FUT11_ARATH Loading...

Glycoprotein 3-alpha-L-fucosyltransferase A

Involved in cell wall synthesis (Probable). Preferentially catalyzes the addition of fucose in alpha 1-3 linkage to the first GlcNAc residue next to the peptide chains in N-glycans^1,2,3.

AlphaFold DB , UniProt , Accession Q9LJK1, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene FUT11, Length 501 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	32.7	Very low	28.6	Very low	253 Å²	253	159.8 Å²	159.8	100%	1.246	88%	0.877	S	S	*	*				0	130.5	0	-78.3	-171.6	-122.1	0	0	108.1
2	G	33	Very low	28.8	Very low	82 Å²	82	160.4 Å²	160.4	85%	0.845	88%	0.876	S	S	*	*			trans	149.9	65.1	-176.4	0	0	0	0	0	110.9
3	V	27.7	Very low	28.5	Very low	126 Å²	126	152.7 Å²	152.7	76%	0.764	86%	0.856	S	S	*	*			trans	-110.7	122.4	169.3	174.2	0	0	0	0	106.4
4	F	35.7	Very low	28	Very low	202 Å²	202	153 Å²	153	89%	0.886	85%	0.853	S	S	*	*			trans	179.3	145.7	152.6	-76.6	-59.8	0	0	0	106
5	S	29.6	Very low	27.9	Very low	99 Å²	99	152.5 Å²	152.5	69%	0.692	86%	0.856	S	S	*	*			cis	-167.7	147.6	-17.9	-109.6	0	0	0	0	106
6	N	25.2	Very low	27.5	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	85%	0.85	S	S	*	*			trans	-56.1	135.1	177	-67.7	-55.9	0	0	0	113.4
7	L	31.4	Very low	27.5	Very low	184 Å²	184	156.2 Å²	156.2	96%	0.963	86%	0.856	S	S	*	*			trans	-107.1	121	158.5	-84	161.3	0	0	0	108.7
8	R	25.3	Very low	27.1	Very low	242 Å²	242	156.4 Å²	156.4	91%	0.913	85%	0.85	S	S	*	*			trans	-121	128.3	-172.5	-168.4	-173.4	-164.7	-171.5	5.6	108.6
9	G	23.2	Very low	26.9	Very low	71 Å²	71	155.5 Å²	155.5	73%	0.732	84%	0.844	S	S	*	*			trans	78.7	142.2	157	0	0	0	0	0	116.7
10	P	27.3	Very low	26.9	Very low	129 Å²	129	154 Å²	154	84%	0.838	84%	0.842	S	S	*	*				-132.8	151.4	79	32.5	-18.1	0	0	0	115.4
11	K	23.3	Very low	26.6	Very low	208 Å²	208	152.4 Å²	152.4	90%	0.904	84%	0.837	S	S	*	*			trans	-87.7	132.6	165.3	-73.5	176.6	172.9	-179.2	0	108.5
12	I	31.2	Very low	26.4	Very low	167 Å²	167	146.8 Å²	146.8	86%	0.856	82%	0.817	S	S	*	*			trans	-134.9	125.2	157	-62.5	179.4	0	0	0	106.9
13	G	25.4	Very low	25.9	Very low	60 Å²	60	146.6 Å²	146.6	62%	0.619	81%	0.807	S	S	*	*			trans	-97.8	158.2	-178.7	0	0	0	0	0	113
14	L	21.5	Very low	25.9	Very low	157 Å²	157	148.8 Å²	148.8	82%	0.822	81%	0.814	S	S	*	*			trans	35.5	120.3	134	-68.2	161.6	0	0	0	118.8
15	T	26.4	Very low	25.4	Very low	146 Å²	146	141.9 Å²	141.9	90%	0.896	80%	0.8	S	S	*	*				-160.3	136.7	114.9	39	0	0	0	0	111.2
16	H	21.4	Very low	25.1	Very low	165 Å²	165	142.4 Å²	142.4	76%	0.764	80%	0.804	S	S	*	*			trans	-70.8	149.6	168	-84.1	-106.2	0	0	0	111.6
17	E	27.3	Very low	25	Very low	202 Å²	202	140.6 Å²	140.6	94%	0.944	80%	0.798	S	S	*	*			trans	-150.7	125.3	146.2	-120.6	178.6	164.4	0	0	110.2
18	E	21.1	Very low	24.7	Very low	161 Å²	161	137 Å²	137	75%	0.752	79%	0.789	S	S	*	*			trans	-104.2	147.8	178.5	-81.7	-178.5	144.1	0	0	110.5
19	L	22.1	Very low	24.6	Very low	139 Å²	139	130.2 Å²	130.2	73%	0.728	78%	0.779	S	S	*	*			trans	61.4	138.4	149.9	-67.7	163.6	0	0	0	119.8	V21	L19-V21 HydrophobicContact CD2-CG2 4.07Å
20	P	26.6	Very low	24.7	Very low	124 Å²	124	132.3 Å²	132.3	81%	0.805	78%	0.782	S	S	*	*				-138	140.2	99.5	32.4	-17.5	0	0	0	114.8
21	V	21.7	Very low	24.7	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	78%	0.779	S	S	*	*			trans	-95.7	128.2	161.7	166.2	0	0	0	0	107.2	L19	L19-V21 HydrophobicContact CD2-CG2 4.07Å
22	V	28.8	Very low	24.6	Very low	135 Å²	135	126.9 Å²	126.9	82%	0.818	77%	0.773	S	S	*	*			trans	-115.2	116.1	166.7	178	0	0	0	0	108.2
23	A	22.1	Very low	24.3	Very low	77 Å²	77	124.5 Å²	124.5	64%	0.636	77%	0.769	S	S	*	*			trans	-103.5	139.8	164.5	0	0	0	0	0	108.6
24	N	27.3	Very low	24.2	Very low	172 Å²	172	126.3 Å²	126.3	92%	0.92	77%	0.772	S	S	*	*			trans	170.6	139.8	158.7	-89	-16	0	0	0	104.9
25	G	24.7	Very low	24.3	Very low	57 Å²	57	123.8 Å²	123.8	59%	0.588	77%	0.767	S	S	*	*			cis	173.8	123.9	7.3	0	0	0	0	0	102.5
26	S	23.2	Very low	24.4	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	77%	0.767	S	S	*	*				79.4	134.1	103.2	63.8	0	0	0	0	116.2
27	T	24	Very low	24.5	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	77%	0.772	S	S	*	*			trans	94.5	116.5	141.6	35.4	0	0	0	0	122.1
28	S	24.6	Very low	24.6	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	77%	0.769	S	S	*	*				80.7	140	129.9	69.2	0	0	0	0	117.1
29	S	23.7	Very low	25.1	Very low	99 Å²	99	132.2 Å²	132.2	69%	0.692	78%	0.778	S	S	*	*			cis	177.3	156.8	-6.2	43.1	0	0	0	0	106.3
30	S	25.3	Very low	25.7	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	78%	0.783	S	S	*	*			trans	67.8	141.2	160.8	73	0	0	0	0	117.3
31	S	26.3	Very low	26.5	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	77%	0.769	S	S	*	*			cis	-164.5	144.5	5.1	37.6	0	0	0	0	108.4
32	S	20.9	Very low	27.8	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	77%	0.769	S	S	*	*			trans	-61.2	151.4	164.8	-44.6	0	0	0	0	111.5
33	P	26.2	Very low	28.9	Very low	116 Å²	116	129.7 Å²	129.7	75%	0.753	76%	0.758	S	S	*	*				-143.4	143.6	100.9	32.3	-15	0	0	0	116.1
34	S	23.4	Very low	30.3	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	76%	0.76	S	S	*	*			trans	20.2	117.8	143.9	60.7	0	0	0	0	121.6
35	S	22.7	Very low	32	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	74%	0.744	S	S	*	*				26.4	113.3	126.7	64.2	0	0	0	0	119.7
36	F	28.3	Very low	34.4	Very low	205 Å²	205	129.9 Å²	129.9	90%	0.899	74%	0.738	S	S	*	*				-146.2	118.2	127.3	-119.7	-86.7	0	0	0	110.2	R38	F36-R38 PolarHBondContact O-N 3.22Å
37	K	24.5	Very low	36.8	Very low	198 Å²	198	127.8 Å²	127.8	86%	0.861	72%	0.723	S	S	*	*			trans	-59.8	127.1	168.4	-70.1	172.9	175.6	174.5	0	108.9
38	R	30	Very low	39.2	Very low	232 Å²	232	126 Å²	126	88%	0.875	71%	0.712	S	S	*	*			trans	-154.4	117.4	141.8	-106.3	169	-167.1	-172.8	3.4	108.8	F36 V40	F36-R38 PolarHBondContact O-N 3.22Å; R38-V40 PolarHBondContact O-N 2.88Å
39	K	30.2	Very low	41.8	Very low	217 Å²	217	123.2 Å²	123.2	94%	0.943	70%	0.695	S	S	*	*			trans	-52.9	104.3	174.5	-70.1	172	173.4	179	0	108.9
40	V	34.7	Very low	44.4	Very low	138 Å²	138	123 Å²	123	84%	0.836	69%	0.686	S	S	*	*			trans	-93.8	122.3	158.6	178.9	0	0	0	0	106.4	R38 T42	R38-V40 PolarHBondContact O-N 2.88Å; V40-T42 PolarHBondContact O-N 3.1Å
41	S	43.3	Very low	46.9	Very low	74 Å²	74	121.8 Å²	121.8	52%	0.517	67%	0.673	S	S	.	*			trans	-43.4	120.7	-169.5	-172.8	0	0	0	0	114.7	F43	S41-F43 PolarHBondContact O-N 2.72Å; S41-F43 WeakPolarHBondContact OG-CD2 3.41Å
42	T	49.1	Very low	49.4	Very low	118 Å²	118	120.2 Å²	120.2	72%	0.724	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	0.9	173.4	-26.4	0	0	0	0	114	V40	V40-T42 PolarHBondContact O-N 3.1Å
43	F	52.8	Low	52	Low	137 Å²	137	119.6 Å²	119.6	60%	0.601	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-19.6	-177.4	-74.5	-82.2	0	0	0	113.9	S41 I46 C47	S41-F43 PolarHBondContact O-N 2.72Å; S41-F43 WeakPolarHBondContact OG-CD2 3.41Å; F43-I46 PolarHBondContact O-N 2.72Å; F43-C47 PolarHBondContact O-N 3.28Å; F43-C47 PolarHBondContact O-SG 3.49Å
44	L	51.8	Low	54.3	Low	127 Å²	127	119.4 Å²	119.4	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-61.5	-43.6	-176.4	-162.2	69.8	0	0	0	113.6	I46 C47 V48	L44-I46 VanDerWaalsContact C-N 3.3Å; L44-I46 PolarHBondContact O-N 3.34Å; L44-C47 PolarHBondContact O-N 3.49Å; L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.16Å; L44-V48 PolarHBondContact O-N 2.9Å
45	P	62.5	Low	56.5	Low	92 Å²	92	120.1 Å²	120.1	60%	0.597	63%	0.63	S	S	*	*	H	α-helix	trans	-64.9	-35	177	-17.2	30.4	0	0	0	112.6	V48 A49	P45-V48 PolarHBondContact O-N 2.99Å; P45-A49 WeakPolarHBondContact O-CB 3.22Å; P45-A49 PolarHBondContact O-N 2.85Å
46	I	74.4	Confident	58.8	Low	91 Å²	91	119.9 Å²	119.9	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-70.9	-43.1	-179.9	-60	173.7	0	0	0	110.1	F43 L44 A49 L50	F43-I46 PolarHBondContact O-N 2.72Å; L44-I46 VanDerWaalsContact C-N 3.3Å; L44-I46 PolarHBondContact O-N 3.34Å; I46-A49 PolarHBondContact O-N 2.63Å; I46-L50 HydrophobicContact CG2-CD1 4.13Å; I46-L50 WeakPolarHBondContact O-CB 3.38Å; I46-L50 WeakPolarHBondContact O-CG 3.42Å; I46-L50 PolarHBondContact O-N 3.35Å
47	C	73.7	Confident	60.4	Low	66 Å²	66	112.5 Å²	112.5	45%	0.446	60%	0.601	S	S	.	*	H	α-helix	trans	-62.7	-42.1	174.5	-68.3	0	0	0	0	111.5	F43 L44 L50 V51	F43-C47 PolarHBondContact O-N 3.28Å; F43-C47 PolarHBondContact O-SG 3.49Å; L44-C47 PolarHBondContact O-N 3.49Å; C47-L50 PolarHBondContact O-N 2.84Å; C47-V51 VanDerWaalsContact O-CG2 3.3Å; C47-V51 WeakPolarHBondContact O-CG2 3.43Å; C47-V51 PolarHBondContact O-N 3.05Å
48	V	75.6	Confident	62.3	Low	87 Å²	87	111.6 Å²	111.6	53%	0.527	60%	0.598	S	S	.	*	H	α-helix	trans	-62.9	-44.5	176.2	172.9	0	0	0	0	111	L44 P45 L50 V51 V52	L44-V48 VanDerWaalsContact O-CG2 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.16Å; L44-V48 PolarHBondContact O-N 2.9Å; P45-V48 PolarHBondContact O-N 2.99Å; V48-L50 PolarHBondContact O-N 2.96Å; V48-V51 PolarHBondContact O-N 3.16Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.67Å
49	A	77.5	Confident	63.3	Low	51 Å²	51	107.1 Å²	107.1	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-62.4	-41.4	177	0	0	0	0	0	112.6	P45 I46 V52 I53	P45-A49 WeakPolarHBondContact O-CB 3.22Å; P45-A49 PolarHBondContact O-N 2.85Å; I46-A49 PolarHBondContact O-N 2.63Å; A49-V52 PolarHBondContact O-N 2.89Å; A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.24Å
50	L	78.6	Confident	63.8	Low	95 Å²	95	100.2 Å²	100.2	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-65.3	-42.3	177.3	-81.7	166.1	0	0	0	112.4	I46 C47 V48 V52 I53 I54	I46-L50 HydrophobicContact CG2-CD1 4.13Å; I46-L50 WeakPolarHBondContact O-CB 3.38Å; I46-L50 WeakPolarHBondContact O-CG 3.42Å; I46-L50 PolarHBondContact O-N 3.35Å; C47-L50 PolarHBondContact O-N 2.84Å; V48-L50 PolarHBondContact O-N 2.96Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-I53 PolarHBondContact O-N 3.44Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.22Å; L50-I54 PolarHBondContact O-N 3.27Å
51	V	78.4	Confident	64.1	Low	88 Å²	88	105.1 Å²	105.1	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-64.3	-41.1	177.1	173.1	0	0	0	0	110.7	C47 V48 I53 I54 E55	C47-V51 VanDerWaalsContact O-CG2 3.3Å; C47-V51 WeakPolarHBondContact O-CG2 3.43Å; C47-V51 PolarHBondContact O-N 3.05Å; V48-V51 PolarHBondContact O-N 3.16Å; V51-I53 VanDerWaalsContact C-N 3.34Å; V51-I53 PolarHBondContact O-N 3.39Å; V51-I54 PolarHBondContact O-N 2.04Å; V51-E55 HydrophobicContact CG1-CG 4.49Å; V51-E55 WeakPolarHBondContact O-CB 3.42Å; V51-E55 WeakPolarHBondContact O-CG 3.38Å; V51-E55 PolarHBondContact O-N 3.33Å
52	V	78.9	Confident	64	Low	76 Å²	76	108.2 Å²	108.2	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-62.2	-40.6	175.3	171.5	0	0	0	0	111.5	V48 A49 L50 I56	V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.67Å; A49-V52 PolarHBondContact O-N 2.89Å; L50-V52 VanDerWaalsContact C-N 3.34Å; V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.41Å; V52-I56 WeakPolarHBondContact O-CB 3.5Å; V52-I56 WeakPolarHBondContact O-CD1 3.02Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 3.02Å
53	I	74.7	Confident	63.6	Low	101 Å²	101	110.4 Å²	110.4	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-67.3	-40	177.4	-68.8	165.1	0	0	0	111.5	A49 L50 V51 I56 G57	A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.24Å; L50-I53 PolarHBondContact O-N 3.44Å; V51-I53 VanDerWaalsContact C-N 3.34Å; V51-I53 PolarHBondContact O-N 3.39Å; I53-I56 PolarHBondContact O-N 3.07Å; I53-G57 PolarHBondContact O-N 2.88Å
54	I	75.4	Confident	63.2	Low	113 Å²	113	109.3 Å²	109.3	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-66.7	-42.8	177.5	-68.6	167.2	0	0	0	110.7	L50 V51 G57 F58	L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.22Å; L50-I54 PolarHBondContact O-N 3.27Å; V51-I54 PolarHBondContact O-N 2.04Å; I54-G57 PolarHBondContact O-N 2.76Å; I54-F58 PolarHBondContact O-N 2.81Å
55	E	70.2	Confident	62.8	Low	114 Å²	114	107.3 Å²	107.3	53%	0.533	59%	0.591	S	S	.	*	H	α-helix	trans	-62.8	-44.6	175.2	-80.2	-75.8	167.2	0	0	111.8	V51 G57 F58 L59	V51-E55 HydrophobicContact CG1-CG 4.49Å; V51-E55 WeakPolarHBondContact O-CB 3.42Å; V51-E55 WeakPolarHBondContact O-CG 3.38Å; V51-E55 PolarHBondContact O-N 3.33Å; E55-G57 VanDerWaalsContact C-N 3.29Å; E55-G57 PolarHBondContact O-N 3.42Å; E55-F58 PolarHBondContact O-N 3.5Å; E55-F58 VanDerWaalsContact O-N 3.17Å; E55-L59 WeakPolarHBondContact O-CB 3.16Å; E55-L59 WeakPolarHBondContact O-CG 3.06Å; E55-L59 PolarHBondContact O-N 2.97Å
56	I	70.8	Confident	61.9	Low	97 Å²	97	106.6 Å²	106.6	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-61.7	-40	174.4	-68.6	166.2	0	0	0	110.6	V52 I53 F58 L59 C60	V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.41Å; V52-I56 WeakPolarHBondContact O-CB 3.5Å; V52-I56 WeakPolarHBondContact O-CD1 3.02Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 3.02Å; I53-I56 PolarHBondContact O-N 3.07Å; I56-F58 VanDerWaalsContact C-N 3.34Å; I56-L59 PolarHBondContact O-N 2.94Å; I56-C60 VanDerWaalsContact O-CB 3.31Å; I56-C60 WeakPolarHBondContact O-CB 3.33Å; I56-C60 PolarHBondContact O-N 3.42Å
57	G	61.5	Low	60.7	Low	51 Å²	51	107.8 Å²	107.8	53%	0.526	60%	0.595	S	S	.	*	H	α-helix	trans	-65.5	-33.9	175.4	0	0	0	0	0	113.5	I53 I54 E55	I53-G57 PolarHBondContact O-N 2.88Å; I54-G57 PolarHBondContact O-N 2.76Å; E55-G57 VanDerWaalsContact C-N 3.29Å; E55-G57 PolarHBondContact O-N 3.42Å
58	F	64.5	Low	59.6	Low	179 Å²	179	109.3 Å²	109.3	79%	0.785	60%	0.603	S	S	*	*	H	α-helix	trans	-76.1	-35.3	177.5	-132.7	-91.5	0	0	0	112.3	I54 E55 I56	I54-F58 PolarHBondContact O-N 2.81Å; E55-F58 PolarHBondContact O-N 3.5Å; E55-F58 VanDerWaalsContact O-N 3.17Å; I56-F58 VanDerWaalsContact C-N 3.34Å
59	L	50	Low	58.5	Low	138 Å²	138	110.7 Å²	110.7	72%	0.723	61%	0.607	S	S	*	*	H	α-helix	trans	-75.7	-32.3	177.4	-71.3	169.9	0	0	0	112.6	E55 I56 R61	E55-L59 WeakPolarHBondContact O-CB 3.16Å; E55-L59 WeakPolarHBondContact O-CG 3.06Å; E55-L59 PolarHBondContact O-N 2.97Å; I56-L59 PolarHBondContact O-N 2.94Å; L59-R61 PolarHBondContact O-N 3.4Å
60	C	41.5	Very low	57.3	Low	71 Å²	71	112.2 Å²	112.2	48%	0.48	61%	0.611	S	S	.	*			trans	-102	72.7	-179.2	-68.6	0	0	0	0	111.2	I56 L62	I56-C60 VanDerWaalsContact O-CB 3.31Å; I56-C60 WeakPolarHBondContact O-CB 3.33Å; I56-C60 PolarHBondContact O-N 3.42Å; C60-L62 PolarHBondContact O-N 3.36Å
61	R	40.9	Very low	55.5	Low	241 Å²	241	111.3 Å²	111.3	91%	0.909	61%	0.606	S	S	*	*			trans	-63.1	68.1	153.4	-88.6	-169.2	169.4	-160.9	-0.9	110	L59	L59-R61 PolarHBondContact O-N 3.4Å
62	L	41.4	Very low	54.1	Low	139 Å²	139	110.1 Å²	110.1	73%	0.728	60%	0.599	S	S	*	*			trans	-123.4	105.6	174.1	-76.6	169.1	0	0	0	108.5	C60 N64	C60-L62 PolarHBondContact O-N 3.36Å; L62-N64 PolarHBondContact O-N 3.14Å
63	D	41.1	Very low	52.6	Low	164 Å²	164	113.8 Å²	113.8	88%	0.877	61%	0.611	S	S	*	*			trans	-49.1	101.1	161.6	-82.1	-38.8	0	0	0	109.3
64	N	43.1	Very low	51.1	Low	114 Å²	114	116.6 Å²	116.6	61%	0.61	62%	0.62	S	S	*	*			trans	-153.2	91.4	157.8	-94.6	-29.4	0	0	0	108.4	L62 S66 L67	L62-N64 PolarHBondContact O-N 3.14Å; N64-S66 PolarHBondContact O-N 2.94Å; N64-L67 PolarHBondContact O-N 3.19Å; N64-L67 VanDerWaalsContact O-N 3.11Å
65	A	44.7	Very low	49.3	Very low	85 Å²	85	118.3 Å²	118.3	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-53.1	-16.9	174.4	0	0	0	0	0	113.7	L67 D69	A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.13Å; A65-D69 PolarHBondContact O-N 3.29Å
66	S	44	Very low	47.7	Very low	77 Å²	77	118.2 Å²	118.2	54%	0.538	63%	0.631	S	S	.	*	H	α-helix	trans	-68.3	-26.8	176.9	56.8	0	0	0	0	114.2	N64 T70	N64-S66 PolarHBondContact O-N 2.94Å; S66-T70 PolarHBondContact O-N 3.17Å; S66-T70 PolarHBondContact O-OG1 3.05Å
67	L	48.5	Very low	45.9	Very low	116 Å²	116	122.8 Å²	122.8	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-83.1	-33	-178.3	-147	142.8	0	0	0	111.2	N64 A65 T70 L71	N64-L67 PolarHBondContact O-N 3.19Å; N64-L67 VanDerWaalsContact O-N 3.11Å; A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.13Å; L67-T70 PolarHBondContact O-N 3.14Å; L67-L71 HydrophobicContact CD2-CD1 3.38Å; L67-L71 HydrophobicContact CG-CD1 4.47Å; L67-L71 WeakPolarHBondContact O-CD1 3.22Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-L71 VanDerWaalsContact O-N 3.17Å
68	V	51.1	Low	44.4	Very low	99 Å²	99	124.8 Å²	124.8	60%	0.6	65%	0.653	S	S	*	*	H	α-helix	trans	-66.2	-40.2	173.6	-178.1	0	0	0	0	110.8	T70 L71 T72	V68-T70 VanDerWaalsContact C-N 3.31Å; V68-T70 PolarHBondContact O-N 2.65Å; V68-L71 PolarHBondContact O-N 3.49Å; V68-T72 HydrophobicContact CG1-CG2 4.37Å; V68-T72 PolarHBondContact O-N 3.23Å; V68-T72 PolarHBondContact O-OG1 2.8Å
69	D	51	Low	43.1	Very low	116 Å²	116	121.1 Å²	121.1	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-68	-31.4	179.2	-129.2	19.1	0	0	0	112.9	A65 T72	A65-D69 PolarHBondContact O-N 3.29Å; D69-T72 WeakPolarHBondContact CA-OG1 3.33Å; D69-T72 PolarHBondContact O-OG1 2.84Å
70	T	53.3	Low	42.4	Very low	83 Å²	83	119.4 Å²	119.4	51%	0.509	65%	0.649	S	S	.	*	H	α-helix	trans	-72.7	-37.8	175.8	-50.1	0	0	0	0	111	S66 L67 V68 H73 F74	S66-T70 PolarHBondContact O-N 3.17Å; S66-T70 PolarHBondContact O-OG1 3.05Å; L67-T70 PolarHBondContact O-N 3.14Å; V68-T70 VanDerWaalsContact C-N 3.31Å; V68-T70 PolarHBondContact O-N 2.65Å; T70-H73 WeakPolarHBondContact O-CB 3.27Å; T70-F74 WeakPolarHBondContact O-CD2 3.45Å
71	L	40	Very low	41.9	Very low	75 Å²	75	123.5 Å²	123.5	39%	0.393	67%	0.666	S	S	.	*	H	α-helix	trans	-84.1	-31.5	-177.7	-88	137.2	0	0	0	114.1	L67 V68 H73 F74 F75	L67-L71 HydrophobicContact CD2-CD1 3.38Å; L67-L71 HydrophobicContact CG-CD1 4.47Å; L67-L71 WeakPolarHBondContact O-CD1 3.22Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-L71 VanDerWaalsContact O-N 3.17Å; V68-L71 PolarHBondContact O-N 3.49Å; L71-H73 PolarHBondContact O-N 3.26Å; L71-F74 PolarHBondContact O-N 2.94Å; L71-F75 HydrophobicContact CB-CD2 4.45Å; L71-F75 HydrophobicContact CB-CE2 4.49Å; L71-F75 HydrophobicContact CD2-CD2 4.17Å; L71-F75 HydrophobicContact CD2-CE2 3.46Å; L71-F75 VanDerWaalsContact CD2-CE2 3.46Å; L71-F75 HydrophobicContact CD2-CZ 4.33Å; L71-F75 VanDerWaalsContact O-CD2 3.25Å; L71-F75 WeakPolarHBondContact O-CD2 3.23Å; L71-F75 PolarHBondContact O-N 3.23Å
72	T	49.1	Very low	41.5	Very low	63 Å²	63	118.5 Å²	118.5	39%	0.387	66%	0.657	S	S	.	*	H	α-helix	trans	-59.1	-32.4	168	40.5	0	0	0	0	110.8	V68 D69 F74 F75 T76	V68-T72 HydrophobicContact CG1-CG2 4.37Å; V68-T72 PolarHBondContact O-N 3.23Å; V68-T72 PolarHBondContact O-OG1 2.8Å; D69-T72 WeakPolarHBondContact CA-OG1 3.33Å; D69-T72 PolarHBondContact O-OG1 2.84Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 PolarHBondContact O-N 3.24Å; T72-F75 PolarHBondContact O-N 3.43Å; T72-T76 WeakPolarHBondContact O-CB 3.45Å; T72-T76 WeakPolarHBondContact O-CG2 3.39Å; T72-T76 PolarHBondContact O-N 3.47Å; T72-T76 PolarHBondContact O-OG1 2.65Å
73	H	48	Very low	41.1	Very low	154 Å²	154	120.9 Å²	120.9	71%	0.713	66%	0.661	S	S	*	*	H	α-helix	trans	-67	-27.7	172.7	-120.6	-67.6	0	0	0	114	T70 L71	T70-H73 WeakPolarHBondContact O-CB 3.27Å; L71-H73 PolarHBondContact O-N 3.26Å
74	F	42.3	Very low	40.8	Very low	159 Å²	159	119.5 Å²	119.5	70%	0.697	66%	0.658	S	S	*	*	H	α-helix	trans	-83.2	-35.9	175.2	-86.1	-79	0	0	0	112.8	T70 L71 T72	T70-F74 WeakPolarHBondContact O-CD2 3.45Å; L71-F74 PolarHBondContact O-N 2.94Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 PolarHBondContact O-N 3.24Å
75	F	37.5	Very low	40.7	Very low	150 Å²	150	114.9 Å²	114.9	66%	0.658	64%	0.637	S	S	*	*	H	α-helix	trans	-94	-17.4	-174.2	-69.2	-68.2	0	0	0	115.7	L71 T72 K77	L71-F75 HydrophobicContact CB-CD2 4.45Å; L71-F75 HydrophobicContact CB-CE2 4.49Å; L71-F75 HydrophobicContact CD2-CD2 4.17Å; L71-F75 HydrophobicContact CD2-CE2 3.46Å; L71-F75 VanDerWaalsContact CD2-CE2 3.46Å; L71-F75 HydrophobicContact CD2-CZ 4.33Å; L71-F75 VanDerWaalsContact O-CD2 3.25Å; L71-F75 WeakPolarHBondContact O-CD2 3.23Å; L71-F75 PolarHBondContact O-N 3.23Å; T72-F75 PolarHBondContact O-N 3.43Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.46Å
76	T	38.2	Very low	41.3	Very low	111 Å²	111	113.6 Å²	113.6	68%	0.681	62%	0.623	S	S	*	*	S	Bend	trans	-81.8	-1.1	174.8	52.4	0	0	0	0	113.9	T72 S78	T72-T76 WeakPolarHBondContact O-CB 3.45Å; T72-T76 WeakPolarHBondContact O-CG2 3.39Å; T72-T76 PolarHBondContact O-N 3.47Å; T72-T76 PolarHBondContact O-OG1 2.65Å; T76-S78 PolarHBondContact O-N 2.95Å
77	K	32.3	Very low	42.3	Very low	194 Å²	194	111.7 Å²	111.7	84%	0.843	62%	0.616	S	S	*	*			trans	-81.4	51.3	161.4	-107.8	177.9	179.7	173.3	0	111.4	F75	F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.46Å
78	S	30.5	Very low	43.2	Very low	93 Å²	93	107.2 Å²	107.2	65%	0.65	59%	0.592	S	S	*	*			trans	-83.1	123.5	157.7	178.1	0	0	0	0	108.1	T76 S80	T76-S78 PolarHBondContact O-N 2.95Å; S78-S80 PolarHBondContact O-N 3.32Å
79	S	36.6	Very low	44.5	Very low	101 Å²	101	107.3 Å²	107.3	71%	0.706	59%	0.586	S	S	*	*	S	Bend	trans	-44.4	98.4	178.1	-59.4	0	0	0	0	113.9
80	S	35	Very low	46.3	Very low	103 Å²	103	106.6 Å²	106.6	72%	0.72	58%	0.577	S	S	*	*	S	Bend	trans	-151.3	-9.3	156.3	-45.9	0	0	0	0	116	S78	S78-S80 PolarHBondContact O-N 3.32Å
81	D	31.2	Very low	48.3	Very low	157 Å²	157	102.8 Å²	102.8	84%	0.84	55%	0.554	S	S	*	*			trans	-114.6	58.2	167.6	-80.7	-29.3	0	0	0	110.4	K83	D81-K83 PolarHBondContact O-N 3.49Å
82	L	32	Very low	50.9	Low	136 Å²	136	102.2 Å²	102.2	71%	0.712	55%	0.55	S	S	*	.			trans	-67.9	70	155	-87.7	154.3	0	0	0	107.8	V84	L82-V84 PolarHBondContact O-N 2.86Å
83	K	33	Very low	53	Low	189 Å²	189	105.4 Å²	105.4	82%	0.822	56%	0.56	S	S	*	*			trans	-54.8	115.2	148.1	-81.3	-176.1	178.2	176.6	0	104.4	D81 G85	D81-K83 PolarHBondContact O-N 3.49Å; K83-G85 PolarHBondContact O-N 3.28Å
84	V	36.3	Very low	55.3	Low	135 Å²	135	102.3 Å²	102.3	82%	0.818	54%	0.542	S	S	*	.			trans	-64.9	77.6	168.8	-179.2	0	0	0	0	105.5	L82 S86	L82-V84 PolarHBondContact O-N 2.86Å; V84-S86 PolarHBondContact O-N 3.4Å
85	G	41.2	Very low	57.9	Low	16 Å²	16	94.8 Å²	94.8	17%	0.165	51%	0.509	C	S	.	.			trans	-54.4	127.5	165.9	0	0	0	0	0	105.6	K83 E89	K83-G85 PolarHBondContact O-N 3.28Å; G85-E89 WeakPolarHBondContact CA-OE2 3.48Å
86	S	56.6	Low	60.7	Low	59 Å²	59	91.8 Å²	91.8	41%	0.413	50%	0.497	S	S	.	.			trans	-49.7	148.6	180	176.5	0	0	0	0	109.1	V84 I88 E89	V84-S86 PolarHBondContact O-N 3.4Å; S86-I88 PolarHBondContact O-N 2.87Å; S86-E89 PolarHBondContact O-N 3.31Å; S86-E89 VanDerWaalsContact O-N 3.1Å
87	G	65.4	Low	63.4	Low	36 Å²	36	94.5 Å²	94.5	37%	0.371	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-23.3	177.9	0	0	0	0	0	113.7	C91 R393	G87-C91 PolarHBondContact O-N 2.94Å; G87-R393 PolarHBondContact O-NH1 3.21Å
88	I	66.8	Low	66.3	Low	22 Å²	22	87.3 Å²	87.3	11%	0.113	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-48.4	179	-64.7	148.6	0	0	0	113.7	S86 K90 C91 Q92 E396 V398 K417	S86-I88 PolarHBondContact O-N 2.87Å; I88-K90 PolarHBondContact O-N 3.41Å; I88-C91 WeakPolarHBondContact O-CA 3.46Å; I88-C91 WeakPolarHBondContact O-CB 3.44Å; I88-C91 PolarHBondContact O-N 3.5Å; I88-Q92 PolarHBondContact O-N 3.4Å; I88-E396 WeakPolarHBondContact CD1-OE2 3.34Å; I88-E396 WeakPolarHBondContact CG1-OE2 3.39Å; I88-V398 HydrophobicContact CG2-CG2 4.48Å; I88-K417 VanDerWaalsContact CD1-CE 3.4Å
89	E	77.9	Confident	69.5	Low	102 Å²	102	82.9 Å²	82.9	48%	0.477	44%	0.436	S	S	.	.	H	α-helix	trans	-56.6	-41.3	178.9	-71.7	174.2	166.2	0	0	109.5	G85 S86 C91 Q92 E93	G85-E89 WeakPolarHBondContact CA-OE2 3.48Å; S86-E89 PolarHBondContact O-N 3.31Å; S86-E89 VanDerWaalsContact O-N 3.1Å; E89-C91 VanDerWaalsContact C-N 3.31Å; E89-C91 PolarHBondContact O-N 3.33Å; E89-Q92 PolarHBondContact O-N 3.25Å; E89-E93 WeakPolarHBondContact O-CG 3.49Å; E89-E93 PolarHBondContact O-N 2.74Å
90	K	89.4	Confident	72.1	Confident	100 Å²	100	82.1 Å²	82.1	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-27.6	174.6	-65.6	-179.5	-179.3	178.2	0	114.2	I88 W94	I88-K90 PolarHBondContact O-N 3.41Å; K90-W94 WeakPolarHBondContact O-CB 3.29Å; K90-W94 PolarHBondContact O-N 3.09Å
91	C	94.4	Very high	74.8	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.02	40%	0.402	C	S	.	.	H	α-helix	trans	-76.4	-42.6	173.8	-92.9	0	0	0	0	110.9	G87 I88 E89 W94 L95 C391 V398	G87-C91 PolarHBondContact O-N 2.94Å; I88-C91 WeakPolarHBondContact O-CA 3.46Å; I88-C91 WeakPolarHBondContact O-CB 3.44Å; I88-C91 PolarHBondContact O-N 3.5Å; E89-C91 VanDerWaalsContact C-N 3.31Å; E89-C91 PolarHBondContact O-N 3.33Å; C91-W94 PolarHBondContact O-N 3.06Å; C91-L95 WeakPolarHBondContact O-CB 3.38Å; C91-L95 VanDerWaalsContact O-CG 3.23Å; C91-L95 WeakPolarHBondContact O-CG 3.3Å; C91-L95 PolarHBondContact O-N 3Å; C91-C391 VanDerWaalsContact CA-SG 3.57Å; C91-C391 HydrophobicContact CB-CB 3.6Å; C91-C391 WeakPolarHBondContact CB-SG 3.4Å; C91-C391 WeakPolarHBondContact SG-CB 3.48Å; C91-C391 CovalentContact SG-SG 2.06Å; C91-C391 PolarHBondContact SG-SG 3.34Å; C91-V398 HydrophobicContact CB-CB 4.43Å; C91-V398 HydrophobicContact CB-CG2 4.27Å
92	Q	94.7	Very high	77.7	Confident	64 Å²	64	76.4 Å²	76.4	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-53.6	179.8	-66.1	178.5	-20.5	0	0	111	I88 E89 W94 L95 E96 V398 F415	I88-Q92 PolarHBondContact O-N 3.4Å; E89-Q92 PolarHBondContact O-N 3.25Å; Q92-W94 PolarHBondContact O-N 3.38Å; Q92-L95 PolarHBondContact O-N 3.34Å; Q92-L95 VanDerWaalsContact O-N 3.09Å; Q92-E96 WeakPolarHBondContact O-CG 3.38Å; Q92-E96 PolarHBondContact O-N 3.17Å; Q92-V398 HydrophobicContact CG-CG1 4.36Å; Q92-F415 HydrophobicContact CB-CD1 4.37Å; Q92-F415 HydrophobicContact CB-CD2 4.17Å; Q92-F415 HydrophobicContact CB-CE1 4.39Å; Q92-F415 HydrophobicContact CB-CE2 4.21Å; Q92-F415 HydrophobicContact CB-CG 4.29Å; Q92-F415 HydrophobicContact CB-CZ 4.35Å; Q92-F415 HydrophobicContact CG-CB 4.06Å; Q92-F415 HydrophobicContact CG-CD1 3.96Å; Q92-F415 HydrophobicContact CG-CD2 3.85Å; Q92-F415 HydrophobicContact CG-CE1 4.46Å; Q92-F415 HydrophobicContact CG-CE2 4.38Å; Q92-F415 HydrophobicContact CG-CG 3.64Å
93	E	94.4	Very high	80.7	Confident	129 Å²	129	72.6 Å²	72.6	60%	0.603	37%	0.374	S	S	*	.	H	α-helix	trans	-57.6	-37.1	176.6	-68.5	174.3	175	0	0	112.4	E89 R97	E89-E93 WeakPolarHBondContact O-CG 3.49Å; E89-E93 PolarHBondContact O-N 2.74Å; E93-R97 WeakPolarHBondContact O-CB 3.31Å; E93-R97 PolarHBondContact O-N 3.02Å
94	W	95.7	Very high	83.7	Confident	90 Å²	90	68.4 Å²	68.4	34%	0.341	37%	0.369	S	S	.	.	H	α-helix	trans	-67.5	-48.5	175.9	178.4	86.5	0	0	0	111.2	K90 C91 Q92 R97 V98 P388 C391	K90-W94 WeakPolarHBondContact O-CB 3.29Å; K90-W94 PolarHBondContact O-N 3.09Å; C91-W94 PolarHBondContact O-N 3.06Å; Q92-W94 PolarHBondContact O-N 3.38Å; W94-R97 VanDerWaalsContact CD1-NH2 3.33Å; W94-R97 PolarHBondContact O-N 3.04Å; W94-V98 HydrophobicContact CD2-CG1 4.19Å; W94-V98 HydrophobicContact CD2-CG2 3.92Å; W94-V98 HydrophobicContact CE3-CG2 3.91Å; W94-V98 HydrophobicContact CG-CG1 4.38Å; W94-V98 HydrophobicContact CH2-CG2 3.91Å; W94-V98 HydrophobicContact CZ2-CB 4.5Å; W94-V98 HydrophobicContact CZ2-CG1 4.13Å; W94-V98 HydrophobicContact CZ2-CG2 3.91Å; W94-V98 HydrophobicContact CZ3-CG2 3.91Å; W94-V98 WeakPolarHBondContact O-CG1 3.47Å; W94-V98 VanDerWaalsContact O-CG2 3.29Å; W94-V98 WeakPolarHBondContact O-CG2 3.46Å; W94-V98 PolarHBondContact O-N 2.67Å; W94-P388 HydrophobicContact CH2-CB 3.76Å; W94-P388 HydrophobicContact CH2-CG 3.7Å; W94-P388 HydrophobicContact CZ2-CG 4.4Å; W94-P388 HydrophobicContact CZ3-CB 3.98Å; W94-P388 HydrophobicContact CZ3-CG 4.31Å; W94-C391 HydrophobicContact CE3-CB 4.03Å; W94-C391 HydrophobicContact CZ3-CB 4.04Å
95	L	97.5	Very high	86.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-46.9	178.5	-75.8	168.5	0	0	0	111.9	C91 Q92 R97 V98 D99 P388 C391 V398 H400 F415	C91-L95 WeakPolarHBondContact O-CB 3.38Å; C91-L95 VanDerWaalsContact O-CG 3.23Å; C91-L95 WeakPolarHBondContact O-CG 3.3Å; C91-L95 PolarHBondContact O-N 3Å; Q92-L95 PolarHBondContact O-N 3.34Å; Q92-L95 VanDerWaalsContact O-N 3.09Å; L95-R97 PolarHBondContact O-N 2.61Å; L95-V98 PolarHBondContact O-N 2.91Å; L95-D99 WeakPolarHBondContact CD2-OD2 3.27Å; L95-D99 WeakPolarHBondContact O-CB 3.32Å; L95-D99 PolarHBondContact O-N 3.35Å; L95-P388 HydrophobicContact CD2-CB 4.35Å; L95-C391 HydrophobicContact CD1-CB 3.7Å; L95-C391 HydrophobicContact CD2-CB 4.15Å; L95-C391 HydrophobicContact CG-CB 3.88Å; L95-V398 HydrophobicContact CD1-CB 4.48Å; L95-V398 HydrophobicContact CD1-CG1 4.28Å; L95-H400 HydrophobicContact CB-CB 4.35Å; L95-H400 HydrophobicContact CD1-CB 4.21Å; L95-F415 HydrophobicContact CB-CE1 3.99Å; L95-F415 HydrophobicContact CD1-CD1 4.3Å; L95-F415 HydrophobicContact CD1-CE1 4.28Å
96	E	95.4	Very high	89.2	Confident	88 Å²	88	66 Å²	66	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-54.5	-41.2	175.9	-71.8	-175.4	168.3	0	0	111.7	Q92 S100 F415	Q92-E96 WeakPolarHBondContact O-CG 3.38Å; Q92-E96 PolarHBondContact O-N 3.17Å; E96-S100 VanDerWaalsContact O-CB 3.26Å; E96-S100 WeakPolarHBondContact O-CB 3.36Å; E96-S100 PolarHBondContact O-N 3.04Å; E96-F415 HydrophobicContact CG-CE1 4.43Å; E96-F415 HydrophobicContact CG-CE2 4.08Å; E96-F415 HydrophobicContact CG-CZ 3.45Å; E96-F415 VanDerWaalsContact CG-CZ 3.45Å; E96-F415 WeakPolarHBondContact OE1-CE2 3.13Å
97	R	94.7	Very high	91.1	Very high	168 Å²	168	63.7 Å²	63.7	63%	0.634	33%	0.327	S	S	*	.	H	α-helix	trans	-75.7	-41.9	-179.9	-175.7	173.4	54	74.8	5	113.5	E93 W94 L95	E93-R97 WeakPolarHBondContact O-CB 3.31Å; E93-R97 PolarHBondContact O-N 3.02Å; W94-R97 VanDerWaalsContact CD1-NH2 3.33Å; W94-R97 PolarHBondContact O-N 3.04Å; L95-R97 PolarHBondContact O-N 2.61Å
98	V	94.7	Very high	92.6	Very high	42 Å²	42	66.4 Å²	66.4	26%	0.255	34%	0.337	S	S	.	.	H	α-helix	trans	-87.1	-23	-174.5	-57.5	0	0	0	0	113.8	W94 L95 P388	W94-V98 HydrophobicContact CD2-CG1 4.19Å; W94-V98 HydrophobicContact CD2-CG2 3.92Å; W94-V98 HydrophobicContact CE3-CG2 3.91Å; W94-V98 HydrophobicContact CG-CG1 4.38Å; W94-V98 HydrophobicContact CH2-CG2 3.91Å; W94-V98 HydrophobicContact CZ2-CB 4.5Å; W94-V98 HydrophobicContact CZ2-CG1 4.13Å; W94-V98 HydrophobicContact CZ2-CG2 3.91Å; W94-V98 HydrophobicContact CZ3-CG2 3.91Å; W94-V98 WeakPolarHBondContact O-CG1 3.47Å; W94-V98 VanDerWaalsContact O-CG2 3.29Å; W94-V98 WeakPolarHBondContact O-CG2 3.46Å; W94-V98 PolarHBondContact O-N 2.67Å; L95-V98 PolarHBondContact O-N 2.91Å; V98-P388 HydrophobicContact CG2-CB 4.42Å; V98-P388 HydrophobicContact CG2-CG 3.8Å
99	D	96.2	Very high	94	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	-89.3	-9	173.3	-62.5	-33.9	0	0	0	112.2	L95 V101 R387 P388 C389 H400	L95-D99 WeakPolarHBondContact CD2-OD2 3.27Å; L95-D99 WeakPolarHBondContact O-CB 3.32Å; L95-D99 PolarHBondContact O-N 3.35Å; D99-V101 PolarHBondContact O-N 3.21Å; D99-R387 WeakPolarHBondContact O-CD 3.39Å; D99-P388 WeakPolarHBondContact OD1-CD 3.29Å; D99-P388 VanDerWaalsContact OD1-N 3.15Å; D99-C389 PolarHBondContact OD1-N 3.06Å; D99-C389 WeakPolarHBondContact OD2-CA 3.45Å; D99-C389 PolarHBondContact OD2-N 2.85Å; D99-H400 IonicContact OD2-CE1 3.88Å; D99-H400 IonicContact OD2-CG 3.61Å; D99-H400 IonicContact OD2-ND1 2.8Å; D99-H400 PolarHBondContact OD2-ND1 2.74Å
100	S	92.9	Very high	94.8	Very high	85 Å²	85	71.6 Å²	71.6	59%	0.594	36%	0.36	S	S	*	.			trans	-66.7	115.4	171.5	-175.5	0	0	0	0	109.8	E96	E96-S100 VanDerWaalsContact O-CB 3.26Å; E96-S100 WeakPolarHBondContact O-CB 3.36Å; E96-S100 PolarHBondContact O-N 3.04Å
101	V	89.8	Confident	95.1	Very high	21 Å²	21	68.5 Å²	68.5	13%	0.127	35%	0.35	C	S	.	.			trans	-125	135.8	175.3	176.2	0	0	0	0	107.7	D99 E383 F384 R387	D99-V101 PolarHBondContact O-N 3.21Å; V101-E383 HydrophobicContact CG1-CG 3.9Å; V101-E383 HydrophobicContact CG2-CG 4.48Å; V101-F384 HydrophobicContact CB-CD1 4.05Å; V101-F384 HydrophobicContact CB-CE1 3.76Å; V101-F384 HydrophobicContact CB-CZ 4.04Å; V101-F384 HydrophobicContact CG1-CD1 3.97Å; V101-F384 HydrophobicContact CG1-CD2 3.87Å; V101-F384 HydrophobicContact CG1-CE1 3.61Å; V101-F384 HydrophobicContact CG1-CE2 3.5Å; V101-F384 HydrophobicContact CG1-CG 4.12Å; V101-F384 HydrophobicContact CG1-CZ 3.37Å; V101-R387 HydrophobicContact CG2-CG 3.79Å
102	T	93.1	Very high	95.3	Very high	120 Å²	120	68.4 Å²	68.4	74%	0.736	35%	0.349	S	S	*	.			trans	-83.6	121.3	-179.9	-58.7	0	0	0	0	108.9
103	Y	95.8	Very high	95.3	Very high	55 Å²	55	65.7 Å²	65.7	22%	0.216	34%	0.336	C	S	.	.			trans	-68.1	143.4	172.2	-65.8	-85.4	0	0	0	110.6	R105 R375 E378 E379 F384	Y103-R105 PolarHBondContact O-N 2.97Å; Y103-R375 HydrophobicContact CD1-CB 4.19Å; Y103-R375 HydrophobicContact CD1-CG 3.76Å; Y103-R375 HydrophobicContact CE1-CB 3.74Å; Y103-R375 HydrophobicContact CE1-CG 3.68Å; Y103-R375 HydrophobicContact CG-CG 4.32Å; Y103-E378 WeakPolarHBondContact CA-OE1 3.23Å; Y103-E379 HydrophobicContact CE1-CG 4.03Å; Y103-E379 VanDerWaalsContact CE1-OE1 3.3Å; Y103-E379 WeakPolarHBondContact CE1-OE1 3.39Å; Y103-E379 PolarHBondContact OH-OE1 2.97Å; Y103-F384 HydrophobicContact CD1-CE1 4.01Å; Y103-F384 AromaticContact CD1-CZ 3.56Å; Y103-F384 HydrophobicContact CD1-CZ 3.56Å; Y103-F384 AromaticContact CE1-CE1 3.52Å; Y103-F384 HydrophobicContact CE1-CE1 3.52Å; Y103-F384 AromaticContact CE1-CZ 3.57Å; Y103-F384 HydrophobicContact CE1-CZ 3.57Å; Y103-F384 HydrophobicContact CE2-CE1 4.42Å; Y103-F384 HydrophobicContact CG-CZ 4.16Å; Y103-F384 AromaticContact CZ-CE1 3.75Å
104	S	95.5	Very high	95.5	Very high	102 Å²	102	59.6 Å²	59.6	71%	0.713	31%	0.308	S	S	*	.	S	Bend	trans	-58.7	-32.2	179.2	64.2	0	0	0	0	113.4	E378	S104-E378 WeakPolarHBondContact CB-OE1 3.41Å; S104-E378 PolarHBondContact N-OE1 3.24Å; S104-E378 PolarHBondContact N-OE2 3.44Å; S104-E378 VanDerWaalsContact OG-CD 3.22Å; S104-E378 PolarHBondContact OG-OE1 3.04Å; S104-E378 PolarHBondContact OG-OE2 3.37Å
105	R	96	Very high	95.5	Very high	38 Å²	38	56.5 Å²	56.5	14%	0.143	30%	0.3	C	S	.	.			trans	-114.9	119.1	-178.1	-175.1	170.9	169.9	-176.5	-2	111.6	Y103 F107 D110 P111 D139	Y103-R105 PolarHBondContact O-N 2.97Å; R105-F107 HydrophobicContact CG-CD1 4.05Å; R105-F107 HydrophobicContact CG-CE1 3.89Å; R105-F107 HydrophobicContact CG-CZ 4.5Å; R105-D110 WeakPolarHBondContact CD-OD2 3.41Å; R105-D110 HydrophobicContact CG-CB 4.24Å; R105-D110 IonicContact CZ-OD2 3.77Å; R105-D110 VanDerWaalsContact CZ-OD2 3.27Å; R105-D110 PolarHBondContact NE-O 2.84Å; R105-D110 IonicContact NE-OD2 3.3Å; R105-D110 PolarHBondContact NE-OD2 2.7Å; R105-D110 PolarHBondContact NH2-O 3.21Å; R105-D110 VanDerWaalsContact NH2-O 3.14Å; R105-D110 IonicContact NH2-OD2 3.52Å; R105-P111 PolarHBondContact NH2-O 3.32Å; R105-D139 IonicContact CZ-OD1 2.74Å; R105-D139 IonicContact CZ-OD2 2.7Å; R105-D139 IonicContact NH1-OD1 3.16Å; R105-D139 PolarHBondContact NH1-OD1 3.38Å; R105-D139 IonicContact NH1-OD2 2.7Å; R105-D139 PolarHBondContact NH1-OD2 2.88Å; R105-D139 IonicContact NH2-OD1 2.84Å; R105-D139 IonicContact NH2-OD2 3.64Å; R105-D139 PolarHBondContact NH2-OD2 2.57Å
106	D	96.4	Very high	95.3	Very high	63 Å²	63	57.9 Å²	57.9	34%	0.337	31%	0.314	S	S	.	.			trans	-90.7	104	169.6	179.6	-5.4	0	0	0	109	T108 K109 D110	D106-T108 VanDerWaalsContact CG-OG1 3.3Å; D106-T108 PolarHBondContact O-N 3.42Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 WeakPolarHBondContact OD1-CB 3.42Å; D106-T108 PolarHBondContact OD1-N 2.66Å; D106-T108 VanDerWaalsContact OD1-N 3.08Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; D106-T108 PolarHBondContact OD2-OG1 3.5Å; D106-K109 HydrophobicContact CB-CB 4.5Å; D106-K109 HydrophobicContact CB-CD 4.37Å; D106-K109 PolarHBondContact O-N 2.88Å; D106-K109 VanDerWaalsContact OD2-CD 3.32Å; D106-K109 WeakPolarHBondContact OD2-CD 3.12Å; D106-K109 WeakPolarHBondContact OD2-CE 3.07Å; D106-K109 IonicContact OD2-NZ 2.73Å; D106-K109 PolarHBondContact OD2-NZ 2.83Å; D106-D110 PolarHBondContact O-N 3.11Å
107	F	97.2	Very high	95.1	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.1	-176.4	-62.8	-63.8	0	0	0	113.4	R105 K109 D110 P111 I112 V126 D127 A371 I374 R375 F409	R105-F107 HydrophobicContact CG-CD1 4.05Å; R105-F107 HydrophobicContact CG-CE1 3.89Å; R105-F107 HydrophobicContact CG-CZ 4.5Å; F107-K109 VanDerWaalsContact C-N 3.29Å; F107-K109 PolarHBondContact O-N 3.45Å; F107-D110 CarbonylContact O-C 3.54Å; F107-P111 WeakPolarHBondContact O-CA 3.25Å; F107-P111 VanDerWaalsContact O-N 3.13Å; F107-I112 HydrophobicContact CD1-CD1 3.57Å; F107-I112 HydrophobicContact CD1-CG1 3.98Å; F107-I112 HydrophobicContact CE1-CD1 3.28Å; F107-I112 HydrophobicContact CE1-CG1 4.18Å; F107-I112 HydrophobicContact CZ-CD1 4.07Å; F107-V126 HydrophobicContact CB-CG2 3.85Å; F107-V126 HydrophobicContact CD2-CG2 4.1Å; F107-V126 HydrophobicContact CG-CG2 3.95Å; F107-D127 VanDerWaalsContact O-CB 3.28Å; F107-D127 WeakPolarHBondContact O-CB 3.48Å; F107-A371 HydrophobicContact CD2-CB 4.49Å; F107-A371 HydrophobicContact CE2-CB 4.07Å; F107-A371 HydrophobicContact CZ-CB 4.06Å; F107-I374 HydrophobicContact CE1-CD1 4.22Å; F107-I374 HydrophobicContact CZ-CB 4.29Å; F107-I374 HydrophobicContact CZ-CD1 4.42Å; F107-I374 HydrophobicContact CZ-CG2 4.04Å; F107-R375 HydrophobicContact CE2-CG 4.32Å; F107-F409 AromaticContact CD2-CE1 3.59Å; F107-F409 HydrophobicContact CD2-CE1 3.59Å; F107-F409 AromaticContact CD2-CZ 3.79Å; F107-F409 HydrophobicContact CD2-CZ 3.79Å; F107-F409 AromaticContact CE2-CE1 3.84Å; F107-F409 HydrophobicContact CE2-CE1 3.84Å; F107-F409 AromaticContact CE2-CZ 3.51Å; F107-F409 HydrophobicContact CE2-CZ 3.51Å
108	T	95.8	Very high	95	Very high	93 Å²	93	51.4 Å²	51.4	57%	0.571	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.2	175.2	70.6	0	0	0	0	112.7	D106 D127	D106-T108 VanDerWaalsContact CG-OG1 3.3Å; D106-T108 PolarHBondContact O-N 3.42Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 WeakPolarHBondContact OD1-CB 3.42Å; D106-T108 PolarHBondContact OD1-N 2.66Å; D106-T108 VanDerWaalsContact OD1-N 3.08Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; D106-T108 PolarHBondContact OD2-OG1 3.5Å; T108-D127 VanDerWaalsContact CA-OD2 3.27Å; T108-D127 WeakPolarHBondContact CA-OD2 3.25Å
109	K	96.1	Very high	94.7	Very high	169 Å²	169	54.5 Å²	54.5	74%	0.735	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-32.5	176.8	-64	173.9	-171.7	145.8	0	112.1	D106 F107	D106-K109 HydrophobicContact CB-CB 4.5Å; D106-K109 HydrophobicContact CB-CD 4.37Å; D106-K109 PolarHBondContact O-N 2.88Å; D106-K109 VanDerWaalsContact OD2-CD 3.32Å; D106-K109 WeakPolarHBondContact OD2-CD 3.12Å; D106-K109 WeakPolarHBondContact OD2-CE 3.07Å; D106-K109 IonicContact OD2-NZ 2.73Å; D106-K109 PolarHBondContact OD2-NZ 2.83Å; F107-K109 VanDerWaalsContact C-N 3.29Å; F107-K109 PolarHBondContact O-N 3.45Å
110	D	95.9	Very high	94.3	Very high	63 Å²	63	58.1 Å²	58.1	34%	0.337	33%	0.325	S	S	.	.	S	Bend	trans	-127.3	75.1	179.1	-171.4	38.6	0	0	0	111.9	R105 D106 F107 K136	R105-D110 WeakPolarHBondContact CD-OD2 3.41Å; R105-D110 HydrophobicContact CG-CB 4.24Å; R105-D110 IonicContact CZ-OD2 3.77Å; R105-D110 VanDerWaalsContact CZ-OD2 3.27Å; R105-D110 PolarHBondContact NE-O 2.84Å; R105-D110 IonicContact NE-OD2 3.3Å; R105-D110 PolarHBondContact NE-OD2 2.7Å; R105-D110 PolarHBondContact NH2-O 3.21Å; R105-D110 VanDerWaalsContact NH2-O 3.14Å; R105-D110 IonicContact NH2-OD2 3.52Å; D106-D110 PolarHBondContact O-N 3.11Å; F107-D110 CarbonylContact O-C 3.54Å; D110-K136 WeakPolarHBondContact OD1-CE 3.41Å; D110-K136 IonicContact OD1-NZ 3.21Å; D110-K136 PolarHBondContact OD1-NZ 3.06Å; D110-K136 IonicContact OD2-NZ 3.2Å; D110-K136 PolarHBondContact OD2-NZ 2.79Å; D110-K136 VanDerWaalsContact OD2-NZ 3.15Å
111	P	96.1	Very high	94.2	Very high	36 Å²	36	55 Å²	55	23%	0.234	30%	0.301	C	S	.	.			trans	-55.2	153.8	-175	-27.7	36	0	0	0	113.6	R105 F107 F113 D127 V129 K136	R105-P111 PolarHBondContact NH2-O 3.32Å; F107-P111 WeakPolarHBondContact O-CA 3.25Å; F107-P111 VanDerWaalsContact O-N 3.13Å; P111-F113 PolarHBondContact O-N 3.46Å; P111-D127 WeakPolarHBondContact CA-O 3.17Å; P111-D127 HydrophobicContact CB-CB 4.02Å; P111-D127 HydrophobicContact CG-CB 4.11Å; P111-V129 HydrophobicContact CB-CG2 4.02Å; P111-V129 HydrophobicContact CG-CG2 4.49Å; P111-K136 PolarHBondContact O-NZ 2.93Å
112	I	96.9	Very high	94	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	129.7	169.1	-62	-62.2	0	0	0	108.9	F107 I114 V126 D127 C128 V129 D139 C367 V370 A371 I374	F107-I112 HydrophobicContact CD1-CD1 3.57Å; F107-I112 HydrophobicContact CD1-CG1 3.98Å; F107-I112 HydrophobicContact CE1-CD1 3.28Å; F107-I112 HydrophobicContact CE1-CG1 4.18Å; F107-I112 HydrophobicContact CZ-CD1 4.07Å; I112-I114 HydrophobicContact CG2-CD1 3.72Å; I112-I114 HydrophobicContact CG2-CG1 4.07Å; I112-V126 HydrophobicContact CG1-CG2 4.23Å; I112-D127 PolarHBondContact N-O 3.05Å; I112-C128 HydrophobicContact CB-CB 4.35Å; I112-C128 CarbonylContact O-C 3.4Å; I112-C128 WeakPolarHBondContact O-CA 3.48Å; I112-V129 PolarHBondContact O-N 3.43Å; I112-D139 WeakPolarHBondContact CA-OD2 3.41Å; I112-C367 HydrophobicContact CG2-CB 4.36Å; I112-V370 HydrophobicContact CD1-CG1 4.28Å; I112-V370 HydrophobicContact CG2-CB 4.32Å; I112-V370 HydrophobicContact CG2-CG1 4.11Å; I112-A371 HydrophobicContact CD1-CB 3.83Å; I112-A371 HydrophobicContact CG1-CB 3.93Å; I112-I374 HydrophobicContact CD1-CD1 3.76Å
113	F	96.4	Very high	94	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116	176.1	178	-135.5	0	0	0	111.1	P111 V129 K136 P138 D139 A140	P111-F113 PolarHBondContact O-N 3.46Å; F113-V129 WeakPolarHBondContact CA-O 3.24Å; F113-V129 HydrophobicContact CD2-CB 4.41Å; F113-V129 HydrophobicContact CD2-CG1 4.27Å; F113-K136 HydrophobicContact CB-CD 4.31Å; F113-K136 HydrophobicContact CD1-CB 4.5Å; F113-K136 WeakPolarHBondContact CD1-O 3.45Å; F113-K136 VanDerWaalsContact CE1-O 3.26Å; F113-K136 WeakPolarHBondContact CE1-O 3.28Å; F113-P138 HydrophobicContact CD1-CB 3.77Å; F113-P138 HydrophobicContact CE1-CB 3.77Å; F113-P138 HydrophobicContact CE1-CG 4.33Å; F113-D139 PolarHBondContact N-OD2 3.38Å; F113-D139 PolarHBondContact O-N 2.85Å; F113-A140 PolarHBondContact O-N 2.84Å
114	I	96.8	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.5	174.8	-48	-64.8	0	0	0	109.6	I112 V129 M130 G131 A140 F142 I153 L366 V370	I112-I114 HydrophobicContact CG2-CD1 3.72Å; I112-I114 HydrophobicContact CG2-CG1 4.07Å; I114-V129 PolarHBondContact N-O 3.41Å; I114-M130 HydrophobicContact CB-CE 4Å; I114-M130 HydrophobicContact CB-CG 4.16Å; I114-M130 HydrophobicContact CG2-CE 3.85Å; I114-M130 VanDerWaalsContact O-CA 3.3Å; I114-M130 WeakPolarHBondContact O-CA 3.28Å; I114-G131 PolarHBondContact O-N 2.88Å; I114-A140 CarbonylContact C-O 3.36Å; I114-A140 VanDerWaalsContact CA-O 3.31Å; I114-A140 WeakPolarHBondContact CA-O 3.32Å; I114-A140 HydrophobicContact CD1-CB 3.76Å; I114-F142 HydrophobicContact CG2-CD2 4.21Å; I114-F142 HydrophobicContact CG2-CE2 3.75Å; I114-I153 HydrophobicContact CG2-CD1 3.8Å; I114-L366 HydrophobicContact CD1-CD2 4.49Å; I114-L366 HydrophobicContact CD1-CG 4.4Å; I114-L366 HydrophobicContact CG1-CD2 4.43Å; I114-L366 HydrophobicContact CG2-CD2 3.95Å; I114-V370 HydrophobicContact CD1-CG2 4Å
115	S	96.1	Very high	94	Very high	26 Å²	26	59.1 Å²	59.1	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.9	179.2	-175.5	0	0	0	0	112.8	G131 A140 A141 F142	S115-G131 CarbonylContact C-O 3.5Å; S115-G131 VanDerWaalsContact CA-O 3.24Å; S115-G131 WeakPolarHBondContact CA-O 3.36Å; S115-A140 PolarHBondContact N-O 3.06Å; S115-A141 CarbonylContact O-C 3.45Å; S115-A141 WeakPolarHBondContact O-CA 3.44Å; S115-F142 WeakPolarHBondContact O-CD2 3.33Å; S115-F142 PolarHBondContact O-N 3.42Å
116	G	93.4	Very high	94	Very high	28 Å²	28	57.5 Å²	57.5	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	96.9	11.5	169	0	0	0	0	0	115.9	G131	G116-G131 PolarHBondContact N-O 3.29Å
117	S	92.3	Very high	94.1	Very high	13 Å²	13	58.2 Å²	58.2	9%	0.091	32%	0.315	C	S	.	.	S	Bend	trans	-150.5	151.8	171.3	-177.1	0	0	0	0	110.1	M130 G131 R155	S117-M130 CarbonylContact O-C 3.48Å; S117-M130 WeakPolarHBondContact O-CB 3.35Å; S117-G131 WeakPolarHBondContact O-CA 3.48Å; S117-G131 PolarHBondContact O-N 2.89Å; S117-G131 VanDerWaalsContact O-N 3.08Å; S117-R155 PolarHBondContact OG-NH2 3.22Å
118	N	91.6	Very high	94	Very high	108 Å²	108	58.1 Å²	58.1	58%	0.578	32%	0.315	S	S	*	.			trans	-72.7	154	169.9	-67.9	-38	0	0	0	110.8	D120 F132	N118-D120 PolarHBondContact O-N 3.15Å; N118-F132 WeakPolarHBondContact OD1-CE2 3.5Å
119	K	89.2	Confident	93.9	Very high	107 Å²	107	57.2 Å²	57.2	47%	0.465	31%	0.31	S	S	.	.			trans	-70.9	123.2	169.9	-175.6	173.5	178.9	171.3	0	109.6	F121 M130	K119-F121 HydrophobicContact CD-CZ 4.46Å; K119-F121 VanDerWaalsContact CE-O 3.23Å; K119-F121 WeakPolarHBondContact CE-O 3.28Å; K119-F121 HydrophobicContact CG-CD1 4.16Å; K119-F121 HydrophobicContact CG-CE1 4Å; K119-F121 HydrophobicContact CG-CZ 4.24Å; K119-M130 HydrophobicContact CB-CB 4.22Å
120	D	87.6	Confident	93.9	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.278	S	S	.	.			trans	-120.9	11.7	-173.7	52	8.2	0	0	0	113	N118 R155 H361 S363	N118-D120 PolarHBondContact O-N 3.15Å; D120-R155 IonicContact OD2-NH1 3.35Å; D120-H361 IonicContact OD1-CE1 3.67Å; D120-H361 PolarHBondContact OD1-CE1 3.18Å; D120-H361 IonicContact OD1-ND1 3.1Å; D120-H361 PolarHBondContact OD1-ND1 3.28Å; D120-H361 IonicContact OD2-CE1 3.46Å; D120-H361 PolarHBondContact OD2-CE1 3.07Å; D120-S363 WeakPolarHBondContact OD1-CB 3.44Å; D120-S363 PolarHBondContact OD1-OG 2.74Å; D120-S363 PolarHBondContact OD2-OG 3.01Å; D120-S363 VanDerWaalsContact OD2-OG 3.14Å
121	F	90	Very high	93.8	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.088	27%	0.269	C	S	.	.			trans	-131.6	151.7	-179.5	63.9	-88.5	0	0	0	112.2	K119 S123 C124 C128 M130 H361 C364	K119-F121 HydrophobicContact CD-CZ 4.46Å; K119-F121 VanDerWaalsContact CE-O 3.23Å; K119-F121 WeakPolarHBondContact CE-O 3.28Å; K119-F121 HydrophobicContact CG-CD1 4.16Å; K119-F121 HydrophobicContact CG-CE1 4Å; K119-F121 HydrophobicContact CG-CZ 4.24Å; F121-S123 WeakPolarHBondContact CD2-O 3.3Å; F121-C124 HydrophobicContact CD2-CB 4.15Å; F121-C124 HydrophobicContact CE2-CB 3.58Å; F121-C124 HydrophobicContact CZ-CB 4.36Å; F121-C128 HydrophobicContact CZ-CB 4.15Å; F121-M130 HydrophobicContact CE1-CG 4.36Å; F121-M130 HydrophobicContact CE1-SD 3.75Å; F121-H361 HydrophobicContact CB-CB 3.74Å; F121-C364 HydrophobicContact CD2-CB 4.22Å; F121-C364 HydrophobicContact CE2-CB 4.34Å; F121-C364 HydrophobicContact CG-CB 4.36Å
122	K	87.1	Confident	93.6	Very high	211 Å²	211	52.1 Å²	52.1	92%	0.917	29%	0.285	S	S	*	.	S	Bend	trans	-76.1	-52.7	-176.7	-66.6	179.9	-179.4	174.8	0	112.6
123	S	91.4	Very high	92.8	Very high	100 Å²	100	58.5 Å²	58.5	70%	0.699	32%	0.324	S	S	*	.			trans	-139.7	159.6	-177.5	58.6	0	0	0	0	111	F121	F121-S123 WeakPolarHBondContact CD2-O 3.3Å
124	C	96	Very high	92.1	Very high	31 Å²	31	61.2 Å²	61.2	21%	0.209	34%	0.344	C	S	.	.			trans	-143.2	154.3	174.9	-168.3	0	0	0	0	108.9	F121 V126 C364	F121-C124 HydrophobicContact CD2-CB 4.15Å; F121-C124 HydrophobicContact CE2-CB 3.58Å; F121-C124 HydrophobicContact CZ-CB 4.36Å; C124-V126 WeakPolarHBondContact CB-O 3.4Å; C124-V126 PolarHBondContact O-N 3.17Å; C124-C364 WeakPolarHBondContact CA-SG 3.4Å; C124-C364 HydrophobicContact CB-CB 3.73Å; C124-C364 WeakPolarHBondContact CB-SG 3.23Å; C124-C364 WeakPolarHBondContact SG-CA 3.35Å; C124-C364 WeakPolarHBondContact SG-CB 3.46Å; C124-C364 PolarHBondContact SG-O 2.88Å; C124-C364 CovalentContact SG-SG 2.04Å; C124-C364 PolarHBondContact SG-SG 2.91Å
125	S	95.5	Very high	91.5	Very high	42 Å²	42	70 Å²	70	29%	0.294	39%	0.391	S	S	.	.	S	Bend	trans	-73.5	-8	177.6	57.3	0	0	0	0	113.4	I368 G407 R408 F409	S125-I368 VanDerWaalsContact OG-CD1 3.3Å; S125-I368 WeakPolarHBondContact OG-CD1 3.38Å; S125-G407 PolarHBondContact OG-O 3.49Å; S125-R408 WeakPolarHBondContact OG-CA 3.21Å; S125-F409 PolarHBondContact OG-N 3.26Å; S125-F409 VanDerWaalsContact OG-N 3.11Å
126	V	97.3	Very high	91.1	Very high	5 Å²	5	71.6 Å²	71.6	3%	0.03	40%	0.395	C	S	.	.	S	Bend	trans	-127.7	138.2	168.5	64.6	0	0	0	0	108.7	F107 I112 C124 C128 C367 I368 A371 F409	F107-V126 HydrophobicContact CB-CG2 3.85Å; F107-V126 HydrophobicContact CD2-CG2 4.1Å; F107-V126 HydrophobicContact CG-CG2 3.95Å; I112-V126 HydrophobicContact CG1-CG2 4.23Å; C124-V126 WeakPolarHBondContact CB-O 3.4Å; C124-V126 PolarHBondContact O-N 3.17Å; V126-C128 PolarHBondContact O-N 3.11Å; V126-C367 HydrophobicContact CG1-CB 3.82Å; V126-I368 HydrophobicContact CG1-CG1 3.93Å; V126-A371 HydrophobicContact CG1-CB 4.4Å; V126-A371 HydrophobicContact CG2-CB 3.91Å; V126-F409 HydrophobicContact CB-CB 3.97Å; V126-F409 HydrophobicContact CB-CD1 3.9Å; V126-F409 HydrophobicContact CB-CG 3.88Å; V126-F409 HydrophobicContact CG2-CD1 3.87Å; V126-F409 HydrophobicContact CG2-CE1 4.03Å; V126-F409 HydrophobicContact CG2-CG 4.22Å
127	D	96.8	Very high	91.1	Very high	77 Å²	77	75.7 Å²	75.7	41%	0.412	41%	0.405	S	S	.	.			trans	-61.8	123.5	176.7	-78.6	-52.1	0	0	0	110.5	F107 T108 P111 I112	F107-D127 VanDerWaalsContact O-CB 3.28Å; F107-D127 WeakPolarHBondContact O-CB 3.48Å; T108-D127 VanDerWaalsContact CA-OD2 3.27Å; T108-D127 WeakPolarHBondContact CA-OD2 3.25Å; P111-D127 WeakPolarHBondContact CA-O 3.17Å; P111-D127 HydrophobicContact CB-CB 4.02Å; P111-D127 HydrophobicContact CG-CB 4.11Å; I112-D127 PolarHBondContact N-O 3.05Å
128	C	95.9	Very high	91.2	Very high	8 Å²	8	75.8 Å²	75.8	5%	0.054	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.1	-171.1	-168.8	0	0	0	0	112.1	I112 F121 V126 C367	I112-C128 HydrophobicContact CB-CB 4.35Å; I112-C128 CarbonylContact O-C 3.4Å; I112-C128 WeakPolarHBondContact O-CA 3.48Å; F121-C128 HydrophobicContact CZ-CB 4.15Å; V126-C128 PolarHBondContact O-N 3.11Å; C128-C367 HydrophobicContact CB-CB 3.5Å; C128-C367 VanDerWaalsContact CB-CB 3.5Å; C128-C367 WeakPolarHBondContact CB-SG 3.38Å; C128-C367 WeakPolarHBondContact SG-CB 3.32Å; C128-C367 CovalentContact SG-SG 2.03Å; C128-C367 PolarHBondContact SG-SG 3.34Å
129	V	94.8	Very high	91.5	Very high	75 Å²	75	71.8 Å²	71.8	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.4	177.5	-179.7	0	0	0	0	108.5	P111 I112 F113 I114	P111-V129 HydrophobicContact CB-CG2 4.02Å; P111-V129 HydrophobicContact CG-CG2 4.49Å; I112-V129 PolarHBondContact O-N 3.43Å; F113-V129 WeakPolarHBondContact CA-O 3.24Å; F113-V129 HydrophobicContact CD2-CB 4.41Å; F113-V129 HydrophobicContact CD2-CG1 4.27Å; I114-V129 PolarHBondContact N-O 3.41Å
130	M	94.9	Very high	91.9	Very high	15 Å²	15	66.7 Å²	66.7	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.5	174.2	-54.4	-172.4	77.5	0	0	110	I114 S117 K119 F121 F142	I114-M130 HydrophobicContact CB-CE 4Å; I114-M130 HydrophobicContact CB-CG 4.16Å; I114-M130 HydrophobicContact CG2-CE 3.85Å; I114-M130 VanDerWaalsContact O-CA 3.3Å; I114-M130 WeakPolarHBondContact O-CA 3.28Å; S117-M130 CarbonylContact O-C 3.48Å; S117-M130 WeakPolarHBondContact O-CB 3.35Å; K119-M130 HydrophobicContact CB-CB 4.22Å; F121-M130 HydrophobicContact CE1-CG 4.36Å; F121-M130 HydrophobicContact CE1-SD 3.75Å; M130-F142 HydrophobicContact CE-CE2 3.6Å; M130-F142 HydrophobicContact CE-CZ 4.08Å
131	G	94	Very high	92.4	Very high	13 Å²	13	63.6 Å²	63.6	13%	0.134	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-173.1	177.6	0	0	0	0	0	113.4	I114 S115 G116 S117	I114-G131 PolarHBondContact O-N 2.88Å; S115-G131 CarbonylContact C-O 3.5Å; S115-G131 VanDerWaalsContact CA-O 3.24Å; S115-G131 WeakPolarHBondContact CA-O 3.36Å; G116-G131 PolarHBondContact N-O 3.29Å; S117-G131 WeakPolarHBondContact O-CA 3.48Å; S117-G131 PolarHBondContact O-N 2.89Å; S117-G131 VanDerWaalsContact O-N 3.08Å
132	F	91.2	Very high	92.7	Very high	132 Å²	132	64.7 Å²	64.7	58%	0.579	35%	0.351	S	S	*	.	S	Bend	trans	-100.3	-27	179.5	-64.5	-84.3	0	0	0	112.9	N118	N118-F132 WeakPolarHBondContact OD1-CE2 3.5Å
133	T	81.2	Confident	93.1	Very high	134 Å²	134	56.1 Å²	56.1	82%	0.822	32%	0.322	S	S	*	.			trans	-125.4	129.6	-176.2	52.9	0	0	0	0	110.1
134	S	80.9	Confident	93.2	Very high	65 Å²	65	55.2 Å²	55.2	46%	0.455	31%	0.309	S	S	.	.			trans	-154.8	147.4	169.3	-173	0	0	0	0	108.5	K136	S134-K136 PolarHBondContact O-N 2.85Å; S134-K136 PolarHBondContact OG-N 2.84Å
135	D	83.6	Confident	92.7	Very high	184 Å²	184	55.1 Å²	55.1	98%	0.984	31%	0.309	S	S	*	.	S	Bend	trans	-69	-16.6	170	-57.6	-42.9	0	0	0	111.7
136	K	88.9	Confident	92	Very high	60 Å²	60	61.7 Å²	61.7	26%	0.261	34%	0.335	S	S	.	.	S	Bend	trans	-89.9	139.9	178.9	-176.8	-177.5	170.1	175.4	0	110.9	D110 P111 F113 S134	D110-K136 WeakPolarHBondContact OD1-CE 3.41Å; D110-K136 IonicContact OD1-NZ 3.21Å; D110-K136 PolarHBondContact OD1-NZ 3.06Å; D110-K136 IonicContact OD2-NZ 3.2Å; D110-K136 PolarHBondContact OD2-NZ 2.79Å; D110-K136 VanDerWaalsContact OD2-NZ 3.15Å; P111-K136 PolarHBondContact O-NZ 2.93Å; F113-K136 HydrophobicContact CB-CD 4.31Å; F113-K136 HydrophobicContact CD1-CB 4.5Å; F113-K136 WeakPolarHBondContact CD1-O 3.45Å; F113-K136 VanDerWaalsContact CE1-O 3.26Å; F113-K136 WeakPolarHBondContact CE1-O 3.28Å; S134-K136 PolarHBondContact O-N 2.85Å; S134-K136 PolarHBondContact OG-N 2.84Å
137	K	92.6	Very high	91.5	Very high	115 Å²	115	66.4 Å²	66.4	50%	0.5	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.3	130.1	168.9	-179.4	-174.6	171.7	-166.5	0	111	P148	K137-P148 WeakPolarHBondContact CE-O 3.4Å; K137-P148 PolarHBondContact NZ-O 3.01Å
138	P	95.8	Very high	91.1	Very high	14 Å²	14	68.1 Å²	68.1	9%	0.091	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-65.9	140.4	178.1	24.5	-31.3	0	0	0	112.9	F113 A140 T150	F113-P138 HydrophobicContact CD1-CB 3.77Å; F113-P138 HydrophobicContact CE1-CB 3.77Å; F113-P138 HydrophobicContact CE1-CG 4.33Å; P138-A140 VanDerWaalsContact C-N 3.34Å; P138-A140 WeakPolarHBondContact CB-O 3.4Å; P138-T150 HydrophobicContact CB-CG2 4.07Å; P138-T150 HydrophobicContact CG-CG2 3.77Å; P138-T150 WeakPolarHBondContact O-CB 3.5Å; P138-T150 WeakPolarHBondContact O-CG2 3.26Å; P138-T150 PolarHBondContact O-OG1 3.35Å
139	D	97	Very high	90.8	Very high	24 Å²	24	71 Å²	71	13%	0.128	40%	0.403	C	S	.	.	S	Bend	trans	-70.7	-36.9	169.5	-63.5	-58.7	0	0	0	110.2	R105 I112 F113 L151 V370	R105-D139 IonicContact CZ-OD1 2.74Å; R105-D139 IonicContact CZ-OD2 2.7Å; R105-D139 IonicContact NH1-OD1 3.16Å; R105-D139 PolarHBondContact NH1-OD1 3.38Å; R105-D139 IonicContact NH1-OD2 2.7Å; R105-D139 PolarHBondContact NH1-OD2 2.88Å; R105-D139 IonicContact NH2-OD1 2.84Å; R105-D139 IonicContact NH2-OD2 3.64Å; R105-D139 PolarHBondContact NH2-OD2 2.57Å; I112-D139 WeakPolarHBondContact CA-OD2 3.41Å; F113-D139 PolarHBondContact N-OD2 3.38Å; F113-D139 PolarHBondContact O-N 2.85Å; D139-L151 PolarHBondContact O-N 3.17Å; D139-V370 HydrophobicContact CB-CG1 3.85Å
140	A	97.6	Very high	90.9	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.4	172.4	0	0	0	0	0	111.3	F113 I114 S115 P138 L151 I153 I178 V370	F113-A140 PolarHBondContact O-N 2.84Å; I114-A140 CarbonylContact C-O 3.36Å; I114-A140 VanDerWaalsContact CA-O 3.31Å; I114-A140 WeakPolarHBondContact CA-O 3.32Å; I114-A140 HydrophobicContact CD1-CB 3.76Å; S115-A140 PolarHBondContact N-O 3.06Å; P138-A140 VanDerWaalsContact C-N 3.34Å; P138-A140 WeakPolarHBondContact CB-O 3.4Å; A140-L151 CarbonylContact C-O 3.59Å; A140-L151 WeakPolarHBondContact CA-O 3.15Å; A140-L151 HydrophobicContact CB-CB 3.82Å; A140-L151 WeakPolarHBondContact CB-O 3.12Å; A140-I153 HydrophobicContact CB-CD1 3.45Å; A140-I153 VanDerWaalsContact CB-CD1 3.45Å; A140-I153 HydrophobicContact CB-CG1 3.99Å; A140-I178 HydrophobicContact CB-CD1 4.43Å; A140-V370 HydrophobicContact CB-CG2 4.17Å
141	A	97.1	Very high	91	Very high	11 Å²	11	69.1 Å²	69.1	9%	0.091	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.1	179	0	0	0	0	0	111.6	S115 T150 L151 I153	S115-A141 CarbonylContact O-C 3.45Å; S115-A141 WeakPolarHBondContact O-CA 3.44Å; A141-T150 HydrophobicContact CB-CG2 3.87Å; A141-L151 PolarHBondContact N-O 2.86Å; A141-I153 PolarHBondContact O-N 3.05Å
142	F	96.6	Very high	91.2	Very high	43 Å²	43	68.8 Å²	68.8	19%	0.189	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	134	171.3	-71.2	-80.6	0	0	0	111	I114 S115 M130 I153 R155 M180 L366	I114-F142 HydrophobicContact CG2-CD2 4.21Å; I114-F142 HydrophobicContact CG2-CE2 3.75Å; S115-F142 WeakPolarHBondContact O-CD2 3.33Å; S115-F142 PolarHBondContact O-N 3.42Å; M130-F142 HydrophobicContact CE-CE2 3.6Å; M130-F142 HydrophobicContact CE-CZ 4.08Å; F142-I153 HydrophobicContact CD1-CB 4.07Å; F142-I153 HydrophobicContact CD1-CG2 3.68Å; F142-I153 HydrophobicContact CE1-CB 4.4Å; F142-I153 HydrophobicContact CE1-CG2 3.63Å; F142-I153 HydrophobicContact CZ-CG2 4.49Å; F142-R155 HydrophobicContact CD1-CB 4.1Å; F142-R155 HydrophobicContact CE1-CB 3.7Å; F142-R155 HydrophobicContact CE1-CG 4.43Å; F142-M180 HydrophobicContact CE1-SD 4.35Å; F142-L366 HydrophobicContact CE1-CD2 4.49Å; F142-L366 HydrophobicContact CE2-CD2 4.41Å; F142-L366 HydrophobicContact CZ-CD2 3.84Å
143	G	96.3	Very high	91.6	Very high	30 Å²	30	62.6 Å²	62.6	31%	0.309	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	93	-178	-170.3	0	0	0	0	0	112.5	S145 S152 I153	G143-S145 PolarHBondContact O-N 2.82Å; G143-S152 WeakPolarHBondContact O-CB 3.31Å; G143-I153 PolarHBondContact N-O 2.8Å; G143-I153 PolarHBondContact O-N 3.38Å
144	L	93.7	Very high	92.4	Very high	81 Å²	81	56.9 Å²	56.9	42%	0.424	32%	0.324	S	S	.	.			trans	-78.9	114.2	172	-67.7	172.5	0	0	0	108.2	K174 Y176	L144-K174 WeakPolarHBondContact CD2-O 3.29Å; L144-Y176 HydrophobicContact CD2-CD1 3.8Å; L144-Y176 HydrophobicContact CD2-CD2 4.13Å; L144-Y176 HydrophobicContact CD2-CE1 3.7Å; L144-Y176 HydrophobicContact CD2-CE2 4.02Å; L144-Y176 HydrophobicContact CD2-CG 4.03Å; L144-Y176 HydrophobicContact CG-CD1 4.49Å; L144-Y176 HydrophobicContact CG-CE1 3.89Å; L144-Y176 HydrophobicContact CG-CE2 4.34Å
145	S	84.4	Confident	93.2	Very high	30 Å²	30	58.1 Å²	58.1	21%	0.21	32%	0.319	C	S	.	.			trans	-89.4	134.8	173.4	-175.5	0	0	0	0	110	G143 Q147 S152	G143-S145 PolarHBondContact O-N 2.82Å; S145-Q147 PolarHBondContact OG-N 3.27Å; S145-S152 PolarHBondContact N-OG 3.1Å
146	H	80.6	Confident	93.8	Very high	179 Å²	179	50.5 Å²	50.5	83%	0.829	28%	0.28	S	S	*	.			trans	-95.7	2.2	171.1	-61.8	-65.7	0	0	0	112.6	P148	H146-P148 WeakPolarHBondContact O-CD 3.36Å
147	Q	87.7	Confident	94.2	Very high	105 Å²	105	50.4 Å²	50.4	49%	0.491	28%	0.281	S	S	.	.	S	Bend	trans	-81.1	120	179.5	-66.9	-173.2	-22.2	0	0	110.3	S145 G149 T150	S145-Q147 PolarHBondContact OG-N 3.27Å; Q147-G149 PolarHBondContact O-N 3.08Å; Q147-T150 PolarHBondContact O-N 3.29Å; Q147-T150 VanDerWaalsContact O-N 3.15Å
148	P	88.9	Confident	94.4	Very high	112 Å²	112	48.8 Å²	48.8	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	129.9	-178.8	-25.5	34	0	0	0	111.6	K137 H146 T150	K137-P148 WeakPolarHBondContact CE-O 3.4Å; K137-P148 PolarHBondContact NZ-O 3.01Å; H146-P148 WeakPolarHBondContact O-CD 3.36Å; P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.43Å
149	G	90.2	Very high	94.4	Very high	70 Å²	70	48.1 Å²	48.1	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	2.7	178.3	0	0	0	0	0	115.7	Q147	Q147-G149 PolarHBondContact O-N 3.08Å
150	T	95.7	Very high	94.4	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.043	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-97.4	123.4	167.1	-63.9	0	0	0	0	108.7	P138 A141 Q147 P148	P138-T150 HydrophobicContact CB-CG2 4.07Å; P138-T150 HydrophobicContact CG-CG2 3.77Å; P138-T150 WeakPolarHBondContact O-CB 3.5Å; P138-T150 WeakPolarHBondContact O-CG2 3.26Å; P138-T150 PolarHBondContact O-OG1 3.35Å; A141-T150 HydrophobicContact CB-CG2 3.87Å; Q147-T150 PolarHBondContact O-N 3.29Å; Q147-T150 VanDerWaalsContact O-N 3.15Å; P148-T150 VanDerWaalsContact C-N 3.32Å; P148-T150 PolarHBondContact O-N 3.43Å
151	L	97.7	Very high	94.2	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.8	-179.2	-58.9	173.3	0	0	0	111.4	D139 A140 A141 D177 I178	D139-L151 PolarHBondContact O-N 3.17Å; A140-L151 CarbonylContact C-O 3.59Å; A140-L151 WeakPolarHBondContact CA-O 3.15Å; A140-L151 HydrophobicContact CB-CB 3.82Å; A140-L151 WeakPolarHBondContact CB-O 3.12Å; A141-L151 PolarHBondContact N-O 2.86Å; L151-D177 WeakPolarHBondContact CA-OD2 3.46Å; L151-D177 HydrophobicContact CB-CB 3.99Å; L151-D177 HydrophobicContact CD2-CB 3.82Å; L151-D177 HydrophobicContact CG-CB 4.47Å; L151-I178 HydrophobicContact CB-CD1 4.19Å; L151-I178 HydrophobicContact CB-CG1 4.42Å; L151-I178 HydrophobicContact CD1-CD1 3.96Å; L151-I178 HydrophobicContact CD1-CG1 4.49Å
152	S	98.1	Very high	94.1	Very high	7 Å²	7	54 Å²	54	5%	0.049	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.9	177.6	-62.8	0	0	0	0	111.6	G143 S145 D177 I178	G143-S152 WeakPolarHBondContact O-CB 3.31Å; S145-S152 PolarHBondContact N-OG 3.1Å; S152-D177 PolarHBondContact N-OD2 3.04Å; S152-D177 PolarHBondContact O-N 2.78Å; S152-I178 PolarHBondContact O-N 2.7Å
153	I	98.3	Very high	94.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.7	-176.5	-57.3	154.7	0	0	0	110.8	I114 A140 A141 F142 G143 I178 M180 L366	I114-I153 HydrophobicContact CG2-CD1 3.8Å; A140-I153 HydrophobicContact CB-CD1 3.45Å; A140-I153 VanDerWaalsContact CB-CD1 3.45Å; A140-I153 HydrophobicContact CB-CG1 3.99Å; A141-I153 PolarHBondContact O-N 3.05Å; F142-I153 HydrophobicContact CD1-CB 4.07Å; F142-I153 HydrophobicContact CD1-CG2 3.68Å; F142-I153 HydrophobicContact CE1-CB 4.4Å; F142-I153 HydrophobicContact CE1-CG2 3.63Å; F142-I153 HydrophobicContact CZ-CG2 4.49Å; G143-I153 PolarHBondContact N-O 2.8Å; G143-I153 PolarHBondContact O-N 3.38Å; I153-I178 WeakPolarHBondContact CA-O 3.26Å; I153-I178 HydrophobicContact CG1-CB 4Å; I153-I178 HydrophobicContact CG1-CD1 4.1Å; I153-I178 HydrophobicContact CG1-CG1 4.41Å; I153-M180 HydrophobicContact CG2-CG 4.08Å; I153-M180 HydrophobicContact CG2-SD 3.67Å; I153-L366 HydrophobicContact CD1-CD1 4.11Å; I153-L366 HydrophobicContact CD1-CD2 3.78Å; I153-L366 HydrophobicContact CD1-CG 4.47Å; I153-L366 HydrophobicContact CG1-CD1 4.37Å
154	I	98.1	Very high	94.1	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.077	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132	160.2	-173.6	168.6	0	0	0	109.6	E165 A171 Y176 I178 V179 M180	I154-E165 HydrophobicContact CD1-CB 3.79Å; I154-E165 HydrophobicContact CD1-CG 3.96Å; I154-A171 HydrophobicContact CG2-CB 4.19Å; I154-Y176 HydrophobicContact CB-CD1 3.67Å; I154-Y176 HydrophobicContact CB-CD2 4.01Å; I154-Y176 HydrophobicContact CB-CE1 3.67Å; I154-Y176 HydrophobicContact CB-CE2 4.02Å; I154-Y176 HydrophobicContact CB-CG 3.83Å; I154-Y176 HydrophobicContact CD1-CD2 4.34Å; I154-Y176 HydrophobicContact CD1-CE2 3.86Å; I154-Y176 HydrophobicContact CG1-CE2 4.43Å; I154-Y176 HydrophobicContact CG2-CD1 4.07Å; I154-Y176 HydrophobicContact CG2-CD2 3.98Å; I154-Y176 HydrophobicContact CG2-CE2 4.44Å; I154-Y176 HydrophobicContact CG2-CG 3.77Å; I154-I178 PolarHBondContact N-O 3.46Å; I154-V179 HydrophobicContact CG2-CB 4.05Å; I154-V179 HydrophobicContact CG2-CG1 3.99Å; I154-V179 HydrophobicContact CG2-CG2 3.7Å; I154-M180 WeakPolarHBondContact O-CB 3.48Å; I154-M180 PolarHBondContact O-N 3.39Å
155	R	97.7	Very high	94.2	Very high	91 Å²	91	61.4 Å²	61.4	34%	0.343	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.1	175.1	179.2	179.1	66.9	175.6	-3	110.3	S117 D120 F142 M180 V190	S117-R155 PolarHBondContact OG-NH2 3.22Å; D120-R155 IonicContact OD2-NH1 3.35Å; F142-R155 HydrophobicContact CD1-CB 4.1Å; F142-R155 HydrophobicContact CE1-CB 3.7Å; F142-R155 HydrophobicContact CE1-CG 4.43Å; R155-M180 VanDerWaalsContact CA-O 3.31Å; R155-M180 WeakPolarHBondContact CA-O 3.14Å; R155-M180 HydrophobicContact CB-CB 4.06Å; R155-M180 HydrophobicContact CB-SD 4.27Å; R155-M180 HydrophobicContact CG-CB 4.14Å; R155-M180 HydrophobicContact CG-SD 4.47Å; R155-V190 HydrophobicContact CG-CG2 4.49Å
156	S	97.4	Very high	94.8	Very high	24 Å²	24	60.3 Å²	60.3	17%	0.168	31%	0.308	C	S	.	.			trans	-157.6	140.2	179.5	174.3	0	0	0	0	110.9	E158 N166 M180 T181	S156-E158 WeakPolarHBondContact OG-CB 3.45Å; S156-E158 PolarHBondContact OG-N 3.18Å; S156-N166 WeakPolarHBondContact CB-ND2 3.29Å; S156-N166 VanDerWaalsContact CB-OD1 3.27Å; S156-N166 WeakPolarHBondContact CB-OD1 2.86Å; S156-N166 PolarHBondContact OG-ND2 3.4Å; S156-M180 PolarHBondContact N-O 2.82Å; S156-T181 VanDerWaalsContact O-CA 3.24Å; S156-T181 WeakPolarHBondContact O-CA 3.24Å
157	M	97.3	Very high	95.6	Very high	58 Å²	58	55.2 Å²	55.2	29%	0.286	29%	0.287	S	S	.	.			trans	-101.5	12.1	171.2	-58.8	177.4	73	0	0	112	T182 V190 G191 Y192 Y277	M157-T182 HydrophobicContact CB-CG2 4.25Å; M157-V190 HydrophobicContact CE-CG1 4.26Å; M157-V190 HydrophobicContact CG-CB 4.28Å; M157-V190 HydrophobicContact CG-CG1 3.74Å; M157-V190 HydrophobicContact SD-CG1 3.8Å; M157-G191 WeakPolarHBondContact CE-O 3.43Å; M157-Y192 HydrophobicContact CB-CE1 4.48Å; M157-Y192 HydrophobicContact CB-CE2 3.77Å; M157-Y192 VanDerWaalsContact CB-OH 3.29Å; M157-Y192 WeakPolarHBondContact CB-OH 3.05Å; M157-Y192 HydrophobicContact CE-CD1 3.57Å; M157-Y192 HydrophobicContact CE-CD2 3.59Å; M157-Y192 HydrophobicContact CE-CE1 3.68Å; M157-Y192 HydrophobicContact CE-CE2 3.69Å; M157-Y192 HydrophobicContact CE-CG 3.52Å; M157-Y192 WeakPolarHBondContact O-CE2 3.23Å; M157-Y192 PolarHBondContact O-OH 2.85Å; M157-Y277 WeakPolarHBondContact O-CE2 3.35Å
158	E	96.8	Very high	96.1	Very high	81 Å²	81	52.4 Å²	52.4	38%	0.379	28%	0.275	S	S	.	.	S	Bend	trans	-90.4	145.1	177.8	-64.5	-64.6	161.8	0	0	111.8	S156 Y163 N166	S156-E158 WeakPolarHBondContact OG-CB 3.45Å; S156-E158 PolarHBondContact OG-N 3.18Å; E158-Y163 HydrophobicContact CB-CD2 3.48Å; E158-Y163 VanDerWaalsContact CB-CD2 3.48Å; E158-Y163 HydrophobicContact CB-CE2 3.72Å; E158-Y163 HydrophobicContact CB-CG 4.41Å; E158-Y163 HydrophobicContact CG-CD2 4.1Å; E158-Y163 HydrophobicContact CG-CE2 3.82Å; E158-N166 PolarHBondContact O-ND2 3.14Å
159	S	95.7	Very high	96.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.			trans	-65.9	142.4	-178.9	169	0	0	0	0	112.6	Q161 Y162 Y163 T272 E274	S159-Q161 PolarHBondContact O-N 2.87Å; S159-Q161 PolarHBondContact OG-N 3.46Å; S159-Y162 PolarHBondContact O-N 2.77Å; S159-Y162 VanDerWaalsContact O-N 3.17Å; S159-Y163 PolarHBondContact O-N 3.25Å; S159-Y163 VanDerWaalsContact O-N 3.07Å; S159-T272 WeakPolarHBondContact CB-OG1 3.25Å; S159-T272 WeakPolarHBondContact OG-CB 3.48Å; S159-T272 VanDerWaalsContact OG-CG2 3.28Å; S159-T272 WeakPolarHBondContact OG-CG2 3.24Å; S159-T272 PolarHBondContact OG-OG1 3.45Å; S159-E274 WeakPolarHBondContact CA-OE2 3.4Å; S159-E274 WeakPolarHBondContact CB-OE2 3.46Å; S159-E274 PolarHBondContact OG-OE2 2.94Å
160	A	96.6	Very high	96.9	Very high	11 Å²	11	48.3 Å²	48.3	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.6	177.8	0	0	0	0	0	113.6	Y162 Y163 Q164 N166 N167 E274	A160-Y162 VanDerWaalsContact C-N 3.3Å; A160-Y162 PolarHBondContact O-N 3.02Å; A160-Y163 WeakPolarHBondContact CA-O 3.43Å; A160-Y163 CarbonylContact O-C 3.59Å; A160-Q164 WeakPolarHBondContact O-CA 3.36Å; A160-Q164 PolarHBondContact O-N 3.34Å; A160-N166 HydrophobicContact CB-CB 4.21Å; A160-N167 HydrophobicContact CB-CB 3.94Å; A160-E274 VanDerWaalsContact CB-OE1 3.24Å; A160-E274 WeakPolarHBondContact CB-OE1 3.3Å; A160-E274 PolarHBondContact N-OE2 3.09Å
161	Q	94.2	Very high	97	Very high	83 Å²	83	48 Å²	48	39%	0.388	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.1	175.4	-170.3	179.6	-1.8	0	0	112.6	S159 R223 T272	S159-Q161 PolarHBondContact O-N 2.87Å; S159-Q161 PolarHBondContact OG-N 3.46Å; Q161-R223 PolarHBondContact O-NH1 3.26Å; Q161-T272 HydrophobicContact CB-CG2 3.86Å; Q161-T272 HydrophobicContact CG-CG2 4.4Å; Q161-T272 VanDerWaalsContact OE1-CG2 3.3Å
162	Y	94.9	Very high	97	Very high	65 Å²	65	50.8 Å²	50.8	26%	0.255	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-38.5	171.9	-69.3	-75.6	0	0	0	111.7	S159 A160 A222 R223 N271 T272	S159-Y162 PolarHBondContact O-N 2.77Å; S159-Y162 VanDerWaalsContact O-N 3.17Å; A160-Y162 VanDerWaalsContact C-N 3.3Å; A160-Y162 PolarHBondContact O-N 3.02Å; Y162-A222 VanDerWaalsContact OH-CA 3.3Å; Y162-A222 WeakPolarHBondContact OH-CA 3.32Å; Y162-R223 HydrophobicContact CE1-CG 4.18Å; Y162-R223 PolarHBondContact OH-N 3.47Å; Y162-R223 VanDerWaalsContact OH-N 3.15Å; Y162-N271 HydrophobicContact CE2-CB 3.88Å; Y162-N271 PolarHBondContact OH-O 2.8Å; Y162-N271 VanDerWaalsContact OH-O 3.11Å; Y162-T272 HydrophobicContact CD2-CG2 3.64Å; Y162-T272 HydrophobicContact CE2-CG2 3.26Å
163	Y	95.9	Very high	97	Very high	109 Å²	109	58.5 Å²	58.5	43%	0.427	27%	0.269	S	S	.	.			trans	-122.8	91.8	-175.6	-60.3	-85.1	0	0	0	110.3	E158 S159 A160 E165 N166	E158-Y163 HydrophobicContact CB-CD2 3.48Å; E158-Y163 VanDerWaalsContact CB-CD2 3.48Å; E158-Y163 HydrophobicContact CB-CE2 3.72Å; E158-Y163 HydrophobicContact CB-CG 4.41Å; E158-Y163 HydrophobicContact CG-CD2 4.1Å; E158-Y163 HydrophobicContact CG-CE2 3.82Å; S159-Y163 PolarHBondContact O-N 3.25Å; S159-Y163 VanDerWaalsContact O-N 3.07Å; A160-Y163 WeakPolarHBondContact CA-O 3.43Å; A160-Y163 CarbonylContact O-C 3.59Å; Y163-E165 PolarHBondContact O-N 3.39Å; Y163-E165 VanDerWaalsContact O-N 3.07Å; Y163-N166 WeakPolarHBondContact CB-ND2 3.33Å; Y163-N166 WeakPolarHBondContact O-CB 3.49Å; Y163-N166 PolarHBondContact O-N 3.21Å
164	Q	95.8	Very high	96.8	Very high	140 Å²	140	62.8 Å²	62.8	65%	0.654	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.4	-171.3	-70.7	-174.1	-24.9	0	0	113.8	A160 N166 N167 Q170	A160-Q164 WeakPolarHBondContact O-CA 3.36Å; A160-Q164 PolarHBondContact O-N 3.34Å; Q164-N166 PolarHBondContact O-N 3.2Å; Q164-N167 VanDerWaalsContact O-CB 3.26Å; Q164-N167 WeakPolarHBondContact O-CB 3.48Å; Q164-N167 PolarHBondContact O-N 2.94Å; Q164-Q170 VanDerWaalsContact O-CB 3.24Å; Q164-Q170 WeakPolarHBondContact O-CB 3.49Å; Q164-Q170 WeakPolarHBondContact O-CG 3.24Å
165	E	95.8	Very high	96.8	Very high	59 Å²	59	64 Å²	64	28%	0.276	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25	170.8	47.5	-83.9	-170.9	0	0	114.5	I154 Y163 N167 A171 K174	I154-E165 HydrophobicContact CD1-CB 3.79Å; I154-E165 HydrophobicContact CD1-CG 3.96Å; Y163-E165 PolarHBondContact O-N 3.39Å; Y163-E165 VanDerWaalsContact O-N 3.07Å; E165-N167 PolarHBondContact O-N 3.46Å; E165-A171 VanDerWaalsContact O-CB 3.28Å; E165-A171 WeakPolarHBondContact O-CB 3.25Å; E165-K174 HydrophobicContact CB-CD 4.14Å; E165-K174 IonicContact OE2-NZ 3.92Å; E165-K174 PolarHBondContact OE2-NZ 3Å
166	N	97	Very high	96.8	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.043	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-78.4	-13.4	177.9	-58.2	-20.7	0	0	0	111.6	S156 E158 A160 Y163 Q164 L168 T181	S156-N166 WeakPolarHBondContact CB-ND2 3.29Å; S156-N166 VanDerWaalsContact CB-OD1 3.27Å; S156-N166 WeakPolarHBondContact CB-OD1 2.86Å; S156-N166 PolarHBondContact OG-ND2 3.4Å; E158-N166 PolarHBondContact O-ND2 3.14Å; A160-N166 HydrophobicContact CB-CB 4.21Å; Y163-N166 WeakPolarHBondContact CB-ND2 3.33Å; Y163-N166 WeakPolarHBondContact O-CB 3.49Å; Y163-N166 PolarHBondContact O-N 3.21Å; Q164-N166 PolarHBondContact O-N 3.2Å; N166-L168 PolarHBondContact O-N 2.91Å; N166-T181 HydrophobicContact CB-CG2 4.08Å
167	N	98.1	Very high	96.8	Very high	71 Å²	71	63.2 Å²	63.2	38%	0.38	30%	0.302	S	S	.	.	S	Bend	trans	-66.1	126.5	170	178.3	-91.1	0	0	0	109.4	A160 Q164 E165 A169 Q170 A171	A160-N167 HydrophobicContact CB-CB 3.94Å; Q164-N167 VanDerWaalsContact O-CB 3.26Å; Q164-N167 WeakPolarHBondContact O-CB 3.48Å; Q164-N167 PolarHBondContact O-N 2.94Å; E165-N167 PolarHBondContact O-N 3.46Å; N167-A169 VanDerWaalsContact C-N 3.32Å; N167-A169 PolarHBondContact O-N 3.08Å; N167-A169 PolarHBondContact OD1-N 3.02Å; N167-A169 VanDerWaalsContact OD1-N 3.15Å; N167-Q170 HydrophobicContact CB-CB 3.99Å; N167-Q170 PolarHBondContact O-N 3.16Å; N167-Q170 PolarHBondContact OD1-N 3.21Å; N167-A171 PolarHBondContact O-N 3.42Å
168	L	97.9	Very high	96.8	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-51.7	-48.5	-175.1	-56.2	-177	0	0	0	112.7	N166 Q170 A171 R172 V179 S185	N166-L168 PolarHBondContact O-N 2.91Å; L168-Q170 PolarHBondContact O-N 3.02Å; L168-A171 PolarHBondContact O-N 2.81Å; L168-R172 VanDerWaalsContact O-CG 3.29Å; L168-R172 WeakPolarHBondContact O-CG 3.33Å; L168-R172 PolarHBondContact O-N 3.43Å; L168-V179 HydrophobicContact CD2-CB 4.17Å; L168-V179 HydrophobicContact CD2-CG1 3.41Å; L168-V179 VanDerWaalsContact CD2-CG1 3.41Å; L168-S185 WeakPolarHBondContact CD1-O 3.24Å
169	A	98	Very high	96.9	Very high	48 Å²	48	56.6 Å²	56.6	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-67.2	-37.5	-178.8	0	0	0	0	0	112	N167 R173	N167-A169 VanDerWaalsContact C-N 3.32Å; N167-A169 PolarHBondContact O-N 3.08Å; N167-A169 PolarHBondContact OD1-N 3.02Å; N167-A169 VanDerWaalsContact OD1-N 3.15Å; A169-R173 WeakPolarHBondContact O-CG 3.33Å; A169-R173 PolarHBondContact O-N 2.78Å
170	Q	98	Very high	97	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-39.4	176.2	-175.2	57.7	46.9	0	0	112.2	Q164 N167 L168 R173 K174	Q164-Q170 VanDerWaalsContact O-CB 3.24Å; Q164-Q170 WeakPolarHBondContact O-CB 3.49Å; Q164-Q170 WeakPolarHBondContact O-CG 3.24Å; N167-Q170 HydrophobicContact CB-CB 3.99Å; N167-Q170 PolarHBondContact O-N 3.16Å; N167-Q170 PolarHBondContact OD1-N 3.21Å; L168-Q170 PolarHBondContact O-N 3.02Å; Q170-R173 PolarHBondContact O-N 2.95Å; Q170-K174 WeakPolarHBondContact O-CG 3.44Å; Q170-K174 PolarHBondContact O-N 2.78Å
171	A	98.1	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-46.3	175.3	0	0	0	0	0	111.1	I154 E165 N167 L168 R173 K174 G175 Y176 V179	I154-A171 HydrophobicContact CG2-CB 4.19Å; E165-A171 VanDerWaalsContact O-CB 3.28Å; E165-A171 WeakPolarHBondContact O-CB 3.25Å; N167-A171 PolarHBondContact O-N 3.42Å; L168-A171 PolarHBondContact O-N 2.81Å; A171-R173 PolarHBondContact O-N 3.05Å; A171-K174 PolarHBondContact O-N 2.67Å; A171-K174 VanDerWaalsContact O-N 3.11Å; A171-G175 PolarHBondContact O-N 2.84Å; A171-G175 VanDerWaalsContact O-N 3.17Å; A171-Y176 HydrophobicContact CB-CD2 4.07Å; A171-Y176 WeakPolarHBondContact O-CD2 3.38Å; A171-Y176 PolarHBondContact O-N 3.25Å; A171-Y176 VanDerWaalsContact O-N 3.08Å; A171-V179 HydrophobicContact CB-CG1 4.4Å; A171-V179 HydrophobicContact CB-CG2 3.43Å; A171-V179 VanDerWaalsContact CB-CG2 3.43Å
172	R	97.3	Very high	97.3	Very high	101 Å²	101	52.6 Å²	52.6	38%	0.381	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-45.6	174.2	-66.6	-61.9	-174.9	-115.8	-10.3	112.1	L168 K174 G175 Y176 D177 D187	L168-R172 VanDerWaalsContact O-CG 3.29Å; L168-R172 WeakPolarHBondContact O-CG 3.33Å; L168-R172 PolarHBondContact O-N 3.43Å; R172-K174 PolarHBondContact O-N 3.08Å; R172-G175 PolarHBondContact O-N 3.36Å; R172-Y176 WeakPolarHBondContact CD-O 3.11Å; R172-Y176 PolarHBondContact NH1-O 3.04Å; R172-D177 PolarHBondContact NH1-O 3.47Å; R172-D187 IonicContact CZ-OD2 3.04Å; R172-D187 VanDerWaalsContact CZ-OD2 3.28Å; R172-D187 IonicContact NH1-OD2 2.8Å; R172-D187 PolarHBondContact NH1-OD2 3.39Å; R172-D187 IonicContact NH2-OD1 3.56Å; R172-D187 PolarHBondContact NH2-OD1 3.3Å; R172-D187 IonicContact NH2-OD2 3.41Å; R172-D187 PolarHBondContact NH2-OD2 3.18Å
173	R	97.2	Very high	97.5	Very high	169 Å²	169	50 Å²	50	64%	0.638	24%	0.243	S	C	*	.	H	α-helix	trans	-60.5	-32.7	175.3	-76.2	-169.8	-62.3	-92.2	4.4	112.9	A169 Q170 A171 G175	A169-R173 WeakPolarHBondContact O-CG 3.33Å; A169-R173 PolarHBondContact O-N 2.78Å; Q170-R173 PolarHBondContact O-N 2.95Å; A171-R173 PolarHBondContact O-N 3.05Å; R173-G175 VanDerWaalsContact C-N 3.26Å
174	K	95.9	Very high	97.6	Very high	91 Å²	91	44.9 Å²	44.9	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-75.6	-11.7	174.7	-75.4	-175.6	173.5	-175.4	0	113.2	L144 E165 Q170 A171 R172 Y176	L144-K174 WeakPolarHBondContact CD2-O 3.29Å; E165-K174 HydrophobicContact CB-CD 4.14Å; E165-K174 IonicContact OE2-NZ 3.92Å; E165-K174 PolarHBondContact OE2-NZ 3Å; Q170-K174 WeakPolarHBondContact O-CG 3.44Å; Q170-K174 PolarHBondContact O-N 2.78Å; A171-K174 PolarHBondContact O-N 2.67Å; A171-K174 VanDerWaalsContact O-N 3.11Å; R172-K174 PolarHBondContact O-N 3.08Å; K174-Y176 HydrophobicContact CB-CD2 4.13Å; K174-Y176 HydrophobicContact CB-CE2 4.15Å
175	G	96.1	Very high	97.7	Very high	40 Å²	40	39.9 Å²	39.9	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	16.6	177.7	0	0	0	0	0	115.2	A171 R172 R173	A171-G175 PolarHBondContact O-N 2.84Å; A171-G175 VanDerWaalsContact O-N 3.17Å; R172-G175 PolarHBondContact O-N 3.36Å; R173-G175 VanDerWaalsContact C-N 3.26Å
176	Y	97.8	Very high	97.8	Very high	34 Å²	34	37.1 Å²	37.1	13%	0.133	19%	0.19	C	C	.	.			trans	-78.8	123.4	174.1	-68.1	-73.1	0	0	0	112.1	L144 I154 A171 R172 K174	L144-Y176 HydrophobicContact CD2-CD1 3.8Å; L144-Y176 HydrophobicContact CD2-CD2 4.13Å; L144-Y176 HydrophobicContact CD2-CE1 3.7Å; L144-Y176 HydrophobicContact CD2-CE2 4.02Å; L144-Y176 HydrophobicContact CD2-CG 4.03Å; L144-Y176 HydrophobicContact CG-CD1 4.49Å; L144-Y176 HydrophobicContact CG-CE1 3.89Å; L144-Y176 HydrophobicContact CG-CE2 4.34Å; I154-Y176 HydrophobicContact CB-CD1 3.67Å; I154-Y176 HydrophobicContact CB-CD2 4.01Å; I154-Y176 HydrophobicContact CB-CE1 3.67Å; I154-Y176 HydrophobicContact CB-CE2 4.02Å; I154-Y176 HydrophobicContact CB-CG 3.83Å; I154-Y176 HydrophobicContact CD1-CD2 4.34Å; I154-Y176 HydrophobicContact CD1-CE2 3.86Å; I154-Y176 HydrophobicContact CG1-CE2 4.43Å; I154-Y176 HydrophobicContact CG2-CD1 4.07Å; I154-Y176 HydrophobicContact CG2-CD2 3.98Å; I154-Y176 HydrophobicContact CG2-CE2 4.44Å; I154-Y176 HydrophobicContact CG2-CG 3.77Å; A171-Y176 HydrophobicContact CB-CD2 4.07Å; A171-Y176 WeakPolarHBondContact O-CD2 3.38Å; A171-Y176 PolarHBondContact O-N 3.25Å; A171-Y176 VanDerWaalsContact O-N 3.08Å; R172-Y176 WeakPolarHBondContact CD-O 3.11Å; R172-Y176 PolarHBondContact NH1-O 3.04Å; K174-Y176 HydrophobicContact CB-CD2 4.13Å; K174-Y176 HydrophobicContact CB-CE2 4.15Å
177	D	97.7	Very high	97.9	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	20%	0.196	S	C	.	.	S	Bend	trans	-79.4	-29.2	177.4	-59.2	-68.6	0	0	0	113.1	L151 S152 R172 R373	L151-D177 WeakPolarHBondContact CA-OD2 3.46Å; L151-D177 HydrophobicContact CB-CB 3.99Å; L151-D177 HydrophobicContact CD2-CB 3.82Å; L151-D177 HydrophobicContact CG-CB 4.47Å; S152-D177 PolarHBondContact N-OD2 3.04Å; S152-D177 PolarHBondContact O-N 2.78Å; R172-D177 PolarHBondContact NH1-O 3.47Å; D177-R373 PolarHBondContact O-NH1 3.24Å
178	I	98.4	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.9	-179.6	-50.5	-179.2	0	0	0	109.2	A140 L151 S152 I153 I154 M180 D187 V188 L366 F369 V370	A140-I178 HydrophobicContact CB-CD1 4.43Å; L151-I178 HydrophobicContact CB-CD1 4.19Å; L151-I178 HydrophobicContact CB-CG1 4.42Å; L151-I178 HydrophobicContact CD1-CD1 3.96Å; L151-I178 HydrophobicContact CD1-CG1 4.49Å; S152-I178 PolarHBondContact O-N 2.7Å; I153-I178 WeakPolarHBondContact CA-O 3.26Å; I153-I178 HydrophobicContact CG1-CB 4Å; I153-I178 HydrophobicContact CG1-CD1 4.1Å; I153-I178 HydrophobicContact CG1-CG1 4.41Å; I154-I178 PolarHBondContact N-O 3.46Å; I178-M180 HydrophobicContact CG2-CG 4.13Å; I178-D187 VanDerWaalsContact CA-OD2 3.31Å; I178-D187 WeakPolarHBondContact CA-OD2 3.31Å; I178-D187 HydrophobicContact CG2-CB 3.98Å; I178-V188 HydrophobicContact CG2-CG2 4.4Å; I178-L366 HydrophobicContact CD1-CD1 3.9Å; I178-L366 HydrophobicContact CG2-CD1 3.89Å; I178-F369 HydrophobicContact CD1-CD1 4.01Å; I178-F369 HydrophobicContact CD1-CE1 4.09Å; I178-F369 HydrophobicContact CG1-CD1 4.39Å; I178-F369 HydrophobicContact CG1-CE1 4.01Å; I178-F369 HydrophobicContact CG2-CD1 4.35Å; I178-F369 HydrophobicContact CG2-CE1 4.24Å; I178-V370 HydrophobicContact CD1-CG2 3.65Å
179	V	98.5	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	179.6	176.7	0	0	0	0	108.4	I154 L168 A171 T181 S186 D187 V188	I154-V179 HydrophobicContact CG2-CB 4.05Å; I154-V179 HydrophobicContact CG2-CG1 3.99Å; I154-V179 HydrophobicContact CG2-CG2 3.7Å; L168-V179 HydrophobicContact CD2-CB 4.17Å; L168-V179 HydrophobicContact CD2-CG1 3.41Å; L168-V179 VanDerWaalsContact CD2-CG1 3.41Å; A171-V179 HydrophobicContact CB-CG1 4.4Å; A171-V179 HydrophobicContact CB-CG2 3.43Å; A171-V179 VanDerWaalsContact CB-CG2 3.43Å; V179-T181 HydrophobicContact CG1-CG2 3.78Å; V179-S186 WeakPolarHBondContact O-CB 3.16Å; V179-D187 PolarHBondContact N-OD2 2.88Å; V179-D187 PolarHBondContact O-N 3.07Å; V179-V188 PolarHBondContact O-N 3.07Å
180	M	98.5	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	99.8	-178.5	-48.4	-178.5	59.6	0	0	109.3	F142 I153 I154 R155 S156 I178 V188 V190 L366	F142-M180 HydrophobicContact CE1-SD 4.35Å; I153-M180 HydrophobicContact CG2-CG 4.08Å; I153-M180 HydrophobicContact CG2-SD 3.67Å; I154-M180 WeakPolarHBondContact O-CB 3.48Å; I154-M180 PolarHBondContact O-N 3.39Å; R155-M180 VanDerWaalsContact CA-O 3.31Å; R155-M180 WeakPolarHBondContact CA-O 3.14Å; R155-M180 HydrophobicContact CB-CB 4.06Å; R155-M180 HydrophobicContact CB-SD 4.27Å; R155-M180 HydrophobicContact CG-CB 4.14Å; R155-M180 HydrophobicContact CG-SD 4.47Å; S156-M180 PolarHBondContact N-O 2.82Å; I178-M180 HydrophobicContact CG2-CG 4.13Å; M180-V188 VanDerWaalsContact CA-O 3.24Å; M180-V188 WeakPolarHBondContact CA-O 3.5Å; M180-V188 WeakPolarHBondContact CB-O 3.15Å; M180-V188 HydrophobicContact CE-CB 4.05Å; M180-V188 HydrophobicContact CE-CG1 3.82Å; M180-V188 HydrophobicContact CG-CB 4.06Å; M180-V190 HydrophobicContact CB-CG2 3.84Å; M180-V190 HydrophobicContact CE-CG2 3.97Å; M180-L366 HydrophobicContact CE-CB 4Å; M180-L366 HydrophobicContact CE-CD2 4.44Å; M180-L366 HydrophobicContact SD-CB 4.23Å; M180-L366 HydrophobicContact SD-CD1 3.96Å; M180-L366 HydrophobicContact SD-CD2 3.86Å; M180-L366 HydrophobicContact SD-CG 4.24Å
181	T	98.4	Very high	97.8	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	-135.6	178.7	-179.2	74.9	0	0	0	0	111.9	S156 N166 V179 S183 S186 P189 V190	S156-T181 VanDerWaalsContact O-CA 3.24Å; S156-T181 WeakPolarHBondContact O-CA 3.24Å; N166-T181 HydrophobicContact CB-CG2 4.08Å; V179-T181 HydrophobicContact CG1-CG2 3.78Å; T181-S183 PolarHBondContact O-N 3.32Å; T181-S183 WeakPolarHBondContact OG1-CB 3.19Å; T181-S183 PolarHBondContact OG1-N 3.27Å; T181-S186 PolarHBondContact N-OG 3.22Å; T181-S186 PolarHBondContact OG1-OG 2.93Å; T181-P189 CarbonylContact O-C 3.57Å; T181-P189 WeakPolarHBondContact O-CA 3.49Å; T181-V190 PolarHBondContact O-N 2.55Å
182	T	97.9	Very high	97.8	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-61.3	-24.2	173.4	58.3	0	0	0	0	112.9	M157 L184 V190 Y192 Y277	M157-T182 HydrophobicContact CB-CG2 4.25Å; T182-L184 PolarHBondContact O-N 3.41Å; T182-V190 WeakPolarHBondContact CA-O 3.44Å; T182-Y192 HydrophobicContact CG2-CD2 4.03Å; T182-Y192 HydrophobicContact CG2-CE2 3.71Å; T182-Y277 HydrophobicContact CG2-CD2 4.08Å; T182-Y277 HydrophobicContact CG2-CE2 4.29Å; T182-Y277 WeakPolarHBondContact OG1-CD2 3.31Å
183	S	98.3	Very high	97.7	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.084	14%	0.142	C	C	.	.			trans	-60.5	126.2	176.8	178.1	0	0	0	0	111	T181 S185 S186	T181-S183 PolarHBondContact O-N 3.32Å; T181-S183 WeakPolarHBondContact OG1-CB 3.19Å; T181-S183 PolarHBondContact OG1-N 3.27Å; S183-S185 PolarHBondContact O-N 3.1Å; S183-S185 WeakPolarHBondContact OG-CB 3.38Å; S183-S185 PolarHBondContact OG-N 3.31Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.18Å; S183-S186 PolarHBondContact O-OG 2.81Å
184	L	98.5	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.2	173.4	-62.2	-177.5	0	0	0	112.1	T182 P189 F193 D276 F303 L354 M357 Q469 R470 Y474	T182-L184 PolarHBondContact O-N 3.41Å; L184-P189 HydrophobicContact CD2-CB 4Å; L184-P189 HydrophobicContact CD2-CG 4.38Å; L184-F193 HydrophobicContact CD2-CZ 4.39Å; L184-D276 WeakPolarHBondContact CB-OD2 3.46Å; L184-D276 HydrophobicContact CG-CB 4.25Å; L184-D276 PolarHBondContact N-OD2 2.9Å; L184-F303 HydrophobicContact CD1-CZ 3.98Å; L184-F303 HydrophobicContact CG-CZ 4.42Å; L184-L354 HydrophobicContact CD1-CD1 3.85Å; L184-L354 HydrophobicContact CD2-CD1 4.16Å; L184-M357 HydrophobicContact CD2-CE 4.13Å; L184-Q469 HydrophobicContact CB-CB 4.43Å; L184-Q469 PolarHBondContact O-N 3.43Å; L184-Q469 VanDerWaalsContact O-N 3.11Å; L184-R470 HydrophobicContact CB-CB 3.76Å; L184-R470 PolarHBondContact O-N 3.38Å; L184-Y474 HydrophobicContact CD1-CD2 4.38Å; L184-Y474 HydrophobicContact CD1-CE2 3.69Å
185	S	98.4	Very high	97.6	Very high	36 Å²	36	16.1 Å²	16.1	25%	0.252	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.5	169.3	-61.8	0	0	0	0	114.1	L168 S183 T468 R470	L168-S185 WeakPolarHBondContact CD1-O 3.24Å; S183-S185 PolarHBondContact O-N 3.1Å; S183-S185 WeakPolarHBondContact OG-CB 3.38Å; S183-S185 PolarHBondContact OG-N 3.31Å; S185-T468 WeakPolarHBondContact O-CG2 3.42Å; S185-R470 WeakPolarHBondContact OG-CB 3.28Å
186	S	98.6	Very high	97.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	11%	0.112	C	C	.	.	S	Bend	trans	-61.8	157.9	169.7	-58.8	0	0	0	0	111.3	V179 T181 S183 V188	V179-S186 WeakPolarHBondContact O-CB 3.16Å; T181-S186 PolarHBondContact N-OG 3.22Å; T181-S186 PolarHBondContact OG1-OG 2.93Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.18Å; S183-S186 PolarHBondContact O-OG 2.81Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 2.97Å
187	D	98.5	Very high	97.2	Very high	32 Å²	32	23.3 Å²	23.3	17%	0.171	14%	0.137	C	C	.	.	S	Bend	trans	-58.5	-44	172.8	-62.7	-69.3	0	0	0	110.8	R172 I178 V179 F369 R373	R172-D187 IonicContact CZ-OD2 3.04Å; R172-D187 VanDerWaalsContact CZ-OD2 3.28Å; R172-D187 IonicContact NH1-OD2 2.8Å; R172-D187 PolarHBondContact NH1-OD2 3.39Å; R172-D187 IonicContact NH2-OD1 3.56Å; R172-D187 PolarHBondContact NH2-OD1 3.3Å; R172-D187 IonicContact NH2-OD2 3.41Å; R172-D187 PolarHBondContact NH2-OD2 3.18Å; I178-D187 VanDerWaalsContact CA-OD2 3.31Å; I178-D187 WeakPolarHBondContact CA-OD2 3.31Å; I178-D187 HydrophobicContact CG2-CB 3.98Å; V179-D187 PolarHBondContact N-OD2 2.88Å; V179-D187 PolarHBondContact O-N 3.07Å; D187-F369 HydrophobicContact CB-CE1 4.04Å; D187-F369 HydrophobicContact CB-CE2 3.88Å; D187-F369 HydrophobicContact CB-CZ 3.54Å; D187-R373 IonicContact OD1-NH2 3.22Å; D187-R373 PolarHBondContact OD1-NH2 2.82Å
188	V	98.4	Very high	97.1	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	13%	0.125	C	C	.	.	S	Bend	trans	-135.1	93.9	176.5	-173.5	0	0	0	0	108.7	I178 V179 M180 S186 R365 F369	I178-V188 HydrophobicContact CG2-CG2 4.4Å; V179-V188 PolarHBondContact O-N 3.07Å; M180-V188 VanDerWaalsContact CA-O 3.24Å; M180-V188 WeakPolarHBondContact CA-O 3.5Å; M180-V188 WeakPolarHBondContact CB-O 3.15Å; M180-V188 HydrophobicContact CE-CB 4.05Å; M180-V188 HydrophobicContact CE-CG1 3.82Å; M180-V188 HydrophobicContact CG-CB 4.06Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 2.97Å; V188-R365 HydrophobicContact CG1-CB 3.75Å; V188-F369 HydrophobicContact CG2-CB 3.69Å; V188-F369 HydrophobicContact CG2-CD1 4.21Å; V188-F369 HydrophobicContact CG2-CD2 4Å; V188-F369 HydrophobicContact CG2-CG 3.7Å
189	P	98.4	Very high	96.9	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.019	15%	0.149	C	C	.	.			trans	-62.4	145.4	-177.2	-25.1	35	0	0	0	113.4	T181 L184 M357 R365 Q469	T181-P189 CarbonylContact O-C 3.57Å; T181-P189 WeakPolarHBondContact O-CA 3.49Å; L184-P189 HydrophobicContact CD2-CB 4Å; L184-P189 HydrophobicContact CD2-CG 4.38Å; P189-M357 HydrophobicContact CB-CE 3.9Å; P189-M357 HydrophobicContact CB-SD 4.18Å; P189-M357 HydrophobicContact CG-SD 4.38Å; P189-R365 PolarHBondContact O-NH1 3.13Å; P189-R365 PolarHBondContact O-NH2 3.45Å; P189-Q469 HydrophobicContact CG-CB 4.08Å; P189-Q469 HydrophobicContact CG-CG 4.02Å
190	V	97.6	Very high	96.8	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.067	15%	0.149	C	C	.	.			trans	-128.3	87.2	178.6	-170.3	0	0	0	0	107.9	R155 M157 M180 T181 T182	R155-V190 HydrophobicContact CG-CG2 4.49Å; M157-V190 HydrophobicContact CE-CG1 4.26Å; M157-V190 HydrophobicContact CG-CB 4.28Å; M157-V190 HydrophobicContact CG-CG1 3.74Å; M157-V190 HydrophobicContact SD-CG1 3.8Å; M180-V190 HydrophobicContact CB-CG2 3.84Å; M180-V190 HydrophobicContact CE-CG2 3.97Å; T181-V190 PolarHBondContact O-N 2.55Å; T182-V190 WeakPolarHBondContact CA-O 3.44Å
191	G	95.5	Very high	96.7	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	15%	0.154	C	C	.	.			trans	-87.6	161.8	179.6	0	0	0	0	0	112.9	M157 F193	M157-G191 WeakPolarHBondContact CE-O 3.43Å; G191-F193 PolarHBondContact O-N 2.86Å
192	Y	97.3	Very high	96.5	Very high	39 Å²	39	27.4 Å²	27.4	15%	0.153	16%	0.159	C	C	.	.	S	Bend	trans	-83.7	25.8	174.3	-71.2	-95.3	0	0	0	112.8	M157 T182 Y198 T279 F283	M157-Y192 HydrophobicContact CB-CE1 4.48Å; M157-Y192 HydrophobicContact CB-CE2 3.77Å; M157-Y192 VanDerWaalsContact CB-OH 3.29Å; M157-Y192 WeakPolarHBondContact CB-OH 3.05Å; M157-Y192 HydrophobicContact CE-CD1 3.57Å; M157-Y192 HydrophobicContact CE-CD2 3.59Å; M157-Y192 HydrophobicContact CE-CE1 3.68Å; M157-Y192 HydrophobicContact CE-CE2 3.69Å; M157-Y192 HydrophobicContact CE-CG 3.52Å; M157-Y192 WeakPolarHBondContact O-CE2 3.23Å; M157-Y192 PolarHBondContact O-OH 2.85Å; T182-Y192 HydrophobicContact CG2-CD2 4.03Å; T182-Y192 HydrophobicContact CG2-CE2 3.71Å; Y192-Y198 WeakPolarHBondContact O-CE2 3.23Å; Y192-Y198 PolarHBondContact O-OH 2.86Å; Y192-T279 HydrophobicContact CD2-CG2 3.91Å; Y192-T279 HydrophobicContact CE2-CG2 3.73Å; Y192-F283 VanDerWaalsContact O-CD2 3.24Å; Y192-F283 WeakPolarHBondContact O-CD2 3.2Å
193	F	96.4	Very high	96.4	Very high	5 Å²	5	32 Å²	32	2%	0.022	19%	0.189	C	C	.	.			trans	-122.7	137.7	-175.6	50.3	-99.7	0	0	0	111.5	L184 G191 F283 F303 L354 I355 M357 A358	L184-F193 HydrophobicContact CD2-CZ 4.39Å; G191-F193 PolarHBondContact O-N 2.86Å; F193-F283 HydrophobicContact CB-CD1 4.14Å; F193-F283 HydrophobicContact CB-CD2 4.14Å; F193-F283 HydrophobicContact CB-CE1 3.72Å; F193-F283 HydrophobicContact CB-CE2 3.73Å; F193-F283 HydrophobicContact CB-CG 4.35Å; F193-F283 HydrophobicContact CB-CZ 3.53Å; F193-F283 AromaticContact CD1-CE2 4Å; F193-F283 HydrophobicContact CD1-CE2 4Å; F193-F283 AromaticContact CD1-CZ 3.74Å; F193-F283 HydrophobicContact CD1-CZ 3.74Å; F193-F283 HydrophobicContact CG-CE2 4.37Å; F193-F283 HydrophobicContact CG-CZ 4.04Å; F193-F303 HydrophobicContact CE1-CE1 4.09Å; F193-L354 HydrophobicContact CE1-CD1 4.01Å; F193-L354 HydrophobicContact CE1-CG 4.25Å; F193-L354 HydrophobicContact CE2-CD1 4.13Å; F193-L354 HydrophobicContact CE2-CG 4.13Å; F193-L354 VanDerWaalsContact CE2-O 3.23Å; F193-L354 WeakPolarHBondContact CE2-O 3.37Å; F193-L354 HydrophobicContact CZ-CD1 3.52Å; F193-L354 HydrophobicContact CZ-CG 3.9Å; F193-I355 HydrophobicContact CB-CD1 3.57Å; F193-I355 HydrophobicContact CD2-CD1 4.02Å; F193-I355 HydrophobicContact CG-CD1 3.92Å; F193-M357 HydrophobicContact CE2-CB 4.35Å; F193-M357 HydrophobicContact CE2-CE 3.7Å; F193-M357 HydrophobicContact CZ-CE 3.42Å; F193-M357 VanDerWaalsContact CZ-CE 3.42Å; F193-A358 HydrophobicContact CD2-CB 4.34Å; F193-A358 WeakPolarHBondContact O-CB 3.38Å
194	S	95.4	Very high	96.3	Very high	11 Å²	11	33.7 Å²	33.7	8%	0.077	20%	0.198	C	C	.	.			trans	-164.5	151.6	170.7	69.2	0	0	0	0	110	E197 Y198	S194-E197 WeakPolarHBondContact OG-CB 3.26Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.42Å; S194-E197 PolarHBondContact OG-N 2.89Å; S194-E197 PolarHBondContact OG-OE2 3.03Å; S194-E197 VanDerWaalsContact OG-OE2 3.08Å; S194-Y198 WeakPolarHBondContact O-CD2 3.48Å; S194-Y198 PolarHBondContact O-N 3.17Å
195	W	95.2	Very high	96.3	Very high	17 Å²	17	37.6 Å²	37.6	6%	0.064	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.8	171	-62.2	120	0	0	0	112.7	I200 M201 P347 F351 K352 I355 D356 E446 R447 P448 L451	W195-I200 HydrophobicContact CZ3-CB 4.19Å; W195-I200 HydrophobicContact CZ3-CD1 4.46Å; W195-I200 HydrophobicContact CZ3-CG2 4.4Å; W195-M201 HydrophobicContact CZ3-CG 4.47Å; W195-P347 HydrophobicContact CH2-CG 4.24Å; W195-F351 HydrophobicContact CH2-CD1 4.17Å; W195-F351 AromaticContact CH2-CE1 3.75Å; W195-F351 HydrophobicContact CH2-CE1 3.75Å; W195-F351 HydrophobicContact CZ2-CE1 4.49Å; W195-F351 HydrophobicContact CZ3-CE1 4.32Å; W195-K352 HydrophobicContact CZ2-CG 4.48Å; W195-I355 HydrophobicContact CD2-CB 4.38Å; W195-I355 HydrophobicContact CD2-CG2 3.58Å; W195-I355 HydrophobicContact CE3-CG2 4.19Å; W195-I355 HydrophobicContact CG-CG2 3.84Å; W195-I355 HydrophobicContact CH2-CB 4.43Å; W195-I355 HydrophobicContact CH2-CG1 4.41Å; W195-I355 HydrophobicContact CH2-CG2 4.45Å; W195-I355 HydrophobicContact CZ2-CB 3.74Å; W195-I355 HydrophobicContact CZ2-CG1 4.15Å; W195-I355 HydrophobicContact CZ2-CG2 3.88Å; W195-D356 PolarHBondContact NE1-OD1 3Å; W195-E446 WeakPolarHBondContact CB-O 3.18Å; W195-R447 HydrophobicContact CG-CG 4.4Å; W195-P448 HydrophobicContact CE3-CG 4.23Å; W195-L451 HydrophobicContact CH2-CD1 3.62Å; W195-L451 HydrophobicContact CZ2-CD1 4.2Å; W195-L451 HydrophobicContact CZ3-CD1 3.85Å
196	A	91.7	Very high	96.2	Very high	81 Å²	81	40.2 Å²	40.2	67%	0.669	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-36.9	-176.3	0	0	0	0	0	113.2
197	E	92.7	Very high	96.2	Very high	144 Å²	144	42.1 Å²	42.1	67%	0.673	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-28	-179.3	-60.9	167.1	155.5	0	0	112.5	S194	S194-E197 WeakPolarHBondContact OG-CB 3.26Å; S194-E197 VanDerWaalsContact OG-CG 3.24Å; S194-E197 WeakPolarHBondContact OG-CG 3.42Å; S194-E197 PolarHBondContact OG-N 2.89Å; S194-E197 PolarHBondContact OG-OE2 3.03Å; S194-E197 VanDerWaalsContact OG-OE2 3.08Å
198	Y	95.5	Very high	96.1	Very high	23 Å²	23	45.1 Å²	45.1	9%	0.09	26%	0.261	C	S	.	.			trans	-117.3	110	-176.9	-57.1	-86.3	0	0	0	110.1	Y192 S194 I200 E280 F283 Q284 V287	Y192-Y198 WeakPolarHBondContact O-CE2 3.23Å; Y192-Y198 PolarHBondContact O-OH 2.86Å; S194-Y198 WeakPolarHBondContact O-CD2 3.48Å; S194-Y198 PolarHBondContact O-N 3.17Å; Y198-I200 PolarHBondContact O-N 2.82Å; Y198-E280 HydrophobicContact CE1-CB 4.36Å; Y198-E280 WeakPolarHBondContact OH-CB 3.32Å; Y198-F283 HydrophobicContact CD1-CB 3.72Å; Y198-F283 HydrophobicContact CD2-CB 4.42Å; Y198-F283 HydrophobicContact CE1-CB 3.78Å; Y198-F283 HydrophobicContact CG-CB 4.04Å; Y198-Q284 HydrophobicContact CD1-CG 4.43Å; Y198-Q284 HydrophobicContact CE1-CG 4Å; Y198-V287 HydrophobicContact CD1-CG2 4.03Å; Y198-V287 HydrophobicContact CG-CG2 4.36Å
199	D	95.2	Very high	96.1	Very high	93 Å²	93	47.9 Å²	47.9	50%	0.497	27%	0.273	S	S	.	.			trans	-74.5	66.3	169.6	-170	7.5	0	0	0	110.5	M201 A202	D199-M201 PolarHBondContact O-N 2.87Å; D199-A202 HydrophobicContact CB-CB 4.26Å; D199-A202 WeakPolarHBondContact O-CB 3.26Å; D199-A202 PolarHBondContact O-N 3.5Å; D199-A202 PolarHBondContact OD1-N 3.03Å; D199-A202 WeakPolarHBondContact OD2-CB 3.44Å
200	I	96	Very high	96	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.5	-175.4	-67.3	173.1	0	0	0	110.9	W195 Y198 F283 L286 V287 W342 K343 F351	W195-I200 HydrophobicContact CZ3-CB 4.19Å; W195-I200 HydrophobicContact CZ3-CD1 4.46Å; W195-I200 HydrophobicContact CZ3-CG2 4.4Å; Y198-I200 PolarHBondContact O-N 2.82Å; I200-F283 HydrophobicContact CD1-CD1 4.28Å; I200-L286 HydrophobicContact CG2-CB 4.3Å; I200-V287 HydrophobicContact CG1-CG2 4.09Å; I200-W342 HydrophobicContact CG2-CH2 3.66Å; I200-W342 HydrophobicContact CG2-CZ3 3.54Å; I200-K343 VanDerWaalsContact O-CD 3.26Å; I200-K343 WeakPolarHBondContact O-CD 3.31Å; I200-K343 WeakPolarHBondContact O-CE 3.45Å; I200-K343 PolarHBondContact O-NZ 3.19Å; I200-F351 HydrophobicContact CD1-CZ 4.12Å; I200-F351 HydrophobicContact CG2-CE1 4.39Å; I200-F351 HydrophobicContact CG2-CZ 4.31Å
201	M	96.4	Very high	96	Very high	24 Å²	24	56 Å²	56	12%	0.118	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.3	178	-59.8	-54.9	-65	0	0	113.2	W195 D199 W342 K343 P448 L451	W195-M201 HydrophobicContact CZ3-CG 4.47Å; D199-M201 PolarHBondContact O-N 2.87Å; M201-W342 HydrophobicContact SD-CE3 4.33Å; M201-W342 HydrophobicContact SD-CZ3 4.02Å; M201-K343 WeakPolarHBondContact CE-O 3.34Å; M201-P448 HydrophobicContact CB-CG 4.39Å; M201-P448 HydrophobicContact CG-CG 4.16Å; M201-L451 HydrophobicContact CE-CD2 4.18Å; M201-L451 HydrophobicContact CG-CD1 3.69Å; M201-L451 HydrophobicContact CG-CG 4.2Å; M201-L451 HydrophobicContact SD-CD1 3.96Å
202	A	94.8	Very high	96.1	Very high	15 Å²	15	57.1 Å²	57.1	12%	0.124	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-53.5	141.1	174.3	0	0	0	0	0	111.8	D199 K343	D199-A202 HydrophobicContact CB-CB 4.26Å; D199-A202 WeakPolarHBondContact O-CB 3.26Å; D199-A202 PolarHBondContact O-N 3.5Å; D199-A202 PolarHBondContact OD1-N 3.03Å; D199-A202 WeakPolarHBondContact OD2-CB 3.44Å; A202-K343 PolarHBondContact O-NZ 2.86Å; A202-K343 VanDerWaalsContact O-NZ 3.08Å
203	P	95.2	Very high	96.2	Very high	103 Å²	103	55.2 Å²	55.2	67%	0.669	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-56.7	137.1	175.9	-25.5	34.2	0	0	0	113.1	Q205	P203-Q205 PolarHBondContact O-N 2.92Å; P203-Q205 PolarHBondContact O-NE2 2.98Å
204	V	97.1	Very high	96.2	Very high	46 Å²	46	55 Å²	55	28%	0.279	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-69.1	128.5	178.2	-177.1	0	0	0	0	109.9	L340 K343	V204-L340 HydrophobicContact CG1-CD1 4.01Å; V204-L340 HydrophobicContact CG2-CD1 4.23Å; V204-K343 HydrophobicContact CG2-CB 4.49Å; V204-K343 HydrophobicContact CG2-CG 4.09Å
205	Q	97.5	Very high	96.4	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-85.7	156.1	175.1	-59.6	-54.9	-53.2	0	0	111.8	P203 K207 K261	P203-Q205 PolarHBondContact O-N 2.92Å; P203-Q205 PolarHBondContact O-NE2 2.98Å; Q205-K207 WeakPolarHBondContact O-CD 3.24Å; Q205-K207 PolarHBondContact O-N 2.83Å; Q205-K261 HydrophobicContact CB-CB 4.12Å; Q205-K261 HydrophobicContact CG-CB 4.08Å; Q205-K261 HydrophobicContact CG-CD 3.96Å; Q205-K261 HydrophobicContact CG-CG 4.27Å
206	P	97.6	Very high	96.4	Very high	91 Å²	91	55.6 Å²	55.6	59%	0.591	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-56.6	133.2	172.4	-25.2	35.1	0	0	0	112.4	T208 H262	P206-T208 HydrophobicContact CB-CG2 4.25Å; P206-T208 PolarHBondContact O-N 3.32Å; P206-H262 PolarHBondContact O-ND1 3.06Å
207	K	97.8	Very high	96.5	Very high	42 Å²	42	52 Å²	52	18%	0.183	27%	0.272	C	S	.	.			trans	-85.1	92	179.4	-51.3	-49.2	-170.4	168.4	0	109.8	Q205 K261 H262 Y263 K264 A288 G289 S290 Y336	Q205-K207 WeakPolarHBondContact O-CD 3.24Å; Q205-K207 PolarHBondContact O-N 2.83Å; K207-K261 VanDerWaalsContact CD-O 3.25Å; K207-K261 WeakPolarHBondContact CD-O 3.39Å; K207-K261 PolarHBondContact NZ-O 2.78Å; K207-H262 CarbonylContact C-O 3.5Å; K207-H262 VanDerWaalsContact CA-O 3.29Å; K207-H262 WeakPolarHBondContact CA-O 3.16Å; K207-Y263 VanDerWaalsContact CD-O 3.3Å; K207-Y263 WeakPolarHBondContact CD-O 3.24Å; K207-Y263 WeakPolarHBondContact CE-O 3.15Å; K207-Y263 PolarHBondContact NZ-O 3.1Å; K207-K264 HydrophobicContact CB-CG 3.84Å; K207-K264 HydrophobicContact CG-CG 3.99Å; K207-A288 PolarHBondContact NZ-O 2.96Å; K207-A288 VanDerWaalsContact NZ-O 3.11Å; K207-G289 WeakPolarHBondContact CE-O 3.38Å; K207-G289 PolarHBondContact NZ-O 3.35Å; K207-S290 PolarHBondContact NZ-OG 3.29Å; K207-Y336 WeakPolarHBondContact CE-OH 3.32Å; K207-Y336 HydrophobicContact CG-CE1 4.4Å
208	T	97.4	Very high	96.5	Very high	95 Å²	95	49.7 Å²	49.7	58%	0.583	27%	0.272	S	S	*	.			trans	-97.4	-15.2	-169.9	52.4	0	0	0	0	114.3	P206 H262	P206-T208 HydrophobicContact CB-CG2 4.25Å; P206-T208 PolarHBondContact O-N 3.32Å; T208-H262 PolarHBondContact N-O 3.22Å; T208-H262 VanDerWaalsContact N-O 3.08Å; T208-H262 WeakPolarHBondContact OG1-CB 3.35Å; T208-H262 PolarHBondContact OG1-ND1 2.75Å
209	E	97.2	Very high	96.3	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.294	28%	0.283	S	S	.	.			trans	-71.7	142.3	-177.5	-77	-69.6	159.2	0	0	112.4	R250 H262 Y263	E209-R250 IonicContact OE1-NH2 2.96Å; E209-R250 PolarHBondContact OE1-NH2 3.22Å; E209-R250 VanDerWaalsContact OE1-NH2 3.16Å; E209-R250 IonicContact OE2-CZ 3.51Å; E209-R250 VanDerWaalsContact OE2-CZ 3.3Å; E209-R250 IonicContact OE2-NH1 2.67Å; E209-R250 PolarHBondContact OE2-NH1 3.3Å; E209-R250 IonicContact OE2-NH2 3.3Å; E209-R250 PolarHBondContact OE2-NH2 3.49Å; E209-H262 HydrophobicContact CG-CB 4Å; E209-H262 PolarHBondContact N-O 3.4Å; E209-H262 VanDerWaalsContact N-O 3.14Å; E209-Y263 HydrophobicContact CB-CD1 3.77Å; E209-Y263 HydrophobicContact CB-CD2 4.35Å; E209-Y263 HydrophobicContact CB-CE1 3.62Å; E209-Y263 HydrophobicContact CB-CE2 4.21Å; E209-Y263 HydrophobicContact CB-CG 4.15Å; E209-Y263 HydrophobicContact CG-CD1 4.29Å; E209-Y263 HydrophobicContact CG-CD2 4.05Å; E209-Y263 HydrophobicContact CG-CE1 3.91Å; E209-Y263 HydrophobicContact CG-CE2 3.63Å; E209-Y263 HydrophobicContact CG-CG 4.36Å
210	K	96.1	Very high	96.1	Very high	183 Å²	183	50 Å²	50	80%	0.796	28%	0.279	S	S	*	.	S	Bend	trans	-73.1	-31.7	-180	-68.5	-176.1	-179.9	178.9	0	112.5
211	A	97.7	Very high	95.8	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	31%	0.31	C	S	.	.	S	Bend	trans	-77.3	141.6	173.4	0	0	0	0	0	109.3	A213 K239 D241 Y263	A211-A213 VanDerWaalsContact C-N 3.33Å; A211-K239 HydrophobicContact CB-CB 4.3Å; A211-K239 HydrophobicContact CB-CD 3.99Å; A211-K239 HydrophobicContact CB-CG 3.78Å; A211-D241 HydrophobicContact CB-CB 4.34Å; A211-D241 VanDerWaalsContact CB-CG 3.45Å; A211-D241 WeakPolarHBondContact CB-OD1 3.24Å; A211-D241 WeakPolarHBondContact CB-OD2 3.5Å; A211-Y263 HydrophobicContact CB-CE1 4.01Å; A211-Y263 WeakPolarHBondContact O-CD1 3.49Å
212	L	97.8	Very high	95.3	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.209	31%	0.311	C	S	.	.	S	Bend	trans	-70.3	-35.4	-176.3	-68.8	-176.5	0	0	0	111.4	V238 K239 K264 F265 A330	L212-V238 HydrophobicContact CB-CG1 4.27Å; L212-V238 HydrophobicContact CD1-CG1 4.3Å; L212-K239 PolarHBondContact N-O 3.08Å; L212-K264 PolarHBondContact O-N 2.99Å; L212-F265 HydrophobicContact CB-CD2 4.17Å; L212-F265 WeakPolarHBondContact O-CD2 3.46Å; L212-F265 PolarHBondContact O-N 2.98Å; L212-A330 HydrophobicContact CD1-CB 4.04Å; L212-A330 HydrophobicContact CD2-CB 3.52Å; L212-A330 HydrophobicContact CG-CB 4.43Å
213	A	98.6	Very high	94.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.3	-177.3	0	0	0	0	0	112.7	A211 I240 D241 Y263 F265 L267 M326	A211-A213 VanDerWaalsContact C-N 3.33Å; A213-I240 HydrophobicContact CB-CG1 4.22Å; A213-I240 WeakPolarHBondContact O-CA 3.36Å; A213-D241 PolarHBondContact O-N 3.38Å; A213-Y263 VanDerWaalsContact C-CD1 3.45Å; A213-F265 VanDerWaalsContact CA-O 3.24Å; A213-F265 WeakPolarHBondContact CA-O 3.24Å; A213-F265 HydrophobicContact CB-CB 3.71Å; A213-L267 HydrophobicContact CB-CD2 4Å; A213-L267 HydrophobicContact CB-CG 4.33Å; A213-M326 HydrophobicContact CB-CE 3.91Å
214	A	98.2	Very high	94.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145	165.4	0	0	0	0	0	111.2	F216 D241 Y243 L260 Y263 F265 L267	A214-F216 HydrophobicContact CB-CE2 4.01Å; A214-D241 CarbonylContact C-O 3.57Å; A214-D241 VanDerWaalsContact CA-O 3.23Å; A214-D241 WeakPolarHBondContact CA-O 3.41Å; A214-Y243 HydrophobicContact CB-CD2 4.39Å; A214-Y243 HydrophobicContact CB-CE2 4.12Å; A214-L260 HydrophobicContact CB-CD2 3.9Å; A214-Y263 HydrophobicContact CB-CD1 3.8Å; A214-Y263 HydrophobicContact CB-CD2 3.58Å; A214-Y263 HydrophobicContact CB-CE1 3.82Å; A214-Y263 HydrophobicContact CB-CE2 3.63Å; A214-Y263 HydrophobicContact CB-CG 3.67Å; A214-F265 PolarHBondContact N-O 3.21Å; A214-L267 PolarHBondContact O-N 3.22Å
215	A	97.6	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.2	172.6	0	0	0	0	0	109.2	I217 L230 I240 D241 Y243 L267	A215-I217 HydrophobicContact CB-CD1 4.3Å; A215-I217 HydrophobicContact CB-CG1 4.28Å; A215-L230 HydrophobicContact CB-CD1 4.46Å; A215-I240 HydrophobicContact CB-CG2 4.27Å; A215-D241 PolarHBondContact N-O 3.21Å; A215-Y243 PolarHBondContact O-N 3.11Å; A215-L267 HydrophobicContact CB-CB 3.95Å; A215-L267 HydrophobicContact CB-CD1 3.85Å; A215-L267 HydrophobicContact CB-CG 4.08Å
216	F	96.3	Very high	94.7	Very high	40 Å²	40	52.7 Å²	52.7	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	93	174.3	-73.7	-99.5	0	0	0	108.2	A214 Y243 V254 K256 A259 L260	A214-F216 HydrophobicContact CB-CE2 4.01Å; F216-Y243 HydrophobicContact CD1-CD2 4.43Å; F216-Y243 HydrophobicContact CD1-CG 4.09Å; F216-Y243 HydrophobicContact CD2-CD2 4.31Å; F216-Y243 HydrophobicContact CE1-CD1 4.13Å; F216-Y243 AromaticContact CE1-CD2 3.92Å; F216-Y243 HydrophobicContact CE1-CD2 3.92Å; F216-Y243 AromaticContact CE1-CG 3.61Å; F216-Y243 HydrophobicContact CE1-CG 3.61Å; F216-Y243 AromaticContact CE2-CD2 3.77Å; F216-Y243 HydrophobicContact CE2-CD2 3.77Å; F216-Y243 HydrophobicContact CE2-CE2 4.26Å; F216-Y243 HydrophobicContact CE2-CG 4.33Å; F216-Y243 HydrophobicContact CZ-CD1 4.31Å; F216-Y243 AromaticContact CZ-CD2 3.55Å; F216-Y243 HydrophobicContact CZ-CD2 3.55Å; F216-Y243 AromaticContact CZ-CE2 3.99Å; F216-Y243 HydrophobicContact CZ-CE2 3.99Å; F216-Y243 AromaticContact CZ-CG 3.74Å; F216-Y243 HydrophobicContact CZ-CG 3.74Å; F216-V254 HydrophobicContact CE1-CG2 3.85Å; F216-V254 HydrophobicContact CZ-CG2 4.05Å; F216-K256 HydrophobicContact CB-CD 4.15Å; F216-K256 HydrophobicContact CB-CG 4.41Å; F216-K256 HydrophobicContact CD1-CB 4.14Å; F216-K256 HydrophobicContact CD1-CD 4.28Å; F216-K256 HydrophobicContact CD1-CG 3.81Å; F216-K256 HydrophobicContact CD2-CG 3.97Å; F216-K256 HydrophobicContact CE1-CB 4.05Å; F216-K256 HydrophobicContact CE1-CG 4.01Å; F216-K256 HydrophobicContact CE2-CG 4.16Å; F216-K256 HydrophobicContact CG-CD 4.08Å; F216-K256 HydrophobicContact CG-CG 3.8Å; F216-K256 HydrophobicContact CZ-CB 4.44Å; F216-K256 HydrophobicContact CZ-CG 4.19Å; F216-A259 HydrophobicContact CZ-CB 3.93Å; F216-L260 HydrophobicContact CD2-CD2 4.03Å; F216-L260 HydrophobicContact CD2-CG 4.31Å; F216-L260 HydrophobicContact CE2-CD2 3.69Å; F216-L260 HydrophobicContact CE2-CG 3.87Å
217	I	94.2	Very high	94.6	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.1	-172.5	-48.1	-179.2	0	0	0	109.6	A215 L227 L230 Y243 G244 G245 C246 F269	A215-I217 HydrophobicContact CB-CD1 4.3Å; A215-I217 HydrophobicContact CB-CG1 4.28Å; I217-L227 HydrophobicContact CD1-CD2 4.25Å; I217-L227 HydrophobicContact CG2-CD2 4.29Å; I217-L230 HydrophobicContact CD1-CD2 4.09Å; I217-Y243 PolarHBondContact N-O 3.29Å; I217-Y243 VanDerWaalsContact N-O 3.07Å; I217-G244 CarbonylContact O-C 3.51Å; I217-G245 PolarHBondContact O-N 3.18Å; I217-C246 HydrophobicContact CB-CB 4.16Å; I217-C246 HydrophobicContact CG2-CB 4.11Å; I217-C246 PolarHBondContact O-N 2.98Å; I217-C246 PolarHBondContact O-SG 3.08Å; I217-C246 VanDerWaalsContact O-SG 3.33Å; I217-F269 HydrophobicContact CD1-CD2 4.15Å
218	S	91.8	Very high	94.5	Very high	97 Å²	97	53 Å²	53	68%	0.678	28%	0.281	S	S	*	.			trans	-99.9	-34.6	178.8	-56.5	0	0	0	0	113.3	C220	S218-C220 PolarHBondContact O-N 3.44Å
219	N	91.3	Very high	94.6	Very high	60 Å²	60	48.5 Å²	48.5	32%	0.321	25%	0.254	S	S	.	.			trans	-87.9	99.7	178.6	174.5	13.1	0	0	0	110.8	A221 R226	N219-A221 VanDerWaalsContact C-N 3.28Å; N219-A221 PolarHBondContact O-N 2.97Å; N219-A221 PolarHBondContact OD1-N 3.14Å; N219-R226 PolarHBondContact O-NH2 2.96Å
220	C	92.2	Very high	94.6	Very high	61 Å²	61	45.6 Å²	45.6	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.8	-178.8	-46.1	0	0	0	0	113.9	S218 L227 C246	S218-C220 PolarHBondContact O-N 3.44Å; C220-L227 HydrophobicContact CB-CD1 4.27Å; C220-L227 VanDerWaalsContact O-CD1 3.22Å; C220-L227 WeakPolarHBondContact O-CD1 3.47Å; C220-C246 WeakPolarHBondContact CA-SG 3.31Å; C220-C246 HydrophobicContact CB-CB 4.06Å; C220-C246 WeakPolarHBondContact CB-SG 3.39Å; C220-C246 PolarHBondContact N-SG 3.35Å; C220-C246 WeakPolarHBondContact SG-CA 3.37Å; C220-C246 WeakPolarHBondContact SG-CB 3.3Å; C220-C246 PolarHBondContact SG-N 3.22Å; C220-C246 VanDerWaalsContact SG-N 3.42Å; C220-C246 CovalentContact SG-SG 2.04Å; C220-C246 PolarHBondContact SG-SG 2.83Å
221	A	88.7	Confident	94.6	Very high	80 Å²	80	41.7 Å²	41.7	66%	0.661	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	21.7	-178.9	0	0	0	0	0	112.5	N219 R223	N219-A221 VanDerWaalsContact C-N 3.28Å; N219-A221 PolarHBondContact O-N 2.97Å; N219-A221 PolarHBondContact OD1-N 3.14Å; A221-R223 PolarHBondContact O-N 2.71Å
222	A	85.8	Confident	94.6	Very high	17 Å²	17	42.8 Å²	42.8	14%	0.14	23%	0.234	C	C	.	.			trans	-61.5	139.1	176.9	0	0	0	0	0	111.2	Y162 N224 R226	Y162-A222 VanDerWaalsContact OH-CA 3.3Å; Y162-A222 WeakPolarHBondContact OH-CA 3.32Å; A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 3.36Å; A222-R226 HydrophobicContact CB-CG 4.47Å; A222-R226 VanDerWaalsContact CB-CZ 3.44Å; A222-R226 VanDerWaalsContact CB-NE 3.29Å
223	R	84.5	Confident	94.6	Very high	171 Å²	171	40.9 Å²	40.9	65%	0.645	22%	0.224	S	C	*	.	S	Bend	trans	-81.2	-5.2	-173.5	-63.9	-180	177.3	171.7	-1.5	114.4	Q161 Y162 A221	Q161-R223 PolarHBondContact O-NH1 3.26Å; Y162-R223 HydrophobicContact CE1-CG 4.18Å; Y162-R223 PolarHBondContact OH-N 3.47Å; Y162-R223 VanDerWaalsContact OH-N 3.15Å; A221-R223 PolarHBondContact O-N 2.71Å
224	N	94.5	Very high	94.6	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.091	24%	0.235	C	C	.	.	S	Bend	trans	-93.7	-179	176.6	69.9	-3.6	0	0	0	111.4	A222 R226 E270 N273	A222-N224 VanDerWaalsContact C-N 3.3Å; A222-N224 PolarHBondContact O-N 3.36Å; N224-R226 VanDerWaalsContact C-N 3.25Å; N224-R226 PolarHBondContact O-N 2.86Å; N224-R226 WeakPolarHBondContact OD1-CB 3.45Å; N224-R226 WeakPolarHBondContact OD1-CD 3.39Å; N224-R226 VanDerWaalsContact OD1-CG 3.31Å; N224-R226 WeakPolarHBondContact OD1-CG 3.32Å; N224-R226 PolarHBondContact OD1-N 2.8Å; N224-E270 PolarHBondContact ND2-O 3.33Å; N224-N273 PolarHBondContact ND2-OD1 2.88Å
225	F	96.1	Very high	94.6	Very high	39 Å²	39	50.6 Å²	50.6	17%	0.171	27%	0.267	C	S	.	.	S	Bend	trans	-85.6	16.5	-174.7	64.4	-92.7	0	0	0	114.2	L227 Q228 A229 N273 V295 I313 K314 M316	F225-L227 PolarHBondContact O-N 2.6Å; F225-Q228 WeakPolarHBondContact O-CB 3.41Å; F225-Q228 PolarHBondContact O-N 3.26Å; F225-Q228 PolarHBondContact O-OE1 3.48Å; F225-A229 HydrophobicContact CD2-CB 4.05Å; F225-A229 HydrophobicContact CE2-CB 4.29Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.28Å; F225-N273 WeakPolarHBondContact CE1-ND2 3.43Å; F225-V295 HydrophobicContact CD2-CG1 4.23Å; F225-V295 HydrophobicContact CE1-CG1 4.31Å; F225-V295 HydrophobicContact CE2-CG1 3.76Å; F225-V295 HydrophobicContact CE2-CG2 4.01Å; F225-V295 HydrophobicContact CZ-CG1 3.79Å; F225-I313 HydrophobicContact CE2-CG2 3.93Å; F225-I313 WeakPolarHBondContact CZ-O 3.28Å; F225-K314 WeakPolarHBondContact CE1-O 3.22Å; F225-K314 VanDerWaalsContact CZ-O 3.24Å; F225-K314 WeakPolarHBondContact CZ-O 3.24Å; F225-M316 HydrophobicContact CB-CG 4.42Å; F225-M316 HydrophobicContact CB-SD 4.09Å; F225-M316 HydrophobicContact CD2-CG 4.16Å; F225-M316 HydrophobicContact CD2-SD 3.55Å; F225-M316 VanDerWaalsContact CD2-SD 3.55Å; F225-M316 HydrophobicContact CE2-SD 4.4Å; F225-M316 HydrophobicContact CG-CG 4.42Å; F225-M316 HydrophobicContact CG-SD 4.16Å
226	R	96.3	Very high	94.6	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-34.1	-168.7	77.6	-173.9	-171.8	179.3	-13.6	114.4	N219 A222 N224 A229 L230 F269 E270 N271 V295	N219-R226 PolarHBondContact O-NH2 2.96Å; A222-R226 HydrophobicContact CB-CG 4.47Å; A222-R226 VanDerWaalsContact CB-CZ 3.44Å; A222-R226 VanDerWaalsContact CB-NE 3.29Å; N224-R226 VanDerWaalsContact C-N 3.25Å; N224-R226 PolarHBondContact O-N 2.86Å; N224-R226 WeakPolarHBondContact OD1-CB 3.45Å; N224-R226 WeakPolarHBondContact OD1-CD 3.39Å; N224-R226 VanDerWaalsContact OD1-CG 3.31Å; N224-R226 WeakPolarHBondContact OD1-CG 3.32Å; N224-R226 PolarHBondContact OD1-N 2.8Å; R226-A229 PolarHBondContact O-N 2.94Å; R226-L230 PolarHBondContact O-N 2.96Å; R226-F269 HydrophobicContact CB-CB 4.03Å; R226-F269 HydrophobicContact CB-CD2 3.89Å; R226-F269 HydrophobicContact CB-CG 4.22Å; R226-F269 PolarHBondContact NH1-O 3.27Å; R226-F269 WeakPolarHBondContact O-CD2 3.46Å; R226-F269 WeakPolarHBondContact O-CE2 3.43Å; R226-E270 WeakPolarHBondContact CD-O 3.43Å; R226-E270 VanDerWaalsContact NH1-C 3.26Å; R226-E270 PolarHBondContact NH1-O 3.16Å; R226-E270 VanDerWaalsContact NH1-O 3.09Å; R226-N271 PolarHBondContact NH1-OD1 2.89Å; R226-N271 PolarHBondContact NH2-OD1 3.22Å; R226-V295 HydrophobicContact CB-CB 4.33Å; R226-V295 HydrophobicContact CB-CG1 3.95Å
227	L	96	Very high	94.5	Very high	40 Å²	40	57 Å²	57	21%	0.209	30%	0.304	C	S	.	.	H	α-helix	trans	-75.1	-38	178	-68	-174.4	0	0	0	110.7	I217 C220 F225 A229 L230 E231 C246	I217-L227 HydrophobicContact CD1-CD2 4.25Å; I217-L227 HydrophobicContact CG2-CD2 4.29Å; C220-L227 HydrophobicContact CB-CD1 4.27Å; C220-L227 VanDerWaalsContact O-CD1 3.22Å; C220-L227 WeakPolarHBondContact O-CD1 3.47Å; F225-L227 PolarHBondContact O-N 2.6Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 2.96Å; L227-L230 HydrophobicContact CD2-CD2 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.27Å; L227-L230 PolarHBondContact O-N 3.28Å; L227-E231 WeakPolarHBondContact O-CG 3.46Å; L227-E231 PolarHBondContact O-N 3.31Å; L227-C246 HydrophobicContact CD2-CB 3.98Å
228	Q	96.6	Very high	94.7	Very high	99 Å²	99	56.9 Å²	56.9	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-41.8	171.3	-60.8	86.3	-20.4	0	0	110.6	F225 E231 A232 M316	F225-Q228 WeakPolarHBondContact O-CB 3.41Å; F225-Q228 PolarHBondContact O-N 3.26Å; F225-Q228 PolarHBondContact O-OE1 3.48Å; Q228-E231 PolarHBondContact O-N 3.21Å; Q228-A232 WeakPolarHBondContact O-CB 3.41Å; Q228-A232 PolarHBondContact O-N 3.1Å; Q228-M316 HydrophobicContact CB-CE 3.87Å; Q228-M316 HydrophobicContact CB-SD 3.83Å
229	A	98	Very high	95	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-43	174.6	0	0	0	0	0	112.2	F225 R226 L227 A232 L233 F269 V295 I313 M316 V319	F225-A229 HydrophobicContact CD2-CB 4.05Å; F225-A229 HydrophobicContact CE2-CB 4.29Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.28Å; R226-A229 PolarHBondContact O-N 2.94Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 2.96Å; A229-A232 PolarHBondContact O-N 3.02Å; A229-L233 WeakPolarHBondContact O-CB 3.48Å; A229-L233 WeakPolarHBondContact O-CG 3.45Å; A229-L233 PolarHBondContact O-N 3.35Å; A229-F269 HydrophobicContact CB-CE2 4.23Å; A229-F269 HydrophobicContact CB-CZ 4.36Å; A229-V295 HydrophobicContact CB-CG2 3.93Å; A229-I313 HydrophobicContact CB-CG2 4.43Å; A229-M316 HydrophobicContact CB-SD 4.35Å; A229-V319 HydrophobicContact CB-CG2 4.4Å
230	L	97.5	Very high	95.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-54	174.5	170.9	60.8	0	0	0	110.9	A215 I217 R226 L227 A232 L233 M234 I240 H247 L267 F269	A215-L230 HydrophobicContact CB-CD1 4.46Å; I217-L230 HydrophobicContact CD1-CD2 4.09Å; R226-L230 PolarHBondContact O-N 2.96Å; L227-L230 HydrophobicContact CD2-CD2 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.27Å; L227-L230 PolarHBondContact O-N 3.28Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 3.38Å; L230-L233 PolarHBondContact O-N 2.97Å; L230-M234 HydrophobicContact CD1-CG 4.29Å; L230-M234 HydrophobicContact CD1-SD 4.01Å; L230-M234 HydrophobicContact CG-SD 4.24Å; L230-M234 WeakPolarHBondContact O-CG 3.48Å; L230-M234 PolarHBondContact O-N 3.17Å; L230-I240 HydrophobicContact CD1-CD1 4.13Å; L230-I240 HydrophobicContact CD1-CG2 3.9Å; L230-H247 HydrophobicContact CD2-CB 4.24Å; L230-L267 HydrophobicContact CD1-CD1 3.69Å; L230-F269 HydrophobicContact CB-CE2 4.01Å
231	E	96.7	Very high	95.6	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-41.4	179.5	-71	178.8	-167.9	0	0	112.2	L227 Q228 M234 K235	L227-E231 WeakPolarHBondContact O-CG 3.46Å; L227-E231 PolarHBondContact O-N 3.31Å; Q228-E231 PolarHBondContact O-N 3.21Å; E231-M234 PolarHBondContact O-N 2.92Å; E231-K235 VanDerWaalsContact O-CG 3.29Å; E231-K235 WeakPolarHBondContact O-CG 3.33Å; E231-K235 PolarHBondContact O-N 3.14Å
232	A	98	Very high	96	Very high	24 Å²	24	48.8 Å²	48.8	20%	0.198	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-40.6	178.5	0	0	0	0	0	111.5	Q228 A229 L230 K235 T236 M316 V319	Q228-A232 WeakPolarHBondContact O-CB 3.41Å; Q228-A232 PolarHBondContact O-N 3.1Å; A229-A232 PolarHBondContact O-N 3.02Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 3.38Å; A232-K235 PolarHBondContact O-N 2.86Å; A232-T236 VanDerWaalsContact O-CG2 3.27Å; A232-T236 WeakPolarHBondContact O-CG2 3.44Å; A232-T236 PolarHBondContact O-N 3.05Å; A232-M316 HydrophobicContact CB-CE 3.85Å; A232-V319 HydrophobicContact CB-CB 4.42Å; A232-V319 HydrophobicContact CB-CG1 3.74Å; A232-V319 HydrophobicContact CB-CG2 4.29Å
233	L	98.4	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-46.1	172.2	-78.6	171.7	0	0	0	111.2	A229 L230 K235 T236 I240 L267 F269 I313 V319 V322 A323 M326	A229-L233 WeakPolarHBondContact O-CB 3.48Å; A229-L233 WeakPolarHBondContact O-CG 3.45Å; A229-L233 PolarHBondContact O-N 3.35Å; L230-L233 PolarHBondContact O-N 2.97Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 2.95Å; L233-T236 WeakPolarHBondContact O-CB 3.32Å; L233-T236 PolarHBondContact O-N 3.1Å; L233-T236 PolarHBondContact O-OG1 3.35Å; L233-I240 HydrophobicContact CB-CD1 3.68Å; L233-I240 HydrophobicContact CD1-CD1 4.32Å; L233-L267 HydrophobicContact CD1-CD1 4.3Å; L233-L267 HydrophobicContact CD1-CD2 4.28Å; L233-F269 HydrophobicContact CD1-CZ 3.9Å; L233-I313 HydrophobicContact CD1-CD1 3.76Å; L233-I313 HydrophobicContact CD2-CD1 4.17Å; L233-I313 HydrophobicContact CG-CD1 4.09Å; L233-V319 HydrophobicContact CD2-CG1 3.92Å; L233-V319 HydrophobicContact CG-CG1 3.97Å; L233-V322 HydrophobicContact CD2-CG1 4.43Å; L233-A323 HydrophobicContact CD2-CB 4.1Å; L233-M326 HydrophobicContact CD2-SD 4.13Å
234	M	97.5	Very high	96.7	Very high	47 Å²	47	41.5 Å²	41.5	23%	0.232	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-41.2	178.3	-67.7	-179.8	68.8	0	0	111.8	L230 E231 T236 N237 I240 H247	L230-M234 HydrophobicContact CD1-CG 4.29Å; L230-M234 HydrophobicContact CD1-SD 4.01Å; L230-M234 HydrophobicContact CG-SD 4.24Å; L230-M234 WeakPolarHBondContact O-CG 3.48Å; L230-M234 PolarHBondContact O-N 3.17Å; E231-M234 PolarHBondContact O-N 2.92Å; M234-T236 PolarHBondContact O-N 3.45Å; M234-T236 VanDerWaalsContact O-N 3.17Å; M234-N237 PolarHBondContact O-N 3.2Å; M234-I240 HydrophobicContact CG-CB 4.11Å; M234-I240 HydrophobicContact CG-CD1 3.73Å; M234-I240 HydrophobicContact CG-CG1 4.28Å; M234-H247 VanDerWaalsContact CE-CE1 3.42Å; M234-H247 WeakPolarHBondContact CE-CE1 3.3Å; M234-H247 WeakPolarHBondContact CE-NE2 3.41Å; M234-H247 PolarHBondContact SD-NE2 3.21Å
235	K	97.8	Very high	96.5	Very high	158 Å²	158	42.9 Å²	42.9	69%	0.687	23%	0.227	S	C	*	.	H	α-helix	trans	-62.9	-18	174.8	-73	168	-175.7	166.5	0	113.6	E231 A232 L233 N237	E231-K235 VanDerWaalsContact O-CG 3.29Å; E231-K235 WeakPolarHBondContact O-CG 3.33Å; E231-K235 PolarHBondContact O-N 3.14Å; A232-K235 PolarHBondContact O-N 2.86Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 2.95Å; K235-N237 PolarHBondContact O-N 3.39Å
236	T	97.9	Very high	96.3	Very high	32 Å²	32	41.2 Å²	41.2	20%	0.196	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	7.6	173	73.6	0	0	0	0	113.8	A232 L233 M234 V238 V319 A323 K327	A232-T236 VanDerWaalsContact O-CG2 3.27Å; A232-T236 WeakPolarHBondContact O-CG2 3.44Å; A232-T236 PolarHBondContact O-N 3.05Å; L233-T236 WeakPolarHBondContact O-CB 3.32Å; L233-T236 PolarHBondContact O-N 3.1Å; L233-T236 PolarHBondContact O-OG1 3.35Å; M234-T236 PolarHBondContact O-N 3.45Å; M234-T236 VanDerWaalsContact O-N 3.17Å; T236-V238 VanDerWaalsContact C-N 3.33Å; T236-V238 WeakPolarHBondContact OG1-CG2 3.24Å; T236-V319 HydrophobicContact CG2-CG1 4.42Å; T236-A323 HydrophobicContact CG2-CB 3.8Å; T236-A323 WeakPolarHBondContact OG1-CB 3.11Å; T236-K327 WeakPolarHBondContact O-CE 3.31Å; T236-K327 PolarHBondContact O-NZ 3Å
237	N	95.7	Very high	96	Very high	142 Å²	142	45.8 Å²	45.8	76%	0.759	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	29.5	-172.5	-55.4	-32.4	0	0	0	113.8	M234 K235	M234-N237 PolarHBondContact O-N 3.2Å; K235-N237 PolarHBondContact O-N 3.39Å
238	V	97.8	Very high	95.7	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	26%	0.261	C	S	.	.			trans	-89.1	115.5	163.4	175.1	0	0	0	0	107.1	L212 T236 I240 A323 M326 K327	L212-V238 HydrophobicContact CB-CG1 4.27Å; L212-V238 HydrophobicContact CD1-CG1 4.3Å; T236-V238 VanDerWaalsContact C-N 3.33Å; T236-V238 WeakPolarHBondContact OG1-CG2 3.24Å; V238-I240 HydrophobicContact CG1-CD1 4.24Å; V238-I240 HydrophobicContact CG1-CG1 3.96Å; V238-I240 PolarHBondContact O-N 3.14Å; V238-A323 HydrophobicContact CG2-CB 4.04Å; V238-M326 HydrophobicContact CG1-CE 3.71Å; V238-M326 HydrophobicContact CG1-SD 4.37Å; V238-K327 HydrophobicContact CG2-CG 4.26Å
239	K	97.8	Very high	95.6	Very high	118 Å²	118	50.4 Å²	50.4	51%	0.513	26%	0.258	S	S	.	.			trans	-72	120.9	177	-171.3	-178.3	177.1	-179.1	0	109.6	A211 L212	A211-K239 HydrophobicContact CB-CB 4.3Å; A211-K239 HydrophobicContact CB-CD 3.99Å; A211-K239 HydrophobicContact CB-CG 3.78Å; L212-K239 PolarHBondContact N-O 3.08Å
240	I	98.4	Very high	95.3	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.5	-177.7	-60.9	166.6	0	0	0	108.6	A213 A215 L230 L233 M234 V238 N249 L267	A213-I240 HydrophobicContact CB-CG1 4.22Å; A213-I240 WeakPolarHBondContact O-CA 3.36Å; A215-I240 HydrophobicContact CB-CG2 4.27Å; L230-I240 HydrophobicContact CD1-CD1 4.13Å; L230-I240 HydrophobicContact CD1-CG2 3.9Å; L233-I240 HydrophobicContact CB-CD1 3.68Å; L233-I240 HydrophobicContact CD1-CD1 4.32Å; M234-I240 HydrophobicContact CG-CB 4.11Å; M234-I240 HydrophobicContact CG-CD1 3.73Å; M234-I240 HydrophobicContact CG-CG1 4.28Å; V238-I240 HydrophobicContact CG1-CD1 4.24Å; V238-I240 HydrophobicContact CG1-CG1 3.96Å; V238-I240 PolarHBondContact O-N 3.14Å; I240-N249 PolarHBondContact O-ND2 3.15Å; I240-L267 HydrophobicContact CD1-CD1 4.15Å; I240-L267 HydrophobicContact CG2-CD1 4.02Å
241	D	97.6	Very high	94.6	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.4	168.2	-66.8	-22.7	0	0	0	109.1	A211 A213 A214 A215 Y243 N249 R250 Y263	A211-D241 HydrophobicContact CB-CB 4.34Å; A211-D241 VanDerWaalsContact CB-CG 3.45Å; A211-D241 WeakPolarHBondContact CB-OD1 3.24Å; A211-D241 WeakPolarHBondContact CB-OD2 3.5Å; A213-D241 PolarHBondContact O-N 3.38Å; A214-D241 CarbonylContact C-O 3.57Å; A214-D241 VanDerWaalsContact CA-O 3.23Å; A214-D241 WeakPolarHBondContact CA-O 3.41Å; A215-D241 PolarHBondContact N-O 3.21Å; D241-Y243 HydrophobicContact CB-CE2 3.9Å; D241-N249 WeakPolarHBondContact CA-OD1 3.44Å; D241-R250 HydrophobicContact CB-CB 4.23Å; D241-R250 VanDerWaalsContact CG-CD 3.48Å; D241-R250 IonicContact OD1-NH1 3.19Å; D241-R250 WeakPolarHBondContact OD2-CD 3.01Å; D241-R250 IonicContact OD2-CZ 3.91Å; D241-R250 IonicContact OD2-NE 2.85Å; D241-R250 IonicContact OD2-NH1 3.16Å; D241-R250 PolarHBondContact OD2-NH1 3.15Å; D241-Y263 HydrophobicContact CB-CE1 4.08Å; D241-Y263 WeakPolarHBondContact CB-OH 3.31Å; D241-Y263 WeakPolarHBondContact OD2-CE1 3.48Å; D241-Y263 PolarHBondContact OD2-OH 2.87Å
242	S	96.3	Very high	93.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.3	-179.7	-164.4	0	0	0	0	109.8	C246 R248 N249 R250	S242-C246 PolarHBondContact OG-O 3.17Å; S242-R248 CarbonylContact O-C 3.4Å; S242-R248 VanDerWaalsContact O-CA 3.22Å; S242-R248 WeakPolarHBondContact O-CA 3.43Å; S242-N249 PolarHBondContact N-OD1 2.88Å; S242-N249 PolarHBondContact O-N 3.33Å; S242-N249 VanDerWaalsContact O-N 3.1Å; S242-N249 PolarHBondContact O-OD1 2.93Å; S242-R250 PolarHBondContact O-N 3.32Å
243	Y	95.3	Very high	92.6	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	163.5	172.4	-59.6	-94.7	0	0	0	110.2	A214 A215 F216 I217 D241 R250 D251 V254 Y263	A214-Y243 HydrophobicContact CB-CD2 4.39Å; A214-Y243 HydrophobicContact CB-CE2 4.12Å; A215-Y243 PolarHBondContact O-N 3.11Å; F216-Y243 HydrophobicContact CD1-CD2 4.43Å; F216-Y243 HydrophobicContact CD1-CG 4.09Å; F216-Y243 HydrophobicContact CD2-CD2 4.31Å; F216-Y243 HydrophobicContact CE1-CD1 4.13Å; F216-Y243 AromaticContact CE1-CD2 3.92Å; F216-Y243 HydrophobicContact CE1-CD2 3.92Å; F216-Y243 AromaticContact CE1-CG 3.61Å; F216-Y243 HydrophobicContact CE1-CG 3.61Å; F216-Y243 AromaticContact CE2-CD2 3.77Å; F216-Y243 HydrophobicContact CE2-CD2 3.77Å; F216-Y243 HydrophobicContact CE2-CE2 4.26Å; F216-Y243 HydrophobicContact CE2-CG 4.33Å; F216-Y243 HydrophobicContact CZ-CD1 4.31Å; F216-Y243 AromaticContact CZ-CD2 3.55Å; F216-Y243 HydrophobicContact CZ-CD2 3.55Å; F216-Y243 AromaticContact CZ-CE2 3.99Å; F216-Y243 HydrophobicContact CZ-CE2 3.99Å; F216-Y243 AromaticContact CZ-CG 3.74Å; F216-Y243 HydrophobicContact CZ-CG 3.74Å; I217-Y243 PolarHBondContact N-O 3.29Å; I217-Y243 VanDerWaalsContact N-O 3.07Å; D241-Y243 HydrophobicContact CB-CE2 3.9Å; Y243-R250 HydrophobicContact CD1-CB 4.29Å; Y243-R250 HydrophobicContact CE1-CB 3.92Å; Y243-R250 HydrophobicContact CE1-CG 3.72Å; Y243-R250 HydrophobicContact CE2-CB 4.41Å; Y243-R250 WeakPolarHBondContact OH-CD 3.26Å; Y243-R250 PolarHBondContact OH-NE 3.46Å; Y243-D251 WeakPolarHBondContact CD1-O 3.46Å; Y243-D251 WeakPolarHBondContact CE1-O 3.46Å; Y243-V254 HydrophobicContact CD1-CG2 3.82Å; Y243-V254 HydrophobicContact CE1-CG1 4.34Å; Y243-V254 HydrophobicContact CE1-CG2 3.72Å; Y243-Y263 HydrophobicContact CE2-CE2 4.38Å; Y243-Y263 PolarHBondContact OH-OH 3.02Å
244	G	91.7	Very high	92.3	Very high	25 Å²	25	65.4 Å²	65.4	26%	0.258	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-150.1	-180	0	0	0	0	0	113.1	I217 R248	I217-G244 CarbonylContact O-C 3.51Å; G244-R248 WeakPolarHBondContact O-CD 3.48Å; G244-R248 WeakPolarHBondContact O-CG 3.33Å
245	G	90.1	Very high	92.1	Very high	46 Å²	46	70.5 Å²	70.5	47%	0.474	38%	0.377	S	S	.	.	S	Bend	trans	-86.1	-22.2	-174.8	0	0	0	0	0	114.4	I217	I217-G245 PolarHBondContact O-N 3.18Å
246	C	91.2	Very high	92	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.034	35%	0.354	C	S	.	.	S	Bend	trans	-108.5	135.2	-170.9	-41.1	0	0	0	0	111.5	I217 C220 L227 S242 R248	I217-C246 HydrophobicContact CB-CB 4.16Å; I217-C246 HydrophobicContact CG2-CB 4.11Å; I217-C246 PolarHBondContact O-N 2.98Å; I217-C246 PolarHBondContact O-SG 3.08Å; I217-C246 VanDerWaalsContact O-SG 3.33Å; C220-C246 WeakPolarHBondContact CA-SG 3.31Å; C220-C246 HydrophobicContact CB-CB 4.06Å; C220-C246 WeakPolarHBondContact CB-SG 3.39Å; C220-C246 PolarHBondContact N-SG 3.35Å; C220-C246 WeakPolarHBondContact SG-CA 3.37Å; C220-C246 WeakPolarHBondContact SG-CB 3.3Å; C220-C246 PolarHBondContact SG-N 3.22Å; C220-C246 VanDerWaalsContact SG-N 3.42Å; C220-C246 CovalentContact SG-SG 2.04Å; C220-C246 PolarHBondContact SG-SG 2.83Å; L227-C246 HydrophobicContact CD2-CB 3.98Å; S242-C246 PolarHBondContact OG-O 3.17Å; C246-R248 PolarHBondContact O-N 3.47Å
247	H	90.6	Very high	92	Very high	100 Å²	100	65.2 Å²	65.2	46%	0.463	35%	0.354	S	S	.	.	S	Bend	trans	59.8	-45.4	-172.8	-167.3	-62.5	0	0	0	114.8	L230 M234 N249	L230-H247 HydrophobicContact CD2-CB 4.24Å; M234-H247 VanDerWaalsContact CE-CE1 3.42Å; M234-H247 WeakPolarHBondContact CE-CE1 3.3Å; M234-H247 WeakPolarHBondContact CE-NE2 3.41Å; M234-H247 PolarHBondContact SD-NE2 3.21Å; H247-N249 PolarHBondContact O-N 3.36Å
248	R	89.7	Confident	92.1	Very high	161 Å²	161	63.1 Å²	63.1	61%	0.608	34%	0.34	S	S	*	.			trans	43.5	56.4	167.3	-163.6	-178.6	170.8	171.7	-1.5	113.7	S242 G244 C246 R250	S242-R248 CarbonylContact O-C 3.4Å; S242-R248 VanDerWaalsContact O-CA 3.22Å; S242-R248 WeakPolarHBondContact O-CA 3.43Å; G244-R248 WeakPolarHBondContact O-CD 3.48Å; G244-R248 WeakPolarHBondContact O-CG 3.33Å; C246-R248 PolarHBondContact O-N 3.47Å; R248-R250 VanDerWaalsContact C-N 3.34Å
249	N	93.9	Very high	92	Very high	74 Å²	74	63.8 Å²	63.8	40%	0.396	35%	0.345	S	S	.	.			trans	-90.1	-0.3	176.2	70	2	0	0	0	113	I240 D241 S242 H247	I240-N249 PolarHBondContact O-ND2 3.15Å; D241-N249 WeakPolarHBondContact CA-OD1 3.44Å; S242-N249 PolarHBondContact N-OD1 2.88Å; S242-N249 PolarHBondContact O-N 3.33Å; S242-N249 VanDerWaalsContact O-N 3.1Å; S242-N249 PolarHBondContact O-OD1 2.93Å; H247-N249 PolarHBondContact O-N 3.36Å
250	R	91	Very high	92	Very high	86 Å²	86	58.1 Å²	58.1	33%	0.325	32%	0.321	S	S	.	.	S	Bend	trans	-137.5	146.9	173.6	-156.9	140.3	179.2	-177.4	-12.3	110.5	E209 D241 S242 Y243 R248	E209-R250 IonicContact OE1-NH2 2.96Å; E209-R250 PolarHBondContact OE1-NH2 3.22Å; E209-R250 VanDerWaalsContact OE1-NH2 3.16Å; E209-R250 IonicContact OE2-CZ 3.51Å; E209-R250 VanDerWaalsContact OE2-CZ 3.3Å; E209-R250 IonicContact OE2-NH1 2.67Å; E209-R250 PolarHBondContact OE2-NH1 3.3Å; E209-R250 IonicContact OE2-NH2 3.3Å; E209-R250 PolarHBondContact OE2-NH2 3.49Å; D241-R250 HydrophobicContact CB-CB 4.23Å; D241-R250 VanDerWaalsContact CG-CD 3.48Å; D241-R250 IonicContact OD1-NH1 3.19Å; D241-R250 WeakPolarHBondContact OD2-CD 3.01Å; D241-R250 IonicContact OD2-CZ 3.91Å; D241-R250 IonicContact OD2-NE 2.85Å; D241-R250 IonicContact OD2-NH1 3.16Å; D241-R250 PolarHBondContact OD2-NH1 3.15Å; S242-R250 PolarHBondContact O-N 3.32Å; Y243-R250 HydrophobicContact CD1-CB 4.29Å; Y243-R250 HydrophobicContact CE1-CB 3.92Å; Y243-R250 HydrophobicContact CE1-CG 3.72Å; Y243-R250 HydrophobicContact CE2-CB 4.41Å; Y243-R250 WeakPolarHBondContact OH-CD 3.26Å; Y243-R250 PolarHBondContact OH-NE 3.46Å; R248-R250 VanDerWaalsContact C-N 3.34Å
251	D	82.9	Confident	92	Very high	127 Å²	127	60.2 Å²	60.2	68%	0.679	33%	0.329	S	S	*	.			trans	-68.9	138	-174	-75.3	-35.6	0	0	0	112.8	Y243	Y243-D251 WeakPolarHBondContact CD1-O 3.46Å; Y243-D251 WeakPolarHBondContact CE1-O 3.46Å
252	G	72.8	Confident	92.1	Very high	42 Å²	42	63 Å²	63	43%	0.433	34%	0.342	S	S	.	.	S	Bend	trans	-86.9	0.2	-165.8	0	0	0	0	0	116.9	V254	G252-V254 PolarHBondContact O-N 2.86Å
253	S	80.9	Confident	92.2	Very high	128 Å²	128	63 Å²	63	90%	0.895	34%	0.342	S	S	*	.			trans	-84.6	53.1	-176.8	-56.4	0	0	0	0	112.1
254	V	91.3	Very high	92.3	Very high	61 Å²	61	65.3 Å²	65.3	37%	0.37	35%	0.352	S	S	.	.	S	Bend	trans	-126.6	145.3	178.2	-58.9	0	0	0	0	110.6	F216 Y243 G252 K256 A259	F216-V254 HydrophobicContact CE1-CG2 3.85Å; F216-V254 HydrophobicContact CZ-CG2 4.05Å; Y243-V254 HydrophobicContact CD1-CG2 3.82Å; Y243-V254 HydrophobicContact CE1-CG1 4.34Å; Y243-V254 HydrophobicContact CE1-CG2 3.72Å; G252-V254 PolarHBondContact O-N 2.86Å; V254-K256 PolarHBondContact O-N 2.92Å; V254-A259 HydrophobicContact CB-CB 4.21Å; V254-A259 HydrophobicContact CG2-CB 3.84Å
255	E	94.7	Very high	92.7	Very high	153 Å²	153	64.1 Å²	64.1	72%	0.715	34%	0.34	S	S	*	.			trans	-68.5	117.5	167.2	-80.3	-57.1	145.4	0	0	109.5	V257 E258 A259	E255-V257 PolarHBondContact O-N 3.03Å; E255-E258 HydrophobicContact CB-CB 4.11Å; E255-E258 HydrophobicContact CB-CG 4.13Å; E255-E258 PolarHBondContact O-N 2.78Å; E255-A259 WeakPolarHBondContact O-CB 3.43Å; E255-A259 PolarHBondContact O-N 2.73Å
256	K	95.6	Very high	93.1	Very high	46 Å²	46	62.1 Å²	62.1	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-54.7	-52.5	-167.8	175.6	-178.5	175	-163.4	0	112.6	F216 V254 A259 L260	F216-K256 HydrophobicContact CB-CD 4.15Å; F216-K256 HydrophobicContact CB-CG 4.41Å; F216-K256 HydrophobicContact CD1-CB 4.14Å; F216-K256 HydrophobicContact CD1-CD 4.28Å; F216-K256 HydrophobicContact CD1-CG 3.81Å; F216-K256 HydrophobicContact CD2-CG 3.97Å; F216-K256 HydrophobicContact CE1-CB 4.05Å; F216-K256 HydrophobicContact CE1-CG 4.01Å; F216-K256 HydrophobicContact CE2-CG 4.16Å; F216-K256 HydrophobicContact CG-CD 4.08Å; F216-K256 HydrophobicContact CG-CG 3.8Å; F216-K256 HydrophobicContact CZ-CB 4.44Å; F216-K256 HydrophobicContact CZ-CG 4.19Å; V254-K256 PolarHBondContact O-N 2.92Å; K256-A259 PolarHBondContact O-N 3.22Å; K256-L260 HydrophobicContact CG-CD1 4.06Å; K256-L260 HydrophobicContact CG-CG 4.48Å; K256-L260 WeakPolarHBondContact O-CB 3.4Å; K256-L260 VanDerWaalsContact O-CG 3.25Å; K256-L260 WeakPolarHBondContact O-CG 3.27Å; K256-L260 PolarHBondContact O-N 2.7Å
257	V	96.9	Very high	93.4	Very high	34 Å²	34	62.3 Å²	62.3	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-39.9	-176	179.9	0	0	0	0	110.9	E255 L260 K261 Q284 V287	E255-V257 PolarHBondContact O-N 3.03Å; V257-L260 PolarHBondContact O-N 3.26Å; V257-K261 WeakPolarHBondContact O-CG 3.37Å; V257-K261 PolarHBondContact O-N 3.04Å; V257-K261 VanDerWaalsContact O-N 3.14Å; V257-Q284 HydrophobicContact CG2-CB 4.04Å; V257-Q284 HydrophobicContact CG2-CG 3.86Å; V257-V287 HydrophobicContact CG1-CG1 3.9Å
258	E	96.9	Very high	93.8	Very high	98 Å²	98	57.6 Å²	57.6	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-42.9	176.4	-64.7	-49.8	124.5	0	0	111.9	E255 K261 H262	E255-E258 HydrophobicContact CB-CB 4.11Å; E255-E258 HydrophobicContact CB-CG 4.13Å; E255-E258 PolarHBondContact O-N 2.78Å; E258-K261 WeakPolarHBondContact O-CB 3.39Å; E258-K261 PolarHBondContact O-N 3.45Å; E258-K261 WeakPolarHBondContact OE1-CE 3.43Å; E258-K261 IonicContact OE1-NZ 2.84Å; E258-K261 PolarHBondContact OE1-NZ 2.91Å; E258-K261 IonicContact OE2-NZ 3.82Å; E258-K261 PolarHBondContact OE2-NZ 2.73Å; E258-H262 PolarHBondContact O-CD2 3.14Å
259	A	97.2	Very high	94.2	Very high	16 Å²	16	50 Å²	50	13%	0.132	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-46.8	173.6	0	0	0	0	0	111.3	F216 V254 E255 K256 K261 H262 Y263	F216-A259 HydrophobicContact CZ-CB 3.93Å; V254-A259 HydrophobicContact CB-CB 4.21Å; V254-A259 HydrophobicContact CG2-CB 3.84Å; E255-A259 WeakPolarHBondContact O-CB 3.43Å; E255-A259 PolarHBondContact O-N 2.73Å; K256-A259 PolarHBondContact O-N 3.22Å; A259-K261 PolarHBondContact O-N 3.3Å; A259-H262 PolarHBondContact O-N 2.97Å; A259-Y263 VanDerWaalsContact O-CD2 3.27Å; A259-Y263 WeakPolarHBondContact O-CD2 3.33Å
260	L	98	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-29.6	-179	-75.2	178.2	0	0	0	113.3	A214 F216 K256 V257 H262 Y263 S266 A288 S290	A214-L260 HydrophobicContact CB-CD2 3.9Å; F216-L260 HydrophobicContact CD2-CD2 4.03Å; F216-L260 HydrophobicContact CD2-CG 4.31Å; F216-L260 HydrophobicContact CE2-CD2 3.69Å; F216-L260 HydrophobicContact CE2-CG 3.87Å; K256-L260 HydrophobicContact CG-CD1 4.06Å; K256-L260 HydrophobicContact CG-CG 4.48Å; K256-L260 WeakPolarHBondContact O-CB 3.4Å; K256-L260 VanDerWaalsContact O-CG 3.25Å; K256-L260 WeakPolarHBondContact O-CG 3.27Å; K256-L260 PolarHBondContact O-N 2.7Å; V257-L260 PolarHBondContact O-N 3.26Å; L260-H262 PolarHBondContact O-N 3.46Å; L260-Y263 PolarHBondContact O-N 2.77Å; L260-Y263 VanDerWaalsContact O-N 3.13Å; L260-S266 WeakPolarHBondContact CD2-OG 3.28Å; L260-A288 HydrophobicContact CB-CB 3.59Å; L260-S290 PolarHBondContact O-OG 3.13Å
261	K	98.2	Very high	94.6	Very high	45 Å²	45	44 Å²	44	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.3	179	-76.8	172.9	-174.7	173.4	0	112.9	Q205 K207 V257 E258 A259 A288	Q205-K261 HydrophobicContact CB-CB 4.12Å; Q205-K261 HydrophobicContact CG-CB 4.08Å; Q205-K261 HydrophobicContact CG-CD 3.96Å; Q205-K261 HydrophobicContact CG-CG 4.27Å; K207-K261 VanDerWaalsContact CD-O 3.25Å; K207-K261 WeakPolarHBondContact CD-O 3.39Å; K207-K261 PolarHBondContact NZ-O 2.78Å; V257-K261 WeakPolarHBondContact O-CG 3.37Å; V257-K261 PolarHBondContact O-N 3.04Å; V257-K261 VanDerWaalsContact O-N 3.14Å; E258-K261 WeakPolarHBondContact O-CB 3.39Å; E258-K261 PolarHBondContact O-N 3.45Å; E258-K261 WeakPolarHBondContact OE1-CE 3.43Å; E258-K261 IonicContact OE1-NZ 2.84Å; E258-K261 PolarHBondContact OE1-NZ 2.91Å; E258-K261 IonicContact OE2-NZ 3.82Å; E258-K261 PolarHBondContact OE2-NZ 2.73Å; A259-K261 PolarHBondContact O-N 3.3Å; K261-A288 HydrophobicContact CG-CB 4.17Å
262	H	98.1	Very high	95.3	Very high	66 Å²	66	38 Å²	38	31%	0.306	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-2.6	-175.8	-60.7	-58.6	0	0	0	115	P206 K207 T208 E209 E258 A259 L260	P206-H262 PolarHBondContact O-ND1 3.06Å; K207-H262 CarbonylContact C-O 3.5Å; K207-H262 VanDerWaalsContact CA-O 3.29Å; K207-H262 WeakPolarHBondContact CA-O 3.16Å; T208-H262 PolarHBondContact N-O 3.22Å; T208-H262 VanDerWaalsContact N-O 3.08Å; T208-H262 WeakPolarHBondContact OG1-CB 3.35Å; T208-H262 PolarHBondContact OG1-ND1 2.75Å; E209-H262 HydrophobicContact CG-CB 4Å; E209-H262 PolarHBondContact N-O 3.4Å; E209-H262 VanDerWaalsContact N-O 3.14Å; E258-H262 PolarHBondContact O-CD2 3.14Å; A259-H262 PolarHBondContact O-N 2.97Å; L260-H262 PolarHBondContact O-N 3.46Å
263	Y	98.6	Very high	96.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.008	20%	0.204	C	C	.	.			trans	-99.3	145.5	174.9	-70.4	-91.7	0	0	0	111.7	K207 E209 A211 A213 A214 D241 Y243 A259 L260 F265 S290	K207-Y263 VanDerWaalsContact CD-O 3.3Å; K207-Y263 WeakPolarHBondContact CD-O 3.24Å; K207-Y263 WeakPolarHBondContact CE-O 3.15Å; K207-Y263 PolarHBondContact NZ-O 3.1Å; E209-Y263 HydrophobicContact CB-CD1 3.77Å; E209-Y263 HydrophobicContact CB-CD2 4.35Å; E209-Y263 HydrophobicContact CB-CE1 3.62Å; E209-Y263 HydrophobicContact CB-CE2 4.21Å; E209-Y263 HydrophobicContact CB-CG 4.15Å; E209-Y263 HydrophobicContact CG-CD1 4.29Å; E209-Y263 HydrophobicContact CG-CD2 4.05Å; E209-Y263 HydrophobicContact CG-CE1 3.91Å; E209-Y263 HydrophobicContact CG-CE2 3.63Å; E209-Y263 HydrophobicContact CG-CG 4.36Å; A211-Y263 HydrophobicContact CB-CE1 4.01Å; A211-Y263 WeakPolarHBondContact O-CD1 3.49Å; A213-Y263 VanDerWaalsContact C-CD1 3.45Å; A214-Y263 HydrophobicContact CB-CD1 3.8Å; A214-Y263 HydrophobicContact CB-CD2 3.58Å; A214-Y263 HydrophobicContact CB-CE1 3.82Å; A214-Y263 HydrophobicContact CB-CE2 3.63Å; A214-Y263 HydrophobicContact CB-CG 3.67Å; D241-Y263 HydrophobicContact CB-CE1 4.08Å; D241-Y263 WeakPolarHBondContact CB-OH 3.31Å; D241-Y263 WeakPolarHBondContact OD2-CE1 3.48Å; D241-Y263 PolarHBondContact OD2-OH 2.87Å; Y243-Y263 HydrophobicContact CE2-CE2 4.38Å; Y243-Y263 PolarHBondContact OH-OH 3.02Å; A259-Y263 VanDerWaalsContact O-CD2 3.27Å; A259-Y263 WeakPolarHBondContact O-CD2 3.33Å; L260-Y263 PolarHBondContact O-N 2.77Å; L260-Y263 VanDerWaalsContact O-N 3.13Å; Y263-F265 WeakPolarHBondContact CB-O 3.44Å; Y263-S290 WeakPolarHBondContact O-CB 3.19Å; Y263-S290 PolarHBondContact O-OG 3.42Å
264	K	98.7	Very high	97.2	Very high	56 Å²	56	34.6 Å²	34.6	24%	0.243	17%	0.172	C	C	.	.	S	Bend	trans	-68	-39.5	174.8	-74.5	-175	177.9	176.9	0	111.5	K207 L212 V291 A330 Y336	K207-K264 HydrophobicContact CB-CG 3.84Å; K207-K264 HydrophobicContact CG-CG 3.99Å; L212-K264 PolarHBondContact O-N 2.99Å; K264-V291 PolarHBondContact O-N 2.88Å; K264-A330 HydrophobicContact CD-CB 4.2Å; K264-A330 PolarHBondContact NZ-O 3.32Å; K264-Y336 VanDerWaalsContact CA-OH 3.28Å; K264-Y336 WeakPolarHBondContact CA-OH 3.47Å; K264-Y336 HydrophobicContact CB-CE2 3.77Å; K264-Y336 HydrophobicContact CD-CE2 4.47Å; K264-Y336 HydrophobicContact CG-CE2 4.1Å; K264-Y336 WeakPolarHBondContact O-CE2 3.36Å; K264-Y336 PolarHBondContact O-OH 3.18Å
265	F	98.9	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	-177.9	-55	-80.8	0	0	0	111.6	L212 A213 A214 Y263 V291 V293 L311 M326 L329 A330 Y336	L212-F265 HydrophobicContact CB-CD2 4.17Å; L212-F265 WeakPolarHBondContact O-CD2 3.46Å; L212-F265 PolarHBondContact O-N 2.98Å; A213-F265 VanDerWaalsContact CA-O 3.24Å; A213-F265 WeakPolarHBondContact CA-O 3.24Å; A213-F265 HydrophobicContact CB-CB 3.71Å; A214-F265 PolarHBondContact N-O 3.21Å; Y263-F265 WeakPolarHBondContact CB-O 3.44Å; F265-V291 VanDerWaalsContact CA-O 3.28Å; F265-V291 WeakPolarHBondContact CA-O 3.33Å; F265-V291 HydrophobicContact CD1-CB 3.71Å; F265-V291 HydrophobicContact CD1-CG1 4.08Å; F265-V291 HydrophobicContact CE1-CB 4Å; F265-V291 HydrophobicContact CE1-CG1 4.2Å; F265-V291 HydrophobicContact CE1-CG2 4.48Å; F265-V293 HydrophobicContact CB-CG2 4.09Å; F265-V293 HydrophobicContact CD1-CG2 4.19Å; F265-V293 HydrophobicContact CG-CG2 4.44Å; F265-L311 HydrophobicContact CD1-CD1 4.27Å; F265-L311 HydrophobicContact CE1-CD1 4.02Å; F265-M326 HydrophobicContact CB-CE 3.94Å; F265-M326 HydrophobicContact CD1-CE 4.44Å; F265-M326 HydrophobicContact CD1-CG 4.25Å; F265-M326 HydrophobicContact CD2-CB 4.46Å; F265-M326 HydrophobicContact CD2-CE 3.83Å; F265-M326 HydrophobicContact CD2-CG 4.49Å; F265-M326 HydrophobicContact CE1-CB 4.46Å; F265-M326 HydrophobicContact CE1-CG 4.19Å; F265-M326 HydrophobicContact CE2-CB 4.05Å; F265-M326 HydrophobicContact CE2-CG 4.42Å; F265-M326 WeakPolarHBondContact CE2-O 3.29Å; F265-M326 HydrophobicContact CG-CE 3.81Å; F265-M326 HydrophobicContact CG-CG 4.44Å; F265-M326 HydrophobicContact CZ-CB 4.07Å; F265-M326 HydrophobicContact CZ-CG 4.29Å; F265-M326 WeakPolarHBondContact CZ-O 3.35Å; F265-L329 HydrophobicContact CE1-CB 4.42Å; F265-L329 HydrophobicContact CE1-CD1 4Å; F265-L329 HydrophobicContact CZ-CB 3.85Å; F265-L329 HydrophobicContact CZ-CD1 4.24Å; F265-A330 HydrophobicContact CE2-CB 4.47Å; F265-Y336 HydrophobicContact CZ-CE2 4.49Å
266	S	98.7	Very high	97.7	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.6	173.6	175.4	0	0	0	0	108.7	L260 A268 S285 V291 P292 V293	L260-S266 WeakPolarHBondContact CD2-OG 3.28Å; S266-A268 PolarHBondContact O-N 2.97Å; S266-S285 WeakPolarHBondContact CB-OG 3.41Å; S266-S285 PolarHBondContact OG-OG 2.76Å; S266-V291 PolarHBondContact N-O 3.25Å; S266-P292 CarbonylContact O-C 3.59Å; S266-P292 WeakPolarHBondContact O-CA 3.06Å; S266-V293 PolarHBondContact O-N 3.34Å
267	L	98.6	Very high	97.8	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	94.4	176.1	-55.2	-162.6	0	0	0	109.4	A213 A214 A215 L230 L233 I240 F269 V293	A213-L267 HydrophobicContact CB-CD2 4Å; A213-L267 HydrophobicContact CB-CG 4.33Å; A214-L267 PolarHBondContact O-N 3.22Å; A215-L267 HydrophobicContact CB-CB 3.95Å; A215-L267 HydrophobicContact CB-CD1 3.85Å; A215-L267 HydrophobicContact CB-CG 4.08Å; L230-L267 HydrophobicContact CD1-CD1 3.69Å; L233-L267 HydrophobicContact CD1-CD1 4.3Å; L233-L267 HydrophobicContact CD1-CD2 4.28Å; I240-L267 HydrophobicContact CD1-CD1 4.15Å; I240-L267 HydrophobicContact CG2-CD1 4.02Å; L267-F269 HydrophobicContact CB-CD1 4Å; L267-F269 HydrophobicContact CB-CD2 4.48Å; L267-F269 HydrophobicContact CB-CE1 3.95Å; L267-F269 HydrophobicContact CB-CE2 4.44Å; L267-F269 HydrophobicContact CB-CG 4.28Å; L267-F269 HydrophobicContact CB-CZ 4.19Å; L267-F269 HydrophobicContact CD1-CE1 4.4Å; L267-F269 HydrophobicContact CD1-CE2 3.93Å; L267-F269 HydrophobicContact CD1-CZ 3.83Å; L267-F269 HydrophobicContact CD2-CE1 4.31Å; L267-F269 HydrophobicContact CD2-CZ 4.32Å; L267-F269 HydrophobicContact CG-CE1 4.45Å; L267-F269 HydrophobicContact CG-CZ 4.35Å; L267-F269 PolarHBondContact O-N 3.06Å; L267-V293 CarbonylContact C-O 3.56Å; L267-V293 HydrophobicContact CD2-CB 3.63Å; L267-V293 HydrophobicContact CD2-CG1 4.11Å; L267-V293 HydrophobicContact CD2-CG2 3.95Å
268	A	98.4	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	63.4	177.7	0	0	0	0	0	110.3	S266 K281 P292 V293 V294	S266-A268 PolarHBondContact O-N 2.97Å; A268-K281 HydrophobicContact CB-CB 4.12Å; A268-P292 HydrophobicContact CB-CB 4.05Å; A268-V293 PolarHBondContact N-O 2.86Å; A268-V294 HydrophobicContact CB-CG2 4.29Å
269	F	98.2	Very high	97.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110	-174.2	-73.5	6.7	0	0	0	111.6	I217 R226 A229 L230 L233 L267 K281 V293 V295 I313	I217-F269 HydrophobicContact CD1-CD2 4.15Å; R226-F269 HydrophobicContact CB-CB 4.03Å; R226-F269 HydrophobicContact CB-CD2 3.89Å; R226-F269 HydrophobicContact CB-CG 4.22Å; R226-F269 PolarHBondContact NH1-O 3.27Å; R226-F269 WeakPolarHBondContact O-CD2 3.46Å; R226-F269 WeakPolarHBondContact O-CE2 3.43Å; A229-F269 HydrophobicContact CB-CE2 4.23Å; A229-F269 HydrophobicContact CB-CZ 4.36Å; L230-F269 HydrophobicContact CB-CE2 4.01Å; L233-F269 HydrophobicContact CD1-CZ 3.9Å; L267-F269 HydrophobicContact CB-CD1 4Å; L267-F269 HydrophobicContact CB-CD2 4.48Å; L267-F269 HydrophobicContact CB-CE1 3.95Å; L267-F269 HydrophobicContact CB-CE2 4.44Å; L267-F269 HydrophobicContact CB-CG 4.28Å; L267-F269 HydrophobicContact CB-CZ 4.19Å; L267-F269 HydrophobicContact CD1-CE1 4.4Å; L267-F269 HydrophobicContact CD1-CE2 3.93Å; L267-F269 HydrophobicContact CD1-CZ 3.83Å; L267-F269 HydrophobicContact CD2-CE1 4.31Å; L267-F269 HydrophobicContact CD2-CZ 4.32Å; L267-F269 HydrophobicContact CG-CE1 4.45Å; L267-F269 HydrophobicContact CG-CZ 4.35Å; L267-F269 PolarHBondContact O-N 3.06Å; F269-K281 VanDerWaalsContact O-CD 3.31Å; F269-K281 WeakPolarHBondContact O-CD 3.34Å; F269-V293 WeakPolarHBondContact CD1-O 3.38Å; F269-V293 HydrophobicContact CE1-CG1 4.24Å; F269-V293 WeakPolarHBondContact CE1-O 3.36Å; F269-V295 HydrophobicContact CB-CB 4.5Å; F269-V295 HydrophobicContact CD1-CB 3.85Å; F269-V295 HydrophobicContact CD1-CG2 3.81Å; F269-V295 HydrophobicContact CD2-CG2 4.45Å; F269-V295 HydrophobicContact CE1-CB 4.2Å; F269-V295 HydrophobicContact CE1-CG2 3.63Å; F269-V295 HydrophobicContact CE2-CG2 4.28Å; F269-V295 HydrophobicContact CG-CB 4.09Å; F269-V295 HydrophobicContact CG-CG2 4.22Å; F269-V295 HydrophobicContact CZ-CG2 3.87Å; F269-I313 HydrophobicContact CZ-CD1 4.29Å
270	E	97.7	Very high	98	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	11%	0.106	C	C	.	.			trans	-73.5	161.8	-179.6	-67.5	-62.3	173.7	0	0	113.3	N224 R226 T272 Y277 T279 K281 V295	N224-E270 PolarHBondContact ND2-O 3.33Å; R226-E270 WeakPolarHBondContact CD-O 3.43Å; R226-E270 VanDerWaalsContact NH1-C 3.26Å; R226-E270 PolarHBondContact NH1-O 3.16Å; R226-E270 VanDerWaalsContact NH1-O 3.09Å; E270-T272 VanDerWaalsContact C-N 3.27Å; E270-T272 WeakPolarHBondContact CB-O 3.5Å; E270-Y277 HydrophobicContact CB-CD1 4.38Å; E270-Y277 HydrophobicContact CG-CD1 4.47Å; E270-T279 WeakPolarHBondContact OE1-CA 3.24Å; E270-T279 VanDerWaalsContact OE1-CB 3.25Å; E270-T279 WeakPolarHBondContact OE1-CB 3.34Å; E270-T279 WeakPolarHBondContact OE1-CG2 3.33Å; E270-T279 PolarHBondContact OE1-N 3.41Å; E270-T279 PolarHBondContact OE1-OG1 2.84Å; E270-T279 VanDerWaalsContact OE2-CG2 3.23Å; E270-T279 WeakPolarHBondContact OE2-CG2 3.44Å; E270-T279 PolarHBondContact OE2-OG1 2.7Å; E270-K281 IonicContact OE2-NZ 2.65Å; E270-K281 PolarHBondContact OE2-NZ 3.37Å; E270-V295 PolarHBondContact N-O 3.29Å
271	N	95.8	Very high	98	Very high	30 Å²	30	23.5 Å²	23.5	16%	0.16	11%	0.111	C	C	.	.	S	Bend	trans	-74.9	-19.5	178.3	-65.8	-38.7	0	0	0	112.8	Y162 R226	Y162-N271 HydrophobicContact CE2-CB 3.88Å; Y162-N271 PolarHBondContact OH-O 2.8Å; Y162-N271 VanDerWaalsContact OH-O 3.11Å; R226-N271 PolarHBondContact NH1-OD1 2.89Å; R226-N271 PolarHBondContact NH2-OD1 3.22Å
272	T	96.4	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.			trans	-147.9	165.8	-177.1	66.4	0	0	0	0	109.3	S159 Q161 Y162 E270 Y277	S159-T272 WeakPolarHBondContact CB-OG1 3.25Å; S159-T272 WeakPolarHBondContact OG-CB 3.48Å; S159-T272 VanDerWaalsContact OG-CG2 3.28Å; S159-T272 WeakPolarHBondContact OG-CG2 3.24Å; S159-T272 PolarHBondContact OG-OG1 3.45Å; Q161-T272 HydrophobicContact CB-CG2 3.86Å; Q161-T272 HydrophobicContact CG-CG2 4.4Å; Q161-T272 VanDerWaalsContact OE1-CG2 3.3Å; Y162-T272 HydrophobicContact CD2-CG2 3.64Å; Y162-T272 HydrophobicContact CE2-CG2 3.26Å; E270-T272 VanDerWaalsContact C-N 3.27Å; E270-T272 WeakPolarHBondContact CB-O 3.5Å; T272-Y277 WeakPolarHBondContact OG1-CD1 3.45Å
273	N	97	Very high	98	Very high	53 Å²	53	18.3 Å²	18.3	28%	0.283	9%	0.088	S	C	.	.			trans	-110.7	38.1	178.4	-59.7	1.4	0	0	0	110.7	N224 F225 G296 P298	N224-N273 PolarHBondContact ND2-OD1 2.88Å; F225-N273 WeakPolarHBondContact CE1-ND2 3.43Å; N273-G296 VanDerWaalsContact CA-O 3.32Å; N273-G296 WeakPolarHBondContact CA-O 3.35Å; N273-G296 VanDerWaalsContact CB-O 3.28Å; N273-G296 WeakPolarHBondContact CB-O 3.47Å; N273-P298 WeakPolarHBondContact O-CD 3.36Å
274	E	96.7	Very high	98	Very high	46 Å²	46	20.1 Å²	20.1	22%	0.215	10%	0.097	C	C	.	.			trans	-77.6	144.6	-177.3	-175.2	172.7	-177.1	0	0	111	S159 A160 D276 Y277 A297	S159-E274 WeakPolarHBondContact CA-OE2 3.4Å; S159-E274 WeakPolarHBondContact CB-OE2 3.46Å; S159-E274 PolarHBondContact OG-OE2 2.94Å; A160-E274 VanDerWaalsContact CB-OE1 3.24Å; A160-E274 WeakPolarHBondContact CB-OE1 3.3Å; A160-E274 PolarHBondContact N-OE2 3.09Å; E274-D276 PolarHBondContact O-N 3.21Å; E274-Y277 WeakPolarHBondContact O-CB 3.17Å; E274-Y277 PolarHBondContact O-N 3.45Å; E274-Y277 VanDerWaalsContact O-N 3.14Å; E274-A297 WeakPolarHBondContact O-CA 3.47Å; E274-A297 VanDerWaalsContact O-CB 3.24Å; E274-A297 WeakPolarHBondContact O-CB 3.49Å
275	E	98	Very high	98	Very high	92 Å²	92	17.5 Å²	17.5	43%	0.43	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.7	175.6	-153.4	-169.7	52.9	0	0	110.5	Y277 R470	E275-Y277 PolarHBondContact O-N 2.94Å; E275-R470 IonicContact OE1-CZ 2.63Å; E275-R470 IonicContact OE1-NE 2.99Å; E275-R470 IonicContact OE1-NH2 3.19Å; E275-R470 PolarHBondContact OE1-NH2 3.32Å; E275-R470 IonicContact OE2-CZ 3.84Å; E275-R470 IonicContact OE2-NE 3.3Å; E275-R470 IonicContact OE2-NH2 2.76Å
276	D	98.4	Very high	98	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.011	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	0.9	-174.8	-52.2	-32.9	0	0	0	117.7	L184 E274 V278 N299 F303 R470	L184-D276 WeakPolarHBondContact CB-OD2 3.46Å; L184-D276 HydrophobicContact CG-CB 4.25Å; L184-D276 PolarHBondContact N-OD2 2.9Å; E274-D276 PolarHBondContact O-N 3.21Å; D276-V278 PolarHBondContact O-N 3.36Å; D276-N299 PolarHBondContact N-OD1 3.49Å; D276-N299 PolarHBondContact OD1-ND2 3.32Å; D276-F303 HydrophobicContact CB-CE2 4.39Å; D276-F303 HydrophobicContact CB-CZ 3.77Å; D276-F303 WeakPolarHBondContact OD1-CZ 3.5Å; D276-R470 IonicContact OD1-CZ 3.15Å; D276-R470 IonicContact OD1-NH1 2.94Å; D276-R470 PolarHBondContact OD1-NH1 2.78Å; D276-R470 IonicContact OD1-NH2 2.99Å; D276-R470 PolarHBondContact OD1-NH2 3.31Å; D276-R470 IonicContact OD2-CZ 2.62Å; D276-R470 IonicContact OD2-NH1 3.68Å; D276-R470 IonicContact OD2-NH2 3.93Å; D276-R470 PolarHBondContact OD2-NH2 3.4Å
277	Y	98.3	Very high	98	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.02	9%	0.089	C	C	.	.			trans	-77.5	79.1	175.8	-167.8	-98	0	0	0	109.7	M157 T182 E270 T272 E274 E275 T279	M157-Y277 WeakPolarHBondContact O-CE2 3.35Å; T182-Y277 HydrophobicContact CG2-CD2 4.08Å; T182-Y277 HydrophobicContact CG2-CE2 4.29Å; T182-Y277 WeakPolarHBondContact OG1-CD2 3.31Å; E270-Y277 HydrophobicContact CB-CD1 4.38Å; E270-Y277 HydrophobicContact CG-CD1 4.47Å; T272-Y277 WeakPolarHBondContact OG1-CD1 3.45Å; E274-Y277 WeakPolarHBondContact O-CB 3.17Å; E274-Y277 PolarHBondContact O-N 3.45Å; E274-Y277 VanDerWaalsContact O-N 3.14Å; E275-Y277 PolarHBondContact O-N 2.94Å; Y277-T279 HydrophobicContact CD1-CG2 4.05Å; Y277-T279 HydrophobicContact CE1-CG2 3.5Å; Y277-T279 HydrophobicContact CE2-CG2 4.15Å
278	V	98.5	Very high	97.9	Very high	4 Å²	4	18 Å²	18	2%	0.024	9%	0.088	C	C	.	.			trans	-118.5	113.4	178	-175.8	0	0	0	0	108.1	D276 F282 F283 A297 I300 F303	D276-V278 PolarHBondContact O-N 3.36Å; V278-F282 HydrophobicContact CG1-CB 3.55Å; V278-F282 HydrophobicContact CG1-CD1 3.8Å; V278-F282 HydrophobicContact CG1-CG 3.8Å; V278-F283 HydrophobicContact CB-CE2 4.41Å; V278-F283 HydrophobicContact CG1-CE2 3.79Å; V278-F283 HydrophobicContact CG1-CZ 3.93Å; V278-A297 HydrophobicContact CG2-CB 3.87Å; V278-I300 HydrophobicContact CG1-CD1 3.89Å; V278-I300 HydrophobicContact CG2-CD1 3.74Å; V278-F303 HydrophobicContact CB-CD1 3.81Å; V278-F303 HydrophobicContact CB-CE1 4.12Å; V278-F303 HydrophobicContact CB-CG 4.11Å; V278-F303 HydrophobicContact CG1-CB 4.29Å; V278-F303 HydrophobicContact CG1-CD1 4.16Å; V278-F303 HydrophobicContact CG1-CG 4.29Å; V278-F303 HydrophobicContact CG2-CB 4.28Å; V278-F303 HydrophobicContact CG2-CD1 3.8Å; V278-F303 HydrophobicContact CG2-CD2 3.73Å; V278-F303 HydrophobicContact CG2-CE1 4.06Å; V278-F303 HydrophobicContact CG2-CE2 4Å; V278-F303 HydrophobicContact CG2-CG 3.65Å; V278-F303 HydrophobicContact CG2-CZ 4.17Å
279	T	98.2	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.			trans	-105	-170.5	-169	74.6	0	0	0	0	112.6	Y192 E270 Y277 K281 F282 F283	Y192-T279 HydrophobicContact CD2-CG2 3.91Å; Y192-T279 HydrophobicContact CE2-CG2 3.73Å; E270-T279 WeakPolarHBondContact OE1-CA 3.24Å; E270-T279 VanDerWaalsContact OE1-CB 3.25Å; E270-T279 WeakPolarHBondContact OE1-CB 3.34Å; E270-T279 WeakPolarHBondContact OE1-CG2 3.33Å; E270-T279 PolarHBondContact OE1-N 3.41Å; E270-T279 PolarHBondContact OE1-OG1 2.84Å; E270-T279 VanDerWaalsContact OE2-CG2 3.23Å; E270-T279 WeakPolarHBondContact OE2-CG2 3.44Å; E270-T279 PolarHBondContact OE2-OG1 2.7Å; Y277-T279 HydrophobicContact CD1-CG2 4.05Å; Y277-T279 HydrophobicContact CE1-CG2 3.5Å; Y277-T279 HydrophobicContact CE2-CG2 4.15Å; T279-K281 PolarHBondContact O-N 3.3Å; T279-K281 PolarHBondContact OG1-N 3.38Å; T279-K281 PolarHBondContact OG1-NZ 3.21Å; T279-F282 PolarHBondContact O-N 2.62Å; T279-F283 VanDerWaalsContact O-CD2 3.24Å; T279-F283 WeakPolarHBondContact O-CD2 3.11Å
280	E	97.9	Very high	97.9	Very high	47 Å²	47	17.9 Å²	17.9	22%	0.22	9%	0.088	C	C	.	.	H	α-helix	trans	-53.9	-25.8	174.5	79.7	-65.3	155.4	0	0	112.5	Y198 F282 F283 Q284	Y198-E280 HydrophobicContact CE1-CB 4.36Å; Y198-E280 WeakPolarHBondContact OH-CB 3.32Å; E280-F282 VanDerWaalsContact C-N 3.3Å; E280-F282 PolarHBondContact O-N 3.15Å; E280-F283 PolarHBondContact O-N 2.9Å; E280-Q284 HydrophobicContact CB-CG 4.28Å; E280-Q284 WeakPolarHBondContact O-CA 3.38Å; E280-Q284 WeakPolarHBondContact O-CB 3.43Å; E280-Q284 WeakPolarHBondContact O-CG 3.39Å; E280-Q284 PolarHBondContact O-N 2.99Å
281	K	98.2	Very high	98	Very high	26 Å²	26	17.7 Å²	17.7	11%	0.113	9%	0.087	C	C	.	.	H	α-helix	trans	-58.3	-43.1	179.9	-67.2	168.4	-153.6	60.7	0	111.8	A268 F269 E270 T279 S285	A268-K281 HydrophobicContact CB-CB 4.12Å; F269-K281 VanDerWaalsContact O-CD 3.31Å; F269-K281 WeakPolarHBondContact O-CD 3.34Å; E270-K281 IonicContact OE2-NZ 2.65Å; E270-K281 PolarHBondContact OE2-NZ 3.37Å; T279-K281 PolarHBondContact O-N 3.3Å; T279-K281 PolarHBondContact OG1-N 3.38Å; T279-K281 PolarHBondContact OG1-NZ 3.21Å; K281-S285 PolarHBondContact O-N 3.04Å; K281-S285 PolarHBondContact O-OG 2.98Å
282	F	98.7	Very high	98.1	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	8%	0.08	C	C	.	.	H	α-helix	trans	-73	-53	178.2	-175	-101	0	0	0	110.8	V278 T279 E280 Q284 S285 L286 P292 V294 I300 F303 A304 F310	V278-F282 HydrophobicContact CG1-CB 3.55Å; V278-F282 HydrophobicContact CG1-CD1 3.8Å; V278-F282 HydrophobicContact CG1-CG 3.8Å; T279-F282 PolarHBondContact O-N 2.62Å; E280-F282 VanDerWaalsContact C-N 3.3Å; E280-F282 PolarHBondContact O-N 3.15Å; F282-Q284 PolarHBondContact O-N 2.81Å; F282-S285 VanDerWaalsContact O-CB 3.25Å; F282-S285 WeakPolarHBondContact O-CB 3.37Å; F282-S285 PolarHBondContact O-N 3.07Å; F282-L286 HydrophobicContact CD1-CD1 4.13Å; F282-L286 HydrophobicContact CD1-CG 4.45Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CD2 4.46Å; F282-L286 HydrophobicContact CE1-CG 4.19Å; F282-L286 HydrophobicContact CZ-CD1 4.34Å; F282-L286 HydrophobicContact CZ-CD2 4.38Å; F282-L286 PolarHBondContact O-N 3.34Å; F282-P292 HydrophobicContact CD2-CB 3.82Å; F282-P292 HydrophobicContact CD2-CG 3.85Å; F282-P292 HydrophobicContact CE2-CB 3.93Å; F282-P292 HydrophobicContact CE2-CG 3.48Å; F282-P292 VanDerWaalsContact CE2-CG 3.48Å; F282-P292 HydrophobicContact CZ-CG 4.21Å; F282-V294 HydrophobicContact CD2-CG2 3.75Å; F282-V294 HydrophobicContact CE2-CG2 3.97Å; F282-I300 HydrophobicContact CD1-CD1 4.46Å; F282-I300 HydrophobicContact CD2-CD1 3.76Å; F282-I300 HydrophobicContact CD2-CG1 4.35Å; F282-I300 HydrophobicContact CE1-CD1 4.49Å; F282-I300 HydrophobicContact CE2-CD1 3.8Å; F282-I300 HydrophobicContact CE2-CG1 4.01Å; F282-I300 HydrophobicContact CG-CD1 4.1Å; F282-I300 HydrophobicContact CZ-CD1 4.18Å; F282-I300 HydrophobicContact CZ-CG1 4.49Å; F282-F303 HydrophobicContact CE1-CB 4.38Å; F282-F303 VanDerWaalsContact CE1-O 3.31Å; F282-F303 WeakPolarHBondContact CE1-O 3.4Å; F282-A304 HydrophobicContact CZ-CB 4.29Å; F282-F310 HydrophobicContact CE2-CB 4.13Å
283	F	98.5	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-36.8	-175.6	-60.5	-68.1	0	0	0	113.3	Y192 F193 Y198 I200 V278 T279 E280 S285 L286 V287 F303 I355	Y192-F283 VanDerWaalsContact O-CD2 3.24Å; Y192-F283 WeakPolarHBondContact O-CD2 3.2Å; F193-F283 HydrophobicContact CB-CD1 4.14Å; F193-F283 HydrophobicContact CB-CD2 4.14Å; F193-F283 HydrophobicContact CB-CE1 3.72Å; F193-F283 HydrophobicContact CB-CE2 3.73Å; F193-F283 HydrophobicContact CB-CG 4.35Å; F193-F283 HydrophobicContact CB-CZ 3.53Å; F193-F283 AromaticContact CD1-CE2 4Å; F193-F283 HydrophobicContact CD1-CE2 4Å; F193-F283 AromaticContact CD1-CZ 3.74Å; F193-F283 HydrophobicContact CD1-CZ 3.74Å; F193-F283 HydrophobicContact CG-CE2 4.37Å; F193-F283 HydrophobicContact CG-CZ 4.04Å; Y198-F283 HydrophobicContact CD1-CB 3.72Å; Y198-F283 HydrophobicContact CD2-CB 4.42Å; Y198-F283 HydrophobicContact CE1-CB 3.78Å; Y198-F283 HydrophobicContact CG-CB 4.04Å; I200-F283 HydrophobicContact CD1-CD1 4.28Å; V278-F283 HydrophobicContact CB-CE2 4.41Å; V278-F283 HydrophobicContact CG1-CE2 3.79Å; V278-F283 HydrophobicContact CG1-CZ 3.93Å; T279-F283 VanDerWaalsContact O-CD2 3.24Å; T279-F283 WeakPolarHBondContact O-CD2 3.11Å; E280-F283 PolarHBondContact O-N 2.9Å; F283-S285 VanDerWaalsContact C-N 3.27Å; F283-S285 PolarHBondContact O-N 3.44Å; F283-L286 HydrophobicContact CD1-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CB 3.47Å; F283-L286 PolarHBondContact O-N 2.85Å; F283-L286 VanDerWaalsContact O-N 3.16Å; F283-V287 WeakPolarHBondContact O-CG2 3.14Å; F283-V287 PolarHBondContact O-N 2.03Å; F283-F303 HydrophobicContact CZ-CD1 4.22Å; F283-I355 HydrophobicContact CE1-CD1 3.9Å
284	Q	98.3	Very high	98.4	Very high	40 Å²	40	14 Å²	14	19%	0.187	7%	0.067	C	C	.	.	H	α-helix	trans	-64.7	-31.4	173	-71.6	175.4	-11.1	0	0	112.5	Y198 V257 E280 F282 L286 V287 A288	Y198-Q284 HydrophobicContact CD1-CG 4.43Å; Y198-Q284 HydrophobicContact CE1-CG 4Å; V257-Q284 HydrophobicContact CG2-CB 4.04Å; V257-Q284 HydrophobicContact CG2-CG 3.86Å; E280-Q284 HydrophobicContact CB-CG 4.28Å; E280-Q284 WeakPolarHBondContact O-CA 3.38Å; E280-Q284 WeakPolarHBondContact O-CB 3.43Å; E280-Q284 WeakPolarHBondContact O-CG 3.39Å; E280-Q284 PolarHBondContact O-N 2.99Å; F282-Q284 PolarHBondContact O-N 2.81Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; Q284-V287 PolarHBondContact O-N 3.14Å; Q284-A288 WeakPolarHBondContact O-CB 3.23Å; Q284-A288 PolarHBondContact O-N 3.08Å
285	S	98.6	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.1	-42.4	173.1	-56.8	0	0	0	0	110.8	S266 K281 F282 F283 A288 G289 S290	S266-S285 WeakPolarHBondContact CB-OG 3.41Å; S266-S285 PolarHBondContact OG-OG 2.76Å; K281-S285 PolarHBondContact O-N 3.04Å; K281-S285 PolarHBondContact O-OG 2.98Å; F282-S285 VanDerWaalsContact O-CB 3.25Å; F282-S285 WeakPolarHBondContact O-CB 3.37Å; F282-S285 PolarHBondContact O-N 3.07Å; F283-S285 VanDerWaalsContact C-N 3.27Å; F283-S285 PolarHBondContact O-N 3.44Å; S285-A288 PolarHBondContact O-N 3.11Å; S285-G289 PolarHBondContact O-N 2.91Å; S285-S290 CarbonylContact C-O 3.59Å; S285-S290 PolarHBondContact O-N 3.49Å
286	L	98.6	Very high	98.5	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-63.5	-45.2	174.5	-57.3	-175.2	0	0	0	111.9	I200 F282 F283 Q284 A288 G289 P292 P305 W342 K343 F351	I200-L286 HydrophobicContact CG2-CB 4.3Å; F282-L286 HydrophobicContact CD1-CD1 4.13Å; F282-L286 HydrophobicContact CD1-CG 4.45Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CD2 4.46Å; F282-L286 HydrophobicContact CE1-CG 4.19Å; F282-L286 HydrophobicContact CZ-CD1 4.34Å; F282-L286 HydrophobicContact CZ-CD2 4.38Å; F282-L286 PolarHBondContact O-N 3.34Å; F283-L286 HydrophobicContact CD1-CD1 4.3Å; F283-L286 WeakPolarHBondContact O-CB 3.47Å; F283-L286 PolarHBondContact O-N 2.85Å; F283-L286 VanDerWaalsContact O-N 3.16Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 3.19Å; L286-G289 PolarHBondContact O-N 3.28Å; L286-P292 HydrophobicContact CD2-CG 4.03Å; L286-P305 HydrophobicContact CD1-CG 4.13Å; L286-P305 HydrophobicContact CD2-CG 4.08Å; L286-W342 HydrophobicContact CB-CH2 3.98Å; L286-W342 HydrophobicContact CB-CZ2 4.22Å; L286-W342 HydrophobicContact CD2-CH2 4.41Å; L286-W342 HydrophobicContact CD2-CZ2 3.89Å; L286-K343 WeakPolarHBondContact O-CE 3.33Å; L286-K343 PolarHBondContact O-NZ 3.34Å; L286-F351 HydrophobicContact CD1-CE2 4.13Å; L286-F351 HydrophobicContact CD1-CZ 4.1Å
287	V	98.1	Very high	98.4	Very high	19 Å²	19	7.5 Å²	7.5	12%	0.115	4%	0.038	C	C	.	.	H	α-helix	trans	-54.9	-49.7	174.6	172.5	0	0	0	0	110.5	Y198 I200 V257 F283 Q284 G289 K343	Y198-V287 HydrophobicContact CD1-CG2 4.03Å; Y198-V287 HydrophobicContact CG-CG2 4.36Å; I200-V287 HydrophobicContact CG1-CG2 4.09Å; V257-V287 HydrophobicContact CG1-CG1 3.9Å; F283-V287 WeakPolarHBondContact O-CG2 3.14Å; F283-V287 PolarHBondContact O-N 2.03Å; Q284-V287 PolarHBondContact O-N 3.14Å; V287-G289 PolarHBondContact O-N 3.27Å; V287-K343 PolarHBondContact O-NZ 2.95Å
288	A	98.3	Very high	98.4	Very high	2 Å²	2	9.8 Å²	9.8	2%	0.017	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.1	178.2	0	0	0	0	0	114.4	K207 L260 K261 Q284 S285 L286 S290	K207-A288 PolarHBondContact NZ-O 2.96Å; K207-A288 VanDerWaalsContact NZ-O 3.11Å; L260-A288 HydrophobicContact CB-CB 3.59Å; K261-A288 HydrophobicContact CG-CB 4.17Å; Q284-A288 WeakPolarHBondContact O-CB 3.23Å; Q284-A288 PolarHBondContact O-N 3.08Å; S285-A288 PolarHBondContact O-N 3.11Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 3.19Å; A288-S290 PolarHBondContact O-N 2.97Å; A288-S290 PolarHBondContact O-OG 3.39Å
289	G	98.2	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	33.6	-174.1	0	0	0	0	0	111.6	K207 S285 L286 V287 L340	K207-G289 WeakPolarHBondContact CE-O 3.38Å; K207-G289 PolarHBondContact NZ-O 3.35Å; S285-G289 PolarHBondContact O-N 2.91Å; L286-G289 PolarHBondContact O-N 3.28Å; V287-G289 PolarHBondContact O-N 3.27Å; G289-L340 VanDerWaalsContact O-CD1 3.28Å; G289-L340 WeakPolarHBondContact O-CD1 3.46Å
290	S	98.6	Very high	98.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.056	C	C	.	.			trans	-113	135.4	-179.3	-56.4	0	0	0	0	107.6	K207 L260 Y263 S285 A288 P292	K207-S290 PolarHBondContact NZ-OG 3.29Å; L260-S290 PolarHBondContact O-OG 3.13Å; Y263-S290 WeakPolarHBondContact O-CB 3.19Å; Y263-S290 PolarHBondContact O-OG 3.42Å; S285-S290 CarbonylContact C-O 3.59Å; S285-S290 PolarHBondContact O-N 3.49Å; A288-S290 PolarHBondContact O-N 2.97Å; A288-S290 PolarHBondContact O-OG 3.39Å; S290-P292 WeakPolarHBondContact O-CD 3.43Å
291	V	98.8	Very high	98.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114.5	-175.3	178.7	0	0	0	0	108.7	K264 F265 S266 V293 L311 Y336 T339 L340	K264-V291 PolarHBondContact O-N 2.88Å; F265-V291 VanDerWaalsContact CA-O 3.28Å; F265-V291 WeakPolarHBondContact CA-O 3.33Å; F265-V291 HydrophobicContact CD1-CB 3.71Å; F265-V291 HydrophobicContact CD1-CG1 4.08Å; F265-V291 HydrophobicContact CE1-CB 4Å; F265-V291 HydrophobicContact CE1-CG1 4.2Å; F265-V291 HydrophobicContact CE1-CG2 4.48Å; S266-V291 PolarHBondContact N-O 3.25Å; V291-V293 PolarHBondContact O-N 2.62Å; V291-L311 HydrophobicContact CG1-CG 4.33Å; V291-Y336 HydrophobicContact CG2-CD2 4.44Å; V291-Y336 HydrophobicContact CG2-CE2 3.77Å; V291-T339 WeakPolarHBondContact CG2-OG1 3.03Å; V291-L340 HydrophobicContact CG2-CD2 4.3Å
292	P	98.9	Very high	98.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.3	177.5	23.2	-31.1	0	0	0	111	S266 A268 F282 L286 S290 V294 S309 F310 L311	S266-P292 CarbonylContact O-C 3.59Å; S266-P292 WeakPolarHBondContact O-CA 3.06Å; A268-P292 HydrophobicContact CB-CB 4.05Å; F282-P292 HydrophobicContact CD2-CB 3.82Å; F282-P292 HydrophobicContact CD2-CG 3.85Å; F282-P292 HydrophobicContact CE2-CB 3.93Å; F282-P292 HydrophobicContact CE2-CG 3.48Å; F282-P292 VanDerWaalsContact CE2-CG 3.48Å; F282-P292 HydrophobicContact CZ-CG 4.21Å; L286-P292 HydrophobicContact CD2-CG 4.03Å; S290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-V294 HydrophobicContact CB-CG2 4.09Å; P292-S309 WeakPolarHBondContact CD-O 3.36Å; P292-F310 HydrophobicContact CG-CB 3.73Å; P292-F310 CarbonylContact O-C 3.49Å; P292-F310 WeakPolarHBondContact O-CA 2.98Å; P292-L311 PolarHBondContact O-N 2.72Å
293	V	98.9	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.9	164.8	-173.9	0	0	0	0	106.9	F265 S266 L267 A268 F269 V291 L311 I313 V322 M326	F265-V293 HydrophobicContact CB-CG2 4.09Å; F265-V293 HydrophobicContact CD1-CG2 4.19Å; F265-V293 HydrophobicContact CG-CG2 4.44Å; S266-V293 PolarHBondContact O-N 3.34Å; L267-V293 CarbonylContact C-O 3.56Å; L267-V293 HydrophobicContact CD2-CB 3.63Å; L267-V293 HydrophobicContact CD2-CG1 4.11Å; L267-V293 HydrophobicContact CD2-CG2 3.95Å; A268-V293 PolarHBondContact N-O 2.86Å; F269-V293 WeakPolarHBondContact CD1-O 3.38Å; F269-V293 HydrophobicContact CE1-CG1 4.24Å; F269-V293 WeakPolarHBondContact CE1-O 3.36Å; V291-V293 PolarHBondContact O-N 2.62Å; V293-L311 CarbonylContact C-O 3.51Å; V293-L311 VanDerWaalsContact CA-O 3.3Å; V293-L311 WeakPolarHBondContact CA-O 3.08Å; V293-L311 HydrophobicContact CG1-CB 4.42Å; V293-L311 HydrophobicContact CG2-CB 4.32Å; V293-L311 HydrophobicContact CG2-CD1 4.26Å; V293-I313 HydrophobicContact CG1-CD1 3.85Å; V293-I313 HydrophobicContact CG1-CG1 4.25Å; V293-V322 HydrophobicContact CG1-CG1 3.85Å; V293-M326 HydrophobicContact CG2-CE 4.1Å; V293-M326 HydrophobicContact CG2-CG 4.47Å; V293-M326 HydrophobicContact CG2-SD 4.07Å
294	V	98.8	Very high	98.4	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.024	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.6	-164.9	-176.4	0	0	0	0	110.8	A268 F282 P292 I300 F310 L311 I313	A268-V294 HydrophobicContact CB-CG2 4.29Å; F282-V294 HydrophobicContact CD2-CG2 3.75Å; F282-V294 HydrophobicContact CE2-CG2 3.97Å; P292-V294 HydrophobicContact CB-CG2 4.09Å; V294-I300 HydrophobicContact CB-CG1 4.39Å; V294-I300 HydrophobicContact CG1-CD1 4.3Å; V294-I300 HydrophobicContact CG1-CG1 4.03Å; V294-I300 HydrophobicContact CG2-CG1 4.12Å; V294-F310 HydrophobicContact CG2-CD2 4.46Å; V294-L311 PolarHBondContact N-O 2.93Å; V294-I313 PolarHBondContact O-N 3.47Å
295	V	98.6	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.5	156.5	171.8	0	0	0	0	104.5	F225 R226 A229 F269 E270 I313	F225-V295 HydrophobicContact CD2-CG1 4.23Å; F225-V295 HydrophobicContact CE1-CG1 4.31Å; F225-V295 HydrophobicContact CE2-CG1 3.76Å; F225-V295 HydrophobicContact CE2-CG2 4.01Å; F225-V295 HydrophobicContact CZ-CG1 3.79Å; R226-V295 HydrophobicContact CB-CB 4.33Å; R226-V295 HydrophobicContact CB-CG1 3.95Å; A229-V295 HydrophobicContact CB-CG2 3.93Å; F269-V295 HydrophobicContact CB-CB 4.5Å; F269-V295 HydrophobicContact CD1-CB 3.85Å; F269-V295 HydrophobicContact CD1-CG2 3.81Å; F269-V295 HydrophobicContact CD2-CG2 4.45Å; F269-V295 HydrophobicContact CE1-CB 4.2Å; F269-V295 HydrophobicContact CE1-CG2 3.63Å; F269-V295 HydrophobicContact CE2-CG2 4.28Å; F269-V295 HydrophobicContact CG-CB 4.09Å; F269-V295 HydrophobicContact CG-CG2 4.22Å; F269-V295 HydrophobicContact CZ-CG2 3.87Å; E270-V295 PolarHBondContact N-O 3.29Å; V295-I313 HydrophobicContact CG2-CB 3.86Å; V295-I313 HydrophobicContact CG2-CD1 4.43Å; V295-I313 HydrophobicContact CG2-CG2 4.23Å
296	G	98.1	Very high	98.4	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	8%	0.077	C	C	.	.	S	Bend	trans	174.5	-137.5	-171	0	0	0	0	0	112.8	N273	N273-G296 VanDerWaalsContact CA-O 3.32Å; N273-G296 WeakPolarHBondContact CA-O 3.35Å; N273-G296 VanDerWaalsContact CB-O 3.28Å; N273-G296 WeakPolarHBondContact CB-O 3.47Å
297	A	97.9	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	11%	0.111	C	C	.	.			trans	-53.5	131.4	-176.8	0	0	0	0	0	112.1	E274 V278 N299 I300	E274-A297 WeakPolarHBondContact O-CA 3.47Å; E274-A297 VanDerWaalsContact O-CB 3.24Å; E274-A297 WeakPolarHBondContact O-CB 3.49Å; V278-A297 HydrophobicContact CG2-CB 3.87Å; A297-N299 PolarHBondContact O-N 3.23Å; A297-I300 WeakPolarHBondContact O-CB 3.41Å; A297-I300 PolarHBondContact O-N 3.14Å
298	P	97.9	Very high	98.3	Very high	53 Å²	53	22.7 Å²	22.7	34%	0.344	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.9	-176.7	26.9	-35.7	0	0	0	113.6	N273	N273-P298 WeakPolarHBondContact O-CD 3.36Å
299	N	98.1	Very high	98.3	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	26.4	-179.4	65.6	-45.5	0	0	0	112.7	D276 A297 E301 E302 R470	D276-N299 PolarHBondContact N-OD1 3.49Å; D276-N299 PolarHBondContact OD1-ND2 3.32Å; A297-N299 PolarHBondContact O-N 3.23Å; N299-E301 WeakPolarHBondContact CA-OE2 3.23Å; N299-E301 PolarHBondContact O-N 3.05Å; N299-E302 HydrophobicContact CB-CG 4.4Å; N299-E302 PolarHBondContact ND2-OE2 2.82Å; N299-E302 WeakPolarHBondContact O-CB 3.27Å; N299-E302 PolarHBondContact O-N 3.23Å; N299-R470 PolarHBondContact ND2-NH1 2.85Å
300	I	98.5	Very high	98.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-55	-25.5	-176.5	-177.1	66.7	0	0	0	113.8	V278 F282 V294 A297 E302 F303 A304 F310 H312	V278-I300 HydrophobicContact CG1-CD1 3.89Å; V278-I300 HydrophobicContact CG2-CD1 3.74Å; F282-I300 HydrophobicContact CD1-CD1 4.46Å; F282-I300 HydrophobicContact CD2-CD1 3.76Å; F282-I300 HydrophobicContact CD2-CG1 4.35Å; F282-I300 HydrophobicContact CE1-CD1 4.49Å; F282-I300 HydrophobicContact CE2-CD1 3.8Å; F282-I300 HydrophobicContact CE2-CG1 4.01Å; F282-I300 HydrophobicContact CG-CD1 4.1Å; F282-I300 HydrophobicContact CZ-CD1 4.18Å; F282-I300 HydrophobicContact CZ-CG1 4.49Å; V294-I300 HydrophobicContact CB-CG1 4.39Å; V294-I300 HydrophobicContact CG1-CD1 4.3Å; V294-I300 HydrophobicContact CG1-CG1 4.03Å; V294-I300 HydrophobicContact CG2-CG1 4.12Å; A297-I300 WeakPolarHBondContact O-CB 3.41Å; A297-I300 PolarHBondContact O-N 3.14Å; I300-E302 PolarHBondContact O-N 2.04Å; I300-F303 HydrophobicContact CD1-CB 4.25Å; I300-F303 PolarHBondContact O-N 2.99Å; I300-A304 PolarHBondContact O-N 3.29Å; I300-F310 HydrophobicContact CB-CE2 4.36Å; I300-F310 HydrophobicContact CG1-CD2 4.22Å; I300-F310 HydrophobicContact CG1-CE2 4.17Å; I300-F310 HydrophobicContact CG2-CD2 4.16Å; I300-F310 HydrophobicContact CG2-CE2 3.41Å; I300-F310 VanDerWaalsContact CG2-CE2 3.41Å; I300-F310 HydrophobicContact CG2-CZ 4.1Å; I300-H312 HydrophobicContact CG2-CB 4.37Å; I300-H312 WeakPolarHBondContact CG2-ND1 3.35Å
301	E	98.2	Very high	98.3	Very high	109 Å²	109	24.7 Å²	24.7	51%	0.509	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-56.7	-29.2	173.6	62.7	-86.7	-155.3	0	0	113.2	N299 F303 A304 F310	N299-E301 WeakPolarHBondContact CA-OE2 3.23Å; N299-E301 PolarHBondContact O-N 3.05Å; E301-F303 PolarHBondContact O-N 2.83Å; E301-A304 PolarHBondContact O-N 3.05Å; E301-F310 HydrophobicContact CB-CE1 4.38Å; E301-F310 HydrophobicContact CB-CZ 3.92Å
302	E	98.1	Very high	98.3	Very high	49 Å²	49	26.7 Å²	26.7	23%	0.229	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-71.4	-19.5	177.6	-65.2	180	170.8	0	0	112.7	N299 I300 R470 Y474	N299-E302 HydrophobicContact CB-CG 4.4Å; N299-E302 PolarHBondContact ND2-OE2 2.82Å; N299-E302 WeakPolarHBondContact O-CB 3.27Å; N299-E302 PolarHBondContact O-N 3.23Å; I300-E302 PolarHBondContact O-N 2.04Å; E302-R470 IonicContact OE2-CZ 3.87Å; E302-R470 IonicContact OE2-NH1 3.71Å; E302-R470 PolarHBondContact OE2-NH1 2.84Å; E302-Y474 HydrophobicContact CB-CD1 4.2Å; E302-Y474 HydrophobicContact CB-CE1 3.62Å; E302-Y474 HydrophobicContact CB-CE2 4.47Å; E302-Y474 HydrophobicContact CG-CD1 3.88Å; E302-Y474 HydrophobicContact CG-CE1 3.81Å; E302-Y474 HydrophobicContact CG-CG 4.46Å; E302-Y474 PolarHBondContact O-OH 3.02Å
303	F	98.6	Very high	98.3	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-102.1	-5.4	-179.9	-65.4	-101.2	0	0	0	112.4	L184 F193 D276 V278 F282 F283 I300 E301 F351 L354	L184-F303 HydrophobicContact CD1-CZ 3.98Å; L184-F303 HydrophobicContact CG-CZ 4.42Å; F193-F303 HydrophobicContact CE1-CE1 4.09Å; D276-F303 HydrophobicContact CB-CE2 4.39Å; D276-F303 HydrophobicContact CB-CZ 3.77Å; D276-F303 WeakPolarHBondContact OD1-CZ 3.5Å; V278-F303 HydrophobicContact CB-CD1 3.81Å; V278-F303 HydrophobicContact CB-CE1 4.12Å; V278-F303 HydrophobicContact CB-CG 4.11Å; V278-F303 HydrophobicContact CG1-CB 4.29Å; V278-F303 HydrophobicContact CG1-CD1 4.16Å; V278-F303 HydrophobicContact CG1-CG 4.29Å; V278-F303 HydrophobicContact CG2-CB 4.28Å; V278-F303 HydrophobicContact CG2-CD1 3.8Å; V278-F303 HydrophobicContact CG2-CD2 3.73Å; V278-F303 HydrophobicContact CG2-CE1 4.06Å; V278-F303 HydrophobicContact CG2-CE2 4Å; V278-F303 HydrophobicContact CG2-CG 3.65Å; V278-F303 HydrophobicContact CG2-CZ 4.17Å; F282-F303 HydrophobicContact CE1-CB 4.38Å; F282-F303 VanDerWaalsContact CE1-O 3.31Å; F282-F303 WeakPolarHBondContact CE1-O 3.4Å; F283-F303 HydrophobicContact CZ-CD1 4.22Å; I300-F303 HydrophobicContact CD1-CB 4.25Å; I300-F303 PolarHBondContact O-N 2.99Å; E301-F303 PolarHBondContact O-N 2.83Å; F303-F351 VanDerWaalsContact O-CD2 3.23Å; F303-F351 WeakPolarHBondContact O-CD2 3.43Å; F303-F351 WeakPolarHBondContact O-CE2 3.34Å; F303-L354 HydrophobicContact CB-CD2 4.27Å; F303-L354 HydrophobicContact CD1-CD2 3.5Å; F303-L354 VanDerWaalsContact CD1-CD2 3.5Å; F303-L354 HydrophobicContact CE1-CD1 4.44Å; F303-L354 HydrophobicContact CE1-CD2 3.93Å; F303-L354 HydrophobicContact CG-CD2 3.97Å
304	A	98.6	Very high	98.2	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.041	17%	0.174	C	C	.	.			trans	-84.8	140	-175.7	0	0	0	0	0	112.1	F282 I300 E301 S306 F310	F282-A304 HydrophobicContact CZ-CB 4.29Å; I300-A304 PolarHBondContact O-N 3.29Å; E301-A304 PolarHBondContact O-N 3.05Å; A304-S306 VanDerWaalsContact C-N 3.26Å; A304-S306 PolarHBondContact O-N 3.29Å; A304-F310 HydrophobicContact CB-CD1 3.44Å; A304-F310 VanDerWaalsContact CB-CD1 3.44Å; A304-F310 HydrophobicContact CB-CE1 3.5Å; A304-F310 VanDerWaalsContact CB-CE1 3.5Å; A304-F310 HydrophobicContact CB-CG 4.38Å; A304-F310 HydrophobicContact CB-CZ 4.45Å
305	P	98.5	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-66	-28.3	178	24.6	-33.4	0	0	0	113	L286 S309 W342 P347 S348 F351	L286-P305 HydrophobicContact CD1-CG 4.13Å; L286-P305 HydrophobicContact CD2-CG 4.08Å; P305-S309 VanDerWaalsContact CD-OG 3.27Å; P305-S309 WeakPolarHBondContact CD-OG 3.47Å; P305-S309 WeakPolarHBondContact CG-OG 3.27Å; P305-W342 HydrophobicContact CB-CB 4.4Å; P305-W342 HydrophobicContact CB-CD2 3.57Å; P305-W342 HydrophobicContact CB-CE3 3.68Å; P305-W342 HydrophobicContact CB-CG 3.9Å; P305-W342 HydrophobicContact CB-CZ3 4.21Å; P305-W342 HydrophobicContact CG-CD2 3.55Å; P305-W342 VanDerWaalsContact CG-CE2 3.43Å; P305-W342 HydrophobicContact CG-CE3 3.99Å; P305-W342 HydrophobicContact CG-CG 3.99Å; P305-W342 HydrophobicContact CG-CH2 4.18Å; P305-W342 HydrophobicContact CG-CZ2 3.77Å; P305-W342 HydrophobicContact CG-CZ3 4.29Å; P305-P347 HydrophobicContact CB-CB 3.63Å; P305-S348 WeakPolarHBondContact O-CB 3.38Å; P305-S348 PolarHBondContact O-N 3.2Å; P305-S348 PolarHBondContact O-OG 3.5Å; P305-F351 HydrophobicContact CB-CD1 4.3Å; P305-F351 HydrophobicContact CB-CD2 4.1Å; P305-F351 HydrophobicContact CB-CE1 4.37Å; P305-F351 HydrophobicContact CB-CE2 4.19Å; P305-F351 HydrophobicContact CB-CG 4.14Å; P305-F351 HydrophobicContact CB-CZ 4.32Å
306	S	98.1	Very high	98.1	Very high	27 Å²	27	41.1 Å²	41.1	19%	0.189	21%	0.214	C	C	.	.	S	Bend	trans	-152.8	162	170.7	72.8	0	0	0	0	111.6	A304 D308 S309	A304-S306 VanDerWaalsContact C-N 3.26Å; A304-S306 PolarHBondContact O-N 3.29Å; S306-D308 VanDerWaalsContact C-N 3.28Å; S306-D308 PolarHBondContact O-N 3.17Å; S306-S309 PolarHBondContact N-OG 3.07Å; S306-S309 WeakPolarHBondContact O-CB 3.28Å; S306-S309 PolarHBondContact O-N 2.94Å; S306-S309 VanDerWaalsContact O-N 3.14Å; S306-S309 PolarHBondContact O-OG 2.94Å; S306-S309 WeakPolarHBondContact OG-CB 3.37Å
307	P	97.6	Very high	98.1	Very high	114 Å²	114	47.3 Å²	47.3	74%	0.74	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.4	-178.2	-27.5	36.2	0	0	0	114.9
308	D	96.2	Very high	98.2	Very high	92 Å²	92	49.3 Å²	49.3	49%	0.492	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.3	-178.1	-63.3	-52.8	0	0	0	113.8	S306 F310 T339	S306-D308 VanDerWaalsContact C-N 3.28Å; S306-D308 PolarHBondContact O-N 3.17Å; D308-F310 VanDerWaalsContact C-N 3.27Å; D308-F310 PolarHBondContact O-N 2.73Å; D308-T339 VanDerWaalsContact O-CB 3.27Å; D308-T339 WeakPolarHBondContact O-CB 3.43Å; D308-T339 WeakPolarHBondContact O-CG2 3.11Å
309	S	98.4	Very high	98.2	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.242	C	C	.	.	S	Bend	trans	-78.4	-4.3	-172.3	64	0	0	0	0	114.9	P292 P305 S306 T339	P292-S309 WeakPolarHBondContact CD-O 3.36Å; P305-S309 VanDerWaalsContact CD-OG 3.27Å; P305-S309 WeakPolarHBondContact CD-OG 3.47Å; P305-S309 WeakPolarHBondContact CG-OG 3.27Å; S306-S309 PolarHBondContact N-OG 3.07Å; S306-S309 WeakPolarHBondContact O-CB 3.28Å; S306-S309 PolarHBondContact O-N 2.94Å; S306-S309 VanDerWaalsContact O-N 3.14Å; S306-S309 PolarHBondContact O-OG 2.94Å; S306-S309 WeakPolarHBondContact OG-CB 3.37Å; S309-T339 WeakPolarHBondContact CA-O 3.3Å
310	F	98.8	Very high	98.2	Very high	25 Å²	25	54.5 Å²	54.5	11%	0.11	27%	0.274	C	S	.	.			trans	-149.8	166.5	-176.4	74.2	-73	0	0	0	111.6	F282 P292 V294 I300 E301 A304 D308 H312	F282-F310 HydrophobicContact CE2-CB 4.13Å; P292-F310 HydrophobicContact CG-CB 3.73Å; P292-F310 CarbonylContact O-C 3.49Å; P292-F310 WeakPolarHBondContact O-CA 2.98Å; V294-F310 HydrophobicContact CG2-CD2 4.46Å; I300-F310 HydrophobicContact CB-CE2 4.36Å; I300-F310 HydrophobicContact CG1-CD2 4.22Å; I300-F310 HydrophobicContact CG1-CE2 4.17Å; I300-F310 HydrophobicContact CG2-CD2 4.16Å; I300-F310 HydrophobicContact CG2-CE2 3.41Å; I300-F310 VanDerWaalsContact CG2-CE2 3.41Å; I300-F310 HydrophobicContact CG2-CZ 4.1Å; E301-F310 HydrophobicContact CB-CE1 4.38Å; E301-F310 HydrophobicContact CB-CZ 3.92Å; A304-F310 HydrophobicContact CB-CD1 3.44Å; A304-F310 VanDerWaalsContact CB-CD1 3.44Å; A304-F310 HydrophobicContact CB-CE1 3.5Å; A304-F310 VanDerWaalsContact CB-CE1 3.5Å; A304-F310 HydrophobicContact CB-CG 4.38Å; A304-F310 HydrophobicContact CB-CZ 4.45Å; D308-F310 VanDerWaalsContact C-N 3.27Å; D308-F310 PolarHBondContact O-N 2.73Å; F310-H312 HydrophobicContact CD2-CB 4.3Å; F310-H312 HydrophobicContact CE2-CB 3.85Å
311	L	98.8	Very high	98.2	Very high	20 Å²	20	57.6 Å²	57.6	11%	0.105	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.3	171.4	-58.8	177.2	0	0	0	109.1	F265 V291 P292 V293 V294 V322 K325 M326 L329	F265-L311 HydrophobicContact CD1-CD1 4.27Å; F265-L311 HydrophobicContact CE1-CD1 4.02Å; V291-L311 HydrophobicContact CG1-CG 4.33Å; P292-L311 PolarHBondContact O-N 2.72Å; V293-L311 CarbonylContact C-O 3.51Å; V293-L311 VanDerWaalsContact CA-O 3.3Å; V293-L311 WeakPolarHBondContact CA-O 3.08Å; V293-L311 HydrophobicContact CG1-CB 4.42Å; V293-L311 HydrophobicContact CG2-CB 4.32Å; V293-L311 HydrophobicContact CG2-CD1 4.26Å; V294-L311 PolarHBondContact N-O 2.93Å; L311-V322 HydrophobicContact CB-CG1 4.07Å; L311-V322 HydrophobicContact CD1-CG1 4.23Å; L311-K325 HydrophobicContact CD1-CG 4.41Å; L311-K325 HydrophobicContact CD2-CB 4.36Å; L311-K325 HydrophobicContact CD2-CG 3.62Å; L311-M326 HydrophobicContact CD1-CG 3.5Å; L311-L329 HydrophobicContact CD1-CD1 4.45Å
312	H	98.7	Very high	98.2	Very high	42 Å²	42	53 Å²	53	19%	0.194	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	-178.1	-166.3	-175.4	0	0	0	111.2	I300 F310 V322	I300-H312 HydrophobicContact CG2-CB 4.37Å; I300-H312 WeakPolarHBondContact CG2-ND1 3.35Å; F310-H312 HydrophobicContact CD2-CB 4.3Å; F310-H312 HydrophobicContact CE2-CB 3.85Å; H312-V322 WeakPolarHBondContact O-CG2 3.33Å
313	I	98.7	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.			trans	-102.1	90.4	164.7	-56.3	170.8	0	0	0	106.2	F225 A229 L233 F269 V293 V294 V295 Q315 D318 V319 V322	F225-I313 HydrophobicContact CE2-CG2 3.93Å; F225-I313 WeakPolarHBondContact CZ-O 3.28Å; A229-I313 HydrophobicContact CB-CG2 4.43Å; L233-I313 HydrophobicContact CD1-CD1 3.76Å; L233-I313 HydrophobicContact CD2-CD1 4.17Å; L233-I313 HydrophobicContact CG-CD1 4.09Å; F269-I313 HydrophobicContact CZ-CD1 4.29Å; V293-I313 HydrophobicContact CG1-CD1 3.85Å; V293-I313 HydrophobicContact CG1-CG1 4.25Å; V294-I313 PolarHBondContact O-N 3.47Å; V295-I313 HydrophobicContact CG2-CB 3.86Å; V295-I313 HydrophobicContact CG2-CD1 4.43Å; V295-I313 HydrophobicContact CG2-CG2 4.23Å; I313-Q315 VanDerWaalsContact CG2-O 3.32Å; I313-Q315 WeakPolarHBondContact CG2-O 3.37Å; I313-D318 HydrophobicContact CG2-CB 4.32Å; I313-V319 HydrophobicContact CD1-CG2 4.43Å; I313-V319 HydrophobicContact CG2-CG2 3.72Å; I313-V322 HydrophobicContact CD1-CB 4.46Å; I313-V322 HydrophobicContact CD1-CG1 4.11Å; I313-V322 HydrophobicContact CG1-CB 3.97Å; I313-V322 HydrophobicContact CG1-CG1 3.9Å; I313-V322 HydrophobicContact CG1-CG2 3.76Å
314	K	97.7	Very high	98.3	Very high	128 Å²	128	58.5 Å²	58.5	56%	0.557	30%	0.303	S	S	*	.			trans	-75.2	-32	-178.8	-176	174.1	-178.8	169.4	0	111.2	F225 D318	F225-K314 WeakPolarHBondContact CE1-O 3.22Å; F225-K314 VanDerWaalsContact CZ-O 3.24Å; F225-K314 WeakPolarHBondContact CZ-O 3.24Å; K314-D318 WeakPolarHBondContact CA-OD2 3.36Å; K314-D318 WeakPolarHBondContact CB-OD2 3.19Å; K314-D318 PolarHBondContact N-OD2 3.02Å
315	Q	97.8	Very high	98.3	Very high	107 Å²	107	62.3 Å²	62.3	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-148.3	169.2	176.8	58.1	-175.1	6	0	0	111.1	I313 D317 D318	I313-Q315 VanDerWaalsContact CG2-O 3.32Å; I313-Q315 WeakPolarHBondContact CG2-O 3.37Å; Q315-D317 HydrophobicContact CG-CB 4.48Å; Q315-D317 PolarHBondContact O-N 3.23Å; Q315-D318 WeakPolarHBondContact CG-OD2 3.48Å; Q315-D318 PolarHBondContact N-OD2 3.04Å; Q315-D318 WeakPolarHBondContact O-CB 3.22Å; Q315-D318 PolarHBondContact O-N 3.03Å; Q315-D318 VanDerWaalsContact O-N 3.1Å
316	M	97.8	Very high	98.3	Very high	74 Å²	74	62.3 Å²	62.3	37%	0.365	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-59.3	-30.2	-176.1	-72.5	-59.1	-59.2	0	0	114	F225 Q228 A229 A232 D318 V319	F225-M316 HydrophobicContact CB-CG 4.42Å; F225-M316 HydrophobicContact CB-SD 4.09Å; F225-M316 HydrophobicContact CD2-CG 4.16Å; F225-M316 HydrophobicContact CD2-SD 3.55Å; F225-M316 VanDerWaalsContact CD2-SD 3.55Å; F225-M316 HydrophobicContact CE2-SD 4.4Å; F225-M316 HydrophobicContact CG-CG 4.42Å; F225-M316 HydrophobicContact CG-SD 4.16Å; Q228-M316 HydrophobicContact CB-CE 3.87Å; Q228-M316 HydrophobicContact CB-SD 3.83Å; A229-M316 HydrophobicContact CB-SD 4.35Å; A232-M316 HydrophobicContact CB-CE 3.85Å; M316-D318 PolarHBondContact O-N 2.64Å; M316-V319 HydrophobicContact CE-CG2 4.4Å; M316-V319 WeakPolarHBondContact O-CB 3.37Å; M316-V319 VanDerWaalsContact O-CG2 3.26Å; M316-V319 WeakPolarHBondContact O-CG2 3.27Å; M316-V319 PolarHBondContact O-N 2.62Å
317	D	98	Very high	98.3	Very high	132 Å²	132	64.4 Å²	64.4	71%	0.706	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68.1	-22.8	-179.9	-68.8	-13.2	0	0	0	112.9	Q315 V319	Q315-D317 HydrophobicContact CG-CB 4.48Å; Q315-D317 PolarHBondContact O-N 3.23Å; D317-V319 VanDerWaalsContact C-N 3.28Å; D317-V319 PolarHBondContact O-N 3.03Å
318	D	98.4	Very high	98.4	Very high	44 Å²	44	64.4 Å²	64.4	24%	0.235	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-74.7	-20.3	-179.9	-55.1	-34.8	0	0	0	112.4	I313 K314 Q315 M316 K320 A321 V322	I313-D318 HydrophobicContact CG2-CB 4.32Å; K314-D318 WeakPolarHBondContact CA-OD2 3.36Å; K314-D318 WeakPolarHBondContact CB-OD2 3.19Å; K314-D318 PolarHBondContact N-OD2 3.02Å; Q315-D318 WeakPolarHBondContact CG-OD2 3.48Å; Q315-D318 PolarHBondContact N-OD2 3.04Å; Q315-D318 WeakPolarHBondContact O-CB 3.22Å; Q315-D318 PolarHBondContact O-N 3.03Å; Q315-D318 VanDerWaalsContact O-N 3.1Å; M316-D318 PolarHBondContact O-N 2.64Å; D318-K320 VanDerWaalsContact C-N 3.26Å; D318-K320 PolarHBondContact O-N 2.96Å; D318-K320 VanDerWaalsContact O-N 3.17Å; D318-A321 PolarHBondContact O-N 3.05Å; D318-V322 PolarHBondContact O-N 3.18Å
319	V	98.7	Very high	98.5	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-53.9	-42.9	-172.8	172.4	0	0	0	0	111.8	A229 A232 L233 T236 I313 M316 D317 V322 A323	A229-V319 HydrophobicContact CB-CG2 4.4Å; A232-V319 HydrophobicContact CB-CB 4.42Å; A232-V319 HydrophobicContact CB-CG1 3.74Å; A232-V319 HydrophobicContact CB-CG2 4.29Å; L233-V319 HydrophobicContact CD2-CG1 3.92Å; L233-V319 HydrophobicContact CG-CG1 3.97Å; T236-V319 HydrophobicContact CG2-CG1 4.42Å; I313-V319 HydrophobicContact CD1-CG2 4.43Å; I313-V319 HydrophobicContact CG2-CG2 3.72Å; M316-V319 HydrophobicContact CE-CG2 4.4Å; M316-V319 WeakPolarHBondContact O-CB 3.37Å; M316-V319 VanDerWaalsContact O-CG2 3.26Å; M316-V319 WeakPolarHBondContact O-CG2 3.27Å; M316-V319 PolarHBondContact O-N 2.62Å; D317-V319 VanDerWaalsContact C-N 3.28Å; D317-V319 PolarHBondContact O-N 3.03Å; V319-V322 PolarHBondContact O-N 3.19Å; V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.47Å; V319-A323 PolarHBondContact O-N 3.4Å
320	K	98.4	Very high	98.5	Very high	169 Å²	169	60.5 Å²	60.5	74%	0.735	29%	0.29	S	S	*	.	H	α-helix	trans	-66.2	-42	-179.7	-69.6	-179.4	-178.4	173.4	0	111.8	D318 K324	D318-K320 VanDerWaalsContact C-N 3.26Å; D318-K320 PolarHBondContact O-N 2.96Å; D318-K320 VanDerWaalsContact O-N 3.17Å; K320-K324 WeakPolarHBondContact O-CB 3.42Å; K320-K324 PolarHBondContact O-N 2.7Å
321	A	98.6	Very high	98.4	Very high	66 Å²	66	65.3 Å²	65.3	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-43.3	178.8	0	0	0	0	0	111.1	D318 K324 K325	D318-A321 PolarHBondContact O-N 3.05Å; A321-K324 WeakPolarHBondContact O-CB 3.49Å; A321-K324 PolarHBondContact O-N 3.11Å; A321-K325 PolarHBondContact O-N 2.73Å
322	V	98.7	Very high	98.4	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-46.8	175.9	170.3	0	0	0	0	111.2	L233 V293 L311 H312 I313 D318 V319 K324 K325 M326	L233-V322 HydrophobicContact CD2-CG1 4.43Å; V293-V322 HydrophobicContact CG1-CG1 3.85Å; L311-V322 HydrophobicContact CB-CG1 4.07Å; L311-V322 HydrophobicContact CD1-CG1 4.23Å; H312-V322 WeakPolarHBondContact O-CG2 3.33Å; I313-V322 HydrophobicContact CD1-CB 4.46Å; I313-V322 HydrophobicContact CD1-CG1 4.11Å; I313-V322 HydrophobicContact CG1-CB 3.97Å; I313-V322 HydrophobicContact CG1-CG1 3.9Å; I313-V322 HydrophobicContact CG1-CG2 3.76Å; D318-V322 PolarHBondContact O-N 3.18Å; V319-V322 PolarHBondContact O-N 3.19Å; V322-K324 VanDerWaalsContact C-N 3.31Å; V322-K324 PolarHBondContact O-N 2.7Å; V322-K325 PolarHBondContact O-N 3.07Å; V322-K325 VanDerWaalsContact O-N 3.1Å; V322-M326 HydrophobicContact CG1-CG 4.32Å; V322-M326 HydrophobicContact CG1-SD 4.11Å; V322-M326 WeakPolarHBondContact O-CG 3.36Å; V322-M326 PolarHBondContact O-N 2.93Å
323	A	98.8	Very high	98.4	Very high	2 Å²	2	69.5 Å²	69.5	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-58.1	-42.2	175.4	0	0	0	0	0	112.7	L233 T236 V238 V319 M326 K327	L233-A323 HydrophobicContact CD2-CB 4.1Å; T236-A323 HydrophobicContact CG2-CB 3.8Å; T236-A323 WeakPolarHBondContact OG1-CB 3.11Å; V238-A323 HydrophobicContact CG2-CB 4.04Å; V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.47Å; V319-A323 PolarHBondContact O-N 3.4Å; A323-M326 PolarHBondContact O-N 2.81Å; A323-K327 WeakPolarHBondContact O-CG 3.06Å; A323-K327 PolarHBondContact O-N 2.91Å; A323-K327 VanDerWaalsContact O-N 3.1Å
324	K	98.7	Very high	98.3	Very high	164 Å²	164	76 Å²	76	71%	0.713	38%	0.381	S	S	*	.	H	α-helix	trans	-60.8	-44.4	174.7	-176	-178.2	178.8	-177.1	0	111.1	K320 A321 V322 K327 Y328	K320-K324 WeakPolarHBondContact O-CB 3.42Å; K320-K324 PolarHBondContact O-N 2.7Å; A321-K324 WeakPolarHBondContact O-CB 3.49Å; A321-K324 PolarHBondContact O-N 3.11Å; V322-K324 VanDerWaalsContact C-N 3.31Å; V322-K324 PolarHBondContact O-N 2.7Å; K324-K327 PolarHBondContact O-N 2.7Å; K324-Y328 WeakPolarHBondContact O-CB 3.27Å; K324-Y328 PolarHBondContact O-N 2.68Å
325	K	98.7	Very high	98.4	Very high	84 Å²	84	71 Å²	71	37%	0.365	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177.5	-174.7	64.6	175.8	-173.2	0	112	L311 A321 V322 K327 Y328 L329	L311-K325 HydrophobicContact CD1-CG 4.41Å; L311-K325 HydrophobicContact CD2-CB 4.36Å; L311-K325 HydrophobicContact CD2-CG 3.62Å; A321-K325 PolarHBondContact O-N 2.73Å; V322-K325 PolarHBondContact O-N 3.07Å; V322-K325 VanDerWaalsContact O-N 3.1Å; K325-K327 PolarHBondContact O-N 2.7Å; K325-Y328 HydrophobicContact CD-CD1 4.18Å; K325-Y328 PolarHBondContact O-N 3.22Å; K325-L329 HydrophobicContact CD-CD1 4.37Å; K325-L329 HydrophobicContact CD-CG 4.23Å; K325-L329 HydrophobicContact CG-CD1 4.04Å; K325-L329 HydrophobicContact CG-CG 4.33Å; K325-L329 WeakPolarHBondContact O-CB 3.42Å; K325-L329 VanDerWaalsContact O-CG 3.3Å; K325-L329 WeakPolarHBondContact O-CG 3.47Å; K325-L329 PolarHBondContact O-N 3.29Å
326	M	98.8	Very high	98.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-46.1	175.5	-70.8	173.5	75.1	0	0	111.7	A213 L233 V238 F265 V293 L311 V322 A323 A330	A213-M326 HydrophobicContact CB-CE 3.91Å; L233-M326 HydrophobicContact CD2-SD 4.13Å; V238-M326 HydrophobicContact CG1-CE 3.71Å; V238-M326 HydrophobicContact CG1-SD 4.37Å; F265-M326 HydrophobicContact CB-CE 3.94Å; F265-M326 HydrophobicContact CD1-CE 4.44Å; F265-M326 HydrophobicContact CD1-CG 4.25Å; F265-M326 HydrophobicContact CD2-CB 4.46Å; F265-M326 HydrophobicContact CD2-CE 3.83Å; F265-M326 HydrophobicContact CD2-CG 4.49Å; F265-M326 HydrophobicContact CE1-CB 4.46Å; F265-M326 HydrophobicContact CE1-CG 4.19Å; F265-M326 HydrophobicContact CE2-CB 4.05Å; F265-M326 HydrophobicContact CE2-CG 4.42Å; F265-M326 WeakPolarHBondContact CE2-O 3.29Å; F265-M326 HydrophobicContact CG-CE 3.81Å; F265-M326 HydrophobicContact CG-CG 4.44Å; F265-M326 HydrophobicContact CZ-CB 4.07Å; F265-M326 HydrophobicContact CZ-CG 4.29Å; F265-M326 WeakPolarHBondContact CZ-O 3.35Å; V293-M326 HydrophobicContact CG2-CE 4.1Å; V293-M326 HydrophobicContact CG2-CG 4.47Å; V293-M326 HydrophobicContact CG2-SD 4.07Å; L311-M326 HydrophobicContact CD1-CG 3.5Å; V322-M326 HydrophobicContact CG1-CG 4.32Å; V322-M326 HydrophobicContact CG1-SD 4.11Å; V322-M326 WeakPolarHBondContact O-CG 3.36Å; V322-M326 PolarHBondContact O-N 2.93Å; A323-M326 PolarHBondContact O-N 2.81Å; M326-A330 VanDerWaalsContact O-CB 3.29Å; M326-A330 WeakPolarHBondContact O-CB 3.48Å; M326-A330 PolarHBondContact O-N 3.39Å
327	K	98.6	Very high	98.4	Very high	71 Å²	71	67.6 Å²	67.6	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-47.1	176.6	-67.3	176.2	-175.3	-176.9	0	112	T236 V238 A323 K324 K325 L329 A330 D331	T236-K327 WeakPolarHBondContact O-CE 3.31Å; T236-K327 PolarHBondContact O-NZ 3Å; V238-K327 HydrophobicContact CG2-CG 4.26Å; A323-K327 WeakPolarHBondContact O-CG 3.06Å; A323-K327 PolarHBondContact O-N 2.91Å; A323-K327 VanDerWaalsContact O-N 3.1Å; K324-K327 PolarHBondContact O-N 2.7Å; K325-K327 PolarHBondContact O-N 2.7Å; K327-L329 PolarHBondContact O-N 2.88Å; K327-A330 WeakPolarHBondContact O-CB 3.42Å; K327-A330 PolarHBondContact O-N 2.93Å; K327-A330 VanDerWaalsContact O-N 3.09Å; K327-D331 PolarHBondContact O-N 2.98Å
328	Y	98.6	Very high	98.4	Very high	114 Å²	114	65.4 Å²	65.4	45%	0.447	33%	0.334	S	S	.	.	H	α-helix	trans	-54.6	-50.7	175.7	169.5	-100.1	0	0	0	111.7	K324 K325 A330 D331 N332 A335	K324-Y328 WeakPolarHBondContact O-CB 3.27Å; K324-Y328 PolarHBondContact O-N 2.68Å; K325-Y328 HydrophobicContact CD-CD1 4.18Å; K325-Y328 PolarHBondContact O-N 3.22Å; Y328-A330 VanDerWaalsContact C-N 3.32Å; Y328-A330 PolarHBondContact O-N 2.85Å; Y328-D331 PolarHBondContact O-N 3.35Å; Y328-N332 VanDerWaalsContact CD2-ND2 3.33Å; Y328-N332 WeakPolarHBondContact CD2-ND2 3.29Å; Y328-N332 HydrophobicContact CE2-CB 4.34Å; Y328-N332 WeakPolarHBondContact CE2-ND2 3.1Å; Y328-N332 VanDerWaalsContact O-CB 3.31Å; Y328-N332 WeakPolarHBondContact O-CB 3.39Å; Y328-N332 PolarHBondContact O-N 3.36Å; Y328-N332 PolarHBondContact O-ND2 2.97Å; Y328-A335 HydrophobicContact CE1-CB 3.69Å
329	L	98.5	Very high	98.4	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-38	177.2	-70.7	175.1	0	0	0	111.7	F265 L311 K325 K327 D331 N332 A335 Y336 T339	F265-L329 HydrophobicContact CE1-CB 4.42Å; F265-L329 HydrophobicContact CE1-CD1 4Å; F265-L329 HydrophobicContact CZ-CB 3.85Å; F265-L329 HydrophobicContact CZ-CD1 4.24Å; L311-L329 HydrophobicContact CD1-CD1 4.45Å; K325-L329 HydrophobicContact CD-CD1 4.37Å; K325-L329 HydrophobicContact CD-CG 4.23Å; K325-L329 HydrophobicContact CG-CD1 4.04Å; K325-L329 HydrophobicContact CG-CG 4.33Å; K325-L329 WeakPolarHBondContact O-CB 3.42Å; K325-L329 VanDerWaalsContact O-CG 3.3Å; K325-L329 WeakPolarHBondContact O-CG 3.47Å; K325-L329 PolarHBondContact O-N 3.29Å; K327-L329 PolarHBondContact O-N 2.88Å; L329-D331 VanDerWaalsContact C-N 3.29Å; L329-D331 PolarHBondContact O-N 2.91Å; L329-N332 PolarHBondContact O-N 3.43Å; L329-A335 HydrophobicContact CD2-CB 3.98Å; L329-A335 WeakPolarHBondContact CD2-O 3.35Å; L329-Y336 HydrophobicContact CB-CD2 4.39Å; L329-Y336 WeakPolarHBondContact O-CB 3.39Å; L329-T339 HydrophobicContact CD1-CG2 4.03Å; L329-T339 HydrophobicContact CD2-CG2 3.85Å
330	A	98.1	Very high	98.4	Very high	9 Å²	9	63.8 Å²	63.8	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-37.1	176.4	0	0	0	0	0	112.7	L212 K264 F265 M326 K327 Y328	L212-A330 HydrophobicContact CD1-CB 4.04Å; L212-A330 HydrophobicContact CD2-CB 3.52Å; L212-A330 HydrophobicContact CG-CB 4.43Å; K264-A330 HydrophobicContact CD-CB 4.2Å; K264-A330 PolarHBondContact NZ-O 3.32Å; F265-A330 HydrophobicContact CE2-CB 4.47Å; M326-A330 VanDerWaalsContact O-CB 3.29Å; M326-A330 WeakPolarHBondContact O-CB 3.48Å; M326-A330 PolarHBondContact O-N 3.39Å; K327-A330 WeakPolarHBondContact O-CB 3.42Å; K327-A330 PolarHBondContact O-N 2.93Å; K327-A330 VanDerWaalsContact O-N 3.09Å; Y328-A330 VanDerWaalsContact C-N 3.32Å; Y328-A330 PolarHBondContact O-N 2.85Å
331	D	98	Very high	98.3	Very high	127 Å²	127	61 Å²	61	68%	0.679	31%	0.31	S	S	*	.	H	α-helix	trans	-89.2	-11.4	-176.7	-62.2	-23.5	0	0	0	113.4	K327 Y328 L329	K327-D331 PolarHBondContact O-N 2.98Å; Y328-D331 PolarHBondContact O-N 3.35Å; L329-D331 VanDerWaalsContact C-N 3.29Å; L329-D331 PolarHBondContact O-N 2.91Å
332	N	98.5	Very high	98.3	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	29%	0.286	S	S	.	.			trans	-122	92.3	-176.6	-67.6	-94.9	0	0	0	110.5	Y328 L329 D334 A335 Y336	Y328-N332 VanDerWaalsContact CD2-ND2 3.33Å; Y328-N332 WeakPolarHBondContact CD2-ND2 3.29Å; Y328-N332 HydrophobicContact CE2-CB 4.34Å; Y328-N332 WeakPolarHBondContact CE2-ND2 3.1Å; Y328-N332 VanDerWaalsContact O-CB 3.31Å; Y328-N332 WeakPolarHBondContact O-CB 3.39Å; Y328-N332 PolarHBondContact O-N 3.36Å; Y328-N332 PolarHBondContact O-ND2 2.97Å; L329-N332 PolarHBondContact O-N 3.43Å; N332-D334 VanDerWaalsContact C-N 3.33Å; N332-D334 PolarHBondContact O-N 3.14Å; N332-A335 HydrophobicContact CB-CB 3.85Å; N332-A335 PolarHBondContact O-N 2.97Å; N332-A335 VanDerWaalsContact O-N 3.17Å; N332-Y336 PolarHBondContact O-N 2.68Å
333	P	97.5	Very high	98.2	Very high	86 Å²	86	58.2 Å²	58.2	56%	0.558	29%	0.285	S	S	*	.	H	α-helix	trans	-54.7	-41.9	-176.5	-28.8	36	0	0	0	114.4	Y336 N337	P333-Y336 PolarHBondContact O-N 2.92Å; P333-N337 WeakPolarHBondContact O-CB 3.41Å; P333-N337 PolarHBondContact O-N 2.68Å; P333-N337 PolarHBondContact O-ND2 2.86Å
334	D	98.1	Very high	98	Very high	137 Å²	137	65.5 Å²	65.5	73%	0.733	32%	0.318	S	S	*	.	H	α-helix	trans	-65.5	-42.5	179.7	-62.9	-29.4	0	0	0	111.7	N332 Y336 N337 Q338	N332-D334 VanDerWaalsContact C-N 3.33Å; N332-D334 PolarHBondContact O-N 3.14Å; D334-Y336 VanDerWaalsContact C-N 3.33Å; D334-Y336 PolarHBondContact O-N 3.24Å; D334-N337 PolarHBondContact O-N 3.13Å; D334-Q338 PolarHBondContact O-N 3.39Å
335	A	98.5	Very high	97.8	Very high	23 Å²	23	63.9 Å²	63.9	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-37.4	176.2	0	0	0	0	0	111.7	Y328 L329 N332	Y328-A335 HydrophobicContact CE1-CB 3.69Å; L329-A335 HydrophobicContact CD2-CB 3.98Å; L329-A335 WeakPolarHBondContact CD2-O 3.35Å; N332-A335 HydrophobicContact CB-CB 3.85Å; N332-A335 PolarHBondContact O-N 2.97Å; N332-A335 VanDerWaalsContact O-N 3.17Å
336	Y	98.6	Very high	97.6	Very high	13 Å²	13	60.6 Å²	60.6	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-48.2	172.9	-176.4	-100.5	0	0	0	111.7	K207 K264 F265 V291 L329 N332 P333 D334 Q338 T339 L340	K207-Y336 WeakPolarHBondContact CE-OH 3.32Å; K207-Y336 HydrophobicContact CG-CE1 4.4Å; K264-Y336 VanDerWaalsContact CA-OH 3.28Å; K264-Y336 WeakPolarHBondContact CA-OH 3.47Å; K264-Y336 HydrophobicContact CB-CE2 3.77Å; K264-Y336 HydrophobicContact CD-CE2 4.47Å; K264-Y336 HydrophobicContact CG-CE2 4.1Å; K264-Y336 WeakPolarHBondContact O-CE2 3.36Å; K264-Y336 PolarHBondContact O-OH 3.18Å; F265-Y336 HydrophobicContact CZ-CE2 4.49Å; V291-Y336 HydrophobicContact CG2-CD2 4.44Å; V291-Y336 HydrophobicContact CG2-CE2 3.77Å; L329-Y336 HydrophobicContact CB-CD2 4.39Å; L329-Y336 WeakPolarHBondContact O-CB 3.39Å; N332-Y336 PolarHBondContact O-N 2.68Å; P333-Y336 PolarHBondContact O-N 2.92Å; D334-Y336 VanDerWaalsContact C-N 3.33Å; D334-Y336 PolarHBondContact O-N 3.24Å; Y336-Q338 PolarHBondContact O-N 2.98Å; Y336-T339 WeakPolarHBondContact O-CB 3.3Å; Y336-T339 PolarHBondContact O-N 2.83Å; Y336-T339 PolarHBondContact O-OG1 3.08Å; Y336-L340 HydrophobicContact CE1-CD1 3.72Å
337	N	97.6	Very high	97.6	Very high	96 Å²	96	61 Å²	61	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-34.5	179.2	-71.8	-19.8	0	0	0	111.8	P333 D334 T339 L340 R341	P333-N337 WeakPolarHBondContact O-CB 3.41Å; P333-N337 PolarHBondContact O-N 2.68Å; P333-N337 PolarHBondContact O-ND2 2.86Å; D334-N337 PolarHBondContact O-N 3.13Å; N337-T339 VanDerWaalsContact C-N 3.25Å; N337-T339 PolarHBondContact O-N 3.06Å; N337-L340 CarbonylContact O-C 3.07Å; N337-L340 PolarHBondContact O-N 3.32Å; N337-R341 PolarHBondContact O-N 2.92Å
338	Q	98	Very high	97.5	Very high	85 Å²	85	59.8 Å²	59.8	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-59.7	-33.6	173.8	-176.1	59.5	40	0	0	112.6	D334 Y336 L340 R341	D334-Q338 PolarHBondContact O-N 3.39Å; Y336-Q338 PolarHBondContact O-N 2.98Å; Q338-L340 PolarHBondContact O-N 3.11Å; Q338-R341 WeakPolarHBondContact O-CB 3.38Å; Q338-R341 PolarHBondContact O-N 3.19Å; Q338-R341 VanDerWaalsContact OE1-CD 3.25Å
339	T	98.5	Very high	97.4	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-23.6	175.9	71.5	0	0	0	0	113.4	V291 D308 S309 L329 Y336 N337 W342	V291-T339 WeakPolarHBondContact CG2-OG1 3.03Å; D308-T339 VanDerWaalsContact O-CB 3.27Å; D308-T339 WeakPolarHBondContact O-CB 3.43Å; D308-T339 WeakPolarHBondContact O-CG2 3.11Å; S309-T339 WeakPolarHBondContact CA-O 3.3Å; L329-T339 HydrophobicContact CD1-CG2 4.03Å; L329-T339 HydrophobicContact CD2-CG2 3.85Å; Y336-T339 WeakPolarHBondContact O-CB 3.3Å; Y336-T339 PolarHBondContact O-N 2.83Å; Y336-T339 PolarHBondContact O-OG1 3.08Å; N337-T339 VanDerWaalsContact C-N 3.25Å; N337-T339 PolarHBondContact O-N 3.06Å; T339-W342 PolarHBondContact O-NE1 3.14Å
340	L	98.1	Very high	97.3	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-106.6	3.4	-179.7	-63	178.4	0	0	0	113	V204 G289 V291 Y336 N337 Q338 W342 K343	V204-L340 HydrophobicContact CG1-CD1 4.01Å; V204-L340 HydrophobicContact CG2-CD1 4.23Å; G289-L340 VanDerWaalsContact O-CD1 3.28Å; G289-L340 WeakPolarHBondContact O-CD1 3.46Å; V291-L340 HydrophobicContact CG2-CD2 4.3Å; Y336-L340 HydrophobicContact CE1-CD1 3.72Å; N337-L340 CarbonylContact O-C 3.07Å; N337-L340 PolarHBondContact O-N 3.32Å; Q338-L340 PolarHBondContact O-N 3.11Å; L340-W342 PolarHBondContact O-N 3.27Å; L340-W342 VanDerWaalsContact O-N 3.1Å; L340-K343 VanDerWaalsContact O-CB 3.24Å; L340-K343 WeakPolarHBondContact O-CB 3.26Å; L340-K343 PolarHBondContact O-N 2.92Å
341	R	97.2	Very high	97.3	Very high	110 Å²	110	59 Å²	59	42%	0.415	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.8	-176.8	-174.3	171.6	176.1	172.7	-2.5	113.5	N337 Q338 K343 H344 E345	N337-R341 PolarHBondContact O-N 2.92Å; Q338-R341 WeakPolarHBondContact O-CB 3.38Å; Q338-R341 PolarHBondContact O-N 3.19Å; Q338-R341 VanDerWaalsContact OE1-CD 3.25Å; R341-K343 PolarHBondContact O-N 2.63Å; R341-K343 VanDerWaalsContact O-N 3.14Å; R341-H344 PolarHBondContact O-N 3.04Å; R341-E345 HydrophobicContact CG-CG 4.17Å; R341-E345 WeakPolarHBondContact CG-OE2 3.04Å; R341-E345 IonicContact CZ-OE1 3.62Å; R341-E345 IonicContact CZ-OE2 3.6Å; R341-E345 IonicContact NE-OE1 2.85Å; R341-E345 PolarHBondContact NE-OE1 2.99Å; R341-E345 IonicContact NE-OE2 3.57Å; R341-E345 PolarHBondContact NE-OE2 2.62Å; R341-E345 IonicContact NH2-OE1 3.27Å; R341-E345 PolarHBondContact NH2-OE1 3.41Å; R341-E345 IonicContact NH2-OE2 3.27Å; R341-E345 PolarHBondContact O-N 3.46Å; R341-E345 VanDerWaalsContact O-N 3.07Å
342	W	97.7	Very high	97.3	Very high	8 Å²	8	54.3 Å²	54.3	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-22.4	175.5	66.8	-95.8	0	0	0	113.7	I200 M201 L286 P305 T339 L340 H344 G346 P347	I200-W342 HydrophobicContact CG2-CH2 3.66Å; I200-W342 HydrophobicContact CG2-CZ3 3.54Å; M201-W342 HydrophobicContact SD-CE3 4.33Å; M201-W342 HydrophobicContact SD-CZ3 4.02Å; L286-W342 HydrophobicContact CB-CH2 3.98Å; L286-W342 HydrophobicContact CB-CZ2 4.22Å; L286-W342 HydrophobicContact CD2-CH2 4.41Å; L286-W342 HydrophobicContact CD2-CZ2 3.89Å; P305-W342 HydrophobicContact CB-CB 4.4Å; P305-W342 HydrophobicContact CB-CD2 3.57Å; P305-W342 HydrophobicContact CB-CE3 3.68Å; P305-W342 HydrophobicContact CB-CG 3.9Å; P305-W342 HydrophobicContact CB-CZ3 4.21Å; P305-W342 HydrophobicContact CG-CD2 3.55Å; P305-W342 VanDerWaalsContact CG-CE2 3.43Å; P305-W342 HydrophobicContact CG-CE3 3.99Å; P305-W342 HydrophobicContact CG-CG 3.99Å; P305-W342 HydrophobicContact CG-CH2 4.18Å; P305-W342 HydrophobicContact CG-CZ2 3.77Å; P305-W342 HydrophobicContact CG-CZ3 4.29Å; T339-W342 PolarHBondContact O-NE1 3.14Å; L340-W342 PolarHBondContact O-N 3.27Å; L340-W342 VanDerWaalsContact O-N 3.1Å; W342-H344 PolarHBondContact O-N 3.37Å; W342-G346 CarbonylContact O-C 3.56Å; W342-G346 WeakPolarHBondContact O-CA 3.2Å; W342-G346 PolarHBondContact O-N 2.91Å; W342-P347 HydrophobicContact CE3-CB 4.43Å
343	K	97	Very high	97.3	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-26.3	172.8	-73.8	-80.7	-162.8	161.9	0	112.7	I200 M201 A202 V204 L286 V287 L340 R341	I200-K343 VanDerWaalsContact O-CD 3.26Å; I200-K343 WeakPolarHBondContact O-CD 3.31Å; I200-K343 WeakPolarHBondContact O-CE 3.45Å; I200-K343 PolarHBondContact O-NZ 3.19Å; M201-K343 WeakPolarHBondContact CE-O 3.34Å; A202-K343 PolarHBondContact O-NZ 2.86Å; A202-K343 VanDerWaalsContact O-NZ 3.08Å; V204-K343 HydrophobicContact CG2-CB 4.49Å; V204-K343 HydrophobicContact CG2-CG 4.09Å; L286-K343 WeakPolarHBondContact O-CE 3.33Å; L286-K343 PolarHBondContact O-NZ 3.34Å; V287-K343 PolarHBondContact O-NZ 2.95Å; L340-K343 VanDerWaalsContact O-CB 3.24Å; L340-K343 WeakPolarHBondContact O-CB 3.26Å; L340-K343 PolarHBondContact O-N 2.92Å; R341-K343 PolarHBondContact O-N 2.63Å; R341-K343 VanDerWaalsContact O-N 3.14Å
344	H	94.6	Very high	97.3	Very high	155 Å²	155	47.1 Å²	47.1	72%	0.718	24%	0.244	S	C	*	.	H	α-helix	trans	-101.7	-43.2	-177.2	-60.7	-73.5	0	0	0	111.8	R341 W342	R341-H344 PolarHBondContact O-N 3.04Å; W342-H344 PolarHBondContact O-N 3.37Å
345	E	94.1	Very high	97.3	Very high	131 Å²	131	40.6 Å²	40.6	61%	0.612	21%	0.209	S	C	*	.	H	α-helix	trans	-87.1	-13.5	-177.8	-63.3	-176.4	164.1	0	0	113.2	R341	R341-E345 HydrophobicContact CG-CG 4.17Å; R341-E345 WeakPolarHBondContact CG-OE2 3.04Å; R341-E345 IonicContact CZ-OE1 3.62Å; R341-E345 IonicContact CZ-OE2 3.6Å; R341-E345 IonicContact NE-OE1 2.85Å; R341-E345 PolarHBondContact NE-OE1 2.99Å; R341-E345 IonicContact NE-OE2 3.57Å; R341-E345 PolarHBondContact NE-OE2 2.62Å; R341-E345 IonicContact NH2-OE1 3.27Å; R341-E345 PolarHBondContact NH2-OE1 3.41Å; R341-E345 IonicContact NH2-OE2 3.27Å; R341-E345 PolarHBondContact O-N 3.46Å; R341-E345 VanDerWaalsContact O-N 3.07Å
346	G	95.7	Very high	97.2	Very high	15 Å²	15	39.9 Å²	39.9	16%	0.155	20%	0.202	C	C	.	.			trans	93.9	154.7	-170.5	0	0	0	0	0	112.2	W342	W342-G346 CarbonylContact O-C 3.56Å; W342-G346 WeakPolarHBondContact O-CA 3.2Å; W342-G346 PolarHBondContact O-N 2.91Å
347	P	97.6	Very high	97.1	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.045	20%	0.201	C	C	.	.			trans	-74.1	171.1	175.7	33	-35.5	0	0	0	111.3	W195 P305 W342 F351 K352 L451	W195-P347 HydrophobicContact CH2-CG 4.24Å; P305-P347 HydrophobicContact CB-CB 3.63Å; W342-P347 HydrophobicContact CE3-CB 4.43Å; P347-F351 HydrophobicContact CB-CB 4.13Å; P347-F351 HydrophobicContact CB-CD1 3.42Å; P347-F351 VanDerWaalsContact CB-CD1 3.42Å; P347-F351 HydrophobicContact CB-CE1 4.06Å; P347-F351 HydrophobicContact CB-CG 3.99Å; P347-F351 HydrophobicContact CG-CD1 3.6Å; P347-F351 HydrophobicContact CG-CE1 4.1Å; P347-K352 HydrophobicContact CG-CG 3.99Å; P347-K352 WeakPolarHBondContact O-CE 3.32Å; P347-K352 PolarHBondContact O-NZ 2.74Å; P347-L451 HydrophobicContact CG-CD1 4.31Å
348	S	97.3	Very high	97	Very high	47 Å²	47	36.5 Å²	36.5	33%	0.329	19%	0.189	S	C	.	.			trans	-58.7	153.4	174.2	69.9	0	0	0	0	112.5	P305 S350 F351 K352	P305-S348 WeakPolarHBondContact O-CB 3.38Å; P305-S348 PolarHBondContact O-N 3.2Å; P305-S348 PolarHBondContact O-OG 3.5Å; S348-S350 PolarHBondContact O-N 3.15Å; S348-F351 WeakPolarHBondContact O-CB 3.44Å; S348-F351 PolarHBondContact O-N 3.02Å; S348-F351 WeakPolarHBondContact OG-CB 3.38Å; S348-F351 PolarHBondContact OG-N 2.75Å; S348-F351 VanDerWaalsContact OG-N 3.13Å; S348-K352 WeakPolarHBondContact O-CG 3Å; S348-K352 PolarHBondContact O-N 2.92Å
349	D	96.3	Very high	96.9	Very high	48 Å²	48	33.2 Å²	33.2	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-63.4	-32	176.1	-75.9	-14.9	0	0	0	111.5	K352 A353 R458 V501	D349-K352 PolarHBondContact O-N 3.31Å; D349-K352 IonicContact OD1-NZ 2.93Å; D349-K352 PolarHBondContact OD1-NZ 3.19Å; D349-A353 VanDerWaalsContact O-CB 3.31Å; D349-A353 WeakPolarHBondContact O-CB 3.14Å; D349-A353 PolarHBondContact O-N 3.15Å; D349-R458 IonicContact OD1-NH2 2.55Å; D349-R458 PolarHBondContact OD1-NH2 2.57Å; D349-R458 IonicContact OD2-CZ 3.05Å; D349-R458 IonicContact OD2-NH1 2.7Å; D349-R458 PolarHBondContact OD2-NH1 3.25Å; D349-R458 IonicContact OD2-NH2 3.64Å; D349-R458 PolarHBondContact OD2-NH2 3.21Å; D349-V501 HydrophobicContact CB-CB 4.26Å; D349-V501 HydrophobicContact CB-CG1 4.33Å; D349-V501 HydrophobicContact CB-CG2 4.11Å
350	S	97.3	Very high	96.8	Very high	59 Å²	59	33.7 Å²	33.7	41%	0.413	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-42.5	172.4	-54.7	0	0	0	0	112.5	S348 A353 L354	S348-S350 PolarHBondContact O-N 3.15Å; S350-A353 PolarHBondContact O-N 3Å; S350-L354 PolarHBondContact O-N 3.1Å
351	F	98.1	Very high	96.6	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-46	174.5	-179.7	-92.8	0	0	0	110.9	W195 I200 L286 F303 P305 P347 S348 A353 L354 I355	W195-F351 HydrophobicContact CH2-CD1 4.17Å; W195-F351 AromaticContact CH2-CE1 3.75Å; W195-F351 HydrophobicContact CH2-CE1 3.75Å; W195-F351 HydrophobicContact CZ2-CE1 4.49Å; W195-F351 HydrophobicContact CZ3-CE1 4.32Å; I200-F351 HydrophobicContact CD1-CZ 4.12Å; I200-F351 HydrophobicContact CG2-CE1 4.39Å; I200-F351 HydrophobicContact CG2-CZ 4.31Å; L286-F351 HydrophobicContact CD1-CE2 4.13Å; L286-F351 HydrophobicContact CD1-CZ 4.1Å; F303-F351 VanDerWaalsContact O-CD2 3.23Å; F303-F351 WeakPolarHBondContact O-CD2 3.43Å; F303-F351 WeakPolarHBondContact O-CE2 3.34Å; P305-F351 HydrophobicContact CB-CD1 4.3Å; P305-F351 HydrophobicContact CB-CD2 4.1Å; P305-F351 HydrophobicContact CB-CE1 4.37Å; P305-F351 HydrophobicContact CB-CE2 4.19Å; P305-F351 HydrophobicContact CB-CG 4.14Å; P305-F351 HydrophobicContact CB-CZ 4.32Å; P347-F351 HydrophobicContact CB-CB 4.13Å; P347-F351 HydrophobicContact CB-CD1 3.42Å; P347-F351 VanDerWaalsContact CB-CD1 3.42Å; P347-F351 HydrophobicContact CB-CE1 4.06Å; P347-F351 HydrophobicContact CB-CG 3.99Å; P347-F351 HydrophobicContact CG-CD1 3.6Å; P347-F351 HydrophobicContact CG-CE1 4.1Å; S348-F351 WeakPolarHBondContact O-CB 3.44Å; S348-F351 PolarHBondContact O-N 3.02Å; S348-F351 WeakPolarHBondContact OG-CB 3.38Å; S348-F351 PolarHBondContact OG-N 2.75Å; S348-F351 VanDerWaalsContact OG-N 3.13Å; F351-A353 VanDerWaalsContact C-N 3.34Å; F351-A353 PolarHBondContact O-N 2.76Å; F351-L354 WeakPolarHBondContact O-CB 3.39Å; F351-L354 PolarHBondContact O-N 3.3Å; F351-L354 VanDerWaalsContact O-N 3.13Å; F351-I355 HydrophobicContact CD1-CG1 3.86Å; F351-I355 HydrophobicContact CD2-CG1 4.43Å; F351-I355 HydrophobicContact CE1-CD1 4.13Å; F351-I355 HydrophobicContact CE1-CG1 3.52Å; F351-I355 HydrophobicContact CE2-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CG1 4.13Å; F351-I355 HydrophobicContact CG-CG1 4.33Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 3.67Å; F351-I355 WeakPolarHBondContact O-CG1 3.32Å; F351-I355 PolarHBondContact O-N 3.28Å
352	K	97.2	Very high	96.6	Very high	28 Å²	28	32.5 Å²	32.5	12%	0.122	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-47.7	176	-61.8	172	-153.2	157.8	0	111.2	W195 P347 S348 D349 L354 I355 D356 V501	W195-K352 HydrophobicContact CZ2-CG 4.48Å; P347-K352 HydrophobicContact CG-CG 3.99Å; P347-K352 WeakPolarHBondContact O-CE 3.32Å; P347-K352 PolarHBondContact O-NZ 2.74Å; S348-K352 WeakPolarHBondContact O-CG 3Å; S348-K352 PolarHBondContact O-N 2.92Å; D349-K352 PolarHBondContact O-N 3.31Å; D349-K352 IonicContact OD1-NZ 2.93Å; D349-K352 PolarHBondContact OD1-NZ 3.19Å; K352-L354 PolarHBondContact O-N 3.19Å; K352-I355 PolarHBondContact O-N 3.36Å; K352-D356 VanDerWaalsContact O-CB 3.22Å; K352-D356 WeakPolarHBondContact O-CB 3.49Å; K352-D356 PolarHBondContact O-N 3.42Å; K352-D356 VanDerWaalsContact O-OD2 3.14Å; K352-V501 HydrophobicContact CB-CG1 4.5Å
353	A	97.5	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.3	-33.1	177.2	0	0	0	0	0	112.8	D349 S350 F351 R406 H460 L473 V499 V501	D349-A353 VanDerWaalsContact O-CB 3.31Å; D349-A353 WeakPolarHBondContact O-CB 3.14Å; D349-A353 PolarHBondContact O-N 3.15Å; S350-A353 PolarHBondContact O-N 3Å; F351-A353 VanDerWaalsContact C-N 3.34Å; F351-A353 PolarHBondContact O-N 2.76Å; A353-R406 VanDerWaalsContact O-CZ 3.23Å; A353-R406 PolarHBondContact O-NH1 2.95Å; A353-R406 PolarHBondContact O-NH2 3.45Å; A353-H460 HydrophobicContact CB-CB 4.5Å; A353-H460 WeakPolarHBondContact CB-CD2 3.35Å; A353-L473 HydrophobicContact CB-CD2 4.12Å; A353-V499 HydrophobicContact CB-CG1 3.86Å; A353-V501 HydrophobicContact CB-CG1 4.03Å
354	L	98.2	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-57.8	171.3	177.1	66.6	0	0	0	111.4	L184 F193 F303 S350 F351 K352 D356 M357 L473	L184-L354 HydrophobicContact CD1-CD1 3.85Å; L184-L354 HydrophobicContact CD2-CD1 4.16Å; F193-L354 HydrophobicContact CE1-CD1 4.01Å; F193-L354 HydrophobicContact CE1-CG 4.25Å; F193-L354 HydrophobicContact CE2-CD1 4.13Å; F193-L354 HydrophobicContact CE2-CG 4.13Å; F193-L354 VanDerWaalsContact CE2-O 3.23Å; F193-L354 WeakPolarHBondContact CE2-O 3.37Å; F193-L354 HydrophobicContact CZ-CD1 3.52Å; F193-L354 HydrophobicContact CZ-CG 3.9Å; F303-L354 HydrophobicContact CB-CD2 4.27Å; F303-L354 HydrophobicContact CD1-CD2 3.5Å; F303-L354 VanDerWaalsContact CD1-CD2 3.5Å; F303-L354 HydrophobicContact CE1-CD1 4.44Å; F303-L354 HydrophobicContact CE1-CD2 3.93Å; F303-L354 HydrophobicContact CG-CD2 3.97Å; S350-L354 PolarHBondContact O-N 3.1Å; F351-L354 WeakPolarHBondContact O-CB 3.39Å; F351-L354 PolarHBondContact O-N 3.3Å; F351-L354 VanDerWaalsContact O-N 3.13Å; K352-L354 PolarHBondContact O-N 3.19Å; L354-D356 VanDerWaalsContact C-N 3.28Å; L354-D356 PolarHBondContact O-N 3.12Å; L354-M357 VanDerWaalsContact O-CB 3.27Å; L354-M357 WeakPolarHBondContact O-CB 3.23Å; L354-M357 PolarHBondContact O-N 3.13Å; L354-M357 VanDerWaalsContact O-N 3.11Å; L354-L473 HydrophobicContact CD1-CD1 4.29Å
355	I	97.9	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-35	-173.4	-51.8	-61	0	0	0	111.9	F193 W195 F283 F351 K352 M357 A358	F193-I355 HydrophobicContact CB-CD1 3.57Å; F193-I355 HydrophobicContact CD2-CD1 4.02Å; F193-I355 HydrophobicContact CG-CD1 3.92Å; W195-I355 HydrophobicContact CD2-CB 4.38Å; W195-I355 HydrophobicContact CD2-CG2 3.58Å; W195-I355 HydrophobicContact CE3-CG2 4.19Å; W195-I355 HydrophobicContact CG-CG2 3.84Å; W195-I355 HydrophobicContact CH2-CB 4.43Å; W195-I355 HydrophobicContact CH2-CG1 4.41Å; W195-I355 HydrophobicContact CH2-CG2 4.45Å; W195-I355 HydrophobicContact CZ2-CB 3.74Å; W195-I355 HydrophobicContact CZ2-CG1 4.15Å; W195-I355 HydrophobicContact CZ2-CG2 3.88Å; F283-I355 HydrophobicContact CE1-CD1 3.9Å; F351-I355 HydrophobicContact CD1-CG1 3.86Å; F351-I355 HydrophobicContact CD2-CG1 4.43Å; F351-I355 HydrophobicContact CE1-CD1 4.13Å; F351-I355 HydrophobicContact CE1-CG1 3.52Å; F351-I355 HydrophobicContact CE2-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CG1 4.13Å; F351-I355 HydrophobicContact CG-CG1 4.33Å; F351-I355 HydrophobicContact CZ-CD1 3.73Å; F351-I355 HydrophobicContact CZ-CG1 3.67Å; F351-I355 WeakPolarHBondContact O-CG1 3.32Å; F351-I355 PolarHBondContact O-N 3.28Å; K352-I355 PolarHBondContact O-N 3.36Å; I355-M357 PolarHBondContact O-N 3.44Å; I355-M357 VanDerWaalsContact O-N 3.08Å; I355-A358 WeakPolarHBondContact O-CB 3.36Å; I355-A358 PolarHBondContact O-N 2.98Å
356	D	97.1	Very high	96.9	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.043	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-62.8	-15.5	178.7	-70.3	-17.5	0	0	0	113.6	W195 K352 L354 A358 A359 W443 R447	W195-D356 PolarHBondContact NE1-OD1 3Å; K352-D356 VanDerWaalsContact O-CB 3.22Å; K352-D356 WeakPolarHBondContact O-CB 3.49Å; K352-D356 PolarHBondContact O-N 3.42Å; K352-D356 VanDerWaalsContact O-OD2 3.14Å; L354-D356 VanDerWaalsContact C-N 3.28Å; L354-D356 PolarHBondContact O-N 3.12Å; D356-A358 PolarHBondContact O-N 3.35Å; D356-A359 WeakPolarHBondContact O-CB 3.3Å; D356-A359 PolarHBondContact O-N 2.74Å; D356-W443 HydrophobicContact CB-CB 3.82Å; D356-W443 HydrophobicContact CB-CG 4.27Å; D356-W443 WeakPolarHBondContact OD1-CB 3.35Å; D356-R447 IonicContact OD1-CZ 2.68Å; D356-R447 IonicContact OD1-NE 2.7Å; D356-R447 PolarHBondContact OD1-NE 2.88Å; D356-R447 IonicContact OD1-NH2 2.73Å; D356-R447 IonicContact OD2-CZ 2.99Å; D356-R447 VanDerWaalsContact OD2-CZ 3.27Å; D356-R447 IonicContact OD2-NE 2.67Å; D356-R447 PolarHBondContact OD2-NE 2.83Å; D356-R447 IonicContact OD2-NH2 3.34Å; D356-R447 PolarHBondContact OD2-NH2 3.44Å
357	M	96.4	Very high	97	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.034	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32.3	169.9	-175.8	-179	71.4	0	0	111.4	L184 P189 F193 L354 I355 A359 R365 Q469	L184-M357 HydrophobicContact CD2-CE 4.13Å; P189-M357 HydrophobicContact CB-CE 3.9Å; P189-M357 HydrophobicContact CB-SD 4.18Å; P189-M357 HydrophobicContact CG-SD 4.38Å; F193-M357 HydrophobicContact CE2-CB 4.35Å; F193-M357 HydrophobicContact CE2-CE 3.7Å; F193-M357 HydrophobicContact CZ-CE 3.42Å; F193-M357 VanDerWaalsContact CZ-CE 3.42Å; L354-M357 VanDerWaalsContact O-CB 3.27Å; L354-M357 WeakPolarHBondContact O-CB 3.23Å; L354-M357 PolarHBondContact O-N 3.13Å; L354-M357 VanDerWaalsContact O-N 3.11Å; I355-M357 PolarHBondContact O-N 3.44Å; I355-M357 VanDerWaalsContact O-N 3.08Å; M357-A359 VanDerWaalsContact C-N 3.3Å; M357-R365 WeakPolarHBondContact O-CD 3.48Å; M357-R365 PolarHBondContact O-NE 3.45Å; M357-Q469 HydrophobicContact SD-CB 4.24Å; M357-Q469 HydrophobicContact SD-CG 3.73Å
358	A	96.1	Very high	97	Very high	31 Å²	31	19 Å²	19	26%	0.256	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-83.4	-2.4	178	0	0	0	0	0	113.8	F193 I355 D356 V360	F193-A358 HydrophobicContact CD2-CB 4.34Å; F193-A358 WeakPolarHBondContact O-CB 3.38Å; I355-A358 WeakPolarHBondContact O-CB 3.36Å; I355-A358 PolarHBondContact O-N 2.98Å; D356-A358 PolarHBondContact O-N 3.35Å; A358-V360 PolarHBondContact O-N 2.94Å
359	A	95	Very high	97.1	Very high	16 Å²	16	18.8 Å²	18.8	13%	0.132	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.2	167.3	0	0	0	0	0	111.8	D356 M357 I442 W443 E446	D356-A359 WeakPolarHBondContact O-CB 3.3Å; D356-A359 PolarHBondContact O-N 2.74Å; M357-A359 VanDerWaalsContact C-N 3.3Å; A359-I442 HydrophobicContact CB-CG2 4.03Å; A359-W443 HydrophobicContact CB-CB 4.18Å; A359-E446 HydrophobicContact CB-CB 3.97Å; A359-E446 HydrophobicContact CB-CG 3.81Å
360	V	95.7	Very high	97.2	Very high	15 Å²	15	16.6 Å²	16.6	9%	0.091	9%	0.093	C	C	.	.	S	Bend	trans	-110.2	122.8	167.1	-172.1	0	0	0	0	109.3	A358 C364 R365 I368 I442	A358-V360 PolarHBondContact O-N 2.94Å; V360-C364 HydrophobicContact CG1-CB 3.72Å; V360-C364 WeakPolarHBondContact CG1-SG 3.38Å; V360-R365 HydrophobicContact CB-CG 3.73Å; V360-R365 HydrophobicContact CG1-CG 3.57Å; V360-R365 WeakPolarHBondContact O-CD 3.36Å; V360-R365 PolarHBondContact O-NE 2.99Å; V360-I368 HydrophobicContact CG1-CD1 4.26Å; V360-I442 HydrophobicContact CG2-CD1 4.18Å; V360-I442 HydrophobicContact CG2-CG2 3.56Å
361	H	95.4	Very high	97.2	Very high	78 Å²	78	13.8 Å²	13.8	36%	0.361	7%	0.073	S	C	.	.			trans	-53.7	141.9	177.9	-166.5	-92.5	0	0	0	111.3	D120 F121 S363 C364 R365	D120-H361 IonicContact OD1-CE1 3.67Å; D120-H361 PolarHBondContact OD1-CE1 3.18Å; D120-H361 IonicContact OD1-ND1 3.1Å; D120-H361 PolarHBondContact OD1-ND1 3.28Å; D120-H361 IonicContact OD2-CE1 3.46Å; D120-H361 PolarHBondContact OD2-CE1 3.07Å; F121-H361 HydrophobicContact CB-CB 3.74Å; H361-S363 PolarHBondContact CE1-OG 3.3Å; H361-S363 WeakPolarHBondContact ND1-CB 3.26Å; H361-S363 PolarHBondContact ND1-N 3.09Å; H361-S363 PolarHBondContact ND1-OG 3.02Å; H361-S363 PolarHBondContact O-N 3.4Å; H361-S363 VanDerWaalsContact O-N 3.16Å; H361-C364 PolarHBondContact O-N 2.84Å; H361-R365 PolarHBondContact O-N 3.25Å
362	S	96	Very high	97.2	Very high	15 Å²	15	14.3 Å²	14.3	11%	0.105	8%	0.077	C	C	.	.	H	α-helix	trans	-55.1	-37.5	-175.7	61.8	0	0	0	0	113.2	R365 L366	S362-R365 PolarHBondContact O-N 2.72Å; S362-L366 PolarHBondContact O-N 3.3Å
363	S	96.8	Very high	97.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-39.9	174.3	-54.8	0	0	0	0	113.3	D120 H361 L366 C367	D120-S363 WeakPolarHBondContact OD1-CB 3.44Å; D120-S363 PolarHBondContact OD1-OG 2.74Å; D120-S363 PolarHBondContact OD2-OG 3.01Å; D120-S363 VanDerWaalsContact OD2-OG 3.14Å; H361-S363 PolarHBondContact CE1-OG 3.3Å; H361-S363 WeakPolarHBondContact ND1-CB 3.26Å; H361-S363 PolarHBondContact ND1-N 3.09Å; H361-S363 PolarHBondContact ND1-OG 3.02Å; H361-S363 PolarHBondContact O-N 3.4Å; H361-S363 VanDerWaalsContact O-N 3.16Å; S363-L366 WeakPolarHBondContact O-CB 3.17Å; S363-L366 PolarHBondContact O-N 2.99Å; S363-C367 PolarHBondContact O-N 3Å; S363-C367 PolarHBondContact O-SG 2.92Å
364	C	97.3	Very high	97.2	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.02	10%	0.098	C	C	.	.	H	α-helix	trans	-67.8	-40.4	173.5	169.1	0	0	0	0	111.1	F121 C124 V360 H361 L366 C367 I368	F121-C364 HydrophobicContact CD2-CB 4.22Å; F121-C364 HydrophobicContact CE2-CB 4.34Å; F121-C364 HydrophobicContact CG-CB 4.36Å; C124-C364 WeakPolarHBondContact CA-SG 3.4Å; C124-C364 HydrophobicContact CB-CB 3.73Å; C124-C364 WeakPolarHBondContact CB-SG 3.23Å; C124-C364 WeakPolarHBondContact SG-CA 3.35Å; C124-C364 WeakPolarHBondContact SG-CB 3.46Å; C124-C364 PolarHBondContact SG-O 2.88Å; C124-C364 CovalentContact SG-SG 2.04Å; C124-C364 PolarHBondContact SG-SG 2.91Å; V360-C364 HydrophobicContact CG1-CB 3.72Å; V360-C364 WeakPolarHBondContact CG1-SG 3.38Å; H361-C364 PolarHBondContact O-N 2.84Å; C364-L366 PolarHBondContact O-N 3.34Å; C364-C367 WeakPolarHBondContact O-CB 3.3Å; C364-C367 PolarHBondContact O-N 2.96Å; C364-I368 WeakPolarHBondContact O-CG1 3.11Å; C364-I368 PolarHBondContact O-N 2.86Å
365	R	97.8	Very high	97.1	Very high	32 Å²	32	21.3 Å²	21.3	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-36.9	173.7	-67	-172.8	-73.8	109	-4.2	111.9	V188 P189 M357 V360 H361 S362 I368 F369	V188-R365 HydrophobicContact CG1-CB 3.75Å; P189-R365 PolarHBondContact O-NH1 3.13Å; P189-R365 PolarHBondContact O-NH2 3.45Å; M357-R365 WeakPolarHBondContact O-CD 3.48Å; M357-R365 PolarHBondContact O-NE 3.45Å; V360-R365 HydrophobicContact CB-CG 3.73Å; V360-R365 HydrophobicContact CG1-CG 3.57Å; V360-R365 WeakPolarHBondContact O-CD 3.36Å; V360-R365 PolarHBondContact O-NE 2.99Å; H361-R365 PolarHBondContact O-N 3.25Å; S362-R365 PolarHBondContact O-N 2.72Å; R365-I368 PolarHBondContact O-N 2.79Å; R365-F369 WeakPolarHBondContact O-CB 3.25Å; R365-F369 PolarHBondContact O-N 3.28Å
366	L	98.2	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-46.4	170.6	172.3	65.8	0	0	0	112.1	I114 F142 I153 I178 M180 S362 S363 C364 I368 F369 V370	I114-L366 HydrophobicContact CD1-CD2 4.49Å; I114-L366 HydrophobicContact CD1-CG 4.4Å; I114-L366 HydrophobicContact CG1-CD2 4.43Å; I114-L366 HydrophobicContact CG2-CD2 3.95Å; F142-L366 HydrophobicContact CE1-CD2 4.49Å; F142-L366 HydrophobicContact CE2-CD2 4.41Å; F142-L366 HydrophobicContact CZ-CD2 3.84Å; I153-L366 HydrophobicContact CD1-CD1 4.11Å; I153-L366 HydrophobicContact CD1-CD2 3.78Å; I153-L366 HydrophobicContact CD1-CG 4.47Å; I153-L366 HydrophobicContact CG1-CD1 4.37Å; I178-L366 HydrophobicContact CD1-CD1 3.9Å; I178-L366 HydrophobicContact CG2-CD1 3.89Å; M180-L366 HydrophobicContact CE-CB 4Å; M180-L366 HydrophobicContact CE-CD2 4.44Å; M180-L366 HydrophobicContact SD-CB 4.23Å; M180-L366 HydrophobicContact SD-CD1 3.96Å; M180-L366 HydrophobicContact SD-CD2 3.86Å; M180-L366 HydrophobicContact SD-CG 4.24Å; S362-L366 PolarHBondContact O-N 3.3Å; S363-L366 WeakPolarHBondContact O-CB 3.17Å; S363-L366 PolarHBondContact O-N 2.99Å; C364-L366 PolarHBondContact O-N 3.34Å; L366-I368 VanDerWaalsContact C-N 3.35Å; L366-I368 PolarHBondContact O-N 3.17Å; L366-F369 WeakPolarHBondContact O-CB 3.22Å; L366-F369 PolarHBondContact O-N 3.22Å; L366-V370 HydrophobicContact CD1-CG2 4.12Å; L366-V370 WeakPolarHBondContact O-CG2 3.02Å; L366-V370 PolarHBondContact O-N 3.41Å
367	C	98.1	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-44.5	176.6	-52.2	0	0	0	0	111.8	I112 V126 C128 S363 C364 F369 V370 A371	I112-C367 HydrophobicContact CG2-CB 4.36Å; V126-C367 HydrophobicContact CG1-CB 3.82Å; C128-C367 HydrophobicContact CB-CB 3.5Å; C128-C367 VanDerWaalsContact CB-CB 3.5Å; C128-C367 WeakPolarHBondContact CB-SG 3.38Å; C128-C367 WeakPolarHBondContact SG-CB 3.32Å; C128-C367 CovalentContact SG-SG 2.03Å; C128-C367 PolarHBondContact SG-SG 3.34Å; S363-C367 PolarHBondContact O-N 3Å; S363-C367 PolarHBondContact O-SG 2.92Å; C364-C367 WeakPolarHBondContact O-CB 3.3Å; C364-C367 PolarHBondContact O-N 2.96Å; C367-F369 VanDerWaalsContact C-N 3.3Å; C367-F369 PolarHBondContact O-N 3.26Å; C367-V370 PolarHBondContact O-N 2.55Å; C367-A371 VanDerWaalsContact O-CB 3.3Å; C367-A371 WeakPolarHBondContact O-CB 3.4Å; C367-A371 PolarHBondContact O-N 2.97Å
368	I	98.3	Very high	96.9	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-43	176.1	-65.4	164.3	0	0	0	110.5	S125 V126 V360 C364 R365 L366 T372 G407 F409	S125-I368 VanDerWaalsContact OG-CD1 3.3Å; S125-I368 WeakPolarHBondContact OG-CD1 3.38Å; V126-I368 HydrophobicContact CG1-CG1 3.93Å; V360-I368 HydrophobicContact CG1-CD1 4.26Å; C364-I368 WeakPolarHBondContact O-CG1 3.11Å; C364-I368 PolarHBondContact O-N 2.86Å; R365-I368 PolarHBondContact O-N 2.79Å; L366-I368 VanDerWaalsContact C-N 3.35Å; L366-I368 PolarHBondContact O-N 3.17Å; I368-T372 VanDerWaalsContact O-CB 3.26Å; I368-T372 WeakPolarHBondContact O-CB 3.26Å; I368-T372 PolarHBondContact O-N 3.14Å; I368-T372 PolarHBondContact O-OG1 3.4Å; I368-G407 WeakPolarHBondContact CD1-O 3.47Å; I368-F409 HydrophobicContact CG1-CB 4.43Å; I368-F409 HydrophobicContact CG2-CB 4.48Å; I368-F409 HydrophobicContact CG2-CD2 4.37Å
369	F	98.4	Very high	96.9	Very high	44 Å²	44	31.1 Å²	31.1	19%	0.193	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-48.2	178.4	-177.4	-92.2	0	0	0	111.9	I178 D187 V188 R365 L366 C367 T372 R373	I178-F369 HydrophobicContact CD1-CD1 4.01Å; I178-F369 HydrophobicContact CD1-CE1 4.09Å; I178-F369 HydrophobicContact CG1-CD1 4.39Å; I178-F369 HydrophobicContact CG1-CE1 4.01Å; I178-F369 HydrophobicContact CG2-CD1 4.35Å; I178-F369 HydrophobicContact CG2-CE1 4.24Å; D187-F369 HydrophobicContact CB-CE1 4.04Å; D187-F369 HydrophobicContact CB-CE2 3.88Å; D187-F369 HydrophobicContact CB-CZ 3.54Å; V188-F369 HydrophobicContact CG2-CB 3.69Å; V188-F369 HydrophobicContact CG2-CD1 4.21Å; V188-F369 HydrophobicContact CG2-CD2 4Å; V188-F369 HydrophobicContact CG2-CG 3.7Å; R365-F369 WeakPolarHBondContact O-CB 3.25Å; R365-F369 PolarHBondContact O-N 3.28Å; L366-F369 WeakPolarHBondContact O-CB 3.22Å; L366-F369 PolarHBondContact O-N 3.22Å; C367-F369 VanDerWaalsContact C-N 3.3Å; C367-F369 PolarHBondContact O-N 3.26Å; F369-T372 PolarHBondContact O-N 2.76Å; F369-R373 HydrophobicContact CE1-CG 4.23Å; F369-R373 VanDerWaalsContact CE1-CZ 3.5Å; F369-R373 HydrophobicContact CZ-CG 4.46Å; F369-R373 VanDerWaalsContact CZ-CZ 3.41Å; F369-R373 VanDerWaalsContact CZ-NH2 3.34Å; F369-R373 PolarHBondContact O-N 2.67Å
370	V	98.2	Very high	96.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-47.4	177.5	174.1	0	0	0	0	110.9	I112 I114 D139 A140 I178 L366 C367 T372 R373 I374	I112-V370 HydrophobicContact CD1-CG1 4.28Å; I112-V370 HydrophobicContact CG2-CB 4.32Å; I112-V370 HydrophobicContact CG2-CG1 4.11Å; I114-V370 HydrophobicContact CD1-CG2 4Å; D139-V370 HydrophobicContact CB-CG1 3.85Å; A140-V370 HydrophobicContact CB-CG2 4.17Å; I178-V370 HydrophobicContact CD1-CG2 3.65Å; L366-V370 HydrophobicContact CD1-CG2 4.12Å; L366-V370 WeakPolarHBondContact O-CG2 3.02Å; L366-V370 PolarHBondContact O-N 3.41Å; C367-V370 PolarHBondContact O-N 2.55Å; V370-T372 VanDerWaalsContact C-N 3.27Å; V370-T372 PolarHBondContact O-N 2.89Å; V370-R373 PolarHBondContact O-N 2.85Å; V370-I374 HydrophobicContact CG1-CD1 3.98Å; V370-I374 WeakPolarHBondContact O-CG1 3.3Å; V370-I374 PolarHBondContact O-N 2.83Å
371	A	98.3	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-38.7	177	0	0	0	0	0	112.2	F107 I112 V126 C367 I374 R375 F409	F107-A371 HydrophobicContact CD2-CB 4.49Å; F107-A371 HydrophobicContact CE2-CB 4.07Å; F107-A371 HydrophobicContact CZ-CB 4.06Å; I112-A371 HydrophobicContact CD1-CB 3.83Å; I112-A371 HydrophobicContact CG1-CB 3.93Å; V126-A371 HydrophobicContact CG1-CB 4.4Å; V126-A371 HydrophobicContact CG2-CB 3.91Å; C367-A371 VanDerWaalsContact O-CB 3.3Å; C367-A371 WeakPolarHBondContact O-CB 3.4Å; C367-A371 PolarHBondContact O-N 2.97Å; A371-I374 PolarHBondContact O-N 2.91Å; A371-R375 PolarHBondContact O-N 3.25Å; A371-R375 VanDerWaalsContact O-N 3.1Å; A371-F409 HydrophobicContact CB-CD2 3.87Å; A371-F409 HydrophobicContact CB-CE1 4.37Å; A371-F409 HydrophobicContact CB-CE2 3.33Å; A371-F409 HydrophobicContact CB-CZ 3.59Å
372	T	97.9	Very high	96.8	Very high	13 Å²	13	37.5 Å²	37.5	8%	0.08	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-48	176.3	-59.7	0	0	0	0	110.4	I368 F369 V370 I374 R375 E376 R404 I465	I368-T372 VanDerWaalsContact O-CB 3.26Å; I368-T372 WeakPolarHBondContact O-CB 3.26Å; I368-T372 PolarHBondContact O-N 3.14Å; I368-T372 PolarHBondContact O-OG1 3.4Å; F369-T372 PolarHBondContact O-N 2.76Å; V370-T372 VanDerWaalsContact C-N 3.27Å; V370-T372 PolarHBondContact O-N 2.89Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 2.79Å; T372-R375 PolarHBondContact O-N 3.4Å; T372-E376 HydrophobicContact CG2-CG 4.31Å; T372-E376 WeakPolarHBondContact O-CG 3.41Å; T372-E376 PolarHBondContact O-N 3.02Å; T372-R404 PolarHBondContact OG1-NH1 3.48Å; T372-R404 PolarHBondContact OG1-NH2 2.88Å; T372-R404 VanDerWaalsContact OG1-NH2 3.09Å; T372-I465 HydrophobicContact CG2-CD1 3.7Å; T372-I465 HydrophobicContact CG2-CG1 4.33Å
373	R	97	Very high	96.6	Very high	86 Å²	86	42.5 Å²	42.5	33%	0.325	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-37.3	177.1	-81	-157.6	174.2	160.6	3.9	113.2	D177 D187 F369 V370 Q377	D177-R373 PolarHBondContact O-NH1 3.24Å; D187-R373 IonicContact OD1-NH2 3.22Å; D187-R373 PolarHBondContact OD1-NH2 2.82Å; F369-R373 HydrophobicContact CE1-CG 4.23Å; F369-R373 VanDerWaalsContact CE1-CZ 3.5Å; F369-R373 HydrophobicContact CZ-CG 4.46Å; F369-R373 VanDerWaalsContact CZ-CZ 3.41Å; F369-R373 VanDerWaalsContact CZ-NH2 3.34Å; F369-R373 PolarHBondContact O-N 2.67Å; V370-R373 PolarHBondContact O-N 2.85Å; R373-Q377 WeakPolarHBondContact O-CB 3.43Å; R373-Q377 PolarHBondContact O-N 3.1Å
374	I	97.1	Very high	96.5	Very high	46 Å²	46	42.7 Å²	42.7	24%	0.236	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-50	175.1	-69.7	166.1	0	0	0	110	F107 I112 V370 A371 T372 Q377 E378	F107-I374 HydrophobicContact CE1-CD1 4.22Å; F107-I374 HydrophobicContact CZ-CB 4.29Å; F107-I374 HydrophobicContact CZ-CD1 4.42Å; F107-I374 HydrophobicContact CZ-CG2 4.04Å; I112-I374 HydrophobicContact CD1-CD1 3.76Å; V370-I374 HydrophobicContact CG1-CD1 3.98Å; V370-I374 WeakPolarHBondContact O-CG1 3.3Å; V370-I374 PolarHBondContact O-N 2.83Å; A371-I374 PolarHBondContact O-N 2.91Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 2.79Å; I374-Q377 PolarHBondContact O-N 3.49Å; I374-E378 PolarHBondContact O-N 2.88Å; I374-E378 VanDerWaalsContact O-N 3.12Å
375	R	96.4	Very high	96.3	Very high	43 Å²	43	49.5 Å²	49.5	16%	0.162	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-46	177.5	-74.2	-168.5	170.3	165.3	-0.5	112.3	Y103 F107 A371 T372 Q377 E378 E379 F409 D410	Y103-R375 HydrophobicContact CD1-CB 4.19Å; Y103-R375 HydrophobicContact CD1-CG 3.76Å; Y103-R375 HydrophobicContact CE1-CB 3.74Å; Y103-R375 HydrophobicContact CE1-CG 3.68Å; Y103-R375 HydrophobicContact CG-CG 4.32Å; F107-R375 HydrophobicContact CE2-CG 4.32Å; A371-R375 PolarHBondContact O-N 3.25Å; A371-R375 VanDerWaalsContact O-N 3.1Å; T372-R375 PolarHBondContact O-N 3.4Å; R375-Q377 VanDerWaalsContact C-N 3.25Å; R375-Q377 PolarHBondContact O-N 2.99Å; R375-E378 PolarHBondContact O-N 2.65Å; R375-E378 VanDerWaalsContact O-N 3.14Å; R375-E379 WeakPolarHBondContact O-CB 3.42Å; R375-E379 VanDerWaalsContact O-CG 3.25Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 2.85Å; R375-F409 HydrophobicContact CG-CZ 4.16Å; R375-F409 VanDerWaalsContact NE-CZ 3.31Å; R375-F409 VanDerWaalsContact NH1-CZ 3.32Å; R375-F409 VanDerWaalsContact NH2-CE1 3.32Å; R375-D410 IonicContact NH1-OD1 3.25Å
376	E	95.4	Very high	96	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-33.6	177.8	-73.5	179.8	153.9	0	0	113.1	T372	T372-E376 HydrophobicContact CG2-CG 4.31Å; T372-E376 WeakPolarHBondContact O-CG 3.41Å; T372-E376 PolarHBondContact O-N 3.02Å
377	Q	95.6	Very high	95.8	Very high	121 Å²	121	59.1 Å²	59.1	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-71	-41.3	175.9	-176.8	59.4	22.3	0	0	111.5	R373 I374 R375 E379 K380	R373-Q377 WeakPolarHBondContact O-CB 3.43Å; R373-Q377 PolarHBondContact O-N 3.1Å; I374-Q377 PolarHBondContact O-N 3.49Å; R375-Q377 VanDerWaalsContact C-N 3.25Å; R375-Q377 PolarHBondContact O-N 2.99Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; Q377-K380 WeakPolarHBondContact O-CB 3.45Å; Q377-K380 PolarHBondContact O-N 3.39Å
378	E	96.1	Very high	95.7	Very high	38 Å²	38	61.6 Å²	61.6	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-37.5	176.5	-170.2	178.3	159.7	0	0	112.2	Y103 S104 I374 R375 K380 S381 F384	Y103-E378 WeakPolarHBondContact CA-OE1 3.23Å; S104-E378 WeakPolarHBondContact CB-OE1 3.41Å; S104-E378 PolarHBondContact N-OE1 3.24Å; S104-E378 PolarHBondContact N-OE2 3.44Å; S104-E378 VanDerWaalsContact OG-CD 3.22Å; S104-E378 PolarHBondContact OG-OE1 3.04Å; S104-E378 PolarHBondContact OG-OE2 3.37Å; I374-E378 PolarHBondContact O-N 2.88Å; I374-E378 VanDerWaalsContact O-N 3.12Å; R375-E378 PolarHBondContact O-N 2.65Å; R375-E378 VanDerWaalsContact O-N 3.14Å; E378-K380 PolarHBondContact O-N 3.42Å; E378-K380 VanDerWaalsContact O-N 3.08Å; E378-S381 WeakPolarHBondContact O-CB 3Å; E378-S381 PolarHBondContact O-N 3.28Å; E378-S381 PolarHBondContact O-OG 2.86Å; E378-F384 HydrophobicContact CG-CE2 3.87Å; E378-F384 HydrophobicContact CG-CZ 4.48Å
379	E	95.6	Very high	95.7	Very high	31 Å²	31	61.5 Å²	61.5	15%	0.145	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.4	179.5	-76.8	161.7	-146.4	0	0	114.5	Y103 R375 Q377 S381 F384 K495	Y103-E379 HydrophobicContact CE1-CG 4.03Å; Y103-E379 VanDerWaalsContact CE1-OE1 3.3Å; Y103-E379 WeakPolarHBondContact CE1-OE1 3.39Å; Y103-E379 PolarHBondContact OH-OE1 2.97Å; R375-E379 WeakPolarHBondContact O-CB 3.42Å; R375-E379 VanDerWaalsContact O-CG 3.25Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 2.85Å; Q377-E379 VanDerWaalsContact C-N 3.34Å; E379-S381 PolarHBondContact O-N 3.24Å; E379-F384 HydrophobicContact CB-CB 4.28Å; E379-F384 HydrophobicContact CB-CD1 4.31Å; E379-F384 HydrophobicContact CB-CG 4.26Å; E379-F384 HydrophobicContact CG-CB 4.37Å; E379-F384 HydrophobicContact CG-CD1 3.51Å; E379-F384 HydrophobicContact CG-CE1 3.8Å; E379-F384 HydrophobicContact CG-CG 3.92Å; E379-F384 HydrophobicContact CG-CZ 4.44Å; E379-F384 WeakPolarHBondContact O-CB 3.35Å; E379-K495 IonicContact OE1-NZ 3.52Å; E379-K495 PolarHBondContact OE1-NZ 3.16Å; E379-K495 WeakPolarHBondContact OE2-CE 3.38Å; E379-K495 IonicContact OE2-NZ 3.98Å; E379-K495 PolarHBondContact OE2-NZ 3.33Å
380	K	95.3	Very high	95.6	Very high	121 Å²	121	64.6 Å²	64.6	53%	0.526	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.7	171.4	-65.7	171.4	-171.5	169.4	0	112.5	Q377 E378 K385	Q377-K380 WeakPolarHBondContact O-CB 3.45Å; Q377-K380 PolarHBondContact O-N 3.39Å; E378-K380 PolarHBondContact O-N 3.42Å; E378-K380 VanDerWaalsContact O-N 3.08Å; K380-K385 WeakPolarHBondContact O-CD 3.29Å; K380-K385 WeakPolarHBondContact O-CE 3.45Å; K380-K385 PolarHBondContact O-NZ 3.41Å
381	S	95.8	Very high	95.5	Very high	37 Å²	37	65.1 Å²	65.1	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-68.7	158.8	179.8	69.4	0	0	0	0	112.6	E378 E379 E383 F384 K385	E378-S381 WeakPolarHBondContact O-CB 3Å; E378-S381 PolarHBondContact O-N 3.28Å; E378-S381 PolarHBondContact O-OG 2.86Å; E379-S381 PolarHBondContact O-N 3.24Å; S381-E383 VanDerWaalsContact C-N 3.27Å; S381-E383 PolarHBondContact O-N 2.78Å; S381-F384 PolarHBondContact O-N 3.45Å; S381-F384 WeakPolarHBondContact OG-CD2 3.48Å; S381-K385 WeakPolarHBondContact O-CG 3.24Å; S381-K385 PolarHBondContact O-N 3.11Å
382	P	93.6	Very high	95.4	Very high	84 Å²	84	69.2 Å²	69.2	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-31.6	-178.1	-25.7	35.7	0	0	0	114.5	K385 R386	P382-K385 PolarHBondContact O-N 3.39Å; P382-R386 WeakPolarHBondContact O-CG 3.38Å; P382-R386 PolarHBondContact O-N 2.97Å; P382-R386 VanDerWaalsContact O-N 3.12Å
383	E	91.7	Very high	95	Very high	121 Å²	121	73.9 Å²	73.9	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-50.9	-179	-174.6	174.1	179.7	0	0	111.3	V101 S381 K385 R386	V101-E383 HydrophobicContact CG1-CG 3.9Å; V101-E383 HydrophobicContact CG2-CG 4.48Å; S381-E383 VanDerWaalsContact C-N 3.27Å; S381-E383 PolarHBondContact O-N 2.78Å; E383-K385 VanDerWaalsContact C-N 3.34Å; E383-K385 PolarHBondContact O-N 2.96Å; E383-R386 PolarHBondContact O-N 3.32Å
384	F	94.1	Very high	94.5	Very high	5 Å²	5	73.6 Å²	73.6	2%	0.022	37%	0.368	C	S	.	.	H	α-helix	trans	-68.3	-31.9	177.9	-75.1	-93.7	0	0	0	113.2	V101 Y103 E378 E379 S381 R386 R387	V101-F384 HydrophobicContact CB-CD1 4.05Å; V101-F384 HydrophobicContact CB-CE1 3.76Å; V101-F384 HydrophobicContact CB-CZ 4.04Å; V101-F384 HydrophobicContact CG1-CD1 3.97Å; V101-F384 HydrophobicContact CG1-CD2 3.87Å; V101-F384 HydrophobicContact CG1-CE1 3.61Å; V101-F384 HydrophobicContact CG1-CE2 3.5Å; V101-F384 HydrophobicContact CG1-CG 4.12Å; V101-F384 HydrophobicContact CG1-CZ 3.37Å; Y103-F384 HydrophobicContact CD1-CE1 4.01Å; Y103-F384 AromaticContact CD1-CZ 3.56Å; Y103-F384 HydrophobicContact CD1-CZ 3.56Å; Y103-F384 AromaticContact CE1-CE1 3.52Å; Y103-F384 HydrophobicContact CE1-CE1 3.52Å; Y103-F384 AromaticContact CE1-CZ 3.57Å; Y103-F384 HydrophobicContact CE1-CZ 3.57Å; Y103-F384 HydrophobicContact CE2-CE1 4.42Å; Y103-F384 HydrophobicContact CG-CZ 4.16Å; Y103-F384 AromaticContact CZ-CE1 3.75Å; E378-F384 HydrophobicContact CG-CE2 3.87Å; E378-F384 HydrophobicContact CG-CZ 4.48Å; E379-F384 HydrophobicContact CB-CB 4.28Å; E379-F384 HydrophobicContact CB-CD1 4.31Å; E379-F384 HydrophobicContact CB-CG 4.26Å; E379-F384 HydrophobicContact CG-CB 4.37Å; E379-F384 HydrophobicContact CG-CD1 3.51Å; E379-F384 HydrophobicContact CG-CE1 3.8Å; E379-F384 HydrophobicContact CG-CG 3.92Å; E379-F384 HydrophobicContact CG-CZ 4.44Å; E379-F384 WeakPolarHBondContact O-CB 3.35Å; S381-F384 PolarHBondContact O-N 3.45Å; S381-F384 WeakPolarHBondContact OG-CD2 3.48Å; F384-R386 VanDerWaalsContact C-N 3.33Å; F384-R387 WeakPolarHBondContact O-CG 3.17Å; F384-R387 PolarHBondContact O-NE 2.76Å
385	K	92.4	Very high	94	Very high	146 Å²	146	77.2 Å²	77.2	64%	0.635	40%	0.397	S	S	*	.	H	α-helix	trans	-73.5	-19.9	178.5	-76	178.3	171.4	162.6	0	114.2	K380 S381 P382 E383	K380-K385 WeakPolarHBondContact O-CD 3.29Å; K380-K385 WeakPolarHBondContact O-CE 3.45Å; K380-K385 PolarHBondContact O-NZ 3.41Å; S381-K385 WeakPolarHBondContact O-CG 3.24Å; S381-K385 PolarHBondContact O-N 3.11Å; P382-K385 PolarHBondContact O-N 3.39Å; E383-K385 VanDerWaalsContact C-N 3.34Å; E383-K385 PolarHBondContact O-N 2.96Å
386	R	92.7	Very high	93.7	Very high	205 Å²	205	79.3 Å²	79.3	77%	0.774	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.3	180	-75.8	171.8	-174.7	-178.5	3	113.7	P382 E383 F384	P382-R386 WeakPolarHBondContact O-CG 3.38Å; P382-R386 PolarHBondContact O-N 2.97Å; P382-R386 VanDerWaalsContact O-N 3.12Å; E383-R386 PolarHBondContact O-N 3.32Å; F384-R386 VanDerWaalsContact C-N 3.33Å
387	R	94.8	Very high	93.7	Very high	28 Å²	28	77.3 Å²	77.3	11%	0.106	40%	0.401	C	S	.	.			trans	-58.6	131.7	178	-69.8	-175.1	-67.4	171.7	2.1	111	D99 V101 F384 C389	D99-R387 WeakPolarHBondContact O-CD 3.39Å; V101-R387 HydrophobicContact CG2-CG 3.79Å; F384-R387 WeakPolarHBondContact O-CG 3.17Å; F384-R387 PolarHBondContact O-NE 2.76Å; R387-C389 PolarHBondContact O-N 2.87Å
388	P	95.8	Very high	93.7	Very high	53 Å²	53	71.7 Å²	71.7	34%	0.344	38%	0.375	S	S	.	.			trans	-56.4	-43.1	178.3	-30	36.4	0	0	0	114.5	W94 L95 V98 D99 K390	W94-P388 HydrophobicContact CH2-CB 3.76Å; W94-P388 HydrophobicContact CH2-CG 3.7Å; W94-P388 HydrophobicContact CZ2-CG 4.4Å; W94-P388 HydrophobicContact CZ3-CB 3.98Å; W94-P388 HydrophobicContact CZ3-CG 4.31Å; L95-P388 HydrophobicContact CD2-CB 4.35Å; V98-P388 HydrophobicContact CG2-CB 4.42Å; V98-P388 HydrophobicContact CG2-CG 3.8Å; D99-P388 WeakPolarHBondContact OD1-CD 3.29Å; D99-P388 VanDerWaalsContact OD1-N 3.15Å; P388-K390 PolarHBondContact O-N 3.08Å
389	C	97.3	Very high	93.8	Very high	7 Å²	7	70.7 Å²	70.7	5%	0.047	37%	0.37	C	S	.	.			trans	55.2	-0.8	-178.9	-56.7	0	0	0	0	116.4	D99 R387 H400 P492 C493	D99-C389 PolarHBondContact OD1-N 3.06Å; D99-C389 WeakPolarHBondContact OD2-CA 3.45Å; D99-C389 PolarHBondContact OD2-N 2.85Å; R387-C389 PolarHBondContact O-N 2.87Å; C389-H400 PolarHBondContact O-N 2.96Å; C389-P492 HydrophobicContact CB-CB 3.9Å; C389-P492 VanDerWaalsContact SG-C 3.59Å; C389-C493 VanDerWaalsContact CA-SG 3.59Å; C389-C493 HydrophobicContact CB-CB 3.96Å; C389-C493 WeakPolarHBondContact CB-SG 3.45Å; C389-C493 WeakPolarHBondContact SG-CB 3.3Å; C389-C493 PolarHBondContact SG-N 3.38Å; C389-C493 CovalentContact SG-SG 2.03Å; C389-C493 PolarHBondContact SG-SG 2.95Å
390	K	96.8	Very high	93.9	Very high	109 Å²	109	69.2 Å²	69.2	47%	0.474	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	152.2	174.6	65.9	-178.5	-178.6	-179.5	0	110.6	P388 T397 V398 Y399	P388-K390 PolarHBondContact O-N 3.08Å; K390-T397 HydrophobicContact CB-CG2 4.22Å; K390-T397 HydrophobicContact CD-CG2 4.36Å; K390-V398 CarbonylContact C-O 3.56Å; K390-V398 WeakPolarHBondContact CA-O 3.29Å; K390-V398 WeakPolarHBondContact CB-O 3.14Å; K390-Y399 HydrophobicContact CB-CD1 4.03Å; K390-Y399 HydrophobicContact CB-CE1 4.41Å; K390-Y399 HydrophobicContact CD-CD1 4.41Å; K390-Y399 HydrophobicContact CD-CE1 4.03Å
391	C	96.5	Very high	94.1	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.9	180	177.6	0	0	0	0	108.7	C91 W94 L95 T397 V398	C91-C391 VanDerWaalsContact CA-SG 3.57Å; C91-C391 HydrophobicContact CB-CB 3.6Å; C91-C391 WeakPolarHBondContact CB-SG 3.4Å; C91-C391 WeakPolarHBondContact SG-CB 3.48Å; C91-C391 CovalentContact SG-SG 2.06Å; C91-C391 PolarHBondContact SG-SG 3.34Å; W94-C391 HydrophobicContact CE3-CB 4.03Å; W94-C391 HydrophobicContact CZ3-CB 4.04Å; L95-C391 HydrophobicContact CD1-CB 3.7Å; L95-C391 HydrophobicContact CD2-CB 4.15Å; L95-C391 HydrophobicContact CG-CB 3.88Å; C391-T397 CarbonylContact O-C 3.54Å; C391-T397 WeakPolarHBondContact O-CA 3.49Å; C391-V398 PolarHBondContact N-O 3.34Å; C391-V398 PolarHBondContact O-N 2.94Å
392	T	94.8	Very high	94.2	Very high	87 Å²	87	63.2 Å²	63.2	53%	0.534	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.5	177.5	-57	0	0	0	0	109.8	E396 T397	T392-E396 CarbonylContact C-O 3.41Å; T392-E396 WeakPolarHBondContact CA-O 3.16Å; T392-T397 WeakPolarHBondContact CG2-OG1 3.04Å; T392-T397 PolarHBondContact OG1-OG1 3.48Å
393	R	90.1	Very high	94.4	Very high	110 Å²	110	59.2 Å²	59.2	42%	0.415	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	114.1	173.6	-73.2	-171.8	176.7	-169.3	1.7	109.8	G87 S395 E396	G87-R393 PolarHBondContact O-NH1 3.21Å; R393-S395 PolarHBondContact O-N 2.97Å; R393-E396 PolarHBondContact N-O 2.87Å; R393-E396 PolarHBondContact O-N 3.23Å; R393-E396 VanDerWaalsContact O-N 3.16Å
394	G	87.5	Confident	94.7	Very high	80 Å²	80	53.9 Å²	53.9	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-125.1	-173.3	0	0	0	0	0	110.5
395	S	85.6	Confident	94.9	Very high	123 Å²	123	53.9 Å²	53.9	86%	0.86	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.2	176.6	56.2	0	0	0	0	114.2	R393	R393-S395 PolarHBondContact O-N 2.97Å
396	E	90.2	Very high	95.1	Very high	86 Å²	86	48.1 Å²	48.1	40%	0.402	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.9	-178	-65.6	-167.1	141	0	0	111.1	I88 T392 R393	I88-E396 WeakPolarHBondContact CD1-OE2 3.34Å; I88-E396 WeakPolarHBondContact CG1-OE2 3.39Å; T392-E396 CarbonylContact C-O 3.41Å; T392-E396 WeakPolarHBondContact CA-O 3.16Å; R393-E396 PolarHBondContact N-O 2.87Å; R393-E396 PolarHBondContact O-N 3.23Å; R393-E396 VanDerWaalsContact O-N 3.16Å
397	T	95.5	Very high	95.3	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.4	167.4	-61.6	0	0	0	0	109.5	K390 C391 T392 Y399 K417 D418	K390-T397 HydrophobicContact CB-CG2 4.22Å; K390-T397 HydrophobicContact CD-CG2 4.36Å; C391-T397 CarbonylContact O-C 3.54Å; C391-T397 WeakPolarHBondContact O-CA 3.49Å; T392-T397 WeakPolarHBondContact CG2-OG1 3.04Å; T392-T397 PolarHBondContact OG1-OG1 3.48Å; T397-Y399 HydrophobicContact CG2-CD2 4.3Å; T397-Y399 HydrophobicContact CG2-CE1 4.4Å; T397-Y399 HydrophobicContact CG2-CE2 3.79Å; T397-K417 CarbonylContact O-C 3.59Å; T397-K417 WeakPolarHBondContact O-CA 3.41Å; T397-D418 PolarHBondContact O-N 3.39Å
398	V	96.6	Very high	95.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.3	173.8	-178.4	0	0	0	0	107.9	I88 C91 Q92 L95 K390 C391 F415 L416 K417	I88-V398 HydrophobicContact CG2-CG2 4.48Å; C91-V398 HydrophobicContact CB-CB 4.43Å; C91-V398 HydrophobicContact CB-CG2 4.27Å; Q92-V398 HydrophobicContact CG-CG1 4.36Å; L95-V398 HydrophobicContact CD1-CB 4.48Å; L95-V398 HydrophobicContact CD1-CG1 4.28Å; K390-V398 CarbonylContact C-O 3.56Å; K390-V398 WeakPolarHBondContact CA-O 3.29Å; K390-V398 WeakPolarHBondContact CB-O 3.14Å; C391-V398 PolarHBondContact N-O 3.34Å; C391-V398 PolarHBondContact O-N 2.94Å; V398-F415 HydrophobicContact CG1-CB 3.92Å; V398-F415 HydrophobicContact CG1-CD1 4.12Å; V398-F415 HydrophobicContact CG1-CG 4.42Å; V398-L416 CarbonylContact C-O 3.58Å; V398-L416 WeakPolarHBondContact CA-O 3.42Å; V398-K417 HydrophobicContact CG2-CG 4.47Å
399	Y	97.8	Very high	95.5	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.6	175.6	-61.8	-95.4	0	0	0	109.4	K390 T397 L401 F415 L416 D418 L421 I488 Q489	K390-Y399 HydrophobicContact CB-CD1 4.03Å; K390-Y399 HydrophobicContact CB-CE1 4.41Å; K390-Y399 HydrophobicContact CD-CD1 4.41Å; K390-Y399 HydrophobicContact CD-CE1 4.03Å; T397-Y399 HydrophobicContact CG2-CD2 4.3Å; T397-Y399 HydrophobicContact CG2-CE1 4.4Å; T397-Y399 HydrophobicContact CG2-CE2 3.79Å; Y399-L401 WeakPolarHBondContact O-CD1 3.26Å; Y399-F415 VanDerWaalsContact O-CA 3.27Å; Y399-F415 WeakPolarHBondContact O-CA 3.38Å; Y399-L416 PolarHBondContact N-O 3.37Å; Y399-L416 PolarHBondContact O-N 2.84Å; Y399-L416 VanDerWaalsContact O-N 3.07Å; Y399-D418 HydrophobicContact CE2-CB 3.94Å; Y399-D418 VanDerWaalsContact CE2-OD1 3.25Å; Y399-D418 WeakPolarHBondContact CE2-OD1 3.49Å; Y399-D418 PolarHBondContact OH-OD1 2.99Å; Y399-L421 HydrophobicContact CD2-CD1 4.22Å; Y399-L421 HydrophobicContact CD2-CD2 3.85Å; Y399-L421 HydrophobicContact CD2-CG 4.45Å; Y399-L421 HydrophobicContact CE2-CD1 3.74Å; Y399-L421 HydrophobicContact CE2-CD2 4.21Å; Y399-L421 HydrophobicContact CE2-CG 4.33Å; Y399-L421 HydrophobicContact CG-CD2 4.47Å; Y399-I488 HydrophobicContact CD1-CG2 3.71Å; Y399-I488 HydrophobicContact CE1-CG2 4.39Å; Y399-I488 HydrophobicContact CG-CG2 3.78Å; Y399-Q489 HydrophobicContact CE1-CG 4.05Å; Y399-Q489 PolarHBondContact OH-NE2 3.39Å
400	H	98	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.3	174	-173	-171.8	0	0	0	109.2	L95 D99 C389 Y402 S413 F415 C493 P494	L95-H400 HydrophobicContact CB-CB 4.35Å; L95-H400 HydrophobicContact CD1-CB 4.21Å; D99-H400 IonicContact OD2-CE1 3.88Å; D99-H400 IonicContact OD2-CG 3.61Å; D99-H400 IonicContact OD2-ND1 2.8Å; D99-H400 PolarHBondContact OD2-ND1 2.74Å; C389-H400 PolarHBondContact O-N 2.96Å; H400-Y402 AromaticContact CE1-CZ 3.6Å; H400-Y402 PolarHBondContact CE1-OH 2.9Å; H400-Y402 AromaticContact NE2-CE1 3.86Å; H400-Y402 AromaticContact NE2-CZ 3.7Å; H400-S413 VanDerWaalsContact NE2-CB 3.31Å; H400-S413 WeakPolarHBondContact NE2-CB 3.48Å; H400-S413 PolarHBondContact NE2-OG 3.1Å; H400-F415 HydrophobicContact CB-CD1 4.13Å; H400-F415 HydrophobicContact CB-CE1 3.82Å; H400-F415 AromaticContact CD2-CE1 3.33Å; H400-F415 WeakPolarHBondContact CD2-CE1 3.46Å; H400-F415 AromaticContact CD2-CZ 3.58Å; H400-F415 AromaticContact CG-CE1 3.52Å; H400-F415 AromaticContact NE2-CE1 3.91Å; H400-F415 AromaticContact NE2-CZ 3.75Å; H400-C493 WeakPolarHBondContact O-CA 3.44Å; H400-P494 WeakPolarHBondContact O-CD 3.11Å
401	L	97.9	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.3	-177.8	-41	91.1	0	0	0	108.7	Y399 I414 L416 I488 P494 F496	Y399-L401 WeakPolarHBondContact O-CD1 3.26Å; L401-I414 WeakPolarHBondContact CD1-O 3.36Å; L401-I414 PolarHBondContact N-O 3.26Å; L401-I414 PolarHBondContact O-N 3.29Å; L401-I414 VanDerWaalsContact O-O 3.13Å; L401-L416 HydrophobicContact CD1-CB 4.01Å; L401-L416 HydrophobicContact CD1-CD1 4.21Å; L401-L416 HydrophobicContact CD1-CG 3.89Å; L401-L416 HydrophobicContact CD2-CD1 4.1Å; L401-I488 HydrophobicContact CD2-CD1 3.63Å; L401-I488 HydrophobicContact CD2-CG1 3.75Å; L401-I488 HydrophobicContact CD2-CG2 4.19Å; L401-P494 HydrophobicContact CB-CG 4.18Å; L401-P494 HydrophobicContact CD2-CG 3.79Å; L401-P494 HydrophobicContact CG-CG 3.96Å; L401-F496 HydrophobicContact CB-CE2 4.3Å; L401-F496 HydrophobicContact CD2-CE2 3.65Å; L401-F496 HydrophobicContact CD2-CZ 4.43Å
402	Y	98.1	Very high	95.4	Very high	31 Å²	31	42.3 Å²	42.3	12%	0.122	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	176.9	-68	-82.4	0	0	0	110	H400 M411 E412 S413 C493 P494 K495 F496	H400-Y402 AromaticContact CE1-CZ 3.6Å; H400-Y402 PolarHBondContact CE1-OH 2.9Å; H400-Y402 AromaticContact NE2-CE1 3.86Å; H400-Y402 AromaticContact NE2-CZ 3.7Å; Y402-M411 HydrophobicContact CD1-CB 4.35Å; Y402-E412 WeakPolarHBondContact CA-O 3.31Å; Y402-S413 WeakPolarHBondContact CE1-OG 3.31Å; Y402-C493 HydrophobicContact CD2-CB 4.14Å; Y402-C493 HydrophobicContact CE2-CB 3.84Å; Y402-P494 PolarHBondContact N-O 2.98Å; Y402-K495 CarbonylContact O-C 3.21Å; Y402-K495 WeakPolarHBondContact O-CA 3.34Å; Y402-F496 PolarHBondContact O-N 2.99Å
403	V	98.5	Very high	95.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137	-179.2	-174.7	0	0	0	0	110.6	E412 I414 V430 F434 F496 V498	V403-E412 PolarHBondContact N-O 3.41Å; V403-E412 PolarHBondContact O-N 3.47Å; V403-I414 HydrophobicContact CB-CD1 3.75Å; V403-I414 HydrophobicContact CB-CG1 4.49Å; V403-I414 HydrophobicContact CG2-CD1 3.62Å; V403-I414 HydrophobicContact CG2-CG1 4.27Å; V403-V430 HydrophobicContact CB-CG2 4.45Å; V403-V430 HydrophobicContact CG1-CG1 4.38Å; V403-V430 HydrophobicContact CG1-CG2 4.09Å; V403-V430 HydrophobicContact CG2-CG2 4.1Å; V403-F434 HydrophobicContact CG1-CE2 4.3Å; V403-F496 WeakPolarHBondContact CA-O 3.28Å; V403-F496 HydrophobicContact CG1-CB 4.48Å; V403-F496 HydrophobicContact CG2-CB 4.12Å; V403-F496 HydrophobicContact CG2-CD2 4.16Å; V403-V498 HydrophobicContact CG1-CB 4.08Å; V403-V498 HydrophobicContact CG1-CG1 3.82Å
404	R	98	Very high	95.9	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152	169.3	66.6	-173	-169.2	-174.2	1.4	111.5	T372 R408 F409 D410 M411 F496 E497 V498	T372-R404 PolarHBondContact OG1-NH1 3.48Å; T372-R404 PolarHBondContact OG1-NH2 2.88Å; T372-R404 VanDerWaalsContact OG1-NH2 3.09Å; R404-R408 VanDerWaalsContact CD-O 3.23Å; R404-R408 WeakPolarHBondContact CD-O 3.49Å; R404-R408 PolarHBondContact NE-O 2.89Å; R404-F409 WeakPolarHBondContact CD-O 3.31Å; R404-F409 PolarHBondContact NH1-O 2.98Å; R404-D410 WeakPolarHBondContact CB-O 3.21Å; R404-M411 HydrophobicContact CB-CB 4.49Å; R404-M411 HydrophobicContact CB-CG 4.04Å; R404-M411 HydrophobicContact CG-CG 4.25Å; R404-F496 PolarHBondContact N-O 3.41Å; R404-F496 VanDerWaalsContact N-O 3.1Å; R404-E497 HydrophobicContact CG-CG 3.99Å; R404-E497 IonicContact CZ-OE1 3.28Å; R404-E497 IonicContact NE-OE1 2.96Å; R404-E497 PolarHBondContact NE-OE1 3.49Å; R404-E497 IonicContact NH2-OE1 2.64Å; R404-E497 PolarHBondContact NH2-OE1 3.17Å; R404-E497 CarbonylContact O-C 3.5Å; R404-E497 VanDerWaalsContact O-CA 3.27Å; R404-E497 WeakPolarHBondContact O-CA 3.43Å; R404-V498 WeakPolarHBondContact O-CG1 3.42Å; R404-V498 PolarHBondContact O-N 3.47Å
405	E	97.9	Very high	96.4	Very high	4 Å²	4	32 Å²	32	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.6	165.5	-174.5	-174.8	-166.8	0	0	109.6	G407 R408 Y439 P441 I442 V498 F500	E405-G407 PolarHBondContact O-N 2.88Å; E405-R408 HydrophobicContact CB-CG 4.41Å; E405-R408 PolarHBondContact O-N 3.29Å; E405-R408 IonicContact OE2-NE 2.72Å; E405-Y439 HydrophobicContact CB-CE1 4.44Å; E405-Y439 WeakPolarHBondContact CB-OH 3.26Å; E405-Y439 WeakPolarHBondContact OE2-CE1 3.32Å; E405-Y439 VanDerWaalsContact OE2-CZ 3.27Å; E405-Y439 PolarHBondContact OE2-OH 3.43Å; E405-P441 WeakPolarHBondContact OE1-CA 3.15Å; E405-P441 WeakPolarHBondContact OE1-CB 3.27Å; E405-I442 HydrophobicContact CG-CD1 4.26Å; E405-I442 PolarHBondContact OE1-N 2.93Å; E405-I442 WeakPolarHBondContact OE2-CG1 3.43Å; E405-I442 PolarHBondContact OE2-N 3.43Å; E405-I442 VanDerWaalsContact OE2-N 3.15Å; E405-V498 CarbonylContact C-O 3.54Å; E405-V498 WeakPolarHBondContact CA-O 3.35Å; E405-F500 HydrophobicContact CB-CD2 4.19Å; E405-F500 HydrophobicContact CB-CE2 4.01Å; E405-F500 HydrophobicContact CG-CD2 3.73Å; E405-F500 HydrophobicContact CG-CE2 4.08Å
406	R	97	Very high	96.9	Very high	25 Å²	25	26.5 Å²	26.5	9%	0.094	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	124.4	171	-178.3	-169.2	60.7	-178.5	-2.3	110.2	A353 I442 V498 V499	A353-R406 VanDerWaalsContact O-CZ 3.23Å; A353-R406 PolarHBondContact O-NH1 2.95Å; A353-R406 PolarHBondContact O-NH2 3.45Å; R406-I442 WeakPolarHBondContact O-CD1 3.37Å; R406-V498 PolarHBondContact N-O 3.16Å; R406-V499 HydrophobicContact CB-CG2 3.94Å
407	G	96.2	Very high	97.1	Very high	12 Å²	12	25.9 Å²	25.9	12%	0.124	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-3.2	-177.5	0	0	0	0	0	114.4	S125 I368 E405	S125-G407 PolarHBondContact OG-O 3.49Å; I368-G407 WeakPolarHBondContact CD1-O 3.47Å; E405-G407 PolarHBondContact O-N 2.88Å
408	R	96.7	Very high	97	Very high	87 Å²	87	28.3 Å²	28.3	33%	0.328	14%	0.136	S	C	.	.			trans	-98.2	155.6	163.3	-65.2	-146.3	-176.5	-153.5	10	111	S125 R404 E405 Y439 E440 I442	S125-R408 WeakPolarHBondContact OG-CA 3.21Å; R404-R408 VanDerWaalsContact CD-O 3.23Å; R404-R408 WeakPolarHBondContact CD-O 3.49Å; R404-R408 PolarHBondContact NE-O 2.89Å; E405-R408 HydrophobicContact CB-CG 4.41Å; E405-R408 PolarHBondContact O-N 3.29Å; E405-R408 IonicContact OE2-NE 2.72Å; R408-Y439 WeakPolarHBondContact CD-OH 3.4Å; R408-Y439 PolarHBondContact NE-OH 3.12Å; R408-E440 PolarHBondContact NH2-O 3.38Å; R408-I442 HydrophobicContact CB-CD1 4.37Å; R408-I442 HydrophobicContact CG-CD1 3.35Å; R408-I442 HydrophobicContact CG-CG1 3.86Å
409	F	97.6	Very high	96.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	17%	0.17	C	C	.	.			trans	-93.1	-50.3	176.4	179.1	-119.6	0	0	0	112.1	F107 S125 V126 I368 A371 R375 R404	F107-F409 AromaticContact CD2-CE1 3.59Å; F107-F409 HydrophobicContact CD2-CE1 3.59Å; F107-F409 AromaticContact CD2-CZ 3.79Å; F107-F409 HydrophobicContact CD2-CZ 3.79Å; F107-F409 AromaticContact CE2-CE1 3.84Å; F107-F409 HydrophobicContact CE2-CE1 3.84Å; F107-F409 AromaticContact CE2-CZ 3.51Å; F107-F409 HydrophobicContact CE2-CZ 3.51Å; S125-F409 PolarHBondContact OG-N 3.26Å; S125-F409 VanDerWaalsContact OG-N 3.11Å; V126-F409 HydrophobicContact CB-CB 3.97Å; V126-F409 HydrophobicContact CB-CD1 3.9Å; V126-F409 HydrophobicContact CB-CG 3.88Å; V126-F409 HydrophobicContact CG2-CD1 3.87Å; V126-F409 HydrophobicContact CG2-CE1 4.03Å; V126-F409 HydrophobicContact CG2-CG 4.22Å; I368-F409 HydrophobicContact CG1-CB 4.43Å; I368-F409 HydrophobicContact CG2-CB 4.48Å; I368-F409 HydrophobicContact CG2-CD2 4.37Å; A371-F409 HydrophobicContact CB-CD2 3.87Å; A371-F409 HydrophobicContact CB-CE1 4.37Å; A371-F409 HydrophobicContact CB-CE2 3.33Å; A371-F409 HydrophobicContact CB-CZ 3.59Å; R375-F409 HydrophobicContact CG-CZ 4.16Å; R375-F409 VanDerWaalsContact NE-CZ 3.31Å; R375-F409 VanDerWaalsContact NH1-CZ 3.32Å; R375-F409 VanDerWaalsContact NH2-CE1 3.32Å; R404-F409 WeakPolarHBondContact CD-O 3.31Å; R404-F409 PolarHBondContact NH1-O 2.98Å
410	D	95.7	Very high	96.5	Very high	93 Å²	93	34.9 Å²	34.9	50%	0.497	19%	0.189	S	C	.	.	S	Bend	trans	-70	148.8	-178.9	-61.1	-49	0	0	0	112.5	R375 R404	R375-D410 IonicContact NH1-OD1 3.25Å; R404-D410 WeakPolarHBondContact CB-O 3.21Å
411	M	97.1	Very high	96.3	Very high	39 Å²	39	35.3 Å²	35.3	19%	0.192	19%	0.191	C	C	.	.			trans	-115.6	146.1	-176.9	-57.6	-177.3	-166.9	0	0	110.5	Y402 R404 I465 K495	Y402-M411 HydrophobicContact CD1-CB 4.35Å; R404-M411 HydrophobicContact CB-CB 4.49Å; R404-M411 HydrophobicContact CB-CG 4.04Å; R404-M411 HydrophobicContact CG-CG 4.25Å; M411-I465 HydrophobicContact CE-CD1 3.51Å; M411-K495 HydrophobicContact CE-CD 3.88Å; M411-K495 HydrophobicContact CE-CG 4.32Å; M411-K495 HydrophobicContact SD-CB 4.24Å; M411-K495 HydrophobicContact SD-CD 3.86Å; M411-K495 HydrophobicContact SD-CG 3.75Å
412	E	97.3	Very high	96.3	Very high	56 Å²	56	37.2 Å²	37.2	26%	0.262	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.9	173.9	-66	-58.5	152.8	0	0	110.7	Y402 V403 K433 F434 L437	Y402-E412 WeakPolarHBondContact CA-O 3.31Å; V403-E412 PolarHBondContact N-O 3.41Å; V403-E412 PolarHBondContact O-N 3.47Å; E412-K433 HydrophobicContact CB-CG 4.06Å; E412-K433 WeakPolarHBondContact OE2-CE 3.48Å; E412-K433 IonicContact OE2-NZ 3.88Å; E412-K433 PolarHBondContact OE2-NZ 3.23Å; E412-F434 HydrophobicContact CB-CE2 4.36Å; E412-F434 HydrophobicContact CB-CZ 4.41Å; E412-F434 HydrophobicContact CG-CE1 4.41Å; E412-F434 HydrophobicContact CG-CE2 4.33Å; E412-F434 HydrophobicContact CG-CZ 4.02Å; E412-L437 VanDerWaalsContact CD-CD1 3.44Å; E412-L437 HydrophobicContact CG-CD1 3.98Å; E412-L437 WeakPolarHBondContact OE2-CD1 3.33Å
413	S	97.4	Very high	96.3	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.2	170.4	-75.4	0	0	0	0	111.2	H400 Y402 K433	H400-S413 VanDerWaalsContact NE2-CB 3.31Å; H400-S413 WeakPolarHBondContact NE2-CB 3.48Å; H400-S413 PolarHBondContact NE2-OG 3.1Å; Y402-S413 WeakPolarHBondContact CE1-OG 3.31Å; S413-K433 WeakPolarHBondContact O-CE 3.43Å
414	I	97.3	Very high	96.2	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.1	177.9	-59.5	-169.1	0	0	0	109.2	L401 V403 A429 V430 K433	L401-I414 WeakPolarHBondContact CD1-O 3.36Å; L401-I414 PolarHBondContact N-O 3.26Å; L401-I414 PolarHBondContact O-N 3.29Å; L401-I414 VanDerWaalsContact O-O 3.13Å; V403-I414 HydrophobicContact CB-CD1 3.75Å; V403-I414 HydrophobicContact CB-CG1 4.49Å; V403-I414 HydrophobicContact CG2-CD1 3.62Å; V403-I414 HydrophobicContact CG2-CG1 4.27Å; I414-A429 HydrophobicContact CG2-CB 3.66Å; I414-V430 HydrophobicContact CD1-CB 4.16Å; I414-V430 HydrophobicContact CD1-CG2 3.58Å; I414-K433 HydrophobicContact CD1-CB 4.1Å; I414-K433 HydrophobicContact CD1-CG 4.29Å; I414-K433 HydrophobicContact CG1-CB 4.14Å; I414-K433 HydrophobicContact CG1-CG 4.04Å
415	F	97.2	Very high	96.2	Very high	29 Å²	29	46 Å²	46	13%	0.127	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	-177.3	-56.9	-81.6	0	0	0	111.8	Q92 L95 E96 V398 Y399 H400	Q92-F415 HydrophobicContact CB-CD1 4.37Å; Q92-F415 HydrophobicContact CB-CD2 4.17Å; Q92-F415 HydrophobicContact CB-CE1 4.39Å; Q92-F415 HydrophobicContact CB-CE2 4.21Å; Q92-F415 HydrophobicContact CB-CG 4.29Å; Q92-F415 HydrophobicContact CB-CZ 4.35Å; Q92-F415 HydrophobicContact CG-CB 4.06Å; Q92-F415 HydrophobicContact CG-CD1 3.96Å; Q92-F415 HydrophobicContact CG-CD2 3.85Å; Q92-F415 HydrophobicContact CG-CE1 4.46Å; Q92-F415 HydrophobicContact CG-CE2 4.38Å; Q92-F415 HydrophobicContact CG-CG 3.64Å; L95-F415 HydrophobicContact CB-CE1 3.99Å; L95-F415 HydrophobicContact CD1-CD1 4.3Å; L95-F415 HydrophobicContact CD1-CE1 4.28Å; E96-F415 HydrophobicContact CG-CE1 4.43Å; E96-F415 HydrophobicContact CG-CE2 4.08Å; E96-F415 HydrophobicContact CG-CZ 3.45Å; E96-F415 VanDerWaalsContact CG-CZ 3.45Å; E96-F415 WeakPolarHBondContact OE1-CE2 3.13Å; V398-F415 HydrophobicContact CG1-CB 3.92Å; V398-F415 HydrophobicContact CG1-CD1 4.12Å; V398-F415 HydrophobicContact CG1-CG 4.42Å; Y399-F415 VanDerWaalsContact O-CA 3.27Å; Y399-F415 WeakPolarHBondContact O-CA 3.38Å; H400-F415 HydrophobicContact CB-CD1 4.13Å; H400-F415 HydrophobicContact CB-CE1 3.82Å; H400-F415 AromaticContact CD2-CE1 3.33Å; H400-F415 WeakPolarHBondContact CD2-CE1 3.46Å; H400-F415 AromaticContact CD2-CZ 3.58Å; H400-F415 AromaticContact CG-CE1 3.52Å; H400-F415 AromaticContact NE2-CE1 3.91Å; H400-F415 AromaticContact NE2-CZ 3.75Å
416	L	97.1	Very high	96.2	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	172.2	-67.6	177.9	0	0	0	110.7	V398 Y399 L401 L421 A425 L426 A429 I488	V398-L416 CarbonylContact C-O 3.58Å; V398-L416 WeakPolarHBondContact CA-O 3.42Å; Y399-L416 PolarHBondContact N-O 3.37Å; Y399-L416 PolarHBondContact O-N 2.84Å; Y399-L416 VanDerWaalsContact O-N 3.07Å; L401-L416 HydrophobicContact CD1-CB 4.01Å; L401-L416 HydrophobicContact CD1-CD1 4.21Å; L401-L416 HydrophobicContact CD1-CG 3.89Å; L401-L416 HydrophobicContact CD2-CD1 4.1Å; L416-L421 HydrophobicContact CB-CD2 3.89Å; L416-L421 HydrophobicContact CD1-CD2 4.4Å; L416-A425 HydrophobicContact CD2-CB 4.28Å; L416-L426 HydrophobicContact CD1-CB 4.02Å; L416-L426 HydrophobicContact CD1-CD1 3.92Å; L416-A429 HydrophobicContact CD2-CB 3.86Å; L416-I488 HydrophobicContact CD1-CD1 3.94Å
417	K	94.7	Very high	96.3	Very high	74 Å²	74	48.4 Å²	48.4	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.6	173	-61.1	-177	-177.7	-177.8	0	110	I88 T397 V398 G419 N420 L421	I88-K417 VanDerWaalsContact CD1-CE 3.4Å; T397-K417 CarbonylContact O-C 3.59Å; T397-K417 WeakPolarHBondContact O-CA 3.41Å; V398-K417 HydrophobicContact CG2-CG 4.47Å; K417-G419 VanDerWaalsContact C-N 3.31Å; K417-G419 PolarHBondContact O-N 2.82Å; K417-N420 HydrophobicContact CB-CB 4.35Å; K417-N420 CarbonylContact O-C 3.54Å; K417-N420 WeakPolarHBondContact O-CA 3.43Å; K417-N420 PolarHBondContact O-N 3.37Å; K417-L421 PolarHBondContact O-N 3.09Å
418	D	92.1	Very high	96.4	Very high	70 Å²	70	51 Å²	51	37%	0.374	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-54.4	-43.9	178.6	-161.9	70.8	0	0	0	113	T397 Y399 N420 L421	T397-D418 PolarHBondContact O-N 3.39Å; Y399-D418 HydrophobicContact CE2-CB 3.94Å; Y399-D418 VanDerWaalsContact CE2-OD1 3.25Å; Y399-D418 WeakPolarHBondContact CE2-OD1 3.49Å; Y399-D418 PolarHBondContact OH-OD1 2.99Å; D418-N420 PolarHBondContact O-N 3.48Å; D418-L421 WeakPolarHBondContact O-CG 3.08Å; D418-L421 PolarHBondContact O-N 2.79Å
419	G	90.3	Very high	96.4	Very high	71 Å²	71	48 Å²	48	73%	0.732	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.7	-11.9	174.2	0	0	0	0	0	115	K417	K417-G419 VanDerWaalsContact C-N 3.31Å; K417-G419 PolarHBondContact O-N 2.82Å
420	N	93.4	Very high	96.4	Very high	89 Å²	89	47.8 Å²	47.8	48%	0.476	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-120.3	30.1	-178.3	-71.2	11.6	0	0	0	111.5	K417 D418 T422 A425	K417-N420 HydrophobicContact CB-CB 4.35Å; K417-N420 CarbonylContact O-C 3.54Å; K417-N420 WeakPolarHBondContact O-CA 3.43Å; K417-N420 PolarHBondContact O-N 3.37Å; D418-N420 PolarHBondContact O-N 3.48Å; N420-T422 PolarHBondContact O-N 2.92Å; N420-A425 HydrophobicContact CB-CB 3.9Å; N420-A425 WeakPolarHBondContact O-CB 3.45Å
421	L	95.8	Very high	96.5	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	26%	0.255	C	S	.	.			trans	-77.7	58.8	170.3	-62.6	-178.4	0	0	0	110.8	Y399 L416 K417 D418 S485 I488 Q489	Y399-L421 HydrophobicContact CD2-CD1 4.22Å; Y399-L421 HydrophobicContact CD2-CD2 3.85Å; Y399-L421 HydrophobicContact CD2-CG 4.45Å; Y399-L421 HydrophobicContact CE2-CD1 3.74Å; Y399-L421 HydrophobicContact CE2-CD2 4.21Å; Y399-L421 HydrophobicContact CE2-CG 4.33Å; Y399-L421 HydrophobicContact CG-CD2 4.47Å; L416-L421 HydrophobicContact CB-CD2 3.89Å; L416-L421 HydrophobicContact CD1-CD2 4.4Å; K417-L421 PolarHBondContact O-N 3.09Å; D418-L421 WeakPolarHBondContact O-CG 3.08Å; D418-L421 PolarHBondContact O-N 2.79Å; L421-S485 WeakPolarHBondContact CD1-OG 3.43Å; L421-I488 HydrophobicContact CD2-CD1 3.85Å; L421-I488 HydrophobicContact CD2-CG2 4.15Å; L421-Q489 HydrophobicContact CD1-CG 4.3Å
422	T	97.3	Very high	96.5	Very high	39 Å²	39	45.9 Å²	45.9	24%	0.239	27%	0.27	C	S	.	.	S	Bend	trans	-118.9	157.1	-179.7	69.3	0	0	0	0	110.7	N420 E424 A425 L426 N481 L484	N420-T422 PolarHBondContact O-N 2.92Å; T422-E424 VanDerWaalsContact C-N 3.32Å; T422-E424 PolarHBondContact O-N 2.92Å; T422-A425 PolarHBondContact O-N 3.35Å; T422-A425 VanDerWaalsContact OG1-CB 3.25Å; T422-A425 WeakPolarHBondContact OG1-CB 3.15Å; T422-A425 PolarHBondContact OG1-N 2.03Å; T422-L426 PolarHBondContact O-N 3.43Å; T422-N481 WeakPolarHBondContact CA-OD1 3.25Å; T422-N481 WeakPolarHBondContact CB-OD1 3.29Å; T422-N481 HydrophobicContact CG2-CB 4.36Å; T422-L484 WeakPolarHBondContact O-CD2 3.46Å
423	L	97.3	Very high	96.5	Very high	59 Å²	59	45.7 Å²	45.7	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-42.1	178.9	-67.2	167.2	0	0	0	111.7	A425 L426 E427 F478 N481 L484	L423-A425 PolarHBondContact O-N 3.24Å; L423-L426 PolarHBondContact O-N 3.4Å; L423-E427 WeakPolarHBondContact O-CB 3.45Å; L423-E427 PolarHBondContact O-N 3.28Å; L423-F478 HydrophobicContact CD1-CB 4.34Å; L423-F478 HydrophobicContact CD2-CB 3.63Å; L423-F478 HydrophobicContact CD2-CD2 3.67Å; L423-F478 HydrophobicContact CD2-CG 3.93Å; L423-N481 PolarHBondContact N-OD1 3.28Å; L423-L484 HydrophobicContact CD2-CB 4.22Å; L423-L484 HydrophobicContact CD2-CD2 3.97Å; L423-L484 HydrophobicContact CG-CD2 4.39Å
424	E	97.4	Very high	96.5	Very high	149 Å²	149	44.5 Å²	44.5	70%	0.696	26%	0.26	S	S	*	.	H	α-helix	trans	-62.6	-41.2	177.1	-176.7	-178.5	-179.1	0	0	112.3	T422 E427 S428	T422-E424 VanDerWaalsContact C-N 3.32Å; T422-E424 PolarHBondContact O-N 2.92Å; E424-E427 PolarHBondContact O-N 3.29Å; E424-S428 VanDerWaalsContact O-CB 3.27Å; E424-S428 WeakPolarHBondContact O-CB 3.48Å; E424-S428 PolarHBondContact O-N 3.38Å; E424-S428 PolarHBondContact O-OG 3.38Å
425	A	97.9	Very high	96.3	Very high	17 Å²	17	50 Å²	50	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-38.6	177.9	0	0	0	0	0	112	L416 N420 T422 L423 S428 A429	L416-A425 HydrophobicContact CD2-CB 4.28Å; N420-A425 HydrophobicContact CB-CB 3.9Å; N420-A425 WeakPolarHBondContact O-CB 3.45Å; T422-A425 PolarHBondContact O-N 3.35Å; T422-A425 VanDerWaalsContact OG1-CB 3.25Å; T422-A425 WeakPolarHBondContact OG1-CB 3.15Å; T422-A425 PolarHBondContact OG1-N 2.03Å; L423-A425 PolarHBondContact O-N 3.24Å; A425-S428 PolarHBondContact O-N 2.8Å; A425-A429 VanDerWaalsContact O-CB 3.26Å; A425-A429 WeakPolarHBondContact O-CB 3.34Å; A425-A429 PolarHBondContact O-N 2.84Å
426	L	98.3	Very high	96.2	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-50.6	172.7	175.6	63.8	0	0	0	111	L416 T422 L423 S428 A429 V430 I462 L484	L416-L426 HydrophobicContact CD1-CB 4.02Å; L416-L426 HydrophobicContact CD1-CD1 3.92Å; T422-L426 PolarHBondContact O-N 3.43Å; L423-L426 PolarHBondContact O-N 3.4Å; L426-S428 PolarHBondContact O-N 3.45Å; L426-A429 PolarHBondContact O-N 2.85Å; L426-V430 HydrophobicContact CD1-CG2 4.3Å; L426-V430 VanDerWaalsContact O-CG2 3.31Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 2.95Å; L426-I462 HydrophobicContact CD2-CB 4.46Å; L426-I462 HydrophobicContact CD2-CD1 4.3Å; L426-I462 HydrophobicContact CD2-CG2 3.96Å; L426-I462 HydrophobicContact CG-CD1 4.02Å; L426-L484 HydrophobicContact CB-CD2 4.13Å; L426-L484 HydrophobicContact CD2-CD1 3.84Å; L426-L484 HydrophobicContact CD2-CD2 4.07Å
427	E	97.9	Very high	96.1	Very high	79 Å²	79	55.9 Å²	55.9	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-47.3	177.8	-177.9	173.5	167.2	0	0	111.6	L423 E424 A429 V430 L431 V459 I462	L423-E427 WeakPolarHBondContact O-CB 3.45Å; L423-E427 PolarHBondContact O-N 3.28Å; E424-E427 PolarHBondContact O-N 3.29Å; E427-A429 VanDerWaalsContact C-N 3.34Å; E427-A429 PolarHBondContact O-N 2.89Å; E427-V430 PolarHBondContact O-N 3.46Å; E427-L431 HydrophobicContact CG-CD1 4.06Å; E427-L431 WeakPolarHBondContact O-CG 3.03Å; E427-L431 PolarHBondContact O-N 2.82Å; E427-V459 HydrophobicContact CG-CB 3.9Å; E427-V459 HydrophobicContact CG-CG1 4.39Å; E427-V459 HydrophobicContact CG-CG2 3.85Å; E427-I462 HydrophobicContact CB-CD1 4.4Å
428	S	97.8	Very high	96	Very high	67 Å²	67	63.5 Å²	63.5	47%	0.469	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42	178.2	-62.1	0	0	0	0	112.1	E424 A425 L426 L431 A432	E424-S428 VanDerWaalsContact O-CB 3.27Å; E424-S428 WeakPolarHBondContact O-CB 3.48Å; E424-S428 PolarHBondContact O-N 3.38Å; E424-S428 PolarHBondContact O-OG 3.38Å; A425-S428 PolarHBondContact O-N 2.8Å; L426-S428 PolarHBondContact O-N 3.45Å; S428-L431 PolarHBondContact O-N 2.9Å; S428-A432 WeakPolarHBondContact O-CB 3.44Å; S428-A432 PolarHBondContact O-N 3.2Å
429	A	97.9	Very high	96	Very high	22 Å²	22	62.1 Å²	62.1	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-39.5	178.3	0	0	0	0	0	111.9	I414 L416 A425 L426 E427 K433	I414-A429 HydrophobicContact CG2-CB 3.66Å; L416-A429 HydrophobicContact CD2-CB 3.86Å; A425-A429 VanDerWaalsContact O-CB 3.26Å; A425-A429 WeakPolarHBondContact O-CB 3.34Å; A425-A429 PolarHBondContact O-N 2.84Å; L426-A429 PolarHBondContact O-N 2.85Å; E427-A429 VanDerWaalsContact C-N 3.34Å; E427-A429 PolarHBondContact O-N 2.89Å; A429-K433 WeakPolarHBondContact O-CB 3.45Å; A429-K433 PolarHBondContact O-N 3.23Å
430	V	98.3	Very high	96.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-53.3	172.7	172.5	0	0	0	0	110.8	V403 I414 L426 E427 A432 K433 F434 I462 V498 F500	V403-V430 HydrophobicContact CB-CG2 4.45Å; V403-V430 HydrophobicContact CG1-CG1 4.38Å; V403-V430 HydrophobicContact CG1-CG2 4.09Å; V403-V430 HydrophobicContact CG2-CG2 4.1Å; I414-V430 HydrophobicContact CD1-CB 4.16Å; I414-V430 HydrophobicContact CD1-CG2 3.58Å; L426-V430 HydrophobicContact CD1-CG2 4.3Å; L426-V430 VanDerWaalsContact O-CG2 3.31Å; L426-V430 WeakPolarHBondContact O-CG2 3.39Å; L426-V430 PolarHBondContact O-N 2.95Å; E427-V430 PolarHBondContact O-N 3.46Å; V430-A432 PolarHBondContact O-N 3.31Å; V430-K433 PolarHBondContact O-N 2.99Å; V430-F434 HydrophobicContact CG1-CD2 3.94Å; V430-F434 HydrophobicContact CG1-CE2 4.13Å; V430-F434 VanDerWaalsContact O-CD2 3.29Å; V430-F434 WeakPolarHBondContact O-CD2 3.37Å; V430-F434 PolarHBondContact O-N 3.44Å; V430-I462 HydrophobicContact CB-CD1 4.34Å; V430-I462 HydrophobicContact CG2-CD1 3.97Å; V430-V498 HydrophobicContact CG1-CB 4.29Å; V430-V498 HydrophobicContact CG1-CG1 4.13Å; V430-V498 HydrophobicContact CG1-CG2 4.09Å; V430-F500 HydrophobicContact CG1-CE1 4.02Å; V430-F500 HydrophobicContact CG1-CZ 4.01Å
431	L	97.7	Very high	96.2	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-46.6	179.3	-71.5	174.1	0	0	0	111.7	E427 S428 K433 F434 M435 L457 V459 F500	E427-L431 HydrophobicContact CG-CD1 4.06Å; E427-L431 WeakPolarHBondContact O-CG 3.03Å; E427-L431 PolarHBondContact O-N 2.82Å; S428-L431 PolarHBondContact O-N 2.9Å; L431-K433 PolarHBondContact O-N 3.28Å; L431-F434 PolarHBondContact O-N 2.96Å; L431-M435 VanDerWaalsContact O-CB 3.24Å; L431-M435 WeakPolarHBondContact O-CB 3.18Å; L431-M435 WeakPolarHBondContact O-CG 3.19Å; L431-M435 PolarHBondContact O-N 3Å; L431-L457 HydrophobicContact CD2-CB 3.96Å; L431-L457 HydrophobicContact CD2-CD2 4.16Å; L431-L457 HydrophobicContact CD2-CG 3.89Å; L431-L457 VanDerWaalsContact CD2-O 3.29Å; L431-L457 WeakPolarHBondContact CD2-O 3.33Å; L431-V459 HydrophobicContact CD1-CG2 4.47Å; L431-V459 HydrophobicContact CD2-CG2 3.89Å; L431-V459 HydrophobicContact CG-CG2 3.99Å; L431-F500 HydrophobicContact CD2-CE1 4.3Å
432	A	96.7	Very high	96	Very high	62 Å²	62	59.6 Å²	59.6	51%	0.512	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-45.8	178.3	0	0	0	0	0	112.1	S428 V430 S436	S428-A432 WeakPolarHBondContact O-CB 3.44Å; S428-A432 PolarHBondContact O-N 3.2Å; V430-A432 PolarHBondContact O-N 3.31Å; A432-S436 WeakPolarHBondContact O-CB 3.36Å; A432-S436 PolarHBondContact O-N 3.31Å
433	K	97.3	Very high	95.8	Very high	52 Å²	52	58.5 Å²	58.5	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-54	177.6	176.9	60.3	174.2	176.2	0	111.1	E412 S413 I414 A429 V430 L431 M435 S436 L437	E412-K433 HydrophobicContact CB-CG 4.06Å; E412-K433 WeakPolarHBondContact OE2-CE 3.48Å; E412-K433 IonicContact OE2-NZ 3.88Å; E412-K433 PolarHBondContact OE2-NZ 3.23Å; S413-K433 WeakPolarHBondContact O-CE 3.43Å; I414-K433 HydrophobicContact CD1-CB 4.1Å; I414-K433 HydrophobicContact CD1-CG 4.29Å; I414-K433 HydrophobicContact CG1-CB 4.14Å; I414-K433 HydrophobicContact CG1-CG 4.04Å; A429-K433 WeakPolarHBondContact O-CB 3.45Å; A429-K433 PolarHBondContact O-N 3.23Å; V430-K433 PolarHBondContact O-N 2.99Å; L431-K433 PolarHBondContact O-N 3.28Å; K433-M435 PolarHBondContact O-N 2.86Å; K433-S436 PolarHBondContact O-N 3.07Å; K433-S436 PolarHBondContact O-OG 2.79Å; K433-L437 HydrophobicContact CD-CD1 4.46Å; K433-L437 WeakPolarHBondContact O-CG 3.35Å; K433-L437 PolarHBondContact O-N 2.99Å
434	F	96.9	Very high	95.6	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-35.8	-176.9	-80.1	-98.7	0	0	0	112.4	V403 E412 V430 L431 L437 Y439 L457 V498 F500	V403-F434 HydrophobicContact CG1-CE2 4.3Å; E412-F434 HydrophobicContact CB-CE2 4.36Å; E412-F434 HydrophobicContact CB-CZ 4.41Å; E412-F434 HydrophobicContact CG-CE1 4.41Å; E412-F434 HydrophobicContact CG-CE2 4.33Å; E412-F434 HydrophobicContact CG-CZ 4.02Å; V430-F434 HydrophobicContact CG1-CD2 3.94Å; V430-F434 HydrophobicContact CG1-CE2 4.13Å; V430-F434 VanDerWaalsContact O-CD2 3.29Å; V430-F434 WeakPolarHBondContact O-CD2 3.37Å; V430-F434 PolarHBondContact O-N 3.44Å; L431-F434 PolarHBondContact O-N 2.96Å; F434-L437 PolarHBondContact O-N 3.28Å; F434-Y439 HydrophobicContact CB-CG 4.48Å; F434-Y439 AromaticContact CD1-CD1 3.58Å; F434-Y439 HydrophobicContact CD1-CD1 3.58Å; F434-Y439 AromaticContact CD1-CD2 3.65Å; F434-Y439 HydrophobicContact CD1-CD2 3.65Å; F434-Y439 AromaticContact CD1-CE1 3.68Å; F434-Y439 HydrophobicContact CD1-CE1 3.68Å; F434-Y439 AromaticContact CD1-CE2 3.76Å; F434-Y439 HydrophobicContact CD1-CE2 3.76Å; F434-Y439 AromaticContact CD1-CG 3.54Å; F434-Y439 HydrophobicContact CD1-CG 3.54Å; F434-Y439 AromaticContact CD1-CZ 3.74Å; F434-Y439 HydrophobicContact CE1-CD1 4.28Å; F434-Y439 HydrophobicContact CE1-CD2 4Å; F434-Y439 AromaticContact CE1-CE1 3.93Å; F434-Y439 HydrophobicContact CE1-CE1 3.93Å; F434-Y439 AromaticContact CE1-CE2 3.63Å; F434-Y439 HydrophobicContact CE1-CE2 3.63Å; F434-Y439 HydrophobicContact CE1-CG 4.28Å; F434-Y439 AromaticContact CE1-CZ 3.56Å; F434-Y439 HydrophobicContact CG-CG 4.49Å; F434-Y439 WeakPolarHBondContact O-CB 3.27Å; F434-Y439 PolarHBondContact O-N 3.46Å; F434-L457 HydrophobicContact CB-CD2 3.8Å; F434-V498 HydrophobicContact CE2-CG1 4.48Å; F434-V498 HydrophobicContact CZ-CG1 4.44Å; F434-F500 HydrophobicContact CB-CZ 4.21Å; F434-F500 AromaticContact CD1-CE2 3.81Å; F434-F500 HydrophobicContact CD1-CE2 3.81Å; F434-F500 AromaticContact CD1-CZ 3.92Å; F434-F500 HydrophobicContact CD1-CZ 3.92Å; F434-F500 AromaticContact CD2-CZ 3.94Å; F434-F500 HydrophobicContact CD2-CZ 3.94Å; F434-F500 HydrophobicContact CE1-CE2 4Å; F434-F500 HydrophobicContact CE1-CZ 4.28Å; F434-F500 HydrophobicContact CE2-CZ 4.28Å; F434-F500 HydrophobicContact CG-CE2 4.13Å; F434-F500 AromaticContact CG-CZ 3.75Å; F434-F500 HydrophobicContact CG-CZ 3.75Å; F434-F500 HydrophobicContact CZ-CE2 4.47Å; F434-F500 HydrophobicContact CZ-CZ 4.45Å
435	M	93.9	Very high	95.3	Very high	121 Å²	121	58 Å²	58	60%	0.596	30%	0.295	S	S	*	.	H	α-helix	trans	-65.9	-38.5	173.9	-71.9	177.8	68	0	0	112.6	L431 K433 L437 R438	L431-M435 VanDerWaalsContact O-CB 3.24Å; L431-M435 WeakPolarHBondContact O-CB 3.18Å; L431-M435 WeakPolarHBondContact O-CG 3.19Å; L431-M435 PolarHBondContact O-N 3Å; K433-M435 PolarHBondContact O-N 2.86Å; M435-L437 PolarHBondContact O-N 2.65Å; M435-R438 PolarHBondContact O-N 2.87Å
436	S	95.6	Very high	95	Very high	84 Å²	84	61.4 Å²	61.4	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-60.5	-30.1	177.7	76.8	0	0	0	0	112.9	A432 K433 R438	A432-S436 WeakPolarHBondContact O-CB 3.36Å; A432-S436 PolarHBondContact O-N 3.31Å; K433-S436 PolarHBondContact O-N 3.07Å; K433-S436 PolarHBondContact O-OG 2.79Å; S436-R438 VanDerWaalsContact C-N 3.25Å; S436-R438 PolarHBondContact O-N 2.99Å
437	L	94.9	Very high	94.8	Very high	76 Å²	76	61.5 Å²	61.5	40%	0.398	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.7	178.3	-61.3	174.2	0	0	0	113.2	E412 K433 F434 M435 Y439	E412-L437 VanDerWaalsContact CD-CD1 3.44Å; E412-L437 HydrophobicContact CG-CD1 3.98Å; E412-L437 WeakPolarHBondContact OE2-CD1 3.33Å; K433-L437 HydrophobicContact CD-CD1 4.46Å; K433-L437 WeakPolarHBondContact O-CG 3.35Å; K433-L437 PolarHBondContact O-N 2.99Å; F434-L437 PolarHBondContact O-N 3.28Å; M435-L437 PolarHBondContact O-N 2.65Å; L437-Y439 PolarHBondContact O-N 3.28Å
438	R	91.1	Very high	94.6	Very high	234 Å²	234	59.2 Å²	59.2	88%	0.883	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	40.3	-169.3	-58.6	-177.6	-178.8	172.8	0.8	111.6	M435 S436	M435-R438 PolarHBondContact O-N 2.87Å; S436-R438 VanDerWaalsContact C-N 3.25Å; S436-R438 PolarHBondContact O-N 2.99Å
439	Y	92.6	Very high	94.4	Very high	41 Å²	41	59.8 Å²	59.8	16%	0.161	31%	0.309	C	S	.	.			trans	-67.8	139.1	-167.5	-174.6	-89.5	0	0	0	112.4	E405 R408 F434 L437 F500	E405-Y439 HydrophobicContact CB-CE1 4.44Å; E405-Y439 WeakPolarHBondContact CB-OH 3.26Å; E405-Y439 WeakPolarHBondContact OE2-CE1 3.32Å; E405-Y439 VanDerWaalsContact OE2-CZ 3.27Å; E405-Y439 PolarHBondContact OE2-OH 3.43Å; R408-Y439 WeakPolarHBondContact CD-OH 3.4Å; R408-Y439 PolarHBondContact NE-OH 3.12Å; F434-Y439 HydrophobicContact CB-CG 4.48Å; F434-Y439 AromaticContact CD1-CD1 3.58Å; F434-Y439 HydrophobicContact CD1-CD1 3.58Å; F434-Y439 AromaticContact CD1-CD2 3.65Å; F434-Y439 HydrophobicContact CD1-CD2 3.65Å; F434-Y439 AromaticContact CD1-CE1 3.68Å; F434-Y439 HydrophobicContact CD1-CE1 3.68Å; F434-Y439 AromaticContact CD1-CE2 3.76Å; F434-Y439 HydrophobicContact CD1-CE2 3.76Å; F434-Y439 AromaticContact CD1-CG 3.54Å; F434-Y439 HydrophobicContact CD1-CG 3.54Å; F434-Y439 AromaticContact CD1-CZ 3.74Å; F434-Y439 HydrophobicContact CE1-CD1 4.28Å; F434-Y439 HydrophobicContact CE1-CD2 4Å; F434-Y439 AromaticContact CE1-CE1 3.93Å; F434-Y439 HydrophobicContact CE1-CE1 3.93Å; F434-Y439 AromaticContact CE1-CE2 3.63Å; F434-Y439 HydrophobicContact CE1-CE2 3.63Å; F434-Y439 HydrophobicContact CE1-CG 4.28Å; F434-Y439 AromaticContact CE1-CZ 3.56Å; F434-Y439 HydrophobicContact CG-CG 4.49Å; F434-Y439 WeakPolarHBondContact O-CB 3.27Å; F434-Y439 PolarHBondContact O-N 3.46Å; L437-Y439 PolarHBondContact O-N 3.28Å; Y439-F500 HydrophobicContact CE1-CE2 4.29Å
440	E	92.6	Very high	94.1	Very high	70 Å²	70	62.9 Å²	62.9	33%	0.327	33%	0.329	S	S	.	.			trans	-104.3	116.3	173.4	-163	-179.1	-171.7	0	0	109.9	R408 K444 K445	R408-E440 PolarHBondContact NH2-O 3.38Å; E440-K444 HydrophobicContact CG-CB 4Å; E440-K444 HydrophobicContact CG-CD 3.61Å; E440-K444 HydrophobicContact CG-CG 4.38Å; E440-K445 VanDerWaalsContact OE1-CE 3.27Å; E440-K445 WeakPolarHBondContact OE1-CE 3.17Å; E440-K445 WeakPolarHBondContact OE2-CE 3.42Å; E440-K445 IonicContact OE2-NZ 3.14Å; E440-K445 PolarHBondContact OE2-NZ 2.89Å
441	P	94.4	Very high	93.9	Very high	10 Å²	10	63.6 Å²	63.6	7%	0.065	33%	0.333	C	S	.	.			trans	-57.4	144.6	174.4	-26.6	36.9	0	0	0	111.8	E405 W443 K444 L457	E405-P441 WeakPolarHBondContact OE1-CA 3.15Å; E405-P441 WeakPolarHBondContact OE1-CB 3.27Å; P441-W443 HydrophobicContact CB-CD2 3.92Å; P441-W443 VanDerWaalsContact CB-CE2 3.43Å; P441-W443 HydrophobicContact CB-CG 4.24Å; P441-W443 HydrophobicContact CB-CH2 4.48Å; P441-W443 HydrophobicContact CB-CZ2 3.76Å; P441-W443 HydrophobicContact CG-CH2 4.44Å; P441-W443 HydrophobicContact CG-CZ2 3.88Å; P441-W443 PolarHBondContact O-N 3.46Å; P441-K444 WeakPolarHBondContact O-CB 3.5Å; P441-K444 PolarHBondContact O-N 3.41Å; P441-L457 HydrophobicContact CB-CD1 4.5Å; P441-L457 HydrophobicContact CG-CD1 3.34Å
442	I	92.9	Very high	93.7	Very high	35 Å²	35	67.2 Å²	67.2	18%	0.179	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-38.1	-175.6	-66.1	159	0	0	0	111.6	A359 V360 E405 R406 R408 K444	A359-I442 HydrophobicContact CB-CG2 4.03Å; V360-I442 HydrophobicContact CG2-CD1 4.18Å; V360-I442 HydrophobicContact CG2-CG2 3.56Å; E405-I442 HydrophobicContact CG-CD1 4.26Å; E405-I442 PolarHBondContact OE1-N 2.93Å; E405-I442 WeakPolarHBondContact OE2-CG1 3.43Å; E405-I442 PolarHBondContact OE2-N 3.43Å; E405-I442 VanDerWaalsContact OE2-N 3.15Å; R406-I442 WeakPolarHBondContact O-CD1 3.37Å; R408-I442 HydrophobicContact CB-CD1 4.37Å; R408-I442 HydrophobicContact CG-CD1 3.35Å; R408-I442 HydrophobicContact CG-CG1 3.86Å; I442-K444 PolarHBondContact O-N 2.88Å
443	W	93.4	Very high	93.2	Very high	16 Å²	16	67.5 Å²	67.5	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-71.2	-14	-178.2	52.8	-107.4	0	0	0	114.3	D356 A359 P441 K445 E446 R447 F500	D356-W443 HydrophobicContact CB-CB 3.82Å; D356-W443 HydrophobicContact CB-CG 4.27Å; D356-W443 WeakPolarHBondContact OD1-CB 3.35Å; A359-W443 HydrophobicContact CB-CB 4.18Å; P441-W443 HydrophobicContact CB-CD2 3.92Å; P441-W443 VanDerWaalsContact CB-CE2 3.43Å; P441-W443 HydrophobicContact CB-CG 4.24Å; P441-W443 HydrophobicContact CB-CH2 4.48Å; P441-W443 HydrophobicContact CB-CZ2 3.76Å; P441-W443 HydrophobicContact CG-CH2 4.44Å; P441-W443 HydrophobicContact CG-CZ2 3.88Å; P441-W443 PolarHBondContact O-N 3.46Å; W443-K445 VanDerWaalsContact C-N 3.34Å; W443-K445 PolarHBondContact O-N 3.17Å; W443-E446 PolarHBondContact O-N 3.49Å; W443-R447 HydrophobicContact CB-CG 4.38Å; W443-R447 VanDerWaalsContact CE3-CD 3.46Å; W443-R447 HydrophobicContact CE3-CG 4.08Å; W443-R447 VanDerWaalsContact CE3-CZ 3.41Å; W443-R447 WeakPolarHBondContact O-CB 3.33Å; W443-R447 WeakPolarHBondContact O-CG 3.44Å; W443-R447 PolarHBondContact O-N 2.94Å; W443-F500 HydrophobicContact CZ2-CB 4.47Å; W443-F500 PolarHBondContact NE1-O 2.95Å
444	K	93.3	Very high	92.5	Very high	64 Å²	64	70.7 Å²	70.7	28%	0.278	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-38.9	-169	-166.4	177.7	-173.1	176	0	113.2	E440 P441 I442 R452	E440-K444 HydrophobicContact CG-CB 4Å; E440-K444 HydrophobicContact CG-CD 3.61Å; E440-K444 HydrophobicContact CG-CG 4.38Å; P441-K444 WeakPolarHBondContact O-CB 3.5Å; P441-K444 PolarHBondContact O-N 3.41Å; I442-K444 PolarHBondContact O-N 2.88Å; K444-R452 HydrophobicContact CG-CB 4.49Å; K444-R452 VanDerWaalsContact O-CD 3.29Å; K444-R452 WeakPolarHBondContact O-CD 3.25Å; K444-R452 WeakPolarHBondContact O-CG 3.4Å; K444-R452 PolarHBondContact O-NE 3.42Å; K444-R452 VanDerWaalsContact O-NE 3.14Å
445	K	90.3	Very high	91.8	Very high	134 Å²	134	73.1 Å²	73.1	58%	0.583	40%	0.399	S	S	*	.	H	α-helix	trans	-78.8	-32.5	179.3	-68.1	-180	-179.1	154.2	0	112.3	E440 W443 R452	E440-K445 VanDerWaalsContact OE1-CE 3.27Å; E440-K445 WeakPolarHBondContact OE1-CE 3.17Å; E440-K445 WeakPolarHBondContact OE2-CE 3.42Å; E440-K445 IonicContact OE2-NZ 3.14Å; E440-K445 PolarHBondContact OE2-NZ 2.89Å; W443-K445 VanDerWaalsContact C-N 3.34Å; W443-K445 PolarHBondContact O-N 3.17Å; K445-R452 PolarHBondContact O-NH2 3.24Å; K445-R452 VanDerWaalsContact O-NH2 3.1Å
446	E	91.8	Very high	91.5	Very high	89 Å²	89	74.5 Å²	74.5	42%	0.416	40%	0.402	S	S	.	.	H	α-helix	trans	-79.2	-31.3	-177	-57	-53.9	137	0	0	112.6	W195 A359 W443	W195-E446 WeakPolarHBondContact CB-O 3.18Å; A359-E446 HydrophobicContact CB-CB 3.97Å; A359-E446 HydrophobicContact CB-CG 3.81Å; W443-E446 PolarHBondContact O-N 3.49Å
447	R	94.7	Very high	91.3	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.015	38%	0.379	C	S	.	.	S	Bend	trans	-66.7	144.6	174.4	-76.2	-169.5	-168.6	169.9	3.7	111.5	W195 D356 W443 L451 R452 V501	W195-R447 HydrophobicContact CG-CG 4.4Å; D356-R447 IonicContact OD1-CZ 2.68Å; D356-R447 IonicContact OD1-NE 2.7Å; D356-R447 PolarHBondContact OD1-NE 2.88Å; D356-R447 IonicContact OD1-NH2 2.73Å; D356-R447 IonicContact OD2-CZ 2.99Å; D356-R447 VanDerWaalsContact OD2-CZ 3.27Å; D356-R447 IonicContact OD2-NE 2.67Å; D356-R447 PolarHBondContact OD2-NE 2.83Å; D356-R447 IonicContact OD2-NH2 3.34Å; D356-R447 PolarHBondContact OD2-NH2 3.44Å; W443-R447 HydrophobicContact CB-CG 4.38Å; W443-R447 VanDerWaalsContact CE3-CD 3.46Å; W443-R447 HydrophobicContact CE3-CG 4.08Å; W443-R447 VanDerWaalsContact CE3-CZ 3.41Å; W443-R447 WeakPolarHBondContact O-CB 3.33Å; W443-R447 WeakPolarHBondContact O-CG 3.44Å; W443-R447 PolarHBondContact O-N 2.94Å; R447-L451 HydrophobicContact CB-CB 4.29Å; R447-L451 WeakPolarHBondContact CD-O 3.38Å; R447-L451 PolarHBondContact NH1-O 3.49Å; R447-R452 HydrophobicContact CB-CG 4.45Å; R447-R452 PolarHBondContact O-NE 2.92Å; R447-R452 PolarHBondContact O-NH2 2.88Å; R447-V501 PolarHBondContact NH1-OXT 3.06Å; R447-V501 PolarHBondContact NH2-OXT 3.49Å
448	P	93.8	Very high	91.3	Very high	30 Å²	30	73.2 Å²	73.2	20%	0.195	38%	0.38	C	S	.	.			trans	-54.1	150	167.2	-23.3	33.2	0	0	0	111.4	W195 M201 S450 L451 R452	W195-P448 HydrophobicContact CE3-CG 4.23Å; M201-P448 HydrophobicContact CB-CG 4.39Å; M201-P448 HydrophobicContact CG-CG 4.16Å; P448-S450 PolarHBondContact O-N 3.45Å; P448-S450 VanDerWaalsContact O-N 3.08Å; P448-L451 PolarHBondContact O-N 2.82Å; P448-R452 WeakPolarHBondContact O-CG 3.43Å
449	A	92.4	Very high	91.6	Very high	79 Å²	79	63.2 Å²	63.2	65%	0.653	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-52.8	-36.6	-175.7	0	0	0	0	0	113.5	L451 R452	A449-L451 PolarHBondContact O-N 2.92Å; A449-R452 PolarHBondContact O-N 3.39Å
450	S	92.2	Very high	91.8	Very high	88 Å²	88	64 Å²	64	62%	0.615	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18.5	177.3	53.1	0	0	0	0	114.6	P448	P448-S450 PolarHBondContact O-N 3.45Å; P448-S450 VanDerWaalsContact O-N 3.08Å
451	L	94.2	Very high	92	Very high	15 Å²	15	61.7 Å²	61.7	8%	0.079	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-113	8.2	-176.6	-60	-175.2	0	0	0	113.7	W195 M201 P347 R447 P448 A449 G453	W195-L451 HydrophobicContact CH2-CD1 3.62Å; W195-L451 HydrophobicContact CZ2-CD1 4.2Å; W195-L451 HydrophobicContact CZ3-CD1 3.85Å; M201-L451 HydrophobicContact CE-CD2 4.18Å; M201-L451 HydrophobicContact CG-CD1 3.69Å; M201-L451 HydrophobicContact CG-CG 4.2Å; M201-L451 HydrophobicContact SD-CD1 3.96Å; P347-L451 HydrophobicContact CG-CD1 4.31Å; R447-L451 HydrophobicContact CB-CB 4.29Å; R447-L451 WeakPolarHBondContact CD-O 3.38Å; R447-L451 PolarHBondContact NH1-O 3.49Å; P448-L451 PolarHBondContact O-N 2.82Å; A449-L451 PolarHBondContact O-N 2.92Å; L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.27Å
452	R	92.4	Very high	92.2	Very high	105 Å²	105	62.3 Å²	62.3	40%	0.396	35%	0.348	S	S	.	.	S	Bend	trans	-78.4	-12.6	-179.7	-63.4	-174.5	-179.5	172.1	-6.6	114	K444 K445 R447 P448 A449	K444-R452 HydrophobicContact CG-CB 4.49Å; K444-R452 VanDerWaalsContact O-CD 3.29Å; K444-R452 WeakPolarHBondContact O-CD 3.25Å; K444-R452 WeakPolarHBondContact O-CG 3.4Å; K444-R452 PolarHBondContact O-NE 3.42Å; K444-R452 VanDerWaalsContact O-NE 3.14Å; K445-R452 PolarHBondContact O-NH2 3.24Å; K445-R452 VanDerWaalsContact O-NH2 3.1Å; R447-R452 HydrophobicContact CB-CG 4.45Å; R447-R452 PolarHBondContact O-NE 2.92Å; R447-R452 PolarHBondContact O-NH2 2.88Å; P448-R452 WeakPolarHBondContact O-CG 3.43Å; A449-R452 PolarHBondContact O-N 3.39Å
453	G	85.8	Confident	92.4	Very high	69 Å²	69	60.8 Å²	60.8	71%	0.711	34%	0.34	S	S	*	.			trans	73.1	-174.8	177.4	0	0	0	0	0	114.6	L451 G455	L451-G453 VanDerWaalsContact C-N 3.3Å; L451-G453 PolarHBondContact O-N 3.27Å; G453-G455 VanDerWaalsContact C-N 3.31Å
454	D	84.1	Confident	92.7	Very high	118 Å²	118	60.8 Å²	60.8	63%	0.631	34%	0.342	S	S	*	.	S	Bend	trans	-89.1	6.3	-179.2	67.8	-10.2	0	0	0	113.4	K456	D454-K456 VanDerWaalsContact OD1-CB 3.26Å; D454-K456 WeakPolarHBondContact OD1-CB 3.36Å; D454-K456 WeakPolarHBondContact OD1-CG 3.46Å; D454-K456 PolarHBondContact OD1-N 2.78Å; D454-K456 VanDerWaalsContact OD2-CD 3.3Å; D454-K456 WeakPolarHBondContact OD2-CD 3.26Å; D454-K456 WeakPolarHBondContact OD2-CE 3.3Å; D454-K456 IonicContact OD2-NZ 3.71Å; D454-K456 PolarHBondContact OD2-NZ 3.41Å
455	G	80.9	Confident	92.8	Very high	54 Å²	54	59.1 Å²	59.1	56%	0.557	34%	0.336	S	S	*	.	S	Bend	trans	88.9	-3	-175.3	0	0	0	0	0	114.7	G453	G453-G455 VanDerWaalsContact C-N 3.31Å
456	K	87.7	Confident	93	Very high	150 Å²	150	55.8 Å²	55.8	65%	0.652	34%	0.339	S	S	*	.			trans	-74.2	128.4	169.8	-66.2	177	-172.6	157.3	0	110.3	D454	D454-K456 VanDerWaalsContact OD1-CB 3.26Å; D454-K456 WeakPolarHBondContact OD1-CB 3.36Å; D454-K456 WeakPolarHBondContact OD1-CG 3.46Å; D454-K456 PolarHBondContact OD1-N 2.78Å; D454-K456 VanDerWaalsContact OD2-CD 3.3Å; D454-K456 WeakPolarHBondContact OD2-CD 3.26Å; D454-K456 WeakPolarHBondContact OD2-CE 3.3Å; D454-K456 IonicContact OD2-NZ 3.71Å; D454-K456 PolarHBondContact OD2-NZ 3.41Å
457	L	92	Very high	93.3	Very high	21 Å²	21	53.5 Å²	53.5	11%	0.11	33%	0.33	C	S	.	.			trans	-85.4	130	175	-164.9	61.5	0	0	0	109.2	L431 F434 P441 F500	L431-L457 HydrophobicContact CD2-CB 3.96Å; L431-L457 HydrophobicContact CD2-CD2 4.16Å; L431-L457 HydrophobicContact CD2-CG 3.89Å; L431-L457 VanDerWaalsContact CD2-O 3.29Å; L431-L457 WeakPolarHBondContact CD2-O 3.33Å; F434-L457 HydrophobicContact CB-CD2 3.8Å; P441-L457 HydrophobicContact CB-CD1 4.5Å; P441-L457 HydrophobicContact CG-CD1 3.34Å; L457-F500 HydrophobicContact CD1-CB 3.6Å; L457-F500 HydrophobicContact CD1-CD1 3.72Å; L457-F500 HydrophobicContact CD1-CD2 3.95Å; L457-F500 HydrophobicContact CD1-CE1 4.34Å; L457-F500 HydrophobicContact CD1-CG 3.5Å; L457-F500 HydrophobicContact CD2-CD1 3.83Å; L457-F500 HydrophobicContact CD2-CD2 4.25Å; L457-F500 HydrophobicContact CD2-CE1 3.58Å; L457-F500 HydrophobicContact CD2-CE2 4.03Å; L457-F500 HydrophobicContact CD2-CG 4.17Å; L457-F500 HydrophobicContact CD2-CZ 3.69Å; L457-F500 HydrophobicContact CG-CB 4.39Å; L457-F500 HydrophobicContact CG-CD1 3.57Å; L457-F500 HydrophobicContact CG-CD2 4.43Å; L457-F500 HydrophobicContact CG-CE1 3.82Å; L457-F500 HydrophobicContact CG-CG 3.91Å; L457-F500 HydrophobicContact CG-CZ 4.36Å
458	R	94.5	Very high	93.5	Very high	112 Å²	112	55 Å²	55	42%	0.423	34%	0.339	S	S	.	.			trans	-125.3	145.9	174.9	-62.8	179.1	-62.3	141.4	13	109.3	D349 F500 V501	D349-R458 IonicContact OD1-NH2 2.55Å; D349-R458 PolarHBondContact OD1-NH2 2.57Å; D349-R458 IonicContact OD2-CZ 3.05Å; D349-R458 IonicContact OD2-NH1 2.7Å; D349-R458 PolarHBondContact OD2-NH1 3.25Å; D349-R458 IonicContact OD2-NH2 3.64Å; D349-R458 PolarHBondContact OD2-NH2 3.21Å; R458-F500 CarbonylContact O-C 3.55Å; R458-F500 VanDerWaalsContact O-CA 3.22Å; R458-F500 WeakPolarHBondContact O-CA 3.42Å; R458-V501 HydrophobicContact CB-CG2 4.37Å; R458-V501 PolarHBondContact NE-O 3.03Å; R458-V501 PolarHBondContact NH2-O 3.45Å; R458-V501 VanDerWaalsContact NH2-O 3.13Å; R458-V501 PolarHBondContact O-N 3.44Å
459	V	97	Very high	93.7	Very high	23 Å²	23	54.6 Å²	54.6	14%	0.139	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.2	177.1	171.2	0	0	0	0	109.2	E427 L431 I462 V498 F500	E427-V459 HydrophobicContact CG-CB 3.9Å; E427-V459 HydrophobicContact CG-CG1 4.39Å; E427-V459 HydrophobicContact CG-CG2 3.85Å; L431-V459 HydrophobicContact CD1-CG2 4.47Å; L431-V459 HydrophobicContact CD2-CG2 3.89Å; L431-V459 HydrophobicContact CG-CG2 3.99Å; V459-I462 HydrophobicContact CG1-CD1 3.97Å; V459-I462 HydrophobicContact CG1-CG1 3.69Å; V459-V498 HydrophobicContact CG1-CG2 4.07Å; V459-V498 HydrophobicContact CG2-CG2 3.94Å; V459-F500 HydrophobicContact CG2-CD1 4.08Å; V459-F500 HydrophobicContact CG2-CE1 3.94Å
460	H	96.9	Very high	94	Very high	57 Å²	57	51.2 Å²	51.2	26%	0.264	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-40.7	167.4	-178.2	68	0	0	0	111.3	A353 V499 V501	A353-H460 HydrophobicContact CB-CB 4.5Å; A353-H460 WeakPolarHBondContact CB-CD2 3.35Å; H460-V499 HydrophobicContact CB-CB 4.25Å; H460-V499 HydrophobicContact CB-CG1 3.99Å; H460-V499 WeakPolarHBondContact CB-O 3.27Å; H460-V499 PolarHBondContact N-O 3.3Å; H460-V501 HydrophobicContact CB-CB 4.35Å; H460-V501 HydrophobicContact CB-CG1 3.67Å; H460-V501 HydrophobicContact CB-CG2 3.84Å
461	G	97.3	Very high	94.3	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	152.9	177.8	0	0	0	0	0	112.4	V498 V499	G461-V498 WeakPolarHBondContact O-CA 3.48Å; G461-V499 PolarHBondContact N-O 2.9Å; G461-V499 PolarHBondContact O-N 3.48Å
462	I	98.3	Very high	94.5	Very high	24 Å²	24	50.6 Å²	50.6	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.1	173.2	-58.6	164.9	0	0	0	107.3	L426 E427 V430 V459 F496 E497 V498	L426-I462 HydrophobicContact CD2-CB 4.46Å; L426-I462 HydrophobicContact CD2-CD1 4.3Å; L426-I462 HydrophobicContact CD2-CG2 3.96Å; L426-I462 HydrophobicContact CG-CD1 4.02Å; E427-I462 HydrophobicContact CB-CD1 4.4Å; V430-I462 HydrophobicContact CB-CD1 4.34Å; V430-I462 HydrophobicContact CG2-CD1 3.97Å; V459-I462 HydrophobicContact CG1-CD1 3.97Å; V459-I462 HydrophobicContact CG1-CG1 3.69Å; I462-F496 HydrophobicContact CG2-CB 3.76Å; I462-F496 HydrophobicContact CG2-CD1 4.28Å; I462-F496 HydrophobicContact CG2-CG 4.09Å; I462-E497 WeakPolarHBondContact CA-O 3.3Å; I462-V498 HydrophobicContact CG1-CB 4.11Å; I462-V498 HydrophobicContact CG1-CG2 3.8Å
463	Y	98.3	Very high	94.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154	-176.3	52.2	-88.2	0	0	0	111.3	L467 A472 F496 E497 V499	Y463-L467 HydrophobicContact CD2-CB 4.26Å; Y463-L467 HydrophobicContact CD2-CD1 4.36Å; Y463-A472 HydrophobicContact CD1-CB 3.82Å; Y463-A472 HydrophobicContact CD2-CB 3.76Å; Y463-A472 HydrophobicContact CE1-CB 3.58Å; Y463-A472 HydrophobicContact CE2-CB 3.49Å; Y463-A472 VanDerWaalsContact CE2-CB 3.49Å; Y463-A472 HydrophobicContact CG-CB 3.92Å; Y463-A472 VanDerWaalsContact CZ-CB 3.41Å; Y463-F496 CarbonylContact O-C 3.45Å; Y463-F496 VanDerWaalsContact O-CA 3.23Å; Y463-F496 WeakPolarHBondContact O-CA 3.46Å; Y463-F496 WeakPolarHBondContact O-CB 3.39Å; Y463-E497 HydrophobicContact CD2-CB 4.26Å; Y463-E497 HydrophobicContact CE1-CB 4.43Å; Y463-E497 HydrophobicContact CE2-CB 3.62Å; Y463-E497 HydrophobicContact CE2-CG 4.37Å; Y463-E497 WeakPolarHBondContact CE2-OE2 3.5Å; Y463-E497 PolarHBondContact N-O 3.21Å; Y463-E497 PolarHBondContact O-N 3.39Å; Y463-V499 HydrophobicContact CE1-CG2 3.76Å
464	P	97.9	Very high	95.2	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.104	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	141.7	174.3	-24.2	33.8	0	0	0	111.5	F476 F478 F496	P464-F476 HydrophobicContact CG-CE1 4.42Å; P464-F476 HydrophobicContact CG-CE2 4.35Å; P464-F476 HydrophobicContact CG-CZ 3.86Å; P464-F478 HydrophobicContact CG-CZ 4.15Å; P464-F496 HydrophobicContact CG-CD1 4.36Å; P464-F496 HydrophobicContact CG-CE1 4.19Å
465	I	96.8	Very high	95.8	Very high	30 Å²	30	45 Å²	45	15%	0.154	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	148.7	173.3	-163.5	166.8	0	0	0	111.1	T372 M411 K495 E497	T372-I465 HydrophobicContact CG2-CD1 3.7Å; T372-I465 HydrophobicContact CG2-CG1 4.33Å; M411-I465 HydrophobicContact CE-CD1 3.51Å; I465-K495 HydrophobicContact CB-CB 4.2Å; I465-K495 HydrophobicContact CG2-CB 3.56Å; I465-K495 HydrophobicContact CG2-CD 4.42Å; I465-K495 PolarHBondContact N-O 2.89Å; I465-E497 HydrophobicContact CB-CG 4.45Å; I465-E497 HydrophobicContact CG1-CG 4.21Å
466	G	94.9	Very high	96.6	Very high	63 Å²	63	45.3 Å²	45.3	65%	0.649	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.5	-4	176.9	0	0	0	0	0	115
467	L	97.9	Very high	97	Very high	42 Å²	42	46.6 Å²	46.6	22%	0.22	24%	0.243	C	C	.	.			trans	-71.9	146.7	168.3	-61.7	-169.6	0	0	0	111.5	Y463 Q471 F476	Y463-L467 HydrophobicContact CD2-CB 4.26Å; Y463-L467 HydrophobicContact CD2-CD1 4.36Å; L467-Q471 HydrophobicContact CB-CB 4.05Å; L467-Q471 HydrophobicContact CD1-CB 4.37Å; L467-F476 HydrophobicContact CD1-CB 3.61Å; L467-F476 HydrophobicContact CD1-CD1 3.97Å; L467-F476 HydrophobicContact CD1-CD2 3.56Å; L467-F476 HydrophobicContact CD1-CE2 4.24Å; L467-F476 HydrophobicContact CD1-CG 3.4Å; L467-F476 VanDerWaalsContact CD1-CG 3.4Å
468	T	98.3	Very high	97.2	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.209	24%	0.243	C	C	.	.			trans	-67.3	161.6	168.8	62.2	0	0	0	0	110.8	S185 R470 Q471 A472	S185-T468 WeakPolarHBondContact O-CG2 3.42Å; T468-R470 VanDerWaalsContact C-N 3.29Å; T468-R470 PolarHBondContact O-N 3.09Å; T468-Q471 WeakPolarHBondContact O-CB 3.37Å; T468-Q471 PolarHBondContact O-N 3.38Å; T468-Q471 VanDerWaalsContact O-N 3.15Å; T468-Q471 VanDerWaalsContact OG1-CG 3.32Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.36Å; T468-Q471 PolarHBondContact OG1-N 2.85Å; T468-Q471 PolarHBondContact OG1-OE1 3.36Å; T468-A472 WeakPolarHBondContact O-CB 3.36Å; T468-A472 PolarHBondContact O-N 2.87Å
469	Q	98.2	Very high	97.2	Very high	22 Å²	22	49.9 Å²	49.9	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-32.1	179.9	-65.4	-62.6	-54	0	0	112.5	L184 P189 M357 A472 L473	L184-Q469 HydrophobicContact CB-CB 4.43Å; L184-Q469 PolarHBondContact O-N 3.43Å; L184-Q469 VanDerWaalsContact O-N 3.11Å; P189-Q469 HydrophobicContact CG-CB 4.08Å; P189-Q469 HydrophobicContact CG-CG 4.02Å; M357-Q469 HydrophobicContact SD-CB 4.24Å; M357-Q469 HydrophobicContact SD-CG 3.73Å; Q469-A472 PolarHBondContact O-N 2.99Å; Q469-L473 VanDerWaalsContact O-CB 3.3Å; Q469-L473 WeakPolarHBondContact O-CB 3.08Å; Q469-L473 WeakPolarHBondContact O-CG 3.27Å; Q469-L473 PolarHBondContact O-N 3.25Å
470	R	98.3	Very high	97.2	Very high	9 Å²	9	50.3 Å²	50.3	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-50.2	170	166.5	57.6	106.2	-102.2	-39	110.8	L184 S185 E275 D276 N299 E302 T468 Y474 N475	L184-R470 HydrophobicContact CB-CB 3.76Å; L184-R470 PolarHBondContact O-N 3.38Å; S185-R470 WeakPolarHBondContact OG-CB 3.28Å; E275-R470 IonicContact OE1-CZ 2.63Å; E275-R470 IonicContact OE1-NE 2.99Å; E275-R470 IonicContact OE1-NH2 3.19Å; E275-R470 PolarHBondContact OE1-NH2 3.32Å; E275-R470 IonicContact OE2-CZ 3.84Å; E275-R470 IonicContact OE2-NE 3.3Å; E275-R470 IonicContact OE2-NH2 2.76Å; D276-R470 IonicContact OD1-CZ 3.15Å; D276-R470 IonicContact OD1-NH1 2.94Å; D276-R470 PolarHBondContact OD1-NH1 2.78Å; D276-R470 IonicContact OD1-NH2 2.99Å; D276-R470 PolarHBondContact OD1-NH2 3.31Å; D276-R470 IonicContact OD2-CZ 2.62Å; D276-R470 IonicContact OD2-NH1 3.68Å; D276-R470 IonicContact OD2-NH2 3.93Å; D276-R470 PolarHBondContact OD2-NH2 3.4Å; N299-R470 PolarHBondContact ND2-NH1 2.85Å; E302-R470 IonicContact OE2-CZ 3.87Å; E302-R470 IonicContact OE2-NH1 3.71Å; E302-R470 PolarHBondContact OE2-NH1 2.84Å; T468-R470 VanDerWaalsContact C-N 3.29Å; T468-R470 PolarHBondContact O-N 3.09Å; R470-Y474 PolarHBondContact O-N 3.1Å; R470-N475 WeakPolarHBondContact CD-OD1 3.46Å; R470-N475 VanDerWaalsContact CG-OD1 3.23Å; R470-N475 WeakPolarHBondContact CG-OD1 3.25Å; R470-N475 PolarHBondContact O-N 3.44Å; R470-N475 PolarHBondContact O-OD1 2.92Å
471	Q	98.3	Very high	97.2	Very high	78 Å²	78	51.2 Å²	51.2	36%	0.364	28%	0.279	S	S	.	.	I	π-helix	trans	-62.2	-51.6	177.1	-73	167.2	-47	0	0	111.3	L467 T468 L473 N475 F476	L467-Q471 HydrophobicContact CB-CB 4.05Å; L467-Q471 HydrophobicContact CD1-CB 4.37Å; T468-Q471 WeakPolarHBondContact O-CB 3.37Å; T468-Q471 PolarHBondContact O-N 3.38Å; T468-Q471 VanDerWaalsContact O-N 3.15Å; T468-Q471 VanDerWaalsContact OG1-CG 3.32Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.36Å; T468-Q471 PolarHBondContact OG1-N 2.85Å; T468-Q471 PolarHBondContact OG1-OE1 3.36Å; Q471-L473 VanDerWaalsContact C-N 3.33Å; Q471-L473 PolarHBondContact O-N 3.25Å; Q471-N475 PolarHBondContact O-N 2.85Å; Q471-N475 VanDerWaalsContact O-N 3.13Å; Q471-F476 VanDerWaalsContact O-CB 3.26Å; Q471-F476 WeakPolarHBondContact O-CB 3.46Å; Q471-F476 PolarHBondContact O-N 3.33Å
472	A	98.1	Very high	97.1	Very high	11 Å²	11	54.6 Å²	54.6	9%	0.091	30%	0.299	C	S	.	.	I	π-helix	trans	-59.1	-39.4	-176.7	0	0	0	0	0	114	Y463 T468 Q469	Y463-A472 HydrophobicContact CD1-CB 3.82Å; Y463-A472 HydrophobicContact CD2-CB 3.76Å; Y463-A472 HydrophobicContact CE1-CB 3.58Å; Y463-A472 HydrophobicContact CE2-CB 3.49Å; Y463-A472 VanDerWaalsContact CE2-CB 3.49Å; Y463-A472 HydrophobicContact CG-CB 3.92Å; Y463-A472 VanDerWaalsContact CZ-CB 3.41Å; T468-A472 WeakPolarHBondContact O-CB 3.36Å; T468-A472 PolarHBondContact O-N 2.87Å; Q469-A472 PolarHBondContact O-N 2.99Å
473	L	97.6	Very high	97.1	Very high	20 Å²	20	55.7 Å²	55.7	11%	0.105	31%	0.308	C	S	.	.	I	π-helix	trans	-91	-34.7	-175	-65.7	175.4	0	0	0	113.2	A353 L354 Q469 Q471	A353-L473 HydrophobicContact CB-CD2 4.12Å; L354-L473 HydrophobicContact CD1-CD1 4.29Å; Q469-L473 VanDerWaalsContact O-CB 3.3Å; Q469-L473 WeakPolarHBondContact O-CB 3.08Å; Q469-L473 WeakPolarHBondContact O-CG 3.27Å; Q469-L473 PolarHBondContact O-N 3.25Å; Q471-L473 VanDerWaalsContact C-N 3.33Å; Q471-L473 PolarHBondContact O-N 3.25Å
474	Y	97.1	Very high	97.1	Very high	54 Å²	54	55.6 Å²	55.6	21%	0.212	31%	0.308	C	S	.	.	I	π-helix	trans	-126.1	-23.1	-165.2	-55.6	-73.2	0	0	0	115.1	L184 E302 R470	L184-Y474 HydrophobicContact CD1-CD2 4.38Å; L184-Y474 HydrophobicContact CD1-CE2 3.69Å; E302-Y474 HydrophobicContact CB-CD1 4.2Å; E302-Y474 HydrophobicContact CB-CE1 3.62Å; E302-Y474 HydrophobicContact CB-CE2 4.47Å; E302-Y474 HydrophobicContact CG-CD1 3.88Å; E302-Y474 HydrophobicContact CG-CE1 3.81Å; E302-Y474 HydrophobicContact CG-CG 4.46Å; E302-Y474 PolarHBondContact O-OH 3.02Å; R470-Y474 PolarHBondContact O-N 3.1Å
475	N	96.4	Very high	97	Very high	102 Å²	102	56 Å²	56	55%	0.545	31%	0.311	S	S	.	.	I	π-helix	trans	-112.8	-37.4	-174.7	-44.9	122.2	0	0	0	114.3	R470 Q471	R470-N475 WeakPolarHBondContact CD-OD1 3.46Å; R470-N475 VanDerWaalsContact CG-OD1 3.23Å; R470-N475 WeakPolarHBondContact CG-OD1 3.25Å; R470-N475 PolarHBondContact O-N 3.44Å; R470-N475 PolarHBondContact O-OD1 2.92Å; Q471-N475 PolarHBondContact O-N 2.85Å; Q471-N475 VanDerWaalsContact O-N 3.13Å
476	F	97.5	Very high	97	Very high	60 Å²	60	56.7 Å²	56.7	26%	0.263	32%	0.317	S	S	.	.			trans	-87.3	125.3	-172.3	-178.5	-88.7	0	0	0	110.9	P464 L467 Q471 F478	P464-F476 HydrophobicContact CG-CE1 4.42Å; P464-F476 HydrophobicContact CG-CE2 4.35Å; P464-F476 HydrophobicContact CG-CZ 3.86Å; L467-F476 HydrophobicContact CD1-CB 3.61Å; L467-F476 HydrophobicContact CD1-CD1 3.97Å; L467-F476 HydrophobicContact CD1-CD2 3.56Å; L467-F476 HydrophobicContact CD1-CE2 4.24Å; L467-F476 HydrophobicContact CD1-CG 3.4Å; L467-F476 VanDerWaalsContact CD1-CG 3.4Å; Q471-F476 VanDerWaalsContact O-CB 3.26Å; Q471-F476 WeakPolarHBondContact O-CB 3.46Å; Q471-F476 PolarHBondContact O-N 3.33Å; F476-F478 HydrophobicContact CE1-CD2 4.02Å; F476-F478 HydrophobicContact CE1-CE1 4.47Å; F476-F478 AromaticContact CE1-CE2 3.83Å; F476-F478 HydrophobicContact CE1-CE2 3.83Å; F476-F478 HydrophobicContact CE1-CG 4.41Å; F476-F478 HydrophobicContact CE1-CZ 4.06Å; F476-F478 HydrophobicContact CZ-CD1 4.11Å; F476-F478 HydrophobicContact CZ-CD2 4.29Å; F476-F478 AromaticContact CZ-CE1 3.85Å; F476-F478 HydrophobicContact CZ-CE1 3.85Å; F476-F478 HydrophobicContact CZ-CE2 4.04Å; F476-F478 HydrophobicContact CZ-CG 4.31Å; F476-F478 AromaticContact CZ-CZ 3.8Å; F476-F478 HydrophobicContact CZ-CZ 3.8Å
477	K	95.5	Very high	97.1	Very high	176 Å²	176	55.9 Å²	55.9	77%	0.765	30%	0.296	S	S	*	.			trans	-143.9	146.5	161.7	-62.9	-175.5	-178.9	178.9	0	107.5	E479	K477-E479 PolarHBondContact O-N 3.3Å
478	F	96.7	Very high	97.1	Very high	21 Å²	21	54 Å²	54	9%	0.092	29%	0.287	C	S	.	.			trans	-65.2	127.1	166	-71	-74.7	0	0	0	109	L423 P464 F476 G480 L484 H487 F496	L423-F478 HydrophobicContact CD1-CB 4.34Å; L423-F478 HydrophobicContact CD2-CB 3.63Å; L423-F478 HydrophobicContact CD2-CD2 3.67Å; L423-F478 HydrophobicContact CD2-CG 3.93Å; P464-F478 HydrophobicContact CG-CZ 4.15Å; F476-F478 HydrophobicContact CE1-CD2 4.02Å; F476-F478 HydrophobicContact CE1-CE1 4.47Å; F476-F478 AromaticContact CE1-CE2 3.83Å; F476-F478 HydrophobicContact CE1-CE2 3.83Å; F476-F478 HydrophobicContact CE1-CG 4.41Å; F476-F478 HydrophobicContact CE1-CZ 4.06Å; F476-F478 HydrophobicContact CZ-CD1 4.11Å; F476-F478 HydrophobicContact CZ-CD2 4.29Å; F476-F478 AromaticContact CZ-CE1 3.85Å; F476-F478 HydrophobicContact CZ-CE1 3.85Å; F476-F478 HydrophobicContact CZ-CE2 4.04Å; F476-F478 HydrophobicContact CZ-CG 4.31Å; F476-F478 AromaticContact CZ-CZ 3.8Å; F476-F478 HydrophobicContact CZ-CZ 3.8Å; F478-G480 PolarHBondContact O-N 2.95Å; F478-L484 HydrophobicContact CB-CB 4.49Å; F478-L484 HydrophobicContact CD1-CB 4.02Å; F478-L484 HydrophobicContact CD1-CD1 4.3Å; F478-L484 HydrophobicContact CD2-CD1 4.21Å; F478-L484 HydrophobicContact CE1-CB 4.42Å; F478-L484 HydrophobicContact CE1-CD1 3.96Å; F478-L484 HydrophobicContact CE2-CD1 3.86Å; F478-L484 HydrophobicContact CG-CB 4.12Å; F478-L484 HydrophobicContact CG-CD1 4.42Å; F478-L484 HydrophobicContact CZ-CD1 3.73Å; F478-H487 HydrophobicContact CE1-CB 4Å; F478-F496 HydrophobicContact CE2-CE1 4.42Å; F478-F496 AromaticContact CZ-CE1 3.84Å; F478-F496 HydrophobicContact CZ-CE1 3.84Å
479	E	94.8	Very high	96.9	Very high	181 Å²	181	57.2 Å²	57.2	85%	0.846	30%	0.299	S	S	*	.	S	Bend	trans	-74.2	62.8	175.4	-63.2	-178.8	177.3	0	0	110.4	K477	K477-E479 PolarHBondContact O-N 3.3Å
480	G	95.1	Very high	96.8	Very high	32 Å²	32	65.5 Å²	65.5	33%	0.33	33%	0.33	S	S	.	.	H	α-helix	trans	80.5	-179	-176.8	0	0	0	0	0	115	F478 S482 S483 L484	F478-G480 PolarHBondContact O-N 2.95Å; G480-S482 VanDerWaalsContact C-N 3.29Å; G480-S482 PolarHBondContact O-N 3.45Å; G480-S483 PolarHBondContact O-N 2.85Å; G480-L484 PolarHBondContact O-N 3.18Å
481	N	97.2	Very high	96.7	Very high	77 Å²	77	68.5 Å²	68.5	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-32.8	-173.9	-65.3	-24.6	0	0	0	113.2	T422 L423 S483 L484 S485	T422-N481 WeakPolarHBondContact CA-OD1 3.25Å; T422-N481 WeakPolarHBondContact CB-OD1 3.29Å; T422-N481 HydrophobicContact CG2-CB 4.36Å; L423-N481 PolarHBondContact N-OD1 3.28Å; N481-S483 PolarHBondContact O-N 2.7Å; N481-L484 PolarHBondContact O-N 2.06Å; N481-S485 WeakPolarHBondContact O-CB 3.23Å; N481-S485 PolarHBondContact O-N 2.85Å
482	S	96.9	Very high	96.4	Very high	92 Å²	92	69.4 Å²	69.4	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-65.5	-39.1	179.8	-178.7	0	0	0	0	112.4	G480 S485 T486	G480-S482 VanDerWaalsContact C-N 3.29Å; G480-S482 PolarHBondContact O-N 3.45Å; S482-S485 PolarHBondContact O-N 3.49Å; S482-T486 WeakPolarHBondContact O-CB 3.4Å; S482-T486 PolarHBondContact O-N 2.87Å; S482-T486 PolarHBondContact O-OG1 3.28Å
483	S	97.1	Very high	96.3	Very high	47 Å²	47	69.1 Å²	69.1	33%	0.329	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-44.3	176.5	-176.7	0	0	0	0	111.3	G480 N481 H487	G480-S483 PolarHBondContact O-N 2.85Å; N481-S483 PolarHBondContact O-N 2.7Å; S483-H487 WeakPolarHBondContact O-CB 3.34Å; S483-H487 PolarHBondContact O-N 2.86Å
484	L	97.5	Very high	96.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-50.7	174.1	175.8	66.1	0	0	0	112	T422 L423 L426 F478 G480 N481 T486 H487 I488	T422-L484 WeakPolarHBondContact O-CD2 3.46Å; L423-L484 HydrophobicContact CD2-CB 4.22Å; L423-L484 HydrophobicContact CD2-CD2 3.97Å; L423-L484 HydrophobicContact CG-CD2 4.39Å; L426-L484 HydrophobicContact CB-CD2 4.13Å; L426-L484 HydrophobicContact CD2-CD1 3.84Å; L426-L484 HydrophobicContact CD2-CD2 4.07Å; F478-L484 HydrophobicContact CB-CB 4.49Å; F478-L484 HydrophobicContact CD1-CB 4.02Å; F478-L484 HydrophobicContact CD1-CD1 4.3Å; F478-L484 HydrophobicContact CD2-CD1 4.21Å; F478-L484 HydrophobicContact CE1-CB 4.42Å; F478-L484 HydrophobicContact CE1-CD1 3.96Å; F478-L484 HydrophobicContact CE2-CD1 3.86Å; F478-L484 HydrophobicContact CG-CB 4.12Å; F478-L484 HydrophobicContact CG-CD1 4.42Å; F478-L484 HydrophobicContact CZ-CD1 3.73Å; G480-L484 PolarHBondContact O-N 3.18Å; N481-L484 PolarHBondContact O-N 2.06Å; L484-T486 VanDerWaalsContact C-N 3.31Å; L484-T486 PolarHBondContact O-N 2.83Å; L484-H487 WeakPolarHBondContact O-CB 3.14Å; L484-H487 PolarHBondContact O-N 3.23Å; L484-H487 VanDerWaalsContact O-N 3.09Å; L484-I488 HydrophobicContact CD1-CD1 3.74Å; L484-I488 HydrophobicContact CD1-CG1 4.1Å; L484-I488 HydrophobicContact CD2-CD1 4.34Å; L484-I488 HydrophobicContact CG-CD1 3.78Å; L484-I488 HydrophobicContact CG-CG1 4.44Å; L484-I488 WeakPolarHBondContact O-CG1 3.44Å; L484-I488 PolarHBondContact O-N 2.96Å
485	S	96.9	Very high	96.3	Very high	25 Å²	25	67 Å²	67	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-57	-46.7	179.9	178.4	0	0	0	0	111.2	L421 N481 S482 H487 I488 Q489	L421-S485 WeakPolarHBondContact CD1-OG 3.43Å; N481-S485 WeakPolarHBondContact O-CB 3.23Å; N481-S485 PolarHBondContact O-N 2.85Å; S482-S485 PolarHBondContact O-N 3.49Å; S485-H487 VanDerWaalsContact C-N 3.32Å; S485-H487 PolarHBondContact O-N 2.69Å; S485-I488 PolarHBondContact O-N 3.36Å; S485-Q489 WeakPolarHBondContact O-CB 3.41Å; S485-Q489 VanDerWaalsContact O-CG 3.27Å; S485-Q489 WeakPolarHBondContact O-CG 3.17Å; S485-Q489 PolarHBondContact O-N 3.03Å
486	T	96.9	Very high	96.4	Very high	45 Å²	45	62.1 Å²	62.1	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-59.1	-42.5	175.3	-59.8	0	0	0	0	111.8	S482 L484 R490	S482-T486 WeakPolarHBondContact O-CB 3.4Å; S482-T486 PolarHBondContact O-N 2.87Å; S482-T486 PolarHBondContact O-OG1 3.28Å; L484-T486 VanDerWaalsContact C-N 3.31Å; L484-T486 PolarHBondContact O-N 2.83Å; T486-R490 HydrophobicContact CG2-CG 4.36Å; T486-R490 VanDerWaalsContact O-CB 3.3Å; T486-R490 WeakPolarHBondContact O-CB 3.49Å; T486-R490 VanDerWaalsContact O-CG 3.26Å; T486-R490 WeakPolarHBondContact O-CG 3.25Å; T486-R490 PolarHBondContact O-N 3.47Å
487	H	97.3	Very high	96.4	Very high	45 Å²	45	60 Å²	60	21%	0.208	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-48.8	177.8	-177.5	92	0	0	0	111.7	F478 S483 L484 S485 Q489 R490 N491 F496	F478-H487 HydrophobicContact CE1-CB 4Å; S483-H487 WeakPolarHBondContact O-CB 3.34Å; S483-H487 PolarHBondContact O-N 2.86Å; L484-H487 WeakPolarHBondContact O-CB 3.14Å; L484-H487 PolarHBondContact O-N 3.23Å; L484-H487 VanDerWaalsContact O-N 3.09Å; S485-H487 VanDerWaalsContact C-N 3.32Å; S485-H487 PolarHBondContact O-N 2.69Å; H487-Q489 PolarHBondContact O-N 3.41Å; H487-R490 PolarHBondContact O-N 3.01Å; H487-N491 WeakPolarHBondContact O-CB 3.46Å; H487-N491 PolarHBondContact O-N 2.98Å; H487-N491 VanDerWaalsContact O-N 3.1Å; H487-N491 PolarHBondContact O-ND2 3.37Å; H487-F496 AromaticContact CD2-CE1 3.77Å; H487-F496 AromaticContact CD2-CZ 3.7Å; H487-F496 AromaticContact NE2-CE1 3.76Å; H487-F496 AromaticContact NE2-CZ 3.96Å
488	I	97.4	Very high	96.6	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-42.4	-179.9	-67.1	170.5	0	0	0	111	Y399 L401 L416 L421 L484 S485 R490 P494 F496	Y399-I488 HydrophobicContact CD1-CG2 3.71Å; Y399-I488 HydrophobicContact CE1-CG2 4.39Å; Y399-I488 HydrophobicContact CG-CG2 3.78Å; L401-I488 HydrophobicContact CD2-CD1 3.63Å; L401-I488 HydrophobicContact CD2-CG1 3.75Å; L401-I488 HydrophobicContact CD2-CG2 4.19Å; L416-I488 HydrophobicContact CD1-CD1 3.94Å; L421-I488 HydrophobicContact CD2-CD1 3.85Å; L421-I488 HydrophobicContact CD2-CG2 4.15Å; L484-I488 HydrophobicContact CD1-CD1 3.74Å; L484-I488 HydrophobicContact CD1-CG1 4.1Å; L484-I488 HydrophobicContact CD2-CD1 4.34Å; L484-I488 HydrophobicContact CG-CD1 3.78Å; L484-I488 HydrophobicContact CG-CG1 4.44Å; L484-I488 WeakPolarHBondContact O-CG1 3.44Å; L484-I488 PolarHBondContact O-N 2.96Å; S485-I488 PolarHBondContact O-N 3.36Å; I488-R490 PolarHBondContact O-N 3.02Å; I488-P494 HydrophobicContact CG1-CG 4.36Å; I488-P494 HydrophobicContact CG2-CG 4.47Å; I488-F496 HydrophobicContact CG1-CZ 4.35Å
489	Q	94.9	Very high	96.6	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	27%	0.273	S	S	.	.	H	α-helix	trans	-70.8	-30.5	-178.1	-71.6	175.9	-16.4	0	0	113.1	Y399 L421 S485 H487	Y399-Q489 HydrophobicContact CE1-CG 4.05Å; Y399-Q489 PolarHBondContact OH-NE2 3.39Å; L421-Q489 HydrophobicContact CD1-CG 4.3Å; S485-Q489 WeakPolarHBondContact O-CB 3.41Å; S485-Q489 VanDerWaalsContact O-CG 3.27Å; S485-Q489 WeakPolarHBondContact O-CG 3.17Å; S485-Q489 PolarHBondContact O-N 3.03Å; H487-Q489 PolarHBondContact O-N 3.41Å
490	R	95.5	Very high	96.7	Very high	197 Å²	197	42.2 Å²	42.2	74%	0.743	23%	0.233	S	C	*	.	H	α-helix	trans	-87.6	-21.3	-179	-71.9	-177.7	178.9	179.5	1.4	114.3	T486 H487 I488	T486-R490 HydrophobicContact CG2-CG 4.36Å; T486-R490 VanDerWaalsContact O-CB 3.3Å; T486-R490 WeakPolarHBondContact O-CB 3.49Å; T486-R490 VanDerWaalsContact O-CG 3.26Å; T486-R490 WeakPolarHBondContact O-CG 3.25Å; T486-R490 PolarHBondContact O-N 3.47Å; H487-R490 PolarHBondContact O-N 3.01Å; I488-R490 PolarHBondContact O-N 3.02Å
491	N	95.2	Very high	96.6	Very high	72 Å²	72	41.2 Å²	41.2	39%	0.385	22%	0.22	S	C	.	.	S	Bend	trans	-117.1	98.2	-176.6	-60.8	-79.7	0	0	0	109.1	H487 C493 P494	H487-N491 WeakPolarHBondContact O-CB 3.46Å; H487-N491 PolarHBondContact O-N 2.98Å; H487-N491 VanDerWaalsContact O-N 3.1Å; H487-N491 PolarHBondContact O-ND2 3.37Å; N491-C493 PolarHBondContact O-N 2.95Å; N491-P494 HydrophobicContact CB-CB 4.2Å; N491-P494 WeakPolarHBondContact O-CD 3.09Å
492	P	92.9	Very high	96.5	Very high	97 Å²	97	39.4 Å²	39.4	63%	0.63	21%	0.211	S	C	*	.	S	Bend	trans	-57.5	132.8	175.8	-23.6	33.5	0	0	0	111.2	C389	C389-P492 HydrophobicContact CB-CB 3.9Å; C389-P492 VanDerWaalsContact SG-C 3.59Å
493	C	95.6	Very high	96.5	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.034	19%	0.188	C	C	.	.	S	Bend	trans	54.8	53.1	-178.6	-67.3	0	0	0	0	111.6	C389 H400 Y402 N491	C389-C493 VanDerWaalsContact CA-SG 3.59Å; C389-C493 HydrophobicContact CB-CB 3.96Å; C389-C493 WeakPolarHBondContact CB-SG 3.45Å; C389-C493 WeakPolarHBondContact SG-CB 3.3Å; C389-C493 PolarHBondContact SG-N 3.38Å; C389-C493 CovalentContact SG-SG 2.03Å; C389-C493 PolarHBondContact SG-SG 2.95Å; H400-C493 WeakPolarHBondContact O-CA 3.44Å; Y402-C493 HydrophobicContact CD2-CB 4.14Å; Y402-C493 HydrophobicContact CE2-CB 3.84Å; N491-C493 PolarHBondContact O-N 2.95Å
494	P	96.9	Very high	96.5	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.045	18%	0.18	C	C	.	.			trans	-63.5	144.1	-173.6	31.8	-35	0	0	0	109.8	H400 L401 Y402 I488 N491 F496	H400-P494 WeakPolarHBondContact O-CD 3.11Å; L401-P494 HydrophobicContact CB-CG 4.18Å; L401-P494 HydrophobicContact CD2-CG 3.79Å; L401-P494 HydrophobicContact CG-CG 3.96Å; Y402-P494 PolarHBondContact N-O 2.98Å; I488-P494 HydrophobicContact CG1-CG 4.36Å; I488-P494 HydrophobicContact CG2-CG 4.47Å; N491-P494 HydrophobicContact CB-CB 4.2Å; N491-P494 WeakPolarHBondContact O-CD 3.09Å; P494-F496 HydrophobicContact CB-CE2 3.92Å; P494-F496 HydrophobicContact CB-CZ 3.92Å; P494-F496 HydrophobicContact CG-CE2 3.89Å; P494-F496 HydrophobicContact CG-CZ 4.17Å
495	K	98	Very high	96.4	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.5	-176.1	-72.5	170.9	163.3	-168.7	0	110.1	E379 Y402 M411 I465	E379-K495 IonicContact OE1-NZ 3.52Å; E379-K495 PolarHBondContact OE1-NZ 3.16Å; E379-K495 WeakPolarHBondContact OE2-CE 3.38Å; E379-K495 IonicContact OE2-NZ 3.98Å; E379-K495 PolarHBondContact OE2-NZ 3.33Å; Y402-K495 CarbonylContact O-C 3.21Å; Y402-K495 WeakPolarHBondContact O-CA 3.34Å; M411-K495 HydrophobicContact CE-CD 3.88Å; M411-K495 HydrophobicContact CE-CG 4.32Å; M411-K495 HydrophobicContact SD-CB 4.24Å; M411-K495 HydrophobicContact SD-CD 3.86Å; M411-K495 HydrophobicContact SD-CG 3.75Å; I465-K495 HydrophobicContact CB-CB 4.2Å; I465-K495 HydrophobicContact CG2-CB 3.56Å; I465-K495 HydrophobicContact CG2-CD 4.42Å; I465-K495 PolarHBondContact N-O 2.89Å
496	F	98.5	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.1	177.4	-53.9	-80.3	0	0	0	111.7	L401 Y402 V403 R404 I462 Y463 P464 F478 H487 I488 P494	L401-F496 HydrophobicContact CB-CE2 4.3Å; L401-F496 HydrophobicContact CD2-CE2 3.65Å; L401-F496 HydrophobicContact CD2-CZ 4.43Å; Y402-F496 PolarHBondContact O-N 2.99Å; V403-F496 WeakPolarHBondContact CA-O 3.28Å; V403-F496 HydrophobicContact CG1-CB 4.48Å; V403-F496 HydrophobicContact CG2-CB 4.12Å; V403-F496 HydrophobicContact CG2-CD2 4.16Å; R404-F496 PolarHBondContact N-O 3.41Å; R404-F496 VanDerWaalsContact N-O 3.1Å; I462-F496 HydrophobicContact CG2-CB 3.76Å; I462-F496 HydrophobicContact CG2-CD1 4.28Å; I462-F496 HydrophobicContact CG2-CG 4.09Å; Y463-F496 CarbonylContact O-C 3.45Å; Y463-F496 VanDerWaalsContact O-CA 3.23Å; Y463-F496 WeakPolarHBondContact O-CA 3.46Å; Y463-F496 WeakPolarHBondContact O-CB 3.39Å; P464-F496 HydrophobicContact CG-CD1 4.36Å; P464-F496 HydrophobicContact CG-CE1 4.19Å; F478-F496 HydrophobicContact CE2-CE1 4.42Å; F478-F496 AromaticContact CZ-CE1 3.84Å; F478-F496 HydrophobicContact CZ-CE1 3.84Å; H487-F496 AromaticContact CD2-CE1 3.77Å; H487-F496 AromaticContact CD2-CZ 3.7Å; H487-F496 AromaticContact NE2-CE1 3.76Å; H487-F496 AromaticContact NE2-CZ 3.96Å; I488-F496 HydrophobicContact CG1-CZ 4.35Å; P494-F496 HydrophobicContact CB-CE2 3.92Å; P494-F496 HydrophobicContact CB-CZ 3.92Å; P494-F496 HydrophobicContact CG-CE2 3.89Å; P494-F496 HydrophobicContact CG-CZ 4.17Å
497	E	98.3	Very high	96.4	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.8	161.5	-63.3	-169.8	140	0	0	109.2	R404 I462 Y463 I465	R404-E497 HydrophobicContact CG-CG 3.99Å; R404-E497 IonicContact CZ-OE1 3.28Å; R404-E497 IonicContact NE-OE1 2.96Å; R404-E497 PolarHBondContact NE-OE1 3.49Å; R404-E497 IonicContact NH2-OE1 2.64Å; R404-E497 PolarHBondContact NH2-OE1 3.17Å; R404-E497 CarbonylContact O-C 3.5Å; R404-E497 VanDerWaalsContact O-CA 3.27Å; R404-E497 WeakPolarHBondContact O-CA 3.43Å; I462-E497 WeakPolarHBondContact CA-O 3.3Å; Y463-E497 HydrophobicContact CD2-CB 4.26Å; Y463-E497 HydrophobicContact CE1-CB 4.43Å; Y463-E497 HydrophobicContact CE2-CB 3.62Å; Y463-E497 HydrophobicContact CE2-CG 4.37Å; Y463-E497 WeakPolarHBondContact CE2-OE2 3.5Å; Y463-E497 PolarHBondContact N-O 3.21Å; Y463-E497 PolarHBondContact O-N 3.39Å; I465-E497 HydrophobicContact CB-CG 4.45Å; I465-E497 HydrophobicContact CG1-CG 4.21Å
498	V	98.3	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	174.3	60.4	0	0	0	0	110	V403 R404 E405 R406 V430 F434 V459 G461 I462 F500	V403-V498 HydrophobicContact CG1-CB 4.08Å; V403-V498 HydrophobicContact CG1-CG1 3.82Å; R404-V498 WeakPolarHBondContact O-CG1 3.42Å; R404-V498 PolarHBondContact O-N 3.47Å; E405-V498 CarbonylContact C-O 3.54Å; E405-V498 WeakPolarHBondContact CA-O 3.35Å; R406-V498 PolarHBondContact N-O 3.16Å; V430-V498 HydrophobicContact CG1-CB 4.29Å; V430-V498 HydrophobicContact CG1-CG1 4.13Å; V430-V498 HydrophobicContact CG1-CG2 4.09Å; F434-V498 HydrophobicContact CE2-CG1 4.48Å; F434-V498 HydrophobicContact CZ-CG1 4.44Å; V459-V498 HydrophobicContact CG1-CG2 4.07Å; V459-V498 HydrophobicContact CG2-CG2 3.94Å; G461-V498 WeakPolarHBondContact O-CA 3.48Å; I462-V498 HydrophobicContact CG1-CB 4.11Å; I462-V498 HydrophobicContact CG1-CG2 3.8Å; V498-F500 HydrophobicContact CB-CE1 4.41Å; V498-F500 HydrophobicContact CB-CZ 4.3Å; V498-F500 HydrophobicContact CG1-CD2 4.34Å; V498-F500 HydrophobicContact CG1-CE1 3.95Å; V498-F500 HydrophobicContact CG1-CE2 3.61Å; V498-F500 HydrophobicContact CG1-CZ 3.38Å; V498-F500 HydrophobicContact CG2-CD1 3.83Å; V498-F500 HydrophobicContact CG2-CE1 3.52Å; V498-F500 HydrophobicContact CG2-CG 4.45Å; V498-F500 HydrophobicContact CG2-CZ 3.89Å
499	V	97.8	Very high	96.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.4	168.7	177.9	0	0	0	0	107.4	A353 R406 H460 G461 Y463	A353-V499 HydrophobicContact CB-CG1 3.86Å; R406-V499 HydrophobicContact CB-CG2 3.94Å; H460-V499 HydrophobicContact CB-CB 4.25Å; H460-V499 HydrophobicContact CB-CG1 3.99Å; H460-V499 WeakPolarHBondContact CB-O 3.27Å; H460-V499 PolarHBondContact N-O 3.3Å; G461-V499 PolarHBondContact N-O 2.9Å; G461-V499 PolarHBondContact O-N 3.48Å; Y463-V499 HydrophobicContact CE1-CG2 3.76Å
500	F	96.3	Very high	96.3	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	152.2	175.6	-62.1	-58.5	0	0	0	111.4	E405 V430 L431 F434 Y439 W443 L457 R458 V459 V498	E405-F500 HydrophobicContact CB-CD2 4.19Å; E405-F500 HydrophobicContact CB-CE2 4.01Å; E405-F500 HydrophobicContact CG-CD2 3.73Å; E405-F500 HydrophobicContact CG-CE2 4.08Å; V430-F500 HydrophobicContact CG1-CE1 4.02Å; V430-F500 HydrophobicContact CG1-CZ 4.01Å; L431-F500 HydrophobicContact CD2-CE1 4.3Å; F434-F500 HydrophobicContact CB-CZ 4.21Å; F434-F500 AromaticContact CD1-CE2 3.81Å; F434-F500 HydrophobicContact CD1-CE2 3.81Å; F434-F500 AromaticContact CD1-CZ 3.92Å; F434-F500 HydrophobicContact CD1-CZ 3.92Å; F434-F500 AromaticContact CD2-CZ 3.94Å; F434-F500 HydrophobicContact CD2-CZ 3.94Å; F434-F500 HydrophobicContact CE1-CE2 4Å; F434-F500 HydrophobicContact CE1-CZ 4.28Å; F434-F500 HydrophobicContact CE2-CZ 4.28Å; F434-F500 HydrophobicContact CG-CE2 4.13Å; F434-F500 AromaticContact CG-CZ 3.75Å; F434-F500 HydrophobicContact CG-CZ 3.75Å; F434-F500 HydrophobicContact CZ-CE2 4.47Å; F434-F500 HydrophobicContact CZ-CZ 4.45Å; Y439-F500 HydrophobicContact CE1-CE2 4.29Å; W443-F500 HydrophobicContact CZ2-CB 4.47Å; W443-F500 PolarHBondContact NE1-O 2.95Å; L457-F500 HydrophobicContact CD1-CB 3.6Å; L457-F500 HydrophobicContact CD1-CD1 3.72Å; L457-F500 HydrophobicContact CD1-CD2 3.95Å; L457-F500 HydrophobicContact CD1-CE1 4.34Å; L457-F500 HydrophobicContact CD1-CG 3.5Å; L457-F500 HydrophobicContact CD2-CD1 3.83Å; L457-F500 HydrophobicContact CD2-CD2 4.25Å; L457-F500 HydrophobicContact CD2-CE1 3.58Å; L457-F500 HydrophobicContact CD2-CE2 4.03Å; L457-F500 HydrophobicContact CD2-CG 4.17Å; L457-F500 HydrophobicContact CD2-CZ 3.69Å; L457-F500 HydrophobicContact CG-CB 4.39Å; L457-F500 HydrophobicContact CG-CD1 3.57Å; L457-F500 HydrophobicContact CG-CD2 4.43Å; L457-F500 HydrophobicContact CG-CE1 3.82Å; L457-F500 HydrophobicContact CG-CG 3.91Å; L457-F500 HydrophobicContact CG-CZ 4.36Å; R458-F500 CarbonylContact O-C 3.55Å; R458-F500 VanDerWaalsContact O-CA 3.22Å; R458-F500 WeakPolarHBondContact O-CA 3.42Å; V459-F500 HydrophobicContact CG2-CD1 4.08Å; V459-F500 HydrophobicContact CG2-CE1 3.94Å; V498-F500 HydrophobicContact CB-CE1 4.41Å; V498-F500 HydrophobicContact CB-CZ 4.3Å; V498-F500 HydrophobicContact CG1-CD2 4.34Å; V498-F500 HydrophobicContact CG1-CE1 3.95Å; V498-F500 HydrophobicContact CG1-CE2 3.61Å; V498-F500 HydrophobicContact CG1-CZ 3.38Å; V498-F500 HydrophobicContact CG2-CD1 3.83Å; V498-F500 HydrophobicContact CG2-CE1 3.52Å; V498-F500 HydrophobicContact CG2-CG 4.45Å; V498-F500 HydrophobicContact CG2-CZ 3.89Å
501	V	92.9	Very high	96.4	Very high	10 Å²	10	21.2 Å²	21.2	6%	0.061	12%	0.123	C	C	.	.			trans	-137.3	0	-179.8	-76.9	0	0	0	0	117.4	D349 K352 A353 R447 R458 H460	D349-V501 HydrophobicContact CB-CB 4.26Å; D349-V501 HydrophobicContact CB-CG1 4.33Å; D349-V501 HydrophobicContact CB-CG2 4.11Å; K352-V501 HydrophobicContact CB-CG1 4.5Å; A353-V501 HydrophobicContact CB-CG1 4.03Å; R447-V501 PolarHBondContact NH1-OXT 3.06Å; R447-V501 PolarHBondContact NH2-OXT 3.49Å; R458-V501 HydrophobicContact CB-CG2 4.37Å; R458-V501 PolarHBondContact NE-O 3.03Å; R458-V501 PolarHBondContact NH2-O 3.45Å; R458-V501 VanDerWaalsContact NH2-O 3.13Å; R458-V501 PolarHBondContact O-N 3.44Å; H460-V501 HydrophobicContact CB-CB 4.35Å; H460-V501 HydrophobicContact CB-CG1 3.67Å; H460-V501 HydrophobicContact CB-CG2 3.84Å

Retrieved 501 of 501 residues in 215.8 ms (Link to these results)

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