Å
423	P	97.7	Very high	95.9	Very high	7 Å²	7	19.6 Å²	19.6	5%	0.045	13%	0.129	C	C	.	.	S	Bend	trans	-57.3	-36.7	175.9	-28.2	34.3	0	0	0	113.8	G392 Y547 Y552	G392-P423 WeakPolarHBondContact O-CB 3.11Å; G392-P423 WeakPolarHBondContact O-CD 3.24Å; P423-Y547 PolarHBondContact O-OH 3.04Å; P423-Y552 HydrophobicContact CB-CD1 3.87Å; P423-Y552 HydrophobicContact CB-CD2 4.12Å; P423-Y552 HydrophobicContact CB-CE1 4.44Å; P423-Y552 HydrophobicContact CB-CG 3.7Å; P423-Y552 HydrophobicContact CG-CD1 4.29Å; P423-Y552 HydrophobicContact CG-CD2 3.62Å; P423-Y552 HydrophobicContact CG-CE2 4.1Å; P423-Y552 HydrophobicContact CG-CG 3.72Å
424	T	98.4	Very high	96.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-141.8	172.8	179.8	71.3	0	0	0	0	111.9	G392 G393 F394 F400 S422 L455 S458 F459 L468	G392-T424 PolarHBondContact O-N 2.84Å; G392-T424 PolarHBondContact O-OG1 2.97Å; G393-T424 WeakPolarHBondContact CA-OG1 3.37Å; G393-T424 PolarHBondContact N-OG1 2.99Å; G393-T424 VanDerWaalsContact N-OG1 3.13Å; G393-T424 PolarHBondContact O-OG1 2.84Å; F394-T424 HydrophobicContact CD1-CG2 3.79Å; F400-T424 WeakPolarHBondContact CD2-OG1 3.48Å; F400-T424 WeakPolarHBondContact CE2-OG1 3.36Å; S422-T424 PolarHBondContact O-N 2.91Å; S422-T424 PolarHBondContact OG-O 2.93Å; T424-L455 HydrophobicContact CG2-CD2 3.68Å; T424-S458 VanDerWaalsContact CA-OG 3.32Å; T424-S458 WeakPolarHBondContact CA-OG 3.22Å; T424-F459 HydrophobicContact CG2-CE1 4.23Å; T424-L468 VanDerWaalsContact C-CD2 3.44Å
425	M	97.6	Very high	96.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.121	C	C	.	.			trans	-123.2	151.2	172.2	59	-176.6	142.9	0	0	111.8	V368 F400 G427 F430 N454 L457 S458 L468	V368-M425 HydrophobicContact CG1-CB 3.7Å; V368-M425 HydrophobicContact CG1-SD 4.42Å; F400-M425 VanDerWaalsContact CD2-O 3.3Å; F400-M425 WeakPolarHBondContact CD2-O 3.44Å; M425-G427 PolarHBondContact O-N 3.25Å; M425-F430 HydrophobicContact SD-CB 4.13Å; M425-F430 HydrophobicContact SD-CD1 4.3Å; M425-F430 HydrophobicContact SD-CD2 4.46Å; M425-F430 HydrophobicContact SD-CG 4.07Å; M425-N454 PolarHBondContact O-ND2 3.37Å; M425-N454 VanDerWaalsContact O-ND2 3.17Å; M425-L457 HydrophobicContact CE-CB 3.58Å; M425-L457 HydrophobicContact CE-CD2 3.5Å; M425-L457 HydrophobicContact CE-CG 3.43Å; M425-L457 VanDerWaalsContact CE-CG 3.43Å; M425-S458 PolarHBondContact N-OG 3.19Å; M425-L468 HydrophobicContact CB-CD1 4.49Å; M425-L468 HydrophobicContact CB-CD2 4.11Å; M425-L468 HydrophobicContact CG-CD2 4.39Å; M425-L468 HydrophobicContact SD-CD1 4.43Å
426	A	94.4	Very high	96.6	Very high	13 Å²	13	22 Å²	22	11%	0.107	11%	0.108	C	C	.	.			trans	-57	-36	171.4	0	0	0	0	0	111.9	I126 I371 F400 W402 N454	I126-A426 HydrophobicContact CD1-CB 3.6Å; I371-A426 HydrophobicContact CD1-CB 3.93Å; F400-A426 HydrophobicContact CD1-CB 4.49Å; F400-A426 HydrophobicContact CE1-CB 3.97Å; F400-A426 HydrophobicContact CE2-CB 4.37Å; F400-A426 HydrophobicContact CZ-CB 3.9Å; W402-A426 HydrophobicContact CH2-CB 4.17Å; W402-A426 HydrophobicContact CZ2-CB 3.93Å; A426-N454 PolarHBondContact O-ND2 3.01Å
427	G	90.7	Very high	96.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	100.9	-28.6	172.4	0	0	0	0	0	114.7	R326 M425 L429 F430	R326-G427 VanDerWaalsContact CZ-O 3.27Å; R326-G427 PolarHBondContact NH1-O 3.34Å; R326-G427 PolarHBondContact NH2-O 2.85Å; M425-G427 PolarHBondContact O-N 3.25Å; G427-L429 PolarHBondContact O-N 3.35Å; G427-F430 WeakPolarHBondContact O-CD1 3.45Å
428	G	90.6	Very high	97	Very high	11 Å²	11	21.2 Å²	21.2	11%	0.113	11%	0.111	C	C	.	.	S	Bend	trans	-57.1	-46.4	177.7	0	0	0	0	0	113.8	R326 D342	R326-G428 PolarHBondContact NH2-O 3.47Å; R326-G428 VanDerWaalsContact NH2-O 3.12Å; D342-G428 WeakPolarHBondContact OD1-CA 3.48Å
429	L	98.4	Very high	97.1	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.129	C	C	.	.	S	Bend	trans	-129.3	114.5	-167.4	-70	71	0	0	0	110.1	F340 L341 D342 I345 P369 I371 G427 V476	F340-L429 VanDerWaalsContact O-CA 3.29Å; F340-L429 WeakPolarHBondContact O-CA 3.41Å; L341-L429 HydrophobicContact CD2-CB 4.21Å; L341-L429 HydrophobicContact CD2-CD2 4.07Å; L341-L429 HydrophobicContact CD2-CG 3.83Å; D342-L429 HydrophobicContact CB-CD1 4.41Å; I345-L429 HydrophobicContact CG2-CD1 4.23Å; I345-L429 HydrophobicContact CG2-CD2 4.09Å; I345-L429 HydrophobicContact CG2-CG 4.39Å; P369-L429 HydrophobicContact CG-CB 3.92Å; P369-L429 HydrophobicContact CG-CD2 4.21Å; I371-L429 HydrophobicContact CD1-CB 4.28Å; I371-L429 HydrophobicContact CD1-CD1 4.4Å; I371-L429 HydrophobicContact CG1-CD2 4.34Å; G427-L429 PolarHBondContact O-N 3.35Å; L429-V476 HydrophobicContact CD2-CB 3.69Å; L429-V476 HydrophobicContact CD2-CG1 3.44Å; L429-V476 VanDerWaalsContact CD2-CG1 3.44Å; L429-V476 HydrophobicContact CD2-CG2 4.45Å
430	F	98.8	Very high	97.2	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	159.8	175.9	70.2	-79.4	0	0	0	112	V339 F340 V366 V367 V368 M425 G427 I432 Y443 L457	V339-F430 CarbonylContact C-O 3.52Å; V339-F430 WeakPolarHBondContact CA-O 3.22Å; F340-F430 HydrophobicContact CB-CD1 3.95Å; F340-F430 HydrophobicContact CB-CE1 3.65Å; F340-F430 HydrophobicContact CB-CZ 4.2Å; F340-F430 HydrophobicContact CD2-CD1 4.21Å; F340-F430 HydrophobicContact CD2-CD2 4.18Å; F340-F430 AromaticContact CD2-CE1 3.51Å; F340-F430 HydrophobicContact CD2-CE1 3.51Å; F340-F430 AromaticContact CD2-CE2 3.5Å; F340-F430 HydrophobicContact CD2-CE2 3.5Å; F340-F430 VanDerWaalsContact CD2-CE2 3.5Å; F340-F430 AromaticContact CD2-CZ 3.11Å; F340-F430 HydrophobicContact CD2-CZ 3.11Å; F340-F430 HydrophobicContact CE2-CE1 4.37Å; F340-F430 AromaticContact CE2-CE2 3.85Å; F340-F430 HydrophobicContact CE2-CE2 3.85Å; F340-F430 AromaticContact CE2-CZ 3.57Å; F340-F430 HydrophobicContact CE2-CZ 3.57Å; F340-F430 HydrophobicContact CG-CD1 4.44Å; F340-F430 AromaticContact CG-CE1 3.74Å; F340-F430 HydrophobicContact CG-CE1 3.74Å; F340-F430 AromaticContact CG-CZ 3.8Å; F340-F430 HydrophobicContact CG-CZ 3.8Å; F340-F430 PolarHBondContact N-O 3.42Å; F340-F430 PolarHBondContact O-N 2.94Å; F340-F430 VanDerWaalsContact O-N 3.16Å; V366-F430 HydrophobicContact CG1-CD2 4.07Å; V367-F430 CarbonylContact O-C 3.35Å; V367-F430 VanDerWaalsContact O-CA 3.28Å; V367-F430 WeakPolarHBondContact O-CA 3.36Å; V367-F430 WeakPolarHBondContact O-CB 3.24Å; V368-F430 HydrophobicContact CG1-CB 3.88Å; M425-F430 HydrophobicContact SD-CB 4.13Å; M425-F430 HydrophobicContact SD-CD1 4.3Å; M425-F430 HydrophobicContact SD-CD2 4.46Å; M425-F430 HydrophobicContact SD-CG 4.07Å; G427-F430 WeakPolarHBondContact O-CD1 3.45Å; F430-I432 HydrophobicContact CD2-CB 4.3Å; F430-I432 HydrophobicContact CD2-CG2 4.2Å; F430-I432 HydrophobicContact CE2-CB 4.24Å; F430-I432 HydrophobicContact CE2-CG2 3.73Å; F430-Y443 WeakPolarHBondContact CE1-OH 3.38Å; F430-Y443 WeakPolarHBondContact CZ-OH 3.47Å; F430-L457 HydrophobicContact CE2-CD2 3.74Å; F430-L457 HydrophobicContact CZ-CD2 3.88Å
431	A	98.9	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.1	170.9	0	0	0	0	0	111.4	V337 L338 V339 L355 I359 V367	V337-A431 HydrophobicContact CG1-CB 4.03Å; L338-A431 CarbonylContact O-C 3.48Å; L338-A431 VanDerWaalsContact O-CA 3.25Å; L338-A431 WeakPolarHBondContact O-CA 3.41Å; V339-A431 HydrophobicContact CB-CB 4.43Å; V339-A431 HydrophobicContact CG1-CB 4.38Å; V339-A431 HydrophobicContact CG2-CB 3.86Å; L355-A431 HydrophobicContact CB-CB 4.45Å; I359-A431 HydrophobicContact CD1-CB 3.76Å; V367-A431 HydrophobicContact CG2-CB 3.77Å; V367-A431 PolarHBondContact N-O 3.42Å; V367-A431 PolarHBondContact O-N 2.9Å
432	I	98.9	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.3	-178.3	-173.1	163.8	0	0	0	110.4	L338 F340 V366 F430 R434 Y436 F437	L338-I432 HydrophobicContact CB-CG2 4.08Å; L338-I432 PolarHBondContact N-O 3.17Å; L338-I432 PolarHBondContact O-N 2.87Å; F340-I432 HydrophobicContact CE2-CG2 4.24Å; V366-I432 HydrophobicContact CG1-CB 4.34Å; V366-I432 HydrophobicContact CG2-CB 4.34Å; V366-I432 HydrophobicContact CG2-CD1 3.58Å; V366-I432 HydrophobicContact CG2-CG1 3.79Å; F430-I432 HydrophobicContact CD2-CB 4.3Å; F430-I432 HydrophobicContact CD2-CG2 4.2Å; F430-I432 HydrophobicContact CE2-CB 4.24Å; F430-I432 HydrophobicContact CE2-CG2 3.73Å; I432-R434 PolarHBondContact O-N 3.3Å; I432-Y436 HydrophobicContact CD1-CD1 4.07Å; I432-Y436 HydrophobicContact CG1-CD1 4.22Å; I432-F437 HydrophobicContact CD1-CB 3.87Å; I432-F437 HydrophobicContact CD1-CD2 4.02Å; I432-F437 HydrophobicContact CD1-CG 4.41Å; I432-F437 HydrophobicContact CG1-CB 4.11Å; I432-F437 HydrophobicContact CG2-CB 3.97Å; I432-F437 HydrophobicContact CG2-CD2 4.39Å; I432-F437 HydrophobicContact CG2-CG 4.25Å
433	S	98.7	Very high	97.4	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.063	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	133.7	167.8	168.7	0	0	0	0	110.4	S363 E435 Y436 F437	S363-S433 VanDerWaalsContact O-CB 3.28Å; S363-S433 WeakPolarHBondContact O-CB 3.5Å; S433-E435 PolarHBondContact O-N 2.95Å; S433-E435 PolarHBondContact OG-N 2.85Å; S433-Y436 PolarHBondContact O-N 3.09Å; S433-Y436 VanDerWaalsContact O-N 3.17Å; S433-F437 PolarHBondContact O-N 3.03Å
434	R	98.6	Very high	97.4	Very high	56 Å²	56	24.2 Å²	24.2	21%	0.211	13%	0.128	C	C	.	.	H	α-helix	trans	-54	-44.3	175.6	173.7	-174.1	-63.5	-74.5	-13.4	111.9	A330 S333 T334 G335 K336 L338 I432 S438	A330-R434 PolarHBondContact O-NH1 3.2Å; S333-R434 VanDerWaalsContact CB-NH2 3.33Å; S333-R434 PolarHBondContact O-NH1 2.91Å; S333-R434 PolarHBondContact O-NH2 2.91Å; S333-R434 PolarHBondContact OG-NH1 3.22Å; S333-R434 PolarHBondContact OG-NH2 3.34Å; T334-R434 VanDerWaalsContact N-NH2 3.15Å; G335-R434 PolarHBondContact O-NE 2.74Å; G335-R434 PolarHBondContact O-NH2 3.46Å; K336-R434 WeakPolarHBondContact O-CB 3.33Å; K336-R434 PolarHBondContact O-N 2.75Å; L338-R434 HydrophobicContact CD1-CB 4.47Å; L338-R434 HydrophobicContact CD2-CB 4.43Å; L338-R434 HydrophobicContact CG-CB 4.16Å; I432-R434 PolarHBondContact O-N 3.3Å; R434-S438 PolarHBondContact O-N 3.17Å; R434-S438 VanDerWaalsContact O-N 3.09Å; R434-S438 PolarHBondContact O-OG 3.33Å
435	E	98.3	Very high	97.3	Very high	154 Å²	154	27.1 Å²	27.1	72%	0.72	15%	0.148	S	C	*	.	H	α-helix	trans	-65.4	-43.2	-179	-66.5	178.9	175.8	0	0	110.6	S433 S438 H439	S433-E435 PolarHBondContact O-N 2.95Å; S433-E435 PolarHBondContact OG-N 2.85Å; E435-S438 PolarHBondContact O-N 3.22Å; E435-H439 WeakPolarHBondContact O-CB 3.49Å; E435-H439 PolarHBondContact O-N 3.45Å
436	Y	98.5	Very high	97.2	Very high	11 Å²	11	27.8 Å²	27.8	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-69.7	-38.6	179.4	-167.2	-121.3	0	0	0	112.4	S363 S364 V366 I432 S433 S438 H439 L440 V461 G466	S363-Y436 WeakPolarHBondContact O-CB 3.21Å; S364-Y436 WeakPolarHBondContact O-CE1 3.21Å; V366-Y436 HydrophobicContact CG2-CD1 4.16Å; V366-Y436 HydrophobicContact CG2-CE1 4.13Å; I432-Y436 HydrophobicContact CD1-CD1 4.07Å; I432-Y436 HydrophobicContact CG1-CD1 4.22Å; S433-Y436 PolarHBondContact O-N 3.09Å; S433-Y436 VanDerWaalsContact O-N 3.17Å; Y436-S438 VanDerWaalsContact C-N 3.26Å; Y436-S438 PolarHBondContact O-N 2.87Å; Y436-H439 HydrophobicContact CD2-CB 4.36Å; Y436-H439 AromaticContact CD2-CD2 3.95Å; Y436-H439 AromaticContact CE2-CD2 3.76Å; Y436-H439 WeakPolarHBondContact O-CB 3.15Å; Y436-H439 PolarHBondContact O-N 3.01Å; Y436-L440 HydrophobicContact CD1-CD1 4.01Å; Y436-L440 HydrophobicContact CD1-CG 4.39Å; Y436-L440 HydrophobicContact CE1-CD1 3.53Å; Y436-L440 HydrophobicContact CE1-CD2 4.45Å; Y436-L440 HydrophobicContact CE1-CG 4.02Å; Y436-L440 HydrophobicContact CE2-CD2 4.19Å; Y436-L440 HydrophobicContact CE2-CG 4.19Å; Y436-L440 WeakPolarHBondContact O-CG 3.39Å; Y436-L440 PolarHBondContact O-N 3.14Å; Y436-V461 HydrophobicContact CE1-CG2 4.44Å; Y436-G466 WeakPolarHBondContact OH-CA 3.15Å; Y436-G466 PolarHBondContact OH-N 2.77Å; Y436-G466 VanDerWaalsContact OH-N 3.08Å
437	F	98.6	Very high	97.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-40.1	172.4	-172.6	-127.6	0	0	0	111.8	A330 L338 F340 I432 S433 K442 Y443 L457	A330-F437 HydrophobicContact CB-CD1 4.45Å; A330-F437 HydrophobicContact CB-CE1 4.13Å; L338-F437 HydrophobicContact CD1-CB 4.23Å; L338-F437 HydrophobicContact CD1-CD1 3.62Å; L338-F437 HydrophobicContact CD1-CE1 4.36Å; L338-F437 HydrophobicContact CD1-CG 4.22Å; F340-F437 HydrophobicContact CZ-CE1 4.24Å; F340-F437 HydrophobicContact CZ-CZ 4.46Å; I432-F437 HydrophobicContact CD1-CB 3.87Å; I432-F437 HydrophobicContact CD1-CD2 4.02Å; I432-F437 HydrophobicContact CD1-CG 4.41Å; I432-F437 HydrophobicContact CG1-CB 4.11Å; I432-F437 HydrophobicContact CG2-CB 3.97Å; I432-F437 HydrophobicContact CG2-CD2 4.39Å; I432-F437 HydrophobicContact CG2-CG 4.25Å; S433-F437 PolarHBondContact O-N 3.03Å; F437-K442 HydrophobicContact CD1-CB 4.34Å; F437-K442 HydrophobicContact CD1-CG 3.97Å; F437-K442 HydrophobicContact CE1-CB 3.82Å; F437-K442 HydrophobicContact CE1-CD 4.45Å; F437-K442 HydrophobicContact CE1-CG 3.82Å; F437-K442 HydrophobicContact CE2-CB 4.21Å; F437-K442 HydrophobicContact CZ-CB 3.75Å; F437-K442 HydrophobicContact CZ-CG 4.27Å; F437-K442 WeakPolarHBondContact O-CA 3.16Å; F437-K442 PolarHBondContact O-N 3.21Å; F437-Y443 HydrophobicContact CZ-CD2 4.12Å; F437-Y443 HydrophobicContact CZ-CE2 4.26Å; F437-Y443 HydrophobicContact CZ-CG 4.49Å; F437-L457 HydrophobicContact CD2-CD1 4.47Å; F437-L457 HydrophobicContact CE2-CD2 4.25Å
438	S	98.1	Very high	97.4	Very high	64 Å²	64	28.6 Å²	28.6	45%	0.448	16%	0.157	S	C	.	.	H	α-helix	trans	-69.6	-40.8	175.3	-56.3	0	0	0	0	111.9	R434 E435 Y436 L440 G441	R434-S438 PolarHBondContact O-N 3.17Å; R434-S438 VanDerWaalsContact O-N 3.09Å; R434-S438 PolarHBondContact O-OG 3.33Å; E435-S438 PolarHBondContact O-N 3.22Å; Y436-S438 VanDerWaalsContact C-N 3.26Å; Y436-S438 PolarHBondContact O-N 2.87Å; S438-L440 VanDerWaalsContact C-N 3.34Å; S438-L440 PolarHBondContact O-N 2.82Å; S438-G441 PolarHBondContact O-N 3.19Å
439	H	98.1	Very high	97.3	Very high	100 Å²	100	28.3 Å²	28.3	46%	0.463	15%	0.153	S	C	.	.	H	α-helix	trans	-58.4	-42.9	175.9	177.2	77.7	0	0	0	112.2	E435 Y436 G441 L539	E435-H439 WeakPolarHBondContact O-CB 3.49Å; E435-H439 PolarHBondContact O-N 3.45Å; Y436-H439 HydrophobicContact CD2-CB 4.36Å; Y436-H439 AromaticContact CD2-CD2 3.95Å; Y436-H439 AromaticContact CE2-CD2 3.76Å; Y436-H439 WeakPolarHBondContact O-CB 3.15Å; Y436-H439 PolarHBondContact O-N 3.01Å; H439-G441 PolarHBondContact O-N 2.62Å; H439-L539 VanDerWaalsContact CE1-CD2 3.47Å; H439-L539 WeakPolarHBondContact CE1-CD2 3.34Å
440	L	98.5	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	4.2	175.5	-66.3	-176.7	0	0	0	114.3	Y436 S438 L457 K460 V461 C464 L539	Y436-L440 HydrophobicContact CD1-CD1 4.01Å; Y436-L440 HydrophobicContact CD1-CG 4.39Å; Y436-L440 HydrophobicContact CE1-CD1 3.53Å; Y436-L440 HydrophobicContact CE1-CD2 4.45Å; Y436-L440 HydrophobicContact CE1-CG 4.02Å; Y436-L440 HydrophobicContact CE2-CD2 4.19Å; Y436-L440 HydrophobicContact CE2-CG 4.19Å; Y436-L440 WeakPolarHBondContact O-CG 3.39Å; Y436-L440 PolarHBondContact O-N 3.14Å; S438-L440 VanDerWaalsContact C-N 3.34Å; S438-L440 PolarHBondContact O-N 2.82Å; L440-L457 HydrophobicContact CD1-CD1 3.86Å; L440-K460 HydrophobicContact CD1-CB 4.38Å; L440-K460 HydrophobicContact CD2-CB 4.3Å; L440-K460 WeakPolarHBondContact O-CD 3.43Å; L440-K460 PolarHBondContact O-NZ 3.08Å; L440-K460 VanDerWaalsContact O-NZ 3.14Å; L440-V461 HydrophobicContact CD1-CG2 3.7Å; L440-C464 HydrophobicContact CD2-CB 3.84Å; L440-L539 HydrophobicContact CD2-CD1 4.47Å
441	G	98.2	Very high	96.5	Very high	18 Å²	18	31.3 Å²	31.3	19%	0.186	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	36.8	-177.6	0	0	0	0	0	113.7	S438 H439 R532	S438-G441 PolarHBondContact O-N 3.19Å; H439-G441 PolarHBondContact O-N 2.62Å; G441-R532 PolarHBondContact O-NH1 2.89Å; G441-R532 PolarHBondContact O-NH2 3.17Å
442	K	98	Very high	96.3	Very high	56 Å²	56	31.5 Å²	31.5	24%	0.243	17%	0.167	C	C	.	.	S	Bend	trans	51.7	-134.3	175.1	-57	176.4	-179.1	172.7	0	112.4	M327 E331 F437 K460	M327-K442 HydrophobicContact CG-CB 4.41Å; M327-K442 HydrophobicContact SD-CB 4.09Å; M327-K442 HydrophobicContact SD-CD 4.49Å; E331-K442 IonicContact OE1-NZ 2.96Å; E331-K442 PolarHBondContact OE1-NZ 3.1Å; F437-K442 HydrophobicContact CD1-CB 4.34Å; F437-K442 HydrophobicContact CD1-CG 3.97Å; F437-K442 HydrophobicContact CE1-CB 3.82Å; F437-K442 HydrophobicContact CE1-CD 4.45Å; F437-K442 HydrophobicContact CE1-CG 3.82Å; F437-K442 HydrophobicContact CE2-CB 4.21Å; F437-K442 HydrophobicContact CZ-CB 3.75Å; F437-K442 HydrophobicContact CZ-CG 4.27Å; F437-K442 WeakPolarHBondContact O-CA 3.16Å; F437-K442 PolarHBondContact O-N 3.21Å; K442-K460 PolarHBondContact O-NZ 3.27Å
443	Y	98.1	Very high	96.2	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	17%	0.169	C	C	.	.	S	Bend	trans	-94	162.1	163.3	-67.3	-54.1	0	0	0	110.6	I323 R326 M327 F430 F437 S445 E453 E456 L457	I323-Y443 HydrophobicContact CG2-CD2 4.02Å; I323-Y443 HydrophobicContact CG2-CG 4.04Å; R326-Y443 HydrophobicContact CB-CE2 4.15Å; R326-Y443 PolarHBondContact NH1-OH 2.86Å; R326-Y443 VanDerWaalsContact NH1-OH 3.09Å; M327-Y443 HydrophobicContact CG-CD2 4.27Å; F430-Y443 WeakPolarHBondContact CE1-OH 3.38Å; F430-Y443 WeakPolarHBondContact CZ-OH 3.47Å; F437-Y443 HydrophobicContact CZ-CD2 4.12Å; F437-Y443 HydrophobicContact CZ-CE2 4.26Å; F437-Y443 HydrophobicContact CZ-CG 4.49Å; Y443-S445 PolarHBondContact O-N 3.19Å; Y443-E453 HydrophobicContact CD1-CB 3.64Å; Y443-E453 HydrophobicContact CD1-CG 4.02Å; Y443-E453 HydrophobicContact CE1-CB 3.79Å; Y443-E453 HydrophobicContact CE1-CG 3.69Å; Y443-E453 WeakPolarHBondContact CE1-O 3.38Å; Y443-E453 HydrophobicContact CE2-CG 4.33Å; Y443-E453 HydrophobicContact CG-CB 4.13Å; Y443-E453 HydrophobicContact CG-CG 4.45Å; Y443-E456 WeakPolarHBondContact CA-OE2 3.41Å; Y443-L457 HydrophobicContact CD1-CB 4.32Å; Y443-L457 HydrophobicContact CE1-CB 3.87Å; Y443-L457 HydrophobicContact CE1-CD2 3.76Å; Y443-L457 HydrophobicContact CE1-CG 4.41Å
444	D	98.1	Very high	96.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.17	C	C	.	.			trans	-65.2	110.2	167.7	-179.9	2	0	0	0	110.7	G446 M447 E456 R502	D444-G446 PolarHBondContact O-N 3.02Å; D444-G446 WeakPolarHBondContact OD1-CA 3.48Å; D444-G446 PolarHBondContact OD1-N 2.79Å; D444-M447 HydrophobicContact CB-CE 4.12Å; D444-M447 HydrophobicContact CB-CG 3.9Å; D444-M447 HydrophobicContact CB-SD 4.15Å; D444-M447 WeakPolarHBondContact O-CB 3.47Å; D444-M447 PolarHBondContact O-N 2.96Å; D444-M447 VanDerWaalsContact O-N 3.08Å; D444-E456 PolarHBondContact N-OE1 3.32Å; D444-E456 PolarHBondContact N-OE2 3.14Å; D444-E456 VanDerWaalsContact N-OE2 3.14Å; D444-R502 IonicContact OD1-CZ 2.79Å; D444-R502 IonicContact OD1-NE 3.45Å; D444-R502 IonicContact OD1-NH2 3.66Å; D444-R502 PolarHBondContact OD1-NH2 3.41Å; D444-R502 IonicContact OD2-CZ 3.55Å; D444-R502 IonicContact OD2-NE 2.9Å; D444-R502 PolarHBondContact OD2-NE 3.05Å; D444-R502 IonicContact OD2-NH2 3.96Å; D444-R502 PolarHBondContact OD2-NH2 3.3Å
445	S	95.5	Very high	96.2	Very high	61 Å²	61	29.5 Å²	29.5	43%	0.427	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.9	-179.7	58.3	0	0	0	0	113.9	R324 Y443 M447	R324-S445 PolarHBondContact NH2-O 2.77Å; Y443-S445 PolarHBondContact O-N 3.19Å; S445-M447 VanDerWaalsContact C-N 3.33Å
446	G	95.1	Very high	96.2	Very high	17 Å²	17	22.2 Å²	22.2	18%	0.175	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6	174	0	0	0	0	0	114.4	D444 R498	D444-G446 PolarHBondContact O-N 3.02Å; D444-G446 WeakPolarHBondContact OD1-CA 3.48Å; D444-G446 PolarHBondContact OD1-N 2.79Å; G446-R498 PolarHBondContact O-NE 2.76Å
447	M	95.9	Very high	96.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-74.2	142.9	168.9	-70.8	-176.9	178.2	0	0	110.9	I323 R324 D444 S445 E453 E456 N499 L503	I323-M447 HydrophobicContact CD1-CB 3.51Å; I323-M447 HydrophobicContact CD1-CG 4.47Å; I323-M447 HydrophobicContact CD1-SD 4.23Å; R324-M447 PolarHBondContact NH2-O 2.77Å; R324-M447 VanDerWaalsContact NH2-O 3.14Å; D444-M447 HydrophobicContact CB-CE 4.12Å; D444-M447 HydrophobicContact CB-CG 3.9Å; D444-M447 HydrophobicContact CB-SD 4.15Å; D444-M447 WeakPolarHBondContact O-CB 3.47Å; D444-M447 PolarHBondContact O-N 2.96Å; D444-M447 VanDerWaalsContact O-N 3.08Å; S445-M447 VanDerWaalsContact C-N 3.33Å; M447-E453 HydrophobicContact SD-CB 4.16Å; M447-E456 HydrophobicContact CE-CB 4.05Å; M447-E456 HydrophobicContact CE-CG 4.25Å; M447-N499 WeakPolarHBondContact CA-OD1 3.21Å; M447-N499 HydrophobicContact CB-CB 4.34Å; M447-N499 WeakPolarHBondContact CB-OD1 3.3Å; M447-N499 HydrophobicContact CG-CB 3.97Å; M447-N499 HydrophobicContact SD-CB 4.25Å; M447-L503 HydrophobicContact CE-CB 4.07Å
448	E	93.5	Very high	96.2	Very high	30 Å²	30	21.6 Å²	21.6	14%	0.14	12%	0.123	C	C	.	.			trans	-96.7	137.3	179	-68.6	-53.3	146.7	0	0	111.4	R324 W450 V492 P495 N499	R324-E448 IonicContact CZ-OE1 3.64Å; R324-E448 IonicContact CZ-OE2 2.77Å; R324-E448 IonicContact NH1-OE1 3.72Å; R324-E448 IonicContact NH1-OE2 3.8Å; R324-E448 PolarHBondContact NH1-OE2 3.13Å; R324-E448 IonicContact NH2-OE1 2.72Å; R324-E448 PolarHBondContact NH2-OE1 2.66Å; R324-E448 IonicContact NH2-OE2 3.59Å; R324-E448 PolarHBondContact NH2-OE2 2.8Å; E448-W450 PolarHBondContact O-N 3.47Å; E448-V492 HydrophobicContact CG-CG2 4.13Å; E448-P495 HydrophobicContact CB-CB 3.88Å; E448-N499 PolarHBondContact N-OD1 2.88Å; E448-N499 PolarHBondContact O-ND2 3.18Å
449	I	89.4	Confident	96.2	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	58.4	-85.8	167.3	-45.6	166.1	0	0	0	115.6	G321 L322 I323 W488 V490 P495	G321-I449 CarbonylContact C-O 3.52Å; L322-I449 PolarHBondContact N-O 3.23Å; I323-I449 PolarHBondContact N-O 2.95Å; I323-I449 VanDerWaalsContact N-O 3.13Å; I449-W488 HydrophobicContact CB-CD2 4.38Å; I449-W488 HydrophobicContact CB-CE3 4.35Å; I449-W488 HydrophobicContact CB-CZ3 4.49Å; I449-W488 HydrophobicContact CD1-CB 3.46Å; I449-W488 VanDerWaalsContact CD1-CB 3.46Å; I449-W488 HydrophobicContact CD1-CD2 3.87Å; I449-W488 HydrophobicContact CD1-CE3 4.19Å; I449-W488 HydrophobicContact CD1-CG 3.55Å; I449-W488 HydrophobicContact CG1-CD2 4.23Å; I449-W488 HydrophobicContact CG1-CE3 4.11Å; I449-W488 HydrophobicContact CG1-CG 4.41Å; I449-W488 HydrophobicContact CG2-CD2 3.29Å; I449-W488 HydrophobicContact CG2-CE3 3.27Å; I449-W488 HydrophobicContact CG2-CG 4.06Å; I449-W488 HydrophobicContact CG2-CH2 3.19Å; I449-W488 HydrophobicContact CG2-CZ2 3.27Å; I449-W488 HydrophobicContact CG2-CZ3 3.22Å; I449-V490 HydrophobicContact CD1-CB 4.41Å; I449-V490 HydrophobicContact CD1-CG1 3.77Å; I449-V490 HydrophobicContact CD1-CG2 3.7Å; I449-V490 HydrophobicContact CG1-CG1 3.71Å; I449-V490 HydrophobicContact CG1-CG2 4.4Å; I449-P495 HydrophobicContact CD1-CB 3.79Å; I449-P495 HydrophobicContact CD1-CG 3.78Å; I449-P495 HydrophobicContact CG1-CB 4.49Å
450	W	88.9	Confident	96.3	Very high	61 Å²	61	13.8 Å²	13.8	23%	0.231	8%	0.08	C	C	.	.	S	Bend	trans	-159.9	158.9	-174.9	75.6	-86.3	0	0	0	109.7	P128 P129 L322 E448 W488 N499	P128-W450 HydrophobicContact CB-CH2 3.99Å; P129-W450 HydrophobicContact CG-CH2 4.31Å; P129-W450 HydrophobicContact CG-CZ2 3.67Å; L322-W450 HydrophobicContact CB-CB 4.06Å; L322-W450 HydrophobicContact CD2-CB 4.26Å; E448-W450 PolarHBondContact O-N 3.47Å; W450-W488 AromaticContact CD1-CZ2 3.95Å; W450-W488 AromaticContact CD1-NE1 3.99Å; W450-W488 AromaticContact NE1-NE1 3.79Å; W450-N499 PolarHBondContact O-ND2 3.2Å
451	G	90.3	Very high	96.3	Very high	6 Å²	6	13.8 Å²	13.8	6%	0.062	8%	0.08	C	C	.	.	S	Bend	trans	99.1	131.5	175.5	0	0	0	0	0	112.3	E453 N499	G451-E453 VanDerWaalsContact C-N 3.29Å; G451-E453 WeakPolarHBondContact CA-OE2 3.21Å; G451-E453 PolarHBondContact N-OE2 3.32Å; G451-E453 PolarHBondContact O-N 3.26Å; G451-N499 VanDerWaalsContact O-CB 3.24Å; G451-N499 WeakPolarHBondContact O-CB 3.45Å; G451-N499 PolarHBondContact O-ND2 3.33Å
452	G	94.8	Very high	96.3	Very high	3 Å²	3	13.3 Å²	13.3	3%	0.031	7%	0.073	C	C	.	.	S	Bend	trans	88.2	-24.3	179.9	0	0	0	0	0	114.1	N454 L455 E456 L503	G452-N454 VanDerWaalsContact C-N 3.27Å; G452-N454 PolarHBondContact N-OD1 3.35Å; G452-N454 PolarHBondContact O-N 2.98Å; G452-L455 PolarHBondContact O-N 2.94Å; G452-E456 PolarHBondContact O-N 3.46Å; G452-L503 VanDerWaalsContact O-CD1 3.22Å; G452-L503 WeakPolarHBondContact O-CD1 3.29Å
453	E	97.6	Very high	96.3	Very high	8 Å²	8	10.8 Å²	10.8	4%	0.037	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-31.6	-179.6	81.8	-72	176.6	0	0	112.7	I323 Y443 M447 G451 E456 L457	I323-E453 HydrophobicContact CD1-CB 3.94Å; I323-E453 HydrophobicContact CD1-CG 4.34Å; I323-E453 HydrophobicContact CG1-CB 3.96Å; I323-E453 HydrophobicContact CG1-CG 3.9Å; Y443-E453 HydrophobicContact CD1-CB 3.64Å; Y443-E453 HydrophobicContact CD1-CG 4.02Å; Y443-E453 HydrophobicContact CE1-CB 3.79Å; Y443-E453 HydrophobicContact CE1-CG 3.69Å; Y443-E453 WeakPolarHBondContact CE1-O 3.38Å; Y443-E453 HydrophobicContact CE2-CG 4.33Å; Y443-E453 HydrophobicContact CG-CB 4.13Å; Y443-E453 HydrophobicContact CG-CG 4.45Å; M447-E453 HydrophobicContact SD-CB 4.16Å; G451-E453 VanDerWaalsContact C-N 3.29Å; G451-E453 WeakPolarHBondContact CA-OE2 3.21Å; G451-E453 PolarHBondContact N-OE2 3.32Å; G451-E453 PolarHBondContact O-N 3.26Å; E453-E456 PolarHBondContact O-N 3.46Å; E453-L457 WeakPolarHBondContact O-CB 3.49Å; E453-L457 PolarHBondContact O-N 3.41Å
454	N	97.6	Very high	96.4	Very high	15 Å²	15	11.3 Å²	11.3	8%	0.08	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.6	65.6	-51	0	0	0	111.1	M425 A426 G452 S458	M425-N454 PolarHBondContact O-ND2 3.37Å; M425-N454 VanDerWaalsContact O-ND2 3.17Å; A426-N454 PolarHBondContact O-ND2 3.01Å; G452-N454 VanDerWaalsContact C-N 3.27Å; G452-N454 PolarHBondContact N-OD1 3.35Å; G452-N454 PolarHBondContact O-N 2.98Å; N454-S458 WeakPolarHBondContact O-CB 3.32Å; N454-S458 PolarHBondContact O-N 2.99Å; N454-S458 VanDerWaalsContact O-N 3.07Å; N454-S458 PolarHBondContact O-OG 3Å
455	L	98.5	Very high	96.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-72.7	-41.8	173.7	-66.3	-176.8	0	0	0	111.7	F394 L398 T424 G452 L457 S458 F459 L503	F394-L455 HydrophobicContact CB-CD1 4.18Å; F394-L455 HydrophobicContact CB-CD2 3.84Å; F394-L455 HydrophobicContact CG-CD2 4.37Å; L398-L455 HydrophobicContact CB-CD1 4.12Å; L398-L455 WeakPolarHBondContact O-CD1 3.48Å; T424-L455 HydrophobicContact CG2-CD2 3.68Å; G452-L455 PolarHBondContact O-N 2.94Å; L455-L457 PolarHBondContact O-N 3.07Å; L455-S458 WeakPolarHBondContact O-CB 3.49Å; L455-S458 PolarHBondContact O-N 2.83Å; L455-F459 HydrophobicContact CB-CE2 4.03Å; L455-F459 HydrophobicContact CB-CZ 4.1Å; L455-F459 HydrophobicContact CD2-CZ 4.41Å; L455-F459 VanDerWaalsContact O-CD2 3.29Å; L455-F459 WeakPolarHBondContact O-CD2 3.46Å; L455-F459 WeakPolarHBondContact O-CG 3.38Å; L455-F459 PolarHBondContact O-N 3.2Å; L455-L503 HydrophobicContact CB-CD1 3.56Å
456	E	98.7	Very high	96.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-55	-51.9	176.2	-172.1	-134.2	-179.5	0	0	110.5	Y443 D444 M447 G452 E453 F459 K460 L503 R532	Y443-E456 WeakPolarHBondContact CA-OE2 3.41Å; D444-E456 PolarHBondContact N-OE1 3.32Å; D444-E456 PolarHBondContact N-OE2 3.14Å; D444-E456 VanDerWaalsContact N-OE2 3.14Å; M447-E456 HydrophobicContact CE-CB 4.05Å; M447-E456 HydrophobicContact CE-CG 4.25Å; G452-E456 PolarHBondContact O-N 3.46Å; E453-E456 PolarHBondContact O-N 3.46Å; E456-F459 PolarHBondContact O-N 3.36Å; E456-K460 HydrophobicContact CG-CD 4.43Å; E456-K460 WeakPolarHBondContact O-CB 3.05Å; E456-K460 VanDerWaalsContact O-CG 3.31Å; E456-K460 WeakPolarHBondContact O-CG 3.41Å; E456-K460 PolarHBondContact O-N 3.1Å; E456-K460 WeakPolarHBondContact OE1-CE 3.2Å; E456-K460 IonicContact OE1-NZ 2.86Å; E456-K460 PolarHBondContact OE1-NZ 2.92Å; E456-K460 IonicContact OE2-NZ 3.84Å; E456-K460 PolarHBondContact OE2-NZ 2.04Å; E456-L503 HydrophobicContact CB-CD1 4.16Å; E456-R532 IonicContact OE1-CZ 3.96Å; E456-R532 IonicContact OE1-NE 2.73Å; E456-R532 IonicContact OE1-NH2 3.63Å; E456-R532 PolarHBondContact OE1-NH2 3.42Å
457	L	98.7	Very high	96.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.1	-37.5	179.6	-176.1	61.8	0	0	0	111.8	M425 F430 F437 L440 Y443 E453 L455 F459 K460 V461	M425-L457 HydrophobicContact CE-CB 3.58Å; M425-L457 HydrophobicContact CE-CD2 3.5Å; M425-L457 HydrophobicContact CE-CG 3.43Å; M425-L457 VanDerWaalsContact CE-CG 3.43Å; F430-L457 HydrophobicContact CE2-CD2 3.74Å; F430-L457 HydrophobicContact CZ-CD2 3.88Å; F437-L457 HydrophobicContact CD2-CD1 4.47Å; F437-L457 HydrophobicContact CE2-CD2 4.25Å; L440-L457 HydrophobicContact CD1-CD1 3.86Å; Y443-L457 HydrophobicContact CD1-CB 4.32Å; Y443-L457 HydrophobicContact CE1-CB 3.87Å; Y443-L457 HydrophobicContact CE1-CD2 3.76Å; Y443-L457 HydrophobicContact CE1-CG 4.41Å; E453-L457 WeakPolarHBondContact O-CB 3.49Å; E453-L457 PolarHBondContact O-N 3.41Å; L455-L457 PolarHBondContact O-N 3.07Å; L457-F459 PolarHBondContact O-N 3.07Å; L457-K460 PolarHBondContact O-N 3.27Å; L457-V461 HydrophobicContact CD1-CG2 4.26Å; L457-V461 HydrophobicContact CG-CG2 4.38Å; L457-V461 WeakPolarHBondContact O-CG2 3.42Å; L457-V461 PolarHBondContact O-N 3.26Å
458	S	98.8	Very high	96.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.2	-48.6	174	-61.9	0	0	0	0	112.3	T424 M425 N454 L455 V461 W462	T424-S458 VanDerWaalsContact CA-OG 3.32Å; T424-S458 WeakPolarHBondContact CA-OG 3.22Å; M425-S458 PolarHBondContact N-OG 3.19Å; N454-S458 WeakPolarHBondContact O-CB 3.32Å; N454-S458 PolarHBondContact O-N 2.99Å; N454-S458 VanDerWaalsContact O-N 3.07Å; N454-S458 PolarHBondContact O-OG 3Å; L455-S458 WeakPolarHBondContact O-CB 3.49Å; L455-S458 PolarHBondContact O-N 2.83Å; S458-V461 PolarHBondContact O-N 3.11Å; S458-W462 PolarHBondContact O-N 3.04Å
459	F	98.8	Very high	97	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.3	-43.7	179.7	-60	-24	0	0	0	111.1	F394 T424 L455 E456 L457 V461 W462 M463 L503 W507 L508 F544 Y547	F394-F459 HydrophobicContact CD1-CE1 4.15Å; F394-F459 HydrophobicContact CD1-CZ 4.22Å; F394-F459 HydrophobicContact CD2-CZ 4.46Å; F394-F459 AromaticContact CE1-CE1 3.9Å; F394-F459 HydrophobicContact CE1-CE1 3.9Å; F394-F459 HydrophobicContact CE1-CZ 4.06Å; F394-F459 HydrophobicContact CE2-CZ 4.34Å; F394-F459 HydrophobicContact CG-CZ 4.45Å; F394-F459 HydrophobicContact CZ-CE1 4.36Å; F394-F459 HydrophobicContact CZ-CZ 4.16Å; T424-F459 HydrophobicContact CG2-CE1 4.23Å; L455-F459 HydrophobicContact CB-CE2 4.03Å; L455-F459 HydrophobicContact CB-CZ 4.1Å; L455-F459 HydrophobicContact CD2-CZ 4.41Å; L455-F459 VanDerWaalsContact O-CD2 3.29Å; L455-F459 WeakPolarHBondContact O-CD2 3.46Å; L455-F459 WeakPolarHBondContact O-CG 3.38Å; L455-F459 PolarHBondContact O-N 3.2Å; E456-F459 PolarHBondContact O-N 3.36Å; L457-F459 PolarHBondContact O-N 3.07Å; F459-V461 PolarHBondContact O-N 2.84Å; F459-W462 PolarHBondContact O-N 2.98Å; F459-M463 HydrophobicContact CB-SD 3.9Å; F459-M463 WeakPolarHBondContact O-CB 3.36Å; F459-M463 VanDerWaalsContact O-CG 3.23Å; F459-M463 WeakPolarHBondContact O-CG 3.35Å; F459-M463 PolarHBondContact O-N 2.83Å; F459-L503 HydrophobicContact CD2-CD1 4.44Å; F459-L503 HydrophobicContact CD2-CD2 4.26Å; F459-L503 HydrophobicContact CD2-CG 4.43Å; F459-L503 HydrophobicContact CE2-CD1 4.16Å; F459-L503 HydrophobicContact CE2-CD2 3.75Å; F459-L503 HydrophobicContact CE2-CG 4.28Å; F459-W507 HydrophobicContact CD2-CB 4.19Å; F459-L508 HydrophobicContact CD2-CD2 4.27Å; F459-L508 HydrophobicContact CE2-CD2 3.73Å; F459-L508 HydrophobicContact CZ-CD2 4.28Å; F459-F544 HydrophobicContact CD1-CE2 4.04Å; F459-F544 HydrophobicContact CD2-CE2 4.26Å; F459-F544 AromaticContact CE1-CE2 3.99Å; F459-F544 HydrophobicContact CE1-CE2 3.99Å; F459-F544 HydrophobicContact CE1-CZ 4.41Å; F459-F544 HydrophobicContact CE2-CE2 4.2Å; F459-F544 HydrophobicContact CG-CE2 4.19Å; F459-F544 HydrophobicContact CZ-CE2 4.08Å; F459-F544 HydrophobicContact CZ-CZ 4.3Å; F459-Y547 HydrophobicContact CD1-CE1 4.01Å; F459-Y547 HydrophobicContact CD1-CE2 4.16Å; F459-Y547 AromaticContact CD1-CZ 3.76Å; F459-Y547 AromaticContact CE1-CE1 3.88Å; F459-Y547 HydrophobicContact CE1-CE1 3.88Å; F459-Y547 AromaticContact CE1-CZ 3.82Å
460	K	98.6	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.5	-47.6	175.5	-76.9	-171	-53.9	-170.1	0	113	L440 K442 E456 L457 W462 C464 W507	L440-K460 HydrophobicContact CD1-CB 4.38Å; L440-K460 HydrophobicContact CD2-CB 4.3Å; L440-K460 WeakPolarHBondContact O-CD 3.43Å; L440-K460 PolarHBondContact O-NZ 3.08Å; L440-K460 VanDerWaalsContact O-NZ 3.14Å; K442-K460 PolarHBondContact O-NZ 3.27Å; E456-K460 HydrophobicContact CG-CD 4.43Å; E456-K460 WeakPolarHBondContact O-CB 3.05Å; E456-K460 VanDerWaalsContact O-CG 3.31Å; E456-K460 WeakPolarHBondContact O-CG 3.41Å; E456-K460 PolarHBondContact O-N 3.1Å; E456-K460 WeakPolarHBondContact OE1-CE 3.2Å; E456-K460 IonicContact OE1-NZ 2.86Å; E456-K460 PolarHBondContact OE1-NZ 2.92Å; E456-K460 IonicContact OE2-NZ 3.84Å; E456-K460 PolarHBondContact OE2-NZ 2.04Å; L457-K460 PolarHBondContact O-N 3.27Å; K460-W462 PolarHBondContact O-N 2.91Å; K460-C464 WeakPolarHBondContact O-CA 3.33Å; K460-C464 WeakPolarHBondContact O-CB 3.02Å; K460-C464 PolarHBondContact O-N 3.46Å; K460-C464 PolarHBondContact O-SG 3.43Å; K460-W507 HydrophobicContact CD-CH2 3.88Å; K460-W507 HydrophobicContact CD-CZ2 3.42Å; K460-W507 VanDerWaalsContact CD-CZ2 3.42Å; K460-W507 HydrophobicContact CG-CD2 4.18Å; K460-W507 HydrophobicContact CG-CE3 4.21Å; K460-W507 HydrophobicContact CG-CH2 3.4Å; K460-W507 HydrophobicContact CG-CZ2 3.3Å; K460-W507 HydrophobicContact CG-CZ3 3.83Å
461	V	98.7	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-54.8	-54.1	179.4	169.4	0	0	0	0	109.8	V366 Y436 L440 L457 S458 F459 G466 I467 L468	V366-V461 HydrophobicContact CB-CG1 4.31Å; V366-V461 HydrophobicContact CB-CG2 4.14Å; V366-V461 HydrophobicContact CG2-CB 4.43Å; V366-V461 HydrophobicContact CG2-CG1 4.01Å; V366-V461 HydrophobicContact CG2-CG2 3.46Å; V366-V461 VanDerWaalsContact CG2-CG2 3.46Å; Y436-V461 HydrophobicContact CE1-CG2 4.44Å; L440-V461 HydrophobicContact CD1-CG2 3.7Å; L457-V461 HydrophobicContact CD1-CG2 4.26Å; L457-V461 HydrophobicContact CG-CG2 4.38Å; L457-V461 WeakPolarHBondContact O-CG2 3.42Å; L457-V461 PolarHBondContact O-N 3.26Å; S458-V461 PolarHBondContact O-N 3.11Å; F459-V461 PolarHBondContact O-N 2.84Å; V461-G466 CarbonylContact O-C 3.47Å; V461-G466 WeakPolarHBondContact O-CA 3.41Å; V461-G466 PolarHBondContact O-N 2.88Å; V461-I467 VanDerWaalsContact CG1-C 3.46Å; V461-I467 WeakPolarHBondContact CG1-O 3.48Å; V461-L468 HydrophobicContact CG1-CB 4.11Å
462	W	98.7	Very high	98.1	Very high	9 Å²	9	9.1 Å²	9.1	3%	0.034	7%	0.066	C	C	.	.	H	α-helix	trans	-69.4	-47.6	-178	-78.5	115.1	0	0	0	113.9	R421 S422 S458 F459 K460 C464 I467 L468 W546 Y547 I551	R421-W462 HydrophobicContact CB-CH2 4.4Å; R421-W462 HydrophobicContact CB-CZ2 4.33Å; R421-W462 HydrophobicContact CG-CH2 4.24Å; S422-W462 PolarHBondContact O-NE1 3.4Å; S458-W462 PolarHBondContact O-N 3.04Å; F459-W462 PolarHBondContact O-N 2.98Å; K460-W462 PolarHBondContact O-N 2.91Å; W462-C464 VanDerWaalsContact C-N 3.3Å; W462-C464 PolarHBondContact O-N 3.33Å; W462-I467 HydrophobicContact CH2-CB 4.18Å; W462-I467 HydrophobicContact CH2-CG2 3.57Å; W462-I467 HydrophobicContact CZ2-CG2 4.3Å; W462-I467 HydrophobicContact CZ3-CB 4.19Å; W462-I467 HydrophobicContact CZ3-CG1 4.13Å; W462-I467 HydrophobicContact CZ3-CG2 4.05Å; W462-L468 HydrophobicContact CZ2-CB 4.26Å; W462-L468 WeakPolarHBondContact CZ2-O 3.44Å; W462-W546 WeakPolarHBondContact O-CZ3 3.39Å; W462-Y547 HydrophobicContact CB-CD2 3.77Å; W462-Y547 HydrophobicContact CB-CE2 4.02Å; W462-Y547 AromaticContact CD1-CE2 3.76Å; W462-Y547 HydrophobicContact CG-CD2 4.22Å; W462-Y547 HydrophobicContact CG-CE2 4.05Å; W462-I551 HydrophobicContact CB-CG1 4.23Å; W462-I551 HydrophobicContact CD2-CB 4.44Å; W462-I551 HydrophobicContact CD2-CD1 3.84Å; W462-I551 HydrophobicContact CD2-CG1 4.02Å; W462-I551 HydrophobicContact CD2-CG2 3.58Å; W462-I551 VanDerWaalsContact CE2-CG2 3.49Å; W462-I551 HydrophobicContact CE3-CD1 3.38Å; W462-I551 HydrophobicContact CE3-CG1 4.05Å; W462-I551 HydrophobicContact CE3-CG2 4.25Å; W462-I551 HydrophobicContact CG-CD1 4.46Å; W462-I551 HydrophobicContact CG-CG1 4.14Å; W462-I551 HydrophobicContact CG-CG2 3.73Å; W462-I551 HydrophobicContact CH2-CD1 4.48Å; W462-I551 HydrophobicContact CZ2-CG2 4.08Å; W462-I551 HydrophobicContact CZ3-CD1 3.76Å
463	M	98.8	Very high	98.2	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-72.7	-26.1	-173.7	-65.2	164.4	64.9	0	0	111.8	F459 W507 R536 C541 R542 F544	F459-M463 HydrophobicContact CB-SD 3.9Å; F459-M463 WeakPolarHBondContact O-CB 3.36Å; F459-M463 VanDerWaalsContact O-CG 3.23Å; F459-M463 WeakPolarHBondContact O-CG 3.35Å; F459-M463 PolarHBondContact O-N 2.83Å; M463-W507 HydrophobicContact CE-CE3 3.98Å; M463-W507 HydrophobicContact CE-CZ3 4.5Å; M463-W507 HydrophobicContact SD-CE3 4.19Å; M463-R536 VanDerWaalsContact CE-NH2 3.32Å; M463-C541 HydrophobicContact CB-CB 4.13Å; M463-C541 CarbonylContact O-C 3.53Å; M463-C541 WeakPolarHBondContact O-CA 3.3Å; M463-C541 WeakPolarHBondContact O-CB 3.46Å; M463-R542 WeakPolarHBondContact CE-O 3.45Å; M463-R542 PolarHBondContact O-N 3.05Å; M463-F544 HydrophobicContact CE-CB 4.35Å; M463-F544 HydrophobicContact CE-CD2 4.48Å; M463-F544 HydrophobicContact SD-CD2 3.98Å
464	C	98.6	Very high	98.2	Very high	14 Å²	14	8.9 Å²	8.9	10%	0.095	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	31.1	-175.6	-44.2	0	0	0	0	112.6	L440 K460 W462 L539 C541	L440-C464 HydrophobicContact CD2-CB 3.84Å; K460-C464 WeakPolarHBondContact O-CA 3.33Å; K460-C464 WeakPolarHBondContact O-CB 3.02Å; K460-C464 PolarHBondContact O-N 3.46Å; K460-C464 PolarHBondContact O-SG 3.43Å; W462-C464 VanDerWaalsContact C-N 3.3Å; W462-C464 PolarHBondContact O-N 3.33Å; C464-L539 HydrophobicContact CB-CB 4.48Å; C464-L539 HydrophobicContact CB-CD1 4.42Å; C464-C541 HydrophobicContact CB-CB 4.09Å; C464-C541 WeakPolarHBondContact CB-SG 3.29Å; C464-C541 WeakPolarHBondContact SG-CB 3.28Å; C464-C541 CovalentContact SG-SG 2.04Å; C464-C541 PolarHBondContact SG-SG 3.12Å
465	G	97.3	Very high	98.2	Very high	65 Å²	65	8.7 Å²	8.7	67%	0.67	6%	0.063	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	6.5	163.7	0	0	0	0	0	117
466	G	98.4	Very high	98.2	Very high	5 Å²	5	8.7 Å²	8.7	5%	0.052	6%	0.063	C	C	.	.			trans	-99.3	-174.9	174.8	0	0	0	0	0	113.8	S364 Y436 V461	S364-G466 WeakPolarHBondContact O-CA 3.28Å; Y436-G466 WeakPolarHBondContact OH-CA 3.15Å; Y436-G466 PolarHBondContact OH-N 2.77Å; Y436-G466 VanDerWaalsContact OH-N 3.08Å; V461-G466 CarbonylContact O-C 3.47Å; V461-G466 WeakPolarHBondContact O-CA 3.41Å; V461-G466 PolarHBondContact O-N 2.88Å
467	I	98.4	Very high	98.2	Very high	37 Å²	37	8.6 Å²	8.6	19%	0.19	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.6	-179.6	-58.2	178.9	0	0	0	107.9	S364 I365 V366 V461 W462 E469	S364-I467 PolarHBondContact O-N 3.21Å; I365-I467 CarbonylContact C-O 3.46Å; I365-I467 WeakPolarHBondContact CA-O 3.39Å; I365-I467 HydrophobicContact CG1-CB 4.25Å; V366-I467 PolarHBondContact N-O 2.77Å; V461-I467 VanDerWaalsContact CG1-C 3.46Å; V461-I467 WeakPolarHBondContact CG1-O 3.48Å; W462-I467 HydrophobicContact CH2-CB 4.18Å; W462-I467 HydrophobicContact CH2-CG2 3.57Å; W462-I467 HydrophobicContact CZ2-CG2 4.3Å; W462-I467 HydrophobicContact CZ3-CB 4.19Å; W462-I467 HydrophobicContact CZ3-CG1 4.13Å; W462-I467 HydrophobicContact CZ3-CG2 4.05Å; I467-E469 HydrophobicContact CG2-CG 3.72Å
468	L	98.7	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	172.3	-178.4	62.4	0	0	0	110.1	V366 V368 S422 T424 M425 V461 W462	V366-L468 HydrophobicContact CB-CD1 3.93Å; V366-L468 HydrophobicContact CG1-CD1 3.81Å; V366-L468 WeakPolarHBondContact O-CA 3.43Å; V368-L468 HydrophobicContact CG1-CD1 4.27Å; S422-L468 PolarHBondContact N-O 3.07Å; T424-L468 VanDerWaalsContact C-CD2 3.44Å; M425-L468 HydrophobicContact CB-CD1 4.49Å; M425-L468 HydrophobicContact CB-CD2 4.11Å; M425-L468 HydrophobicContact CG-CD2 4.39Å; M425-L468 HydrophobicContact SD-CD1 4.43Å; V461-L468 HydrophobicContact CG1-CB 4.11Å; W462-L468 HydrophobicContact CZ2-CB 4.26Å; W462-L468 WeakPolarHBondContact CZ2-O 3.44Å
469	E	98.3	Very high	98.1	Very high	15 Å²	15	9.7 Å²	9.7	7%	0.07	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.3	-177.2	-59	-179.9	160.7	0	0	112.3	R358 I365 V366 V367 V368 P419 V420 I467	R358-E469 IonicContact CZ-OE1 3.29Å; R358-E469 IonicContact CZ-OE2 2.76Å; R358-E469 IonicContact NE-OE1 3.88Å; R358-E469 IonicContact NE-OE2 2.67Å; R358-E469 PolarHBondContact NE-OE2 2.92Å; R358-E469 IonicContact NH2-OE1 2.82Å; R358-E469 PolarHBondContact NH2-OE1 3.12Å; R358-E469 IonicContact NH2-OE2 3.19Å; R358-E469 PolarHBondContact NH2-OE2 2.86Å; R358-E469 VanDerWaalsContact NH2-OE2 3.13Å; I365-E469 HydrophobicContact CG2-CG 4.21Å; V366-E469 PolarHBondContact O-N 2.79Å; V367-E469 CarbonylContact C-O 3.16Å; V367-E469 VanDerWaalsContact CA-O 3.31Å; V367-E469 WeakPolarHBondContact CA-O 3.45Å; V367-E469 HydrophobicContact CG1-CB 4.4Å; V368-E469 PolarHBondContact N-O 2.81Å; P419-E469 HydrophobicContact CB-CB 4.09Å; P419-E469 HydrophobicContact CB-CG 4.45Å; P419-E469 WeakPolarHBondContact CB-OE2 3.36Å; V420-E469 CarbonylContact O-C 3.57Å; V420-E469 WeakPolarHBondContact O-CA 3.37Å; I467-E469 HydrophobicContact CG2-CG 3.72Å
470	T	97.9	Very high	97.7	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.1	161.6	-59.5	0	0	0	0	108.8	V368 V370 V389 P419 V420 V472	V368-T470 HydrophobicContact CG2-CG2 4.18Å; V368-T470 VanDerWaalsContact CG2-OG1 3.31Å; V368-T470 WeakPolarHBondContact CG2-OG1 3.29Å; V368-T470 WeakPolarHBondContact O-CA 3.44Å; V370-T470 HydrophobicContact CG2-CG2 4.06Å; V389-T470 HydrophobicContact CG1-CG2 3.85Å; P419-T470 CarbonylContact C-O 3.46Å; P419-T470 WeakPolarHBondContact CA-O 3.4Å; V420-T470 PolarHBondContact N-O 3.15Å; V420-T470 PolarHBondContact O-N 3.46Å; T470-V472 PolarHBondContact O-N 3.3Å
471	V	97.7	Very high	97.3	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	99.7	-175.6	-177.1	0	0	0	0	109.7	P354 L355 R358 V367 V368 P419 C473 S474	P354-V471 HydrophobicContact CB-CG1 3.7Å; L355-V471 HydrophobicContact CD2-CB 3.85Å; L355-V471 HydrophobicContact CD2-CG1 4.4Å; L355-V471 HydrophobicContact CD2-CG2 3.95Å; R358-V471 HydrophobicContact CG-CG2 4.09Å; V367-V471 HydrophobicContact CB-CG2 3.7Å; V367-V471 HydrophobicContact CG1-CG2 3.66Å; V368-V471 PolarHBondContact O-N 3.06Å; P419-V471 HydrophobicContact CB-CG2 4.41Å; V471-C473 PolarHBondContact O-N 3.02Å; V471-C473 VanDerWaalsContact O-N 3.15Å; V471-S474 PolarHBondContact O-N 3.2Å
472	V	96.9	Very high	96.5	Very high	9 Å²	9	17.2 Å²	17.2	6%	0.055	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-34.9	-173.3	177.5	0	0	0	0	113.3	A386 V389 V420 T470 S474	A386-V472 HydrophobicContact CB-CG1 3.77Å; V389-V472 HydrophobicContact CG1-CG2 4.41Å; V389-V472 HydrophobicContact CG2-CG1 4.22Å; V389-V472 HydrophobicContact CG2-CG2 4.36Å; V420-V472 HydrophobicContact CG2-CG2 3.77Å; T470-V472 PolarHBondContact O-N 3.3Å; V472-S474 VanDerWaalsContact C-N 3.25Å; V472-S474 PolarHBondContact O-N 2.93Å
473	C	97.3	Very high	96	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-8	178.9	-61.4	0	0	0	0	114.8	C240 P354 V471	C240-C473 VanDerWaalsContact CA-SG 3.51Å; C240-C473 HydrophobicContact CB-CB 3.56Å; C240-C473 WeakPolarHBondContact CB-SG 3.19Å; C240-C473 WeakPolarHBondContact SG-CA 3.24Å; C240-C473 WeakPolarHBondContact SG-CB 3.35Å; C240-C473 CovalentContact SG-SG 2.04Å; C240-C473 PolarHBondContact SG-SG 2.98Å; P354-C473 HydrophobicContact CB-CB 4.11Å; P354-C473 HydrophobicContact CG-CB 4.33Å; V471-C473 PolarHBondContact O-N 3.02Å; V471-C473 VanDerWaalsContact O-N 3.15Å
474	S	97.8	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	178	-176.9	0	0	0	0	109.7	W351 L355 P369 V370 V471 V472	W351-S474 VanDerWaalsContact O-CB 3.31Å; W351-S474 WeakPolarHBondContact O-CB 3.39Å; W351-S474 PolarHBondContact O-OG 2.85Å; L355-S474 WeakPolarHBondContact CG-OG 3.37Å; P369-S474 WeakPolarHBondContact CB-OG 3.47Å; V370-S474 PolarHBondContact N-O 3.27Å; V471-S474 PolarHBondContact O-N 3.2Å; V472-S474 VanDerWaalsContact C-N 3.25Å; V472-S474 PolarHBondContact O-N 2.93Å
475	L	97.1	Very high	94.8	Very high	11 Å²	11	25 Å²	25	6%	0.058	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.4	176.2	-65.7	95.2	0	0	0	110.9	T348 V370 F383	T348-L475 HydrophobicContact CG2-CB 4.18Å; T348-L475 PolarHBondContact N-O 3.46Å; T348-L475 PolarHBondContact OG1-O 2.99Å; V370-L475 HydrophobicContact CB-CG 4.3Å; V370-L475 WeakPolarHBondContact O-CA 3.13Å; F383-L475 HydrophobicContact CB-CD2 4.39Å
476	V	98.4	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.6	171.5	-178.1	0	0	0	0	108.1	I345 W351 P369 V370 I371 S372 L429	I345-V476 HydrophobicContact CB-CG1 3.89Å; I345-V476 HydrophobicContact CD1-CG1 4.44Å; I345-V476 HydrophobicContact CG2-CG1 4.31Å; W351-V476 HydrophobicContact CD2-CG2 4.29Å; W351-V476 HydrophobicContact CE3-CG2 3.61Å; W351-V476 HydrophobicContact CZ3-CG2 4.23Å; P369-V476 HydrophobicContact CB-CB 4.39Å; P369-V476 HydrophobicContact CB-CG2 3.85Å; P369-V476 HydrophobicContact CG-CB 4.27Å; P369-V476 HydrophobicContact CG-CG2 3.91Å; V370-V476 PolarHBondContact O-N 3.31Å; I371-V476 WeakPolarHBondContact CA-O 3.36Å; S372-V476 PolarHBondContact N-O 3Å; L429-V476 HydrophobicContact CD2-CB 3.69Å; L429-V476 HydrophobicContact CD2-CG1 3.44Å; L429-V476 VanDerWaalsContact CD2-CG1 3.44Å; L429-V476 HydrophobicContact CD2-CG2 4.45Å
477	G	98	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.3	172.1	0	0	0	0	0	111.1	I345 E346 S372	I345-G477 CarbonylContact C-O 3.57Å; I345-G477 WeakPolarHBondContact CA-O 3.49Å; I345-G477 WeakPolarHBondContact CB-O 3.2Å; E346-G477 PolarHBondContact N-O 2.96Å; E346-G477 PolarHBondContact O-N 3.26Å; S372-G477 CarbonylContact O-C 3.58Å; S372-G477 WeakPolarHBondContact O-CA 3.34Å
478	H	98.3	Very high	92.3	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.093	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.8	179.1	178.7	-90.3	0	0	0	110.4	D342 H344 I345 I371 S372 I374 F480	D342-H478 IonicContact OD2-CD2 3.08Å; D342-H478 IonicContact OD2-CE1 2.65Å; D342-H478 IonicContact OD2-NE2 3.83Å; D342-H478 PolarHBondContact OD2-NE2 3.42Å; H344-H478 AromaticContact CD2-CD2 3.82Å; H344-H478 AromaticContact CD2-CE1 3.73Å; H344-H478 AromaticContact CD2-NE2 3.37Å; H344-H478 PolarHBondContact CD2-NE2 2.86Å; H344-H478 AromaticContact NE2-CE1 3.59Å; H344-H478 AromaticContact NE2-NE2 3.16Å; H344-H478 PolarHBondContact NE2-NE2 3.05Å; H344-H478 VanDerWaalsContact NE2-NE2 3.16Å; I345-H478 HydrophobicContact CG2-CB 4.47Å; I371-H478 HydrophobicContact CG2-CB 3.58Å; S372-H478 PolarHBondContact O-N 2.9Å; I374-H478 PolarHBondContact N-O 2.86Å; H478-F480 HydrophobicContact CB-CE2 4.16Å; H478-F480 AromaticContact ND1-CD1 3.98Å; H478-F480 AromaticContact ND1-CD2 3.84Å; H478-F480 AromaticContact ND1-CE2 3.91Å; H478-F480 AromaticContact ND1-CG 3.89Å; H478-F480 WeakPolarHBondContact O-CD2 3.42Å; H478-F480 PolarHBondContact O-N 2.76Å
479	I	97.8	Very high	91.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	101.3	174.9	-55.7	177.2	0	0	0	109.3	Y218 V265 H344 I374 D376 L379	Y218-I479 HydrophobicContact CD1-CG2 3.97Å; Y218-I479 HydrophobicContact CG-CG2 3.96Å; V265-I479 HydrophobicContact CG1-CD1 4.06Å; V265-I479 HydrophobicContact CG2-CD1 4.37Å; H344-I479 HydrophobicContact CB-CB 4.18Å; H344-I479 HydrophobicContact CB-CD1 4.07Å; H344-I479 HydrophobicContact CB-CG1 4.25Å; H344-I479 PolarHBondContact CD2-O 3.4Å; H344-I479 PolarHBondContact O-N 3.34Å; I374-I479 HydrophobicContact CB-CG1 3.86Å; I374-I479 HydrophobicContact CD1-CG1 4.26Å; I374-I479 HydrophobicContact CG2-CG1 3.77Å; D376-I479 HydrophobicContact CB-CG2 4.38Å; L379-I479 HydrophobicContact CD1-CD1 3.64Å; L379-I479 HydrophobicContact CD1-CG1 4.16Å
480	F	90.7	Very high	90.4	Very high	30 Å²	30	44.1 Å²	44.1	13%	0.132	23%	0.228	C	C	.	.			trans	-77.2	125	173.6	-74	-87.4	0	0	0	110.7	L123 P124 I371 T373 H478	L123-F480 HydrophobicContact CD2-CE2 3.88Å; L123-F480 HydrophobicContact CD2-CZ 3.99Å; P124-F480 HydrophobicContact CG-CB 3.94Å; P124-F480 HydrophobicContact CG-CD1 3.41Å; P124-F480 VanDerWaalsContact CG-CD1 3.41Å; P124-F480 HydrophobicContact CG-CD2 4.5Å; P124-F480 HydrophobicContact CG-CE1 3.97Å; P124-F480 HydrophobicContact CG-CG 3.7Å; I371-F480 HydrophobicContact CG2-CE2 3.84Å; I371-F480 HydrophobicContact CG2-CZ 3.66Å; T373-F480 HydrophobicContact CG2-CD2 4.03Å; H478-F480 HydrophobicContact CB-CE2 4.16Å; H478-F480 AromaticContact ND1-CD1 3.98Å; H478-F480 AromaticContact ND1-CD2 3.84Å; H478-F480 AromaticContact ND1-CE2 3.91Å; H478-F480 AromaticContact ND1-CG 3.89Å; H478-F480 WeakPolarHBondContact O-CD2 3.42Å; H478-F480 PolarHBondContact O-N 2.76Å
481	R	89.6	Confident	89.6	Confident	50 Å²	50	52.2 Å²	52.2	19%	0.189	27%	0.271	C	S	.	.			trans	-103.5	141.6	-175.3	-54.7	172.3	-172.3	171.5	-10.3	110.4	A217 Y218 E261 H344 R483 Y486	A217-R481 HydrophobicContact CB-CB 4.33Å; Y218-R481 HydrophobicContact CD1-CG 4.17Å; E261-R481 IonicContact OE1-NH2 3.22Å; E261-R481 IonicContact OE2-NH2 3.4Å; E261-R481 PolarHBondContact OE2-NH2 3.43Å; E261-R481 VanDerWaalsContact OE2-NH2 3.08Å; H344-R481 VanDerWaalsContact CE1-CZ 3.49Å; H344-R481 PolarHBondContact CE1-NH2 3.09Å; H344-R481 VanDerWaalsContact CG-NH2 3.35Å; H344-R481 PolarHBondContact ND1-NH2 3.47Å; R481-R483 VanDerWaalsContact C-N 3.26Å; R481-R483 WeakPolarHBondContact CB-O 3.29Å; R481-R483 PolarHBondContact O-N 2.91Å; R481-Y486 PolarHBondContact NH1-OH 3.47Å
482	G	82.2	Confident	88.8	Confident	78 Å²	78	53.3 Å²	53.3	80%	0.804	28%	0.277	S	S	*	.	S	Bend	trans	-70.7	-18.8	173	0	0	0	0	0	114.6
483	R	88.3	Confident	88.1	Confident	124 Å²	124	62.7 Å²	62.7	47%	0.468	32%	0.318	S	S	.	.	S	Bend	trans	-149.7	157.6	175.7	66.2	176.1	-179	84.3	5.6	111.3	W213 E214 A217 R481	W213-R483 PolarHBondContact O-NH2 2.87Å; E214-R483 PolarHBondContact O-NH2 2.87Å; A217-R483 HydrophobicContact CB-CG 3.67Å; A217-R483 VanDerWaalsContact CB-O 3.29Å; A217-R483 WeakPolarHBondContact CB-O 3.49Å; R481-R483 VanDerWaalsContact C-N 3.26Å; R481-R483 WeakPolarHBondContact CB-O 3.29Å; R481-R483 PolarHBondContact O-N 2.91Å
484	S	85.8	Confident	87.7	Confident	39 Å²	39	64.3 Å²	64.3	27%	0.273	33%	0.326	S	S	.	.			trans	-83.4	127.8	167.9	-175.6	0	0	0	0	110.2	Y486	S484-Y486 VanDerWaalsContact C-N 3.3Å; S484-Y486 VanDerWaalsContact OG-CD2 3.31Å; S484-Y486 WeakPolarHBondContact OG-CD2 3.39Å
485	P	85.4	Confident	87.5	Confident	27 Å²	27	65.3 Å²	65.3	18%	0.175	33%	0.332	C	S	.	.			trans	-85.3	1.5	178.3	34.8	-36	0	0	0	113.5	A217	A217-P485 HydrophobicContact CB-CB 4.46Å
486	Y	84.8	Confident	87.2	Confident	57 Å²	57	66.9 Å²	66.9	22%	0.224	34%	0.341	C	S	.	.			trans	-87	135.8	-171.1	-52.5	-51.4	0	0	0	112.7	H259 R481 S484 W488	H259-Y486 AromaticContact CD2-CD1 3.95Å; H259-Y486 WeakPolarHBondContact O-CE1 3.32Å; R481-Y486 PolarHBondContact NH1-OH 3.47Å; S484-Y486 VanDerWaalsContact C-N 3.3Å; S484-Y486 VanDerWaalsContact OG-CD2 3.31Å; S484-Y486 WeakPolarHBondContact OG-CD2 3.39Å; Y486-W488 HydrophobicContact CD2-CZ2 4.04Å; Y486-W488 HydrophobicContact CG-CZ2 4.14Å
487	K	80.1	Confident	87	Confident	193 Å²	193	69.5 Å²	69.5	84%	0.839	35%	0.352	S	S	*	.			trans	-97.3	140.2	168	-61.1	-174.8	-178.8	-173	0	109.6
488	W	78.4	Confident	86.9	Confident	72 Å²	72	71.2 Å²	71.2	27%	0.273	36%	0.358	S	S	.	.			trans	-124.4	131.7	-178.6	-56.1	108.4	0	0	0	110.3	R319 I449 W450 Y486	R319-W488 HydrophobicContact CG-CE3 4.15Å; R319-W488 HydrophobicContact CG-CZ3 3.85Å; R319-W488 VanDerWaalsContact CZ-CH2 3.42Å; I449-W488 HydrophobicContact CB-CD2 4.38Å; I449-W488 HydrophobicContact CB-CE3 4.35Å; I449-W488 HydrophobicContact CB-CZ3 4.49Å; I449-W488 HydrophobicContact CD1-CB 3.46Å; I449-W488 VanDerWaalsContact CD1-CB 3.46Å; I449-W488 HydrophobicContact CD1-CD2 3.87Å; I449-W488 HydrophobicContact CD1-CE3 4.19Å; I449-W488 HydrophobicContact CD1-CG 3.55Å; I449-W488 HydrophobicContact CG1-CD2 4.23Å; I449-W488 HydrophobicContact CG1-CE3 4.11Å; I449-W488 HydrophobicContact CG1-CG 4.41Å; I449-W488 HydrophobicContact CG2-CD2 3.29Å; I449-W488 HydrophobicContact CG2-CE3 3.27Å; I449-W488 HydrophobicContact CG2-CG 4.06Å; I449-W488 HydrophobicContact CG2-CH2 3.19Å; I449-W488 HydrophobicContact CG2-CZ2 3.27Å; I449-W488 HydrophobicContact CG2-CZ3 3.22Å; W450-W488 AromaticContact CD1-CZ2 3.95Å; W450-W488 AromaticContact CD1-NE1 3.99Å; W450-W488 AromaticContact NE1-NE1 3.79Å; Y486-W488 HydrophobicContact CD2-CZ2 4.04Å; Y486-W488 HydrophobicContact CG-CZ2 4.14Å
489	N	76.8	Confident	86.9	Confident	157 Å²	157	70.2 Å²	70.2	84%	0.84	35%	0.354	S	S	*	.			trans	-117.4	87.5	173.9	-170.8	8.2	0	0	0	108
490	V	79.6	Confident	86.9	Confident	43 Å²	43	70.6 Å²	70.6	26%	0.261	36%	0.356	S	S	.	.			trans	-122.6	149.4	177.1	-64.7	0	0	0	0	109.4	I449 V492 P495	I449-V490 HydrophobicContact CD1-CB 4.41Å; I449-V490 HydrophobicContact CD1-CG1 3.77Å; I449-V490 HydrophobicContact CD1-CG2 3.7Å; I449-V490 HydrophobicContact CG1-CG1 3.71Å; I449-V490 HydrophobicContact CG1-CG2 4.4Å; V490-V492 HydrophobicContact CG2-CB 4.47Å; V490-V492 PolarHBondContact O-N 2.92Å; V490-P495 HydrophobicContact CG2-CB 4.21Å; V490-P495 HydrophobicContact CG2-CG 3.35Å
491	N	80.6	Confident	87.2	Confident	174 Å²	174	69.2 Å²	69.2	93%	0.93	35%	0.35	S	S	*	.	S	Bend	trans	-74.7	23	-177.9	-66.4	-21.2	0	0	0	113.4
492	V	81.6	Confident	87.6	Confident	27 Å²	27	67.3 Å²	67.3	16%	0.164	34%	0.343	C	S	.	.			trans	-124	121.4	-179.9	-179.4	0	0	0	0	107.6	E448 V490 D494 R498 I524	E448-V492 HydrophobicContact CG-CG2 4.13Å; V490-V492 HydrophobicContact CG2-CB 4.47Å; V490-V492 PolarHBondContact O-N 2.92Å; V492-D494 PolarHBondContact O-N 3.4Å; V492-R498 HydrophobicContact CG1-CB 3.93Å; V492-R498 HydrophobicContact CG1-CG 4.5Å; V492-I524 HydrophobicContact CG1-CD1 4.4Å
493	K	82.4	Confident	88.4	Confident	207 Å²	207	63.7 Å²	63.7	90%	0.9	31%	0.305	S	S	*	.	S	Bend	trans	-57.9	-34.9	-176.6	-175.6	177.6	178.8	179.2	0	113.2
494	D	88.9	Confident	88.9	Confident	39 Å²	39	57.8 Å²	57.8	21%	0.209	28%	0.282	C	S	.	.			trans	-140	85.6	-178.3	-173.5	-21.7	0	0	0	109	V492 L496 K497 R498 I524	V492-D494 PolarHBondContact O-N 3.4Å; D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.06Å; D494-K497 HydrophobicContact CB-CB 3.96Å; D494-K497 PolarHBondContact O-N 3.34Å; D494-K497 WeakPolarHBondContact OD1-CB 3.39Å; D494-K497 PolarHBondContact OD1-N 2.81Å; D494-K497 WeakPolarHBondContact OD2-CB 3.31Å; D494-K497 WeakPolarHBondContact OD2-CE 3.35Å; D494-K497 IonicContact OD2-NZ 2.96Å; D494-K497 PolarHBondContact OD2-NZ 3.47Å; D494-R498 PolarHBondContact O-N 3.19Å; D494-I524 HydrophobicContact CB-CD1 4.26Å; D494-I524 WeakPolarHBondContact O-CD1 3.21Å
495	P	92.1	Very high	89.4	Confident	22 Å²	22	57.1 Å²	57.1	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-37.7	-174.1	-25.9	37.5	0	0	0	112.6	E448 I449 V490 R498 N499	E448-P495 HydrophobicContact CB-CB 3.88Å; I449-P495 HydrophobicContact CD1-CB 3.79Å; I449-P495 HydrophobicContact CD1-CG 3.78Å; I449-P495 HydrophobicContact CG1-CB 4.49Å; V490-P495 HydrophobicContact CG2-CB 4.21Å; V490-P495 HydrophobicContact CG2-CG 3.35Å; P495-R498 WeakPolarHBondContact O-CB 3.26Å; P495-R498 PolarHBondContact O-N 2.9Å; P495-N499 VanDerWaalsContact O-CG 3.22Å; P495-N499 PolarHBondContact O-N 2.98Å; P495-N499 PolarHBondContact O-OD1 3.16Å; P495-N499 VanDerWaalsContact O-OD1 3.14Å
496	L	91.9	Very high	90.1	Very high	44 Å²	44	56 Å²	56	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-49.7	178.3	177.8	65.1	0	0	0	111.1	P128 D494 R498 N499 L500	P128-L496 HydrophobicContact CB-CD2 3.4Å; P128-L496 VanDerWaalsContact CB-CD2 3.4Å; P128-L496 HydrophobicContact CG-CD2 3.67Å; D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.06Å; L496-R498 PolarHBondContact O-N 3.17Å; L496-N499 PolarHBondContact O-N 3.13Å; L496-L500 HydrophobicContact CD1-CD1 4.06Å; L496-L500 HydrophobicContact CD1-CD2 4.43Å; L496-L500 HydrophobicContact CD1-CG 3.99Å; L496-L500 HydrophobicContact CG-CD1 3.95Å; L496-L500 HydrophobicContact CG-CG 4.24Å; L496-L500 WeakPolarHBondContact O-CG 3.12Å; L496-L500 PolarHBondContact O-N 3.14Å
497	K	94.1	Very high	90.7	Very high	55 Å²	55	53.4 Å²	53.4	24%	0.239	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-38.2	177.2	-178.9	178.1	-73.1	132.2	0	111.2	D494 L501 I524	D494-K497 HydrophobicContact CB-CB 3.96Å; D494-K497 PolarHBondContact O-N 3.34Å; D494-K497 WeakPolarHBondContact OD1-CB 3.39Å; D494-K497 PolarHBondContact OD1-N 2.81Å; D494-K497 WeakPolarHBondContact OD2-CB 3.31Å; D494-K497 WeakPolarHBondContact OD2-CE 3.35Å; D494-K497 IonicContact OD2-NZ 2.96Å; D494-K497 PolarHBondContact OD2-NZ 3.47Å; K497-L501 HydrophobicContact CG-CD1 3.95Å; K497-L501 HydrophobicContact CG-CG 4.37Å; K497-L501 WeakPolarHBondContact O-CB 3.42Å; K497-L501 WeakPolarHBondContact O-CG 3.2Å; K497-L501 PolarHBondContact O-N 2.98Å; K497-I524 HydrophobicContact CB-CD1 4.22Å; K497-I524 HydrophobicContact CD-CD1 4.36Å; K497-I524 HydrophobicContact CD-CG1 4.29Å; K497-I524 HydrophobicContact CD-CG2 4.23Å; K497-I524 HydrophobicContact CG-CD1 4.23Å; K497-I524 HydrophobicContact CG-CG1 4.24Å
498	R	95.9	Very high	91.6	Very high	35 Å²	35	44.2 Å²	44.2	13%	0.132	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-54.1	172.3	165.8	173.2	-175.2	100.3	-1.1	110.7	G446 V492 D494 P495 L496 L500 L501 R502 I524 D525 F526	G446-R498 PolarHBondContact O-NE 2.76Å; V492-R498 HydrophobicContact CG1-CB 3.93Å; V492-R498 HydrophobicContact CG1-CG 4.5Å; D494-R498 PolarHBondContact O-N 3.19Å; P495-R498 WeakPolarHBondContact O-CB 3.26Å; P495-R498 PolarHBondContact O-N 2.9Å; L496-R498 PolarHBondContact O-N 3.17Å; R498-L500 VanDerWaalsContact C-N 3.35Å; R498-L500 PolarHBondContact O-N 3.16Å; R498-L501 PolarHBondContact O-N 3.23Å; R498-R502 WeakPolarHBondContact O-CG 3.35Å; R498-R502 PolarHBondContact O-N 2.72Å; R498-I524 HydrophobicContact CB-CD1 4.01Å; R498-D525 PolarHBondContact NH1-O 2.75Å; R498-D525 VanDerWaalsContact NH1-O 3.08Å; R498-F526 HydrophobicContact CG-CB 4.27Å; R498-F526 VanDerWaalsContact CZ-O 3.29Å; R498-F526 PolarHBondContact NH1-O 2.67Å; R498-F526 PolarHBondContact NH2-O 3.05Å
499	N	97.4	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-45.9	-178.4	-63.8	-3.9	0	0	0	112.1	M447 E448 W450 G451 P495 L496 L501 R502 L503	M447-N499 WeakPolarHBondContact CA-OD1 3.21Å; M447-N499 HydrophobicContact CB-CB 4.34Å; M447-N499 WeakPolarHBondContact CB-OD1 3.3Å; M447-N499 HydrophobicContact CG-CB 3.97Å; M447-N499 HydrophobicContact SD-CB 4.25Å; E448-N499 PolarHBondContact N-OD1 2.88Å; E448-N499 PolarHBondContact O-ND2 3.18Å; W450-N499 PolarHBondContact O-ND2 3.2Å; G451-N499 VanDerWaalsContact O-CB 3.24Å; G451-N499 WeakPolarHBondContact O-CB 3.45Å; G451-N499 PolarHBondContact O-ND2 3.33Å; P495-N499 VanDerWaalsContact O-CG 3.22Å; P495-N499 PolarHBondContact O-N 2.98Å; P495-N499 PolarHBondContact O-OD1 3.16Å; P495-N499 VanDerWaalsContact O-OD1 3.14Å; L496-N499 PolarHBondContact O-N 3.13Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.89Å; N499-R502 WeakPolarHBondContact O-CB 3.28Å; N499-R502 PolarHBondContact O-N 2.63Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.1Å
500	L	97.6	Very high	93.4	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-35	-179.9	-66.3	-176.4	0	0	0	112.3	L398 L496 R498 A504 Y515	L398-L500 HydrophobicContact CB-CD1 4.28Å; L398-L500 HydrophobicContact CB-CD2 3.75Å; L398-L500 HydrophobicContact CB-CG 4.46Å; L398-L500 HydrophobicContact CD1-CB 4.19Å; L398-L500 HydrophobicContact CD1-CD2 4.35Å; L496-L500 HydrophobicContact CD1-CD1 4.06Å; L496-L500 HydrophobicContact CD1-CD2 4.43Å; L496-L500 HydrophobicContact CD1-CG 3.99Å; L496-L500 HydrophobicContact CG-CD1 3.95Å; L496-L500 HydrophobicContact CG-CG 4.24Å; L496-L500 WeakPolarHBondContact O-CG 3.12Å; L496-L500 PolarHBondContact O-N 3.14Å; R498-L500 VanDerWaalsContact C-N 3.35Å; R498-L500 PolarHBondContact O-N 3.16Å; L500-A504 WeakPolarHBondContact O-CB 3.46Å; L500-A504 PolarHBondContact O-N 3.02Å; L500-Y515 HydrophobicContact CB-CE1 3.91Å; L500-Y515 HydrophobicContact CB-CE2 4.11Å; L500-Y515 VanDerWaalsContact CB-CZ 3.5Å; L500-Y515 VanDerWaalsContact CB-OH 3.24Å; L500-Y515 WeakPolarHBondContact CB-OH 3.16Å; L500-Y515 HydrophobicContact CD1-CE2 4Å
501	L	97.6	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-42.1	171.7	-76.3	168.8	0	0	0	112	K497 R498 N499 A504 D505 Y515 Y516 I519 T523 I524 F526	K497-L501 HydrophobicContact CG-CD1 3.95Å; K497-L501 HydrophobicContact CG-CG 4.37Å; K497-L501 WeakPolarHBondContact O-CB 3.42Å; K497-L501 WeakPolarHBondContact O-CG 3.2Å; K497-L501 PolarHBondContact O-N 2.98Å; R498-L501 PolarHBondContact O-N 3.23Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.89Å; L501-A504 PolarHBondContact O-N 3.32Å; L501-D505 WeakPolarHBondContact O-CB 3.48Å; L501-D505 PolarHBondContact O-N 3.05Å; L501-Y515 HydrophobicContact CD2-CE1 3.91Å; L501-Y515 HydrophobicContact CG-CE1 4.1Å; L501-Y516 HydrophobicContact CD2-CD1 4.1Å; L501-Y516 HydrophobicContact CD2-CE1 3.57Å; L501-I519 HydrophobicContact CD2-CD1 3.83Å; L501-I519 HydrophobicContact CG-CD1 4.49Å; L501-T523 HydrophobicContact CD2-CG2 3.97Å; L501-I524 HydrophobicContact CD1-CG1 3.69Å; L501-F526 HydrophobicContact CB-CB 3.87Å; L501-F526 HydrophobicContact CB-CD1 3.75Å; L501-F526 HydrophobicContact CB-CG 3.91Å; L501-F526 HydrophobicContact CD1-CB 4.5Å; L501-F526 HydrophobicContact CD1-CD1 4.14Å; L501-F526 HydrophobicContact CG-CD1 4.44Å
502	R	98.2	Very high	95	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-48.5	174.6	-63.6	177.5	67.5	78.1	0.3	111.2	D444 R498 N499 A504 D505 V506 F526 D528 V529	D444-R502 IonicContact OD1-CZ 2.79Å; D444-R502 IonicContact OD1-NE 3.45Å; D444-R502 IonicContact OD1-NH2 3.66Å; D444-R502 PolarHBondContact OD1-NH2 3.41Å; D444-R502 IonicContact OD2-CZ 3.55Å; D444-R502 IonicContact OD2-NE 2.9Å; D444-R502 PolarHBondContact OD2-NE 3.05Å; D444-R502 IonicContact OD2-NH2 3.96Å; D444-R502 PolarHBondContact OD2-NH2 3.3Å; R498-R502 WeakPolarHBondContact O-CG 3.35Å; R498-R502 PolarHBondContact O-N 2.72Å; N499-R502 WeakPolarHBondContact O-CB 3.28Å; N499-R502 PolarHBondContact O-N 2.63Å; R502-A504 VanDerWaalsContact C-N 3.33Å; R502-A504 PolarHBondContact O-N 3.2Å; R502-D505 PolarHBondContact O-N 2.98Å; R502-V506 WeakPolarHBondContact O-CB 3.5Å; R502-V506 VanDerWaalsContact O-CG2 3.26Å; R502-V506 WeakPolarHBondContact O-CG2 3.38Å; R502-V506 PolarHBondContact O-N 2.96Å; R502-V506 VanDerWaalsContact O-N 3.1Å; R502-F526 WeakPolarHBondContact CD-O 3.44Å; R502-F526 HydrophobicContact CG-CB 3.89Å; R502-F526 HydrophobicContact CG-CD2 3.91Å; R502-F526 HydrophobicContact CG-CG 4.31Å; R502-F526 WeakPolarHBondContact CG-O 3.23Å; R502-F526 PolarHBondContact NH1-O 3.27Å; R502-D528 PolarHBondContact NH1-O 2.82Å; R502-D528 PolarHBondContact NH2-O 3.45Å; R502-V529 HydrophobicContact CB-CG1 4.12Å; R502-V529 HydrophobicContact CG-CG1 4Å
503	L	98.6	Very high	95.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-47.7	175.9	175.8	157	0	0	0	111	L398 M447 G452 L455 E456 F459 N499 D505 V506 W507 L508	L398-L503 HydrophobicContact CD1-CD2 3.87Å; L398-L503 HydrophobicContact CD2-CD2 4.42Å; M447-L503 HydrophobicContact CE-CB 4.07Å; G452-L503 VanDerWaalsContact O-CD1 3.22Å; G452-L503 WeakPolarHBondContact O-CD1 3.29Å; L455-L503 HydrophobicContact CB-CD1 3.56Å; E456-L503 HydrophobicContact CB-CD1 4.16Å; F459-L503 HydrophobicContact CD2-CD1 4.44Å; F459-L503 HydrophobicContact CD2-CD2 4.26Å; F459-L503 HydrophobicContact CD2-CG 4.43Å; F459-L503 HydrophobicContact CE2-CD1 4.16Å; F459-L503 HydrophobicContact CE2-CD2 3.75Å; F459-L503 HydrophobicContact CE2-CG 4.28Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.1Å; L503-D505 PolarHBondContact O-N 3.13Å; L503-V506 PolarHBondContact O-N 3.27Å; L503-W507 WeakPolarHBondContact O-CB 3.36Å; L503-W507 PolarHBondContact O-N 3.44Å; L503-L508 HydrophobicContact CD2-CD1 4.05Å; L503-L508 HydrophobicContact CD2-CD2 4.19Å; L503-L508 HydrophobicContact CD2-CG 4.02Å
504	A	98.3	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-45.2	-177.8	0	0	0	0	0	111.9	L398 L500 L501 R502 V506 L508 K512 Y515 Y516	L398-A504 HydrophobicContact CD1-CB 4.19Å; L500-A504 WeakPolarHBondContact O-CB 3.46Å; L500-A504 PolarHBondContact O-N 3.02Å; L501-A504 PolarHBondContact O-N 3.32Å; R502-A504 VanDerWaalsContact C-N 3.33Å; R502-A504 PolarHBondContact O-N 3.2Å; A504-V506 PolarHBondContact O-N 2.82Å; A504-L508 HydrophobicContact CB-CD1 3.78Å; A504-L508 HydrophobicContact CB-CG 4.43Å; A504-L508 WeakPolarHBondContact O-CB 3.17Å; A504-L508 PolarHBondContact O-N 3.08Å; A504-K512 HydrophobicContact CB-CB 4.04Å; A504-Y515 HydrophobicContact CB-CD1 3.81Å; A504-Y515 HydrophobicContact CB-CE1 4.48Å; A504-Y516 HydrophobicContact CB-CE1 4.15Å
505	D	98	Very high	96.4	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-69.6	-32.3	-177.5	-163.8	-110.1	0	0	0	113.1	L501 R502 L503 K512 F526 K533	L501-D505 WeakPolarHBondContact O-CB 3.48Å; L501-D505 PolarHBondContact O-N 3.05Å; R502-D505 PolarHBondContact O-N 2.98Å; L503-D505 PolarHBondContact O-N 3.13Å; D505-K512 IonicContact OD2-NZ 2.83Å; D505-K512 PolarHBondContact OD2-NZ 3.36Å; D505-F526 HydrophobicContact CB-CE2 4.27Å; D505-F526 HydrophobicContact CB-CZ 4.18Å; D505-K533 WeakPolarHBondContact OD1-CE 3.46Å; D505-K533 IonicContact OD1-NZ 3.55Å; D505-K533 PolarHBondContact OD1-NZ 3.41Å
506	V	98.6	Very high	96.5	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-87.5	-40.2	-178.3	-179.8	0	0	0	0	112.5	R502 L503 A504 V529 R532 K533 R536	R502-V506 WeakPolarHBondContact O-CB 3.5Å; R502-V506 VanDerWaalsContact O-CG2 3.26Å; R502-V506 WeakPolarHBondContact O-CG2 3.38Å; R502-V506 PolarHBondContact O-N 2.96Å; R502-V506 VanDerWaalsContact O-N 3.1Å; L503-V506 PolarHBondContact O-N 3.27Å; A504-V506 PolarHBondContact O-N 2.82Å; V506-V529 HydrophobicContact CG2-CB 3.76Å; V506-V529 HydrophobicContact CG2-CG1 4.16Å; V506-V529 HydrophobicContact CG2-CG2 4.26Å; V506-R532 HydrophobicContact CG1-CB 3.93Å; V506-R532 HydrophobicContact CG2-CB 3.85Å; V506-K533 HydrophobicContact CG2-CG 4.27Å; V506-R536 WeakPolarHBondContact O-CD 3.22Å; V506-R536 PolarHBondContact O-NH1 2.75Å
507	W	98.6	Very high	96.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-115.6	-16.3	-163.2	-65.8	104.1	0	0	0	115.7	F459 K460 M463 L503 R536 C541 F544	F459-W507 HydrophobicContact CD2-CB 4.19Å; K460-W507 HydrophobicContact CD-CH2 3.88Å; K460-W507 HydrophobicContact CD-CZ2 3.42Å; K460-W507 VanDerWaalsContact CD-CZ2 3.42Å; K460-W507 HydrophobicContact CG-CD2 4.18Å; K460-W507 HydrophobicContact CG-CE3 4.21Å; K460-W507 HydrophobicContact CG-CH2 3.4Å; K460-W507 HydrophobicContact CG-CZ2 3.3Å; K460-W507 HydrophobicContact CG-CZ3 3.83Å; M463-W507 HydrophobicContact CE-CE3 3.98Å; M463-W507 HydrophobicContact CE-CZ3 4.5Å; M463-W507 HydrophobicContact SD-CE3 4.19Å; L503-W507 WeakPolarHBondContact O-CB 3.36Å; L503-W507 PolarHBondContact O-N 3.44Å; W507-R536 HydrophobicContact CE3-CG 4.23Å; W507-R536 HydrophobicContact CH2-CB 3.64Å; W507-R536 HydrophobicContact CH2-CG 3.7Å; W507-R536 HydrophobicContact CZ2-CB 4.18Å; W507-R536 HydrophobicContact CZ3-CB 4.04Å; W507-R536 HydrophobicContact CZ3-CG 3.55Å; W507-C541 HydrophobicContact CZ3-CB 4.34Å; W507-F544 WeakPolarHBondContact O-CB 3.12Å; W507-F544 VanDerWaalsContact O-CD2 3.31Å; W507-F544 WeakPolarHBondContact O-CD2 3.43Å
508	L	98.4	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-97.1	2.7	-173.7	-57.4	-177.4	0	0	0	114.6	L398 F459 L503 A504 D510 Y511 K512 F544	L398-L508 HydrophobicContact CD1-CD1 3.98Å; L398-L508 HydrophobicContact CD2-CD1 3.68Å; L398-L508 HydrophobicContact CG-CD1 4.43Å; F459-L508 HydrophobicContact CD2-CD2 4.27Å; F459-L508 HydrophobicContact CE2-CD2 3.73Å; F459-L508 HydrophobicContact CZ-CD2 4.28Å; L503-L508 HydrophobicContact CD2-CD1 4.05Å; L503-L508 HydrophobicContact CD2-CD2 4.19Å; L503-L508 HydrophobicContact CD2-CG 4.02Å; A504-L508 HydrophobicContact CB-CD1 3.78Å; A504-L508 HydrophobicContact CB-CG 4.43Å; A504-L508 WeakPolarHBondContact O-CB 3.17Å; A504-L508 PolarHBondContact O-N 3.08Å; L508-D510 PolarHBondContact O-N 3.18Å; L508-Y511 WeakPolarHBondContact O-CA 3.44Å; L508-Y511 WeakPolarHBondContact O-CB 2.87Å; L508-Y511 PolarHBondContact O-N 3.47Å; L508-K512 HydrophobicContact CB-CB 4.12Å; L508-F544 HydrophobicContact CB-CD1 4.47Å; L508-F544 HydrophobicContact CD2-CD1 4.1Å; L508-F544 HydrophobicContact CD2-CD2 3.84Å; L508-F544 HydrophobicContact CD2-CE1 3.64Å; L508-F544 HydrophobicContact CD2-CE2 3.37Å; L508-F544 HydrophobicContact CD2-CG 4.18Å; L508-F544 HydrophobicContact CD2-CZ 3.26Å
509	D	98	Very high	95.9	Very high	54 Å²	54	27 Å²	27	29%	0.289	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	48.2	-130.9	-175.7	-60.6	-25.3	0	0	0	111.2	Y511 K512 R536 S543 F544	D509-Y511 VanDerWaalsContact C-N 3.27Å; D509-Y511 PolarHBondContact O-N 3.39Å; D509-K512 WeakPolarHBondContact O-CD 3.31Å; D509-K512 WeakPolarHBondContact O-CG 3.28Å; D509-R536 VanDerWaalsContact CG-NH2 3.34Å; D509-R536 IonicContact OD1-CZ 2.72Å; D509-R536 IonicContact OD1-NH1 3.32Å; D509-R536 PolarHBondContact OD1-NH1 2.77Å; D509-R536 IonicContact OD1-NH2 2.66Å; D509-R536 PolarHBondContact OD1-NH2 2.9Å; D509-R536 IonicContact OD2-NH2 3.68Å; D509-R536 PolarHBondContact OD2-NH2 3.36Å; D509-R536 VanDerWaalsContact OD2-NH2 3.16Å; D509-S543 WeakPolarHBondContact OD2-CA 3.45Å; D509-S543 WeakPolarHBondContact OD2-CB 3.42Å; D509-F544 HydrophobicContact CB-CB 4.31Å; D509-F544 PolarHBondContact OD2-N 2.91Å
510	D	95.2	Very high	95.5	Very high	114 Å²	114	27.9 Å²	27.9	61%	0.61	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-72.3	-16	176	-81.1	-35.4	0	0	0	114.2	L508 K512 R513	L508-D510 PolarHBondContact O-N 3.18Å; D510-K512 PolarHBondContact O-N 3.17Å; D510-R513 WeakPolarHBondContact O-CG 3.45Å; D510-R513 PolarHBondContact O-N 3.35Å; D510-R513 PolarHBondContact O-NE 2.97Å; D510-R513 IonicContact OD1-NH2 3.79Å
511	Y	97	Very high	95.1	Very high	28 Å²	28	29.3 Å²	29.3	11%	0.11	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-71.6	-13.8	-179.9	-65	-92.7	0	0	0	112.7	W396 L508 D509 R513 F514 F544 D545 L548 I557	W396-Y511 AromaticContact CH2-CD1 3.74Å; W396-Y511 HydrophobicContact CH2-CD1 3.74Å; W396-Y511 HydrophobicContact CH2-CG 4.25Å; W396-Y511 HydrophobicContact CZ2-CD1 4.5Å; W396-Y511 HydrophobicContact CZ3-CD1 4.47Å; L508-Y511 WeakPolarHBondContact O-CA 3.44Å; L508-Y511 WeakPolarHBondContact O-CB 2.87Å; L508-Y511 PolarHBondContact O-N 3.47Å; D509-Y511 VanDerWaalsContact C-N 3.27Å; D509-Y511 PolarHBondContact O-N 3.39Å; Y511-R513 PolarHBondContact O-N 2.91Å; Y511-F514 HydrophobicContact CD1-CD2 4.12Å; Y511-F514 AromaticContact CD1-CE2 3.72Å; Y511-F514 HydrophobicContact CD1-CE2 3.72Å; Y511-F514 HydrophobicContact CE1-CE2 4.4Å; Y511-F514 WeakPolarHBondContact O-CD2 3.43Å; Y511-F514 PolarHBondContact O-N 3.37Å; Y511-F544 HydrophobicContact CD2-CB 4.44Å; Y511-F544 AromaticContact CD2-CD1 3.73Å; Y511-F544 HydrophobicContact CD2-CD1 3.73Å; Y511-F544 AromaticContact CG-CD1 3.85Å; Y511-F544 HydrophobicContact CG-CD1 3.85Å; Y511-F544 HydrophobicContact CG-CE1 4.33Å; Y511-D545 HydrophobicContact CE2-CB 3.94Å; Y511-D545 PolarHBondContact OH-OD1 2.93Å; Y511-L548 HydrophobicContact CD1-CD1 3.64Å; Y511-L548 HydrophobicContact CD2-CD1 4.29Å; Y511-L548 HydrophobicContact CE1-CD1 3.51Å; Y511-L548 HydrophobicContact CE2-CD1 4.14Å; Y511-L548 HydrophobicContact CG-CD1 4.05Å; Y511-I557 HydrophobicContact CD1-CG2 4.11Å; Y511-I557 HydrophobicContact CE1-CD1 4.4Å; Y511-I557 HydrophobicContact CE1-CG2 3.62Å
512	K	96.3	Very high	94.8	Very high	60 Å²	60	37.1 Å²	37.1	26%	0.261	17%	0.173	S	C	.	.	H	α-helix	trans	-54.1	-25.6	173.8	71.6	-172.9	178.6	-175.2	0	113.7	A504 D505 L508 D509 D510 F514 Y515 Y516	A504-K512 HydrophobicContact CB-CB 4.04Å; D505-K512 IonicContact OD2-NZ 2.83Å; D505-K512 PolarHBondContact OD2-NZ 3.36Å; L508-K512 HydrophobicContact CB-CB 4.12Å; D509-K512 WeakPolarHBondContact O-CD 3.31Å; D509-K512 WeakPolarHBondContact O-CG 3.28Å; D510-K512 PolarHBondContact O-N 3.17Å; K512-F514 PolarHBondContact O-N 3.07Å; K512-Y515 PolarHBondContact O-N 3.11Å; K512-Y516 HydrophobicContact CB-CE1 4.31Å; K512-Y516 VanDerWaalsContact O-CD1 3.28Å; K512-Y516 WeakPolarHBondContact O-CD1 3.48Å; K512-Y516 PolarHBondContact O-N 3.49Å
513	R	94.6	Very high	94.4	Very high	77 Å²	77	40.2 Å²	40.2	29%	0.291	19%	0.192	S	C	.	.	H	α-helix	trans	-55.8	-31.4	175.8	72.6	-174.6	66.9	-159	-2.5	113.4	D510 Y511 Y516 A517 P689	D510-R513 WeakPolarHBondContact O-CG 3.45Å; D510-R513 PolarHBondContact O-N 3.35Å; D510-R513 PolarHBondContact O-NE 2.97Å; D510-R513 IonicContact OD1-NH2 3.79Å; Y511-R513 PolarHBondContact O-N 2.91Å; R513-Y516 PolarHBondContact O-N 2.89Å; R513-A517 WeakPolarHBondContact O-CB 3.47Å; R513-A517 PolarHBondContact O-N 3.45Å; R513-P689 HydrophobicContact CG-CG 4.3Å
514	F	93.8	Very high	94.1	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-71.6	-44.1	179.6	-62.5	-54	0	0	0	111.3	W396 Y511 K512 Y516 A517 R518 I557 P558 Y687 P689	W396-F514 HydrophobicContact CB-CB 4.23Å; W396-F514 HydrophobicContact CD2-CB 3.77Å; W396-F514 HydrophobicContact CD2-CD2 4.18Å; W396-F514 HydrophobicContact CD2-CG 4.21Å; W396-F514 HydrophobicContact CE3-CB 3.51Å; W396-F514 AromaticContact CE3-CD2 3.91Å; W396-F514 HydrophobicContact CE3-CD2 3.91Å; W396-F514 HydrophobicContact CE3-CG 4.11Å; W396-F514 HydrophobicContact CG-CB 4.1Å; W396-F514 AromaticContact CH2-CD2 3.84Å; W396-F514 HydrophobicContact CH2-CD2 3.84Å; W396-F514 HydrophobicContact CH2-CE2 4.45Å; W396-F514 HydrophobicContact CZ2-CD2 4.11Å; W396-F514 HydrophobicContact CZ3-CB 4.14Å; W396-F514 AromaticContact CZ3-CD2 3.74Å; W396-F514 HydrophobicContact CZ3-CD2 3.74Å; W396-F514 HydrophobicContact CZ3-CG 4.39Å; Y511-F514 HydrophobicContact CD1-CD2 4.12Å; Y511-F514 AromaticContact CD1-CE2 3.72Å; Y511-F514 HydrophobicContact CD1-CE2 3.72Å; Y511-F514 HydrophobicContact CE1-CE2 4.4Å; Y511-F514 WeakPolarHBondContact O-CD2 3.43Å; Y511-F514 PolarHBondContact O-N 3.37Å; K512-F514 PolarHBondContact O-N 3.07Å; F514-Y516 VanDerWaalsContact C-N 3.34Å; F514-A517 PolarHBondContact O-N 3.24Å; F514-R518 WeakPolarHBondContact O-CG 3.4Å; F514-R518 PolarHBondContact O-N 3.5Å; F514-R518 VanDerWaalsContact O-N 3.13Å; F514-I557 HydrophobicContact CE2-CG2 4.25Å; F514-P558 HydrophobicContact CD1-CB 4Å; F514-P558 HydrophobicContact CD1-CG 3.9Å; F514-P558 HydrophobicContact CE1-CB 3.63Å; F514-P558 HydrophobicContact CE1-CG 3.99Å; F514-P558 HydrophobicContact CG-CG 4.33Å; F514-P558 HydrophobicContact CZ-CB 4.15Å; F514-P558 HydrophobicContact CZ-CG 4.46Å; F514-Y687 HydrophobicContact CD1-CD1 4.35Å; F514-Y687 HydrophobicContact CD1-CE1 4.48Å; F514-Y687 HydrophobicContact CE1-CD1 4.25Å; F514-P689 HydrophobicContact CD1-CG 3.99Å; F514-P689 HydrophobicContact CE1-CG 4.24Å
515	Y	94.7	Very high	93.9	Very high	6 Å²	6	49.1 Å²	49.1	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-42.4	171.2	173.9	-115.7	0	0	0	111.5	W396 L398 L500 L501 A504 K512 A517 R518 I519	W396-Y515 WeakPolarHBondContact O-CA 3.26Å; L398-Y515 HydrophobicContact CB-CD2 4.35Å; L398-Y515 HydrophobicContact CD1-CD1 3.76Å; L398-Y515 HydrophobicContact CD1-CD2 3.68Å; L398-Y515 HydrophobicContact CD1-CE1 4.22Å; L398-Y515 HydrophobicContact CD1-CE2 4.16Å; L398-Y515 HydrophobicContact CD1-CG 3.48Å; L398-Y515 VanDerWaalsContact CD1-CG 3.48Å; L398-Y515 HydrophobicContact CG-CD2 3.73Å; L398-Y515 HydrophobicContact CG-CE2 4.39Å; L398-Y515 HydrophobicContact CG-CG 3.88Å; L500-Y515 HydrophobicContact CB-CE1 3.91Å; L500-Y515 HydrophobicContact CB-CE2 4.11Å; L500-Y515 VanDerWaalsContact CB-CZ 3.5Å; L500-Y515 VanDerWaalsContact CB-OH 3.24Å; L500-Y515 WeakPolarHBondContact CB-OH 3.16Å; L500-Y515 HydrophobicContact CD1-CE2 4Å; L501-Y515 HydrophobicContact CD2-CE1 3.91Å; L501-Y515 HydrophobicContact CG-CE1 4.1Å; A504-Y515 HydrophobicContact CB-CD1 3.81Å; A504-Y515 HydrophobicContact CB-CE1 4.48Å; K512-Y515 PolarHBondContact O-N 3.11Å; Y515-A517 VanDerWaalsContact C-N 3.29Å; Y515-A517 PolarHBondContact O-N 3.32Å; Y515-R518 WeakPolarHBondContact O-CB 3.05Å; Y515-R518 PolarHBondContact O-N 3.44Å; Y515-I519 HydrophobicContact CE1-CD1 4.22Å; Y515-I519 HydrophobicContact CE2-CG2 3.85Å; Y515-I519 PolarHBondContact O-N 3.45Å
516	Y	93.9	Very high	93.7	Very high	33 Å²	33	49.8 Å²	49.8	13%	0.129	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-41.7	178.4	-74.1	18	0	0	0	110.9	L501 A504 K512 R513 F514 R518 I519 G520 F521 T523	L501-Y516 HydrophobicContact CD2-CD1 4.1Å; L501-Y516 HydrophobicContact CD2-CE1 3.57Å; A504-Y516 HydrophobicContact CB-CE1 4.15Å; K512-Y516 HydrophobicContact CB-CE1 4.31Å; K512-Y516 VanDerWaalsContact O-CD1 3.28Å; K512-Y516 WeakPolarHBondContact O-CD1 3.48Å; K512-Y516 PolarHBondContact O-N 3.49Å; R513-Y516 PolarHBondContact O-N 2.89Å; F514-Y516 VanDerWaalsContact C-N 3.34Å; Y516-R518 VanDerWaalsContact C-N 3.32Å; Y516-R518 PolarHBondContact O-N 3.42Å; Y516-I519 CarbonylContact O-C 3.53Å; Y516-I519 WeakPolarHBondContact O-CG1 3.44Å; Y516-I519 PolarHBondContact O-N 3.44Å; Y516-G520 PolarHBondContact O-N 3.1Å; Y516-F521 HydrophobicContact CD2-CD1 4.37Å; Y516-F521 WeakPolarHBondContact O-CA 3.39Å; Y516-F521 PolarHBondContact O-N 3.14Å; Y516-T523 HydrophobicContact CE2-CG2 4.45Å
517	A	91.2	Very high	93.6	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-37.8	173.6	0	0	0	0	0	113	R513 F514 Y515 I519 G520 F521 P689 F694	R513-A517 WeakPolarHBondContact O-CB 3.47Å; R513-A517 PolarHBondContact O-N 3.45Å; F514-A517 PolarHBondContact O-N 3.24Å; Y515-A517 VanDerWaalsContact C-N 3.29Å; Y515-A517 PolarHBondContact O-N 3.32Å; A517-I519 VanDerWaalsContact C-N 3.28Å; A517-I519 PolarHBondContact O-N 2.9Å; A517-G520 WeakPolarHBondContact O-CA 3.39Å; A517-G520 PolarHBondContact O-N 2.91Å; A517-F521 VanDerWaalsContact CA-CE2 3.45Å; A517-F521 HydrophobicContact CB-CE2 3.71Å; A517-F521 HydrophobicContact CB-CZ 4.08Å; A517-P689 HydrophobicContact CB-CB 3.65Å; A517-P689 HydrophobicContact CB-CG 3.67Å; A517-F694 HydrophobicContact CB-CE2 3.97Å; A517-F694 WeakPolarHBondContact O-CZ 3.45Å
518	R	88.2	Confident	93.5	Very high	95 Å²	95	56.2 Å²	56.2	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-30.8	177.7	-67.2	-68	-67.6	-101.7	-9.7	113.1	S397 F514 Y515 Y516 G520 D616	S397-R518 PolarHBondContact OG-NE 3.28Å; S397-R518 PolarHBondContact OG-NH2 3.49Å; F514-R518 WeakPolarHBondContact O-CG 3.4Å; F514-R518 PolarHBondContact O-N 3.5Å; F514-R518 VanDerWaalsContact O-N 3.13Å; Y515-R518 WeakPolarHBondContact O-CB 3.05Å; Y515-R518 PolarHBondContact O-N 3.44Å; Y516-R518 VanDerWaalsContact C-N 3.32Å; Y516-R518 PolarHBondContact O-N 3.42Å; R518-G520 VanDerWaalsContact C-N 3.31Å; R518-D616 IonicContact CZ-OD1 2.66Å; R518-D616 VanDerWaalsContact NH1-CG 3.29Å; R518-D616 IonicContact NH1-OD1 3.15Å; R518-D616 PolarHBondContact NH1-OD1 2.78Å; R518-D616 IonicContact NH1-OD2 3.63Å
519	I	89.7	Confident	93.5	Very high	33 Å²	33	56.7 Å²	56.7	17%	0.169	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.5	172.7	65.7	172.1	0	0	0	112.8	L501 Y515 Y516 A517 F521 K522	L501-I519 HydrophobicContact CD2-CD1 3.83Å; L501-I519 HydrophobicContact CG-CD1 4.49Å; Y515-I519 HydrophobicContact CE1-CD1 4.22Å; Y515-I519 HydrophobicContact CE2-CG2 3.85Å; Y515-I519 PolarHBondContact O-N 3.45Å; Y516-I519 CarbonylContact O-C 3.53Å; Y516-I519 WeakPolarHBondContact O-CG1 3.44Å; Y516-I519 PolarHBondContact O-N 3.44Å; A517-I519 VanDerWaalsContact C-N 3.28Å; A517-I519 PolarHBondContact O-N 2.9Å; I519-F521 VanDerWaalsContact C-N 3.27Å; I519-F521 PolarHBondContact O-N 3.17Å; I519-K522 WeakPolarHBondContact O-CB 3.27Å; I519-K522 PolarHBondContact O-N 3.02Å; I519-K522 VanDerWaalsContact O-N 3.17Å
520	G	88.9	Confident	93.5	Very high	18 Å²	18	57.2 Å²	57.2	19%	0.186	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	31.3	-178.5	0	0	0	0	0	114.7	Y516 A517 R518 K522	Y516-G520 PolarHBondContact O-N 3.1Å; A517-G520 WeakPolarHBondContact O-CA 3.39Å; A517-G520 PolarHBondContact O-N 2.91Å; R518-G520 VanDerWaalsContact C-N 3.31Å; G520-K522 PolarHBondContact O-N 3.44Å
521	F	89.8	Confident	93.6	Very high	40 Å²	40	57.1 Å²	57.1	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	14.4	-174.1	-65.3	-96.2	0	0	0	114.2	Y516 A517 I519 T523 P689 A691 F694	Y516-F521 HydrophobicContact CD2-CD1 4.37Å; Y516-F521 WeakPolarHBondContact O-CA 3.39Å; Y516-F521 PolarHBondContact O-N 3.14Å; A517-F521 VanDerWaalsContact CA-CE2 3.45Å; A517-F521 HydrophobicContact CB-CE2 3.71Å; A517-F521 HydrophobicContact CB-CZ 4.08Å; I519-F521 VanDerWaalsContact C-N 3.27Å; I519-F521 PolarHBondContact O-N 3.17Å; F521-T523 PolarHBondContact O-N 2.83Å; F521-T523 VanDerWaalsContact O-N 3.1Å; F521-P689 HydrophobicContact CE2-CB 4.11Å; F521-P689 HydrophobicContact CZ-CB 3.93Å; F521-A691 HydrophobicContact CD1-CB 3.96Å; F521-A691 HydrophobicContact CE1-CB 4.44Å; F521-A691 HydrophobicContact CG-CB 4.27Å; F521-F694 HydrophobicContact CD2-CB 3.76Å; F521-F694 HydrophobicContact CD2-CD1 4.47Å; F521-F694 AromaticContact CD2-CD2 3.27Å; F521-F694 HydrophobicContact CD2-CD2 3.27Å; F521-F694 AromaticContact CD2-CE2 3.91Å; F521-F694 HydrophobicContact CD2-CE2 3.91Å; F521-F694 AromaticContact CD2-CG 3.56Å; F521-F694 HydrophobicContact CD2-CG 3.56Å; F521-F694 HydrophobicContact CE2-CB 4.41Å; F521-F694 AromaticContact CE2-CD2 3.27Å; F521-F694 HydrophobicContact CE2-CD2 3.27Å; F521-F694 AromaticContact CE2-CE2 3.73Å; F521-F694 HydrophobicContact CE2-CE2 3.73Å; F521-F694 HydrophobicContact CE2-CG 4.06Å
522	K	90.8	Very high	93.7	Very high	165 Å²	165	56.1 Å²	56.1	72%	0.717	28%	0.284	S	S	*	.			trans	-83.5	82.5	175.8	-62.9	179.7	-175.7	177	0	109.7	I519 G520	I519-K522 WeakPolarHBondContact O-CB 3.27Å; I519-K522 PolarHBondContact O-N 3.02Å; I519-K522 VanDerWaalsContact O-N 3.17Å; G520-K522 PolarHBondContact O-N 3.44Å
523	T	89.8	Confident	93.8	Very high	75 Å²	75	57.1 Å²	57.1	46%	0.46	29%	0.288	S	S	.	.			trans	-75.4	163.7	176.1	62.4	0	0	0	0	111.4	L501 Y516 F521	L501-T523 HydrophobicContact CD2-CG2 3.97Å; Y516-T523 HydrophobicContact CE2-CG2 4.45Å; F521-T523 PolarHBondContact O-N 2.83Å; F521-T523 VanDerWaalsContact O-N 3.1Å
524	I	92.3	Very high	94	Very high	57 Å²	57	55.9 Å²	55.9	29%	0.292	30%	0.295	S	S	.	.			trans	-125.4	167.4	169.3	59.9	170	0	0	0	108.6	V492 D494 K497 R498 L501 F526	V492-I524 HydrophobicContact CG1-CD1 4.4Å; D494-I524 HydrophobicContact CB-CD1 4.26Å; D494-I524 WeakPolarHBondContact O-CD1 3.21Å; K497-I524 HydrophobicContact CB-CD1 4.22Å; K497-I524 HydrophobicContact CD-CD1 4.36Å; K497-I524 HydrophobicContact CD-CG1 4.29Å; K497-I524 HydrophobicContact CD-CG2 4.23Å; K497-I524 HydrophobicContact CG-CD1 4.23Å; K497-I524 HydrophobicContact CG-CG1 4.24Å; R498-I524 HydrophobicContact CB-CD1 4.01Å; L501-I524 HydrophobicContact CD1-CG1 3.69Å; I524-F526 WeakPolarHBondContact O-CD1 3.12Å; I524-F526 PolarHBondContact O-N 3.12Å
525	D	93.8	Very high	94.2	Very high	131 Å²	131	56.8 Å²	56.8	70%	0.701	30%	0.299	S	S	*	.			trans	-63.9	110.4	170.3	178.6	18	0	0	0	110.3	R498 G527	R498-D525 PolarHBondContact NH1-O 2.75Å; R498-D525 VanDerWaalsContact NH1-O 3.08Å; D525-G527 WeakPolarHBondContact OD1-CA 3.46Å; D525-G527 PolarHBondContact OD1-N 3.5Å
526	F	94.7	Very high	94.4	Very high	40 Å²	40	58.2 Å²	58.2	18%	0.175	31%	0.305	C	S	.	.			trans	-99.4	7.3	178.4	61.4	-99.4	0	0	0	113	R498 L501 R502 D505 I524 V529	R498-F526 HydrophobicContact CG-CB 4.27Å; R498-F526 VanDerWaalsContact CZ-O 3.29Å; R498-F526 PolarHBondContact NH1-O 2.67Å; R498-F526 PolarHBondContact NH2-O 3.05Å; L501-F526 HydrophobicContact CB-CB 3.87Å; L501-F526 HydrophobicContact CB-CD1 3.75Å; L501-F526 HydrophobicContact CB-CG 3.91Å; L501-F526 HydrophobicContact CD1-CB 4.5Å; L501-F526 HydrophobicContact CD1-CD1 4.14Å; L501-F526 HydrophobicContact CG-CD1 4.44Å; R502-F526 WeakPolarHBondContact CD-O 3.44Å; R502-F526 HydrophobicContact CG-CB 3.89Å; R502-F526 HydrophobicContact CG-CD2 3.91Å; R502-F526 HydrophobicContact CG-CG 4.31Å; R502-F526 WeakPolarHBondContact CG-O 3.23Å; R502-F526 PolarHBondContact NH1-O 3.27Å; D505-F526 HydrophobicContact CB-CE2 4.27Å; D505-F526 HydrophobicContact CB-CZ 4.18Å; I524-F526 WeakPolarHBondContact O-CD1 3.12Å; I524-F526 PolarHBondContact O-N 3.12Å; F526-V529 HydrophobicContact CD2-CG1 3.86Å; F526-V529 HydrophobicContact CE2-CG1 3.83Å; F526-V529 HydrophobicContact CE2-CG2 4.1Å
527	G	95.1	Very high	94.6	Very high	22 Å²	22	63.7 Å²	63.7	23%	0.227	33%	0.332	C	S	.	.			trans	73	-178.1	178.4	0	0	0	0	0	114.1	D525	D525-G527 WeakPolarHBondContact OD1-CA 3.46Å; D525-G527 PolarHBondContact OD1-N 3.5Å
528	D	97.3	Very high	95	Very high	119 Å²	119	71.5 Å²	71.5	64%	0.636	36%	0.364	S	S	*	.			trans	-69.9	135.1	179.2	-175.3	24	0	0	0	112.1	R502 S530	R502-D528 PolarHBondContact NH1-O 2.82Å; R502-D528 PolarHBondContact NH2-O 3.45Å; D528-S530 VanDerWaalsContact CG-OG 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.42Å; D528-S530 PolarHBondContact OD1-N 3.37Å; D528-S530 PolarHBondContact OD1-OG 2.87Å; D528-S530 PolarHBondContact OD2-OG 3.08Å
529	V	98.1	Very high	95.4	Very high	10 Å²	10	68.4 Å²	68.4	6%	0.061	35%	0.354	C	S	.	.			trans	-121.8	8.2	178.1	-64.9	0	0	0	0	112.2	R502 V506 F526 E531 R532 K533	R502-V529 HydrophobicContact CB-CG1 4.12Å; R502-V529 HydrophobicContact CG-CG1 4Å; V506-V529 HydrophobicContact CG2-CB 3.76Å; V506-V529 HydrophobicContact CG2-CG1 4.16Å; V506-V529 HydrophobicContact CG2-CG2 4.26Å; F526-V529 HydrophobicContact CD2-CG1 3.86Å; F526-V529 HydrophobicContact CE2-CG1 3.83Å; F526-V529 HydrophobicContact CE2-CG2 4.1Å; V529-E531 VanDerWaalsContact C-N 3.35Å; V529-E531 PolarHBondContact O-N 3.07Å; V529-R532 PolarHBondContact O-N 3.36Å; V529-R532 VanDerWaalsContact O-N 3.07Å; V529-K533 HydrophobicContact CG2-CD 4.32Å; V529-K533 PolarHBondContact O-N 2.97Å
530	S	98.4	Very high	95.9	Very high	65 Å²	65	75.7 Å²	75.7	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-54.4	-46.5	-177.4	66.4	0	0	0	0	112.8	D528 R532 K533 A534	D528-S530 VanDerWaalsContact CG-OG 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.42Å; D528-S530 PolarHBondContact OD1-N 3.37Å; D528-S530 PolarHBondContact OD1-OG 2.87Å; D528-S530 PolarHBondContact OD2-OG 3.08Å; S530-R532 VanDerWaalsContact C-N 3.3Å; S530-R532 PolarHBondContact O-N 2.9Å; S530-K533 PolarHBondContact O-N 2.88Å; S530-A534 WeakPolarHBondContact O-CB 3.27Å; S530-A534 PolarHBondContact O-N 3.34Å
531	E	98.1	Very high	96.3	Very high	111 Å²	111	75.9 Å²	75.9	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-58	-41.5	176.7	-172.2	-139.5	116.1	0	0	111.9	V529 A534 L535	V529-E531 VanDerWaalsContact C-N 3.35Å; V529-E531 PolarHBondContact O-N 3.07Å; E531-A534 PolarHBondContact O-N 3.4Å; E531-L535 WeakPolarHBondContact O-CB 3.4Å; E531-L535 PolarHBondContact O-N 2.92Å
532	R	98.5	Very high	96.7	Very high	7 Å²	7	81.3 Å²	81.3	3%	0.026	40%	0.402	C	S	.	.	H	α-helix	trans	-71.4	-36.7	-177.8	-50.8	-50.4	-64.9	176.2	-9.5	111.7	G441 E456 V506 V529 S530 L535 R536	G441-R532 PolarHBondContact O-NH1 2.89Å; G441-R532 PolarHBondContact O-NH2 3.17Å; E456-R532 IonicContact OE1-CZ 3.96Å; E456-R532 IonicContact OE1-NE 2.73Å; E456-R532 IonicContact OE1-NH2 3.63Å; E456-R532 PolarHBondContact OE1-NH2 3.42Å; V506-R532 HydrophobicContact CG1-CB 3.93Å; V506-R532 HydrophobicContact CG2-CB 3.85Å; V529-R532 PolarHBondContact O-N 3.36Å; V529-R532 VanDerWaalsContact O-N 3.07Å; S530-R532 VanDerWaalsContact C-N 3.3Å; S530-R532 PolarHBondContact O-N 2.9Å; R532-L535 PolarHBondContact O-N 2.75Å; R532-R536 PolarHBondContact O-N 3.23Å; R532-R536 VanDerWaalsContact O-N 3.08Å
533	K	98.5	Very high	97.1	Very high	81 Å²	81	75.9 Å²	75.9	35%	0.352	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-46.9	171.7	-69	-179.8	177.3	173.4	0	111.3	D505 V506 V529 S530 L535 R536 E537	D505-K533 WeakPolarHBondContact OD1-CE 3.46Å; D505-K533 IonicContact OD1-NZ 3.55Å; D505-K533 PolarHBondContact OD1-NZ 3.41Å; V506-K533 HydrophobicContact CG2-CG 4.27Å; V529-K533 HydrophobicContact CG2-CD 4.32Å; V529-K533 PolarHBondContact O-N 2.97Å; S530-K533 PolarHBondContact O-N 2.88Å; K533-L535 VanDerWaalsContact C-N 3.3Å; K533-L535 PolarHBondContact O-N 3.26Å; K533-R536 WeakPolarHBondContact O-CB 3.36Å; K533-R536 PolarHBondContact O-N 3.12Å; K533-R536 VanDerWaalsContact O-N 3.13Å; K533-E537 WeakPolarHBondContact O-CG 3.42Å; K533-E537 PolarHBondContact O-N 3.43Å
534	A	98.5	Very high	97.5	Very high	52 Å²	52	72.3 Å²	72.3	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-37.9	176.5	0	0	0	0	0	112.3	S530 E531 E537 K538	S530-A534 WeakPolarHBondContact O-CB 3.27Å; S530-A534 PolarHBondContact O-N 3.34Å; E531-A534 PolarHBondContact O-N 3.4Å; A534-E537 PolarHBondContact O-N 2.91Å; A534-K538 VanDerWaalsContact O-CB 3.22Å; A534-K538 WeakPolarHBondContact O-CB 3.33Å; A534-K538 PolarHBondContact O-N 3.42Å
535	L	98.5	Very high	97.8	Very high	24 Å²	24	72.9 Å²	72.9	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-49.9	172.3	174.2	67	0	0	0	111.4	E531 R532 K533 E537 K538 L539	E531-L535 WeakPolarHBondContact O-CB 3.4Å; E531-L535 PolarHBondContact O-N 2.92Å; R532-L535 PolarHBondContact O-N 2.75Å; K533-L535 VanDerWaalsContact C-N 3.3Å; K533-L535 PolarHBondContact O-N 3.26Å; L535-E537 VanDerWaalsContact C-N 3.31Å; L535-E537 PolarHBondContact O-N 3.24Å; L535-K538 PolarHBondContact O-N 3.44Å; L535-L539 HydrophobicContact CD1-CD1 3.81Å; L535-L539 HydrophobicContact CD1-CG 4.04Å; L535-L539 HydrophobicContact CG-CD1 4.05Å; L535-L539 WeakPolarHBondContact O-CB 3.15Å; L535-L539 WeakPolarHBondContact O-CG 3.4Å; L535-L539 PolarHBondContact O-N 3.22Å
536	R	98.5	Very high	98	Very high	37 Å²	37	70 Å²	70	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-43.2	178.7	-178.3	175.8	179.1	-155.5	-7.6	112	M463 V506 W507 D509 R532 K533 K540 C541 R542	M463-R536 VanDerWaalsContact CE-NH2 3.32Å; V506-R536 WeakPolarHBondContact O-CD 3.22Å; V506-R536 PolarHBondContact O-NH1 2.75Å; W507-R536 HydrophobicContact CE3-CG 4.23Å; W507-R536 HydrophobicContact CH2-CB 3.64Å; W507-R536 HydrophobicContact CH2-CG 3.7Å; W507-R536 HydrophobicContact CZ2-CB 4.18Å; W507-R536 HydrophobicContact CZ3-CB 4.04Å; W507-R536 HydrophobicContact CZ3-CG 3.55Å; D509-R536 VanDerWaalsContact CG-NH2 3.34Å; D509-R536 IonicContact OD1-CZ 2.72Å; D509-R536 IonicContact OD1-NH1 3.32Å; D509-R536 PolarHBondContact OD1-NH1 2.77Å; D509-R536 IonicContact OD1-NH2 2.66Å; D509-R536 PolarHBondContact OD1-NH2 2.9Å; D509-R536 IonicContact OD2-NH2 3.68Å; D509-R536 PolarHBondContact OD2-NH2 3.36Å; D509-R536 VanDerWaalsContact OD2-NH2 3.16Å; R532-R536 PolarHBondContact O-N 3.23Å; R532-R536 VanDerWaalsContact O-N 3.08Å; K533-R536 WeakPolarHBondContact O-CB 3.36Å; K533-R536 PolarHBondContact O-N 3.12Å; K533-R536 VanDerWaalsContact O-N 3.13Å; R536-K540 PolarHBondContact O-N 3.42Å; R536-C541 HydrophobicContact CG-CB 4.09Å; R536-C541 PolarHBondContact O-N 3.2Å; R536-R542 PolarHBondContact NH2-O 2.96Å
537	E	98.4	Very high	98.2	Very high	148 Å²	148	68.1 Å²	68.1	69%	0.692	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-47.6	176.1	-71.8	174.1	-173.5	0	0	111.8	K533 A534 L535 L539 K540	K533-E537 WeakPolarHBondContact O-CG 3.42Å; K533-E537 PolarHBondContact O-N 3.43Å; A534-E537 PolarHBondContact O-N 2.91Å; L535-E537 VanDerWaalsContact C-N 3.31Å; L535-E537 PolarHBondContact O-N 3.24Å; E537-L539 VanDerWaalsContact C-N 3.29Å; E537-L539 PolarHBondContact O-N 3.32Å; E537-K540 PolarHBondContact O-N 3.19Å
538	K	98.3	Very high	98.3	Very high	171 Å²	171	67.1 Å²	67.1	74%	0.743	33%	0.328	S	S	*	.	H	α-helix	trans	-57.4	-41.8	178.1	177.9	-176.7	175.4	-176.2	0	112.2	A534 L535 K540	A534-K538 VanDerWaalsContact O-CB 3.22Å; A534-K538 WeakPolarHBondContact O-CB 3.33Å; A534-K538 PolarHBondContact O-N 3.42Å; L535-K538 PolarHBondContact O-N 3.44Å; K538-K540 PolarHBondContact O-N 2.71Å
539	L	98.4	Very high	98.2	Very high	30 Å²	30	64.4 Å²	64.4	16%	0.157	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.2	178.7	-67.5	179.8	0	0	0	113.3	H439 L440 C464 L535 E537 C541	H439-L539 VanDerWaalsContact CE1-CD2 3.47Å; H439-L539 WeakPolarHBondContact CE1-CD2 3.34Å; L440-L539 HydrophobicContact CD2-CD1 4.47Å; C464-L539 HydrophobicContact CB-CB 4.48Å; C464-L539 HydrophobicContact CB-CD1 4.42Å; L535-L539 HydrophobicContact CD1-CD1 3.81Å; L535-L539 HydrophobicContact CD1-CG 4.04Å; L535-L539 HydrophobicContact CG-CD1 4.05Å; L535-L539 WeakPolarHBondContact O-CB 3.15Å; L535-L539 WeakPolarHBondContact O-CG 3.4Å; L535-L539 PolarHBondContact O-N 3.22Å; E537-L539 VanDerWaalsContact C-N 3.29Å; E537-L539 PolarHBondContact O-N 3.32Å; L539-C541 WeakPolarHBondContact CB-SG 3.31Å; L539-C541 PolarHBondContact O-N 2.85Å
540	K	98.3	Very high	98.1	Very high	186 Å²	186	66.3 Å²	66.3	81%	0.809	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	41.7	-178.8	-57.2	-179.2	-179.6	179.7	0	112.2	R536 E537 K538	R536-K540 PolarHBondContact O-N 3.42Å; E537-K540 PolarHBondContact O-N 3.19Å; K538-K540 PolarHBondContact O-N 2.71Å
541	C	98.6	Very high	98	Very high	22 Å²	22	64 Å²	64	15%	0.149	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.4	150.9	-177.7	-50.6	0	0	0	0	111.1	M463 C464 W507 R536 L539	M463-C541 HydrophobicContact CB-CB 4.13Å; M463-C541 CarbonylContact O-C 3.53Å; M463-C541 WeakPolarHBondContact O-CA 3.3Å; M463-C541 WeakPolarHBondContact O-CB 3.46Å; C464-C541 HydrophobicContact CB-CB 4.09Å; C464-C541 WeakPolarHBondContact CB-SG 3.29Å; C464-C541 WeakPolarHBondContact SG-CB 3.28Å; C464-C541 CovalentContact SG-SG 2.04Å; C464-C541 PolarHBondContact SG-SG 3.12Å; W507-C541 HydrophobicContact CZ3-CB 4.34Å; R536-C541 HydrophobicContact CG-CB 4.09Å; R536-C541 PolarHBondContact O-N 3.2Å; L539-C541 WeakPolarHBondContact CB-SG 3.31Å; L539-C541 PolarHBondContact O-N 2.85Å
542	R	98.6	Very high	97.9	Very high	154 Å²	154	59.5 Å²	59.5	58%	0.581	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-63.3	163.6	172.8	-59.2	-67.2	-173.8	175.3	0.8	111.1	M463 R536 W546	M463-R542 WeakPolarHBondContact CE-O 3.45Å; M463-R542 PolarHBondContact O-N 3.05Å; R536-R542 PolarHBondContact NH2-O 2.96Å; R542-W546 HydrophobicContact CB-CB 4.04Å; R542-W546 HydrophobicContact CB-CD2 3.61Å; R542-W546 HydrophobicContact CB-CE3 3.47Å; R542-W546 VanDerWaalsContact CB-CE3 3.47Å; R542-W546 HydrophobicContact CB-CG 3.85Å; R542-W546 HydrophobicContact CB-CZ3 4.19Å; R542-W546 HydrophobicContact CG-CD2 3.68Å; R542-W546 HydrophobicContact CG-CE3 3.76Å; R542-W546 HydrophobicContact CG-CG 4.13Å; R542-W546 HydrophobicContact CG-CH2 4.42Å; R542-W546 HydrophobicContact CG-CZ2 4.35Å; R542-W546 HydrophobicContact CG-CZ3 4.14Å
543	S	98.5	Very high	97.5	Very high	51 Å²	51	62.3 Å²	62.3	36%	0.357	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.8	159.9	172.5	61.1	0	0	0	0	111.5	D509 D545 W546 Y547	D509-S543 WeakPolarHBondContact OD2-CA 3.45Å; D509-S543 WeakPolarHBondContact OD2-CB 3.42Å; S543-D545 PolarHBondContact O-N 3.44Å; S543-W546 WeakPolarHBondContact O-CB 3.43Å; S543-W546 PolarHBondContact O-N 3.3Å; S543-W546 WeakPolarHBondContact OG-CB 3.47Å; S543-W546 PolarHBondContact OG-N 3.21Å; S543-W546 VanDerWaalsContact OG-N 3.13Å; S543-Y547 PolarHBondContact O-N 2.79Å
544	F	98.5	Very high	97	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-30.4	171.8	-164.2	-109.3	0	0	0	111.6	F394 W396 F459 M463 W507 L508 D509 Y511 W546 Y547 L548	F394-F544 HydrophobicContact CE1-CZ 4.49Å; F394-F544 HydrophobicContact CE2-CZ 4.46Å; F394-F544 HydrophobicContact CZ-CE1 4.48Å; F394-F544 AromaticContact CZ-CZ 3.75Å; F394-F544 HydrophobicContact CZ-CZ 3.75Å; W396-F544 HydrophobicContact CH2-CE1 4.26Å; W396-F544 HydrophobicContact CZ3-CE1 4.41Å; F459-F544 HydrophobicContact CD1-CE2 4.04Å; F459-F544 HydrophobicContact CD2-CE2 4.26Å; F459-F544 AromaticContact CE1-CE2 3.99Å; F459-F544 HydrophobicContact CE1-CE2 3.99Å; F459-F544 HydrophobicContact CE1-CZ 4.41Å; F459-F544 HydrophobicContact CE2-CE2 4.2Å; F459-F544 HydrophobicContact CG-CE2 4.19Å; F459-F544 HydrophobicContact CZ-CE2 4.08Å; F459-F544 HydrophobicContact CZ-CZ 4.3Å; M463-F544 HydrophobicContact CE-CB 4.35Å; M463-F544 HydrophobicContact CE-CD2 4.48Å; M463-F544 HydrophobicContact SD-CD2 3.98Å; W507-F544 WeakPolarHBondContact O-CB 3.12Å; W507-F544 VanDerWaalsContact O-CD2 3.31Å; W507-F544 WeakPolarHBondContact O-CD2 3.43Å; L508-F544 HydrophobicContact CB-CD1 4.47Å; L508-F544 HydrophobicContact CD2-CD1 4.1Å; L508-F544 HydrophobicContact CD2-CD2 3.84Å; L508-F544 HydrophobicContact CD2-CE1 3.64Å; L508-F544 HydrophobicContact CD2-CE2 3.37Å; L508-F544 HydrophobicContact CD2-CG 4.18Å; L508-F544 HydrophobicContact CD2-CZ 3.26Å; D509-F544 HydrophobicContact CB-CB 4.31Å; D509-F544 PolarHBondContact OD2-N 2.91Å; Y511-F544 HydrophobicContact CD2-CB 4.44Å; Y511-F544 AromaticContact CD2-CD1 3.73Å; Y511-F544 HydrophobicContact CD2-CD1 3.73Å; Y511-F544 AromaticContact CG-CD1 3.85Å; Y511-F544 HydrophobicContact CG-CD1 3.85Å; Y511-F544 HydrophobicContact CG-CE1 4.33Å; F544-W546 VanDerWaalsContact C-N 3.31Å; F544-W546 PolarHBondContact O-N 3.41Å; F544-Y547 AromaticContact CD2-CD1 3.96Å; F544-Y547 HydrophobicContact CD2-CD1 3.96Å; F544-Y547 HydrophobicContact CD2-CG 4.42Å; F544-Y547 AromaticContact CE2-CD1 3.48Å; F544-Y547 HydrophobicContact CE2-CD1 3.48Å; F544-Y547 VanDerWaalsContact CE2-CD1 3.48Å; F544-Y547 AromaticContact CE2-CE1 3.86Å; F544-Y547 HydrophobicContact CE2-CE1 3.86Å; F544-Y547 HydrophobicContact CE2-CG 4.28Å; F544-Y547 AromaticContact CZ-CD1 3.87Å; F544-Y547 HydrophobicContact CZ-CD1 3.87Å; F544-Y547 HydrophobicContact CZ-CE1 4.07Å; F544-Y547 WeakPolarHBondContact O-CB 3.33Å; F544-Y547 PolarHBondContact O-N 3.43Å; F544-Y547 VanDerWaalsContact O-N 3.13Å; F544-L548 HydrophobicContact CD1-CD1 3.83Å; F544-L548 HydrophobicContact CD1-CG 3.98Å; F544-L548 HydrophobicContact CE1-CD1 3.67Å; F544-L548 HydrophobicContact CE1-CD2 3.84Å; F544-L548 HydrophobicContact CE1-CG 3.73Å; F544-L548 HydrophobicContact CZ-CD2 4.04Å; F544-L548 HydrophobicContact CZ-CG 4.29Å; F544-L548 WeakPolarHBondContact O-CG 3.31Å; F544-L548 PolarHBondContact O-N 2.75Å
545	D	98	Very high	96.6	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-42.4	170.8	-173.7	74.2	0	0	0	112.3	Y511 S543 Y547 L548 T549	Y511-D545 HydrophobicContact CE2-CB 3.94Å; Y511-D545 PolarHBondContact OH-OD1 2.93Å; S543-D545 PolarHBondContact O-N 3.44Å; D545-Y547 VanDerWaalsContact C-N 3.33Å; D545-Y547 PolarHBondContact O-N 3.47Å; D545-L548 PolarHBondContact O-N 2.74Å; D545-T549 VanDerWaalsContact O-CB 3.29Å; D545-T549 WeakPolarHBondContact O-CB 3.21Å; D545-T549 PolarHBondContact O-N 3.18Å; D545-T549 PolarHBondContact O-OG1 2.84Å
546	W	98.5	Very high	96.3	Very high	71 Å²	71	61.3 Å²	61.3	27%	0.269	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.1	174.9	92.7	0	0	0	111.1	W462 R542 S543 F544 T549 N550 I551	W462-W546 WeakPolarHBondContact O-CZ3 3.39Å; R542-W546 HydrophobicContact CB-CB 4.04Å; R542-W546 HydrophobicContact CB-CD2 3.61Å; R542-W546 HydrophobicContact CB-CE3 3.47Å; R542-W546 VanDerWaalsContact CB-CE3 3.47Å; R542-W546 HydrophobicContact CB-CG 3.85Å; R542-W546 HydrophobicContact CB-CZ3 4.19Å; R542-W546 HydrophobicContact CG-CD2 3.68Å; R542-W546 HydrophobicContact CG-CE3 3.76Å; R542-W546 HydrophobicContact CG-CG 4.13Å; R542-W546 HydrophobicContact CG-CH2 4.42Å; R542-W546 HydrophobicContact CG-CZ2 4.35Å; R542-W546 HydrophobicContact CG-CZ3 4.14Å; S543-W546 WeakPolarHBondContact O-CB 3.43Å; S543-W546 PolarHBondContact O-N 3.3Å; S543-W546 WeakPolarHBondContact OG-CB 3.47Å; S543-W546 PolarHBondContact OG-N 3.21Å; S543-W546 VanDerWaalsContact OG-N 3.13Å; F544-W546 VanDerWaalsContact C-N 3.31Å; F544-W546 PolarHBondContact O-N 3.41Å; W546-T549 PolarHBondContact O-N 3.14Å; W546-N550 HydrophobicContact CZ2-CB 4.35Å; W546-N550 PolarHBondContact NE1-ND2 2.8Å; W546-N550 WeakPolarHBondContact O-CB 3.03Å; W546-N550 PolarHBondContact O-N 2.95Å; W546-N550 PolarHBondContact O-ND2 2.82Å; W546-I551 HydrophobicContact CH2-CD1 3.87Å; W546-I551 HydrophobicContact CH2-CG1 4.18Å; W546-I551 HydrophobicContact CZ3-CD1 4.14Å; W546-I551 HydrophobicContact CZ3-CG1 3.91Å
547	Y	98.6	Very high	96.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-51.4	176.4	168.2	-94.6	0	0	0	111.2	F394 P423 F459 W462 S543 F544 D545 T549 N550 I551 Y552	F394-Y547 AromaticContact CE1-CE1 3.98Å; F394-Y547 HydrophobicContact CE1-CE1 3.98Å; P423-Y547 PolarHBondContact O-OH 3.04Å; F459-Y547 HydrophobicContact CD1-CE1 4.01Å; F459-Y547 HydrophobicContact CD1-CE2 4.16Å; F459-Y547 AromaticContact CD1-CZ 3.76Å; F459-Y547 AromaticContact CE1-CE1 3.88Å; F459-Y547 HydrophobicContact CE1-CE1 3.88Å; F459-Y547 AromaticContact CE1-CZ 3.82Å; W462-Y547 HydrophobicContact CB-CD2 3.77Å; W462-Y547 HydrophobicContact CB-CE2 4.02Å; W462-Y547 AromaticContact CD1-CE2 3.76Å; W462-Y547 HydrophobicContact CG-CD2 4.22Å; W462-Y547 HydrophobicContact CG-CE2 4.05Å; S543-Y547 PolarHBondContact O-N 2.79Å; F544-Y547 AromaticContact CD2-CD1 3.96Å; F544-Y547 HydrophobicContact CD2-CD1 3.96Å; F544-Y547 HydrophobicContact CD2-CG 4.42Å; F544-Y547 AromaticContact CE2-CD1 3.48Å; F544-Y547 HydrophobicContact CE2-CD1 3.48Å; F544-Y547 VanDerWaalsContact CE2-CD1 3.48Å; F544-Y547 AromaticContact CE2-CE1 3.86Å; F544-Y547 HydrophobicContact CE2-CE1 3.86Å; F544-Y547 HydrophobicContact CE2-CG 4.28Å; F544-Y547 AromaticContact CZ-CD1 3.87Å; F544-Y547 HydrophobicContact CZ-CD1 3.87Å; F544-Y547 HydrophobicContact CZ-CE1 4.07Å; F544-Y547 WeakPolarHBondContact O-CB 3.33Å; F544-Y547 PolarHBondContact O-N 3.43Å; F544-Y547 VanDerWaalsContact O-N 3.13Å; D545-Y547 VanDerWaalsContact C-N 3.33Å; D545-Y547 PolarHBondContact O-N 3.47Å; Y547-T549 VanDerWaalsContact C-N 3.3Å; Y547-T549 PolarHBondContact O-N 2.97Å; Y547-N550 PolarHBondContact O-N 2.73Å; Y547-I551 HydrophobicContact CD2-CB 3.8Å; Y547-I551 HydrophobicContact CD2-CG1 3.89Å; Y547-I551 HydrophobicContact CD2-CG2 4.05Å; Y547-I551 HydrophobicContact CE2-CB 3.97Å; Y547-I551 HydrophobicContact CE2-CG1 4.46Å; Y547-I551 HydrophobicContact CE2-CG2 3.74Å; Y547-I551 HydrophobicContact CG-CB 4.44Å; Y547-I551 WeakPolarHBondContact O-CA 3.48Å; Y547-I551 WeakPolarHBondContact O-CB 3.05Å; Y547-I551 PolarHBondContact O-N 2.88Å; Y547-Y552 PolarHBondContact O-N 3.05Å; Y547-Y552 VanDerWaalsContact O-N 3.16Å
548	L	96.9	Very high	95.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-36.4	178.2	-65.7	178.7	0	0	0	112.5	F394 W396 Y511 F544 D545 Y552 P553 L555 I557	F394-L548 HydrophobicContact CZ-CD2 4.4Å; W396-L548 HydrophobicContact CH2-CD1 4.06Å; Y511-L548 HydrophobicContact CD1-CD1 3.64Å; Y511-L548 HydrophobicContact CD2-CD1 4.29Å; Y511-L548 HydrophobicContact CE1-CD1 3.51Å; Y511-L548 HydrophobicContact CE2-CD1 4.14Å; Y511-L548 HydrophobicContact CG-CD1 4.05Å; F544-L548 HydrophobicContact CD1-CD1 3.83Å; F544-L548 HydrophobicContact CD1-CG 3.98Å; F544-L548 HydrophobicContact CE1-CD1 3.67Å; F544-L548 HydrophobicContact CE1-CD2 3.84Å; F544-L548 HydrophobicContact CE1-CG 3.73Å; F544-L548 HydrophobicContact CZ-CD2 4.04Å; F544-L548 HydrophobicContact CZ-CG 4.29Å; F544-L548 WeakPolarHBondContact O-CG 3.31Å; F544-L548 PolarHBondContact O-N 2.75Å; D545-L548 PolarHBondContact O-N 2.74Å; L548-Y552 CarbonylContact O-C 3.54Å; L548-P553 WeakPolarHBondContact O-CA 3.3Å; L548-L555 HydrophobicContact CD2-CD2 3.78Å; L548-I557 HydrophobicContact CB-CD1 3.99Å; L548-I557 HydrophobicContact CD1-CD1 3.71Å; L548-I557 HydrophobicContact CD1-CG1 4.25Å; L548-I557 HydrophobicContact CG-CD1 4.4Å
549	T	95.7	Very high	95.5	Very high	62 Å²	62	46.3 Å²	46.3	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-76.4	-34.9	-177.4	-61	0	0	0	0	113	D545 W546 Y547	D545-T549 VanDerWaalsContact O-CB 3.29Å; D545-T549 WeakPolarHBondContact O-CB 3.21Å; D545-T549 PolarHBondContact O-N 3.18Å; D545-T549 PolarHBondContact O-OG1 2.84Å; W546-T549 PolarHBondContact O-N 3.14Å; Y547-T549 VanDerWaalsContact C-N 3.3Å; Y547-T549 PolarHBondContact O-N 2.97Å
550	N	96.1	Very high	95.3	Very high	50 Å²	50	49.7 Å²	49.7	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-107.9	-27.8	-169.9	-64.9	-89.9	0	0	0	113.9	R408 W546 Y547	R408-N550 PolarHBondContact NH1-O 2.03Å; W546-N550 HydrophobicContact CZ2-CB 4.35Å; W546-N550 PolarHBondContact NE1-ND2 2.8Å; W546-N550 WeakPolarHBondContact O-CB 3.03Å; W546-N550 PolarHBondContact O-N 2.95Å; W546-N550 PolarHBondContact O-ND2 2.82Å; Y547-N550 PolarHBondContact O-N 2.73Å
551	I	95.9	Very high	95.1	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.077	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-45.2	-172.3	-49.1	-54.6	0	0	0	111.2	W462 W546 Y547 P553	W462-I551 HydrophobicContact CB-CG1 4.23Å; W462-I551 HydrophobicContact CD2-CB 4.44Å; W462-I551 HydrophobicContact CD2-CD1 3.84Å; W462-I551 HydrophobicContact CD2-CG1 4.02Å; W462-I551 HydrophobicContact CD2-CG2 3.58Å; W462-I551 VanDerWaalsContact CE2-CG2 3.49Å; W462-I551 HydrophobicContact CE3-CD1 3.38Å; W462-I551 HydrophobicContact CE3-CG1 4.05Å; W462-I551 HydrophobicContact CE3-CG2 4.25Å; W462-I551 HydrophobicContact CG-CD1 4.46Å; W462-I551 HydrophobicContact CG-CG1 4.14Å; W462-I551 HydrophobicContact CG-CG2 3.73Å; W462-I551 HydrophobicContact CH2-CD1 4.48Å; W462-I551 HydrophobicContact CZ2-CG2 4.08Å; W462-I551 HydrophobicContact CZ3-CD1 3.76Å; W546-I551 HydrophobicContact CH2-CD1 3.87Å; W546-I551 HydrophobicContact CH2-CG1 4.18Å; W546-I551 HydrophobicContact CZ3-CD1 4.14Å; W546-I551 HydrophobicContact CZ3-CG1 3.91Å; Y547-I551 HydrophobicContact CD2-CB 3.8Å; Y547-I551 HydrophobicContact CD2-CG1 3.89Å; Y547-I551 HydrophobicContact CD2-CG2 4.05Å; Y547-I551 HydrophobicContact CE2-CB 3.97Å; Y547-I551 HydrophobicContact CE2-CG1 4.46Å; Y547-I551 HydrophobicContact CE2-CG2 3.74Å; Y547-I551 HydrophobicContact CG-CB 4.44Å; Y547-I551 WeakPolarHBondContact O-CA 3.48Å; Y547-I551 WeakPolarHBondContact O-CB 3.05Å; Y547-I551 PolarHBondContact O-N 2.88Å; I551-P553 VanDerWaalsContact C-CD 3.41Å
552	Y	95.1	Very high	94.9	Very high	17 Å²	17	44.3 Å²	44.3	7%	0.067	22%	0.222	C	C	.	.			trans	-130.9	58.1	-178.2	-160.1	-163.9	0	0	0	114.1	F394 H403 P423 Y547 L548 E554 L555	F394-Y552 HydrophobicContact CD1-CD1 4.13Å; F394-Y552 HydrophobicContact CD1-CE1 4.01Å; F394-Y552 AromaticContact CE1-CD1 3.83Å; F394-Y552 HydrophobicContact CE1-CD1 3.83Å; F394-Y552 HydrophobicContact CE1-CE1 4.11Å; H403-Y552 AromaticContact CD2-CZ 3.92Å; H403-Y552 PolarHBondContact CD2-OH 2.88Å; H403-Y552 VanDerWaalsContact CD2-OH 3.26Å; H403-Y552 AromaticContact CE1-CE2 3.88Å; H403-Y552 AromaticContact NE2-CE2 3.39Å; H403-Y552 WeakPolarHBondContact NE2-CE2 3.17Å; H403-Y552 AromaticContact NE2-CZ 3.63Å; H403-Y552 PolarHBondContact NE2-OH 2.59Å; P423-Y552 HydrophobicContact CB-CD1 3.87Å; P423-Y552 HydrophobicContact CB-CD2 4.12Å; P423-Y552 HydrophobicContact CB-CE1 4.44Å; P423-Y552 HydrophobicContact CB-CG 3.7Å; P423-Y552 HydrophobicContact CG-CD1 4.29Å; P423-Y552 HydrophobicContact CG-CD2 3.62Å; P423-Y552 HydrophobicContact CG-CE2 4.1Å; P423-Y552 HydrophobicContact CG-CG 3.72Å; Y547-Y552 PolarHBondContact O-N 3.05Å; Y547-Y552 VanDerWaalsContact O-N 3.16Å; L548-Y552 CarbonylContact O-C 3.54Å; Y552-E554 HydrophobicContact CD2-CB 4.33Å; Y552-E554 HydrophobicContact CE2-CB 4.2Å; Y552-E554 PolarHBondContact O-N 3.46Å; Y552-L555 HydrophobicContact CD1-CB 3.68Å; Y552-L555 HydrophobicContact CD1-CD2 4.16Å; Y552-L555 HydrophobicContact CD1-CG 4.39Å; Y552-L555 HydrophobicContact CD2-CB 4.3Å; Y552-L555 HydrophobicContact CE1-CB 3.72Å; Y552-L555 HydrophobicContact CE1-CD1 4.07Å; Y552-L555 HydrophobicContact CE1-CD2 4.23Å; Y552-L555 HydrophobicContact CE1-CG 4.22Å; Y552-L555 HydrophobicContact CE2-CB 4.36Å; Y552-L555 HydrophobicContact CG-CB 3.97Å; Y552-L555 PolarHBondContact O-N 3.13Å
553	P	91.6	Very high	94.8	Very high	67 Å²	67	37 Å²	37	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-179.1	28.2	-34.8	0	0	0	113.7	L548 I551 L555	L548-P553 WeakPolarHBondContact O-CA 3.3Å; I551-P553 VanDerWaalsContact C-CD 3.41Å; P553-L555 VanDerWaalsContact C-N 3.3Å
554	E	87	Confident	94.7	Very high	90 Å²	90	34.9 Å²	34.9	42%	0.421	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.8	177.3	-60.4	75.2	-160.4	0	0	112.7	T406 Y552 F556	T406-E554 VanDerWaalsContact CG2-CD 3.43Å; T406-E554 HydrophobicContact CG2-CG 3.63Å; Y552-E554 HydrophobicContact CD2-CB 4.33Å; Y552-E554 HydrophobicContact CE2-CB 4.2Å; Y552-E554 PolarHBondContact O-N 3.46Å; E554-F556 PolarHBondContact O-N 2.86Å
555	L	91.2	Very high	94.5	Very high	20 Å²	20	35.6 Å²	35.6	11%	0.105	19%	0.187	C	C	.	.	S	Bend	trans	-64	120.8	173.9	-177.1	62.7	0	0	0	109.5	F394 W396 L548 Y552 P553 I557	F394-L555 HydrophobicContact CE1-CD2 3.76Å; F394-L555 HydrophobicContact CE2-CD2 3.92Å; F394-L555 HydrophobicContact CZ-CD2 3.35Å; F394-L555 VanDerWaalsContact O-CD1 3.29Å; F394-L555 WeakPolarHBondContact O-CD1 3.31Å; W396-L555 HydrophobicContact CH2-CD2 4.46Å; W396-L555 HydrophobicContact CZ2-CD2 3.91Å; W396-L555 HydrophobicContact CZ2-CG 4.48Å; L548-L555 HydrophobicContact CD2-CD2 3.78Å; Y552-L555 HydrophobicContact CD1-CB 3.68Å; Y552-L555 HydrophobicContact CD1-CD2 4.16Å; Y552-L555 HydrophobicContact CD1-CG 4.39Å; Y552-L555 HydrophobicContact CD2-CB 4.3Å; Y552-L555 HydrophobicContact CE1-CB 3.72Å; Y552-L555 HydrophobicContact CE1-CD1 4.07Å; Y552-L555 HydrophobicContact CE1-CD2 4.23Å; Y552-L555 HydrophobicContact CE1-CG 4.22Å; Y552-L555 HydrophobicContact CE2-CB 4.36Å; Y552-L555 HydrophobicContact CG-CB 3.97Å; Y552-L555 PolarHBondContact O-N 3.13Å; P553-L555 VanDerWaalsContact C-N 3.3Å; L555-I557 WeakPolarHBondContact O-CG1 3.36Å; L555-I557 PolarHBondContact O-N 2.75Å
556	F	91.7	Very high	94.3	Very high	25 Å²	25	34 Å²	34	11%	0.11	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-67.5	120.7	174.4	175.4	-107.3	0	0	0	110.7	W396 E554 A561 L606 R614	W396-F556 PolarHBondContact NE1-O 2.77Å; E554-F556 PolarHBondContact O-N 2.86Å; F556-A561 HydrophobicContact CZ-CB 4.01Å; F556-L606 HydrophobicContact CE1-CB 3.92Å; F556-L606 HydrophobicContact CE1-CD1 3.59Å; F556-L606 HydrophobicContact CE1-CG 4.35Å; F556-L606 HydrophobicContact CZ-CB 3.93Å; F556-L606 HydrophobicContact CZ-CD1 4.29Å; F556-R614 HydrophobicContact CD1-CG 4.48Å; F556-R614 HydrophobicContact CE1-CG 4.25Å
557	I	93.4	Very high	94.3	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-100.7	117	-179.6	-51	178.4	0	0	0	109	W396 Y511 F514 L548 L555 S559 K560	W396-I557 HydrophobicContact CZ2-CB 4.48Å; W396-I557 HydrophobicContact CZ2-CG1 4.36Å; W396-I557 HydrophobicContact CZ2-CG2 4.19Å; Y511-I557 HydrophobicContact CD1-CG2 4.11Å; Y511-I557 HydrophobicContact CE1-CD1 4.4Å; Y511-I557 HydrophobicContact CE1-CG2 3.62Å; F514-I557 HydrophobicContact CE2-CG2 4.25Å; L548-I557 HydrophobicContact CB-CD1 3.99Å; L548-I557 HydrophobicContact CD1-CD1 3.71Å; L548-I557 HydrophobicContact CD1-CG1 4.25Å; L548-I557 HydrophobicContact CG-CD1 4.4Å; L555-I557 WeakPolarHBondContact O-CG1 3.36Å; L555-I557 PolarHBondContact O-N 2.75Å; I557-S559 WeakPolarHBondContact CG2-OG 3.42Å; I557-S559 PolarHBondContact O-N 2.05Å; I557-S559 VanDerWaalsContact O-N 3.17Å; I557-K560 HydrophobicContact CB-CB 4.45Å; I557-K560 HydrophobicContact CB-CD 4.26Å; I557-K560 HydrophobicContact CB-CG 4.17Å; I557-K560 HydrophobicContact CD1-CD 4.02Å; I557-K560 HydrophobicContact CG2-CG 4.45Å; I557-K560 WeakPolarHBondContact O-CB 3.42Å; I557-K560 PolarHBondContact O-N 3.24Å
558	P	92.6	Very high	94.2	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.058	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.9	-175.6	-24.3	32	0	0	0	114.9	W396 F514 K560 A561 L606 Y687	W396-P558 VanDerWaalsContact NE1-CD 3.3Å; F514-P558 HydrophobicContact CD1-CB 4Å; F514-P558 HydrophobicContact CD1-CG 3.9Å; F514-P558 HydrophobicContact CE1-CB 3.63Å; F514-P558 HydrophobicContact CE1-CG 3.99Å; F514-P558 HydrophobicContact CG-CG 4.33Å; F514-P558 HydrophobicContact CZ-CB 4.15Å; F514-P558 HydrophobicContact CZ-CG 4.46Å; P558-K560 PolarHBondContact O-N 3.2Å; P558-A561 WeakPolarHBondContact O-CB 3.46Å; P558-A561 PolarHBondContact O-N 2.8Å; P558-A561 VanDerWaalsContact O-N 3.12Å; P558-L606 HydrophobicContact CB-CD1 4.04Å; P558-L606 HydrophobicContact CG-CD1 4.35Å; P558-Y687 CarbonylContact C-O 3.54Å; P558-Y687 HydrophobicContact CB-CD1 3.68Å; P558-Y687 HydrophobicContact CB-CG 4.37Å; P558-Y687 PolarHBondContact O-N 3.38Å
559	S	93.1	Very high	94.3	Very high	24 Å²	24	32.4 Å²	32.4	17%	0.168	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-67.8	-14.7	172.9	46	0	0	0	0	114.1	I557 P686 M688	I557-S559 WeakPolarHBondContact CG2-OG 3.42Å; I557-S559 PolarHBondContact O-N 2.05Å; I557-S559 VanDerWaalsContact O-N 3.17Å; S559-P686 WeakPolarHBondContact O-CB 3.4Å; S559-M688 VanDerWaalsContact CB-SD 3.56Å
560	K	92.6	Very high	94.3	Very high	102 Å²	102	31.1 Å²	31.1	44%	0.443	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-96.1	4.3	174	-62.4	-174	178.9	174.5	0	112.3	I557 P558 P609	I557-K560 HydrophobicContact CB-CB 4.45Å; I557-K560 HydrophobicContact CB-CD 4.26Å; I557-K560 HydrophobicContact CB-CG 4.17Å; I557-K560 HydrophobicContact CD1-CD 4.02Å; I557-K560 HydrophobicContact CG2-CG 4.45Å; I557-K560 WeakPolarHBondContact O-CB 3.42Å; I557-K560 PolarHBondContact O-N 3.24Å; P558-K560 PolarHBondContact O-N 3.2Å; K560-P609 HydrophobicContact CB-CG 4.47Å; K560-P609 WeakPolarHBondContact O-CD 3.12Å; K560-P609 VanDerWaalsContact O-CG 3.23Å; K560-P609 WeakPolarHBondContact O-CG 3.12Å
561	A	94.6	Very high	94.2	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.041	17%	0.171	C	C	.	.			trans	-64	139.5	176.4	0	0	0	0	0	111.2	F556 P558 L606 L607 P686	F556-A561 HydrophobicContact CZ-CB 4.01Å; P558-A561 WeakPolarHBondContact O-CB 3.46Å; P558-A561 PolarHBondContact O-N 2.8Å; P558-A561 VanDerWaalsContact O-N 3.12Å; A561-L606 HydrophobicContact CB-CB 4.4Å; A561-L606 HydrophobicContact CB-CD2 4.2Å; A561-L607 CarbonylContact C-O 3.57Å; A561-L607 VanDerWaalsContact CA-O 3.27Å; A561-L607 WeakPolarHBondContact CA-O 3.48Å; A561-P686 VanDerWaalsContact O-CA 3.27Å; A561-P686 WeakPolarHBondContact O-CA 3.33Å; A561-P686 WeakPolarHBondContact O-CB 3.3Å
562	L	95.7	Very high	94	Very high	90 Å²	90	30.8 Å²	30.8	47%	0.471	18%	0.178	S	C	.	.	S	Bend	trans	-77.3	-27.4	176.3	-57.8	-179.2	0	0	0	111.9	L607 R684	L562-L607 HydrophobicContact CB-CB 4.4Å; L562-L607 HydrophobicContact CB-CD2 3.98Å; L562-L607 HydrophobicContact CB-CG 4.08Å; L562-L607 HydrophobicContact CD1-CD2 4.45Å; L562-L607 HydrophobicContact CD1-CG 4.45Å; L562-L607 PolarHBondContact N-O 3.34Å; L562-R684 CarbonylContact O-C 3.47Å; L562-R684 WeakPolarHBondContact O-CA 3.45Å
563	A	96.5	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.6	174.4	0	0	0	0	0	109.9	L607 F682 N683 K685	A563-L607 HydrophobicContact CB-CB 3.94Å; A563-L607 HydrophobicContact CB-CD2 4.3Å; A563-L607 PolarHBondContact O-N 2.97Å; A563-F682 HydrophobicContact CB-CD1 3.65Å; A563-F682 HydrophobicContact CB-CD2 3.95Å; A563-F682 HydrophobicContact CB-CE1 3.7Å; A563-F682 HydrophobicContact CB-CE2 3.97Å; A563-F682 HydrophobicContact CB-CG 3.78Å; A563-F682 HydrophobicContact CB-CZ 3.85Å; A563-N683 CarbonylContact C-O 3.55Å; A563-N683 WeakPolarHBondContact CA-O 3.46Å; A563-N683 VanDerWaalsContact CB-O 3.3Å; A563-N683 WeakPolarHBondContact CB-O 3.41Å; A563-K685 CarbonylContact C-O 3.55Å
564	S	95.3	Very high	94.2	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	154.5	-178.9	64	0	0	0	0	112.7	W605 L606 N683 K685 P686 Y687	S564-W605 WeakPolarHBondContact CA-O 3.1Å; S564-L606 VanDerWaalsContact CB-CD2 3.46Å; S564-N683 PolarHBondContact N-O 3.2Å; S564-N683 WeakPolarHBondContact O-CB 3.48Å; S564-K685 WeakPolarHBondContact CB-O 3.43Å; S564-K685 PolarHBondContact N-O 3.07Å; S564-K685 VanDerWaalsContact N-O 3.16Å; S564-K685 PolarHBondContact OG-O 2.67Å; S564-P686 PolarHBondContact OG-O 3.06Å; S564-Y687 PolarHBondContact OG-N 3.03Å
565	G	94.1	Very high	94.7	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.6	-154.6	179.7	0	0	0	0	0	111.8	W605	G565-W605 PolarHBondContact N-O 3.13Å; G565-W605 PolarHBondContact O-N 3.3Å
566	D	95.2	Very high	94.9	Very high	37 Å²	37	27.9 Å²	27.9	20%	0.198	17%	0.167	C	C	.	.			trans	-79.8	156.1	175.5	62.1	-53.2	0	0	0	112.7	C575 K598 Q603	D566-C575 PolarHBondContact OD2-SG 3.11Å; D566-K598 IonicContact OD1-NZ 3.44Å; D566-K598 WeakPolarHBondContact OD2-CD 3.43Å; D566-K598 WeakPolarHBondContact OD2-CE 3.37Å; D566-K598 IonicContact OD2-NZ 3.9Å; D566-K598 PolarHBondContact OD2-NZ 2.87Å; D566-Q603 WeakPolarHBondContact CA-O 3.37Å; D566-Q603 HydrophobicContact CB-CB 4.49Å; D566-Q603 WeakPolarHBondContact CB-O 3.33Å
567	I	97.6	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	93.6	176.7	-60	173.5	0	0	0	106.6	C575 L576 W605 I613 F620 I651 W680 F682	I567-C575 VanDerWaalsContact O-CA 3.3Å; I567-C575 WeakPolarHBondContact O-CA 3.38Å; I567-L576 HydrophobicContact CB-CB 4.23Å; I567-L576 HydrophobicContact CB-CD1 3.91Å; I567-L576 HydrophobicContact CB-CG 3.99Å; I567-L576 HydrophobicContact CD1-CD1 3.96Å; I567-L576 HydrophobicContact CG2-CD1 3.62Å; I567-L576 HydrophobicContact CG2-CG 3.9Å; I567-L576 PolarHBondContact O-N 3.44Å; I567-W605 HydrophobicContact CD1-CB 3.71Å; I567-W605 HydrophobicContact CD1-CG 3.68Å; I567-W605 HydrophobicContact CG1-CB 4.11Å; I567-W605 HydrophobicContact CG1-CG 4.11Å; I567-I613 HydrophobicContact CD1-CG2 3.83Å; I567-F620 HydrophobicContact CD1-CZ 4.37Å; I567-I651 HydrophobicContact CD1-CD1 4.3Å; I567-I651 HydrophobicContact CG2-CD1 3.7Å; I567-W680 HydrophobicContact CG2-CB 3.83Å; I567-W680 HydrophobicContact CG2-CD2 4.06Å; I567-W680 HydrophobicContact CG2-CE3 3.72Å; I567-W680 HydrophobicContact CG2-CG 4.14Å; I567-F682 HydrophobicContact CD1-CD1 4.04Å; I567-F682 HydrophobicContact CD1-CE1 3.86Å; I567-F682 HydrophobicContact CD1-CE2 4.43Å; I567-F682 HydrophobicContact CD1-CG 4.39Å; I567-F682 HydrophobicContact CD1-CZ 4.1Å; I567-F682 HydrophobicContact CG1-CB 4.28Å; I567-F682 HydrophobicContact CG1-CD1 3.92Å; I567-F682 HydrophobicContact CG1-CD2 3.75Å; I567-F682 HydrophobicContact CG1-CE1 4.07Å; I567-F682 HydrophobicContact CG1-CE2 3.92Å; I567-F682 HydrophobicContact CG1-CG 3.76Å; I567-F682 HydrophobicContact CG1-CZ 4.09Å
568	E	97.3	Very high	95.1	Very high	37 Å²	37	27.5 Å²	27.5	17%	0.173	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.9	-175	175.5	-174	137.5	0	0	110.7	K598 W680 K681	E568-K598 IonicContact OE2-NZ 2.93Å; E568-K598 PolarHBondContact OE2-NZ 2.83Å; E568-W680 CarbonylContact O-C 3.48Å; E568-W680 VanDerWaalsContact O-CA 3.3Å; E568-W680 WeakPolarHBondContact O-CA 3.35Å; E568-K681 HydrophobicContact CB-CB 4.26Å; E568-K681 PolarHBondContact N-O 2.83Å; E568-K681 PolarHBondContact O-N 2.93Å; E568-K681 IonicContact OE1-NZ 3.79Å; E568-K681 PolarHBondContact OE1-NZ 3.11Å
569	S	97.2	Very high	95	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.7	175.2	-174.4	0	0	0	0	111.5	A571 H574	S569-A571 PolarHBondContact O-N 2.84Å; S569-A571 PolarHBondContact OG-N 2.85Å; S569-A571 VanDerWaalsContact OG-N 3.16Å; S569-H574 PolarHBondContact N-O 2.93Å
570	A	96.3	Very high	94.5	Very high	36 Å²	36	31.9 Å²	31.9	30%	0.298	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.2	169.3	0	0	0	0	0	112.9	Q679	A570-Q679 HydrophobicContact CB-CB 3.65Å; A570-Q679 WeakPolarHBondContact CB-O 3.39Å; A570-Q679 PolarHBondContact N-O 2.9Å
571	A	94.6	Very high	94	Very high	35 Å²	35	28 Å²	28	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.9	-178	0	0	0	0	0	114.7	S569 I660 K677	S569-A571 PolarHBondContact O-N 2.84Å; S569-A571 PolarHBondContact OG-N 2.85Å; S569-A571 VanDerWaalsContact OG-N 3.16Å; A571-I660 HydrophobicContact CB-CG2 4.16Å; A571-K677 HydrophobicContact CB-CG 4.16Å
572	G	90.6	Very high	92.8	Very high	22 Å²	22	37.3 Å²	37.3	23%	0.227	21%	0.213	C	C	.	.	S	Bend	trans	167.9	174.6	179.9	0	0	0	0	0	112.9	H574	G572-H574 PolarHBondContact O-N 3.23Å
573	P	93.9	Very high	91	Very high	95 Å²	95	38.1 Å²	38.1	62%	0.617	22%	0.218	S	C	*	.	S	Bend	trans	-76.3	49.9	-174.9	34.5	-37.7	0	0	0	112.7	P595 C596	P573-P595 WeakPolarHBondContact O-CA 3.19Å; P573-C596 PolarHBondContact O-N 3.19Å; P573-C596 VanDerWaalsContact O-N 3.09Å
574	H	97	Very high	89	Confident	39 Å²	39	42 Å²	42	18%	0.181	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.5	-177.1	-64.1	-59.6	0	0	0	110.7	S569 G572 I593 W594 I660	S569-H574 PolarHBondContact N-O 2.93Å; G572-H574 PolarHBondContact O-N 3.23Å; H574-I593 HydrophobicContact CB-CB 4.3Å; H574-I593 HydrophobicContact CB-CD1 4.37Å; H574-W594 CarbonylContact C-O 3.58Å; H574-W594 WeakPolarHBondContact CA-O 3.23Å; H574-I660 HydrophobicContact CB-CD1 3.83Å
575	C	97.5	Very high	87.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.6	179.4	-78.9	0	0	0	0	110.1	D566 I567 D577 I593 W594 C596 Q603	D566-C575 PolarHBondContact OD2-SG 3.11Å; I567-C575 VanDerWaalsContact O-CA 3.3Å; I567-C575 WeakPolarHBondContact O-CA 3.38Å; C575-D577 PolarHBondContact O-N 2.94Å; C575-I593 VanDerWaalsContact O-CA 3.28Å; C575-I593 WeakPolarHBondContact O-CA 3.31Å; C575-W594 PolarHBondContact N-O 3.08Å; C575-W594 PolarHBondContact O-N 2.76Å; C575-C596 VanDerWaalsContact CA-SG 3.59Å; C575-C596 HydrophobicContact CB-CB 4.06Å; C575-C596 WeakPolarHBondContact CB-SG 3.49Å; C575-C596 PolarHBondContact N-SG 3.48Å; C575-C596 WeakPolarHBondContact SG-CB 3.41Å; C575-C596 CovalentContact SG-SG 2.05Å; C575-C596 PolarHBondContact SG-SG 3.31Å; C575-Q603 HydrophobicContact CB-CG 4.26Å
576	L	97.2	Very high	85.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	123.3	167.3	-62.4	-173.1	0	0	0	109.3	I567 I591 I593 W605 F620 L658 V667 W680	I567-L576 HydrophobicContact CB-CB 4.23Å; I567-L576 HydrophobicContact CB-CD1 3.91Å; I567-L576 HydrophobicContact CB-CG 3.99Å; I567-L576 HydrophobicContact CD1-CD1 3.96Å; I567-L576 HydrophobicContact CG2-CD1 3.62Å; I567-L576 HydrophobicContact CG2-CG 3.9Å; I567-L576 PolarHBondContact O-N 3.44Å; L576-I591 HydrophobicContact CB-CG2 4.21Å; L576-I591 HydrophobicContact CD2-CG2 4.3Å; L576-I593 HydrophobicContact CD2-CG2 4.36Å; L576-W605 PolarHBondContact O-NE1 3.3Å; L576-F620 HydrophobicContact CD1-CE2 3.77Å; L576-F620 HydrophobicContact CD1-CZ 3.69Å; L576-L658 HydrophobicContact CD1-CD2 3.83Å; L576-L658 HydrophobicContact CD2-CD2 4.42Å; L576-V667 HydrophobicContact CD2-CB 4.48Å; L576-V667 HydrophobicContact CD2-CG1 3.54Å; L576-V667 HydrophobicContact CD2-CG2 4.39Å; L576-W680 HydrophobicContact CD2-CE3 4.32Å; L576-W680 HydrophobicContact CD2-CH2 3.52Å; L576-W680 HydrophobicContact CD2-CZ2 4.36Å; L576-W680 HydrophobicContact CD2-CZ3 3.49Å; L576-W680 VanDerWaalsContact CD2-CZ3 3.49Å; L576-W680 HydrophobicContact CG-CE3 4.22Å; L576-W680 HydrophobicContact CG-CH2 4.3Å; L576-W680 HydrophobicContact CG-CZ3 3.81Å
577	D	95.6	Very high	83.5	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.8	-172.9	-164.7	-52.4	0	0	0	109.7	C575 K592 W594 N602 Q603	C575-D577 PolarHBondContact O-N 2.94Å; D577-K592 PolarHBondContact N-O 3.28Å; D577-K592 PolarHBondContact O-N 3.48Å; D577-W594 HydrophobicContact CB-CB 3.55Å; D577-W594 WeakPolarHBondContact OD2-CB 3.45Å; D577-N602 VanDerWaalsContact OD1-CB 3.3Å; D577-N602 WeakPolarHBondContact OD1-CB 3.15Å; D577-Q603 HydrophobicContact CB-CG 4.02Å; D577-Q603 WeakPolarHBondContact OD2-CG 3.2Å; D577-Q603 PolarHBondContact OD2-NE2 3Å
578	S	93.2	Very high	82.1	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.014	37%	0.368	C	S	.	.			trans	-159.9	137.9	172.9	-164.9	0	0	0	0	110.2	T589 N602 R615	S578-T589 VanDerWaalsContact OG-CG2 3.26Å; S578-T589 WeakPolarHBondContact OG-CG2 3.37Å; S578-N602 PolarHBondContact N-O 2.73Å; S578-R615 VanDerWaalsContact O-CZ 3.28Å; S578-R615 PolarHBondContact O-NH1 2.59Å; S578-R615 PolarHBondContact O-NH2 2.79Å
579	P	90.3	Very high	81.5	Confident	69 Å²	69	68.6 Å²	68.6	45%	0.448	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-67.7	156.9	164.8	30.8	-34.2	0	0	0	110.6	T589 L631	P579-T589 HydrophobicContact CG-CG2 4.22Å; P579-T589 VanDerWaalsContact O-CG2 3.29Å; P579-T589 WeakPolarHBondContact O-CG2 3.21Å; P579-L631 WeakPolarHBondContact O-CD1 3.19Å
580	T	83	Confident	81.2	Confident	56 Å²	56	71.1 Å²	71.1	34%	0.344	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-72.7	145.8	167	44.3	0	0	0	0	109.1	R582 Y618	T580-R582 PolarHBondContact O-N 3.41Å; T580-Y618 HydrophobicContact CG2-CD2 3.71Å; T580-Y618 HydrophobicContact CG2-CE2 4.21Å; T580-Y618 HydrophobicContact CG2-CG 4.45Å
581	P	80.9	Confident	81.1	Confident	20 Å²	20	69.4 Å²	69.4	13%	0.13	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-52.9	136.6	168.8	-23.3	32.5	0	0	0	111	Y618 L631	P581-Y618 HydrophobicContact CB-CE1 3.81Å; P581-Y618 HydrophobicContact CG-CD1 3.73Å; P581-Y618 HydrophobicContact CG-CE1 3.47Å; P581-Y618 VanDerWaalsContact CG-CE1 3.47Å; P581-Y618 PolarHBondContact O-OH 3.42Å; P581-L631 HydrophobicContact CG-CB 4.29Å
582	R	70.6	Confident	81	Confident	201 Å²	201	73.8 Å²	73.8	76%	0.758	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-75.8	144.9	169.3	-73.4	-176.8	174.3	-173.9	-2.6	108.9	T580 G584 D585	T580-R582 PolarHBondContact O-N 3.41Å; R582-G584 PolarHBondContact O-N 2.99Å; R582-D585 HydrophobicContact CB-CB 4.21Å; R582-D585 VanDerWaalsContact O-CB 3.31Å; R582-D585 WeakPolarHBondContact O-CB 3.38Å; R582-D585 PolarHBondContact O-N 2.95Å
583	N	57.9	Low	81.3	Confident	107 Å²	107	73 Å²	73	57%	0.572	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.9	174.8	-81.9	-12	0	0	0	110.1	D585	N583-D585 VanDerWaalsContact C-N 3.29Å; N583-D585 PolarHBondContact O-N 3.21Å
584	G	53	Low	81.4	Confident	81 Å²	81	76.2 Å²	76.2	84%	0.835	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-9.9	-177.6	0	0	0	0	0	115.4	R582 K586	R582-G584 PolarHBondContact O-N 2.99Å; G584-K586 PolarHBondContact O-N 3.1Å; G584-K586 VanDerWaalsContact O-N 3.09Å
585	D	57.2	Low	81.4	Confident	82 Å²	82	77.8 Å²	77.8	44%	0.439	39%	0.385	S	S	.	.			trans	-78.8	99.2	179.3	-133.5	-17.3	0	0	0	109.3	R582 N583 K587	R582-D585 HydrophobicContact CB-CB 4.21Å; R582-D585 VanDerWaalsContact O-CB 3.31Å; R582-D585 WeakPolarHBondContact O-CB 3.38Å; R582-D585 PolarHBondContact O-N 2.95Å; N583-D585 VanDerWaalsContact C-N 3.29Å; N583-D585 PolarHBondContact O-N 3.21Å; D585-K587 PolarHBondContact O-N 3.29Å
586	K	54.2	Low	81.3	Confident	203 Å²	203	79.3 Å²	79.3	88%	0.883	40%	0.395	S	S	*	.			trans	-64.5	-6.7	173.8	-64.9	-173.4	179.1	-175.4	0	112.5	G584 R588	G584-K586 PolarHBondContact O-N 3.1Å; G584-K586 VanDerWaalsContact O-N 3.09Å; K586-R588 PolarHBondContact O-N 3.03Å
587	K	58.5	Low	81	Confident	163 Å²	163	82.2 Å²	82.2	71%	0.709	41%	0.408	S	S	*	.	S	Bend	trans	-69.2	124.6	-180	-72.8	-177.8	-179.4	174.5	0	110.1	D585 T589	D585-K587 PolarHBondContact O-N 3.29Å; K587-T589 PolarHBondContact O-N 3.18Å; K587-T589 VanDerWaalsContact O-N 3.08Å
588	R	67.7	Low	80.7	Confident	179 Å²	179	85.6 Å²	85.6	68%	0.675	42%	0.422	S	S	*	.			trans	-63.9	105.7	176.3	-70.9	-175.3	-176.6	168.7	6.7	109.9	K586 V590 M624	K586-R588 PolarHBondContact O-N 3.03Å; R588-V590 PolarHBondContact O-N 3.03Å; R588-M624 VanDerWaalsContact C-CE 3.47Å; R588-M624 HydrophobicContact CB-CE 3.33Å; R588-M624 HydrophobicContact CG-CE 3.8Å; R588-M624 PolarHBondContact NH1-O 2.87Å
589	T	85.9	Confident	80.2	Confident	26 Å²	26	91.6 Å²	91.6	16%	0.16	45%	0.45	C	S	.	.			trans	-77.3	103.1	173.9	-56.5	0	0	0	0	110.4	S578 P579 K587 G630 L631	S578-T589 VanDerWaalsContact OG-CG2 3.26Å; S578-T589 WeakPolarHBondContact OG-CG2 3.37Å; P579-T589 HydrophobicContact CG-CG2 4.22Å; P579-T589 VanDerWaalsContact O-CG2 3.29Å; P579-T589 WeakPolarHBondContact O-CG2 3.21Å; K587-T589 PolarHBondContact O-N 3.18Å; K587-T589 VanDerWaalsContact O-N 3.08Å; T589-G630 CarbonylContact O-C 3.53Å; T589-G630 WeakPolarHBondContact O-CA 3.46Å; T589-L631 PolarHBondContact O-N 3.43Å
590	V	90.2	Very high	80	Confident	54 Å²	54	89.3 Å²	89.3	33%	0.327	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-88.5	136.2	178.2	-179	0	0	0	0	109.6	R588 I629	R588-V590 PolarHBondContact O-N 3.03Å; V590-I629 WeakPolarHBondContact CG1-O 3.41Å
591	I	93.8	Very high	80.1	Confident	1 Å²	1	89 Å²	89	1%	0.005	45%	0.447	C	S	.	.			trans	-72.8	133.2	176	-64.8	152	0	0	0	109.1	L576 W605 F620 I629 L631 V667	L576-I591 HydrophobicContact CB-CG2 4.21Å; L576-I591 HydrophobicContact CD2-CG2 4.3Å; I591-W605 HydrophobicContact CG1-CH2 4.5Å; I591-F620 HydrophobicContact CD1-CD1 3.32Å; I591-F620 HydrophobicContact CD1-CD2 4.15Å; I591-F620 HydrophobicContact CD1-CE1 3.31Å; I591-F620 HydrophobicContact CD1-CE2 4.15Å; I591-F620 HydrophobicContact CD1-CG 3.75Å; I591-F620 HydrophobicContact CD1-CZ 3.76Å; I591-F620 HydrophobicContact CG1-CE1 4.26Å; I591-I629 HydrophobicContact CD1-CB 4.17Å; I591-I629 HydrophobicContact CD1-CG2 3.62Å; I591-I629 PolarHBondContact N-O 2.83Å; I591-L631 HydrophobicContact CD1-CD2 3.95Å; I591-L631 HydrophobicContact CD1-CG 4.27Å; I591-L631 HydrophobicContact CG1-CD2 4.23Å; I591-L631 HydrophobicContact CG1-CG 4.07Å; I591-V667 HydrophobicContact CG2-CG2 4.34Å
592	K	94.1	Very high	80.6	Confident	126 Å²	126	91.4 Å²	91.4	55%	0.548	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	-172.1	178.7	-66.6	-174.3	-179.1	-179.2	0	109.8	D577	D577-K592 PolarHBondContact N-O 3.28Å; D577-K592 PolarHBondContact O-N 3.48Å
593	I	96.1	Very high	81.8	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.026	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	150.4	167.9	61.8	172.2	0	0	0	110.6	H574 C575 L576 I660 V667	H574-I593 HydrophobicContact CB-CB 4.3Å; H574-I593 HydrophobicContact CB-CD1 4.37Å; C575-I593 VanDerWaalsContact O-CA 3.28Å; C575-I593 WeakPolarHBondContact O-CA 3.31Å; L576-I593 HydrophobicContact CD2-CG2 4.36Å; I593-I660 HydrophobicContact CB-CD1 4.47Å; I593-I660 HydrophobicContact CD1-CD1 3.67Å; I593-I660 HydrophobicContact CD1-CG1 3.7Å; I593-I660 HydrophobicContact CG2-CD1 3.89Å; I593-I660 HydrophobicContact CG2-CG1 3.88Å; I593-V667 HydrophobicContact CG2-CG1 3.51Å
594	W	95.8	Very high	83.5	Confident	164 Å²	164	78.7 Å²	78.7	62%	0.621	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.6	171.4	-159.5	-107.8	0	0	0	109.7	H574 C575 D577 C596	H574-W594 CarbonylContact C-O 3.58Å; H574-W594 WeakPolarHBondContact CA-O 3.23Å; C575-W594 PolarHBondContact N-O 3.08Å; C575-W594 PolarHBondContact O-N 2.76Å; D577-W594 HydrophobicContact CB-CB 3.55Å; D577-W594 WeakPolarHBondContact OD2-CB 3.45Å; W594-C596 PolarHBondContact O-N 2.87Å
595	P	96.2	Very high	85.5	Confident	71 Å²	71	74.9 Å²	74.9	46%	0.461	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	133.2	170.1	-29.8	36.9	0	0	0	112.1	P573 H597 Q603	P573-P595 WeakPolarHBondContact O-CA 3.19Å; P595-H597 PolarHBondContact O-N 2.66Å; P595-Q603 PolarHBondContact O-NE2 3.49Å
596	C	95.8	Very high	87.4	Confident	32 Å²	32	71.4 Å²	71.4	22%	0.216	35%	0.346	C	S	.	.			trans	-65	117.1	-179.8	-65.8	0	0	0	0	110.4	P573 C575 W594	P573-C596 PolarHBondContact O-N 3.19Å; P573-C596 VanDerWaalsContact O-N 3.09Å; C575-C596 VanDerWaalsContact CA-SG 3.59Å; C575-C596 HydrophobicContact CB-CB 4.06Å; C575-C596 WeakPolarHBondContact CB-SG 3.49Å; C575-C596 PolarHBondContact N-SG 3.48Å; C575-C596 WeakPolarHBondContact SG-CB 3.41Å; C575-C596 CovalentContact SG-SG 2.05Å; C575-C596 PolarHBondContact SG-SG 3.31Å; W594-C596 PolarHBondContact O-N 2.87Å
597	H	91.9	Very high	89.4	Confident	61 Å²	61	62 Å²	62	28%	0.282	31%	0.306	S	S	.	.			trans	-104.5	-10.8	-179.7	59.8	75.7	0	0	0	113.3	P595 Q599 G600 Q603	P595-H597 PolarHBondContact O-N 2.66Å; H597-Q599 VanDerWaalsContact ND1-CB 3.35Å; H597-Q599 WeakPolarHBondContact ND1-CB 3.09Å; H597-Q599 PolarHBondContact ND1-N 3.47Å; H597-Q599 VanDerWaalsContact ND1-N 3.17Å; H597-Q599 PolarHBondContact ND1-OE1 3.49Å; H597-Q599 WeakPolarHBondContact O-CG 3.47Å; H597-Q599 PolarHBondContact O-N 3.1Å; H597-Q599 VanDerWaalsContact O-N 3.08Å; H597-G600 PolarHBondContact CE1-O 3.29Å; H597-G600 VanDerWaalsContact CE1-O 3.27Å; H597-Q603 PolarHBondContact CD2-NE2 2.97Å; H597-Q603 PolarHBondContact CD2-OE1 3.24Å; H597-Q603 VanDerWaalsContact CD2-OE1 3.27Å; H597-Q603 WeakPolarHBondContact NE2-CG 3.48Å; H597-Q603 PolarHBondContact NE2-NE2 3.49Å; H597-Q603 PolarHBondContact NE2-OE1 3.41Å
598	K	87.9	Confident	91.1	Very high	95 Å²	95	54.3 Å²	54.3	41%	0.413	27%	0.272	S	S	.	.			trans	55.2	24.6	176.8	-51.7	-64.6	-173.5	-178.3	0	114.7	D566 E568 F697	D566-K598 IonicContact OD1-NZ 3.44Å; D566-K598 WeakPolarHBondContact OD2-CD 3.43Å; D566-K598 WeakPolarHBondContact OD2-CE 3.37Å; D566-K598 IonicContact OD2-NZ 3.9Å; D566-K598 PolarHBondContact OD2-NZ 2.87Å; E568-K598 IonicContact OE2-NZ 2.93Å; E568-K598 PolarHBondContact OE2-NZ 2.83Å; K598-F697 VanDerWaalsContact O-CD1 3.3Å; K598-F697 WeakPolarHBondContact O-CD1 3.29Å; K598-F697 WeakPolarHBondContact O-CE1 3.48Å
599	Q	83.3	Confident	92.3	Very high	127 Å²	127	49 Å²	49	59%	0.593	26%	0.261	S	S	*	.	S	Bend	trans	-100.8	11.4	177.9	-59.7	155.8	-10	0	0	112.4	H597	H597-Q599 VanDerWaalsContact ND1-CB 3.35Å; H597-Q599 WeakPolarHBondContact ND1-CB 3.09Å; H597-Q599 PolarHBondContact ND1-N 3.47Å; H597-Q599 VanDerWaalsContact ND1-N 3.17Å; H597-Q599 PolarHBondContact ND1-OE1 3.49Å; H597-Q599 WeakPolarHBondContact O-CG 3.47Å; H597-Q599 PolarHBondContact O-N 3.1Å; H597-Q599 VanDerWaalsContact O-N 3.08Å
600	G	85.7	Confident	92.5	Very high	21 Å²	21	52.1 Å²	52.1	22%	0.216	28%	0.276	C	S	.	.			trans	68.5	-130.1	-173.2	0	0	0	0	0	112.5	H597 N602 Q603	H597-G600 PolarHBondContact CE1-O 3.29Å; H597-G600 VanDerWaalsContact CE1-O 3.27Å; G600-N602 PolarHBondContact O-N 3.31Å; G600-Q603 PolarHBondContact O-N 2.72Å; G600-Q603 VanDerWaalsContact O-N 3.16Å
601	G	86	Confident	92.7	Very high	51 Å²	51	51.6 Å²	51.6	53%	0.526	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	57.7	-120.9	176.9	0	0	0	0	0	113.4	Q603 F604 R615	G601-Q603 PolarHBondContact O-N 2.66Å; G601-Q603 VanDerWaalsContact O-N 3.14Å; G601-F604 PolarHBondContact O-N 3.41Å; G601-F604 VanDerWaalsContact O-N 3.16Å; G601-R615 PolarHBondContact O-NH1 2.78Å; G601-R615 VanDerWaalsContact O-NH1 3.17Å
602	N	91.7	Very high	92.8	Very high	69 Å²	69	52 Å²	52	37%	0.369	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.3	-177.5	-72.4	-6	0	0	0	114.1	D577 S578 G600 R615	D577-N602 VanDerWaalsContact OD1-CB 3.3Å; D577-N602 WeakPolarHBondContact OD1-CB 3.15Å; S578-N602 PolarHBondContact N-O 2.73Å; G600-N602 PolarHBondContact O-N 3.31Å; N602-R615 PolarHBondContact O-NH1 3.33Å
603	Q	94.5	Very high	92.9	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-103	3.9	-179.9	-63.7	-176.2	-3.4	0	0	113.4	D566 C575 D577 P595 H597 G600 G601 W605	D566-Q603 WeakPolarHBondContact CA-O 3.37Å; D566-Q603 HydrophobicContact CB-CB 4.49Å; D566-Q603 WeakPolarHBondContact CB-O 3.33Å; C575-Q603 HydrophobicContact CB-CG 4.26Å; D577-Q603 HydrophobicContact CB-CG 4.02Å; D577-Q603 WeakPolarHBondContact OD2-CG 3.2Å; D577-Q603 PolarHBondContact OD2-NE2 3Å; P595-Q603 PolarHBondContact O-NE2 3.49Å; H597-Q603 PolarHBondContact CD2-NE2 2.97Å; H597-Q603 PolarHBondContact CD2-OE1 3.24Å; H597-Q603 VanDerWaalsContact CD2-OE1 3.27Å; H597-Q603 WeakPolarHBondContact NE2-CG 3.48Å; H597-Q603 PolarHBondContact NE2-NE2 3.49Å; H597-Q603 PolarHBondContact NE2-OE1 3.41Å; G600-Q603 PolarHBondContact O-N 2.72Å; G600-Q603 VanDerWaalsContact O-N 3.16Å; G601-Q603 PolarHBondContact O-N 2.66Å; G601-Q603 VanDerWaalsContact O-N 3.14Å; Q603-W605 VanDerWaalsContact O-CD1 3.24Å; Q603-W605 PolarHBondContact O-NE1 2.04Å
604	F	93.8	Very high	92.8	Very high	40 Å²	40	47.3 Å²	47.3	18%	0.175	25%	0.252	C	S	.	.			trans	-92.3	128.1	-179	-171.9	-92.7	0	0	0	112.2	G601 L606 R615 Y687	G601-F604 PolarHBondContact O-N 3.41Å; G601-F604 VanDerWaalsContact O-N 3.16Å; F604-L606 HydrophobicContact CD1-CG 4.5Å; F604-L606 HydrophobicContact CE1-CD1 4.02Å; F604-L606 HydrophobicContact CE1-CD2 3.6Å; F604-L606 HydrophobicContact CE1-CG 3.68Å; F604-L606 HydrophobicContact CZ-CD2 3.7Å; F604-L606 HydrophobicContact CZ-CG 4.3Å; F604-R615 WeakPolarHBondContact O-CD 3.35Å; F604-Y687 HydrophobicContact CE1-CG 4.48Å; F604-Y687 AromaticContact CE2-CD2 3.92Å; F604-Y687 HydrophobicContact CE2-CD2 3.92Å; F604-Y687 AromaticContact CE2-CE2 3.86Å; F604-Y687 HydrophobicContact CE2-CE2 3.86Å; F604-Y687 HydrophobicContact CZ-CD1 4.13Å; F604-Y687 AromaticContact CZ-CD2 3.43Å; F604-Y687 HydrophobicContact CZ-CD2 3.43Å; F604-Y687 VanDerWaalsContact CZ-CD2 3.43Å; F604-Y687 HydrophobicContact CZ-CE1 4.26Å; F604-Y687 AromaticContact CZ-CE2 3.59Å; F604-Y687 HydrophobicContact CZ-CE2 3.59Å; F604-Y687 AromaticContact CZ-CG 3.7Å; F604-Y687 HydrophobicContact CZ-CG 3.7Å; F604-Y687 AromaticContact CZ-CZ 3.99Å
605	W	95.9	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.4	-177.2	-53.5	103.3	0	0	0	111.5	S564 G565 I567 L576 I591 Q603 I613 R615 F620 L631 F682	S564-W605 WeakPolarHBondContact CA-O 3.1Å; G565-W605 PolarHBondContact N-O 3.13Å; G565-W605 PolarHBondContact O-N 3.3Å; I567-W605 HydrophobicContact CD1-CB 3.71Å; I567-W605 HydrophobicContact CD1-CG 3.68Å; I567-W605 HydrophobicContact CG1-CB 4.11Å; I567-W605 HydrophobicContact CG1-CG 4.11Å; L576-W605 PolarHBondContact O-NE1 3.3Å; I591-W605 HydrophobicContact CG1-CH2 4.5Å; Q603-W605 VanDerWaalsContact O-CD1 3.24Å; Q603-W605 PolarHBondContact O-NE1 2.04Å; W605-I613 HydrophobicContact CB-CG2 4.17Å; W605-R615 HydrophobicContact CE3-CB 4.06Å; W605-R615 HydrophobicContact CZ3-CB 4.04Å; W605-F620 AromaticContact CD2-CE1 3.88Å; W605-F620 HydrophobicContact CD2-CE1 3.88Å; W605-F620 HydrophobicContact CD2-CZ 4.21Å; W605-F620 HydrophobicContact CE3-CD1 4.38Å; W605-F620 AromaticContact CE3-CE1 3.55Å; W605-F620 HydrophobicContact CE3-CE1 3.55Å; W605-F620 HydrophobicContact CE3-CZ 4.32Å; W605-F620 AromaticContact CH2-CE1 3.75Å; W605-F620 HydrophobicContact CH2-CE1 3.75Å; W605-F620 HydrophobicContact CZ2-CE1 4.08Å; W605-F620 HydrophobicContact CZ2-CZ 4.45Å; W605-F620 HydrophobicContact CZ3-CD1 4.21Å; W605-F620 AromaticContact CZ3-CE1 3.51Å; W605-F620 HydrophobicContact CZ3-CE1 3.51Å; W605-L631 HydrophobicContact CH2-CD1 4.04Å; W605-L631 HydrophobicContact CH2-CD2 3.94Å; W605-L631 HydrophobicContact CH2-CG 4.43Å; W605-L631 HydrophobicContact CZ3-CD1 4.3Å; W605-L631 HydrophobicContact CZ3-CD2 3.7Å; W605-F682 HydrophobicContact CB-CE2 4.32Å; W605-F682 HydrophobicContact CB-CZ 4Å
606	L	96.4	Very high	91.9	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.052	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.1	175.9	-61.8	172.7	0	0	0	108.8	F556 P558 A561 S564 F604 I613 R614 Y687	F556-L606 HydrophobicContact CE1-CB 3.92Å; F556-L606 HydrophobicContact CE1-CD1 3.59Å; F556-L606 HydrophobicContact CE1-CG 4.35Å; F556-L606 HydrophobicContact CZ-CB 3.93Å; F556-L606 HydrophobicContact CZ-CD1 4.29Å; P558-L606 HydrophobicContact CB-CD1 4.04Å; P558-L606 HydrophobicContact CG-CD1 4.35Å; A561-L606 HydrophobicContact CB-CB 4.4Å; A561-L606 HydrophobicContact CB-CD2 4.2Å; S564-L606 VanDerWaalsContact CB-CD2 3.46Å; F604-L606 HydrophobicContact CD1-CG 4.5Å; F604-L606 HydrophobicContact CE1-CD1 4.02Å; F604-L606 HydrophobicContact CE1-CD2 3.6Å; F604-L606 HydrophobicContact CE1-CG 3.68Å; F604-L606 HydrophobicContact CZ-CD2 3.7Å; F604-L606 HydrophobicContact CZ-CG 4.3Å; L606-I613 WeakPolarHBondContact O-CA 3.47Å; L606-R614 HydrophobicContact CB-CG 4.26Å; L606-R614 PolarHBondContact N-O 3.25Å; L606-R614 PolarHBondContact O-N 2.89Å; L606-Y687 HydrophobicContact CD2-CG 4.23Å
607	L	96.8	Very high	91.3	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114	170.1	179.4	60.7	0	0	0	109.5	A561 L562 A563 E612 I613 Y645 F682	A561-L607 CarbonylContact C-O 3.57Å; A561-L607 VanDerWaalsContact CA-O 3.27Å; A561-L607 WeakPolarHBondContact CA-O 3.48Å; L562-L607 HydrophobicContact CB-CB 4.4Å; L562-L607 HydrophobicContact CB-CD2 3.98Å; L562-L607 HydrophobicContact CB-CG 4.08Å; L562-L607 HydrophobicContact CD1-CD2 4.45Å; L562-L607 HydrophobicContact CD1-CG 4.45Å; L562-L607 PolarHBondContact N-O 3.34Å; A563-L607 HydrophobicContact CB-CB 3.94Å; A563-L607 HydrophobicContact CB-CD2 4.3Å; A563-L607 PolarHBondContact O-N 2.97Å; L607-E612 CarbonylContact C-O 3.55Å; L607-E612 WeakPolarHBondContact CA-O 3.47Å; L607-I613 HydrophobicContact CD1-CG1 3.86Å; L607-Y645 HydrophobicContact CD2-CD1 4.48Å; L607-F682 HydrophobicContact CB-CE1 3.77Å; L607-F682 HydrophobicContact CB-CZ 4.25Å
608	S	94.3	Very high	91.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.214	C	C	.	.			trans	-77.5	155.9	178.8	84.9	0	0	0	0	112.4	N610 N611 E612	S608-N610 PolarHBondContact O-N 3.27Å; S608-N610 VanDerWaalsContact O-N 3.11Å; S608-N610 PolarHBondContact OG-N 3.23Å; S608-N611 PolarHBondContact O-N 2.88Å; S608-E612 PolarHBondContact N-O 2.86Å; S608-E612 VanDerWaalsContact OG-CB 3.29Å; S608-E612 WeakPolarHBondContact OG-CB 3.47Å; S608-E612 PolarHBondContact OG-N 3.23Å; S608-E612 VanDerWaalsContact OG-N 3.12Å; S608-E612 PolarHBondContact OG-OE2 2.75Å
609	P	92	Very high	91.4	Very high	68 Å²	68	35 Å²	35	44%	0.442	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.9	169.8	-27.4	36.3	0	0	0	114.1	K560 N611	K560-P609 HydrophobicContact CB-CG 4.47Å; K560-P609 WeakPolarHBondContact O-CD 3.12Å; K560-P609 VanDerWaalsContact O-CG 3.23Å; K560-P609 WeakPolarHBondContact O-CG 3.12Å; P609-N611 PolarHBondContact O-N 3.49Å
610	N	89.7	Confident	92	Very high	90 Å²	90	29 Å²	29	48%	0.481	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	6.8	176.3	-72	-22.6	0	0	0	113.5	S608 E612	S608-N610 PolarHBondContact O-N 3.27Å; S608-N610 VanDerWaalsContact O-N 3.11Å; S608-N610 PolarHBondContact OG-N 3.23Å; N610-E612 HydrophobicContact CB-CG 4.44Å
611	N	95	Very high	92.4	Very high	44 Å²	44	28.3 Å²	28.3	24%	0.235	16%	0.158	C	C	.	.	S	Bend	trans	64.5	41.9	-175.5	-60	-74	0	0	0	112.8	S608 P609 K642 F643 T644	S608-N611 PolarHBondContact O-N 2.88Å; P609-N611 PolarHBondContact O-N 3.49Å; N611-K642 HydrophobicContact CB-CG 3.91Å; N611-K642 CarbonylContact O-C 3.56Å; N611-K642 WeakPolarHBondContact O-CA 3.41Å; N611-F643 CarbonylContact C-O 3.6Å; N611-F643 WeakPolarHBondContact CB-O 3.14Å; N611-F643 PolarHBondContact O-N 3.5Å; N611-T644 HydrophobicContact CB-CG2 4.42Å
612	E	95.5	Very high	92.7	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.047	14%	0.14	C	C	.	.			trans	-102.9	126	169.4	-55.5	161.9	146.7	0	0	108.3	L607 S608 N610 R614	L607-E612 CarbonylContact C-O 3.55Å; L607-E612 WeakPolarHBondContact CA-O 3.47Å; S608-E612 PolarHBondContact N-O 2.86Å; S608-E612 VanDerWaalsContact OG-CB 3.29Å; S608-E612 WeakPolarHBondContact OG-CB 3.47Å; S608-E612 PolarHBondContact OG-N 3.23Å; S608-E612 VanDerWaalsContact OG-N 3.12Å; S608-E612 PolarHBondContact OG-OE2 2.75Å; N610-E612 HydrophobicContact CB-CG 4.44Å; E612-R614 IonicContact OE2-CZ 2.69Å; E612-R614 IonicContact OE2-NH1 3.52Å; E612-R614 PolarHBondContact OE2-NH1 2.83Å
613	I	97.1	Very high	92.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.3	163.9	-61.2	172.8	0	0	0	106.4	I567 W605 L606 L607 C619 F620 F643 I651	I567-I613 HydrophobicContact CD1-CG2 3.83Å; W605-I613 HydrophobicContact CB-CG2 4.17Å; L606-I613 WeakPolarHBondContact O-CA 3.47Å; L607-I613 HydrophobicContact CD1-CG1 3.86Å; I613-C619 CarbonylContact O-C 3.1Å; I613-C619 WeakPolarHBondContact O-CA 3.41Å; I613-F620 HydrophobicContact CB-CB 4.31Å; I613-F620 HydrophobicContact CB-CD1 4.09Å; I613-F620 HydrophobicContact CB-CD2 3.79Å; I613-F620 HydrophobicContact CB-CE1 4.38Å; I613-F620 HydrophobicContact CB-CE2 4.1Å; I613-F620 HydrophobicContact CB-CG 3.8Å; I613-F620 HydrophobicContact CB-CZ 4.38Å; I613-F620 HydrophobicContact CD1-CD2 4.02Å; I613-F620 HydrophobicContact CD1-CE2 4.06Å; I613-F620 HydrophobicContact CG1-CD2 4.49Å; I613-F620 HydrophobicContact CG2-CD1 3.81Å; I613-F620 HydrophobicContact CG2-CD2 3.88Å; I613-F620 HydrophobicContact CG2-CE1 3.62Å; I613-F620 HydrophobicContact CG2-CE2 3.67Å; I613-F620 HydrophobicContact CG2-CG 3.96Å; I613-F620 HydrophobicContact CG2-CZ 3.54Å; I613-F620 WeakPolarHBondContact O-CD1 3.34Å; I613-F620 PolarHBondContact O-N 3.38Å; I613-F643 HydrophobicContact CD1-CB 3.8Å; I613-F643 HydrophobicContact CD1-CG 4.45Å; I613-F643 HydrophobicContact CG1-CB 4Å; I613-I651 HydrophobicContact CD1-CD1 4.01Å; I613-I651 HydrophobicContact CD1-CG1 4.27Å; I613-I651 HydrophobicContact CD1-CG2 3.62Å
614	R	94	Very high	91.3	Very high	31 Å²	31	26.9 Å²	26.9	12%	0.117	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160	-166	65.6	-172.9	-66.5	163.4	-5	113.4	F556 L606 E612 D616 Y618	F556-R614 HydrophobicContact CD1-CG 4.48Å; F556-R614 HydrophobicContact CE1-CG 4.25Å; L606-R614 HydrophobicContact CB-CG 4.26Å; L606-R614 PolarHBondContact N-O 3.25Å; L606-R614 PolarHBondContact O-N 2.89Å; E612-R614 IonicContact OE2-CZ 2.69Å; E612-R614 IonicContact OE2-NH1 3.52Å; E612-R614 PolarHBondContact OE2-NH1 2.83Å; R614-D616 PolarHBondContact NE-O 2.97Å; R614-D616 PolarHBondContact NH2-O 3.46Å; R614-Y618 CarbonylContact C-O 3.6Å; R614-Y618 WeakPolarHBondContact CA-O 3.33Å; R614-Y618 VanDerWaalsContact CB-O 3.28Å; R614-Y618 WeakPolarHBondContact CB-O 3.22Å
615	R	90	Very high	90.5	Very high	17 Å²	17	31.7 Å²	31.7	6%	0.064	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.7	161.5	-176.2	176.2	61.3	-137.8	-2.9	107.7	S578 G601 N602 F604 W605 E617 Y618	S578-R615 VanDerWaalsContact O-CZ 3.28Å; S578-R615 PolarHBondContact O-NH1 2.59Å; S578-R615 PolarHBondContact O-NH2 2.79Å; G601-R615 PolarHBondContact O-NH1 2.78Å; G601-R615 VanDerWaalsContact O-NH1 3.17Å; N602-R615 PolarHBondContact O-NH1 3.33Å; F604-R615 WeakPolarHBondContact O-CD 3.35Å; W605-R615 HydrophobicContact CE3-CB 4.06Å; W605-R615 HydrophobicContact CZ3-CB 4.04Å; R615-E617 PolarHBondContact O-N 3.49Å; R615-Y618 PolarHBondContact N-O 2.93Å; R615-Y618 PolarHBondContact O-N 3.39Å
616	D	82.6	Confident	89.6	Confident	69 Å²	69	38.4 Å²	38.4	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-119.4	-172.2	-56	-47.1	0	0	0	111.6	R518 R614	R518-D616 IonicContact CZ-OD1 2.66Å; R518-D616 VanDerWaalsContact NH1-CG 3.29Å; R518-D616 IonicContact NH1-OD1 3.15Å; R518-D616 PolarHBondContact NH1-OD1 2.78Å; R518-D616 IonicContact NH1-OD2 3.63Å; R614-D616 PolarHBondContact NE-O 2.97Å; R614-D616 PolarHBondContact NH2-O 3.46Å
617	E	83.1	Confident	88.9	Confident	53 Å²	53	42.7 Å²	42.7	25%	0.248	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.2	180	-59	-174.4	148.8	0	0	113.4	R401 R615 R633 C634	R401-E617 WeakPolarHBondContact CG-OE1 3.46Å; R401-E617 IonicContact NE-OE1 2.59Å; R615-E617 PolarHBondContact O-N 3.49Å; E617-R633 CarbonylContact O-C 3.59Å; E617-R633 WeakPolarHBondContact O-CA 3.49Å; E617-C634 VanDerWaalsContact C-SG 3.54Å; E617-C634 PolarHBondContact O-N 3.29Å; E617-C634 PolarHBondContact O-SG 3.29Å
618	Y	90.1	Very high	88.5	Confident	27 Å²	27	43.7 Å²	43.7	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.8	-179.5	-66.2	-81.4	0	0	0	111.4	T580 P581 R614 R615 Y632 R633	T580-Y618 HydrophobicContact CG2-CD2 3.71Å; T580-Y618 HydrophobicContact CG2-CE2 4.21Å; T580-Y618 HydrophobicContact CG2-CG 4.45Å; P581-Y618 HydrophobicContact CB-CE1 3.81Å; P581-Y618 HydrophobicContact CG-CD1 3.73Å; P581-Y618 HydrophobicContact CG-CE1 3.47Å; P581-Y618 VanDerWaalsContact CG-CE1 3.47Å; P581-Y618 PolarHBondContact O-OH 3.42Å; R614-Y618 CarbonylContact C-O 3.6Å; R614-Y618 WeakPolarHBondContact CA-O 3.33Å; R614-Y618 VanDerWaalsContact CB-O 3.28Å; R614-Y618 WeakPolarHBondContact CB-O 3.22Å; R615-Y618 PolarHBondContact N-O 2.93Å; R615-Y618 PolarHBondContact O-N 3.39Å; Y618-Y632 CarbonylContact C-O 3.57Å; Y618-Y632 VanDerWaalsContact CA-O 3.3Å; Y618-Y632 WeakPolarHBondContact CA-O 3.3Å; Y618-R633 HydrophobicContact CD1-CG 4.49Å; Y618-R633 HydrophobicContact CE1-CG 4.04Å
619	C	93.1	Very high	88.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.6	179.5	-77.8	0	0	0	0	110.1	I613 D621 L631 Y632 C634 Q641	I613-C619 CarbonylContact O-C 3.1Å; I613-C619 WeakPolarHBondContact O-CA 3.41Å; C619-D621 PolarHBondContact O-N 2.99Å; C619-L631 WeakPolarHBondContact O-CA 3.42Å; C619-Y632 PolarHBondContact N-O 3.43Å; C619-Y632 PolarHBondContact O-N 3.4Å; C619-C634 HydrophobicContact CB-CB 4.04Å; C619-C634 WeakPolarHBondContact CB-SG 3.46Å; C619-C634 PolarHBondContact N-SG 3.33Å; C619-C634 WeakPolarHBondContact SG-CB 3.43Å; C619-C634 CovalentContact SG-SG 2.03Å; C619-C634 PolarHBondContact SG-SG 2.86Å; C619-Q641 HydrophobicContact CB-CB 4.34Å; C619-Q641 HydrophobicContact CB-CG 4.3Å
620	F	95.5	Very high	88.4	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	135	164.6	-80.8	23.5	0	0	0	108.8	I567 L576 I591 W605 I613 I629 G630 L631 Q641 F643	I567-F620 HydrophobicContact CD1-CZ 4.37Å; L576-F620 HydrophobicContact CD1-CE2 3.77Å; L576-F620 HydrophobicContact CD1-CZ 3.69Å; I591-F620 HydrophobicContact CD1-CD1 3.32Å; I591-F620 HydrophobicContact CD1-CD2 4.15Å; I591-F620 HydrophobicContact CD1-CE1 3.31Å; I591-F620 HydrophobicContact CD1-CE2 4.15Å; I591-F620 HydrophobicContact CD1-CG 3.75Å; I591-F620 HydrophobicContact CD1-CZ 3.76Å; I591-F620 HydrophobicContact CG1-CE1 4.26Å; W605-F620 AromaticContact CD2-CE1 3.88Å; W605-F620 HydrophobicContact CD2-CE1 3.88Å; W605-F620 HydrophobicContact CD2-CZ 4.21Å; W605-F620 HydrophobicContact CE3-CD1 4.38Å; W605-F620 AromaticContact CE3-CE1 3.55Å; W605-F620 HydrophobicContact CE3-CE1 3.55Å; W605-F620 HydrophobicContact CE3-CZ 4.32Å; W605-F620 AromaticContact CH2-CE1 3.75Å; W605-F620 HydrophobicContact CH2-CE1 3.75Å; W605-F620 HydrophobicContact CZ2-CE1 4.08Å; W605-F620 HydrophobicContact CZ2-CZ 4.45Å; W605-F620 HydrophobicContact CZ3-CD1 4.21Å; W605-F620 AromaticContact CZ3-CE1 3.51Å; W605-F620 HydrophobicContact CZ3-CE1 3.51Å; I613-F620 HydrophobicContact CB-CB 4.31Å; I613-F620 HydrophobicContact CB-CD1 4.09Å; I613-F620 HydrophobicContact CB-CD2 3.79Å; I613-F620 HydrophobicContact CB-CE1 4.38Å; I613-F620 HydrophobicContact CB-CE2 4.1Å; I613-F620 HydrophobicContact CB-CG 3.8Å; I613-F620 HydrophobicContact CB-CZ 4.38Å; I613-F620 HydrophobicContact CD1-CD2 4.02Å; I613-F620 HydrophobicContact CD1-CE2 4.06Å; I613-F620 HydrophobicContact CG1-CD2 4.49Å; I613-F620 HydrophobicContact CG2-CD1 3.81Å; I613-F620 HydrophobicContact CG2-CD2 3.88Å; I613-F620 HydrophobicContact CG2-CE1 3.62Å; I613-F620 HydrophobicContact CG2-CE2 3.67Å; I613-F620 HydrophobicContact CG2-CG 3.96Å; I613-F620 HydrophobicContact CG2-CZ 3.54Å; I613-F620 WeakPolarHBondContact O-CD1 3.34Å; I613-F620 PolarHBondContact O-N 3.38Å; F620-I629 HydrophobicContact CB-CG2 3.7Å; F620-I629 HydrophobicContact CD2-CD1 4.37Å; F620-I629 HydrophobicContact CD2-CG2 3.91Å; F620-I629 HydrophobicContact CG-CG2 3.87Å; F620-G630 CarbonylContact C-O 3.53Å; F620-G630 WeakPolarHBondContact CA-O 3.38Å; F620-L631 HydrophobicContact CD1-CD2 3.9Å; F620-L631 HydrophobicContact CE1-CD2 4.28Å; F620-Q641 VanDerWaalsContact O-CA 3.31Å; F620-Q641 WeakPolarHBondContact O-CA 3.41Å; F620-Q641 WeakPolarHBondContact O-CG 3.3Å; F620-F643 HydrophobicContact CB-CD2 3.71Å; F620-F643 HydrophobicContact CB-CE2 3.5Å; F620-F643 HydrophobicContact CB-CG 4.36Å; F620-F643 HydrophobicContact CB-CZ 3.96Å; F620-F643 VanDerWaalsContact O-CE2 3.29Å; F620-F643 WeakPolarHBondContact O-CE2 3.27Å
621	D	93.8	Very high	88.5	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.5	-175.8	-163.8	-58	0	0	0	110.7	C619 G623 M624 I629 G630 N640 Q641	C619-D621 PolarHBondContact O-N 2.99Å; D621-G623 WeakPolarHBondContact OD1-CA 3.39Å; D621-G623 PolarHBondContact OD1-N 3.4Å; D621-M624 HydrophobicContact CB-SD 4.49Å; D621-I629 WeakPolarHBondContact O-CA 3.12Å; D621-G630 PolarHBondContact N-O 3.3Å; D621-G630 PolarHBondContact O-N 2.76Å; D621-N640 PolarHBondContact OD1-ND2 2.79Å; D621-N640 PolarHBondContact OD2-ND2 2.9Å; D621-Q641 HydrophobicContact CB-CG 4.14Å; D621-Q641 VanDerWaalsContact OD2-CG 3.27Å; D621-Q641 WeakPolarHBondContact OD2-CG 3.45Å; D621-Q641 PolarHBondContact OD2-NE2 3.01Å
622	S	92.5	Very high	88.1	Confident	22 Å²	22	40.1 Å²	40.1	15%	0.154	20%	0.204	C	C	.	.	S	Bend	trans	-88.9	-5.8	179.2	65.7	0	0	0	0	114.7	M624 N640 H653	S622-M624 VanDerWaalsContact C-N 3.33Å; S622-M624 PolarHBondContact O-N 3.43Å; S622-N640 PolarHBondContact N-O 2.73Å; S622-N640 VanDerWaalsContact N-O 3.12Å; S622-N640 WeakPolarHBondContact OG-CB 3.14Å; S622-N640 PolarHBondContact OG-O 3.23Å; S622-H653 WeakPolarHBondContact CB-NE2 3.42Å; S622-H653 PolarHBondContact OG-CE1 3.26Å; S622-H653 PolarHBondContact OG-NE2 3.46Å
623	G	81.7	Confident	87.7	Confident	56 Å²	56	44.5 Å²	44.5	58%	0.577	22%	0.22	S	C	*	.	S	Bend	trans	-80.8	-7.9	-175.3	0	0	0	0	0	114.7	D621	D621-G623 WeakPolarHBondContact OD1-CA 3.39Å; D621-G623 PolarHBondContact OD1-N 3.4Å
624	M	74.2	Confident	87.2	Confident	14 Å²	14	46 Å²	46	7%	0.069	23%	0.23	C	C	.	.	S	Bend	trans	-76.1	-40.9	-172	-67.2	175.8	67.2	0	0	113.4	R588 D621 S622 G630	R588-M624 VanDerWaalsContact C-CE 3.47Å; R588-M624 HydrophobicContact CB-CE 3.33Å; R588-M624 HydrophobicContact CG-CE 3.8Å; R588-M624 PolarHBondContact NH1-O 2.87Å; D621-M624 HydrophobicContact CB-SD 4.49Å; S622-M624 VanDerWaalsContact C-N 3.33Å; S622-M624 PolarHBondContact O-N 3.43Å; M624-G630 VanDerWaalsContact SD-C 3.53Å; M624-G630 WeakPolarHBondContact SD-CA 3.4Å
625	K	76.5	Confident	86.7	Confident	142 Å²	142	48.5 Å²	48.5	62%	0.617	24%	0.243	S	C	*	.	S	Bend	trans	-159.5	140.5	173	170.2	-179.6	-177.3	-179.5	0	107.8	H627 T628	K625-H627 PolarHBondContact O-N 3.07Å; K625-T628 HydrophobicContact CB-CG2 4.38Å; K625-T628 VanDerWaalsContact CB-OG1 3.32Å; K625-T628 WeakPolarHBondContact CB-OG1 3.25Å; K625-T628 HydrophobicContact CD-CG2 4.19Å; K625-T628 HydrophobicContact CG-CG2 4.22Å; K625-T628 PolarHBondContact O-N 2.89Å; K625-T628 PolarHBondContact O-OG1 3.3Å
626	N	77.9	Confident	86.3	Confident	141 Å²	141	49.7 Å²	49.7	75%	0.754	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	128	-178.7	-80	-1.2	0	0	0	111.4	T628	N626-T628 PolarHBondContact O-N 2.84Å; N626-T628 VanDerWaalsContact O-N 3.17Å
627	H	82.2	Confident	86.4	Confident	100 Å²	100	50.1 Å²	50.1	46%	0.463	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-1.4	179.8	-52.1	-86.1	0	0	0	117	K625 K656 Q668 L669	K625-H627 PolarHBondContact O-N 3.07Å; H627-K656 PolarHBondContact CE1-NZ 2.59Å; H627-Q668 CarbonylContact O-C 3.48Å; H627-Q668 VanDerWaalsContact O-CA 3.23Å; H627-Q668 WeakPolarHBondContact O-CA 3.21Å; H627-L669 PolarHBondContact ND1-O 2.84Å; H627-L669 PolarHBondContact O-N 3.41Å
628	T	88.4	Confident	86.6	Confident	26 Å²	26	52.6 Å²	52.6	16%	0.16	28%	0.284	C	S	.	.			trans	-98.3	159.1	174.1	67.1	0	0	0	0	110.7	K625 N626	K625-T628 HydrophobicContact CB-CG2 4.38Å; K625-T628 VanDerWaalsContact CB-OG1 3.32Å; K625-T628 WeakPolarHBondContact CB-OG1 3.25Å; K625-T628 HydrophobicContact CD-CG2 4.19Å; K625-T628 HydrophobicContact CG-CG2 4.22Å; K625-T628 PolarHBondContact O-N 2.89Å; K625-T628 PolarHBondContact O-OG1 3.3Å; N626-T628 PolarHBondContact O-N 2.84Å; N626-T628 VanDerWaalsContact O-N 3.17Å
629	I	92.3	Very high	86.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.			trans	-115.9	131.3	169.1	-49.6	-179.2	0	0	0	107.2	V590 I591 F620 D621 F643 L658 L669	V590-I629 WeakPolarHBondContact CG1-O 3.41Å; I591-I629 HydrophobicContact CD1-CB 4.17Å; I591-I629 HydrophobicContact CD1-CG2 3.62Å; I591-I629 PolarHBondContact N-O 2.83Å; F620-I629 HydrophobicContact CB-CG2 3.7Å; F620-I629 HydrophobicContact CD2-CD1 4.37Å; F620-I629 HydrophobicContact CD2-CG2 3.91Å; F620-I629 HydrophobicContact CG-CG2 3.87Å; D621-I629 WeakPolarHBondContact O-CA 3.12Å; I629-F643 HydrophobicContact CD1-CD1 4.38Å; I629-F643 HydrophobicContact CD1-CE1 3.52Å; I629-F643 HydrophobicContact CD1-CZ 4.1Å; I629-F643 HydrophobicContact CG1-CE1 4.24Å; I629-F643 HydrophobicContact CG1-CZ 4.4Å; I629-F643 HydrophobicContact CG2-CE1 4.4Å; I629-F643 HydrophobicContact CG2-CZ 3.99Å; I629-L658 HydrophobicContact CD1-CD1 3.37Å; I629-L658 HydrophobicContact CD1-CD2 4.04Å; I629-L658 HydrophobicContact CD1-CG 4.2Å; I629-L658 HydrophobicContact CG1-CD1 4.21Å; I629-L669 HydrophobicContact CD1-CD1 4.47Å; I629-L669 HydrophobicContact CD1-CD2 4.14Å; I629-L669 HydrophobicContact CD1-CG 4.17Å; I629-L669 HydrophobicContact CG1-CD1 4.17Å; I629-L669 HydrophobicContact CG1-CG 4.1Å
630	G	91.4	Very high	86.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-171.5	167.6	0	0	0	0	0	112.1	T589 F620 D621 M624	T589-G630 CarbonylContact O-C 3.53Å; T589-G630 WeakPolarHBondContact O-CA 3.46Å; F620-G630 CarbonylContact C-O 3.53Å; F620-G630 WeakPolarHBondContact CA-O 3.38Å; D621-G630 PolarHBondContact N-O 3.3Å; D621-G630 PolarHBondContact O-N 2.76Å; M624-G630 VanDerWaalsContact SD-C 3.53Å; M624-G630 WeakPolarHBondContact SD-CA 3.4Å
631	L	91.4	Very high	86.6	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.3	176.3	-68.1	179.5	0	0	0	110.2	P579 P581 T589 I591 W605 C619 F620	P579-L631 WeakPolarHBondContact O-CD1 3.19Å; P581-L631 HydrophobicContact CG-CB 4.29Å; T589-L631 PolarHBondContact O-N 3.43Å; I591-L631 HydrophobicContact CD1-CD2 3.95Å; I591-L631 HydrophobicContact CD1-CG 4.27Å; I591-L631 HydrophobicContact CG1-CD2 4.23Å; I591-L631 HydrophobicContact CG1-CG 4.07Å; W605-L631 HydrophobicContact CH2-CD1 4.04Å; W605-L631 HydrophobicContact CH2-CD2 3.94Å; W605-L631 HydrophobicContact CH2-CG 4.43Å; W605-L631 HydrophobicContact CZ3-CD1 4.3Å; W605-L631 HydrophobicContact CZ3-CD2 3.7Å; C619-L631 WeakPolarHBondContact O-CA 3.42Å; F620-L631 HydrophobicContact CD1-CD2 3.9Å; F620-L631 HydrophobicContact CE1-CD2 4.28Å
632	Y	87.9	Confident	86.7	Confident	125 Å²	125	59.9 Å²	59.9	49%	0.49	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161.7	172.7	-158	-102.9	0	0	0	110.4	Y618 C619 C634	Y618-Y632 CarbonylContact C-O 3.57Å; Y618-Y632 VanDerWaalsContact CA-O 3.3Å; Y618-Y632 WeakPolarHBondContact CA-O 3.3Å; C619-Y632 PolarHBondContact N-O 3.43Å; C619-Y632 PolarHBondContact O-N 3.4Å; Y632-C634 PolarHBondContact O-N 3.09Å
633	R	86.3	Confident	86.9	Confident	103 Å²	103	58.8 Å²	58.8	39%	0.389	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.6	177.3	-75.9	-172.8	174.5	-138.6	-1.8	109.6	D125 E617 Y618 H635 Q641	D125-R633 IonicContact OD2-NH1 2.68Å; D125-R633 IonicContact OD2-NH2 3.65Å; E617-R633 CarbonylContact O-C 3.59Å; E617-R633 WeakPolarHBondContact O-CA 3.49Å; Y618-R633 HydrophobicContact CD1-CG 4.49Å; Y618-R633 HydrophobicContact CE1-CG 4.04Å; R633-H635 PolarHBondContact O-N 2.85Å; R633-Q641 PolarHBondContact O-NE2 3.1Å
634	C	87	Confident	87.6	Confident	32 Å²	32	58.7 Å²	58.7	22%	0.216	31%	0.311	C	S	.	.			trans	-62.6	116.1	177.8	-64.4	0	0	0	0	109.2	E617 C619 Y632	E617-C634 VanDerWaalsContact C-SG 3.54Å; E617-C634 PolarHBondContact O-N 3.29Å; E617-C634 PolarHBondContact O-SG 3.29Å; C619-C634 HydrophobicContact CB-CB 4.04Å; C619-C634 WeakPolarHBondContact CB-SG 3.46Å; C619-C634 PolarHBondContact N-SG 3.33Å; C619-C634 WeakPolarHBondContact SG-CB 3.43Å; C619-C634 CovalentContact SG-SG 2.03Å; C619-C634 PolarHBondContact SG-SG 2.86Å; Y632-C634 PolarHBondContact O-N 3.09Å
635	H	82.3	Confident	88.7	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.38	31%	0.314	S	S	.	.			trans	-103.5	-1	-177.9	57	61.7	0	0	0	113.4	R633 A637 N640 Q641	R633-H635 PolarHBondContact O-N 2.85Å; H635-A637 WeakPolarHBondContact ND1-CB 3.41Å; H635-A637 PolarHBondContact ND1-N 2.79Å; H635-A637 PolarHBondContact O-N 3.35Å; H635-N640 PolarHBondContact NE2-OD1 3.2Å; H635-Q641 PolarHBondContact CD2-NE2 3.16Å; H635-Q641 PolarHBondContact CD2-OE1 3.32Å; H635-Q641 VanDerWaalsContact CD2-OE1 3.32Å; H635-Q641 VanDerWaalsContact NE2-CG 3.33Å; H635-Q641 WeakPolarHBondContact NE2-CG 3.29Å; H635-Q641 PolarHBondContact NE2-NE2 2.93Å; H635-Q641 PolarHBondContact NE2-OE1 2.82Å
636	G	82.8	Confident	89.6	Confident	43 Å²	43	53.6 Å²	53.6	44%	0.443	29%	0.294	S	S	.	.	S	Bend	trans	67.7	-16.5	177	0	0	0	0	0	115.9	K638	G636-K638 PolarHBondContact O-N 3.12Å
637	A	83.6	Confident	90.4	Very high	78 Å²	78	56.2 Å²	56.2	65%	0.645	30%	0.301	S	S	*	.	S	Bend	trans	-70.8	10.8	179.4	0	0	0	0	0	115.3	H635 G639	H635-A637 WeakPolarHBondContact ND1-CB 3.41Å; H635-A637 PolarHBondContact ND1-N 2.79Å; H635-A637 PolarHBondContact O-N 3.35Å; A637-G639 PolarHBondContact O-N 3.26Å
638	K	87.8	Confident	91	Very high	105 Å²	105	54.6 Å²	54.6	46%	0.457	30%	0.296	S	S	.	.			trans	58.2	-97.9	-176.6	-62.1	172.6	-177.5	168.8	0	111.3	G636 N640 Q641 K642	G636-K638 PolarHBondContact O-N 3.12Å; K638-N640 PolarHBondContact O-N 3.11Å; K638-Q641 CarbonylContact O-C 3.51Å; K638-Q641 VanDerWaalsContact O-CA 3.3Å; K638-Q641 WeakPolarHBondContact O-CA 3.27Å; K638-Q641 WeakPolarHBondContact O-CB 3.43Å; K638-Q641 PolarHBondContact O-N 3.24Å; K638-K642 HydrophobicContact CB-CB 4.07Å; K638-K642 HydrophobicContact CB-CD 4.36Å; K638-K642 HydrophobicContact CB-CG 4.45Å; K638-K642 PolarHBondContact O-N 2.99Å
639	G	91.1	Very high	91.4	Very high	43 Å²	43	55.9 Å²	55.9	44%	0.443	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	48.6	-125.3	175.2	0	0	0	0	0	114.5	A637 Q641 K642 H653	A637-G639 PolarHBondContact O-N 3.26Å; G639-Q641 PolarHBondContact O-N 3.16Å; G639-K642 PolarHBondContact O-N 2.74Å; G639-H653 PolarHBondContact O-CE1 2.92Å
640	N	93	Very high	91.6	Very high	50 Å²	50	56 Å²	56	27%	0.267	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-64.7	-13	173.4	52.9	-35.7	0	0	0	114.5	D621 S622 H635 K638 F643 H653	D621-N640 PolarHBondContact OD1-ND2 2.79Å; D621-N640 PolarHBondContact OD2-ND2 2.9Å; S622-N640 PolarHBondContact N-O 2.73Å; S622-N640 VanDerWaalsContact N-O 3.12Å; S622-N640 WeakPolarHBondContact OG-CB 3.14Å; S622-N640 PolarHBondContact OG-O 3.23Å; H635-N640 PolarHBondContact NE2-OD1 3.2Å; K638-N640 PolarHBondContact O-N 3.11Å; N640-F643 WeakPolarHBondContact O-CE2 3.37Å; N640-H653 PolarHBondContact O-CE1 3.11Å
641	Q	94.5	Very high	91.9	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-102.6	6.9	178.2	-62	-174.1	-9.1	0	0	114.3	C619 F620 D621 R633 H635 K638 G639	C619-Q641 HydrophobicContact CB-CB 4.34Å; C619-Q641 HydrophobicContact CB-CG 4.3Å; F620-Q641 VanDerWaalsContact O-CA 3.31Å; F620-Q641 WeakPolarHBondContact O-CA 3.41Å; F620-Q641 WeakPolarHBondContact O-CG 3.3Å; D621-Q641 HydrophobicContact CB-CG 4.14Å; D621-Q641 VanDerWaalsContact OD2-CG 3.27Å; D621-Q641 WeakPolarHBondContact OD2-CG 3.45Å; D621-Q641 PolarHBondContact OD2-NE2 3.01Å; R633-Q641 PolarHBondContact O-NE2 3.1Å; H635-Q641 PolarHBondContact CD2-NE2 3.16Å; H635-Q641 PolarHBondContact CD2-OE1 3.32Å; H635-Q641 VanDerWaalsContact CD2-OE1 3.32Å; H635-Q641 VanDerWaalsContact NE2-CG 3.33Å; H635-Q641 WeakPolarHBondContact NE2-CG 3.29Å; H635-Q641 PolarHBondContact NE2-NE2 2.93Å; H635-Q641 PolarHBondContact NE2-OE1 2.82Å; K638-Q641 CarbonylContact O-C 3.51Å; K638-Q641 VanDerWaalsContact O-CA 3.3Å; K638-Q641 WeakPolarHBondContact O-CA 3.27Å; K638-Q641 WeakPolarHBondContact O-CB 3.43Å; K638-Q641 PolarHBondContact O-N 3.24Å; G639-Q641 PolarHBondContact O-N 3.16Å
642	K	96.1	Very high	92.2	Very high	92 Å²	92	60.8 Å²	60.8	40%	0.4	32%	0.32	S	S	.	.			trans	-89.9	113.3	176.9	-168.7	-172.5	176.8	-174.7	0	111.8	N611 K638 G639 H653	N611-K642 HydrophobicContact CB-CG 3.91Å; N611-K642 CarbonylContact O-C 3.56Å; N611-K642 WeakPolarHBondContact O-CA 3.41Å; K638-K642 HydrophobicContact CB-CB 4.07Å; K638-K642 HydrophobicContact CB-CD 4.36Å; K638-K642 HydrophobicContact CB-CG 4.45Å; K638-K642 PolarHBondContact O-N 2.99Å; G639-K642 PolarHBondContact O-N 2.74Å; K642-H653 PolarHBondContact O-ND1 3.42Å
643	F	97.1	Very high	92.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.			trans	-127.8	125.3	178	-67.5	-95.5	0	0	0	110.9	N611 I613 F620 I629 N640 I651 R652 H653	N611-F643 CarbonylContact C-O 3.6Å; N611-F643 WeakPolarHBondContact CB-O 3.14Å; N611-F643 PolarHBondContact O-N 3.5Å; I613-F643 HydrophobicContact CD1-CB 3.8Å; I613-F643 HydrophobicContact CD1-CG 4.45Å; I613-F643 HydrophobicContact CG1-CB 4Å; F620-F643 HydrophobicContact CB-CD2 3.71Å; F620-F643 HydrophobicContact CB-CE2 3.5Å; F620-F643 HydrophobicContact CB-CG 4.36Å; F620-F643 HydrophobicContact CB-CZ 3.96Å; F620-F643 VanDerWaalsContact O-CE2 3.29Å; F620-F643 WeakPolarHBondContact O-CE2 3.27Å; I629-F643 HydrophobicContact CD1-CD1 4.38Å; I629-F643 HydrophobicContact CD1-CE1 3.52Å; I629-F643 HydrophobicContact CD1-CZ 4.1Å; I629-F643 HydrophobicContact CG1-CE1 4.24Å; I629-F643 HydrophobicContact CG1-CZ 4.4Å; I629-F643 HydrophobicContact CG2-CE1 4.4Å; I629-F643 HydrophobicContact CG2-CZ 3.99Å; N640-F643 WeakPolarHBondContact O-CE2 3.37Å; F643-I651 HydrophobicContact CB-CG2 4.37Å; F643-I651 HydrophobicContact CD1-CG2 4.11Å; F643-R652 WeakPolarHBondContact CA-O 3.39Å; F643-H653 HydrophobicContact CD1-CB 3.71Å; F643-H653 HydrophobicContact CE1-CB 3.53Å; F643-H653 AromaticContact CE1-CG 3.79Å; F643-H653 HydrophobicContact CZ-CB 4.23Å; F643-H653 AromaticContact CZ-CG 3.99Å; F643-H653 AromaticContact CZ-ND1 3.89Å
644	T	96.7	Very high	92.9	Very high	53 Å²	53	57.5 Å²	57.5	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.2	178.3	56.2	0	0	0	0	110.3	N611 I651 R652	N611-T644 HydrophobicContact CB-CG2 4.42Å; T644-I651 WeakPolarHBondContact O-CA 3.46Å; T644-R652 PolarHBondContact N-O 3.35Å; T644-R652 PolarHBondContact O-N 3.35Å
645	Y	97	Very high	93.2	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.122	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110.5	170.8	-179.6	-132.5	0	0	0	109.2	L607 D649 T650 I651 W680 F682 R684	L607-Y645 HydrophobicContact CD2-CD1 4.48Å; Y645-D649 HydrophobicContact CE2-CB 4.32Å; Y645-D649 PolarHBondContact OH-OD1 3.5Å; Y645-D649 VanDerWaalsContact OH-OD1 3.07Å; Y645-T650 WeakPolarHBondContact CA-O 3.47Å; Y645-I651 HydrophobicContact CD2-CG1 3.92Å; Y645-W680 WeakPolarHBondContact CE2-O 3.27Å; Y645-W680 PolarHBondContact OH-O 3.16Å; Y645-F682 HydrophobicContact CD1-CB 4.36Å; Y645-F682 HydrophobicContact CD1-CD1 4.39Å; Y645-F682 HydrophobicContact CE1-CB 3.79Å; Y645-F682 WeakPolarHBondContact CE1-O 3.37Å; Y645-F682 HydrophobicContact CE2-CB 4.19Å; Y645-F682 PolarHBondContact OH-N 3.38Å; Y645-F682 VanDerWaalsContact OH-N 3.11Å; Y645-F682 PolarHBondContact OH-O 2.87Å; Y645-R684 HydrophobicContact CD1-CG 4.33Å; Y645-R684 HydrophobicContact CE1-CG 3.74Å; Y645-R684 VanDerWaalsContact CE1-NH2 3.3Å; Y645-R684 VanDerWaalsContact CZ-CZ 3.49Å; Y645-R684 PolarHBondContact OH-NH1 3.09Å; Y645-R684 PolarHBondContact OH-NH2 2.83Å
646	G	94.5	Very high	93.8	Very high	19 Å²	19	59.3 Å²	59.3	20%	0.196	34%	0.336	C	S	.	.			trans	-76.3	168.8	-175	0	0	0	0	0	113.4	D648 D649 T650 R684	G646-D648 PolarHBondContact O-N 3.16Å; G646-D649 PolarHBondContact O-N 2.91Å; G646-T650 PolarHBondContact N-O 3.28Å; G646-R684 PolarHBondContact O-NH2 2.68Å
647	E	94.6	Very high	94.5	Very high	196 Å²	196	57.3 Å²	57.3	92%	0.916	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.2	170.7	-66	-178.5	172.7	0	0	112.4	D649	E647-D649 PolarHBondContact O-N 2.81Å
648	D	95	Very high	95.2	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	15.7	176.7	68.3	-17.6	0	0	0	113.8	G646 T650 R652	G646-D648 PolarHBondContact O-N 3.16Å; D648-T650 VanDerWaalsContact CG-OG1 3.22Å; D648-T650 PolarHBondContact O-N 3.19Å; D648-T650 VanDerWaalsContact O-N 3.16Å; D648-T650 WeakPolarHBondContact OD1-CB 3.2Å; D648-T650 PolarHBondContact OD1-N 3.12Å; D648-T650 PolarHBondContact OD1-OG1 2.89Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.15Å; D648-T650 PolarHBondContact OD2-OG1 3.17Å; D648-T650 VanDerWaalsContact OD2-OG1 3.13Å; D648-R652 IonicContact OD1-NH2 3.92Å; D648-R652 IonicContact OD2-CZ 2.83Å; D648-R652 IonicContact OD2-NE 3.77Å; D648-R652 IonicContact OD2-NH2 3.86Å; D648-R652 PolarHBondContact OD2-NH2 2.85Å
649	D	96.9	Very high	95.6	Very high	53 Å²	53	50.2 Å²	50.2	28%	0.283	27%	0.271	S	S	.	.	S	Bend	trans	59.1	20.1	-177	-62.8	-33.3	0	0	0	114.3	Y645 G646 E647 Q679 W680 R684	Y645-D649 HydrophobicContact CE2-CB 4.32Å; Y645-D649 PolarHBondContact OH-OD1 3.5Å; Y645-D649 VanDerWaalsContact OH-OD1 3.07Å; G646-D649 PolarHBondContact O-N 2.91Å; E647-D649 PolarHBondContact O-N 2.81Å; D649-Q679 HydrophobicContact CB-CB 4.5Å; D649-Q679 CarbonylContact O-C 3.46Å; D649-Q679 WeakPolarHBondContact O-CA 3.45Å; D649-W680 PolarHBondContact O-N 3.19Å; D649-R684 IonicContact OD1-CZ 3.83Å; D649-R684 IonicContact OD1-NH1 2.9Å; D649-R684 PolarHBondContact OD1-NH1 2.91Å; D649-R684 IonicContact OD1-NH2 3.98Å; D649-R684 PolarHBondContact OD1-NH2 3.44Å
650	T	97.6	Very high	95.9	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-93.4	140.9	175.4	66.2	0	0	0	0	112.1	Y645 G646 D648 R652	Y645-T650 WeakPolarHBondContact CA-O 3.47Å; G646-T650 PolarHBondContact N-O 3.28Å; D648-T650 VanDerWaalsContact CG-OG1 3.22Å; D648-T650 PolarHBondContact O-N 3.19Å; D648-T650 VanDerWaalsContact O-N 3.16Å; D648-T650 WeakPolarHBondContact OD1-CB 3.2Å; D648-T650 PolarHBondContact OD1-N 3.12Å; D648-T650 PolarHBondContact OD1-OG1 2.89Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.15Å; D648-T650 PolarHBondContact OD2-OG1 3.17Å; D648-T650 VanDerWaalsContact OD2-OG1 3.13Å; T650-R652 PolarHBondContact OG1-NE 2.92Å
651	I	97.8	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.7	168.3	-65.2	169.9	0	0	0	107.9	I567 I613 F643 T644 Y645 C657 L658 W680	I567-I651 HydrophobicContact CD1-CD1 4.3Å; I567-I651 HydrophobicContact CG2-CD1 3.7Å; I613-I651 HydrophobicContact CD1-CD1 4.01Å; I613-I651 HydrophobicContact CD1-CG1 4.27Å; I613-I651 HydrophobicContact CD1-CG2 3.62Å; F643-I651 HydrophobicContact CB-CG2 4.37Å; F643-I651 HydrophobicContact CD1-CG2 4.11Å; T644-I651 WeakPolarHBondContact O-CA 3.46Å; Y645-I651 HydrophobicContact CD2-CG1 3.92Å; I651-C657 WeakPolarHBondContact O-CA 3.38Å; I651-L658 HydrophobicContact CB-CB 4.03Å; I651-L658 HydrophobicContact CB-CD2 4.37Å; I651-L658 HydrophobicContact CD1-CD2 4.26Å; I651-L658 HydrophobicContact CG2-CB 4.21Å; I651-L658 HydrophobicContact CG2-CD2 4.25Å; I651-L658 PolarHBondContact O-N 3.13Å; I651-W680 HydrophobicContact CD1-CB 4.05Å; I651-W680 HydrophobicContact CD1-CD2 4.47Å; I651-W680 HydrophobicContact CD1-CG 3.89Å; I651-W680 HydrophobicContact CG1-CB 4.39Å; I651-W680 HydrophobicContact CG1-CG 4.27Å
652	R	96.9	Very high	95.8	Very high	103 Å²	103	50.7 Å²	50.7	39%	0.389	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.5	-172.4	-54.2	-179.1	179.6	-168.8	-2.4	112.7	F643 T644 D648 T650 K656	F643-R652 WeakPolarHBondContact CA-O 3.39Å; T644-R652 PolarHBondContact N-O 3.35Å; T644-R652 PolarHBondContact O-N 3.35Å; D648-R652 IonicContact OD1-NH2 3.92Å; D648-R652 IonicContact OD2-CZ 2.83Å; D648-R652 IonicContact OD2-NE 3.77Å; D648-R652 IonicContact OD2-NH2 3.86Å; D648-R652 PolarHBondContact OD2-NH2 2.85Å; T650-R652 PolarHBondContact OG1-NE 2.92Å; R652-K656 CarbonylContact C-O 3.49Å; R652-K656 VanDerWaalsContact CA-O 3.22Å; R652-K656 WeakPolarHBondContact CA-O 3.34Å
653	H	95.7	Very high	95.6	Very high	6 Å²	6	55 Å²	55	3%	0.028	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	123.4	173.9	-179.3	72.7	0	0	0	109.9	S622 G639 N640 K642 F643 G655 K656 L669	S622-H653 WeakPolarHBondContact CB-NE2 3.42Å; S622-H653 PolarHBondContact OG-CE1 3.26Å; S622-H653 PolarHBondContact OG-NE2 3.46Å; G639-H653 PolarHBondContact O-CE1 2.92Å; N640-H653 PolarHBondContact O-CE1 3.11Å; K642-H653 PolarHBondContact O-ND1 3.42Å; F643-H653 HydrophobicContact CD1-CB 3.71Å; F643-H653 HydrophobicContact CE1-CB 3.53Å; F643-H653 AromaticContact CE1-CG 3.79Å; F643-H653 HydrophobicContact CZ-CB 4.23Å; F643-H653 AromaticContact CZ-CG 3.99Å; F643-H653 AromaticContact CZ-ND1 3.89Å; H653-G655 PolarHBondContact O-N 2.84Å; H653-G655 VanDerWaalsContact O-N 3.14Å; H653-K656 PolarHBondContact N-O 3.35Å; H653-K656 WeakPolarHBondContact O-CB 3.19Å; H653-K656 PolarHBondContact O-N 2.93Å; H653-L669 HydrophobicContact CB-CD1 4.08Å; H653-L669 HydrophobicContact CB-CD2 3.96Å
654	Q	93	Very high	95.3	Very high	153 Å²	153	62.2 Å²	62.2	72%	0.715	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	44.2	178.3	-63.1	179.6	-3.1	0	0	113.8	K656	Q654-K656 PolarHBondContact O-N 3.45Å
655	G	92.8	Very high	95.1	Very high	68 Å²	68	62.7 Å²	62.7	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-2.2	179.8	0	0	0	0	0	115.7	H653	H653-G655 PolarHBondContact O-N 2.84Å; H653-G655 VanDerWaalsContact O-N 3.14Å
656	K	96.1	Very high	95	Very high	84 Å²	84	62.8 Å²	62.8	37%	0.365	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	153.6	173.9	-66.7	176.9	-177.7	170.2	0	110.8	H627 R652 H653 Q654 L669 T670	H627-K656 PolarHBondContact CE1-NZ 2.59Å; R652-K656 CarbonylContact C-O 3.49Å; R652-K656 VanDerWaalsContact CA-O 3.22Å; R652-K656 WeakPolarHBondContact CA-O 3.34Å; H653-K656 PolarHBondContact N-O 3.35Å; H653-K656 WeakPolarHBondContact O-CB 3.19Å; H653-K656 PolarHBondContact O-N 2.93Å; Q654-K656 PolarHBondContact O-N 3.45Å; K656-L669 HydrophobicContact CB-CB 4.09Å; K656-L669 HydrophobicContact CB-CD2 4.45Å; K656-L669 HydrophobicContact CD-CB 4.17Å; K656-T670 CarbonylContact C-O 3.52Å; K656-T670 WeakPolarHBondContact CA-O 3.43Å; K656-T670 WeakPolarHBondContact CB-O 3.03Å
657	C	97.1	Very high	95	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144	176	-76	0	0	0	0	110.2	I651 E659 L669 T670 C672 Q678	I651-C657 WeakPolarHBondContact O-CA 3.38Å; C657-E659 PolarHBondContact O-N 3.47Å; C657-L669 WeakPolarHBondContact O-CA 3.48Å; C657-T670 PolarHBondContact N-O 3.04Å; C657-T670 PolarHBondContact O-N 3.27Å; C657-C672 HydrophobicContact CB-CB 4Å; C657-C672 WeakPolarHBondContact CB-SG 3.2Å; C657-C672 PolarHBondContact N-SG 3.24Å; C657-C672 WeakPolarHBondContact SG-CB 3.19Å; C657-C672 CovalentContact SG-SG 2.05Å; C657-C672 PolarHBondContact SG-SG 3.33Å; C657-Q678 HydrophobicContact CB-CB 4.34Å; C657-Q678 HydrophobicContact CB-CG 4.29Å
658	L	97.2	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.7	171.3	-175.2	56.7	0	0	0	109.2	L576 I629 I651 V667 L669 Q678 W680	L576-L658 HydrophobicContact CD1-CD2 3.83Å; L576-L658 HydrophobicContact CD2-CD2 4.42Å; I629-L658 HydrophobicContact CD1-CD1 3.37Å; I629-L658 HydrophobicContact CD1-CD2 4.04Å; I629-L658 HydrophobicContact CD1-CG 4.2Å; I629-L658 HydrophobicContact CG1-CD1 4.21Å; I651-L658 HydrophobicContact CB-CB 4.03Å; I651-L658 HydrophobicContact CB-CD2 4.37Å; I651-L658 HydrophobicContact CD1-CD2 4.26Å; I651-L658 HydrophobicContact CG2-CB 4.21Å; I651-L658 HydrophobicContact CG2-CD2 4.25Å; I651-L658 PolarHBondContact O-N 3.13Å; L658-V667 HydrophobicContact CD1-CB 3.71Å; L658-V667 HydrophobicContact CD1-CG2 3.84Å; L658-V667 HydrophobicContact CG-CB 4.43Å; L658-L669 HydrophobicContact CB-CD2 4.42Å; L658-Q678 WeakPolarHBondContact O-CA 3.22Å; L658-W680 HydrophobicContact CB-CZ2 4.47Å; L658-W680 HydrophobicContact CD2-CZ2 4.08Å; L658-W680 HydrophobicContact CG-CZ2 3.75Å; L658-W680 PolarHBondContact O-NE1 3.44Å
659	E	97.1	Very high	95.1	Very high	35 Å²	35	52.9 Å²	52.9	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	-176.7	-171.4	179.5	100.8	0	0	111	C657 V667 Q668 T670 K677 Q678	C657-E659 PolarHBondContact O-N 3.47Å; E659-V667 WeakPolarHBondContact O-CA 3.44Å; E659-Q668 HydrophobicContact CB-CG 4.47Å; E659-Q668 PolarHBondContact N-O 3.29Å; E659-Q668 PolarHBondContact O-N 2.98Å; E659-Q668 PolarHBondContact OE1-NE2 3.11Å; E659-T670 HydrophobicContact CB-CG2 4.39Å; E659-T670 WeakPolarHBondContact CB-OG1 3.12Å; E659-T670 PolarHBondContact OE2-OG1 3.2Å; E659-K677 WeakPolarHBondContact CA-O 3.48Å; E659-K677 HydrophobicContact CG-CB 3.93Å; E659-Q678 HydrophobicContact CB-CG 3.84Å; E659-Q678 HydrophobicContact CG-CG 3.81Å; E659-Q678 PolarHBondContact OE2-NE2 3.49Å
660	I	96.5	Very high	95	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.6	173.4	-167.3	169.5	0	0	0	111.8	A571 H574 I593 I662 K677 W680	A571-I660 HydrophobicContact CB-CG2 4.16Å; H574-I660 HydrophobicContact CB-CD1 3.83Å; I593-I660 HydrophobicContact CB-CD1 4.47Å; I593-I660 HydrophobicContact CD1-CD1 3.67Å; I593-I660 HydrophobicContact CD1-CG1 3.7Å; I593-I660 HydrophobicContact CG2-CD1 3.89Å; I593-I660 HydrophobicContact CG2-CG1 3.88Å; I660-I662 HydrophobicContact CD1-CG1 3.92Å; I660-I662 HydrophobicContact CG1-CG1 4.02Å; I660-I662 HydrophobicContact CG2-CG1 4.46Å; I660-K677 HydrophobicContact CG2-CB 3.83Å; I660-K677 HydrophobicContact CG2-CG 4.08Å; I660-K677 WeakPolarHBondContact CG2-O 3.41Å; I660-K677 PolarHBondContact N-O 3.23Å; I660-W680 HydrophobicContact CB-CH2 3.91Å; I660-W680 HydrophobicContact CB-CZ2 4.26Å; I660-W680 HydrophobicContact CG1-CH2 4.47Å
661	N	94.6	Very high	94.9	Very high	30 Å²	30	55 Å²	55	16%	0.16	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	96.2	165.1	-171.8	-36.1	0	0	0	109.1	E663 K664 S665 S666	N661-E663 PolarHBondContact OD1-N 2.76Å; N661-K664 HydrophobicContact CB-CB 4.42Å; N661-K664 PolarHBondContact O-N 3.16Å; N661-K664 PolarHBondContact OD1-N 2.76Å; N661-S665 PolarHBondContact O-N 3.37Å; N661-S665 VanDerWaalsContact O-N 3.1Å; N661-S666 PolarHBondContact N-O 3.39Å; N661-S666 PolarHBondContact O-N 3.13Å; N661-S666 VanDerWaalsContact O-N 3.08Å
662	I	91.8	Very high	94.9	Very high	72 Å²	72	57.7 Å²	57.7	37%	0.369	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-45.5	-176.8	-61.3	174.7	0	0	0	110.8	I660 K664 S665	I660-I662 HydrophobicContact CD1-CG1 3.92Å; I660-I662 HydrophobicContact CG1-CG1 4.02Å; I660-I662 HydrophobicContact CG2-CG1 4.46Å; I662-K664 VanDerWaalsContact C-N 3.27Å; I662-K664 PolarHBondContact O-N 2.76Å; I662-S665 PolarHBondContact O-N 3.27Å; I662-S665 VanDerWaalsContact O-N 3.07Å
663	E	91.5	Very high	94.8	Very high	182 Å²	182	57.4 Å²	57.4	85%	0.85	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-37.9	-178.4	-64.8	173.7	-171.4	0	0	112.5	N661	N661-E663 PolarHBondContact OD1-N 2.76Å
664	K	91.8	Very high	94.6	Very high	151 Å²	151	59.7 Å²	59.7	66%	0.657	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	2.3	179.9	-62.5	-173.3	-178.5	178.5	0	113.7	N661 I662 S666	N661-K664 HydrophobicContact CB-CB 4.42Å; N661-K664 PolarHBondContact O-N 3.16Å; N661-K664 PolarHBondContact OD1-N 2.76Å; I662-K664 VanDerWaalsContact C-N 3.27Å; I662-K664 PolarHBondContact O-N 2.76Å; K664-S666 WeakPolarHBondContact CB-OG 3.38Å; K664-S666 PolarHBondContact O-N 3.47Å
665	S	92.8	Very high	94.7	Very high	64 Å²	64	54.4 Å²	54.4	45%	0.448	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	44.4	-174	-62.1	0	0	0	0	112.5	N661 I662	N661-S665 PolarHBondContact O-N 3.37Å; N661-S665 VanDerWaalsContact O-N 3.1Å; I662-S665 PolarHBondContact O-N 3.27Å; I662-S665 VanDerWaalsContact O-N 3.07Å
666	S	93.7	Very high	94.8	Very high	32 Å²	32	56.2 Å²	56.2	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	167.8	-171.9	68.6	0	0	0	0	112.6	N661 K664	N661-S666 PolarHBondContact N-O 3.39Å; N661-S666 PolarHBondContact O-N 3.13Å; N661-S666 VanDerWaalsContact O-N 3.08Å; K664-S666 WeakPolarHBondContact CB-OG 3.38Å; K664-S666 PolarHBondContact O-N 3.47Å
667	V	95	Very high	94.9	Very high	6 Å²	6	57.4 Å²	57.4	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.8	168.3	-60.9	0	0	0	0	111.3	L576 I591 I593 L658 E659 W680	L576-V667 HydrophobicContact CD2-CB 4.48Å; L576-V667 HydrophobicContact CD2-CG1 3.54Å; L576-V667 HydrophobicContact CD2-CG2 4.39Å; I591-V667 HydrophobicContact CG2-CG2 4.34Å; I593-V667 HydrophobicContact CG2-CG1 3.51Å; L658-V667 HydrophobicContact CD1-CB 3.71Å; L658-V667 HydrophobicContact CD1-CG2 3.84Å; L658-V667 HydrophobicContact CG-CB 4.43Å; E659-V667 WeakPolarHBondContact O-CA 3.44Å; V667-W680 HydrophobicContact CG1-CH2 3.81Å; V667-W680 HydrophobicContact CG1-CZ2 4.34Å
668	Q	94.8	Very high	94.9	Very high	61 Å²	61	57.4 Å²	57.4	29%	0.285	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.6	-177.2	52.5	177.4	15.5	0	0	112.2	H627 E659 T670	H627-Q668 CarbonylContact O-C 3.48Å; H627-Q668 VanDerWaalsContact O-CA 3.23Å; H627-Q668 WeakPolarHBondContact O-CA 3.21Å; E659-Q668 HydrophobicContact CB-CG 4.47Å; E659-Q668 PolarHBondContact N-O 3.29Å; E659-Q668 PolarHBondContact O-N 2.98Å; E659-Q668 PolarHBondContact OE1-NE2 3.11Å; Q668-T670 HydrophobicContact CB-CG2 4.5Å; Q668-T670 HydrophobicContact CG-CG2 3.8Å
669	L	95.6	Very high	94.9	Very high	5 Å²	5	60 Å²	60	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.3	171.9	-71.7	172	0	0	0	110.5	H627 I629 H653 K656 C657 L658	H627-L669 PolarHBondContact ND1-O 2.84Å; H627-L669 PolarHBondContact O-N 3.41Å; I629-L669 HydrophobicContact CD1-CD1 4.47Å; I629-L669 HydrophobicContact CD1-CD2 4.14Å; I629-L669 HydrophobicContact CD1-CG 4.17Å; I629-L669 HydrophobicContact CG1-CD1 4.17Å; I629-L669 HydrophobicContact CG1-CG 4.1Å; H653-L669 HydrophobicContact CB-CD1 4.08Å; H653-L669 HydrophobicContact CB-CD2 3.96Å; K656-L669 HydrophobicContact CB-CB 4.09Å; K656-L669 HydrophobicContact CB-CD2 4.45Å; K656-L669 HydrophobicContact CD-CB 4.17Å; C657-L669 WeakPolarHBondContact O-CA 3.48Å; L658-L669 HydrophobicContact CB-CD2 4.42Å
670	T	95.6	Very high	95	Very high	29 Å²	29	58.4 Å²	58.4	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	173.6	-178.7	59.8	0	0	0	0	111.6	K656 C657 E659 Q668 Q678	K656-T670 CarbonylContact C-O 3.52Å; K656-T670 WeakPolarHBondContact CA-O 3.43Å; K656-T670 WeakPolarHBondContact CB-O 3.03Å; C657-T670 PolarHBondContact N-O 3.04Å; C657-T670 PolarHBondContact O-N 3.27Å; E659-T670 HydrophobicContact CB-CG2 4.39Å; E659-T670 WeakPolarHBondContact CB-OG1 3.12Å; E659-T670 PolarHBondContact OE2-OG1 3.2Å; Q668-T670 HydrophobicContact CB-CG2 4.5Å; Q668-T670 HydrophobicContact CG-CG2 3.8Å; T670-Q678 PolarHBondContact OG1-NE2 2.85Å
671	A	96.4	Very high	95	Very high	72 Å²	72	63.9 Å²	63.9	60%	0.595	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.5	171.2	0	0	0	0	0	110	T673 Q678	A671-T673 PolarHBondContact O-N 2.05Å; A671-Q678 PolarHBondContact O-NE2 2.82Å
672	C	96.5	Very high	95.1	Very high	57 Å²	57	62.6 Å²	62.6	39%	0.385	35%	0.348	S	S	.	.			trans	-68.9	117.8	178.6	-65.3	0	0	0	0	110.4	C657	C657-C672 HydrophobicContact CB-CB 4Å; C657-C672 WeakPolarHBondContact CB-SG 3.2Å; C657-C672 PolarHBondContact N-SG 3.24Å; C657-C672 WeakPolarHBondContact SG-CB 3.19Å; C657-C672 CovalentContact SG-SG 2.05Å; C657-C672 PolarHBondContact SG-SG 3.33Å
673	T	96.1	Very high	95.2	Very high	97 Å²	97	63.1 Å²	63.1	60%	0.595	35%	0.352	S	S	*	.			trans	-109.7	-16.7	-178.2	57.1	0	0	0	0	113.1	A671 S675 Q678	A671-T673 PolarHBondContact O-N 2.05Å; T673-S675 PolarHBondContact O-N 2.83Å; T673-S675 PolarHBondContact OG1-N 2.88Å; T673-S675 PolarHBondContact OG1-OG 2.9Å; T673-S675 VanDerWaalsContact OG1-OG 3.11Å; T673-Q678 PolarHBondContact OG1-NE2 3.14Å; T673-Q678 PolarHBondContact OG1-OE1 3.33Å
674	G	90.4	Very high	95.4	Very high	54 Å²	54	60 Å²	60	56%	0.557	33%	0.332	S	S	*	.			trans	74.9	9.6	-172.7	0	0	0	0	0	114.1
675	S	95.1	Very high	95.5	Very high	42 Å²	42	59.2 Å²	59.2	29%	0.294	33%	0.329	S	S	.	.			trans	-69.9	156.2	177.8	67.5	0	0	0	0	112.5	T673 K677 Q678	T673-S675 PolarHBondContact O-N 2.83Å; T673-S675 PolarHBondContact OG1-N 2.88Å; T673-S675 PolarHBondContact OG1-OG 2.9Å; T673-S675 VanDerWaalsContact OG1-OG 3.11Å; S675-K677 PolarHBondContact O-N 2.89Å; S675-K677 VanDerWaalsContact O-N 3.07Å; S675-Q678 PolarHBondContact O-N 3.13Å
676	L	95.8	Very high	95.4	Very high	106 Å²	106	58.9 Å²	58.9	56%	0.555	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-56.9	-24.3	173.5	-65.4	178.6	0	0	0	112.9	Q678 Q679	L676-Q678 PolarHBondContact O-N 2.64Å; L676-Q679 VanDerWaalsContact CD2-OE1 3.27Å; L676-Q679 PolarHBondContact O-N 3.48Å
677	K	96.7	Very high	95.3	Very high	109 Å²	109	59.9 Å²	59.9	47%	0.474	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-68.2	-15.8	175.2	-67.2	-174.2	-180	-178.5	0	113.3	A571 E659 I660 S675	A571-K677 HydrophobicContact CB-CG 4.16Å; E659-K677 WeakPolarHBondContact CA-O 3.48Å; E659-K677 HydrophobicContact CG-CB 3.93Å; I660-K677 HydrophobicContact CG2-CB 3.83Å; I660-K677 HydrophobicContact CG2-CG 4.08Å; I660-K677 WeakPolarHBondContact CG2-O 3.41Å; I660-K677 PolarHBondContact N-O 3.23Å; S675-K677 PolarHBondContact O-N 2.89Å; S675-K677 VanDerWaalsContact O-N 3.07Å
678	Q	97.7	Very high	95.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-108.1	0.4	179.6	-63.6	-177.1	-3.9	0	0	113.3	C657 L658 E659 T670 A671 T673 S675 L676 W680	C657-Q678 HydrophobicContact CB-CB 4.34Å; C657-Q678 HydrophobicContact CB-CG 4.29Å; L658-Q678 WeakPolarHBondContact O-CA 3.22Å; E659-Q678 HydrophobicContact CB-CG 3.84Å; E659-Q678 HydrophobicContact CG-CG 3.81Å; E659-Q678 PolarHBondContact OE2-NE2 3.49Å; T670-Q678 PolarHBondContact OG1-NE2 2.85Å; A671-Q678 PolarHBondContact O-NE2 2.82Å; T673-Q678 PolarHBondContact OG1-NE2 3.14Å; T673-Q678 PolarHBondContact OG1-OE1 3.33Å; S675-Q678 PolarHBondContact O-N 3.13Å; L676-Q678 PolarHBondContact O-N 2.64Å; Q678-W680 VanDerWaalsContact O-CD1 3.27Å; Q678-W680 PolarHBondContact O-NE1 2.97Å
679	Q	97.7	Very high	94.8	Very high	56 Å²	56	61.1 Å²	61.1	26%	0.262	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-97.6	135.2	177.6	-71.2	-179.4	-12.4	0	0	110.6	A570 D649 L676	A570-Q679 HydrophobicContact CB-CB 3.65Å; A570-Q679 WeakPolarHBondContact CB-O 3.39Å; A570-Q679 PolarHBondContact N-O 2.9Å; D649-Q679 HydrophobicContact CB-CB 4.5Å; D649-Q679 CarbonylContact O-C 3.46Å; D649-Q679 WeakPolarHBondContact O-CA 3.45Å; L676-Q679 VanDerWaalsContact CD2-OE1 3.27Å; L676-Q679 PolarHBondContact O-N 3.48Å
680	W	97.9	Very high	94.3	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.7	-173.5	-58.9	91.8	0	0	0	109.5	I567 E568 L576 Y645 D649 I651 L658 I660 V667 Q678 F682	I567-W680 HydrophobicContact CG2-CB 3.83Å; I567-W680 HydrophobicContact CG2-CD2 4.06Å; I567-W680 HydrophobicContact CG2-CE3 3.72Å; I567-W680 HydrophobicContact CG2-CG 4.14Å; E568-W680 CarbonylContact O-C 3.48Å; E568-W680 VanDerWaalsContact O-CA 3.3Å; E568-W680 WeakPolarHBondContact O-CA 3.35Å; L576-W680 HydrophobicContact CD2-CE3 4.32Å; L576-W680 HydrophobicContact CD2-CH2 3.52Å; L576-W680 HydrophobicContact CD2-CZ2 4.36Å; L576-W680 HydrophobicContact CD2-CZ3 3.49Å; L576-W680 VanDerWaalsContact CD2-CZ3 3.49Å; L576-W680 HydrophobicContact CG-CE3 4.22Å; L576-W680 HydrophobicContact CG-CH2 4.3Å; L576-W680 HydrophobicContact CG-CZ3 3.81Å; Y645-W680 WeakPolarHBondContact CE2-O 3.27Å; Y645-W680 PolarHBondContact OH-O 3.16Å; D649-W680 PolarHBondContact O-N 3.19Å; I651-W680 HydrophobicContact CD1-CB 4.05Å; I651-W680 HydrophobicContact CD1-CD2 4.47Å; I651-W680 HydrophobicContact CD1-CG 3.89Å; I651-W680 HydrophobicContact CG1-CB 4.39Å; I651-W680 HydrophobicContact CG1-CG 4.27Å; L658-W680 HydrophobicContact CB-CZ2 4.47Å; L658-W680 HydrophobicContact CD2-CZ2 4.08Å; L658-W680 HydrophobicContact CG-CZ2 3.75Å; L658-W680 PolarHBondContact O-NE1 3.44Å; I660-W680 HydrophobicContact CB-CH2 3.91Å; I660-W680 HydrophobicContact CB-CZ2 4.26Å; I660-W680 HydrophobicContact CG1-CH2 4.47Å; V667-W680 HydrophobicContact CG1-CH2 3.81Å; V667-W680 HydrophobicContact CG1-CZ2 4.34Å; Q678-W680 VanDerWaalsContact O-CD1 3.27Å; Q678-W680 PolarHBondContact O-NE1 2.97Å; W680-F682 PolarHBondContact O-N 3.09Å
681	K	97.1	Very high	93.4	Very high	115 Å²	115	64.5 Å²	64.5	50%	0.5	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	104.7	169.4	-59.4	177.3	-164.9	158.7	0	108.2	E568	E568-K681 HydrophobicContact CB-CB 4.26Å; E568-K681 PolarHBondContact N-O 2.83Å; E568-K681 PolarHBondContact O-N 2.93Å; E568-K681 IonicContact OE1-NZ 3.79Å; E568-K681 PolarHBondContact OE1-NZ 3.11Å
682	F	96.6	Very high	92.2	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119	170.7	-168.2	-169.9	0	0	0	109.1	A563 I567 W605 L607 Y645 W680 R684	A563-F682 HydrophobicContact CB-CD1 3.65Å; A563-F682 HydrophobicContact CB-CD2 3.95Å; A563-F682 HydrophobicContact CB-CE1 3.7Å; A563-F682 HydrophobicContact CB-CE2 3.97Å; A563-F682 HydrophobicContact CB-CG 3.78Å; A563-F682 HydrophobicContact CB-CZ 3.85Å; I567-F682 HydrophobicContact CD1-CD1 4.04Å; I567-F682 HydrophobicContact CD1-CE1 3.86Å; I567-F682 HydrophobicContact CD1-CE2 4.43Å; I567-F682 HydrophobicContact CD1-CG 4.39Å; I567-F682 HydrophobicContact CD1-CZ 4.1Å; I567-F682 HydrophobicContact CG1-CB 4.28Å; I567-F682 HydrophobicContact CG1-CD1 3.92Å; I567-F682 HydrophobicContact CG1-CD2 3.75Å; I567-F682 HydrophobicContact CG1-CE1 4.07Å; I567-F682 HydrophobicContact CG1-CE2 3.92Å; I567-F682 HydrophobicContact CG1-CG 3.76Å; I567-F682 HydrophobicContact CG1-CZ 4.09Å; W605-F682 HydrophobicContact CB-CE2 4.32Å; W605-F682 HydrophobicContact CB-CZ 4Å; L607-F682 HydrophobicContact CB-CE1 3.77Å; L607-F682 HydrophobicContact CB-CZ 4.25Å; Y645-F682 HydrophobicContact CD1-CB 4.36Å; Y645-F682 HydrophobicContact CD1-CD1 4.39Å; Y645-F682 HydrophobicContact CE1-CB 3.79Å; Y645-F682 WeakPolarHBondContact CE1-O 3.37Å; Y645-F682 HydrophobicContact CE2-CB 4.19Å; Y645-F682 PolarHBondContact OH-N 3.38Å; Y645-F682 VanDerWaalsContact OH-N 3.11Å; Y645-F682 PolarHBondContact OH-O 2.87Å; W680-F682 PolarHBondContact O-N 3.09Å; F682-R684 PolarHBondContact O-N 2.76Å; F682-R684 VanDerWaalsContact O-N 3.09Å
683	N	95.1	Very high	90.7	Very high	83 Å²	83	66.8 Å²	66.8	44%	0.444	36%	0.355	S	S	.	.			trans	-64.6	112.2	-173.6	169.8	35.1	0	0	0	110.8	A563 S564 K685	A563-N683 CarbonylContact C-O 3.55Å; A563-N683 WeakPolarHBondContact CA-O 3.46Å; A563-N683 VanDerWaalsContact CB-O 3.3Å; A563-N683 WeakPolarHBondContact CB-O 3.41Å; S564-N683 PolarHBondContact N-O 3.2Å; S564-N683 WeakPolarHBondContact O-CB 3.48Å; N683-K685 PolarHBondContact O-N 3.26Å; N683-K685 WeakPolarHBondContact OD1-CG 3.34Å
684	R	95.6	Very high	88.8	Confident	116 Å²	116	65 Å²	65	44%	0.438	34%	0.339	S	S	.	.			trans	-74.2	50.9	-179.4	-62.7	-178.9	176.9	80.1	-1.1	112.4	L562 Y645 G646 D649 F682	L562-R684 CarbonylContact O-C 3.47Å; L562-R684 WeakPolarHBondContact O-CA 3.45Å; Y645-R684 HydrophobicContact CD1-CG 4.33Å; Y645-R684 HydrophobicContact CE1-CG 3.74Å; Y645-R684 VanDerWaalsContact CE1-NH2 3.3Å; Y645-R684 VanDerWaalsContact CZ-CZ 3.49Å; Y645-R684 PolarHBondContact OH-NH1 3.09Å; Y645-R684 PolarHBondContact OH-NH2 2.83Å; G646-R684 PolarHBondContact O-NH2 2.68Å; D649-R684 IonicContact OD1-CZ 3.83Å; D649-R684 IonicContact OD1-NH1 2.9Å; D649-R684 PolarHBondContact OD1-NH1 2.91Å; D649-R684 IonicContact OD1-NH2 3.98Å; D649-R684 PolarHBondContact OD1-NH2 3.44Å; F682-R684 PolarHBondContact O-N 2.76Å; F682-R684 VanDerWaalsContact O-N 3.09Å
685	K	93.1	Very high	86.7	Confident	134 Å²	134	69.2 Å²	69.2	58%	0.583	35%	0.349	S	S	*	.	S	Bend	trans	-128.9	144.6	174.4	-68.5	-179.1	-178.5	178.6	0	109.3	A563 S564 N683	A563-K685 CarbonylContact C-O 3.55Å; S564-K685 WeakPolarHBondContact CB-O 3.43Å; S564-K685 PolarHBondContact N-O 3.07Å; S564-K685 VanDerWaalsContact N-O 3.16Å; S564-K685 PolarHBondContact OG-O 2.67Å; N683-K685 PolarHBondContact O-N 3.26Å; N683-K685 WeakPolarHBondContact OD1-CG 3.34Å
686	P	91.5	Very high	84.2	Confident	57 Å²	57	77.4 Å²	77.4	37%	0.37	37%	0.373	S	S	.	.			trans	-63.9	156.2	172.1	27.9	-34.5	0	0	0	111	S559 A561 S564 M688	S559-P686 WeakPolarHBondContact O-CB 3.4Å; A561-P686 VanDerWaalsContact O-CA 3.27Å; A561-P686 WeakPolarHBondContact O-CA 3.33Å; A561-P686 WeakPolarHBondContact O-CB 3.3Å; S564-P686 PolarHBondContact OG-O 3.06Å; P686-M688 PolarHBondContact O-N 2.72Å
687	Y	91.3	Very high	81.3	Confident	53 Å²	53	79.6 Å²	79.6	21%	0.208	38%	0.379	C	S	.	.			trans	-80.2	114.8	174.7	-179.3	-124.6	0	0	0	110.1	F514 P558 S564 F604 L606 P689	F514-Y687 HydrophobicContact CD1-CD1 4.35Å; F514-Y687 HydrophobicContact CD1-CE1 4.48Å; F514-Y687 HydrophobicContact CE1-CD1 4.25Å; P558-Y687 CarbonylContact C-O 3.54Å; P558-Y687 HydrophobicContact CB-CD1 3.68Å; P558-Y687 HydrophobicContact CB-CG 4.37Å; P558-Y687 PolarHBondContact O-N 3.38Å; S564-Y687 PolarHBondContact OG-N 3.03Å; F604-Y687 HydrophobicContact CE1-CG 4.48Å; F604-Y687 AromaticContact CE2-CD2 3.92Å; F604-Y687 HydrophobicContact CE2-CD2 3.92Å; F604-Y687 AromaticContact CE2-CE2 3.86Å; F604-Y687 HydrophobicContact CE2-CE2 3.86Å; F604-Y687 HydrophobicContact CZ-CD1 4.13Å; F604-Y687 AromaticContact CZ-CD2 3.43Å; F604-Y687 HydrophobicContact CZ-CD2 3.43Å; F604-Y687 VanDerWaalsContact CZ-CD2 3.43Å; F604-Y687 HydrophobicContact CZ-CE1 4.26Å; F604-Y687 AromaticContact CZ-CE2 3.59Å; F604-Y687 HydrophobicContact CZ-CE2 3.59Å; F604-Y687 AromaticContact CZ-CG 3.7Å; F604-Y687 HydrophobicContact CZ-CG 3.7Å; F604-Y687 AromaticContact CZ-CZ 3.99Å; L606-Y687 HydrophobicContact CD2-CG 4.23Å; Y687-P689 HydrophobicContact CD1-CG 4.23Å; Y687-P689 HydrophobicContact CE1-CB 4.02Å; Y687-P689 HydrophobicContact CE1-CG 3.66Å; Y687-P689 HydrophobicContact CE2-CB 3.91Å; Y687-P689 HydrophobicContact CE2-CG 4.36Å; Y687-P689 WeakPolarHBondContact OH-CB 3.45Å
688	M	90.4	Very high	80.6	Confident	90 Å²	90	78.1 Å²	78.1	44%	0.443	37%	0.374	S	S	.	.			trans	-129.8	80.7	178.4	-71.9	-68.5	-161.6	0	0	108.5	S559 P686 T690	S559-M688 VanDerWaalsContact CB-SD 3.56Å; P686-M688 PolarHBondContact O-N 2.72Å; M688-T690 PolarHBondContact O-N 2.88Å
689	P	88.7	Confident	79.7	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.019	39%	0.393	C	S	.	.			trans	-68.4	135.6	-173.6	27.4	-33.5	0	0	0	111.4	R513 F514 A517 F521 Y687	R513-P689 HydrophobicContact CG-CG 4.3Å; F514-P689 HydrophobicContact CD1-CG 3.99Å; F514-P689 HydrophobicContact CE1-CG 4.24Å; A517-P689 HydrophobicContact CB-CB 3.65Å; A517-P689 HydrophobicContact CB-CG 3.67Å; F521-P689 HydrophobicContact CE2-CB 4.11Å; F521-P689 HydrophobicContact CZ-CB 3.93Å; Y687-P689 HydrophobicContact CD1-CG 4.23Å; Y687-P689 HydrophobicContact CE1-CB 4.02Å; Y687-P689 HydrophobicContact CE1-CG 3.66Å; Y687-P689 HydrophobicContact CE2-CB 3.91Å; Y687-P689 HydrophobicContact CE2-CG 4.36Å; Y687-P689 WeakPolarHBondContact OH-CB 3.45Å
690	T	84.7	Confident	78.6	Confident	59 Å²	59	83.7 Å²	83.7	36%	0.362	40%	0.401	S	S	.	.			trans	-118.8	159.1	170.8	73.2	0	0	0	0	110.8	M688 N692 D693 F694	M688-T690 PolarHBondContact O-N 2.88Å; T690-N692 PolarHBondContact O-N 3.39Å; T690-N692 PolarHBondContact OG1-N 3.45Å; T690-D693 WeakPolarHBondContact CB-OD2 3.4Å; T690-D693 PolarHBondContact N-OD2 2.75Å; T690-D693 WeakPolarHBondContact O-CB 3.23Å; T690-D693 PolarHBondContact O-N 2.66Å; T690-D693 VanDerWaalsContact O-N 3.1Å; T690-D693 PolarHBondContact OG1-N 3.36Å; T690-D693 PolarHBondContact OG1-OD2 2.77Å; T690-F694 PolarHBondContact O-N 2.89Å
691	A	76.6	Confident	77.5	Confident	47 Å²	47	88.5 Å²	88.5	39%	0.388	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-31.2	174.5	0	0	0	0	0	112.2	F521 D693 F694 N695	F521-A691 HydrophobicContact CD1-CB 3.96Å; F521-A691 HydrophobicContact CE1-CB 4.44Å; F521-A691 HydrophobicContact CG-CB 4.27Å; A691-D693 VanDerWaalsContact C-N 3.32Å; A691-D693 PolarHBondContact O-N 3.33Å; A691-F694 PolarHBondContact O-N 3.15Å; A691-N695 PolarHBondContact O-N 2.84Å; A691-N695 VanDerWaalsContact O-N 3.12Å
692	N	71.6	Confident	76.3	Confident	117 Å²	117	86.9 Å²	86.9	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-69.2	-30.1	177.8	-72	-14.5	0	0	0	112.8	T690	T690-N692 PolarHBondContact O-N 3.39Å; T690-N692 PolarHBondContact OG1-N 3.45Å
693	D	64	Low	74.9	Confident	60 Å²	60	92.4 Å²	92.4	32%	0.321	45%	0.446	S	S	.	.	H	α-helix	trans	-66.9	-42.9	175.1	-57	-47.8	0	0	0	109.5	T690 A691 N695 R696 F697	T690-D693 WeakPolarHBondContact CB-OD2 3.4Å; T690-D693 PolarHBondContact N-OD2 2.75Å; T690-D693 WeakPolarHBondContact O-CB 3.23Å; T690-D693 PolarHBondContact O-N 2.66Å; T690-D693 VanDerWaalsContact O-N 3.1Å; T690-D693 PolarHBondContact OG1-N 3.36Å; T690-D693 PolarHBondContact OG1-OD2 2.77Å; A691-D693 VanDerWaalsContact C-N 3.32Å; A691-D693 PolarHBondContact O-N 3.33Å; D693-N695 PolarHBondContact O-N 3.38Å; D693-R696 WeakPolarHBondContact O-CB 3.41Å; D693-R696 PolarHBondContact O-N 3.23Å; D693-R696 VanDerWaalsContact O-N 3.11Å; D693-F697 VanDerWaalsContact C-CD2 3.45Å; D693-F697 HydrophobicContact CB-CE2 3.85Å; D693-F697 WeakPolarHBondContact O-CD2 3.5Å; D693-F697 WeakPolarHBondContact O-CE2 3.14Å; D693-F697 WeakPolarHBondContact O-CG 3.1Å
694	F	57.7	Low	73.5	Confident	60 Å²	60	93.1 Å²	93.1	26%	0.263	45%	0.446	S	S	.	.	H	α-helix	trans	-68.2	-32.6	178	-99.5	-92.2	0	0	0	115.1	A517 F521 T690 A691 R696 F697	A517-F694 HydrophobicContact CB-CE2 3.97Å; A517-F694 WeakPolarHBondContact O-CZ 3.45Å; F521-F694 HydrophobicContact CD2-CB 3.76Å; F521-F694 HydrophobicContact CD2-CD1 4.47Å; F521-F694 AromaticContact CD2-CD2 3.27Å; F521-F694 HydrophobicContact CD2-CD2 3.27Å; F521-F694 AromaticContact CD2-CE2 3.91Å; F521-F694 HydrophobicContact CD2-CE2 3.91Å; F521-F694 AromaticContact CD2-CG 3.56Å; F521-F694 HydrophobicContact CD2-CG 3.56Å; F521-F694 HydrophobicContact CE2-CB 4.41Å; F521-F694 AromaticContact CE2-CD2 3.27Å; F521-F694 HydrophobicContact CE2-CD2 3.27Å; F521-F694 AromaticContact CE2-CE2 3.73Å; F521-F694 HydrophobicContact CE2-CE2 3.73Å; F521-F694 HydrophobicContact CE2-CG 4.06Å; T690-F694 PolarHBondContact O-N 2.89Å; A691-F694 PolarHBondContact O-N 3.15Å; F694-R696 PolarHBondContact O-N 3.37Å; F694-F697 PolarHBondContact O-N 3.06Å
695	N	46.6	Very low	71.8	Confident	141 Å²	141	91.3 Å²	91.3	75%	0.754	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10	173.6	-71.7	-25.4	0	0	0	113.1	A691 D693	A691-N695 PolarHBondContact O-N 2.84Å; A691-N695 VanDerWaalsContact O-N 3.12Å; D693-N695 PolarHBondContact O-N 3.38Å
696	R	42	Very low	70	Confident	215 Å²	215	87.8 Å²	87.8	81%	0.811	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.1	170	-68	-179.9	-179.9	-175.5	0.6	113.1	D693 F694	D693-R696 WeakPolarHBondContact O-CB 3.41Å; D693-R696 PolarHBondContact O-N 3.23Å; D693-R696 VanDerWaalsContact O-N 3.11Å; F694-R696 PolarHBondContact O-N 3.37Å
697	F	35.1	Very low	68.1	Low	151 Å²	151	90.5 Å²	90.5	66%	0.662	44%	0.442	S	S	*	.			trans	-105.9	0	-174.6	-65.6	-51.5	0	0	0	113.7	K598 D693 F694	K598-F697 VanDerWaalsContact O-CD1 3.3Å; K598-F697 WeakPolarHBondContact O-CD1 3.29Å; K598-F697 WeakPolarHBondContact O-CE1 3.48Å; D693-F697 VanDerWaalsContact C-CD2 3.45Å; D693-F697 HydrophobicContact CB-CE2 3.85Å; D693-F697 WeakPolarHBondContact O-CD2 3.5Å; D693-F697 WeakPolarHBondContact O-CE2 3.14Å; D693-F697 WeakPolarHBondContact O-CG 3.1Å; F694-F697 PolarHBondContact O-N 3.06Å

Retrieved 697 of 697 residues in 1045.4 ms (Link to these results)

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