F7H426_MACMU Loading...

ethanolamine kinase

AlphaFold DB , UniProt , Accession F7H426, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ETNK1, Length 452 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	33.3	Very low	30.5	Very low	242 Å²	242	163.8 Å²	163.8	100%	1.192	86%	0.863	S	S	*	*				0	106.2	0	-67.3	179	-178.5	0	0	105.6
2	L	32.6	Very low	30.1	Very low	182 Å²	182	162.2 Å²	162.2	95%	0.953	86%	0.855	S	S	*	*				-150.8	150.7	66.8	-88	142.6	0	0	0	110.8
3	R	31.4	Very low	30.1	Very low	256 Å²	256	164.8 Å²	164.8	97%	0.966	85%	0.846	S	S	*	*			trans	-81.7	157.1	-175	-68.3	173.2	167.5	-178.8	-4.8	112.4
4	G	26.3	Very low	29.9	Very low	80 Å²	80	163.4 Å²	163.4	83%	0.825	84%	0.841	S	S	*	*			trans	165.3	81.4	154.3	0	0	0	0	0	117.2
5	R	30.7	Very low	29.7	Very low	244 Å²	244	165.9 Å²	165.9	92%	0.921	84%	0.844	S	S	*	*			trans	-117.9	153.3	148.3	-96.6	-170.2	-175.8	-171.4	2.9	105.7
6	P	38.4	Very low	29.6	Very low	109 Å²	109	162.4 Å²	162.4	71%	0.708	84%	0.84	S	S	*	*				-158.9	168.4	62.4	39.5	-17.2	0	0	0	119.6
7	R	32.4	Very low	29.6	Very low	244 Å²	244	167.4 Å²	167.4	92%	0.921	85%	0.845	S	S	*	*			trans	60.8	151	145.2	-74.8	173.5	-176.9	-171.5	0.9	118.7
8	S	28	Very low	29.5	Very low	101 Å²	101	168.7 Å²	168.7	71%	0.706	85%	0.847	S	S	*	*			cis	-174.5	168	-1.1	52.5	0	0	0	0	108.5
9	S	26.7	Very low	29.5	Very low	113 Å²	113	172.6 Å²	172.6	79%	0.79	85%	0.851	S	S	*	*			trans	116	112.8	141.8	83.6	0	0	0	0	118.1
10	A	27.5	Very low	29.5	Very low	95 Å²	95	170.3 Å²	170.3	79%	0.785	85%	0.85	S	S	*	*			trans	12.1	131	144.4	0	0	0	0	0	119.3
11	D	28.4	Very low	29.2	Very low	136 Å²	136	165.4 Å²	165.4	73%	0.727	84%	0.842	S	S	*	*			trans	-139.3	132.8	134.1	-141.3	2.5	0	0	0	110.5	R13	D11-R13 IonicContact OD2-NE 3.47Å; D11-R13 IonicContact OD2-NH2 3.9Å; D11-R13 PolarHBondContact OD2-NH2 2.89Å
12	N	26.1	Very low	28.9	Very low	144 Å²	144	162 Å²	162	77%	0.77	83%	0.828	S	S	*	*			trans	-114.5	106.5	-167.2	-173.7	22.9	0	0	0	106.3
13	R	29.5	Very low	28.5	Very low	196 Å²	196	158.4 Å²	158.4	74%	0.74	82%	0.818	S	S	*	*			trans	-139.8	106.4	171.7	-76.6	-173.6	-144.1	-166.5	8.1	112.8	D11	D11-R13 IonicContact OD2-NE 3.47Å; D11-R13 IonicContact OD2-NH2 3.9Å; D11-R13 PolarHBondContact OD2-NH2 2.89Å
14	N	27.5	Very low	28.1	Very low	145 Å²	145	151.6 Å²	151.6	78%	0.775	81%	0.81	S	S	*	*			trans	-39.9	133	152.9	-73.5	-33.3	0	0	0	112.1
15	F	27.2	Very low	28	Very low	202 Å²	202	152.5 Å²	152.5	89%	0.886	81%	0.809	S	S	*	*			trans	-128.6	113.9	150	-99.6	-84.2	0	0	0	109.9
16	S	27.1	Very low	27.6	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	80%	0.804	S	S	*	*			trans	-70.4	149.6	176.9	-61.3	0	0	0	0	111.7
17	R	30.8	Very low	26.9	Very low	247 Å²	247	147 Å²	147	93%	0.932	81%	0.811	S	S	*	*			trans	-46.6	132.7	165.5	-73.7	170.1	162.1	171.7	-5.4	112.6
18	E	26.8	Very low	26.5	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	81%	0.807	S	S	*	*			trans	-131	123.7	150.1	-79.5	-169	157.6	0	0	110.1
19	R	29.7	Very low	26.3	Very low	243 Å²	243	146 Å²	146	92%	0.917	82%	0.816	S	S	*	*			trans	-81.6	152	162.1	-72.1	179.6	177.9	-178.5	-1.3	108.3
20	P	29.6	Very low	26.3	Very low	127 Å²	127	152.2 Å²	152.2	83%	0.825	82%	0.822	S	S	*	*			trans	-119.6	128.6	138.6	7.3	13.2	0	0	0	110.4
21	G	24	Very low	26.1	Very low	67 Å²	67	155 Å²	155	69%	0.691	82%	0.822	S	S	*	*			trans	-79.8	166.3	165	0	0	0	0	0	111.8
22	L	26.2	Very low	25.9	Very low	171 Å²	171	152.3 Å²	152.3	90%	0.895	83%	0.826	S	S	*	*			trans	-170.1	103.4	154.5	-95.1	150.4	0	0	0	104.8
23	S	24.2	Very low	25.9	Very low	107 Å²	107	152.6 Å²	152.6	75%	0.748	83%	0.827	S	S	*	*				79.5	116.6	87.3	-174.8	0	0	0	0	113.2
24	S	23.8	Very low	25.8	Very low	112 Å²	112	149.4 Å²	149.4	78%	0.783	84%	0.835	S	S	*	*			trans	-57.1	146.8	172.7	60.1	0	0	0	0	113.6
25	A	24.3	Very low	25.7	Very low	99 Å²	99	147.2 Å²	147.2	82%	0.818	84%	0.837	S	S	*	*			trans	-141	108	147.3	0	0	0	0	0	108.9
26	A	21.9	Very low	25.8	Very low	98 Å²	98	142.2 Å²	142.2	81%	0.81	83%	0.833	S	S	*	*			trans	-77.2	141.3	166.1	0	0	0	0	0	109.4
27	V	24.1	Very low	25.8	Very low	141 Å²	141	141.7 Å²	141.7	86%	0.855	83%	0.829	S	S	*	*			trans	-123.4	118.6	159.1	174.2	0	0	0	0	107.9
28	Q	23	Very low	25.6	Very low	177 Å²	177	141 Å²	141	83%	0.827	83%	0.827	S	S	*	*			trans	-66	144.8	172.1	-73.6	165.7	-42.1	0	0	111.4
29	T	24.4	Very low	25.7	Very low	146 Å²	146	143.5 Å²	143.5	90%	0.896	83%	0.828	S	S	*	*			trans	-141.4	108.7	137.5	16.9	0	0	0	0	111.7
30	R	25.3	Very low	25.9	Very low	244 Å²	244	137.6 Å²	137.6	92%	0.921	82%	0.824	S	S	*	*			trans	4.7	131.4	155.8	-73	177.3	-179.3	-179.7	-0.2	121.6
31	I	24.5	Very low	26.1	Very low	154 Å²	154	137.5 Å²	137.5	79%	0.79	82%	0.824	S	S	*	*			trans	-50	142.1	149.1	-63.4	165.5	0	0	0	112.2
32	G	24.7	Very low	26.5	Very low	78 Å²	78	139 Å²	139	80%	0.804	83%	0.829	S	S	*	*			trans	-142.8	105.3	158.8	0	0	0	0	0	109.7
33	D	24.8	Very low	26.8	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	83%	0.826	S	S	*	*			trans	-66.5	143.3	173.1	-78.4	-46.7	0	0	0	112.4
34	S	27.5	Very low	27.3	Very low	128 Å²	128	142 Å²	142	90%	0.895	83%	0.833	S	S	*	*			trans	-157	119.9	139.1	-112	0	0	0	0	112.2
35	A	26.7	Very low	27.9	Very low	100 Å²	100	142 Å²	142	83%	0.826	83%	0.831	S	S	*	*			trans	-81.9	141.8	172.6	0	0	0	0	0	111.1
36	A	28.3	Very low	28.5	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	83%	0.831	S	S	*	*			trans	-163.7	105.6	147.6	0	0	0	0	0	112.7
37	S	26.7	Very low	29.2	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	83%	0.834	S	S	*	*				61.4	109.6	124.9	177.6	0	0	0	0	121.9
38	R	27.3	Very low	29.7	Very low	233 Å²	233	150.1 Å²	150.1	88%	0.879	84%	0.836	S	S	*	*				59.8	119.3	127.1	-60.3	177.6	174.5	-168.1	-1.6	119.3
39	R	29.1	Very low	30.2	Very low	242 Å²	242	146.1 Å²	146.1	91%	0.913	83%	0.834	S	S	*	*				-178.2	124.1	104.6	-96.5	171.4	-175.5	-161.3	1.9	111
40	S	33.4	Very low	31	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	83%	0.827	S	S	*	*			trans	-67	151.8	164.9	-43.3	0	0	0	0	111.1
41	P	34.2	Very low	31.6	Very low	126 Å²	126	139 Å²	139	82%	0.818	82%	0.822	S	S	*	*			trans	-106.4	139.5	150.9	19.2	-1.4	0	0	0	110.9
42	A	32.2	Very low	32.1	Very low	97 Å²	97	136.6 Å²	136.6	80%	0.802	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.2	154.7	-172.3	0	0	0	0	0	113.6
43	A	32.2	Very low	32.6	Very low	100 Å²	100	140.6 Å²	140.6	83%	0.826	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-53.3	135.7	170.5	0	0	0	0	0	112.3
44	R	35.8	Very low	33.1	Very low	241 Å²	241	139.1 Å²	139.1	91%	0.909	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79	136.5	165.1	-76.4	-178.7	174.9	-178.8	-1.5	109.5
45	P	36.4	Very low	33.5	Very low	113 Å²	113	145.3 Å²	145.3	73%	0.734	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73	159.8	174.7	30.3	-32.1	0	0	0	111.6
46	P	36.8	Very low	33.8	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76.7	141.8	-164.1	30.4	-33.7	0	0	0	112.7
47	V	37	Very low	34	Very low	144 Å²	144	151.2 Å²	151.2	87%	0.873	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-74.1	130.4	171.5	177.2	0	0	0	0	109.1
48	R	32.6	Very low	34.6	Very low	238 Å²	238	153 Å²	153	90%	0.898	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-49.7	132.3	179.4	-95.8	173	162.5	173.9	-5.8	112.9
49	A	35.1	Very low	34.8	Very low	94 Å²	94	145 Å²	145	78%	0.777	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.5	139	165.5	0	0	0	0	0	111.5
50	P	40.2	Very low	35.1	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74	156.7	163.7	10.8	1.4	0	0	0	111.1
51	P	37.6	Very low	35.5	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-71.5	151.4	-167.5	30.3	-35.5	0	0	0	113.2
52	A	34.7	Very low	35.4	Very low	102 Å²	102	141.4 Å²	141.4	84%	0.843	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-60.1	130.1	177.8	0	0	0	0	0	112.4
53	L	36.1	Very low	35.8	Very low	163 Å²	163	142 Å²	142	85%	0.853	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.3	146.9	164.7	-80.9	157.9	0	0	0	110.2
54	P	35.4	Very low	36.2	Very low	120 Å²	120	144 Å²	144	78%	0.779	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.6	142.2	-174.2	10.6	-4.2	0	0	0	112.2	G56	P54-G56 PolarHBondContact O-N 2.96Å
55	R	36.5	Very low	36.9	Very low	258 Å²	258	137.7 Å²	137.7	97%	0.974	82%	0.822	S	S	*	*			trans	-60.1	103.8	170.4	-78.2	179.3	168.7	171.2	-3.8	110.6
56	G	31.9	Very low	37.7	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-91.3	135.2	160.7	0	0	0	0	0	110.8	P54	P54-G56 PolarHBondContact O-N 2.96Å
57	R	32.3	Very low	38.7	Very low	245 Å²	245	134.8 Å²	134.8	93%	0.925	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.5	161.7	176	-88.3	-177.1	-177.1	-177.3	1.3	112.2
58	P	39.4	Very low	39.7	Very low	135 Å²	135	131.9 Å²	131.9	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77	134.9	-166.2	31.3	-33.3	0	0	0	112.2
59	G	32.2	Very low	41	Very low	64 Å²	64	124.9 Å²	124.9	66%	0.66	78%	0.775	S	S	*	*			trans	-145.8	106.5	173.3	0	0	0	0	0	110.5
60	T	35.9	Very low	41.7	Very low	140 Å²	140	121.9 Å²	121.9	86%	0.859	75%	0.75	S	S	*	*			trans	35.9	120.7	145.3	51.9	0	0	0	0	120	G62	T60-G62 PolarHBondContact O-N 2.96Å
61	E	41.3	Very low	42.5	Very low	205 Å²	205	119.8 Å²	119.8	96%	0.958	74%	0.735	S	S	*	*			trans	-17.4	110.7	160.1	-64.5	175.5	155.2	0	0	115.1
62	G	32.1	Very low	43.3	Very low	67 Å²	67	119.3 Å²	119.3	69%	0.691	73%	0.725	S	S	*	*			trans	-109.7	111.5	164.4	0	0	0	0	0	108.9	T60 T64	T60-G62 PolarHBondContact O-N 2.96Å; G62-T64 PolarHBondContact O-N 2.6Å
63	S	40.6	Very low	44.5	Very low	111 Å²	111	119.4 Å²	119.4	78%	0.776	72%	0.715	S	S	*	*			trans	-52.1	121.5	168.7	57.7	0	0	0	0	109.6	S65	S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.3Å
64	T	40.6	Very low	45.5	Very low	142 Å²	142	115.2 Å²	115.2	87%	0.871	70%	0.696	S	S	*	*			trans	-69.4	84.9	170.8	37.4	0	0	0	0	109.4	G62 L66	G62-T64 PolarHBondContact O-N 2.6Å; T64-L66 PolarHBondContact O-N 3.31Å
65	S	50.9	Low	46.3	Very low	107 Å²	107	111.8 Å²	111.8	75%	0.748	68%	0.678	S	S	*	*			trans	-69.8	113.5	165.6	65.7	0	0	0	0	108	S63 S67	S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.3Å; S65-S67 PolarHBondContact O-N 2.7Å
66	L	51.6	Low	47.3	Very low	104 Å²	104	103.4 Å²	103.4	55%	0.545	66%	0.655	S	S	.	*			trans	-52.3	135.5	168.1	-78.6	153.9	0	0	0	108.9	T64 A70 V71	T64-L66 PolarHBondContact O-N 3.31Å; L66-A70 HydrophobicContact CB-CB 4.35Å; L66-A70 HydrophobicContact CD2-CB 3.8Å; L66-V71 HydrophobicContact CB-CG2 3.43Å; L66-V71 VanDerWaalsContact CB-CG2 3.43Å; L66-V71 WeakPolarHBondContact O-CG2 3.32Å
67	S	58.4	Low	48.2	Very low	75 Å²	75	102.3 Å²	102.3	52%	0.524	64%	0.639	S	S	.	*			trans	-60.4	147.2	173.4	61.9	0	0	0	0	109.7	S65 P69 A70 V71	S65-S67 PolarHBondContact O-N 2.7Å; S67-P69 VanDerWaalsContact C-N 3.25Å; S67-P69 VanDerWaalsContact O-N 3.08Å; S67-A70 WeakPolarHBondContact O-CA 3.08Å; S67-A70 WeakPolarHBondContact O-CB 3.33Å; S67-A70 PolarHBondContact O-N 3.08Å; S67-V71 PolarHBondContact O-N 3.06Å
68	A	58.1	Low	49.3	Very low	82 Å²	82	94.4 Å²	94.4	68%	0.678	62%	0.618	S	S	*	*	H	α-helix	trans	-48.9	-37.1	-177.7	0	0	0	0	0	114.9	L72	A68-L72 WeakPolarHBondContact O-CB 3.05Å; A68-L72 PolarHBondContact O-N 2.69Å
69	P	59.6	Low	49.8	Very low	91 Å²	91	92.2 Å²	92.2	59%	0.591	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-38.5	172.8	-19.1	32	0	0	0	113.3	S67 L72 V73	S67-P69 VanDerWaalsContact C-N 3.25Å; S67-P69 VanDerWaalsContact O-N 3.08Å; P69-L72 PolarHBondContact O-N 3.44Å; P69-V73 VanDerWaalsContact O-CG2 3.3Å; P69-V73 WeakPolarHBondContact O-CG2 3.25Å; P69-V73 PolarHBondContact O-N 2.91Å
70	A	51.1	Low	50.7	Low	31 Å²	31	93 Å²	93	26%	0.256	59%	0.593	S	S	.	*	H	α-helix	trans	-70.4	-37.9	177.6	0	0	0	0	0	111.8	L66 S67 L72 V73 V74	L66-A70 HydrophobicContact CB-CB 4.35Å; L66-A70 HydrophobicContact CD2-CB 3.8Å; S67-A70 WeakPolarHBondContact O-CA 3.08Å; S67-A70 WeakPolarHBondContact O-CB 3.33Å; S67-A70 PolarHBondContact O-N 3.08Å; A70-L72 VanDerWaalsContact C-N 3.33Å; A70-V73 PolarHBondContact O-N 2.66Å; A70-V74 WeakPolarHBondContact O-CB 3.46Å; A70-V74 VanDerWaalsContact O-CG2 3.23Å; A70-V74 WeakPolarHBondContact O-CG2 3.5Å; A70-V74 PolarHBondContact O-N 3.49Å
71	V	55.3	Low	51.7	Low	73 Å²	73	91 Å²	91	44%	0.442	58%	0.581	S	S	.	*	H	α-helix	trans	-60.9	-43.1	171.5	178.3	0	0	0	0	110.7	L66 S67 V74 A75	L66-V71 HydrophobicContact CB-CG2 3.43Å; L66-V71 VanDerWaalsContact CB-CG2 3.43Å; L66-V71 WeakPolarHBondContact O-CG2 3.32Å; S67-V71 PolarHBondContact O-N 3.06Å; V71-V74 PolarHBondContact O-N 2.9Å; V71-A75 WeakPolarHBondContact O-CB 3.46Å; V71-A75 PolarHBondContact O-N 2.91Å
72	L	55.5	Low	52.1	Low	115 Å²	115	85.1 Å²	85.1	60%	0.602	56%	0.559	S	S	*	*	H	α-helix	trans	-65.9	-43.3	178.7	-172.9	67.7	0	0	0	111.9	A68 P69 A70 A75 V76	A68-L72 WeakPolarHBondContact O-CB 3.05Å; A68-L72 PolarHBondContact O-N 2.69Å; P69-L72 PolarHBondContact O-N 3.44Å; A70-L72 VanDerWaalsContact C-N 3.33Å; L72-A75 PolarHBondContact O-N 3.25Å; L72-V76 HydrophobicContact CD1-CG2 4.47Å; L72-V76 HydrophobicContact CG-CG2 4.47Å; L72-V76 WeakPolarHBondContact O-CB 3.23Å; L72-V76 VanDerWaalsContact O-CG2 3.23Å; L72-V76 WeakPolarHBondContact O-CG2 3.31Å; L72-V76 PolarHBondContact O-N 3.06Å
73	V	59.2	Low	53.2	Low	103 Å²	103	86.2 Å²	86.2	62%	0.624	55%	0.552	S	S	*	*	H	α-helix	trans	-62.7	-44.5	176.4	170.5	0	0	0	0	111.2	P69 A70 V76 A77	P69-V73 VanDerWaalsContact O-CG2 3.3Å; P69-V73 WeakPolarHBondContact O-CG2 3.25Å; P69-V73 PolarHBondContact O-N 2.91Å; A70-V73 PolarHBondContact O-N 2.66Å; V73-V76 PolarHBondContact O-N 3.11Å; V73-A77 VanDerWaalsContact O-CB 3.29Å; V73-A77 WeakPolarHBondContact O-CB 3.29Å; V73-A77 PolarHBondContact O-N 3.42Å
74	V	58.5	Low	54.3	Low	76 Å²	76	84.2 Å²	84.2	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.5	172.4	0	0	0	0	110.7	A70 V71 A77 V78	A70-V74 WeakPolarHBondContact O-CB 3.46Å; A70-V74 VanDerWaalsContact O-CG2 3.23Å; A70-V74 WeakPolarHBondContact O-CG2 3.5Å; A70-V74 PolarHBondContact O-N 3.49Å; V71-V74 PolarHBondContact O-N 2.9Å; V74-A77 PolarHBondContact O-N 3.06Å; V74-V78 HydrophobicContact CG1-CG2 4.34Å; V74-V78 WeakPolarHBondContact O-CB 3.29Å; V74-V78 VanDerWaalsContact O-CG2 3.23Å; V74-V78 WeakPolarHBondContact O-CG2 3.2Å; V74-V78 PolarHBondContact O-N 2.83Å
75	A	51.7	Low	55.3	Low	47 Å²	47	80 Å²	80	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-44.2	177.7	0	0	0	0	0	112.1	V71 L72 V78 V79	V71-A75 WeakPolarHBondContact O-CB 3.46Å; V71-A75 PolarHBondContact O-N 2.91Å; L72-A75 PolarHBondContact O-N 3.25Å; A75-V78 PolarHBondContact O-N 2.63Å; A75-V79 WeakPolarHBondContact O-CB 3.48Å; A75-V79 VanDerWaalsContact O-CG2 3.25Å; A75-V79 WeakPolarHBondContact O-CG2 3.48Å; A75-V79 PolarHBondContact O-N 3.3Å
76	V	58.1	Low	55.8	Low	83 Å²	83	79 Å²	79	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175.3	171	0	0	0	0	110.6	L72 V73 V78 V79 V80	L72-V76 HydrophobicContact CD1-CG2 4.47Å; L72-V76 HydrophobicContact CG-CG2 4.47Å; L72-V76 WeakPolarHBondContact O-CB 3.23Å; L72-V76 VanDerWaalsContact O-CG2 3.23Å; L72-V76 WeakPolarHBondContact O-CG2 3.31Å; L72-V76 PolarHBondContact O-N 3.06Å; V73-V76 PolarHBondContact O-N 3.11Å; V76-V78 PolarHBondContact O-N 3.23Å; V76-V79 PolarHBondContact O-N 3.3Å; V76-V80 HydrophobicContact CG1-CG2 4.25Å; V76-V80 WeakPolarHBondContact O-CB 3.44Å; V76-V80 WeakPolarHBondContact O-CG2 3.49Å; V76-V80 PolarHBondContact O-N 2.9Å
77	A	49.9	Very low	56.1	Low	52 Å²	52	75.2 Å²	75.2	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.5	0	0	0	0	0	111.9	V73 V74 V80 V81	V73-A77 VanDerWaalsContact O-CB 3.29Å; V73-A77 WeakPolarHBondContact O-CB 3.29Å; V73-A77 PolarHBondContact O-N 3.42Å; V74-A77 PolarHBondContact O-N 3.06Å; A77-V80 PolarHBondContact O-N 3.44Å; A77-V81 WeakPolarHBondContact O-CB 3.45Å; A77-V81 VanDerWaalsContact O-CG2 3.22Å; A77-V81 WeakPolarHBondContact O-CG2 3.32Å; A77-V81 PolarHBondContact O-N 2.9Å
78	V	56.5	Low	56.3	Low	80 Å²	80	76.1 Å²	76.1	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-45.8	175.9	169.8	0	0	0	0	110.9	V74 A75 V76 V80 V81 V82	V74-V78 HydrophobicContact CG1-CG2 4.34Å; V74-V78 WeakPolarHBondContact O-CB 3.29Å; V74-V78 VanDerWaalsContact O-CG2 3.23Å; V74-V78 WeakPolarHBondContact O-CG2 3.2Å; V74-V78 PolarHBondContact O-N 2.83Å; A75-V78 PolarHBondContact O-N 2.63Å; V76-V78 PolarHBondContact O-N 3.23Å; V78-V80 PolarHBondContact O-N 2.96Å; V78-V81 PolarHBondContact O-N 3.37Å; V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CB 3.41Å; V78-V82 VanDerWaalsContact O-CG2 3.24Å; V78-V82 WeakPolarHBondContact O-CG2 3.38Å; V78-V82 PolarHBondContact O-N 3.25Å
79	V	49.3	Very low	56.5	Low	88 Å²	88	74.7 Å²	74.7	53%	0.533	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.2	170.4	0	0	0	0	111	A75 V76 V81 V82 V83	A75-V79 WeakPolarHBondContact O-CB 3.48Å; A75-V79 VanDerWaalsContact O-CG2 3.25Å; A75-V79 WeakPolarHBondContact O-CG2 3.48Å; A75-V79 PolarHBondContact O-N 3.3Å; V76-V79 PolarHBondContact O-N 3.3Å; V79-V81 PolarHBondContact O-N 3.18Å; V79-V82 PolarHBondContact O-N 3.46Å; V79-V83 HydrophobicContact CG1-CG2 4.12Å; V79-V83 WeakPolarHBondContact O-CB 3.48Å; V79-V83 WeakPolarHBondContact O-CG2 3.5Å; V79-V83 PolarHBondContact O-N 2.88Å
80	V	51.6	Low	56.6	Low	80 Å²	80	73.5 Å²	73.5	49%	0.485	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-43.1	176.9	169.5	0	0	0	0	111	V76 A77 V78 S84	V76-V80 HydrophobicContact CG1-CG2 4.25Å; V76-V80 WeakPolarHBondContact O-CB 3.44Å; V76-V80 WeakPolarHBondContact O-CG2 3.49Å; V76-V80 PolarHBondContact O-N 2.9Å; A77-V80 PolarHBondContact O-N 3.44Å; V78-V80 PolarHBondContact O-N 2.96Å; V80-S84 WeakPolarHBondContact O-CB 3.39Å; V80-S84 PolarHBondContact O-N 3.18Å; V80-S84 PolarHBondContact O-OG 3.35Å
81	V	55.1	Low	57	Low	100 Å²	100	72 Å²	72	61%	0.606	45%	0.445	S	S	*	.	H	α-helix	trans	-63.8	-45.9	176.5	169	0	0	0	0	110.9	A77 V78 V79 S84 A85	A77-V81 WeakPolarHBondContact O-CB 3.45Å; A77-V81 VanDerWaalsContact O-CG2 3.22Å; A77-V81 WeakPolarHBondContact O-CG2 3.32Å; A77-V81 PolarHBondContact O-N 2.9Å; V78-V81 PolarHBondContact O-N 3.37Å; V79-V81 PolarHBondContact O-N 3.18Å; V81-S84 PolarHBondContact O-N 3.38Å; V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.02Å; V81-A85 PolarHBondContact O-N 3.25Å
82	V	51.5	Low	57.5	Low	81 Å²	81	69.2 Å²	69.2	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-47	179.4	171.4	0	0	0	0	111	V78 V79 S84 A85 V86	V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CB 3.41Å; V78-V82 VanDerWaalsContact O-CG2 3.24Å; V78-V82 WeakPolarHBondContact O-CG2 3.38Å; V78-V82 PolarHBondContact O-N 3.25Å; V79-V82 PolarHBondContact O-N 3.46Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.08Å; V82-A85 PolarHBondContact O-N 2.81Å; V82-V86 HydrophobicContact CG1-CG2 4.37Å; V82-V86 WeakPolarHBondContact O-CB 3.46Å; V82-V86 VanDerWaalsContact O-CG2 3.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.17Å; V82-V86 PolarHBondContact O-N 3.17Å
83	V	54.6	Low	58.3	Low	90 Å²	90	68.5 Å²	68.5	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-40.3	177.3	172.3	0	0	0	0	110.8	V79 V86 A87	V79-V83 HydrophobicContact CG1-CG2 4.12Å; V79-V83 WeakPolarHBondContact O-CB 3.48Å; V79-V83 WeakPolarHBondContact O-CG2 3.5Å; V79-V83 PolarHBondContact O-N 2.88Å; V83-V86 PolarHBondContact O-N 3.24Å; V83-A87 VanDerWaalsContact O-CB 3.27Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 3.35Å
84	S	64	Low	59.1	Low	69 Å²	69	63.9 Å²	63.9	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-39.5	176.1	-60.3	0	0	0	0	112.1	V80 V81 V82 W88	V80-S84 WeakPolarHBondContact O-CB 3.39Å; V80-S84 PolarHBondContact O-N 3.18Å; V80-S84 PolarHBondContact O-OG 3.35Å; V81-S84 PolarHBondContact O-N 3.38Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.08Å; S84-W88 WeakPolarHBondContact O-CB 3.37Å; S84-W88 PolarHBondContact O-N 2.85Å
85	A	60.2	Low	59.9	Low	54 Å²	54	62.7 Å²	62.7	45%	0.446	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-41.7	176.2	0	0	0	0	0	111.7	V81 V82 W88 A89	V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.02Å; V81-A85 PolarHBondContact O-N 3.25Å; V82-A85 PolarHBondContact O-N 2.81Å; A85-W88 PolarHBondContact O-N 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.45Å; A85-A89 PolarHBondContact O-N 2.98Å
86	V	62.3	Low	61.2	Low	84 Å²	84	62.2 Å²	62.2	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-47.7	175.2	171.5	0	0	0	0	110.7	V82 V83 W88 A89 M90	V82-V86 HydrophobicContact CG1-CG2 4.37Å; V82-V86 WeakPolarHBondContact O-CB 3.46Å; V82-V86 VanDerWaalsContact O-CG2 3.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.17Å; V82-V86 PolarHBondContact O-N 3.17Å; V83-V86 PolarHBondContact O-N 3.24Å; V86-W88 VanDerWaalsContact C-N 3.27Å; V86-W88 PolarHBondContact O-N 2.98Å; V86-A89 PolarHBondContact O-N 2.67Å; V86-M90 HydrophobicContact CG1-CG 4.39Å; V86-M90 VanDerWaalsContact O-CG 3.27Å; V86-M90 WeakPolarHBondContact O-CG 3.23Å; V86-M90 PolarHBondContact O-N 2.71Å
87	A	58.5	Low	62.1	Low	25 Å²	25	59.2 Å²	59.2	21%	0.207	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-37.5	177	0	0	0	0	0	112	V83 A91 W246	V83-A87 VanDerWaalsContact O-CB 3.27Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 3.35Å; A87-A91 VanDerWaalsContact O-CB 3.32Å; A87-A91 WeakPolarHBondContact O-CB 3.4Å; A87-A91 PolarHBondContact O-N 3.02Å; A87-W246 HydrophobicContact CB-CH2 4.25Å; A87-W246 HydrophobicContact CB-CZ3 3.97Å
88	W	62.4	Low	63.3	Low	95 Å²	95	63 Å²	63	36%	0.36	37%	0.374	S	S	.	.	H	α-helix	trans	-68.3	-43.1	174.6	-176.3	90.3	0	0	0	112.2	S84 A85 V86 M90 A91 N92 K249 L254	S84-W88 WeakPolarHBondContact O-CB 3.37Å; S84-W88 PolarHBondContact O-N 2.85Å; A85-W88 PolarHBondContact O-N 3.23Å; V86-W88 VanDerWaalsContact C-N 3.27Å; V86-W88 PolarHBondContact O-N 2.98Å; W88-M90 VanDerWaalsContact C-N 3.33Å; W88-M90 PolarHBondContact O-N 3Å; W88-A91 PolarHBondContact O-N 3.25Å; W88-N92 VanDerWaalsContact CE2-ND2 3.32Å; W88-N92 WeakPolarHBondContact CH2-ND2 3.28Å; W88-N92 WeakPolarHBondContact CZ2-ND2 3.41Å; W88-N92 PolarHBondContact O-N 2.78Å; W88-N92 VanDerWaalsContact O-N 3.11Å; W88-K249 HydrophobicContact CG-CD 4.45Å; W88-L254 HydrophobicContact CH2-CD1 3.08Å; W88-L254 HydrophobicContact CH2-CG 4.46Å; W88-L254 HydrophobicContact CZ2-CD1 2.98Å; W88-L254 HydrophobicContact CZ2-CG 4.1Å; W88-L254 HydrophobicContact CZ3-CD1 4.12Å
89	A	61	Low	64.1	Low	51 Å²	51	63.3 Å²	63.3	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-43.5	175.1	0	0	0	0	0	111.2	A85 V86 N92 Y93	A85-A89 WeakPolarHBondContact O-CB 3.45Å; A85-A89 PolarHBondContact O-N 2.98Å; V86-A89 PolarHBondContact O-N 2.67Å; A89-N92 PolarHBondContact O-N 2.94Å; A89-Y93 WeakPolarHBondContact O-CB 3.41Å; A89-Y93 PolarHBondContact O-N 3.25Å
90	M	62	Low	65.5	Low	66 Å²	66	59.9 Å²	59.9	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-37.4	176.3	-67.1	-57.8	-64.3	0	0	112.7	V86 W88 N92 Y93 N244 W246	V86-M90 HydrophobicContact CG1-CG 4.39Å; V86-M90 VanDerWaalsContact O-CG 3.27Å; V86-M90 WeakPolarHBondContact O-CG 3.23Å; V86-M90 PolarHBondContact O-N 2.71Å; W88-M90 VanDerWaalsContact C-N 3.33Å; W88-M90 PolarHBondContact O-N 3Å; M90-N92 VanDerWaalsContact C-N 3.28Å; M90-N92 PolarHBondContact O-N 3.24Å; M90-Y93 PolarHBondContact O-N 2.86Å; M90-N244 PolarHBondContact O-ND2 2.96Å; M90-N244 VanDerWaalsContact O-ND2 3.09Å; M90-W246 HydrophobicContact CB-CD2 4.21Å; M90-W246 HydrophobicContact CB-CG 4.26Å; M90-W246 HydrophobicContact CB-CZ2 4.48Å
91	A	60.5	Low	66.8	Low	1 Å²	1	59.4 Å²	59.4	1%	0.008	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-25.3	176.8	0	0	0	0	0	113.5	A87 W88 W246 I247 P248 K249	A87-A91 VanDerWaalsContact O-CB 3.32Å; A87-A91 WeakPolarHBondContact O-CB 3.4Å; A87-A91 PolarHBondContact O-N 3.02Å; W88-A91 PolarHBondContact O-N 3.25Å; A91-W246 HydrophobicContact CB-CB 4.49Å; A91-I247 WeakPolarHBondContact CB-O 3.49Å; A91-P248 WeakPolarHBondContact O-CA 3.4Å; A91-K249 HydrophobicContact CB-CB 4.14Å; A91-K249 HydrophobicContact CB-CD 3.89Å; A91-K249 HydrophobicContact CB-CG 3.89Å; A91-K249 PolarHBondContact O-N 3.08Å
92	N	64.6	Low	68.1	Low	13 Å²	13	63 Å²	63	7%	0.07	38%	0.382	C	S	.	.	H	α-helix	trans	-94.3	-14.9	174.9	-73.1	6.9	0	0	0	113.4	W88 A89 M90 I94 K249	W88-N92 VanDerWaalsContact CE2-ND2 3.32Å; W88-N92 WeakPolarHBondContact CH2-ND2 3.28Å; W88-N92 WeakPolarHBondContact CZ2-ND2 3.41Å; W88-N92 PolarHBondContact O-N 2.78Å; W88-N92 VanDerWaalsContact O-N 3.11Å; A89-N92 PolarHBondContact O-N 2.94Å; M90-N92 VanDerWaalsContact C-N 3.28Å; M90-N92 PolarHBondContact O-N 3.24Å; N92-I94 PolarHBondContact O-N 3.48Å; N92-K249 WeakPolarHBondContact OD1-CB 3.07Å; N92-K249 PolarHBondContact OD1-O 2.94Å
93	Y	72.4	Confident	69.9	Low	101 Å²	101	60.4 Å²	60.4	40%	0.396	37%	0.365	S	S	.	.			trans	-71.1	130.5	-173.1	-170.2	-84.3	0	0	0	110.9	A89 M90 H95 N244	A89-Y93 WeakPolarHBondContact O-CB 3.41Å; A89-Y93 PolarHBondContact O-N 3.25Å; M90-Y93 PolarHBondContact O-N 2.86Å; Y93-H95 AromaticContact CD1-CD2 3.38Å; Y93-H95 WeakPolarHBondContact CD1-CD2 3.48Å; Y93-H95 AromaticContact CD1-CE1 3.76Å; Y93-H95 AromaticContact CD1-CG 3.88Å; Y93-H95 AromaticContact CD1-NE2 3.34Å; Y93-H95 VanDerWaalsContact CD1-NE2 3.34Å; Y93-H95 WeakPolarHBondContact CD1-NE2 3.46Å; Y93-H95 PolarHBondContact O-CD2 3.17Å; Y93-H95 VanDerWaalsContact O-CD2 3.3Å; Y93-H95 PolarHBondContact O-N 2.93Å; Y93-N244 PolarHBondContact O-ND2 3.23Å
94	I	76	Confident	71.8	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	36%	0.36	C	S	.	.			trans	-86.5	112	177.1	-60.5	177.9	0	0	0	108.8	N92 K184 S185 V188 L306 Y335	N92-I94 PolarHBondContact O-N 3.48Å; I94-K184 HydrophobicContact CB-CB 4.1Å; I94-K184 HydrophobicContact CG2-CB 4.03Å; I94-S185 WeakPolarHBondContact CD1-OG 3.39Å; I94-V188 HydrophobicContact CG2-CB 4.39Å; I94-V188 HydrophobicContact CG2-CG2 3.51Å; I94-L306 HydrophobicContact CD1-CD1 4.26Å; I94-Y335 HydrophobicContact CG1-CD2 4.14Å; I94-Y335 HydrophobicContact CG1-CE2 3.94Å
95	H	76.1	Confident	73.2	Confident	50 Å²	50	63.4 Å²	63.4	23%	0.231	37%	0.369	C	S	.	.			trans	-89.5	114.8	178.5	-73.4	-100.9	0	0	0	110.3	Y93 V188 H243 N244	Y93-H95 AromaticContact CD1-CD2 3.38Å; Y93-H95 WeakPolarHBondContact CD1-CD2 3.48Å; Y93-H95 AromaticContact CD1-CE1 3.76Å; Y93-H95 AromaticContact CD1-CG 3.88Å; Y93-H95 AromaticContact CD1-NE2 3.34Å; Y93-H95 VanDerWaalsContact CD1-NE2 3.34Å; Y93-H95 WeakPolarHBondContact CD1-NE2 3.46Å; Y93-H95 PolarHBondContact O-CD2 3.17Å; Y93-H95 VanDerWaalsContact O-CD2 3.3Å; Y93-H95 PolarHBondContact O-N 2.93Å; H95-V188 WeakPolarHBondContact O-CG2 3.34Å; H95-H243 HydrophobicContact CB-CB 4.47Å; H95-N244 HydrophobicContact CB-CB 4.34Å; H95-N244 WeakPolarHBondContact CD2-CB 3.2Å; H95-N244 WeakPolarHBondContact NE2-CB 3.47Å
96	V	78.3	Confident	74.9	Confident	38 Å²	38	61.9 Å²	61.9	23%	0.23	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.7	125.2	171.7	-178.8	0	0	0	0	108.8	S100 K184 R187 V188	V96-S100 WeakPolarHBondContact CG1-OG 3.47Å; V96-K184 HydrophobicContact CG2-CB 4.24Å; V96-K184 HydrophobicContact CG2-CG 4.29Å; V96-R187 HydrophobicContact CG1-CB 3.98Å; V96-R187 HydrophobicContact CG2-CB 4.04Å; V96-V188 HydrophobicContact CG2-CG2 4.32Å
97	P	77.8	Confident	76.4	Confident	20 Å²	20	64.7 Å²	64.7	13%	0.13	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.4	139.2	-178.8	-25.1	30	0	0	0	112.4	G99 S100 A191	P97-G99 PolarHBondContact O-N 3.37Å; P97-S100 WeakPolarHBondContact CD-OG 3.29Å; P97-S100 VanDerWaalsContact O-CB 3.32Å; P97-S100 WeakPolarHBondContact O-CB 3.32Å; P97-S100 PolarHBondContact O-N 2.81Å; P97-S100 PolarHBondContact O-OG 3.37Å; P97-A191 HydrophobicContact CG-CB 4.22Å
98	P	74.1	Confident	78.1	Confident	132 Å²	132	64.4 Å²	64.4	86%	0.857	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134	170	-23.8	33.9	0	0	0	110.9	S100	P98-S100 VanDerWaalsContact C-N 3.34Å
99	G	74.3	Confident	79.6	Confident	86 Å²	86	63.7 Å²	63.7	89%	0.887	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-1.3	-176.4	0	0	0	0	0	115.3	P97	P97-G99 PolarHBondContact O-N 3.37Å
100	S	77.9	Confident	80.9	Confident	16 Å²	16	61.3 Å²	61.3	11%	0.112	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.2	168.7	-56.2	0	0	0	0	110.3	V96 P97 P98 E102	V96-S100 WeakPolarHBondContact CG1-OG 3.47Å; P97-S100 WeakPolarHBondContact CD-OG 3.29Å; P97-S100 VanDerWaalsContact O-CB 3.32Å; P97-S100 WeakPolarHBondContact O-CB 3.32Å; P97-S100 PolarHBondContact O-N 2.81Å; P97-S100 PolarHBondContact O-OG 3.37Å; P98-S100 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 2.9Å
101	P	78.3	Confident	82.1	Confident	69 Å²	69	62.4 Å²	62.4	45%	0.448	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-50.1	135.9	178.3	-28.4	35.5	0	0	0	112.2	R187	P101-R187 PolarHBondContact O-NE 2.82Å; P101-R187 PolarHBondContact O-NH2 2.97Å
102	E	83.1	Confident	82.8	Confident	177 Å²	177	65.3 Å²	65.3	83%	0.827	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-68.4	138	170.7	-72.5	-166.3	167.3	0	0	109.7	S100	S100-E102 PolarHBondContact O-N 2.9Å
103	V	89.6	Confident	83.2	Confident	25 Å²	25	72.8 Å²	72.8	15%	0.152	40%	0.402	C	S	.	.			trans	-109.6	106.3	177.2	178.7	0	0	0	0	107.1	R187 L198 T201	V103-R187 HydrophobicContact CG2-CG 3.75Å; V103-L198 HydrophobicContact CB-CD2 4.46Å; V103-L198 HydrophobicContact CG1-CD2 3.87Å; V103-L198 HydrophobicContact CG1-CG 3.8Å; V103-L198 HydrophobicContact CG2-CB 4.29Å; V103-L198 HydrophobicContact CG2-CD2 3.91Å; V103-L198 HydrophobicContact CG2-CG 4.06Å; V103-T201 HydrophobicContact CG1-CG2 4.08Å
104	P	93.6	Very high	83.5	Confident	66 Å²	66	72.2 Å²	72.2	43%	0.429	40%	0.403	S	S	.	.			trans	-64.6	146	179.9	25.5	-33.3	0	0	0	110.9	Y199 C200 T201	P104-Y199 WeakPolarHBondContact CD-O 3.45Å; P104-C200 HydrophobicContact CG-CB 3.91Å; P104-C200 WeakPolarHBondContact O-CA 3.32Å; P104-C200 WeakPolarHBondContact O-CB 3.23Å; P104-T201 PolarHBondContact O-N 3.21Å; P104-T201 PolarHBondContact O-OG1 3.11Å
105	K	94.8	Very high	83.7	Confident	156 Å²	156	80.5 Å²	80.5	68%	0.678	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.1	169.3	-175.1	172	-177.6	172.5	0	109.1	T201	K105-T201 CarbonylContact C-O 3.53Å; K105-T201 WeakPolarHBondContact CA-O 3.25Å; K105-T201 WeakPolarHBondContact CA-OG1 3.46Å
106	L	95.3	Very high	84.1	Confident	23 Å²	23	83.6 Å²	83.6	12%	0.12	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.5	178.1	-57.2	-176.4	0	0	0	109.8	V108 L125 H128 C200 T201 F202	L106-V108 HydrophobicContact CB-CG2 4.34Å; L106-V108 PolarHBondContact O-N 3.47Å; L106-L125 HydrophobicContact CB-CD2 4.31Å; L106-L125 HydrophobicContact CD1-CD2 3.82Å; L106-H128 HydrophobicContact CD1-CB 3.91Å; L106-H128 HydrophobicContact CD2-CB 4.48Å; L106-C200 HydrophobicContact CD1-CB 4.16Å; L106-C200 HydrophobicContact CG-CB 4.13Å; L106-T201 PolarHBondContact N-O 3.19Å; L106-F202 HydrophobicContact CB-CB 4.46Å; L106-F202 WeakPolarHBondContact O-CA 3.28Å
107	N	94.9	Very high	84.5	Confident	143 Å²	143	86.8 Å²	86.8	77%	0.765	46%	0.464	S	S	*	.			trans	-81.8	66.7	175.6	-172.6	23.4	0	0	0	110.6	N203	N107-N203 PolarHBondContact OD1-ND2 2.87Å; N107-N203 PolarHBondContact OD1-OD1 3.13Å
108	V	93.6	Very high	84.8	Confident	18 Å²	18	86.1 Å²	86.1	11%	0.109	46%	0.46	C	S	.	.			trans	-128.6	138.4	178.6	178.8	0	0	0	0	108.5	L106 V110 L125 F202 N203	L106-V108 HydrophobicContact CB-CG2 4.34Å; L106-V108 PolarHBondContact O-N 3.47Å; V108-V110 HydrophobicContact CG1-CG2 4.49Å; V108-L125 HydrophobicContact CB-CD2 3.81Å; V108-L125 HydrophobicContact CB-CG 4.4Å; V108-L125 HydrophobicContact CG1-CD2 4.01Å; V108-L125 HydrophobicContact CG1-CG 4.04Å; V108-L125 HydrophobicContact CG2-CD2 4.14Å; V108-F202 WeakPolarHBondContact O-CB 3.45Å; V108-N203 VanDerWaalsContact O-CB 3.29Å; V108-N203 WeakPolarHBondContact O-CB 3.34Å; V108-N203 PolarHBondContact O-N 3.48Å
109	T	92.9	Very high	85.5	Confident	81 Å²	81	84.4 Å²	84.4	50%	0.497	44%	0.436	S	S	.	.			trans	-118.3	120.8	173.1	-56.5	0	0	0	0	108.5	N203 N204	T109-N203 WeakPolarHBondContact OG1-CB 3.21Å; T109-N203 PolarHBondContact OG1-ND2 2.93Å; T109-N203 VanDerWaalsContact OG1-ND2 3.07Å; T109-N204 WeakPolarHBondContact CA-OD1 3.43Å
110	V	89.9	Confident	86.3	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	42%	0.417	C	S	.	.			trans	-92.7	118.6	178.7	-173.8	0	0	0	0	108.9	V108 L125 I168 F202 N204	V108-V110 HydrophobicContact CG1-CG2 4.49Å; V110-L125 HydrophobicContact CG2-CD1 3.61Å; V110-I168 HydrophobicContact CB-CD1 4.01Å; V110-I168 HydrophobicContact CB-CG1 4.23Å; V110-I168 HydrophobicContact CG1-CD1 3.52Å; V110-I168 HydrophobicContact CG1-CG1 4.22Å; V110-F202 HydrophobicContact CB-CE2 4.28Å; V110-F202 HydrophobicContact CG2-CD2 4.23Å; V110-F202 HydrophobicContact CG2-CE2 3.77Å; V110-F202 HydrophobicContact CG2-CZ 4.19Å; V110-N204 PolarHBondContact N-OD1 2.81Å; V110-N204 PolarHBondContact O-ND2 3.17Å
111	Q	85.7	Confident	87	Confident	89 Å²	89	85 Å²	85	42%	0.416	42%	0.416	S	S	.	.			trans	-84.9	122.9	177.7	-63	-174.9	6.5	0	0	109.6	R117 C118	Q111-R117 HydrophobicContact CB-CB 4.01Å; Q111-C118 WeakPolarHBondContact O-CA 3.46Å; Q111-C118 VanDerWaalsContact O-CB 3.31Å; Q111-C118 WeakPolarHBondContact O-CB 3.1Å; Q111-C118 PolarHBondContact O-N 3.37Å; Q111-C118 VanDerWaalsContact O-N 3.11Å
112	D	75	Confident	87.7	Confident	62 Å²	62	81.7 Å²	81.7	33%	0.332	40%	0.395	S	S	.	.			trans	-98.2	-6.4	-171.1	66.2	-23	0	0	0	114.4	K150 I168	D112-K150 HydrophobicContact CB-CD 3.94Å; D112-K150 PolarHBondContact O-NZ 3.14Å; D112-I168 HydrophobicContact CB-CD1 4.14Å; D112-I168 HydrophobicContact CB-CG2 4.47Å
113	Q	73.4	Confident	88.2	Confident	171 Å²	171	74.6 Å²	74.6	80%	0.799	36%	0.363	S	S	*	.	S	Bend	trans	-75.3	-32.4	-176.8	-63.2	173.3	-1.2	0	0	113.5
114	E	79.5	Confident	88.4	Confident	89 Å²	89	75.2 Å²	75.2	42%	0.416	37%	0.368	S	S	.	.	S	Bend	trans	-122.6	128.3	-179	-69.7	175.8	-159.8	0	0	109.2	Q116 R117 C118	E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 3Å; E114-R117 HydrophobicContact CB-CB 4.28Å; E114-R117 HydrophobicContact CB-CG 4.06Å; E114-R117 PolarHBondContact O-N 3.18Å; E114-R117 IonicContact OE1-CZ 3.97Å; E114-R117 IonicContact OE1-NE 3.08Å; E114-R117 IonicContact OE1-NH2 3.7Å; E114-R117 PolarHBondContact OE1-NH2 3.39Å; E114-R117 VanDerWaalsContact OE1-NH2 3.11Å; E114-R117 WeakPolarHBondContact OE2-CD 3.47Å; E114-R117 IonicContact OE2-CZ 3.54Å; E114-R117 IonicContact OE2-NE 3.64Å; E114-R117 PolarHBondContact OE2-NE 3.5Å; E114-R117 IonicContact OE2-NH2 3.11Å; E114-R117 PolarHBondContact OE2-NH2 2.98Å; E114-C118 WeakPolarHBondContact O-CB 3.49Å; E114-C118 PolarHBondContact O-N 2.82Å
115	E	79.9	Confident	88.5	Confident	179 Å²	179	72.1 Å²	72.1	84%	0.836	35%	0.348	S	S	*	.	H	α-helix	trans	-54.9	-41.7	-178.2	-173.5	-179	169.3	0	0	112.2	C118 R119	E115-C118 WeakPolarHBondContact O-CB 3.21Å; E115-C118 PolarHBondContact O-N 3.28Å; E115-R119 PolarHBondContact O-N 3.47Å
116	Q	83.7	Confident	88.6	Confident	115 Å²	115	64.9 Å²	64.9	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-45.3	179.8	-178.3	59.2	22.3	0	0	112.4	E114 C118 R119 E120	E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 3Å; Q116-C118 VanDerWaalsContact C-N 3.32Å; Q116-R119 WeakPolarHBondContact O-CB 3.29Å; Q116-R119 PolarHBondContact O-N 2.89Å; Q116-E120 PolarHBondContact NE2-OE1 3.06Å; Q116-E120 WeakPolarHBondContact O-CG 3.38Å; Q116-E120 PolarHBondContact O-N 3.05Å
117	R	86.3	Confident	88.5	Confident	105 Å²	105	69.4 Å²	69.4	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-70.4	-33.3	178.5	-60.1	-167.4	-165.4	-177.1	6.2	112.2	Q111 E114 R119 E120 G121	Q111-R117 HydrophobicContact CB-CB 4.01Å; E114-R117 HydrophobicContact CB-CB 4.28Å; E114-R117 HydrophobicContact CB-CG 4.06Å; E114-R117 PolarHBondContact O-N 3.18Å; E114-R117 IonicContact OE1-CZ 3.97Å; E114-R117 IonicContact OE1-NE 3.08Å; E114-R117 IonicContact OE1-NH2 3.7Å; E114-R117 PolarHBondContact OE1-NH2 3.39Å; E114-R117 VanDerWaalsContact OE1-NH2 3.11Å; E114-R117 WeakPolarHBondContact OE2-CD 3.47Å; E114-R117 IonicContact OE2-CZ 3.54Å; E114-R117 IonicContact OE2-NE 3.64Å; E114-R117 PolarHBondContact OE2-NE 3.5Å; E114-R117 IonicContact OE2-NH2 3.11Å; E114-R117 PolarHBondContact OE2-NH2 2.98Å; R117-R119 VanDerWaalsContact C-N 3.31Å; R117-E120 PolarHBondContact O-N 3.45Å; R117-G121 PolarHBondContact O-N 3.33Å
118	C	85.6	Confident	88.4	Confident	7 Å²	7	68 Å²	68	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-45.6	172.9	-165.6	0	0	0	0	110.2	Q111 E114 E115 Q116 G121 A122 I152	Q111-C118 WeakPolarHBondContact O-CA 3.46Å; Q111-C118 VanDerWaalsContact O-CB 3.31Å; Q111-C118 WeakPolarHBondContact O-CB 3.1Å; Q111-C118 PolarHBondContact O-N 3.37Å; Q111-C118 VanDerWaalsContact O-N 3.11Å; E114-C118 WeakPolarHBondContact O-CB 3.49Å; E114-C118 PolarHBondContact O-N 2.82Å; E115-C118 WeakPolarHBondContact O-CB 3.21Å; E115-C118 PolarHBondContact O-N 3.28Å; Q116-C118 VanDerWaalsContact C-N 3.32Å; C118-G121 PolarHBondContact O-N 3.49Å; C118-A122 WeakPolarHBondContact O-CB 3.26Å; C118-A122 PolarHBondContact O-N 2.87Å; C118-I152 WeakPolarHBondContact SG-CD1 3.49Å
119	R	88.4	Confident	88.4	Confident	96 Å²	96	68.5 Å²	68.5	36%	0.362	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-47.9	174.4	-179.2	172.4	-169.2	155.1	5.8	112.3	E115 Q116 R117 G121 A122 L123 V138 L140	E115-R119 PolarHBondContact O-N 3.47Å; Q116-R119 WeakPolarHBondContact O-CB 3.29Å; Q116-R119 PolarHBondContact O-N 2.89Å; R117-R119 VanDerWaalsContact C-N 3.31Å; R119-G121 VanDerWaalsContact C-N 3.32Å; R119-G121 PolarHBondContact O-N 3Å; R119-A122 PolarHBondContact O-N 2.82Å; R119-L123 HydrophobicContact CG-CD1 3.93Å; R119-L123 HydrophobicContact CG-CG 4.23Å; R119-L123 WeakPolarHBondContact O-CB 3.22Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.29Å; R119-L123 PolarHBondContact O-N 3.32Å; R119-V138 PolarHBondContact NH2-O 2.94Å; R119-L140 HydrophobicContact CB-CD2 3.83Å; R119-L140 HydrophobicContact CG-CD1 4.15Å; R119-L140 HydrophobicContact CG-CD2 3.75Å
120	E	90.9	Very high	88.5	Confident	104 Å²	104	66.5 Å²	66.5	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-43.7	178.7	-73.4	167.3	-166.7	0	0	112	Q116 R117 L123 S124	Q116-E120 PolarHBondContact NE2-OE1 3.06Å; Q116-E120 WeakPolarHBondContact O-CG 3.38Å; Q116-E120 PolarHBondContact O-N 3.05Å; R117-E120 PolarHBondContact O-N 3.45Å; E120-L123 PolarHBondContact O-N 2.84Å; E120-S124 WeakPolarHBondContact O-CB 3.5Å; E120-S124 PolarHBondContact O-N 3.28Å
121	G	92.5	Very high	88.7	Confident	9 Å²	9	71.3 Å²	71.3	9%	0.093	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-45.3	175.1	0	0	0	0	0	112.8	R117 C118 R119 S124 L125	R117-G121 PolarHBondContact O-N 3.33Å; C118-G121 PolarHBondContact O-N 3.49Å; R119-G121 VanDerWaalsContact C-N 3.32Å; R119-G121 PolarHBondContact O-N 3Å; G121-S124 WeakPolarHBondContact O-CB 3.25Å; G121-S124 PolarHBondContact O-N 3.38Å; G121-L125 WeakPolarHBondContact O-CG 3.27Å; G121-L125 PolarHBondContact O-N 3.05Å
122	A	92.9	Very high	89.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-44.3	176.5	0	0	0	0	0	112	C118 R119 S124 L125 L126 L140 V166	C118-A122 WeakPolarHBondContact O-CB 3.26Å; C118-A122 PolarHBondContact O-N 2.87Å; R119-A122 PolarHBondContact O-N 2.82Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.07Å; A122-L125 WeakPolarHBondContact O-CB 3.38Å; A122-L125 PolarHBondContact O-N 2.81Å; A122-L126 WeakPolarHBondContact O-CG 3.42Å; A122-L126 PolarHBondContact O-N 3.23Å; A122-L140 HydrophobicContact CB-CD2 4.08Å; A122-V166 HydrophobicContact CB-CG2 4.47Å
123	L	93.4	Very high	90	Very high	28 Å²	28	72 Å²	72	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-37.8	177.2	-69.6	177.1	0	0	0	112.1	R119 E120 L125 L126 Q127 P135 V138	R119-L123 HydrophobicContact CG-CD1 3.93Å; R119-L123 HydrophobicContact CG-CG 4.23Å; R119-L123 WeakPolarHBondContact O-CB 3.22Å; R119-L123 VanDerWaalsContact O-CG 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.29Å; R119-L123 PolarHBondContact O-N 3.32Å; E120-L123 PolarHBondContact O-N 2.84Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.02Å; L123-L126 HydrophobicContact CD2-CD1 4.24Å; L123-L126 PolarHBondContact O-N 2.91Å; L123-Q127 WeakPolarHBondContact O-CG 3.36Å; L123-Q127 PolarHBondContact O-N 3.32Å; L123-P135 HydrophobicContact CD1-CB 4.43Å; L123-P135 HydrophobicContact CD2-CB 4.26Å; L123-V138 HydrophobicContact CD2-CB 3.88Å; L123-V138 HydrophobicContact CD2-CG1 4.09Å; L123-V138 HydrophobicContact CD2-CG2 4.03Å
124	S	94.9	Very high	90.9	Very high	39 Å²	39	67.2 Å²	67.2	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-39.3	174.5	-178.6	0	0	0	0	112.4	E120 G121 A122 H128	E120-S124 WeakPolarHBondContact O-CB 3.5Å; E120-S124 PolarHBondContact O-N 3.28Å; G121-S124 WeakPolarHBondContact O-CB 3.25Å; G121-S124 PolarHBondContact O-N 3.38Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.07Å; S124-H128 PolarHBondContact O-ND1 3.4Å
125	L	96	Very high	91.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-45.2	172.7	-65.7	165.4	0	0	0	111	L106 V108 V110 G121 A122 L123 Q127 H128 L129 V166 F202	L106-L125 HydrophobicContact CB-CD2 4.31Å; L106-L125 HydrophobicContact CD1-CD2 3.82Å; V108-L125 HydrophobicContact CB-CD2 3.81Å; V108-L125 HydrophobicContact CB-CG 4.4Å; V108-L125 HydrophobicContact CG1-CD2 4.01Å; V108-L125 HydrophobicContact CG1-CG 4.04Å; V108-L125 HydrophobicContact CG2-CD2 4.14Å; V110-L125 HydrophobicContact CG2-CD1 3.61Å; G121-L125 WeakPolarHBondContact O-CG 3.27Å; G121-L125 PolarHBondContact O-N 3.05Å; A122-L125 WeakPolarHBondContact O-CB 3.38Å; A122-L125 PolarHBondContact O-N 2.81Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 3.02Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.47Å; L125-H128 WeakPolarHBondContact O-CB 3.47Å; L125-H128 PolarHBondContact O-N 2.79Å; L125-L129 WeakPolarHBondContact O-CG 3.41Å; L125-L129 PolarHBondContact O-N 3.35Å; L125-L129 VanDerWaalsContact O-N 3.15Å; L125-V166 HydrophobicContact CD1-CG1 3.78Å; L125-F202 HydrophobicContact CD1-CD1 3.8Å; L125-F202 HydrophobicContact CD1-CE1 3.75Å; L125-F202 HydrophobicContact CD1-CE2 4.49Å; L125-F202 HydrophobicContact CD1-CG 4.2Å; L125-F202 HydrophobicContact CD1-CZ 4.12Å; L125-F202 HydrophobicContact CD2-CB 3.86Å; L125-F202 HydrophobicContact CD2-CD1 3.89Å; L125-F202 HydrophobicContact CD2-CG 3.97Å
126	L	95.1	Very high	91.9	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-30.6	-179.5	-65.4	171.9	0	0	0	113.4	A122 L123 H128 L129 R130 W133 V138 C154 V164	A122-L126 WeakPolarHBondContact O-CG 3.42Å; A122-L126 PolarHBondContact O-N 3.23Å; L123-L126 HydrophobicContact CD2-CD1 4.24Å; L123-L126 PolarHBondContact O-N 2.91Å; L126-H128 PolarHBondContact O-N 2.76Å; L126-L129 PolarHBondContact O-N 3.32Å; L126-R130 CarbonylContact O-C 3.58Å; L126-R130 WeakPolarHBondContact O-CA 3.41Å; L126-R130 PolarHBondContact O-N 2.87Å; L126-W133 HydrophobicContact CD1-CE3 4.25Å; L126-W133 HydrophobicContact CD1-CZ3 4.3Å; L126-W133 HydrophobicContact CD2-CE3 4.16Å; L126-W133 HydrophobicContact CD2-CZ3 3.85Å; L126-V138 HydrophobicContact CD1-CG1 3.65Å; L126-V138 HydrophobicContact CD1-CG2 4.33Å; L126-C154 HydrophobicContact CD1-CB 3.62Å; L126-C154 HydrophobicContact CD2-CB 4Å; L126-C154 HydrophobicContact CG-CB 4.33Å; L126-V164 HydrophobicContact CD2-CB 3.79Å; L126-V164 HydrophobicContact CD2-CG1 3.95Å; L126-V164 HydrophobicContact CD2-CG2 3.97Å
127	Q	93.7	Very high	92.3	Very high	117 Å²	117	65.5 Å²	65.5	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-29.6	172.8	-74.6	173.5	-4.6	0	0	112.6	L123 L125 P131	L123-Q127 WeakPolarHBondContact O-CG 3.36Å; L123-Q127 PolarHBondContact O-N 3.32Å; L125-Q127 VanDerWaalsContact C-N 3.3Å; L125-Q127 PolarHBondContact O-N 3.47Å; Q127-P131 WeakPolarHBondContact O-CB 3.31Å
128	H	93.6	Very high	92.6	Very high	114 Å²	114	60.7 Å²	60.7	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-84.9	-41	175.6	-62.5	79.5	0	0	0	112	L106 S124 L125 L126	L106-H128 HydrophobicContact CD1-CB 3.91Å; L106-H128 HydrophobicContact CD2-CB 4.48Å; S124-H128 PolarHBondContact O-ND1 3.4Å; L125-H128 WeakPolarHBondContact O-CB 3.47Å; L125-H128 PolarHBondContact O-N 2.79Å; L126-H128 PolarHBondContact O-N 2.76Å
129	L	93.9	Very high	92.9	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-85.2	-30.3	-171.8	-60.3	-178.3	0	0	0	114.1	L125 L126 V164 C200 C207	L125-L129 WeakPolarHBondContact O-CG 3.41Å; L125-L129 PolarHBondContact O-N 3.35Å; L125-L129 VanDerWaalsContact O-N 3.15Å; L126-L129 PolarHBondContact O-N 3.32Å; L129-V164 HydrophobicContact CD1-CG1 3.95Å; L129-C200 HydrophobicContact CD2-CB 4.19Å; L129-C207 HydrophobicContact CD1-CB 3.64Å
130	R	94.7	Very high	93.1	Very high	38 Å²	38	61 Å²	61	14%	0.143	31%	0.312	C	S	.	.			trans	-144.5	66.2	-176.3	-65.8	-65.2	-174.9	-79	-4.1	109.9	L126 H132 W133 D162 V164 Y199	L126-R130 CarbonylContact O-C 3.58Å; L126-R130 WeakPolarHBondContact O-CA 3.41Å; L126-R130 PolarHBondContact O-N 2.87Å; R130-H132 PolarHBondContact O-N 2.88Å; R130-W133 HydrophobicContact CB-CB 4.28Å; R130-W133 HydrophobicContact CB-CD2 3.51Å; R130-W133 HydrophobicContact CB-CE3 3.95Å; R130-W133 HydrophobicContact CB-CG 3.64Å; R130-W133 HydrophobicContact CB-CZ2 4.42Å; R130-W133 HydrophobicContact CG-CD2 3.83Å; R130-W133 HydrophobicContact CG-CE3 4.16Å; R130-W133 HydrophobicContact CG-CG 4.4Å; R130-W133 HydrophobicContact CG-CH2 4.13Å; R130-W133 HydrophobicContact CG-CZ2 3.8Å; R130-W133 HydrophobicContact CG-CZ3 4.29Å; R130-W133 WeakPolarHBondContact O-CB 3.35Å; R130-W133 PolarHBondContact O-N 3.22Å; R130-D162 IonicContact CZ-OD1 2.78Å; R130-D162 IonicContact CZ-OD2 3.31Å; R130-D162 IonicContact NE-OD1 3.7Å; R130-D162 PolarHBondContact NE-OD1 3.4Å; R130-D162 IonicContact NE-OD2 3.43Å; R130-D162 PolarHBondContact NE-OD2 2.81Å; R130-D162 IonicContact NH2-OD1 3.94Å; R130-D162 PolarHBondContact NH2-OD1 3.15Å; R130-D162 IonicContact NH2-OD2 3.75Å; R130-V164 HydrophobicContact CG-CG2 4.2Å; R130-Y199 PolarHBondContact NH2-OH 3.3Å
131	P	93.8	Very high	93	Very high	102 Å²	102	59.2 Å²	59.2	66%	0.662	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14	-176.4	25.5	-35.8	0	0	0	114.3	Q127	Q127-P131 WeakPolarHBondContact O-CB 3.31Å
132	H	93.1	Very high	92.6	Very high	137 Å²	137	63.1 Å²	63.1	63%	0.634	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.6	178.4	60.8	-85	0	0	0	113.4	R130	R130-H132 PolarHBondContact O-N 2.88Å
133	W	94	Very high	92.1	Very high	28 Å²	28	65.7 Å²	65.7	11%	0.106	33%	0.333	C	S	.	.	S	Bend	trans	-77	129.1	174.6	-71.3	5.2	0	0	0	110	L126 R130 P135 V138 C154 V156 D162 V164	L126-W133 HydrophobicContact CD1-CE3 4.25Å; L126-W133 HydrophobicContact CD1-CZ3 4.3Å; L126-W133 HydrophobicContact CD2-CE3 4.16Å; L126-W133 HydrophobicContact CD2-CZ3 3.85Å; R130-W133 HydrophobicContact CB-CB 4.28Å; R130-W133 HydrophobicContact CB-CD2 3.51Å; R130-W133 HydrophobicContact CB-CE3 3.95Å; R130-W133 HydrophobicContact CB-CG 3.64Å; R130-W133 HydrophobicContact CB-CZ2 4.42Å; R130-W133 HydrophobicContact CG-CD2 3.83Å; R130-W133 HydrophobicContact CG-CE3 4.16Å; R130-W133 HydrophobicContact CG-CG 4.4Å; R130-W133 HydrophobicContact CG-CH2 4.13Å; R130-W133 HydrophobicContact CG-CZ2 3.8Å; R130-W133 HydrophobicContact CG-CZ3 4.29Å; R130-W133 WeakPolarHBondContact O-CB 3.35Å; R130-W133 PolarHBondContact O-N 3.22Å; W133-P135 VanDerWaalsContact O-CD 3.28Å; W133-P135 WeakPolarHBondContact O-CD 3.46Å; W133-V138 HydrophobicContact CB-CG2 4.31Å; W133-V138 HydrophobicContact CE3-CG2 4.15Å; W133-C154 WeakPolarHBondContact CH2-O 3.44Å; W133-C154 HydrophobicContact CZ3-CB 4.4Å; W133-C154 WeakPolarHBondContact CZ3-O 3.38Å; W133-V156 HydrophobicContact CB-CG2 3.85Å; W133-V156 HydrophobicContact CD2-CB 4.49Å; W133-V156 HydrophobicContact CD2-CG2 3.62Å; W133-V156 HydrophobicContact CE3-CG2 3.89Å; W133-V156 HydrophobicContact CG-CG2 3.62Å; W133-D162 WeakPolarHBondContact CH2-O 3.25Å; W133-D162 HydrophobicContact CZ2-CB 4.15Å; W133-D162 WeakPolarHBondContact CZ2-O 3.45Å; W133-D162 WeakPolarHBondContact CZ2-OD2 3.49Å; W133-V164 HydrophobicContact CH2-CG2 4.04Å; W133-V164 HydrophobicContact CZ3-CG2 4.38Å
134	D	92.4	Very high	90.9	Very high	70 Å²	70	69.7 Å²	69.7	37%	0.374	36%	0.358	S	S	.	.			trans	-69.8	117.7	169.2	-175.5	-16.8	0	0	0	108.9	Q136 E137 V138	D134-Q136 PolarHBondContact O-N 2.96Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q136 PolarHBondContact OD1-N 3.41Å; D134-E137 HydrophobicContact CB-CB 4.3Å; D134-E137 HydrophobicContact CB-CG 4.03Å; D134-E137 PolarHBondContact O-N 3.36Å; D134-V138 WeakPolarHBondContact O-CG2 3.28Å; D134-V138 PolarHBondContact O-N 3.3Å
135	P	91.3	Very high	89.6	Confident	54 Å²	54	74 Å²	74	35%	0.351	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.3	179.2	-26.2	36	0	0	0	114.6	L123 W133	L123-P135 HydrophobicContact CD1-CB 4.43Å; L123-P135 HydrophobicContact CD2-CB 4.26Å; W133-P135 VanDerWaalsContact O-CD 3.28Å; W133-P135 WeakPolarHBondContact O-CD 3.46Å
136	Q	90.3	Very high	88.1	Confident	172 Å²	172	76.3 Å²	76.3	80%	0.804	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-25.9	177.8	-59.6	-173.9	29.1	0	0	112.8	D134	D134-Q136 PolarHBondContact O-N 2.96Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q136 PolarHBondContact OD1-N 3.41Å
137	E	91.8	Very high	86.7	Confident	121 Å²	121	78.4 Å²	78.4	57%	0.565	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.6	-179.9	-60.3	-169.6	158.5	0	0	112.9	D134 T139 V156	D134-E137 HydrophobicContact CB-CB 4.3Å; D134-E137 HydrophobicContact CB-CG 4.03Å; D134-E137 PolarHBondContact O-N 3.36Å; E137-T139 PolarHBondContact O-N 3.35Å; E137-V156 HydrophobicContact CB-CG1 4.12Å
138	V	92.9	Very high	85.2	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.024	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.2	177.9	-176.1	0	0	0	0	110.3	R119 L123 L126 W133 D134 L140 C154 V156	R119-V138 PolarHBondContact NH2-O 2.94Å; L123-V138 HydrophobicContact CD2-CB 3.88Å; L123-V138 HydrophobicContact CD2-CG1 4.09Å; L123-V138 HydrophobicContact CD2-CG2 4.03Å; L126-V138 HydrophobicContact CD1-CG1 3.65Å; L126-V138 HydrophobicContact CD1-CG2 4.33Å; W133-V138 HydrophobicContact CB-CG2 4.31Å; W133-V138 HydrophobicContact CE3-CG2 4.15Å; D134-V138 WeakPolarHBondContact O-CG2 3.28Å; D134-V138 PolarHBondContact O-N 3.3Å; V138-L140 HydrophobicContact CB-CD1 4.49Å; V138-L140 HydrophobicContact CG1-CD1 3.83Å; V138-C154 HydrophobicContact CG1-CB 4.27Å; V138-V156 HydrophobicContact CG2-CG2 3.92Å
139	T	91.9	Very high	84.3	Confident	61 Å²	61	69 Å²	69	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	169.3	-61.4	0	0	0	0	109.6	E137 C154 Y155	E137-T139 PolarHBondContact O-N 3.35Å; T139-C154 WeakPolarHBondContact O-CA 3.26Å; T139-Y155 HydrophobicContact CG2-CE1 4.09Å; T139-Y155 HydrophobicContact CG2-CE2 4.13Å; T139-Y155 PolarHBondContact N-O 3.39Å; T139-Y155 PolarHBondContact O-N 3.47Å; T139-Y155 VanDerWaalsContact O-N 3.12Å
140	L	90.9	Very high	83.8	Confident	49 Å²	49	70.5 Å²	70.5	26%	0.257	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	175.4	-76.1	75.1	0	0	0	108.3	R119 A122 V138 I152 G153	R119-L140 HydrophobicContact CB-CD2 3.83Å; R119-L140 HydrophobicContact CG-CD1 4.15Å; R119-L140 HydrophobicContact CG-CD2 3.75Å; A122-L140 HydrophobicContact CB-CD2 4.08Å; V138-L140 HydrophobicContact CB-CD1 4.49Å; V138-L140 HydrophobicContact CG1-CD1 3.83Å; L140-I152 HydrophobicContact CB-CG2 4.09Å; L140-I152 HydrophobicContact CD2-CG2 4.26Å; L140-I152 HydrophobicContact CG-CG2 4.22Å; L140-G153 WeakPolarHBondContact CA-O 2.94Å
141	Q	89.3	Confident	83.5	Confident	67 Å²	67	70.6 Å²	70.6	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.6	176.6	178.8	170.5	-23.7	0	0	109.7	I152 G153 Y155	Q141-I152 CarbonylContact O-C 3.51Å; Q141-I152 WeakPolarHBondContact O-CA 3.37Å; Q141-G153 PolarHBondContact N-O 3.24Å; Q141-G153 PolarHBondContact O-N 3.17Å; Q141-Y155 HydrophobicContact CB-CE1 4.19Å
142	L	85.7	Confident	83.4	Confident	91 Å²	91	66 Å²	66	48%	0.476	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.3	175.1	-174	68	0	0	0	110	T144 K150 I152	L142-T144 HydrophobicContact CD2-CG2 4.19Å; L142-T144 HydrophobicContact CG-CG2 4.28Å; L142-K150 HydrophobicContact CD1-CD 4.26Å; L142-K150 HydrophobicContact CD1-CG 3.72Å; L142-I152 HydrophobicContact CD1-CG1 4.02Å
143	F	80.7	Confident	83.4	Confident	54 Å²	54	59.6 Å²	59.6	24%	0.237	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.7	169	-63	-84.2	0	0	0	109.3	L151 L165 F210	F143-L151 HydrophobicContact CB-CB 4.14Å; F143-L151 HydrophobicContact CB-CD2 4.16Å; F143-L151 HydrophobicContact CB-CG 4.32Å; F143-L151 HydrophobicContact CD2-CD2 4.08Å; F143-L151 HydrophobicContact CD2-CG 3.97Å; F143-L151 HydrophobicContact CG-CD2 4.27Å; F143-L151 HydrophobicContact CG-CG 4.49Å; F143-L151 PolarHBondContact N-O 3.21Å; F143-L165 HydrophobicContact CD2-CD2 4.18Å; F143-L165 HydrophobicContact CE2-CD2 3.64Å; F143-L165 HydrophobicContact CZ-CD2 4.45Å; F143-F210 HydrophobicContact CE1-CE2 4.43Å; F143-F210 HydrophobicContact CZ-CD2 4.46Å; F143-F210 AromaticContact CZ-CE2 3.95Å; F143-F210 HydrophobicContact CZ-CE2 3.95Å
144	T	69.7	Low	83.4	Confident	111 Å²	111	58.2 Å²	58.2	68%	0.681	32%	0.315	S	S	*	.			trans	-111.7	1	-171.5	51.6	0	0	0	0	114.3	L142 G146	L142-T144 HydrophobicContact CD2-CG2 4.19Å; L142-T144 HydrophobicContact CG-CG2 4.28Å; T144-G146 PolarHBondContact O-N 2.89Å
145	D	66.1	Low	83.5	Confident	129 Å²	129	56.4 Å²	56.4	69%	0.69	30%	0.303	S	S	*	.			trans	-82	-12.4	-171.8	-60.9	-32.8	0	0	0	113.8
146	G	64.9	Low	83.5	Confident	49 Å²	49	55.7 Å²	55.7	51%	0.505	30%	0.297	S	S	.	.			trans	-85	141.3	179.6	0	0	0	0	0	113.4	T144	T144-G146 PolarHBondContact O-N 2.89Å
147	I	66.1	Low	83.3	Confident	50 Å²	50	49.4 Å²	49.4	26%	0.256	28%	0.279	S	S	.	.	S	Bend	trans	-100.8	0.6	-179.3	65.8	-179.5	0	0	0	114.4	W413 I423	I147-W413 HydrophobicContact CD1-CH2 3.69Å; I147-W413 HydrophobicContact CD1-CZ2 4.39Å; I147-W413 HydrophobicContact CG1-CH2 4.38Å; I147-I423 VanDerWaalsContact C-CD1 3.43Å; I147-I423 WeakPolarHBondContact O-CD1 3.49Å
148	T	62.1	Low	82.5	Confident	13 Å²	13	51.8 Å²	51.8	8%	0.08	30%	0.296	C	S	.	.	S	Bend	trans	-122.9	-33.1	-178.3	-51.3	0	0	0	0	112.7	G170 T173 E331	T148-G170 WeakPolarHBondContact O-CA 3.32Å; T148-G170 PolarHBondContact O-N 3.4Å; T148-T173 HydrophobicContact CG2-CG2 3.5Å; T148-E331 WeakPolarHBondContact CB-OE1 3.27Å; T148-E331 WeakPolarHBondContact CG2-OE1 3.27Å; T148-E331 PolarHBondContact OG1-OE1 3.48Å
149	N	75.5	Confident	81.4	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.102	32%	0.317	C	S	.	.			trans	-134.1	152.8	-166.8	-61.8	-56.9	0	0	0	111.6	R167 G170 E331	N149-R167 HydrophobicContact CB-CG 3.8Å; N149-G170 PolarHBondContact OD1-N 3.48Å; N149-E331 PolarHBondContact ND2-OE2 2.81Å
150	K	83.1	Confident	80.8	Confident	62 Å²	62	55.6 Å²	55.6	27%	0.27	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	171.7	-165.1	175.4	-161.4	172	0	109.2	D112 L142 R167 I168	D112-K150 HydrophobicContact CB-CD 3.94Å; D112-K150 PolarHBondContact O-NZ 3.14Å; L142-K150 HydrophobicContact CD1-CD 4.26Å; L142-K150 HydrophobicContact CD1-CG 3.72Å; K150-R167 WeakPolarHBondContact O-CA 3.24Å; K150-I168 HydrophobicContact CB-CB 4.34Å; K150-I168 HydrophobicContact CD-CD1 4.5Å; K150-I168 PolarHBondContact N-O 3.24Å; K150-I168 VanDerWaalsContact N-O 3.11Å; K150-I168 PolarHBondContact O-N 2.84Å
151	L	89.1	Confident	80.3	Confident	40 Å²	40	61 Å²	61	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	-174.5	-175.4	68.1	0	0	0	111.1	F143 L165 R167 Y208	F143-L151 HydrophobicContact CB-CB 4.14Å; F143-L151 HydrophobicContact CB-CD2 4.16Å; F143-L151 HydrophobicContact CB-CG 4.32Å; F143-L151 HydrophobicContact CD2-CD2 4.08Å; F143-L151 HydrophobicContact CD2-CG 3.97Å; F143-L151 HydrophobicContact CG-CD2 4.27Å; F143-L151 HydrophobicContact CG-CG 4.49Å; F143-L151 PolarHBondContact N-O 3.21Å; L151-L165 HydrophobicContact CD1-CB 4Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 4.11Å; L151-L165 HydrophobicContact CD1-CG 4.43Å; L151-L165 HydrophobicContact CD2-CD2 4.28Å; L151-L165 HydrophobicContact CG-CD2 4.1Å; L151-R167 HydrophobicContact CD1-CB 3.73Å; L151-R167 HydrophobicContact CD1-CG 4.07Å; L151-Y208 HydrophobicContact CD1-CE1 4.47Å; L151-Y208 WeakPolarHBondContact CD1-OH 3.45Å
152	I	91.3	Very high	80.3	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.6	-177.3	-54.5	164.6	0	0	0	108.8	C118 L140 Q141 L142 L165 V166 I168	C118-I152 WeakPolarHBondContact SG-CD1 3.49Å; L140-I152 HydrophobicContact CB-CG2 4.09Å; L140-I152 HydrophobicContact CD2-CG2 4.26Å; L140-I152 HydrophobicContact CG-CG2 4.22Å; Q141-I152 CarbonylContact O-C 3.51Å; Q141-I152 WeakPolarHBondContact O-CA 3.37Å; L142-I152 HydrophobicContact CD1-CG1 4.02Å; I152-L165 CarbonylContact O-C 3.2Å; I152-L165 WeakPolarHBondContact O-CA 3.48Å; I152-V166 HydrophobicContact CB-CB 4.4Å; I152-V166 PolarHBondContact N-O 3.37Å; I152-V166 PolarHBondContact O-N 3.12Å; I152-I168 HydrophobicContact CD1-CD1 4.12Å
153	G	93.3	Very high	80.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.1	168	0	0	0	0	0	110.7	L140 Q141	L140-G153 WeakPolarHBondContact CA-O 2.94Å; Q141-G153 PolarHBondContact N-O 3.24Å; Q141-G153 PolarHBondContact O-N 3.17Å
154	C	94.3	Very high	81.4	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.2	177.1	-62.2	0	0	0	0	109.8	L126 W133 V138 T139 V163 V164	L126-C154 HydrophobicContact CD1-CB 3.62Å; L126-C154 HydrophobicContact CD2-CB 4Å; L126-C154 HydrophobicContact CG-CB 4.33Å; W133-C154 WeakPolarHBondContact CH2-O 3.44Å; W133-C154 HydrophobicContact CZ3-CB 4.4Å; W133-C154 WeakPolarHBondContact CZ3-O 3.38Å; V138-C154 HydrophobicContact CG1-CB 4.27Å; T139-C154 WeakPolarHBondContact O-CA 3.26Å; C154-V163 WeakPolarHBondContact O-CA 3.49Å; C154-V164 HydrophobicContact CB-CB 4.49Å; C154-V164 WeakPolarHBondContact CB-O 3.38Å; C154-V164 PolarHBondContact N-O 2.89Å; C154-V164 PolarHBondContact O-N 3.32Å
155	Y	93.9	Very high	82.6	Confident	31 Å²	31	49.1 Å²	49.1	12%	0.122	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.1	180	60.7	-86.1	0	0	0	112.1	T139 Q141 M160 V163	T139-Y155 HydrophobicContact CG2-CE1 4.09Å; T139-Y155 HydrophobicContact CG2-CE2 4.13Å; T139-Y155 PolarHBondContact N-O 3.39Å; T139-Y155 PolarHBondContact O-N 3.47Å; T139-Y155 VanDerWaalsContact O-N 3.12Å; Q141-Y155 HydrophobicContact CB-CE1 4.19Å; Y155-M160 HydrophobicContact CE1-CE 3.89Å; Y155-M160 HydrophobicContact CE1-CG 4.49Å; Y155-M160 HydrophobicContact CE2-CG 4.5Å; Y155-V163 HydrophobicContact CD1-CG1 4.31Å; Y155-V163 HydrophobicContact CD1-CG2 4.47Å; Y155-V163 HydrophobicContact CG-CG2 4.38Å
156	V	91.6	Very high	84	Confident	39 Å²	39	43 Å²	43	24%	0.236	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.4	175.2	174.6	0	0	0	0	109.5	W133 E137 V138	W133-V156 HydrophobicContact CB-CG2 3.85Å; W133-V156 HydrophobicContact CD2-CB 4.49Å; W133-V156 HydrophobicContact CD2-CG2 3.62Å; W133-V156 HydrophobicContact CE3-CG2 3.89Å; W133-V156 HydrophobicContact CG-CG2 3.62Å; E137-V156 HydrophobicContact CB-CG1 4.12Å; V138-V156 HydrophobicContact CG2-CG2 3.92Å
157	G	84.8	Confident	85.3	Confident	41 Å²	41	40.9 Å²	40.9	42%	0.423	22%	0.221	S	C	.	.	S	Bend	trans	83.3	-165.2	178.3	0	0	0	0	0	114
158	N	75.4	Confident	86.5	Confident	171 Å²	171	38.5 Å²	38.5	91%	0.914	21%	0.209	S	C	*	.	S	Bend	trans	-99	-4.8	-174.4	-63.6	-37	0	0	0	113.5
159	T	70.5	Confident	87.7	Confident	77 Å²	77	39.8 Å²	39.8	47%	0.472	21%	0.212	S	C	.	.	S	Bend	trans	-112.4	128.6	-179.2	52.3	0	0	0	0	109	E161	T159-E161 PolarHBondContact O-N 3.04Å
160	M	78	Confident	87.8	Confident	67 Å²	67	39.7 Å²	39.7	33%	0.33	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	45	175.2	-71.1	-175.3	178.8	0	0	111	Y155 V163 Q212	Y155-M160 HydrophobicContact CE1-CE 3.89Å; Y155-M160 HydrophobicContact CE1-CG 4.49Å; Y155-M160 HydrophobicContact CE2-CG 4.5Å; M160-V163 HydrophobicContact CB-CG2 3.68Å; M160-V163 HydrophobicContact CG-CG2 4.15Å; M160-Q212 PolarHBondContact O-NE2 3.03Å
161	E	80.3	Confident	87.3	Confident	162 Å²	162	41.4 Å²	41.4	76%	0.757	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-41	-176.8	-75.7	170.6	-163.9	0	0	112.2	T159	T159-E161 PolarHBondContact O-N 3.04Å
162	D	89.2	Confident	86.6	Confident	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.237	S	C	.	.	S	Bend	trans	-121	97.5	173.9	-173.8	13.7	0	0	0	108.8	R130 W133	R130-D162 IonicContact CZ-OD1 2.78Å; R130-D162 IonicContact CZ-OD2 3.31Å; R130-D162 IonicContact NE-OD1 3.7Å; R130-D162 PolarHBondContact NE-OD1 3.4Å; R130-D162 IonicContact NE-OD2 3.43Å; R130-D162 PolarHBondContact NE-OD2 2.81Å; R130-D162 IonicContact NH2-OD1 3.94Å; R130-D162 PolarHBondContact NH2-OD1 3.15Å; R130-D162 IonicContact NH2-OD2 3.75Å; W133-D162 WeakPolarHBondContact CH2-O 3.25Å; W133-D162 HydrophobicContact CZ2-CB 4.15Å; W133-D162 WeakPolarHBondContact CZ2-O 3.45Å; W133-D162 WeakPolarHBondContact CZ2-OD2 3.49Å
163	V	94	Very high	85.9	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.4	-179.5	-173.6	0	0	0	0	109.2	C154 Y155 M160 F210	C154-V163 WeakPolarHBondContact O-CA 3.49Å; Y155-V163 HydrophobicContact CD1-CG1 4.31Å; Y155-V163 HydrophobicContact CD1-CG2 4.47Å; Y155-V163 HydrophobicContact CG-CG2 4.38Å; M160-V163 HydrophobicContact CB-CG2 3.68Å; M160-V163 HydrophobicContact CG-CG2 4.15Å; V163-F210 HydrophobicContact CB-CB 3.61Å; V163-F210 HydrophobicContact CB-CD1 4.3Å; V163-F210 HydrophobicContact CB-CG 4.08Å; V163-F210 HydrophobicContact CG1-CB 3.9Å; V163-F210 HydrophobicContact CG1-CG 4.21Å; V163-F210 HydrophobicContact CG2-CB 4.46Å; V163-F210 HydrophobicContact CG2-CD1 4.26Å; V163-F210 PolarHBondContact O-N 3.43Å
164	V	95.7	Very high	85.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.8	171.5	177.8	0	0	0	0	108.3	L126 L129 R130 W133 C154 V166 Y199 C207	L126-V164 HydrophobicContact CD2-CB 3.79Å; L126-V164 HydrophobicContact CD2-CG1 3.95Å; L126-V164 HydrophobicContact CD2-CG2 3.97Å; L129-V164 HydrophobicContact CD1-CG1 3.95Å; R130-V164 HydrophobicContact CG-CG2 4.2Å; W133-V164 HydrophobicContact CH2-CG2 4.04Å; W133-V164 HydrophobicContact CZ3-CG2 4.38Å; C154-V164 HydrophobicContact CB-CB 4.49Å; C154-V164 WeakPolarHBondContact CB-O 3.38Å; C154-V164 PolarHBondContact N-O 2.89Å; C154-V164 PolarHBondContact O-N 3.32Å; V164-V166 HydrophobicContact CG1-CG2 4.48Å; V164-Y199 HydrophobicContact CG1-CD2 4.15Å; V164-Y199 HydrophobicContact CG1-CE2 4.41Å; V164-Y199 HydrophobicContact CG2-CD2 4.45Å; V164-Y199 HydrophobicContact CG2-CE2 4.09Å; V164-C207 HydrophobicContact CG1-CB 4.2Å
165	L	95.4	Very high	84.4	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.6	169.8	-68.9	173	0	0	0	109.8	F143 L151 I152 C207 Y208 F210	F143-L165 HydrophobicContact CD2-CD2 4.18Å; F143-L165 HydrophobicContact CE2-CD2 3.64Å; F143-L165 HydrophobicContact CZ-CD2 4.45Å; L151-L165 HydrophobicContact CD1-CB 4Å; L151-L165 HydrophobicContact CD1-CD1 4.45Å; L151-L165 HydrophobicContact CD1-CD2 4.11Å; L151-L165 HydrophobicContact CD1-CG 4.43Å; L151-L165 HydrophobicContact CD2-CD2 4.28Å; L151-L165 HydrophobicContact CG-CD2 4.1Å; I152-L165 CarbonylContact O-C 3.2Å; I152-L165 WeakPolarHBondContact O-CA 3.48Å; L165-C207 CarbonylContact O-C 3.51Å; L165-C207 WeakPolarHBondContact O-CA 3.35Å; L165-Y208 HydrophobicContact CB-CD2 4.25Å; L165-Y208 HydrophobicContact CB-CE1 4.42Å; L165-Y208 HydrophobicContact CB-CE2 4.1Å; L165-Y208 HydrophobicContact CB-CG 4.48Å; L165-Y208 WeakPolarHBondContact CB-O 3.36Å; L165-Y208 HydrophobicContact CD1-CD2 3.9Å; L165-Y208 HydrophobicContact CD1-CE2 3.39Å; L165-Y208 HydrophobicContact CG-CE2 4.41Å; L165-Y208 PolarHBondContact N-O 3.47Å; L165-Y208 PolarHBondContact O-N 2.92Å; L165-F210 HydrophobicContact CD1-CB 4.19Å; L165-F210 HydrophobicContact CD1-CD2 4.01Å; L165-F210 HydrophobicContact CD2-CD2 3.94Å; L165-F210 HydrophobicContact CG-CB 4.02Å; L165-F210 HydrophobicContact CG-CD2 4.13Å
166	V	95.1	Very high	83.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.6	170.9	-176.9	0	0	0	0	107.3	A122 L125 I152 V164 F202	A122-V166 HydrophobicContact CB-CG2 4.47Å; L125-V166 HydrophobicContact CD1-CG1 3.78Å; I152-V166 HydrophobicContact CB-CB 4.4Å; I152-V166 PolarHBondContact N-O 3.37Å; I152-V166 PolarHBondContact O-N 3.12Å; V164-V166 HydrophobicContact CG1-CG2 4.48Å; V166-F202 HydrophobicContact CG1-CE1 4.04Å; V166-F202 HydrophobicContact CG1-CZ 3.9Å
167	R	93.1	Very high	83.6	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.6	176.6	-167.4	-177.5	67.4	161	8	110	N149 K150 L151 E182 F202 G205 L206 Y208 D329	N149-R167 HydrophobicContact CB-CG 3.8Å; K150-R167 WeakPolarHBondContact O-CA 3.24Å; L151-R167 HydrophobicContact CD1-CB 3.73Å; L151-R167 HydrophobicContact CD1-CG 4.07Å; R167-E182 IonicContact CZ-OE1 3.73Å; R167-E182 VanDerWaalsContact CZ-OE1 3.31Å; R167-E182 IonicContact NH1-OE1 2.75Å; R167-E182 PolarHBondContact NH1-OE1 3.31Å; R167-E182 VanDerWaalsContact NH1-OE1 3.09Å; R167-E182 IonicContact NH2-OE1 3.49Å; R167-E182 PolarHBondContact NH2-OE1 3.06Å; R167-E182 IonicContact NH2-OE2 2.62Å; R167-E182 PolarHBondContact NH2-OE2 3.03Å; R167-F202 WeakPolarHBondContact O-CZ 3.45Å; R167-G205 CarbonylContact O-C 3.57Å; R167-G205 WeakPolarHBondContact O-CA 3.44Å; R167-L206 HydrophobicContact CB-CD1 4.31Å; R167-L206 PolarHBondContact N-O 2.77Å; R167-L206 PolarHBondContact O-N 2.98Å; R167-Y208 HydrophobicContact CB-CE1 3.72Å; R167-D329 IonicContact NH1-OD1 3.61Å; R167-D329 PolarHBondContact NH1-OD1 2.95Å
168	I	90.3	Very high	83.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.8	177.8	-51	167.5	0	0	0	107.7	V110 D112 K150 I152 F202	V110-I168 HydrophobicContact CB-CD1 4.01Å; V110-I168 HydrophobicContact CB-CG1 4.23Å; V110-I168 HydrophobicContact CG1-CD1 3.52Å; V110-I168 HydrophobicContact CG1-CG1 4.22Å; D112-I168 HydrophobicContact CB-CD1 4.14Å; D112-I168 HydrophobicContact CB-CG2 4.47Å; K150-I168 HydrophobicContact CB-CB 4.34Å; K150-I168 HydrophobicContact CD-CD1 4.5Å; K150-I168 PolarHBondContact N-O 3.24Å; K150-I168 VanDerWaalsContact N-O 3.11Å; K150-I168 PolarHBondContact O-N 2.84Å; I152-I168 HydrophobicContact CD1-CD1 4.12Å; I168-F202 HydrophobicContact CG1-CZ 4.45Å
169	Y	88.1	Confident	84.3	Confident	40 Å²	40	44.7 Å²	44.7	16%	0.157	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.7	136.2	179.6	-58	-37.3	0	0	0	111	R179 N204 G205 L206	Y169-R179 HydrophobicContact CD2-CG 4.35Å; Y169-R179 HydrophobicContact CE2-CB 4.49Å; Y169-R179 HydrophobicContact CE2-CG 3.98Å; Y169-N204 WeakPolarHBondContact CD2-O 3.43Å; Y169-N204 PolarHBondContact N-O 2.94Å; Y169-G205 VanDerWaalsContact CE2-N 3.35Å; Y169-L206 HydrophobicContact CE1-CD2 4.1Å; Y169-L206 HydrophobicContact CE1-CG 4.13Å; Y169-L206 WeakPolarHBondContact OH-CD2 3.4Å
170	G	77.9	Confident	85.1	Confident	16 Å²	16	46.5 Å²	46.5	17%	0.165	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.9	160.4	175.6	0	0	0	0	0	113.7	T148 N149 K172 T173	T148-G170 WeakPolarHBondContact O-CA 3.32Å; T148-G170 PolarHBondContact O-N 3.4Å; N149-G170 PolarHBondContact OD1-N 3.48Å; G170-K172 PolarHBondContact O-N 3.47Å; G170-T173 WeakPolarHBondContact O-CB 3.45Å; G170-T173 VanDerWaalsContact O-CG2 3.28Å; G170-T173 WeakPolarHBondContact O-CG2 3.4Å; G170-T173 PolarHBondContact O-N 2.9Å; G170-T173 PolarHBondContact O-OG1 3.33Å
171	N	72.2	Confident	85.6	Confident	98 Å²	98	45.6 Å²	45.6	52%	0.524	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	128.2	178.7	-174.6	37.8	0	0	0	111.8	T173	N171-T173 PolarHBondContact O-N 3.08Å; N171-T173 VanDerWaalsContact O-N 3.12Å
172	K	74	Confident	86.1	Confident	92 Å²	92	38 Å²	38	40%	0.4	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	16.3	178.1	-62.5	-178.3	178.9	174.7	0	115.8	G170 E174 L175 Y420	G170-K172 PolarHBondContact O-N 3.47Å; K172-E174 WeakPolarHBondContact CA-OE2 3.39Å; K172-E174 PolarHBondContact N-OE2 3.47Å; K172-E174 PolarHBondContact O-N 2.85Å; K172-L175 HydrophobicContact CB-CD1 4.05Å; K172-L175 HydrophobicContact CB-CG 4.45Å; K172-L175 WeakPolarHBondContact O-CB 3.18Å; K172-L175 WeakPolarHBondContact O-CG 3.33Å; K172-L175 PolarHBondContact O-N 3.48Å; K172-L175 VanDerWaalsContact O-N 3.16Å; K172-Y420 HydrophobicContact CD-CD1 4.27Å
173	T	76.3	Confident	86.2	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.037	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.9	-20.5	178.9	52.8	0	0	0	0	112.3	T148 G170 N171 L175 L176 V177 R179	T148-T173 HydrophobicContact CG2-CG2 3.5Å; G170-T173 WeakPolarHBondContact O-CB 3.45Å; G170-T173 VanDerWaalsContact O-CG2 3.28Å; G170-T173 WeakPolarHBondContact O-CG2 3.4Å; G170-T173 PolarHBondContact O-N 2.9Å; G170-T173 PolarHBondContact O-OG1 3.33Å; N171-T173 PolarHBondContact O-N 3.08Å; N171-T173 VanDerWaalsContact O-N 3.12Å; T173-L175 PolarHBondContact O-N 3.47Å; T173-L175 VanDerWaalsContact O-N 3.16Å; T173-L176 PolarHBondContact O-N 3.02Å; T173-V177 PolarHBondContact O-N 3.27Å; T173-R179 PolarHBondContact OG1-NH2 2.97Å
174	E	78.8	Confident	86.1	Confident	116 Å²	116	38.7 Å²	38.7	54%	0.542	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-61.8	-16.9	172.4	70.6	-79.8	-177.3	0	0	114.1	K172 L176	K172-E174 WeakPolarHBondContact CA-OE2 3.39Å; K172-E174 PolarHBondContact N-OE2 3.47Å; K172-E174 PolarHBondContact O-N 2.85Å; E174-L176 PolarHBondContact O-N 3.23Å
175	L	78.3	Confident	85.9	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.277	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-64.7	-31.8	170.6	-64.5	176.9	0	0	0	111.4	K172 T173 K258 Y420	K172-L175 HydrophobicContact CB-CD1 4.05Å; K172-L175 HydrophobicContact CB-CG 4.45Å; K172-L175 WeakPolarHBondContact O-CB 3.18Å; K172-L175 WeakPolarHBondContact O-CG 3.33Å; K172-L175 PolarHBondContact O-N 3.48Å; K172-L175 VanDerWaalsContact O-N 3.16Å; T173-L175 PolarHBondContact O-N 3.47Å; T173-L175 VanDerWaalsContact O-N 3.16Å; L175-K258 WeakPolarHBondContact O-CE 3.33Å; L175-K258 PolarHBondContact O-NZ 3.06Å; L175-Y420 HydrophobicContact CD1-CD2 4.39Å
176	L	82.9	Confident	85.8	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.052	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-35.4	-170.6	-59	170.6	0	0	0	112.1	T173 E174 Y259 I416 Q417	T173-L176 PolarHBondContact O-N 3.02Å; E174-L176 PolarHBondContact O-N 3.23Å; L176-Y259 HydrophobicContact CB-CE1 4.28Å; L176-Y259 HydrophobicContact CD2-CD1 3.82Å; L176-Y259 HydrophobicContact CD2-CD2 4.49Å; L176-Y259 HydrophobicContact CD2-CE1 3.43Å; L176-Y259 VanDerWaalsContact CD2-CE1 3.43Å; L176-Y259 HydrophobicContact CD2-CE2 4.15Å; L176-Y259 HydrophobicContact CD2-CG 4.34Å; L176-Y259 HydrophobicContact CG-CE1 4.47Å; L176-Y259 PolarHBondContact O-OH 2.79Å; L176-I416 HydrophobicContact CD2-CB 4.43Å; L176-I416 HydrophobicContact CD2-CD1 3.67Å; L176-I416 HydrophobicContact CD2-CG2 4.13Å; L176-Q417 HydrophobicContact CD1-CG 4.26Å
177	V	84.4	Confident	85.7	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.036	20%	0.203	C	C	.	.			trans	-111.7	131	-173.9	-176.5	0	0	0	0	111.2	T173 E331 Y332	T173-V177 PolarHBondContact O-N 3.27Å; V177-E331 HydrophobicContact CG1-CB 4.1Å; V177-E331 WeakPolarHBondContact CG1-O 3.34Å; V177-E331 HydrophobicContact CG2-CB 4.46Å; V177-E331 HydrophobicContact CG2-CG 4.25Å; V177-Y332 HydrophobicContact CG2-CE1 4.13Å
178	D	87.9	Confident	85.6	Confident	80 Å²	80	41.3 Å²	41.3	43%	0.428	20%	0.204	S	C	.	.			trans	-90.2	109.8	168.5	-173.9	-40.4	0	0	0	109.2	D180 E181 E182	D178-D180 VanDerWaalsContact C-N 3.3Å; D178-D180 PolarHBondContact O-N 3.33Å; D178-D180 WeakPolarHBondContact OD1-CB 3.4Å; D178-D180 PolarHBondContact OD1-N 3.1Å; D178-E181 HydrophobicContact CB-CB 4.01Å; D178-E181 HydrophobicContact CB-CG 4.07Å; D178-E181 PolarHBondContact O-N 3.24Å; D178-E181 PolarHBondContact OD1-N 3.49Å; D178-E182 WeakPolarHBondContact O-CB 3.17Å; D178-E182 PolarHBondContact O-N 3.39Å
179	R	88.1	Confident	85.8	Confident	35 Å²	35	41.3 Å²	41.3	13%	0.132	20%	0.204	C	C	.	.	H	α-helix	trans	-70	-26	-175.3	-58.5	-56.3	-178.7	-174.7	-2.4	113	Y169 T173 E182 V183 E331	Y169-R179 HydrophobicContact CD2-CG 4.35Å; Y169-R179 HydrophobicContact CE2-CB 4.49Å; Y169-R179 HydrophobicContact CE2-CG 3.98Å; T173-R179 PolarHBondContact OG1-NH2 2.97Å; R179-E182 VanDerWaalsContact CD-OE2 3.22Å; R179-E182 WeakPolarHBondContact CD-OE2 3.38Å; R179-E182 IonicContact CZ-OE2 3.09Å; R179-E182 IonicContact NE-OE2 2.77Å; R179-E182 IonicContact NH1-OE1 3.42Å; R179-E182 IonicContact NH1-OE2 3.69Å; R179-E182 PolarHBondContact NH1-OE2 3.37Å; R179-V183 VanDerWaalsContact O-CG2 3.29Å; R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.35Å; R179-V183 VanDerWaalsContact O-N 3.17Å; R179-E331 IonicContact NH1-OE2 3.96Å; R179-E331 PolarHBondContact NH1-OE2 3.48Å
180	D	87.3	Confident	86.1	Confident	115 Å²	115	40.9 Å²	40.9	62%	0.615	20%	0.203	S	C	*	.	H	α-helix	trans	-76.9	-38.7	176.3	-74.2	-16.8	0	0	0	110.9	D178 K184	D178-D180 VanDerWaalsContact C-N 3.3Å; D178-D180 PolarHBondContact O-N 3.33Å; D178-D180 WeakPolarHBondContact OD1-CB 3.4Å; D178-D180 PolarHBondContact OD1-N 3.1Å; D180-K184 WeakPolarHBondContact O-CD 3.38Å; D180-K184 VanDerWaalsContact O-CG 3.27Å; D180-K184 WeakPolarHBondContact O-CG 3.33Å; D180-K184 PolarHBondContact O-N 3.39Å
181	E	87.4	Confident	86.8	Confident	49 Å²	49	42.3 Å²	42.3	23%	0.229	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-45.7	170.9	-72.5	-167.2	163.1	0	0	111.1	D178 V183 K184 S185	D178-E181 HydrophobicContact CB-CB 4.01Å; D178-E181 HydrophobicContact CB-CG 4.07Å; D178-E181 PolarHBondContact O-N 3.24Å; D178-E181 PolarHBondContact OD1-N 3.49Å; E181-V183 PolarHBondContact O-N 2.66Å; E181-K184 PolarHBondContact O-N 3.05Å; E181-S185 PolarHBondContact O-N 2.66Å; E181-S185 PolarHBondContact O-OG 3.12Å
182	E	91.6	Very high	87.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-52.2	177.8	170.6	171.8	-137.4	0	0	112	R167 D178 R179 K184 S185 F186 E331	R167-E182 IonicContact CZ-OE1 3.73Å; R167-E182 VanDerWaalsContact CZ-OE1 3.31Å; R167-E182 IonicContact NH1-OE1 2.75Å; R167-E182 PolarHBondContact NH1-OE1 3.31Å; R167-E182 VanDerWaalsContact NH1-OE1 3.09Å; R167-E182 IonicContact NH2-OE1 3.49Å; R167-E182 PolarHBondContact NH2-OE1 3.06Å; R167-E182 IonicContact NH2-OE2 2.62Å; R167-E182 PolarHBondContact NH2-OE2 3.03Å; D178-E182 WeakPolarHBondContact O-CB 3.17Å; D178-E182 PolarHBondContact O-N 3.39Å; R179-E182 VanDerWaalsContact CD-OE2 3.22Å; R179-E182 WeakPolarHBondContact CD-OE2 3.38Å; R179-E182 IonicContact CZ-OE2 3.09Å; R179-E182 IonicContact NE-OE2 2.77Å; R179-E182 IonicContact NH1-OE1 3.42Å; R179-E182 IonicContact NH1-OE2 3.69Å; R179-E182 PolarHBondContact NH1-OE2 3.37Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.38Å; E182-S185 PolarHBondContact O-N 2.91Å; E182-F186 WeakPolarHBondContact O-CB 3.19Å; E182-F186 PolarHBondContact O-N 3.28Å; E182-E331 WeakPolarHBondContact OE1-CA 3.31Å; E182-E331 WeakPolarHBondContact OE1-CB 3.45Å
183	V	91.6	Very high	88.6	Confident	29 Å²	29	38.2 Å²	38.2	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-37.5	-179.4	172.3	0	0	0	0	111.2	R179 E181 R187 L198 T201 L206	R179-V183 VanDerWaalsContact O-CG2 3.29Å; R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.35Å; R179-V183 VanDerWaalsContact O-N 3.17Å; E181-V183 PolarHBondContact O-N 2.66Å; V183-R187 VanDerWaalsContact O-CG 3.26Å; V183-R187 WeakPolarHBondContact O-CG 3.48Å; V183-R187 PolarHBondContact O-N 3.41Å; V183-L198 HydrophobicContact CG1-CD2 4.43Å; V183-T201 HydrophobicContact CG1-CG2 4.16Å; V183-T201 HydrophobicContact CG2-CG2 3.69Å; V183-L206 HydrophobicContact CG2-CD2 4.3Å
184	K	91.1	Very high	89.5	Confident	51 Å²	51	38 Å²	38	22%	0.222	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-48.1	175.8	-71	167.5	-170.1	160.4	0	111.4	I94 V96 D180 E181 E182 F186 R187 V188	I94-K184 HydrophobicContact CB-CB 4.1Å; I94-K184 HydrophobicContact CG2-CB 4.03Å; V96-K184 HydrophobicContact CG2-CB 4.24Å; V96-K184 HydrophobicContact CG2-CG 4.29Å; D180-K184 WeakPolarHBondContact O-CD 3.38Å; D180-K184 VanDerWaalsContact O-CG 3.27Å; D180-K184 WeakPolarHBondContact O-CG 3.33Å; D180-K184 PolarHBondContact O-N 3.39Å; E181-K184 PolarHBondContact O-N 3.05Å; E182-K184 VanDerWaalsContact C-N 3.29Å; E182-K184 PolarHBondContact O-N 3.38Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.04Å; K184-R187 PolarHBondContact O-N 3.43Å; K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 3.23Å
185	S	91.8	Very high	90.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-54.1	-50.8	175.3	-69.7	0	0	0	0	110.9	I94 E181 E182 R187 V188 L189 S333	I94-S185 WeakPolarHBondContact CD1-OG 3.39Å; E181-S185 PolarHBondContact O-N 2.66Å; E181-S185 PolarHBondContact O-OG 3.12Å; E182-S185 PolarHBondContact O-N 2.91Å; S185-R187 VanDerWaalsContact C-N 3.34Å; S185-R187 PolarHBondContact O-N 3.31Å; S185-V188 PolarHBondContact O-N 3.39Å; S185-L189 WeakPolarHBondContact O-CD1 3.44Å; S185-L189 VanDerWaalsContact O-CG 3.25Å; S185-L189 WeakPolarHBondContact O-CG 3.35Å; S185-L189 PolarHBondContact O-N 3.06Å; S185-S333 PolarHBondContact OG-O 3.31Å
186	F	93.6	Very high	91	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-48.7	179.5	-156.4	-51.8	0	0	0	111	E182 K184 V188 L189 Q190 A195 P196 L198 Y208 Y330	E182-F186 WeakPolarHBondContact O-CB 3.19Å; E182-F186 PolarHBondContact O-N 3.28Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.04Å; F186-V188 PolarHBondContact O-N 2.89Å; F186-L189 PolarHBondContact O-N 3.19Å; F186-Q190 WeakPolarHBondContact O-CB 3.33Å; F186-Q190 PolarHBondContact O-N 3.2Å; F186-A195 HydrophobicContact CD1-CB 4.05Å; F186-A195 HydrophobicContact CE1-CB 3.94Å; F186-P196 HydrophobicContact CE1-CG 4.35Å; F186-P196 WeakPolarHBondContact CE1-O 3.3Å; F186-P196 HydrophobicContact CZ-CG 4Å; F186-L198 HydrophobicContact CB-CD2 4.17Å; F186-L198 HydrophobicContact CD1-CB 3.8Å; F186-L198 HydrophobicContact CD1-CD2 4.06Å; F186-L198 HydrophobicContact CD1-CG 4.36Å; F186-L198 HydrophobicContact CD2-CD1 4.5Å; F186-L198 HydrophobicContact CE1-CB 3.71Å; F186-L198 HydrophobicContact CE1-CD1 4.42Å; F186-L198 HydrophobicContact CE1-CG 4.47Å; F186-L198 HydrophobicContact CE2-CD1 4.34Å; F186-L198 HydrophobicContact CG-CD2 4.02Å; F186-L198 HydrophobicContact CZ-CB 4.36Å; F186-L198 HydrophobicContact CZ-CD1 4.3Å; F186-Y208 HydrophobicContact CE2-CD1 4.46Å; F186-Y208 HydrophobicContact CE2-CG 4.33Å; F186-Y208 HydrophobicContact CZ-CD2 4.26Å; F186-Y208 AromaticContact CZ-CG 4Å; F186-Y208 HydrophobicContact CZ-CG 4Å; F186-Y330 HydrophobicContact CD2-CD2 4.01Å; F186-Y330 HydrophobicContact CE2-CD2 4.06Å; F186-Y330 HydrophobicContact CG-CD2 4.4Å; F186-Y330 HydrophobicContact CZ-CD2 4.47Å
187	R	92.6	Very high	91.5	Very high	60 Å²	60	34.6 Å²	34.6	23%	0.226	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-39.6	179.7	-71.9	-179.9	75.3	-155.7	0.2	112.9	V96 P101 V103 V183 K184 S185 A191 L198	V96-R187 HydrophobicContact CG1-CB 3.98Å; V96-R187 HydrophobicContact CG2-CB 4.04Å; P101-R187 PolarHBondContact O-NE 2.82Å; P101-R187 PolarHBondContact O-NH2 2.97Å; V103-R187 HydrophobicContact CG2-CG 3.75Å; V183-R187 VanDerWaalsContact O-CG 3.26Å; V183-R187 WeakPolarHBondContact O-CG 3.48Å; V183-R187 PolarHBondContact O-N 3.41Å; K184-R187 PolarHBondContact O-N 3.43Å; S185-R187 VanDerWaalsContact C-N 3.34Å; S185-R187 PolarHBondContact O-N 3.31Å; R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.22Å; R187-L198 HydrophobicContact CG-CD2 4.22Å
188	V	92.6	Very high	92	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-46.1	175.2	173.8	0	0	0	0	110.8	I94 H95 V96 K184 S185 F186 A191 H192 I240 L306	I94-V188 HydrophobicContact CG2-CB 4.39Å; I94-V188 HydrophobicContact CG2-CG2 3.51Å; H95-V188 WeakPolarHBondContact O-CG2 3.34Å; V96-V188 HydrophobicContact CG2-CG2 4.32Å; K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 3.23Å; S185-V188 PolarHBondContact O-N 3.39Å; F186-V188 PolarHBondContact O-N 2.89Å; V188-A191 PolarHBondContact O-N 2.93Å; V188-H192 PolarHBondContact O-N 2.87Å; V188-H192 PolarHBondContact O-ND1 2.93Å; V188-I240 HydrophobicContact CG1-CG2 3.86Å; V188-L306 HydrophobicContact CG1-CD2 3.83Å
189	L	94.3	Very high	92.4	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-42.3	-179.7	-67.6	164.7	0	0	0	111.3	S185 F186 A191 H192 G193 C194 A195 I237 I240 L306 Y330	S185-L189 WeakPolarHBondContact O-CD1 3.44Å; S185-L189 VanDerWaalsContact O-CG 3.25Å; S185-L189 WeakPolarHBondContact O-CG 3.35Å; S185-L189 PolarHBondContact O-N 3.06Å; F186-L189 PolarHBondContact O-N 3.19Å; L189-A191 PolarHBondContact O-N 3.22Å; L189-H192 CarbonylContact O-C 3.58Å; L189-H192 PolarHBondContact O-N 2.94Å; L189-H192 VanDerWaalsContact O-N 3.15Å; L189-G193 PolarHBondContact O-N 3.08Å; L189-C194 HydrophobicContact CB-CB 4.19Å; L189-C194 HydrophobicContact CD2-CB 3.99Å; L189-C194 WeakPolarHBondContact O-CA 3.48Å; L189-C194 WeakPolarHBondContact O-CB 3.31Å; L189-C194 PolarHBondContact O-N 3.24Å; L189-A195 HydrophobicContact CB-CB 3.61Å; L189-A195 PolarHBondContact O-N 2.97Å; L189-I237 HydrophobicContact CD2-CB 4.4Å; L189-I237 HydrophobicContact CD2-CD1 4.19Å; L189-I237 HydrophobicContact CD2-CG1 3.94Å; L189-I237 HydrophobicContact CD2-CG2 3.73Å; L189-I240 HydrophobicContact CD2-CD1 4.03Å; L189-L306 HydrophobicContact CD2-CD2 3.96Å; L189-L306 HydrophobicContact CG-CD2 4.29Å; L189-Y330 HydrophobicContact CD1-CD1 3.25Å; L189-Y330 HydrophobicContact CD1-CD2 4.49Å; L189-Y330 HydrophobicContact CD1-CE1 3.58Å; L189-Y330 HydrophobicContact CD1-CG 3.74Å
190	Q	93.7	Very high	92.8	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175	-179.4	-172.6	-31.5	0	0	111.1	F186 H192 G193 A195 P196 L198	F186-Q190 WeakPolarHBondContact O-CB 3.33Å; F186-Q190 PolarHBondContact O-N 3.2Å; Q190-H192 PolarHBondContact O-N 2.84Å; Q190-H192 VanDerWaalsContact O-N 3.11Å; Q190-G193 PolarHBondContact O-N 2.72Å; Q190-A195 HydrophobicContact CB-CB 4.45Å; Q190-P196 WeakPolarHBondContact CG-O 3.5Å; Q190-L198 VanDerWaalsContact OE1-CB 3.23Å
191	A	92.1	Very high	93.2	Very high	46 Å²	46	25.7 Å²	25.7	38%	0.38	14%	0.141	S	C	.	.	H	α-helix	trans	-60.8	-22.2	178.5	0	0	0	0	0	113.4	P97 R187 V188 L189	P97-A191 HydrophobicContact CG-CB 4.22Å; R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.22Å; V188-A191 PolarHBondContact O-N 2.93Å; L189-A191 PolarHBondContact O-N 3.22Å
192	H	92.6	Very high	93.6	Very high	61 Å²	61	23.6 Å²	23.6	28%	0.282	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	11.6	177	-67	84.4	0	0	0	113.2	V188 L189 Q190 C194 K236 I240 H243	V188-H192 PolarHBondContact O-N 2.87Å; V188-H192 PolarHBondContact O-ND1 2.93Å; L189-H192 CarbonylContact O-C 3.58Å; L189-H192 PolarHBondContact O-N 2.94Å; L189-H192 VanDerWaalsContact O-N 3.15Å; Q190-H192 PolarHBondContact O-N 2.84Å; Q190-H192 VanDerWaalsContact O-N 3.11Å; H192-C194 PolarHBondContact O-N 3.36Å; H192-C194 PolarHBondContact O-SG 3.39Å; H192-K236 WeakPolarHBondContact O-CE 3.21Å; H192-K236 PolarHBondContact O-NZ 3.15Å; H192-I240 HydrophobicContact CB-CD1 3.7Å; H192-I240 HydrophobicContact CB-CG1 4.05Å; H192-H243 AromaticContact CE1-NE2 3.46Å; H192-H243 PolarHBondContact CE1-NE2 2.91Å; H192-H243 AromaticContact NE2-NE2 3.55Å
193	G	92.7	Very high	93.7	Very high	43 Å²	43	27 Å²	27	44%	0.443	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	36.6	-177.9	0	0	0	0	0	112.6	L189 Q190 K236	L189-G193 PolarHBondContact O-N 3.08Å; Q190-G193 PolarHBondContact O-N 2.72Å; G193-K236 PolarHBondContact O-NZ 3.31Å
194	C	95	Very high	93.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.15	C	C	.	.	S	Bend	trans	-109	-15.1	177.2	-62.9	0	0	0	0	112.7	L189 H192 I237 Y330	L189-C194 HydrophobicContact CB-CB 4.19Å; L189-C194 HydrophobicContact CD2-CB 3.99Å; L189-C194 WeakPolarHBondContact O-CA 3.48Å; L189-C194 WeakPolarHBondContact O-CB 3.31Å; L189-C194 PolarHBondContact O-N 3.24Å; H192-C194 PolarHBondContact O-N 3.36Å; H192-C194 PolarHBondContact O-SG 3.39Å; C194-I237 HydrophobicContact CB-CD1 4.38Å; C194-I237 HydrophobicContact CB-CG1 3.81Å; C194-Y330 PolarHBondContact O-OH 3.04Å
195	A	94.6	Very high	93.8	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	14%	0.139	C	C	.	.	S	Bend	trans	-129.2	156.4	174.4	0	0	0	0	0	110.8	F186 L189 Q190 Y330	F186-A195 HydrophobicContact CD1-CB 4.05Å; F186-A195 HydrophobicContact CE1-CB 3.94Å; L189-A195 HydrophobicContact CB-CB 3.61Å; L189-A195 PolarHBondContact O-N 2.97Å; Q190-A195 HydrophobicContact CB-CB 4.45Å; A195-Y330 HydrophobicContact CB-CD2 4.17Å; A195-Y330 HydrophobicContact CB-CE2 3.49Å; A195-Y330 VanDerWaalsContact CB-CE2 3.49Å
196	P	93.8	Very high	94	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.026	14%	0.139	C	C	.	.			trans	-55.7	170.8	171.7	12	-22.6	0	0	0	113.2	F186 Q190 L198 Y208 E209 I211	F186-P196 HydrophobicContact CE1-CG 4.35Å; F186-P196 WeakPolarHBondContact CE1-O 3.3Å; F186-P196 HydrophobicContact CZ-CG 4Å; Q190-P196 WeakPolarHBondContact CG-O 3.5Å; P196-L198 PolarHBondContact O-N 2.9Å; P196-Y208 HydrophobicContact CG-CD2 4.12Å; P196-E209 HydrophobicContact CB-CB 3.83Å; P196-E209 HydrophobicContact CB-CG 4.41Å; P196-I211 HydrophobicContact CB-CD1 3.69Å; P196-I211 HydrophobicContact CB-CG1 4.13Å; P196-I211 HydrophobicContact CG-CD1 4.18Å; P196-I211 HydrophobicContact CG-CG1 4.11Å
197	Q	93.8	Very high	94.1	Very high	95 Å²	95	24.7 Å²	24.7	44%	0.444	14%	0.138	S	C	.	.			trans	-66.5	118.9	168.7	-172.1	173.1	6.8	0	0	111.5	Y199 Y208 E209	Q197-Y199 HydrophobicContact CB-CE1 4.12Å; Q197-Y199 HydrophobicContact CG-CD1 3.88Å; Q197-Y199 HydrophobicContact CG-CE1 3.8Å; Q197-Y199 PolarHBondContact O-N 3.18Å; Q197-Y208 CarbonylContact O-C 3.54Å; Q197-Y208 VanDerWaalsContact O-CA 3.23Å; Q197-Y208 WeakPolarHBondContact O-CA 3.5Å; Q197-Y208 WeakPolarHBondContact O-CB 3.48Å; Q197-E209 HydrophobicContact CB-CB 4.06Å; Q197-E209 PolarHBondContact N-OE2 2.98Å; Q197-E209 PolarHBondContact O-N 3.21Å
198	L	95.1	Very high	94.3	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.9	167.3	-174.6	58.5	0	0	0	109.2	V103 V183 F186 R187 Q190 P196 L206	V103-L198 HydrophobicContact CB-CD2 4.46Å; V103-L198 HydrophobicContact CG1-CD2 3.87Å; V103-L198 HydrophobicContact CG1-CG 3.8Å; V103-L198 HydrophobicContact CG2-CB 4.29Å; V103-L198 HydrophobicContact CG2-CD2 3.91Å; V103-L198 HydrophobicContact CG2-CG 4.06Å; V183-L198 HydrophobicContact CG1-CD2 4.43Å; F186-L198 HydrophobicContact CB-CD2 4.17Å; F186-L198 HydrophobicContact CD1-CB 3.8Å; F186-L198 HydrophobicContact CD1-CD2 4.06Å; F186-L198 HydrophobicContact CD1-CG 4.36Å; F186-L198 HydrophobicContact CD2-CD1 4.5Å; F186-L198 HydrophobicContact CE1-CB 3.71Å; F186-L198 HydrophobicContact CE1-CD1 4.42Å; F186-L198 HydrophobicContact CE1-CG 4.47Å; F186-L198 HydrophobicContact CE2-CD1 4.34Å; F186-L198 HydrophobicContact CG-CD2 4.02Å; F186-L198 HydrophobicContact CZ-CB 4.36Å; F186-L198 HydrophobicContact CZ-CD1 4.3Å; R187-L198 HydrophobicContact CG-CD2 4.22Å; Q190-L198 VanDerWaalsContact OE1-CB 3.23Å; P196-L198 PolarHBondContact O-N 2.9Å; L198-L206 HydrophobicContact CD1-CB 4.13Å; L198-L206 HydrophobicContact CD1-CD1 4.43Å
199	Y	95.6	Very high	94.4	Very high	27 Å²	27	25.8 Å²	25.8	11%	0.106	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-46.6	-176	-62.8	-52.7	0	0	0	112.6	P104 R130 V164 Q197 C207 Y208 E209	P104-Y199 WeakPolarHBondContact CD-O 3.45Å; R130-Y199 PolarHBondContact NH2-OH 3.3Å; V164-Y199 HydrophobicContact CG1-CD2 4.15Å; V164-Y199 HydrophobicContact CG1-CE2 4.41Å; V164-Y199 HydrophobicContact CG2-CD2 4.45Å; V164-Y199 HydrophobicContact CG2-CE2 4.09Å; Q197-Y199 HydrophobicContact CB-CE1 4.12Å; Q197-Y199 HydrophobicContact CG-CD1 3.88Å; Q197-Y199 HydrophobicContact CG-CE1 3.8Å; Q197-Y199 PolarHBondContact O-N 3.18Å; Y199-C207 WeakPolarHBondContact CA-O 3.25Å; Y199-C207 WeakPolarHBondContact CB-O 3.44Å; Y199-C207 PolarHBondContact N-O 3.16Å; Y199-Y208 VanDerWaalsContact CD2-C 3.49Å; Y199-Y208 VanDerWaalsContact CE2-C 3.43Å; Y199-E209 HydrophobicContact CE2-CB 4.1Å
200	C	95.9	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	165.3	177.5	71.9	0	0	0	0	112.1	P104 L106 L129 L206 C207	P104-C200 HydrophobicContact CG-CB 3.91Å; P104-C200 WeakPolarHBondContact O-CA 3.32Å; P104-C200 WeakPolarHBondContact O-CB 3.23Å; L106-C200 HydrophobicContact CD1-CB 4.16Å; L106-C200 HydrophobicContact CG-CB 4.13Å; L129-C200 HydrophobicContact CD2-CB 4.19Å; C200-L206 WeakPolarHBondContact O-CA 3.42Å; C200-C207 PolarHBondContact N-O 3.5Å; C200-C207 PolarHBondContact O-N 3.33Å
201	T	96.4	Very high	94.3	Very high	17 Å²	17	27 Å²	27	10%	0.104	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	156.2	161	57.8	0	0	0	0	109.4	V103 P104 K105 L106 V183 L206	V103-T201 HydrophobicContact CG1-CG2 4.08Å; P104-T201 PolarHBondContact O-N 3.21Å; P104-T201 PolarHBondContact O-OG1 3.11Å; K105-T201 CarbonylContact C-O 3.53Å; K105-T201 WeakPolarHBondContact CA-O 3.25Å; K105-T201 WeakPolarHBondContact CA-OG1 3.46Å; L106-T201 PolarHBondContact N-O 3.19Å; V183-T201 HydrophobicContact CG1-CG2 4.16Å; V183-T201 HydrophobicContact CG2-CG2 3.69Å; T201-L206 HydrophobicContact CG2-CB 4.32Å
202	F	95.6	Very high	94.3	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	179.6	171.9	59.3	-93.4	0	0	0	110.3	L106 V108 V110 L125 V166 R167 I168 N204 G205	L106-F202 HydrophobicContact CB-CB 4.46Å; L106-F202 WeakPolarHBondContact O-CA 3.28Å; V108-F202 WeakPolarHBondContact O-CB 3.45Å; V110-F202 HydrophobicContact CB-CE2 4.28Å; V110-F202 HydrophobicContact CG2-CD2 4.23Å; V110-F202 HydrophobicContact CG2-CE2 3.77Å; V110-F202 HydrophobicContact CG2-CZ 4.19Å; L125-F202 HydrophobicContact CD1-CD1 3.8Å; L125-F202 HydrophobicContact CD1-CE1 3.75Å; L125-F202 HydrophobicContact CD1-CE2 4.49Å; L125-F202 HydrophobicContact CD1-CG 4.2Å; L125-F202 HydrophobicContact CD1-CZ 4.12Å; L125-F202 HydrophobicContact CD2-CB 3.86Å; L125-F202 HydrophobicContact CD2-CD1 3.89Å; L125-F202 HydrophobicContact CD2-CG 3.97Å; V166-F202 HydrophobicContact CG1-CE1 4.04Å; V166-F202 HydrophobicContact CG1-CZ 3.9Å; R167-F202 WeakPolarHBondContact O-CZ 3.45Å; I168-F202 HydrophobicContact CG1-CZ 4.45Å; F202-N204 VanDerWaalsContact CD2-OD1 3.32Å; F202-N204 WeakPolarHBondContact CD2-OD1 3.23Å; F202-N204 VanDerWaalsContact CE2-OD1 3.29Å; F202-N204 WeakPolarHBondContact CE2-OD1 3.13Å; F202-N204 PolarHBondContact O-N 3.14Å; F202-G205 VanDerWaalsContact CE2-CA 3.43Å; F202-G205 VanDerWaalsContact CE2-N 3.33Å; F202-G205 PolarHBondContact N-O 2.92Å; F202-G205 PolarHBondContact O-N 2.72Å
203	N	93.3	Very high	94.3	Very high	71 Å²	71	27.8 Å²	27.8	38%	0.38	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	-166.1	-68.5	-23.3	0	0	0	113.8	N107 V108 T109	N107-N203 PolarHBondContact OD1-ND2 2.87Å; N107-N203 PolarHBondContact OD1-OD1 3.13Å; V108-N203 VanDerWaalsContact O-CB 3.29Å; V108-N203 WeakPolarHBondContact O-CB 3.34Å; V108-N203 PolarHBondContact O-N 3.48Å; T109-N203 WeakPolarHBondContact OG1-CB 3.21Å; T109-N203 PolarHBondContact OG1-ND2 2.93Å; T109-N203 VanDerWaalsContact OG1-ND2 3.07Å
204	N	92.3	Very high	94.3	Very high	36 Å²	36	32.4 Å²	32.4	19%	0.193	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	32	-177.3	67.2	-38.7	0	0	0	113.2	T109 V110 Y169 F202	T109-N204 WeakPolarHBondContact CA-OD1 3.43Å; V110-N204 PolarHBondContact N-OD1 2.81Å; V110-N204 PolarHBondContact O-ND2 3.17Å; Y169-N204 WeakPolarHBondContact CD2-O 3.43Å; Y169-N204 PolarHBondContact N-O 2.94Å; F202-N204 VanDerWaalsContact CD2-OD1 3.32Å; F202-N204 WeakPolarHBondContact CD2-OD1 3.23Å; F202-N204 VanDerWaalsContact CE2-OD1 3.29Å; F202-N204 WeakPolarHBondContact CE2-OD1 3.13Å; F202-N204 PolarHBondContact O-N 3.14Å
205	G	93.4	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-163.7	178.7	0	0	0	0	0	114.7	R167 Y169 F202	R167-G205 CarbonylContact O-C 3.57Å; R167-G205 WeakPolarHBondContact O-CA 3.44Å; Y169-G205 VanDerWaalsContact CE2-N 3.35Å; F202-G205 VanDerWaalsContact CE2-CA 3.43Å; F202-G205 VanDerWaalsContact CE2-N 3.33Å; F202-G205 PolarHBondContact N-O 2.92Å; F202-G205 PolarHBondContact O-N 2.72Å
206	L	95.3	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.9	-180	42.1	84.9	0	0	0	112.8	R167 Y169 V183 L198 C200 T201 Y208	R167-L206 HydrophobicContact CB-CD1 4.31Å; R167-L206 PolarHBondContact N-O 2.77Å; R167-L206 PolarHBondContact O-N 2.98Å; Y169-L206 HydrophobicContact CE1-CD2 4.1Å; Y169-L206 HydrophobicContact CE1-CG 4.13Å; Y169-L206 WeakPolarHBondContact OH-CD2 3.4Å; V183-L206 HydrophobicContact CG2-CD2 4.3Å; L198-L206 HydrophobicContact CD1-CB 4.13Å; L198-L206 HydrophobicContact CD1-CD1 4.43Å; C200-L206 WeakPolarHBondContact O-CA 3.42Å; T201-L206 HydrophobicContact CG2-CB 4.32Å; L206-Y208 HydrophobicContact CD1-CD1 3.47Å; L206-Y208 VanDerWaalsContact CD1-CD1 3.47Å; L206-Y208 HydrophobicContact CD1-CE1 3.53Å
207	C	96.2	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.6	178.4	-61.3	0	0	0	0	110.6	L129 V164 L165 Y199 C200	L129-C207 HydrophobicContact CD1-CB 3.64Å; V164-C207 HydrophobicContact CG1-CB 4.2Å; L165-C207 CarbonylContact O-C 3.51Å; L165-C207 WeakPolarHBondContact O-CA 3.35Å; Y199-C207 WeakPolarHBondContact CA-O 3.25Å; Y199-C207 WeakPolarHBondContact CB-O 3.44Å; Y199-C207 PolarHBondContact N-O 3.16Å; C200-C207 PolarHBondContact N-O 3.5Å; C200-C207 PolarHBondContact O-N 3.33Å
208	Y	95.6	Very high	94.1	Very high	13 Å²	13	33 Å²	33	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	167.5	-177.6	56.5	-83.9	0	0	0	112	L151 L165 R167 F186 P196 Q197 Y199 L206	L151-Y208 HydrophobicContact CD1-CE1 4.47Å; L151-Y208 WeakPolarHBondContact CD1-OH 3.45Å; L165-Y208 HydrophobicContact CB-CD2 4.25Å; L165-Y208 HydrophobicContact CB-CE1 4.42Å; L165-Y208 HydrophobicContact CB-CE2 4.1Å; L165-Y208 HydrophobicContact CB-CG 4.48Å; L165-Y208 WeakPolarHBondContact CB-O 3.36Å; L165-Y208 HydrophobicContact CD1-CD2 3.9Å; L165-Y208 HydrophobicContact CD1-CE2 3.39Å; L165-Y208 HydrophobicContact CG-CE2 4.41Å; L165-Y208 PolarHBondContact N-O 3.47Å; L165-Y208 PolarHBondContact O-N 2.92Å; R167-Y208 HydrophobicContact CB-CE1 3.72Å; F186-Y208 HydrophobicContact CE2-CD1 4.46Å; F186-Y208 HydrophobicContact CE2-CG 4.33Å; F186-Y208 HydrophobicContact CZ-CD2 4.26Å; F186-Y208 AromaticContact CZ-CG 4Å; F186-Y208 HydrophobicContact CZ-CG 4Å; P196-Y208 HydrophobicContact CG-CD2 4.12Å; Q197-Y208 CarbonylContact O-C 3.54Å; Q197-Y208 VanDerWaalsContact O-CA 3.23Å; Q197-Y208 WeakPolarHBondContact O-CA 3.5Å; Q197-Y208 WeakPolarHBondContact O-CB 3.48Å; Y199-Y208 VanDerWaalsContact CD2-C 3.49Å; Y199-Y208 VanDerWaalsContact CE2-C 3.43Å; L206-Y208 HydrophobicContact CD1-CD1 3.47Å; L206-Y208 VanDerWaalsContact CD1-CD1 3.47Å; L206-Y208 HydrophobicContact CD1-CE1 3.53Å
209	E	95	Very high	93.8	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.6	179.2	174.5	-177	-154.3	0	0	112	P196 Q197 Y199	P196-E209 HydrophobicContact CB-CB 3.83Å; P196-E209 HydrophobicContact CB-CG 4.41Å; Q197-E209 HydrophobicContact CB-CB 4.06Å; Q197-E209 PolarHBondContact N-OE2 2.98Å; Q197-E209 PolarHBondContact O-N 3.21Å; Y199-E209 HydrophobicContact CE2-CB 4.1Å
210	F	93.6	Very high	93.6	Very high	42 Å²	42	41.1 Å²	41.1	18%	0.184	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-77.4	129.7	169.7	178.6	-104.2	0	0	0	111	F143 V163 L165 Q212	F143-F210 HydrophobicContact CE1-CE2 4.43Å; F143-F210 HydrophobicContact CZ-CD2 4.46Å; F143-F210 AromaticContact CZ-CE2 3.95Å; F143-F210 HydrophobicContact CZ-CE2 3.95Å; V163-F210 HydrophobicContact CB-CB 3.61Å; V163-F210 HydrophobicContact CB-CD1 4.3Å; V163-F210 HydrophobicContact CB-CG 4.08Å; V163-F210 HydrophobicContact CG1-CB 3.9Å; V163-F210 HydrophobicContact CG1-CG 4.21Å; V163-F210 HydrophobicContact CG2-CB 4.46Å; V163-F210 HydrophobicContact CG2-CD1 4.26Å; V163-F210 PolarHBondContact O-N 3.43Å; L165-F210 HydrophobicContact CD1-CB 4.19Å; L165-F210 HydrophobicContact CD1-CD2 4.01Å; L165-F210 HydrophobicContact CD2-CD2 3.94Å; L165-F210 HydrophobicContact CG-CB 4.02Å; L165-F210 HydrophobicContact CG-CD2 4.13Å; F210-Q212 VanDerWaalsContact CD1-NE2 3.3Å
211	I	92.8	Very high	93.5	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.077	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-90.5	126.2	175.3	-60.9	-53.2	0	0	0	110.1	P196 I317 Q326 I328	P196-I211 HydrophobicContact CB-CD1 3.69Å; P196-I211 HydrophobicContact CB-CG1 4.13Å; P196-I211 HydrophobicContact CG-CD1 4.18Å; P196-I211 HydrophobicContact CG-CG1 4.11Å; I211-I317 HydrophobicContact CG2-CB 4.01Å; I211-I317 HydrophobicContact CG2-CG1 4.38Å; I211-I317 HydrophobicContact CG2-CG2 3.81Å; I211-Q326 HydrophobicContact CG2-CB 4.09Å; I211-I328 HydrophobicContact CG1-CG2 4.19Å
212	Q	91.8	Very high	93.2	Very high	87 Å²	87	42.7 Å²	42.7	41%	0.407	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-74.7	132.1	175.8	-62.4	-63.9	-33.5	0	0	111.2	M160 F210 N319	M160-Q212 PolarHBondContact O-NE2 3.03Å; F210-Q212 VanDerWaalsContact CD1-NE2 3.3Å; Q212-N319 PolarHBondContact O-ND2 3.37Å
213	G	93.1	Very high	93.2	Very high	38 Å²	38	46 Å²	46	39%	0.392	24%	0.243	S	C	.	.	S	Bend	trans	147.8	-169.8	173.9	0	0	0	0	0	111.6	Y318	G213-Y318 CarbonylContact C-O 3.54Å; G213-Y318 VanDerWaalsContact CA-O 3.24Å; G213-Y318 WeakPolarHBondContact CA-O 3.4Å
214	E	93.3	Very high	93.2	Very high	140 Å²	140	45.3 Å²	45.3	65%	0.654	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.6	177.7	-63.6	-171.8	168.8	0	0	110	L216 Y318	E214-L216 PolarHBondContact O-N 3.23Å; E214-Y318 PolarHBondContact N-O 2.89Å; E214-Y318 PolarHBondContact O-N 2.82Å
215	A	94	Very high	93.4	Very high	36 Å²	36	46.7 Å²	46.7	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.6	171.9	0	0	0	0	0	109.8	K314 I316 I317	A215-K314 HydrophobicContact CB-CD 4.06Å; A215-I316 WeakPolarHBondContact CA-O 3.36Å; A215-I317 HydrophobicContact CB-CD1 3.79Å
216	L	94.9	Very high	93.6	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.262	C	S	.	.			trans	-71.2	167.7	-175.2	-63.4	-171.4	0	0	0	112.9	E214 H220 V221 I226 I230 C313 K314 I316 Y318	E214-L216 PolarHBondContact O-N 3.23Å; L216-H220 HydrophobicContact CB-CB 4.18Å; L216-H220 HydrophobicContact CD1-CB 4.43Å; L216-H220 HydrophobicContact CD2-CB 3.7Å; L216-H220 HydrophobicContact CG-CB 4.33Å; L216-V221 HydrophobicContact CB-CG1 4.48Å; L216-V221 HydrophobicContact CD1-CG1 4.14Å; L216-I226 HydrophobicContact CD1-CG2 3.61Å; L216-I230 HydrophobicContact CD1-CD1 3.88Å; L216-C313 HydrophobicContact CB-CB 4.49Å; L216-C313 WeakPolarHBondContact CB-O 3.26Å; L216-C313 PolarHBondContact N-O 2.64Å; L216-C313 CarbonylContact O-C 3.59Å; L216-K314 WeakPolarHBondContact O-CD 3.42Å; L216-I316 HydrophobicContact CB-CB 4.42Å; L216-I316 HydrophobicContact CD1-CB 4Å; L216-I316 HydrophobicContact CD1-CG2 3.56Å; L216-I316 HydrophobicContact CG-CB 4.2Å; L216-I316 HydrophobicContact CG-CG2 4.06Å; L216-I316 PolarHBondContact N-O 3.4Å; L216-Y318 VanDerWaalsContact CD2-CB 3.49Å; L216-Y318 HydrophobicContact CD2-CG 4.33Å
217	D	92.1	Very high	93.6	Very high	50 Å²	50	47.3 Å²	47.3	27%	0.267	26%	0.262	S	S	.	.			trans	-134.1	163.4	177.2	-74.3	-51.7	0	0	0	107.6	K219 H220 V221 K314	D217-K219 HydrophobicContact CB-CG 4.12Å; D217-K219 PolarHBondContact O-N 3.4Å; D217-H220 PolarHBondContact N-ND1 3.34Å; D217-H220 WeakPolarHBondContact O-CB 3.42Å; D217-H220 PolarHBondContact O-N 3.28Å; D217-H220 IonicContact OD2-CE1 3.47Å; D217-H220 IonicContact OD2-ND1 3.31Å; D217-V221 PolarHBondContact O-N 3.14Å; D217-K314 WeakPolarHBondContact OD1-CE 3.23Å; D217-K314 IonicContact OD1-NZ 2.91Å; D217-K314 PolarHBondContact OD1-NZ 2.88Å; D217-K314 IonicContact OD2-NZ 2.7Å
218	P	91.1	Very high	93.7	Very high	33 Å²	33	53 Å²	53	21%	0.214	28%	0.284	C	S	.	.	H	α-helix	trans	-46	-39.8	176	-36.2	40.3	0	0	0	115.2	H220 V221 F349 L359	P218-H220 VanDerWaalsContact C-N 3.25Å; P218-H220 PolarHBondContact O-N 3.15Å; P218-V221 WeakPolarHBondContact O-CG2 3.36Å; P218-V221 PolarHBondContact O-N 3.16Å; P218-F349 WeakPolarHBondContact CB-O 3.4Å; P218-L359 HydrophobicContact CB-CD1 4.03Å
219	K	88.3	Confident	93.9	Very high	154 Å²	154	54.6 Å²	54.6	67%	0.67	29%	0.293	S	S	*	.	H	α-helix	trans	-63.3	-28.4	178	66.1	-176.5	179.7	-178.7	0	113.9	D217	D217-K219 HydrophobicContact CB-CG 4.12Å; D217-K219 PolarHBondContact O-N 3.4Å
220	H	92.4	Very high	94	Very high	49 Å²	49	51 Å²	51	23%	0.227	28%	0.276	C	S	.	.	H	α-helix	trans	-81.4	-37.8	-176.2	-58.3	128.3	0	0	0	111.7	L216 D217 P218 C222 N223 I226	L216-H220 HydrophobicContact CB-CB 4.18Å; L216-H220 HydrophobicContact CD1-CB 4.43Å; L216-H220 HydrophobicContact CD2-CB 3.7Å; L216-H220 HydrophobicContact CG-CB 4.33Å; D217-H220 PolarHBondContact N-ND1 3.34Å; D217-H220 WeakPolarHBondContact O-CB 3.42Å; D217-H220 PolarHBondContact O-N 3.28Å; D217-H220 IonicContact OD2-CE1 3.47Å; D217-H220 IonicContact OD2-ND1 3.31Å; P218-H220 VanDerWaalsContact C-N 3.25Å; P218-H220 PolarHBondContact O-N 3.15Å; H220-C222 PolarHBondContact O-N 3.14Å; H220-N223 VanDerWaalsContact O-CB 3.29Å; H220-N223 WeakPolarHBondContact O-CB 3.45Å; H220-N223 PolarHBondContact O-N 3.35Å; H220-I226 HydrophobicContact CB-CD1 4.2Å
221	V	92.7	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.6	-15	-175.1	-62.3	0	0	0	0	113.5	L216 D217 P218 F227 I230 F349	L216-V221 HydrophobicContact CB-CG1 4.48Å; L216-V221 HydrophobicContact CD1-CG1 4.14Å; D217-V221 PolarHBondContact O-N 3.14Å; P218-V221 WeakPolarHBondContact O-CG2 3.36Å; P218-V221 PolarHBondContact O-N 3.16Å; V221-F227 WeakPolarHBondContact O-CB 3.4Å; V221-I230 HydrophobicContact CB-CD1 4.4Å; V221-I230 HydrophobicContact CG1-CD1 3.91Å; V221-F349 HydrophobicContact CB-CD1 4.44Å; V221-F349 HydrophobicContact CB-CE1 3.93Å; V221-F349 HydrophobicContact CB-CE2 4.18Å; V221-F349 HydrophobicContact CB-CZ 3.78Å; V221-F349 HydrophobicContact CG2-CD1 3.74Å; V221-F349 HydrophobicContact CG2-CD2 3.76Å; V221-F349 HydrophobicContact CG2-CE1 3.72Å; V221-F349 HydrophobicContact CG2-CE2 3.73Å; V221-F349 HydrophobicContact CG2-CG 3.76Å; V221-F349 HydrophobicContact CG2-CZ 3.71Å; V221-F349 WeakPolarHBondContact O-CZ 3.32Å
222	C	90.8	Very high	94.5	Very high	50 Å²	50	53 Å²	53	34%	0.338	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.7	171	-60.6	0	0	0	0	113.6	H220 P224 L365	H220-C222 PolarHBondContact O-N 3.14Å; C222-P224 WeakPolarHBondContact O-CD 3.34Å; C222-L365 HydrophobicContact CB-CD1 4.37Å
223	N	94.4	Very high	94.9	Very high	73 Å²	73	50.1 Å²	50.1	39%	0.39	27%	0.268	S	S	.	.			trans	-72.4	123.8	-178.2	-178	-28.5	0	0	0	110.8	H220 A225 I226 F227	H220-N223 VanDerWaalsContact O-CB 3.29Å; H220-N223 WeakPolarHBondContact O-CB 3.45Å; H220-N223 PolarHBondContact O-N 3.35Å; N223-A225 VanDerWaalsContact C-N 3.26Å; N223-A225 PolarHBondContact O-N 3.11Å; N223-A225 VanDerWaalsContact O-N 3.17Å; N223-A225 WeakPolarHBondContact OD1-CB 3.44Å; N223-A225 PolarHBondContact OD1-N 3.01Å; N223-I226 HydrophobicContact CB-CB 4.19Å; N223-I226 HydrophobicContact CB-CD1 4.09Å; N223-I226 HydrophobicContact CB-CG1 4.11Å; N223-I226 PolarHBondContact O-N 2.95Å; N223-F227 WeakPolarHBondContact O-CD1 3.37Å; N223-F227 PolarHBondContact O-N 3.06Å
224	P	95	Very high	95.1	Very high	58 Å²	58	48.3 Å²	48.3	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-58.5	-28.2	-179.7	-23.9	33.8	0	0	0	116.6	C222 F227 R228	C222-P224 WeakPolarHBondContact O-CD 3.34Å; P224-F227 VanDerWaalsContact CA-CD1 3.45Å; P224-F227 HydrophobicContact CB-CD1 4.36Å; P224-F227 HydrophobicContact CB-CE1 3.74Å; P224-F227 HydrophobicContact CB-CZ 4.08Å; P224-F227 HydrophobicContact CG-CE1 3.98Å; P224-R228 VanDerWaalsContact C-NH1 3.3Å; P224-R228 WeakPolarHBondContact O-CD 3.23Å; P224-R228 VanDerWaalsContact O-CG 3.23Å; P224-R228 WeakPolarHBondContact O-CG 3.14Å; P224-R228 PolarHBondContact O-NH1 3.2Å
225	A	95.8	Very high	95.4	Very high	64 Å²	64	41.6 Å²	41.6	53%	0.529	22%	0.218	S	C	.	.	H	α-helix	trans	-70.8	-42	174.3	0	0	0	0	0	111	N223 L229	N223-A225 VanDerWaalsContact C-N 3.26Å; N223-A225 PolarHBondContact O-N 3.11Å; N223-A225 VanDerWaalsContact O-N 3.17Å; N223-A225 WeakPolarHBondContact OD1-CB 3.44Å; N223-A225 PolarHBondContact OD1-N 3.01Å; A225-L229 WeakPolarHBondContact O-CG 3.4Å
226	I	96.9	Very high	95.6	Very high	11 Å²	11	43 Å²	43	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-77	-47	-175.7	-60.7	179.6	0	0	0	110.8	L216 H220 N223 R228 L229 I230	L216-I226 HydrophobicContact CD1-CG2 3.61Å; H220-I226 HydrophobicContact CB-CD1 4.2Å; N223-I226 HydrophobicContact CB-CB 4.19Å; N223-I226 HydrophobicContact CB-CD1 4.09Å; N223-I226 HydrophobicContact CB-CG1 4.11Å; N223-I226 PolarHBondContact O-N 2.95Å; I226-R228 PolarHBondContact O-N 3.06Å; I226-L229 WeakPolarHBondContact O-CA 3.28Å; I226-L229 WeakPolarHBondContact O-CB 3.34Å; I226-L229 PolarHBondContact O-N 3.36Å; I226-I230 HydrophobicContact CG2-CD1 3.95Å; I226-I230 HydrophobicContact CG2-CG1 4.35Å; I226-I230 WeakPolarHBondContact O-CG1 3.36Å; I226-I230 PolarHBondContact O-N 3.26Å
227	F	96.3	Very high	95.7	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-29.8	-176.2	82.8	-127.6	0	0	0	112.5	V221 N223 P224 L229 I230 A231 L365 Q368 W369	V221-F227 WeakPolarHBondContact O-CB 3.4Å; N223-F227 WeakPolarHBondContact O-CD1 3.37Å; N223-F227 PolarHBondContact O-N 3.06Å; P224-F227 VanDerWaalsContact CA-CD1 3.45Å; P224-F227 HydrophobicContact CB-CD1 4.36Å; P224-F227 HydrophobicContact CB-CE1 3.74Å; P224-F227 HydrophobicContact CB-CZ 4.08Å; P224-F227 HydrophobicContact CG-CE1 3.98Å; F227-L229 VanDerWaalsContact C-N 3.32Å; F227-I230 PolarHBondContact O-N 3.25Å; F227-A231 WeakPolarHBondContact O-CB 3.22Å; F227-A231 PolarHBondContact O-N 3.5Å; F227-L365 HydrophobicContact CD1-CD2 4.41Å; F227-L365 HydrophobicContact CE1-CD2 4.5Å; F227-L365 HydrophobicContact CE1-CG 4.4Å; F227-Q368 HydrophobicContact CE2-CB 4.35Å; F227-Q368 HydrophobicContact CZ-CB 3.87Å; F227-W369 HydrophobicContact CD2-CB 4.16Å; F227-W369 AromaticContact CD2-CD1 3.57Å; F227-W369 HydrophobicContact CD2-CG 4.1Å; F227-W369 HydrophobicContact CE2-CB 4.29Å; F227-W369 AromaticContact CG-CD1 3.76Å
228	R	98.1	Very high	95.9	Very high	120 Å²	120	40.7 Å²	40.7	45%	0.453	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-37.3	174.6	-74.7	-178.2	-177.3	98	-0.4	111.7	P224 I226 R232 A372	P224-R228 VanDerWaalsContact C-NH1 3.3Å; P224-R228 WeakPolarHBondContact O-CD 3.23Å; P224-R228 VanDerWaalsContact O-CG 3.23Å; P224-R228 WeakPolarHBondContact O-CG 3.14Å; P224-R228 PolarHBondContact O-NH1 3.2Å; I226-R228 PolarHBondContact O-N 3.06Å; R228-R232 WeakPolarHBondContact O-CB 3.26Å; R228-R232 PolarHBondContact O-N 3.31Å; R228-A372 HydrophobicContact CG-CB 4.06Å
229	L	98.4	Very high	96.2	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-43.8	173.1	-60.5	172.4	0	0	0	110.6	A225 I226 F227 R232 Q233 Y318 G323 V325	A225-L229 WeakPolarHBondContact O-CG 3.4Å; I226-L229 WeakPolarHBondContact O-CA 3.28Å; I226-L229 WeakPolarHBondContact O-CB 3.34Å; I226-L229 PolarHBondContact O-N 3.36Å; F227-L229 VanDerWaalsContact C-N 3.32Å; L229-R232 PolarHBondContact O-N 3.01Å; L229-Q233 WeakPolarHBondContact O-CB 3.3Å; L229-Q233 PolarHBondContact O-N 2.96Å; L229-Y318 HydrophobicContact CD1-CD2 4.36Å; L229-Y318 HydrophobicContact CD1-CE2 3.92Å; L229-G323 WeakPolarHBondContact CD1-O 3.37Å; L229-G323 WeakPolarHBondContact CD2-O 3.49Å; L229-V325 VanDerWaalsContact C-CG2 3.5Å; L229-V325 HydrophobicContact CB-CB 4.42Å; L229-V325 HydrophobicContact CB-CG1 3.85Å; L229-V325 HydrophobicContact CB-CG2 3.83Å; L229-V325 HydrophobicContact CD1-CG1 4.27Å; L229-V325 WeakPolarHBondContact O-CG2 3.45Å
230	I	98.6	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-49.8	177	-59.2	169.8	0	0	0	110.7	L216 V221 I226 F227 R232 Q233 L234 L311 I316 V325 F327 W369	L216-I230 HydrophobicContact CD1-CD1 3.88Å; V221-I230 HydrophobicContact CB-CD1 4.4Å; V221-I230 HydrophobicContact CG1-CD1 3.91Å; I226-I230 HydrophobicContact CG2-CD1 3.95Å; I226-I230 HydrophobicContact CG2-CG1 4.35Å; I226-I230 WeakPolarHBondContact O-CG1 3.36Å; I226-I230 PolarHBondContact O-N 3.26Å; F227-I230 PolarHBondContact O-N 3.25Å; I230-R232 VanDerWaalsContact C-N 3.33Å; I230-R232 PolarHBondContact O-N 3.24Å; I230-Q233 PolarHBondContact O-N 3.34Å; I230-L234 WeakPolarHBondContact O-CB 3.48Å; I230-L234 PolarHBondContact O-N 3.41Å; I230-L311 HydrophobicContact CG2-CD2 4.29Å; I230-I316 HydrophobicContact CD1-CD1 3.86Å; I230-I316 HydrophobicContact CD1-CG2 4.39Å; I230-I316 HydrophobicContact CG1-CD1 4.2Å; I230-I316 HydrophobicContact CG1-CG2 4.13Å; I230-I316 HydrophobicContact CG2-CD1 4.01Å; I230-V325 HydrophobicContact CG1-CG1 4.4Å; I230-V325 HydrophobicContact CG1-CG2 4.33Å; I230-F327 HydrophobicContact CG2-CE1 4.14Å; I230-F327 HydrophobicContact CG2-CZ 3.99Å; I230-W369 HydrophobicContact CG2-CZ2 4.39Å
231	A	98.6	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-44.7	178.3	0	0	0	0	0	111.7	F227 A235 W369 A372 Y373	F227-A231 WeakPolarHBondContact O-CB 3.22Å; F227-A231 PolarHBondContact O-N 3.5Å; A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.26Å; A231-A235 PolarHBondContact O-N 2.84Å; A231-W369 HydrophobicContact CB-CD2 4.06Å; A231-W369 HydrophobicContact CB-CE3 4.41Å; A231-W369 HydrophobicContact CB-CH2 4.22Å; A231-W369 HydrophobicContact CB-CZ2 3.9Å; A231-W369 HydrophobicContact CB-CZ3 4.47Å; A231-A372 HydrophobicContact CB-CB 4.23Å; A231-Y373 WeakPolarHBondContact O-CD2 3.42Å
232	R	98.5	Very high	95	Very high	98 Å²	98	36.9 Å²	36.9	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-44.3	176.3	-175.8	175.5	-174.4	80.1	-0.7	112.1	R228 L229 I230 A235 K236 A376 E379 F380	R228-R232 WeakPolarHBondContact O-CB 3.26Å; R228-R232 PolarHBondContact O-N 3.31Å; L229-R232 PolarHBondContact O-N 3.01Å; I230-R232 VanDerWaalsContact C-N 3.33Å; I230-R232 PolarHBondContact O-N 3.24Å; R232-A235 PolarHBondContact O-N 2.91Å; R232-K236 PolarHBondContact O-N 2.98Å; R232-A376 HydrophobicContact CB-CB 4.08Å; R232-A376 HydrophobicContact CG-CB 3.93Å; R232-E379 IonicContact CZ-OE1 3.64Å; R232-E379 IonicContact CZ-OE2 3.78Å; R232-E379 IonicContact NH1-OE1 3.6Å; R232-E379 IonicContact NH1-OE2 2.62Å; R232-E379 PolarHBondContact NH1-OE2 3.13Å; R232-E379 IonicContact NH2-OE1 2.79Å; R232-E379 PolarHBondContact NH2-OE1 2.99Å; R232-E379 IonicContact NH2-OE2 2.88Å; R232-E379 PolarHBondContact NH2-OE2 3.39Å; R232-F380 HydrophobicContact CG-CE2 3.97Å; R232-F380 HydrophobicContact CG-CZ 4.07Å; R232-F380 WeakPolarHBondContact O-CE2 3.33Å
233	Q	98.4	Very high	93.8	Very high	26 Å²	26	39 Å²	39	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-39.6	180	-176.1	62.2	9.9	0	0	111.7	L229 I230 K236 I237 V325 F327	L229-Q233 WeakPolarHBondContact O-CB 3.3Å; L229-Q233 PolarHBondContact O-N 2.96Å; I230-Q233 PolarHBondContact O-N 3.34Å; Q233-K236 WeakPolarHBondContact O-CB 3.26Å; Q233-K236 PolarHBondContact O-N 3.47Å; Q233-I237 PolarHBondContact O-N 3.01Å; Q233-V325 HydrophobicContact CB-CG2 3.82Å; Q233-V325 HydrophobicContact CG-CG2 4.32Å; Q233-F327 HydrophobicContact CB-CE1 4.13Å; Q233-F327 HydrophobicContact CB-CE2 4.13Å; Q233-F327 HydrophobicContact CB-CZ 3.7Å; Q233-F327 HydrophobicContact CG-CD1 4.2Å; Q233-F327 HydrophobicContact CG-CD2 4.04Å; Q233-F327 HydrophobicContact CG-CE1 3.91Å; Q233-F327 HydrophobicContact CG-CE2 3.74Å; Q233-F327 HydrophobicContact CG-CG 4.25Å; Q233-F327 HydrophobicContact CG-CZ 3.67Å
234	L	98.6	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-40.6	174.8	-167.7	62.1	0	0	0	111.8	I230 K236 I237 H238 L311 F327 I342 W369 Y373	I230-L234 WeakPolarHBondContact O-CB 3.48Å; I230-L234 PolarHBondContact O-N 3.41Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.4Å; L234-I237 PolarHBondContact O-N 3.48Å; L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.26Å; L234-L311 HydrophobicContact CD1-CD2 4.1Å; L234-L311 HydrophobicContact CD2-CD2 4.14Å; L234-F327 HydrophobicContact CB-CE2 3.99Å; L234-F327 HydrophobicContact CB-CZ 4.21Å; L234-F327 HydrophobicContact CD1-CE2 3.95Å; L234-I342 HydrophobicContact CD2-CG1 3.97Å; L234-W369 HydrophobicContact CD2-CH2 3.96Å; L234-Y373 HydrophobicContact CG-CE2 4.48Å
235	A	98.5	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-37.7	173.4	0	0	0	0	0	112.4	A231 R232 H238 A239 Y373 A376 F380	A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.26Å; A231-A235 PolarHBondContact O-N 2.84Å; R232-A235 PolarHBondContact O-N 2.91Å; A235-H238 PolarHBondContact O-N 3.3Å; A235-A239 VanDerWaalsContact O-CB 3.31Å; A235-A239 WeakPolarHBondContact O-CB 3.43Å; A235-A239 PolarHBondContact O-N 3.46Å; A235-Y373 HydrophobicContact CB-CD2 3.85Å; A235-Y373 HydrophobicContact CB-CE2 3.74Å; A235-A376 HydrophobicContact CB-CB 3.78Å; A235-F380 HydrophobicContact CB-CD2 4.26Å; A235-F380 HydrophobicContact CB-CE2 4.42Å
236	K	98.1	Very high	89.5	Confident	66 Å²	66	40.5 Å²	40.5	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-60.5	-46.3	175	-170.2	-174.2	177.4	-171.5	0	111.5	H192 G193 R232 Q233 L234 A239 F380	H192-K236 WeakPolarHBondContact O-CE 3.21Å; H192-K236 PolarHBondContact O-NZ 3.15Å; G193-K236 PolarHBondContact O-NZ 3.31Å; R232-K236 PolarHBondContact O-N 2.98Å; Q233-K236 WeakPolarHBondContact O-CB 3.26Å; Q233-K236 PolarHBondContact O-N 3.47Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.4Å; K236-A239 PolarHBondContact O-N 3.11Å; K236-F380 HydrophobicContact CB-CD2 4.1Å; K236-F380 HydrophobicContact CB-CE1 4.35Å; K236-F380 HydrophobicContact CB-CE2 3.62Å; K236-F380 HydrophobicContact CB-CZ 3.76Å; K236-F380 HydrophobicContact CD-CZ 4.41Å; K236-F380 HydrophobicContact CG-CE1 4.09Å; K236-F380 HydrophobicContact CG-CE2 4.26Å; K236-F380 HydrophobicContact CG-CZ 3.97Å
237	I	97.6	Very high	88.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-49.2	176.5	-67.5	174.9	0	0	0	110.6	L189 C194 Q233 L234 A239 I240 L306 F327	L189-I237 HydrophobicContact CD2-CB 4.4Å; L189-I237 HydrophobicContact CD2-CD1 4.19Å; L189-I237 HydrophobicContact CD2-CG1 3.94Å; L189-I237 HydrophobicContact CD2-CG2 3.73Å; C194-I237 HydrophobicContact CB-CD1 4.38Å; C194-I237 HydrophobicContact CB-CG1 3.81Å; Q233-I237 PolarHBondContact O-N 3.01Å; L234-I237 PolarHBondContact O-N 3.48Å; I237-A239 PolarHBondContact O-N 3.47Å; I237-I240 VanDerWaalsContact O-CB 3.3Å; I237-I240 WeakPolarHBondContact O-CB 3.45Å; I237-I240 VanDerWaalsContact O-CG1 3.31Å; I237-I240 WeakPolarHBondContact O-CG1 3.05Å; I237-I240 PolarHBondContact O-N 2.84Å; I237-L306 WeakPolarHBondContact CG2-O 3.41Å; I237-F327 HydrophobicContact CD1-CD2 3.51Å; I237-F327 HydrophobicContact CD1-CE2 3.97Å
238	H	97.4	Very high	88.1	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-23.1	-178.7	-69.6	179.5	0	0	0	113.3	L234 A235 I240 V305 L306 D341 Y373 Y377	L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.26Å; A235-H238 PolarHBondContact O-N 3.3Å; H238-I240 VanDerWaalsContact C-N 3.33Å; H238-V305 HydrophobicContact CB-CB 4.34Å; H238-V305 HydrophobicContact CB-CG2 3.88Å; H238-L306 PolarHBondContact CD2-O 3.33Å; H238-D341 IonicContact CE1-OD2 3.81Å; H238-D341 IonicContact NE2-OD2 2.77Å; H238-D341 PolarHBondContact NE2-OD2 2.88Å; H238-D341 VanDerWaalsContact NE2-OD2 3.08Å; H238-Y373 WeakPolarHBondContact CB-OH 3.27Å; H238-Y373 AromaticContact ND1-CE2 3.56Å; H238-Y373 AromaticContact ND1-CZ 3.52Å; H238-Y373 PolarHBondContact ND1-OH 3.44Å; H238-Y377 HydrophobicContact CB-CD2 4.17Å; H238-Y377 HydrophobicContact CB-CE2 3.95Å
239	A	95.9	Very high	87.6	Confident	10 Å²	10	47 Å²	47	8%	0.083	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.1	176.9	0	0	0	0	0	114	A235 K236 I237 H241 Y377 F380 K381	A235-A239 VanDerWaalsContact O-CB 3.31Å; A235-A239 WeakPolarHBondContact O-CB 3.43Å; A235-A239 PolarHBondContact O-N 3.46Å; K236-A239 PolarHBondContact O-N 3.11Å; I237-A239 PolarHBondContact O-N 3.47Å; A239-H241 PolarHBondContact O-N 3.19Å; A239-H241 PolarHBondContact O-ND1 2.95Å; A239-Y377 HydrophobicContact CB-CD2 4.35Å; A239-Y377 HydrophobicContact CB-CE2 4.3Å; A239-F380 HydrophobicContact CB-CB 3.57Å; A239-F380 HydrophobicContact CB-CG 4.46Å; A239-K381 HydrophobicContact CB-CD 4.04Å; A239-K381 HydrophobicContact CB-CG 4.26Å
240	I	93.1	Very high	87.3	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.077	24%	0.238	C	C	.	.			trans	-62.6	123.4	175.9	-62.5	171	0	0	0	109	V188 L189 H192 I237 H238 L306	V188-I240 HydrophobicContact CG1-CG2 3.86Å; L189-I240 HydrophobicContact CD2-CD1 4.03Å; H192-I240 HydrophobicContact CB-CD1 3.7Å; H192-I240 HydrophobicContact CB-CG1 4.05Å; I237-I240 VanDerWaalsContact O-CB 3.3Å; I237-I240 WeakPolarHBondContact O-CB 3.45Å; I237-I240 VanDerWaalsContact O-CG1 3.31Å; I237-I240 WeakPolarHBondContact O-CG1 3.05Å; I237-I240 PolarHBondContact O-N 2.84Å; H238-I240 VanDerWaalsContact C-N 3.33Å; I240-L306 HydrophobicContact CD1-CD2 4.26Å; I240-L306 HydrophobicContact CG2-CD2 4.41Å
241	H	83.1	Confident	86.8	Confident	107 Å²	107	46.2 Å²	46.2	50%	0.495	24%	0.242	S	C	.	.			trans	-77.1	141.4	-177.7	-71.1	78.3	0	0	0	110.9	A239 H243 K381	A239-H241 PolarHBondContact O-N 3.19Å; A239-H241 PolarHBondContact O-ND1 2.95Å; H241-H243 PolarHBondContact O-CD2 2.96Å; H241-H243 PolarHBondContact O-N 3.11Å; H241-H243 PolarHBondContact O-NE2 2.84Å; H241-K381 PolarHBondContact CE1-NZ 3.32Å; H241-K381 PolarHBondContact NE2-NZ 2.84Å
242	A	73.4	Confident	86.6	Confident	25 Å²	25	46.3 Å²	46.3	21%	0.207	24%	0.242	C	C	.	.			trans	-67.2	100.6	166.5	0	0	0	0	0	109	N244 P248 Y335	A242-N244 PolarHBondContact O-N 2.8Å; A242-P248 HydrophobicContact CB-CG 3.54Å; A242-Y335 VanDerWaalsContact CA-OH 3.23Å; A242-Y335 WeakPolarHBondContact CA-OH 3.21Å; A242-Y335 HydrophobicContact CB-CE1 4.01Å; A242-Y335 WeakPolarHBondContact CB-OH 3.1Å
243	H	65.9	Low	86.5	Confident	94 Å²	94	43.1 Å²	43.1	44%	0.435	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	29.4	-177.2	-62	-71.6	0	0	0	113.9	H95 H192 H241	H95-H243 HydrophobicContact CB-CB 4.47Å; H192-H243 AromaticContact CE1-NE2 3.46Å; H192-H243 PolarHBondContact CE1-NE2 2.91Å; H192-H243 AromaticContact NE2-NE2 3.55Å; H241-H243 PolarHBondContact O-CD2 2.96Å; H241-H243 PolarHBondContact O-N 3.11Å; H241-H243 PolarHBondContact O-NE2 2.84Å
244	N	61.4	Low	86.3	Confident	21 Å²	21	46.7 Å²	46.7	11%	0.112	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-7.2	-169.2	70.4	-5.2	0	0	0	114.4	M90 Y93 H95 A242 W246	M90-N244 PolarHBondContact O-ND2 2.96Å; M90-N244 VanDerWaalsContact O-ND2 3.09Å; Y93-N244 PolarHBondContact O-ND2 3.23Å; H95-N244 HydrophobicContact CB-CB 4.34Å; H95-N244 WeakPolarHBondContact CD2-CB 3.2Å; H95-N244 WeakPolarHBondContact NE2-CB 3.47Å; A242-N244 PolarHBondContact O-N 2.8Å; N244-W246 PolarHBondContact O-N 3.39Å; N244-W246 PolarHBondContact OD1-N 2.79Å; N244-W246 PolarHBondContact OD1-O 2.59Å; N244-W246 VanDerWaalsContact OD1-O 3.11Å
245	G	64.1	Low	86	Confident	85 Å²	85	48.3 Å²	48.3	88%	0.876	26%	0.256	S	S	*	.	S	Bend	trans	70.4	7.8	-177.1	0	0	0	0	0	114
246	W	69.3	Low	85.9	Confident	120 Å²	120	48.4 Å²	48.4	46%	0.455	26%	0.257	S	S	.	.	S	Bend	trans	-108.1	148.8	176.5	-64.9	91.4	0	0	0	110.4	A87 M90 A91 N244 P248	A87-W246 HydrophobicContact CB-CH2 4.25Å; A87-W246 HydrophobicContact CB-CZ3 3.97Å; M90-W246 HydrophobicContact CB-CD2 4.21Å; M90-W246 HydrophobicContact CB-CG 4.26Å; M90-W246 HydrophobicContact CB-CZ2 4.48Å; A91-W246 HydrophobicContact CB-CB 4.49Å; N244-W246 PolarHBondContact O-N 3.39Å; N244-W246 PolarHBondContact OD1-N 2.79Å; N244-W246 PolarHBondContact OD1-O 2.59Å; N244-W246 VanDerWaalsContact OD1-O 3.11Å; W246-P248 VanDerWaalsContact O-CD 3.28Å; W246-P248 WeakPolarHBondContact O-CD 3.39Å
247	I	77.4	Confident	85.8	Confident	148 Å²	148	46.8 Å²	46.8	76%	0.759	26%	0.259	S	S	*	.			trans	-70.5	119.5	169.2	-59.9	173.5	0	0	0	107.2	A91	A91-I247 WeakPolarHBondContact CB-O 3.49Å
248	P	84.8	Confident	85.7	Confident	27 Å²	27	51.5 Å²	51.5	18%	0.175	28%	0.279	C	S	.	.			trans	-58.1	145.3	180	-27.2	37.5	0	0	0	112.4	A91 A242 W246 V304 Y335	A91-P248 WeakPolarHBondContact O-CA 3.4Å; A242-P248 HydrophobicContact CB-CG 3.54Å; W246-P248 VanDerWaalsContact O-CD 3.28Å; W246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-V304 HydrophobicContact CB-CB 4.27Å; P248-V304 HydrophobicContact CB-CG1 3.78Å; P248-Y335 HydrophobicContact CB-CD1 3.56Å; P248-Y335 HydrophobicContact CB-CD2 4.46Å; P248-Y335 HydrophobicContact CB-CE1 3.93Å; P248-Y335 HydrophobicContact CB-CG 3.88Å; P248-Y335 HydrophobicContact CG-CD1 4.04Å; P248-Y335 HydrophobicContact CG-CE1 3.89Å
249	K	88.7	Confident	85.6	Confident	95 Å²	95	51.4 Å²	51.4	41%	0.413	28%	0.279	S	S	.	.			trans	-120	144.7	173.1	-73.6	179.8	-172.8	179.4	0	110.1	W88 A91 N92 Y335	W88-K249 HydrophobicContact CG-CD 4.45Å; A91-K249 HydrophobicContact CB-CB 4.14Å; A91-K249 HydrophobicContact CB-CD 3.89Å; A91-K249 HydrophobicContact CB-CG 3.89Å; A91-K249 PolarHBondContact O-N 3.08Å; N92-K249 WeakPolarHBondContact OD1-CB 3.07Å; N92-K249 PolarHBondContact OD1-O 2.94Å; K249-Y335 WeakPolarHBondContact O-CB 3.27Å
250	S	91.5	Very high	85.6	Confident	16 Å²	16	52.9 Å²	52.9	11%	0.112	28%	0.283	C	S	.	.			trans	-76.5	137.4	178	170.9	0	0	0	0	110.5	L252 Y335 N336 Y337	S250-L252 WeakPolarHBondContact OG-CB 3.5Å; S250-L252 PolarHBondContact OG-N 3.38Å; S250-L252 VanDerWaalsContact OG-N 3.07Å; S250-Y335 WeakPolarHBondContact CA-O 3.45Å; S250-N336 PolarHBondContact OG-OD1 3.21Å; S250-Y337 VanDerWaalsContact CB-CE2 3.49Å
251	N	88.4	Confident	85.7	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.08	31%	0.31	C	S	.	.			trans	-91.7	-0.6	170.9	66	10.7	0	0	0	113.5	W253 L254 K255 Y335	N251-W253 PolarHBondContact O-N 2.95Å; N251-L254 PolarHBondContact O-N 3.26Å; N251-K255 WeakPolarHBondContact ND2-CE 3.43Å; N251-K255 PolarHBondContact ND2-NZ 3.32Å; N251-K255 PolarHBondContact O-N 3.03Å; N251-Y335 PolarHBondContact N-O 2.86Å
252	L	95.3	Very high	86.3	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-51.1	-55.8	-174.3	176	61.4	0	0	0	112.6	S250 L254 K255 M256 N336 Y337 Y340 A405 F409	S250-L252 WeakPolarHBondContact OG-CB 3.5Å; S250-L252 PolarHBondContact OG-N 3.38Å; S250-L252 VanDerWaalsContact OG-N 3.07Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 PolarHBondContact O-N 2.92Å; L252-K255 PolarHBondContact O-N 3.06Å; L252-M256 HydrophobicContact CD1-CG 4.2Å; L252-M256 HydrophobicContact CD1-SD 3.95Å; L252-M256 HydrophobicContact CG-SD 4.07Å; L252-M256 WeakPolarHBondContact O-CG 3.36Å; L252-M256 PolarHBondContact O-N 3.43Å; L252-N336 WeakPolarHBondContact CB-OD1 3.16Å; L252-Y337 HydrophobicContact CD2-CD2 4.21Å; L252-Y337 HydrophobicContact CD2-CE2 4.46Å; L252-Y340 HydrophobicContact CD1-CD2 4.14Å; L252-Y340 HydrophobicContact CD1-CE2 3.61Å; L252-Y340 HydrophobicContact CD2-CD2 3.67Å; L252-Y340 HydrophobicContact CD2-CE2 3.99Å; L252-Y340 HydrophobicContact CD2-CG 4.32Å; L252-Y340 HydrophobicContact CG-CE2 4.47Å; L252-A405 HydrophobicContact CD2-CB 4.24Å; L252-F409 HydrophobicContact CD1-CD2 3.81Å; L252-F409 HydrophobicContact CD1-CE2 4.37Å
253	W	95.8	Very high	87.2	Confident	31 Å²	31	53.9 Å²	53.9	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-33.4	-174.7	-51.6	120.7	0	0	0	113.1	N251 M256 G257 M293 K294 L297 S298 Y337 F402 A405	N251-W253 PolarHBondContact O-N 2.95Å; W253-M256 HydrophobicContact CE3-SD 3.88Å; W253-M256 HydrophobicContact CZ3-SD 3.91Å; W253-G257 PolarHBondContact O-N 3.23Å; W253-M293 HydrophobicContact CH2-CB 4.01Å; W253-M293 HydrophobicContact CZ3-CB 3.83Å; W253-K294 HydrophobicContact CB-CD 4.19Å; W253-K294 HydrophobicContact CB-CG 4.4Å; W253-K294 HydrophobicContact CD2-CB 3.92Å; W253-K294 HydrophobicContact CD2-CG 3.94Å; W253-K294 HydrophobicContact CE3-CB 3.99Å; W253-K294 HydrophobicContact CE3-CG 4.5Å; W253-K294 HydrophobicContact CG-CB 4.32Å; W253-K294 HydrophobicContact CG-CD 4.17Å; W253-K294 HydrophobicContact CG-CG 3.86Å; W253-K294 HydrophobicContact CZ3-CB 4.42Å; W253-L297 HydrophobicContact CH2-CB 3.98Å; W253-L297 HydrophobicContact CH2-CD1 3.86Å; W253-L297 HydrophobicContact CH2-CG 4.37Å; W253-L297 HydrophobicContact CZ2-CB 3.94Å; W253-S298 PolarHBondContact NE1-OG 3.09Å; W253-S298 VanDerWaalsContact NE1-OG 3.15Å; W253-Y337 HydrophobicContact CZ2-CE2 4.2Å; W253-Y337 AromaticContact NE1-CE2 3.61Å; W253-Y337 AromaticContact NE1-CZ 3.86Å; W253-Y337 PolarHBondContact NE1-OH 2.88Å; W253-F402 HydrophobicContact CZ2-CE1 4.37Å; W253-A405 HydrophobicContact CH2-CB 4.33Å
254	L	93.1	Very high	88.5	Confident	100 Å²	100	49.6 Å²	49.6	52%	0.524	28%	0.276	S	S	.	.	H	α-helix	trans	-73.3	-41.1	175.5	-70	-171.8	0	0	0	111.8	W88 N251 L252 M256 G257 K258	W88-L254 HydrophobicContact CH2-CD1 3.08Å; W88-L254 HydrophobicContact CH2-CG 4.46Å; W88-L254 HydrophobicContact CZ2-CD1 2.98Å; W88-L254 HydrophobicContact CZ2-CG 4.1Å; W88-L254 HydrophobicContact CZ3-CD1 4.12Å; N251-L254 PolarHBondContact O-N 3.26Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 PolarHBondContact O-N 2.92Å; L254-M256 VanDerWaalsContact C-N 3.33Å; L254-G257 PolarHBondContact O-N 3.26Å; L254-K258 PolarHBondContact O-N 2.68Å
255	K	93.9	Very high	89.9	Confident	35 Å²	35	55.3 Å²	55.3	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-45.9	173.3	-76.1	-175.2	172.5	177.7	0	110.6	N251 L252 G257 K258 Y259 F409	N251-K255 WeakPolarHBondContact ND2-CE 3.43Å; N251-K255 PolarHBondContact ND2-NZ 3.32Å; N251-K255 PolarHBondContact O-N 3.03Å; L252-K255 PolarHBondContact O-N 3.06Å; K255-G257 VanDerWaalsContact C-N 3.35Å; K255-G257 PolarHBondContact O-N 3.45Å; K255-K258 WeakPolarHBondContact O-CB 3.2Å; K255-K258 PolarHBondContact O-N 2.96Å; K255-Y259 WeakPolarHBondContact O-CD1 3.4Å; K255-Y259 PolarHBondContact O-N 3.48Å; K255-F409 HydrophobicContact CB-CE2 3.99Å
256	M	96	Very high	91.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-42.2	175	-66.5	177.9	91.6	0	0	112.1	L252 W253 L254 Y259 F260 M290 M293 F408 F409 L412	L252-M256 HydrophobicContact CD1-CG 4.2Å; L252-M256 HydrophobicContact CD1-SD 3.95Å; L252-M256 HydrophobicContact CG-SD 4.07Å; L252-M256 WeakPolarHBondContact O-CG 3.36Å; L252-M256 PolarHBondContact O-N 3.43Å; W253-M256 HydrophobicContact CE3-SD 3.88Å; W253-M256 HydrophobicContact CZ3-SD 3.91Å; L254-M256 VanDerWaalsContact C-N 3.33Å; M256-Y259 PolarHBondContact O-N 3.36Å; M256-F260 WeakPolarHBondContact O-CB 3.45Å; M256-F260 PolarHBondContact O-N 2.88Å; M256-M290 HydrophobicContact CB-CE 3.77Å; M256-M293 HydrophobicContact CE-CE 3.77Å; M256-F408 HydrophobicContact CE-CB 3.74Å; M256-F408 HydrophobicContact CE-CD1 3.45Å; M256-F408 VanDerWaalsContact CE-CD1 3.45Å; M256-F408 HydrophobicContact CE-CE1 4.41Å; M256-F408 HydrophobicContact CE-CG 3.96Å; M256-F409 HydrophobicContact CE-CB 4.32Å; M256-F409 HydrophobicContact CG-CD2 3.71Å; M256-L412 HydrophobicContact CB-CD1 4.14Å; M256-L412 HydrophobicContact CE-CD1 4.3Å; M256-L412 HydrophobicContact CG-CD1 4.43Å
257	G	96.5	Very high	92.4	Very high	32 Å²	32	48.1 Å²	48.1	33%	0.33	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-43.9	174.5	0	0	0	0	0	113.2	W253 L254 K255 F260 S261	W253-G257 PolarHBondContact O-N 3.23Å; L254-G257 PolarHBondContact O-N 3.26Å; K255-G257 VanDerWaalsContact C-N 3.35Å; K255-G257 PolarHBondContact O-N 3.45Å; G257-F260 PolarHBondContact O-N 3.46Å; G257-S261 PolarHBondContact O-N 3.21Å; G257-S261 VanDerWaalsContact O-N 3.12Å
258	K	94.9	Very high	93.2	Very high	100 Å²	100	46.3 Å²	46.3	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-48.4	173.5	-177.9	-174.4	176.4	-167.3	0	110.5	L175 L254 K255 F260 S261 L262	L175-K258 WeakPolarHBondContact O-CE 3.33Å; L175-K258 PolarHBondContact O-NZ 3.06Å; L254-K258 PolarHBondContact O-N 2.68Å; K255-K258 WeakPolarHBondContact O-CB 3.2Å; K255-K258 PolarHBondContact O-N 2.96Å; K258-F260 VanDerWaalsContact C-N 3.35Å; K258-F260 PolarHBondContact O-N 2.73Å; K258-S261 PolarHBondContact O-N 3.37Å; K258-S261 PolarHBondContact O-OG 3.24Å; K258-L262 HydrophobicContact CG-CD1 4.28Å; K258-L262 WeakPolarHBondContact O-CG 3.48Å; K258-L262 PolarHBondContact O-N 3.15Å
259	Y	95.6	Very high	93.5	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-45.6	-179.4	-74.5	11.4	0	0	0	111.3	L176 K255 M256 S261 L262 I263 F409 L412 W413 I416	L176-Y259 HydrophobicContact CB-CE1 4.28Å; L176-Y259 HydrophobicContact CD2-CD1 3.82Å; L176-Y259 HydrophobicContact CD2-CD2 4.49Å; L176-Y259 HydrophobicContact CD2-CE1 3.43Å; L176-Y259 VanDerWaalsContact CD2-CE1 3.43Å; L176-Y259 HydrophobicContact CD2-CE2 4.15Å; L176-Y259 HydrophobicContact CD2-CG 4.34Å; L176-Y259 HydrophobicContact CG-CE1 4.47Å; L176-Y259 PolarHBondContact O-OH 2.79Å; K255-Y259 WeakPolarHBondContact O-CD1 3.4Å; K255-Y259 PolarHBondContact O-N 3.48Å; M256-Y259 PolarHBondContact O-N 3.36Å; Y259-S261 VanDerWaalsContact C-N 3.26Å; Y259-S261 PolarHBondContact O-N 3.23Å; Y259-L262 WeakPolarHBondContact O-CA 3.5Å; Y259-L262 WeakPolarHBondContact O-CB 3.31Å; Y259-L262 PolarHBondContact O-N 3.31Å; Y259-I263 PolarHBondContact O-N 3.09Å; Y259-F409 HydrophobicContact CD2-CE2 4.3Å; Y259-F409 HydrophobicContact CD2-CZ 4.36Å; Y259-F409 HydrophobicContact CE2-CD1 4.48Å; Y259-F409 HydrophobicContact CE2-CD2 4.43Å; Y259-F409 AromaticContact CE2-CE1 3.84Å; Y259-F409 HydrophobicContact CE2-CE1 3.84Å; Y259-F409 AromaticContact CE2-CE2 3.79Å; Y259-F409 HydrophobicContact CE2-CE2 3.79Å; Y259-F409 AromaticContact CE2-CZ 3.45Å; Y259-F409 HydrophobicContact CE2-CZ 3.45Å; Y259-F409 VanDerWaalsContact CE2-CZ 3.45Å; Y259-F409 AromaticContact CZ-CZ 3.86Å; Y259-L412 HydrophobicContact CD2-CB 4.38Å; Y259-W413 HydrophobicContact CD2-CB 4.31Å; Y259-W413 HydrophobicContact CE2-CB 4.05Å; Y259-I416 HydrophobicContact CD1-CD1 4.16Å; Y259-I416 HydrophobicContact CD2-CD1 4.39Å; Y259-I416 HydrophobicContact CG-CD1 3.84Å
260	F	96.3	Very high	93.8	Very high	40 Å²	40	52.3 Å²	52.3	18%	0.175	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-40.9	176.1	-177.8	-103.7	0	0	0	112.5	M256 G257 K258 L262 I263 S283 L286 Q287 M290 L412	M256-F260 WeakPolarHBondContact O-CB 3.45Å; M256-F260 PolarHBondContact O-N 2.88Å; G257-F260 PolarHBondContact O-N 3.46Å; K258-F260 VanDerWaalsContact C-N 3.35Å; K258-F260 PolarHBondContact O-N 2.73Å; F260-L262 PolarHBondContact O-N 2.65Å; F260-I263 HydrophobicContact CD2-CD1 3.72Å; F260-I263 HydrophobicContact CE2-CD1 4.38Å; F260-I263 HydrophobicContact CG-CD1 4.44Å; F260-I263 PolarHBondContact O-N 3.07Å; F260-S283 WeakPolarHBondContact CZ-O 2.98Å; F260-S283 WeakPolarHBondContact CZ-OG 3.45Å; F260-L286 HydrophobicContact CD2-CB 4.3Å; F260-L286 HydrophobicContact CE2-CB 3.73Å; F260-L286 HydrophobicContact CE2-CD1 4.39Å; F260-Q287 HydrophobicContact CE1-CB 4.3Å; F260-Q287 HydrophobicContact CZ-CB 3.9Å; F260-M290 HydrophobicContact CB-CE 4.07Å; F260-M290 HydrophobicContact CB-SD 3.88Å; F260-M290 HydrophobicContact CD2-SD 3.99Å; F260-M290 HydrophobicContact CG-SD 3.99Å; F260-L412 HydrophobicContact CD2-CD2 4.37Å
261	S	95.3	Very high	93.9	Very high	91 Å²	91	57.3 Å²	57.3	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-67.5	-17.7	176.5	76.5	0	0	0	0	114.7	G257 K258 Y259	G257-S261 PolarHBondContact O-N 3.21Å; G257-S261 VanDerWaalsContact O-N 3.12Å; K258-S261 PolarHBondContact O-N 3.37Å; K258-S261 PolarHBondContact O-OG 3.24Å; Y259-S261 VanDerWaalsContact C-N 3.26Å; Y259-S261 PolarHBondContact O-N 3.23Å
262	L	94.4	Very high	94.1	Very high	46 Å²	46	59.6 Å²	59.6	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-98.1	-4.9	-179.3	-65.2	173.1	0	0	0	113	K258 Y259 F260 I416	K258-L262 HydrophobicContact CG-CD1 4.28Å; K258-L262 WeakPolarHBondContact O-CG 3.48Å; K258-L262 PolarHBondContact O-N 3.15Å; Y259-L262 WeakPolarHBondContact O-CA 3.5Å; Y259-L262 WeakPolarHBondContact O-CB 3.31Å; Y259-L262 PolarHBondContact O-N 3.31Å; F260-L262 PolarHBondContact O-N 2.65Å; L262-I416 HydrophobicContact CB-CD1 3.96Å; L262-I416 HydrophobicContact CB-CG1 4.07Å; L262-I416 HydrophobicContact CD1-CD1 4.48Å
263	I	93.6	Very high	94.1	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.159	35%	0.351	C	S	.	.	S	Bend	trans	-60.4	135	-179.7	-66.5	174.4	0	0	0	109.8	Y259 F260 F276 L286 L412 L415	Y259-I263 PolarHBondContact O-N 3.09Å; F260-I263 HydrophobicContact CD2-CD1 3.72Å; F260-I263 HydrophobicContact CE2-CD1 4.38Å; F260-I263 HydrophobicContact CG-CD1 4.44Å; F260-I263 PolarHBondContact O-N 3.07Å; I263-F276 HydrophobicContact CG2-CE2 4.45Å; I263-F276 HydrophobicContact CG2-CZ 4.32Å; I263-L286 HydrophobicContact CD1-CD1 4.32Å; I263-L412 HydrophobicContact CD1-CD2 3.52Å; I263-L415 HydrophobicContact CD1-CD1 4.1Å; I263-L415 HydrophobicContact CG1-CD1 4.42Å; I263-L415 HydrophobicContact CG2-CB 4.46Å; I263-L415 HydrophobicContact CG2-CD1 4.08Å
264	P	91.5	Very high	94	Very high	4 Å²	4	67.1 Å²	67.1	3%	0.026	38%	0.376	C	S	.	.			trans	-59.1	142.3	173.9	22.3	-32.6	0	0	0	112.9	G266 F267 F276 L415 K419	P264-G266 PolarHBondContact O-N 3.33Å; P264-F267 HydrophobicContact CB-CE2 4.31Å; P264-F267 HydrophobicContact CB-CZ 4.17Å; P264-F267 HydrophobicContact CG-CE1 4.19Å; P264-F267 HydrophobicContact CG-CE2 3.81Å; P264-F267 HydrophobicContact CG-CZ 3.46Å; P264-F267 VanDerWaalsContact CG-CZ 3.46Å; P264-F276 WeakPolarHBondContact O-CZ 3.43Å; P264-L415 WeakPolarHBondContact CD-O 3.44Å; P264-K419 HydrophobicContact CB-CB 4.46Å; P264-K419 HydrophobicContact CB-CD 3.65Å; P264-K419 HydrophobicContact CG-CB 4.39Å; P264-K419 HydrophobicContact CG-CD 4.41Å
265	T	91.9	Very high	94.1	Very high	142 Å²	142	66.6 Å²	66.6	87%	0.871	37%	0.367	S	S	*	.	S	Bend	trans	-80.3	-6.2	168.5	53.5	0	0	0	0	113.1
266	G	92.6	Very high	94.2	Very high	23 Å²	23	66 Å²	66	24%	0.237	36%	0.364	C	S	.	.			trans	166.2	172.6	-179.9	0	0	0	0	0	111.7	P264 N273	P264-G266 PolarHBondContact O-N 3.33Å; G266-N273 WeakPolarHBondContact CA-OD1 3.3Å
267	F	93.7	Very high	94.1	Very high	30 Å²	30	71.4 Å²	71.4	13%	0.132	39%	0.393	C	S	.	.			trans	-119.5	150.4	-180	-64.7	-92.6	0	0	0	110.8	P264 I272 N273 F276 A418 K419	P264-F267 HydrophobicContact CB-CE2 4.31Å; P264-F267 HydrophobicContact CB-CZ 4.17Å; P264-F267 HydrophobicContact CG-CE1 4.19Å; P264-F267 HydrophobicContact CG-CE2 3.81Å; P264-F267 HydrophobicContact CG-CZ 3.46Å; P264-F267 VanDerWaalsContact CG-CZ 3.46Å; F267-I272 HydrophobicContact CB-CB 4.3Å; F267-I272 HydrophobicContact CB-CG2 3.87Å; F267-I272 HydrophobicContact CD1-CG2 3.82Å; F267-I272 HydrophobicContact CD2-CG2 3.96Å; F267-I272 HydrophobicContact CE1-CG2 4.34Å; F267-I272 HydrophobicContact CE2-CG2 4.48Å; F267-I272 HydrophobicContact CG-CG2 3.6Å; F267-N273 HydrophobicContact CB-CB 4.04Å; F267-N273 PolarHBondContact N-OD1 3.29Å; F267-N273 WeakPolarHBondContact O-CB 3.25Å; F267-F276 HydrophobicContact CD2-CB 3.81Å; F267-F276 HydrophobicContact CD2-CD1 4.09Å; F267-F276 HydrophobicContact CD2-CD2 4.4Å; F267-F276 AromaticContact CD2-CG 3.85Å; F267-F276 HydrophobicContact CD2-CG 3.85Å; F267-F276 HydrophobicContact CE2-CB 3.77Å; F267-F276 HydrophobicContact CE2-CD1 4.03Å; F267-F276 AromaticContact CE2-CD2 3.62Å; F267-F276 HydrophobicContact CE2-CD2 3.62Å; F267-F276 HydrophobicContact CE2-CE2 4.19Å; F267-F276 AromaticContact CE2-CG 3.53Å; F267-F276 HydrophobicContact CE2-CG 3.53Å; F267-A418 HydrophobicContact CE1-CB 3.95Å; F267-A418 HydrophobicContact CZ-CB 3.94Å; F267-K419 HydrophobicContact CE1-CB 4.02Å
268	A	92.6	Very high	94	Very high	110 Å²	110	73.7 Å²	73.7	91%	0.909	40%	0.404	S	S	*	.	S	Bend	trans	-73.3	-31.9	178.4	0	0	0	0	0	112.3
269	D	93.1	Very high	94.1	Very high	81 Å²	81	72.3 Å²	72.3	43%	0.433	40%	0.401	S	S	.	.	S	Bend	trans	-74	125.2	172.8	-177.5	-66.1	0	0	0	109.9	D271 I272 N273	D269-D271 PolarHBondContact OD1-N 3.42Å; D269-I272 HydrophobicContact CB-CB 4.03Å; D269-I272 HydrophobicContact CB-CD1 3.88Å; D269-I272 HydrophobicContact CB-CG1 4Å; D269-I272 WeakPolarHBondContact OD1-CG1 3.34Å; D269-I272 PolarHBondContact OD1-N 3.29Å; D269-N273 WeakPolarHBondContact O-CB 3.43Å; D269-N273 PolarHBondContact O-N 3.03Å
270	E	94.3	Very high	94.2	Very high	167 Å²	167	73 Å²	73	78%	0.78	40%	0.404	S	S	*	.	H	α-helix	trans	-66.6	-37.2	-173.9	-67.1	-174.1	175.4	0	0	113	K274	E270-K274 VanDerWaalsContact O-CB 3.25Å; E270-K274 WeakPolarHBondContact O-CB 3.2Å; E270-K274 PolarHBondContact O-N 3.46Å
271	D	92.4	Very high	94.2	Very high	122 Å²	122	72.2 Å²	72.2	65%	0.652	40%	0.403	S	S	*	.	H	α-helix	trans	-72.6	-42.6	-178.9	-76.5	-34.1	0	0	0	110.6	D269 K274 R275	D269-D271 PolarHBondContact OD1-N 3.42Å; D271-K274 PolarHBondContact O-N 2.89Å; D271-R275 PolarHBondContact O-N 2.92Å; D271-R275 VanDerWaalsContact O-N 3.09Å
272	I	92.9	Very high	94.2	Very high	63 Å²	63	70.7 Å²	70.7	32%	0.323	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-46.1	173.2	-62	179.4	0	0	0	110	F267 D269 K274 R275 F276 L428	F267-I272 HydrophobicContact CB-CB 4.3Å; F267-I272 HydrophobicContact CB-CG2 3.87Å; F267-I272 HydrophobicContact CD1-CG2 3.82Å; F267-I272 HydrophobicContact CD2-CG2 3.96Å; F267-I272 HydrophobicContact CE1-CG2 4.34Å; F267-I272 HydrophobicContact CE2-CG2 4.48Å; F267-I272 HydrophobicContact CG-CG2 3.6Å; D269-I272 HydrophobicContact CB-CB 4.03Å; D269-I272 HydrophobicContact CB-CD1 3.88Å; D269-I272 HydrophobicContact CB-CG1 4Å; D269-I272 WeakPolarHBondContact OD1-CG1 3.34Å; D269-I272 PolarHBondContact OD1-N 3.29Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 3.04Å; I272-R275 PolarHBondContact O-N 3.47Å; I272-F276 WeakPolarHBondContact O-CB 3.32Å; I272-F276 PolarHBondContact O-N 3.33Å; I272-L428 HydrophobicContact CG2-CD2 3.7Å; I272-L428 WeakPolarHBondContact O-CD2 3.29Å
273	N	95.3	Very high	94.2	Very high	42 Å²	42	72.2 Å²	72.2	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-37.8	-179.7	-168.6	58.9	0	0	0	111.9	G266 F267 D269 F276 L277	G266-N273 WeakPolarHBondContact CA-OD1 3.3Å; F267-N273 HydrophobicContact CB-CB 4.04Å; F267-N273 PolarHBondContact N-OD1 3.29Å; F267-N273 WeakPolarHBondContact O-CB 3.25Å; D269-N273 WeakPolarHBondContact O-CB 3.43Å; D269-N273 PolarHBondContact O-N 3.03Å; N273-F276 PolarHBondContact O-N 2.8Å; N273-L277 VanDerWaalsContact O-CG 3.28Å; N273-L277 WeakPolarHBondContact O-CG 3.32Å; N273-L277 PolarHBondContact O-N 3.4Å
274	K	95.2	Very high	94.4	Very high	149 Å²	149	76.9 Å²	76.9	65%	0.648	43%	0.429	S	S	*	.	H	α-helix	trans	-62.3	-49.3	175.2	-177.3	-178.8	176.1	-174.4	0	111.6	E270 D271 I272 F276 L277 S278	E270-K274 VanDerWaalsContact O-CB 3.25Å; E270-K274 WeakPolarHBondContact O-CB 3.2Å; E270-K274 PolarHBondContact O-N 3.46Å; D271-K274 PolarHBondContact O-N 2.89Å; I272-K274 VanDerWaalsContact C-N 3.31Å; I272-K274 PolarHBondContact O-N 3.04Å; K274-F276 VanDerWaalsContact C-N 3.32Å; K274-F276 PolarHBondContact O-N 2.68Å; K274-L277 PolarHBondContact O-N 2.88Å; K274-S278 WeakPolarHBondContact O-CB 3.42Å; K274-S278 PolarHBondContact O-N 3.42Å; K274-S278 PolarHBondContact O-OG 3.31Å; K274-S278 VanDerWaalsContact O-OG 3.1Å
275	R	94.9	Very high	94.6	Very high	89 Å²	89	79.9 Å²	79.9	34%	0.336	44%	0.444	S	S	.	.	H	α-helix	trans	-58.5	-44.4	174.8	-74.6	175.3	66.3	-163.1	2.3	111.4	D271 I272 L277 S278 D279 D426 L428	D271-R275 PolarHBondContact O-N 2.92Å; D271-R275 VanDerWaalsContact O-N 3.09Å; I272-R275 PolarHBondContact O-N 3.47Å; R275-L277 VanDerWaalsContact C-N 3.35Å; R275-L277 PolarHBondContact O-N 3Å; R275-S278 PolarHBondContact O-N 3.22Å; R275-S278 PolarHBondContact O-OG 3.49Å; R275-D279 VanDerWaalsContact O-CB 3.29Å; R275-D279 WeakPolarHBondContact O-CB 3.46Å; R275-D279 PolarHBondContact O-N 3.06Å; R275-D426 IonicContact CZ-OD2 2.81Å; R275-D426 IonicContact NH1-OD1 3.4Å; R275-D426 IonicContact NH1-OD2 3.93Å; R275-D426 PolarHBondContact NH1-OD2 2.96Å; R275-D426 IonicContact NH2-OD1 3.71Å; R275-D426 IonicContact NH2-OD2 3.31Å; R275-D426 PolarHBondContact NH2-OD2 3.43Å; R275-D426 VanDerWaalsContact NH2-OD2 3.12Å; R275-L428 HydrophobicContact CB-CD2 3.85Å
276	F	95.6	Very high	94.9	Very high	21 Å²	21	73.3 Å²	73.3	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-58.7	-45.2	177.6	173	-109	0	0	0	112	I263 P264 F267 I272 N273 K274 I280 L415 L428	I263-F276 HydrophobicContact CG2-CE2 4.45Å; I263-F276 HydrophobicContact CG2-CZ 4.32Å; P264-F276 WeakPolarHBondContact O-CZ 3.43Å; F267-F276 HydrophobicContact CD2-CB 3.81Å; F267-F276 HydrophobicContact CD2-CD1 4.09Å; F267-F276 HydrophobicContact CD2-CD2 4.4Å; F267-F276 AromaticContact CD2-CG 3.85Å; F267-F276 HydrophobicContact CD2-CG 3.85Å; F267-F276 HydrophobicContact CE2-CB 3.77Å; F267-F276 HydrophobicContact CE2-CD1 4.03Å; F267-F276 AromaticContact CE2-CD2 3.62Å; F267-F276 HydrophobicContact CE2-CD2 3.62Å; F267-F276 HydrophobicContact CE2-CE2 4.19Å; F267-F276 AromaticContact CE2-CG 3.53Å; F267-F276 HydrophobicContact CE2-CG 3.53Å; I272-F276 WeakPolarHBondContact O-CB 3.32Å; I272-F276 PolarHBondContact O-N 3.33Å; N273-F276 PolarHBondContact O-N 2.8Å; K274-F276 VanDerWaalsContact C-N 3.32Å; K274-F276 PolarHBondContact O-N 2.68Å; F276-I280 HydrophobicContact CD2-CB 4.22Å; F276-I280 HydrophobicContact CD2-CG1 3.88Å; F276-I280 HydrophobicContact CE2-CB 4.43Å; F276-I280 HydrophobicContact CE2-CG1 4.42Å; F276-I280 HydrophobicContact CE2-CG2 4.25Å; F276-I280 VanDerWaalsContact O-CB 3.3Å; F276-I280 WeakPolarHBondContact O-CB 3.45Å; F276-I280 PolarHBondContact O-N 3.02Å; F276-L415 HydrophobicContact CD2-CD2 4.14Å; F276-L415 HydrophobicContact CE2-CD2 4.08Å; F276-L428 HydrophobicContact CB-CD1 4.28Å; F276-L428 HydrophobicContact CB-CD2 4.25Å; F276-L428 HydrophobicContact CD2-CD1 4.17Å
277	L	94.2	Very high	95.1	Very high	116 Å²	116	77.6 Å²	77.6	61%	0.607	42%	0.417	S	S	*	.	H	α-helix	trans	-74.8	-24.9	-179.2	-66.6	174.7	0	0	0	113.8	N273 K274 R275	N273-L277 VanDerWaalsContact O-CG 3.28Å; N273-L277 WeakPolarHBondContact O-CG 3.32Å; N273-L277 PolarHBondContact O-N 3.4Å; K274-L277 PolarHBondContact O-N 2.88Å; R275-L277 VanDerWaalsContact C-N 3.35Å; R275-L277 PolarHBondContact O-N 3Å
278	S	94.8	Very high	95.4	Very high	79 Å²	79	81.1 Å²	81.1	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-93.2	-39.9	-178.8	64.3	0	0	0	0	114	K274 R275	K274-S278 WeakPolarHBondContact O-CB 3.42Å; K274-S278 PolarHBondContact O-N 3.42Å; K274-S278 PolarHBondContact O-OG 3.31Å; K274-S278 VanDerWaalsContact O-OG 3.1Å; R275-S278 PolarHBondContact O-N 3.22Å; R275-S278 PolarHBondContact O-OG 3.49Å
279	D	95.9	Very high	95.6	Very high	71 Å²	71	77.2 Å²	77.2	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-105.4	-17.8	-164.1	-53.8	-17.4	0	0	0	112.5	R275 I432	R275-D279 VanDerWaalsContact O-CB 3.29Å; R275-D279 WeakPolarHBondContact O-CB 3.46Å; R275-D279 PolarHBondContact O-N 3.06Å; D279-I432 HydrophobicContact CB-CD1 3.61Å; D279-I432 HydrophobicContact CB-CG1 3.84Å; D279-I432 HydrophobicContact CB-CG2 4.22Å
280	I	97.2	Very high	95.8	Very high	15 Å²	15	74.6 Å²	74.6	8%	0.077	38%	0.383	C	S	.	.	S	Bend	trans	-92.6	135	174.7	-58.8	-64.2	0	0	0	109.4	F276 L415 L428 A431 I432 F435	F276-I280 HydrophobicContact CD2-CB 4.22Å; F276-I280 HydrophobicContact CD2-CG1 3.88Å; F276-I280 HydrophobicContact CE2-CB 4.43Å; F276-I280 HydrophobicContact CE2-CG1 4.42Å; F276-I280 HydrophobicContact CE2-CG2 4.25Å; F276-I280 VanDerWaalsContact O-CB 3.3Å; F276-I280 WeakPolarHBondContact O-CB 3.45Å; F276-I280 PolarHBondContact O-N 3.02Å; I280-L415 HydrophobicContact CD1-CD2 3.83Å; I280-L415 HydrophobicContact CG1-CD2 3.96Å; I280-L415 HydrophobicContact CG2-CD1 3.95Å; I280-L415 HydrophobicContact CG2-CD2 4.4Å; I280-L428 HydrophobicContact CD1-CD1 4.11Å; I280-L428 HydrophobicContact CG1-CD1 3.9Å; I280-A431 HydrophobicContact CD1-CB 4.11Å; I280-I432 HydrophobicContact CD1-CB 4.38Å; I280-I432 HydrophobicContact CD1-CG1 3.48Å; I280-I432 VanDerWaalsContact CD1-CG1 3.48Å; I280-I432 HydrophobicContact CG1-CG1 4.23Å; I280-F435 HydrophobicContact CD1-CD2 4.06Å; I280-F435 HydrophobicContact CD1-CE2 4.43Å
281	P	96.4	Very high	96	Very high	24 Å²	24	70 Å²	70	16%	0.156	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.9	146.2	173.2	-19.6	27.3	0	0	0	111.8	I285 L286 F435 F439	P281-I285 HydrophobicContact CB-CB 4.23Å; P281-I285 HydrophobicContact CB-CG2 3.93Å; P281-L286 HydrophobicContact CB-CD2 3.86Å; P281-L286 HydrophobicContact CB-CG 4.13Å; P281-L286 HydrophobicContact CG-CD2 4.02Å; P281-F435 HydrophobicContact CG-CB 4.29Å; P281-F435 HydrophobicContact CG-CG 4.41Å; P281-F439 HydrophobicContact CB-CE2 4.28Å; P281-F439 HydrophobicContact CG-CD2 4.46Å; P281-F439 HydrophobicContact CG-CE2 3.56Å; P281-F439 HydrophobicContact CG-CZ 4.26Å
282	S	95.4	Very high	96.2	Very high	60 Å²	60	67.1 Å²	67.1	42%	0.42	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-60.3	154	179.5	75.1	0	0	0	0	111.6	Q284 I285 L286	S282-Q284 PolarHBondContact O-N 3.22Å; S282-Q284 VanDerWaalsContact O-N 3.13Å; S282-I285 PolarHBondContact O-N 3.07Å; S282-I285 WeakPolarHBondContact OG-CG1 3.24Å; S282-I285 PolarHBondContact OG-N 3.3Å; S282-L286 WeakPolarHBondContact O-CG 3.38Å; S282-L286 PolarHBondContact O-N 2.87Å
283	S	94.8	Very high	96.4	Very high	78 Å²	78	64.1 Å²	64.1	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-53.6	-36.1	177.5	-176.8	0	0	0	0	112.5	F260 L286 Q287	F260-S283 WeakPolarHBondContact CZ-O 2.98Å; F260-S283 WeakPolarHBondContact CZ-OG 3.45Å; S283-L286 PolarHBondContact O-N 3.49Å; S283-Q287 WeakPolarHBondContact O-CB 3.44Å; S283-Q287 PolarHBondContact O-N 2.91Å
284	Q	96.8	Very high	96.5	Very high	128 Å²	128	67.4 Å²	67.4	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-50.3	174.7	-179.2	-178.3	-8.3	0	0	111.8	S282 L286 Q287 E288	S282-Q284 PolarHBondContact O-N 3.22Å; S282-Q284 VanDerWaalsContact O-N 3.13Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 3.42Å; Q284-Q287 PolarHBondContact O-N 2.77Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.37Å; Q284-E288 PolarHBondContact NE2-OE1 2.93Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.42Å
285	I	97.4	Very high	96.5	Very high	67 Å²	67	65.9 Å²	65.9	34%	0.344	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-45.6	178.7	-68.1	168.9	0	0	0	109.9	P281 S282 Q287 E288 E289 F439	P281-I285 HydrophobicContact CB-CB 4.23Å; P281-I285 HydrophobicContact CB-CG2 3.93Å; S282-I285 PolarHBondContact O-N 3.07Å; S282-I285 WeakPolarHBondContact OG-CG1 3.24Å; S282-I285 PolarHBondContact OG-N 3.3Å; I285-Q287 VanDerWaalsContact C-N 3.3Å; I285-Q287 PolarHBondContact O-N 3.35Å; I285-E288 PolarHBondContact O-N 2.87Å; I285-E289 HydrophobicContact CG2-CG 4.18Å; I285-E289 WeakPolarHBondContact O-CB 3.4Å; I285-E289 VanDerWaalsContact O-CG 3.25Å; I285-E289 WeakPolarHBondContact O-CG 3.38Å; I285-E289 PolarHBondContact O-N 2.62Å; I285-F439 HydrophobicContact CG2-CE1 4.4Å; I285-F439 HydrophobicContact CG2-CZ 3.83Å
286	L	97.5	Very high	96.4	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-41.2	178.9	-66.9	178.9	0	0	0	111.9	F260 I263 P281 S282 S283 Q284 E289 M290 F408 F435	F260-L286 HydrophobicContact CD2-CB 4.3Å; F260-L286 HydrophobicContact CE2-CB 3.73Å; F260-L286 HydrophobicContact CE2-CD1 4.39Å; I263-L286 HydrophobicContact CD1-CD1 4.32Å; P281-L286 HydrophobicContact CB-CD2 3.86Å; P281-L286 HydrophobicContact CB-CG 4.13Å; P281-L286 HydrophobicContact CG-CD2 4.02Å; S282-L286 WeakPolarHBondContact O-CG 3.38Å; S282-L286 PolarHBondContact O-N 2.87Å; S283-L286 PolarHBondContact O-N 3.49Å; Q284-L286 VanDerWaalsContact C-N 3.31Å; Q284-L286 PolarHBondContact O-N 3.42Å; L286-E289 PolarHBondContact O-N 2.83Å; L286-M290 WeakPolarHBondContact O-CB 3.49Å; L286-M290 VanDerWaalsContact O-CG 3.28Å; L286-M290 WeakPolarHBondContact O-CG 3.25Å; L286-M290 PolarHBondContact O-N 3.01Å; L286-F408 HydrophobicContact CB-CZ 3.93Å; L286-F408 HydrophobicContact CD2-CE1 4.33Å; L286-F408 HydrophobicContact CD2-CE2 3.85Å; L286-F408 HydrophobicContact CD2-CZ 3.5Å; L286-F408 HydrophobicContact CG-CZ 4.31Å; L286-F408 WeakPolarHBondContact O-CZ 3.28Å; L286-F435 HydrophobicContact CD2-CD1 3.98Å; L286-F435 HydrophobicContact CD2-CE1 3.55Å; L286-F435 HydrophobicContact CD2-CZ 3.9Å
287	Q	97.5	Very high	96.4	Very high	114 Å²	114	63.9 Å²	63.9	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-41.7	177.6	-173.7	176.7	12	0	0	112.7	F260 S283 Q284 I285 M290 T291	F260-Q287 HydrophobicContact CE1-CB 4.3Å; F260-Q287 HydrophobicContact CZ-CB 3.9Å; S283-Q287 WeakPolarHBondContact O-CB 3.44Å; S283-Q287 PolarHBondContact O-N 2.91Å; Q284-Q287 PolarHBondContact O-N 2.77Å; I285-Q287 VanDerWaalsContact C-N 3.3Å; I285-Q287 PolarHBondContact O-N 3.35Å; Q287-M290 PolarHBondContact O-N 3.45Å; Q287-T291 PolarHBondContact O-N 3.1Å; Q287-T291 PolarHBondContact O-OG1 3.38Å
288	E	98.1	Very high	96.4	Very high	103 Å²	103	60.5 Å²	60.5	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-45.8	175.6	-72.6	170.6	-174.3	0	0	110.6	Q284 I285 T291 W292	Q284-E288 WeakPolarHBondContact CG-OE1 3.37Å; Q284-E288 PolarHBondContact NE2-OE1 2.93Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.42Å; I285-E288 PolarHBondContact O-N 2.87Å; E288-T291 PolarHBondContact O-N 3.41Å; E288-W292 WeakPolarHBondContact O-CB 3.32Å; E288-W292 PolarHBondContact O-N 2.97Å
289	E	98.1	Very high	96.3	Very high	29 Å²	29	63.3 Å²	63.3	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-39.6	178.6	-70.5	-62.2	147.2	0	0	112.9	I285 L286 T291 W292 M293 F408 Y438 F439 K442	I285-E289 HydrophobicContact CG2-CG 4.18Å; I285-E289 WeakPolarHBondContact O-CB 3.4Å; I285-E289 VanDerWaalsContact O-CG 3.25Å; I285-E289 WeakPolarHBondContact O-CG 3.38Å; I285-E289 PolarHBondContact O-N 2.62Å; L286-E289 PolarHBondContact O-N 2.83Å; E289-T291 VanDerWaalsContact C-N 3.34Å; E289-T291 PolarHBondContact O-N 2.5Å; E289-W292 PolarHBondContact O-N 3.23Å; E289-M293 WeakPolarHBondContact O-CB 3.37Å; E289-M293 WeakPolarHBondContact O-CG 3.33Å; E289-M293 PolarHBondContact O-N 3.43Å; E289-F408 HydrophobicContact CB-CE2 3.7Å; E289-F408 HydrophobicContact CB-CZ 4.14Å; E289-Y438 HydrophobicContact CB-CE1 4.32Å; E289-Y438 HydrophobicContact CG-CE1 4.15Å; E289-Y438 VanDerWaalsContact OE2-CE1 3.3Å; E289-Y438 WeakPolarHBondContact OE2-CE1 3.14Å; E289-Y438 VanDerWaalsContact OE2-CZ 3.28Å; E289-Y438 PolarHBondContact OE2-OH 3.49Å; E289-F439 HydrophobicContact CG-CE1 3.87Å; E289-F439 HydrophobicContact CG-CZ 3.89Å; E289-K442 IonicContact OE1-NZ 2.71Å; E289-K442 PolarHBondContact OE1-NZ 3Å; E289-K442 IonicContact OE2-NZ 3.83Å; E289-K442 PolarHBondContact OE2-NZ 3.18Å
290	M	97.7	Very high	96.1	Very high	26 Å²	26	61.2 Å²	61.2	13%	0.128	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-40.6	172.7	-75.7	175.6	57.1	0	0	112.7	M256 F260 L286 Q287 M293 K294 F408 L412	M256-M290 HydrophobicContact CB-CE 3.77Å; F260-M290 HydrophobicContact CB-CE 4.07Å; F260-M290 HydrophobicContact CB-SD 3.88Å; F260-M290 HydrophobicContact CD2-SD 3.99Å; F260-M290 HydrophobicContact CG-SD 3.99Å; L286-M290 WeakPolarHBondContact O-CB 3.49Å; L286-M290 VanDerWaalsContact O-CG 3.28Å; L286-M290 WeakPolarHBondContact O-CG 3.25Å; L286-M290 PolarHBondContact O-N 3.01Å; Q287-M290 PolarHBondContact O-N 3.45Å; M290-M293 HydrophobicContact CG-CE 4.24Å; M290-K294 WeakPolarHBondContact O-CB 3.41Å; M290-K294 PolarHBondContact O-N 3.42Å; M290-F408 HydrophobicContact CG-CD1 4.02Å; M290-F408 HydrophobicContact CG-CE1 3.29Å; M290-F408 HydrophobicContact CG-CZ 3.76Å; M290-F408 HydrophobicContact SD-CE1 3.79Å; M290-L412 HydrophobicContact SD-CD1 4.1Å
291	T	97.6	Very high	95.9	Very high	70 Å²	70	63.3 Å²	63.3	43%	0.429	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-47.9	177.9	-56.6	0	0	0	0	109.9	Q287 E288 E289 M293 K294 E295	Q287-T291 PolarHBondContact O-N 3.1Å; Q287-T291 PolarHBondContact O-OG1 3.38Å; E288-T291 PolarHBondContact O-N 3.41Å; E289-T291 VanDerWaalsContact C-N 3.34Å; E289-T291 PolarHBondContact O-N 2.5Å; T291-M293 PolarHBondContact O-N 2.89Å; T291-K294 PolarHBondContact O-N 3.07Å; T291-E295 WeakPolarHBondContact O-CG 3.37Å; T291-E295 PolarHBondContact O-N 3.38Å
292	W	97.1	Very high	95.9	Very high	61 Å²	61	62.6 Å²	62.6	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-57.9	-49.5	176.2	175.7	84.9	0	0	0	112.3	E288 E289 K294 E295 I296 L404 K442 T446	E288-W292 WeakPolarHBondContact O-CB 3.32Å; E288-W292 PolarHBondContact O-N 2.97Å; E289-W292 PolarHBondContact O-N 3.23Å; W292-K294 VanDerWaalsContact C-N 3.33Å; W292-K294 PolarHBondContact O-N 3.4Å; W292-E295 PolarHBondContact O-N 3.07Å; W292-I296 HydrophobicContact CD2-CG1 4.23Å; W292-I296 HydrophobicContact CG-CG1 4.43Å; W292-I296 HydrophobicContact CZ2-CB 4.34Å; W292-I296 HydrophobicContact CZ2-CG1 3.93Å; W292-I296 HydrophobicContact CZ2-CG2 4.37Å; W292-I296 WeakPolarHBondContact O-CG1 3.23Å; W292-I296 PolarHBondContact O-N 3.38Å; W292-L404 HydrophobicContact CH2-CD1 4.14Å; W292-L404 HydrophobicContact CZ3-CD1 4.11Å; W292-K442 HydrophobicContact CE3-CD 4.49Å; W292-K442 HydrophobicContact CH2-CD 4.35Å; W292-K442 HydrophobicContact CH2-CG 4.14Å; W292-K442 HydrophobicContact CZ3-CD 4.18Å; W292-K442 HydrophobicContact CZ3-CG 4.33Å; W292-T446 HydrophobicContact CH2-CG2 3.37Å; W292-T446 HydrophobicContact CZ2-CG2 3.46Å; W292-T446 VanDerWaalsContact CZ2-CG2 3.46Å
293	M	97	Very high	95.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-45.7	178	-80.4	-170.4	-67.9	0	0	111.4	W253 M256 E289 M290 T291 E295 I296 L297 A405 F408 Y438	W253-M293 HydrophobicContact CH2-CB 4.01Å; W253-M293 HydrophobicContact CZ3-CB 3.83Å; M256-M293 HydrophobicContact CE-CE 3.77Å; E289-M293 WeakPolarHBondContact O-CB 3.37Å; E289-M293 WeakPolarHBondContact O-CG 3.33Å; E289-M293 PolarHBondContact O-N 3.43Å; M290-M293 HydrophobicContact CG-CE 4.24Å; T291-M293 PolarHBondContact O-N 2.89Å; M293-E295 VanDerWaalsContact C-N 3.32Å; M293-E295 PolarHBondContact O-N 3.29Å; M293-I296 PolarHBondContact O-N 2.97Å; M293-L297 HydrophobicContact CB-CD1 4.1Å; M293-L297 HydrophobicContact CG-CD1 4.22Å; M293-L297 WeakPolarHBondContact O-CB 3.38Å; M293-L297 VanDerWaalsContact O-CG 3.23Å; M293-L297 WeakPolarHBondContact O-CG 3.27Å; M293-L297 PolarHBondContact O-N 2.68Å; M293-A405 HydrophobicContact SD-CB 4.17Å; M293-F408 HydrophobicContact CE-CB 3.68Å; M293-F408 HydrophobicContact CE-CD1 3.74Å; M293-F408 HydrophobicContact CE-CD2 3.64Å; M293-F408 HydrophobicContact CE-CE1 4.21Å; M293-F408 HydrophobicContact CE-CE2 4.14Å; M293-F408 HydrophobicContact CE-CG 3.4Å; M293-F408 HydrophobicContact CE-CZ 4.39Å; M293-F408 HydrophobicContact SD-CB 4.05Å; M293-F408 HydrophobicContact SD-CD2 4.49Å; M293-F408 HydrophobicContact SD-CG 4.33Å; M293-Y438 HydrophobicContact CE-CE2 4.38Å; M293-Y438 HydrophobicContact CG-CE2 4.15Å; M293-Y438 HydrophobicContact SD-CD2 4.49Å; M293-Y438 HydrophobicContact SD-CE2 3.57Å; M293-Y438 VanDerWaalsContact SD-CE2 3.57Å
294	K	96.6	Very high	95.9	Very high	112 Å²	112	60.6 Å²	60.6	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-44.1	178.9	-178.4	-179.7	178.6	-175.3	0	111.3	W253 M290 T291 W292 S298	W253-K294 HydrophobicContact CB-CD 4.19Å; W253-K294 HydrophobicContact CB-CG 4.4Å; W253-K294 HydrophobicContact CD2-CB 3.92Å; W253-K294 HydrophobicContact CD2-CG 3.94Å; W253-K294 HydrophobicContact CE3-CB 3.99Å; W253-K294 HydrophobicContact CE3-CG 4.5Å; W253-K294 HydrophobicContact CG-CB 4.32Å; W253-K294 HydrophobicContact CG-CD 4.17Å; W253-K294 HydrophobicContact CG-CG 3.86Å; W253-K294 HydrophobicContact CZ3-CB 4.42Å; M290-K294 WeakPolarHBondContact O-CB 3.41Å; M290-K294 PolarHBondContact O-N 3.42Å; T291-K294 PolarHBondContact O-N 3.07Å; W292-K294 VanDerWaalsContact C-N 3.33Å; W292-K294 PolarHBondContact O-N 3.4Å; K294-S298 WeakPolarHBondContact O-CB 2.95Å; K294-S298 PolarHBondContact O-N 3.26Å; K294-S298 PolarHBondContact O-OG 3.5Å
295	E	94.9	Very high	95.8	Very high	117 Å²	117	55 Å²	55	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-45.2	-179.9	-73.5	176.6	178.1	0	0	112.5	T291 W292 M293 N299	T291-E295 WeakPolarHBondContact O-CG 3.37Å; T291-E295 PolarHBondContact O-N 3.38Å; W292-E295 PolarHBondContact O-N 3.07Å; M293-E295 VanDerWaalsContact C-N 3.32Å; M293-E295 PolarHBondContact O-N 3.29Å; E295-N299 PolarHBondContact O-ND2 3.42Å
296	I	93.8	Very high	95.7	Very high	68 Å²	68	52 Å²	52	35%	0.349	28%	0.28	S	S	.	.	H	α-helix	trans	-77.3	-52.8	-177	-61.5	-55.6	0	0	0	111.1	W292 M293 S298 N299	W292-I296 HydrophobicContact CD2-CG1 4.23Å; W292-I296 HydrophobicContact CG-CG1 4.43Å; W292-I296 HydrophobicContact CZ2-CB 4.34Å; W292-I296 HydrophobicContact CZ2-CG1 3.93Å; W292-I296 HydrophobicContact CZ2-CG2 4.37Å; W292-I296 WeakPolarHBondContact O-CG1 3.23Å; W292-I296 PolarHBondContact O-N 3.38Å; M293-I296 PolarHBondContact O-N 2.97Å; I296-S298 PolarHBondContact O-N 3.47Å; I296-N299 PolarHBondContact O-N 3.3Å; I296-N299 VanDerWaalsContact O-N 3.14Å
297	L	95.3	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-33.2	-169.8	-56.7	-176.5	0	0	0	112.4	W253 M293 N299 L300 Q401 F402 A405	W253-L297 HydrophobicContact CH2-CB 3.98Å; W253-L297 HydrophobicContact CH2-CD1 3.86Å; W253-L297 HydrophobicContact CH2-CG 4.37Å; W253-L297 HydrophobicContact CZ2-CB 3.94Å; M293-L297 HydrophobicContact CB-CD1 4.1Å; M293-L297 HydrophobicContact CG-CD1 4.22Å; M293-L297 WeakPolarHBondContact O-CB 3.38Å; M293-L297 VanDerWaalsContact O-CG 3.23Å; M293-L297 WeakPolarHBondContact O-CG 3.27Å; M293-L297 PolarHBondContact O-N 2.68Å; L297-N299 PolarHBondContact O-N 3.3Å; L297-L300 HydrophobicContact CB-CD1 4.41Å; L297-L300 HydrophobicContact CD2-CD1 3.56Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.79Å; L297-Q401 HydrophobicContact CD2-CB 3.63Å; L297-F402 HydrophobicContact CB-CD1 4.31Å; L297-F402 HydrophobicContact CB-CE1 3.8Å; L297-F402 HydrophobicContact CB-CE2 4.3Å; L297-F402 HydrophobicContact CB-CZ 3.8Å; L297-F402 HydrophobicContact CD1-CD1 4.19Å; L297-F402 HydrophobicContact CD1-CE1 4.44Å; L297-F402 VanDerWaalsContact O-CZ 3.28Å; L297-F402 WeakPolarHBondContact O-CZ 3.49Å; L297-A405 HydrophobicContact CD1-CB 3.81Å
298	S	93.9	Very high	95.7	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	175.9	-57.7	0	0	0	0	113.1	W253 K294 I296 Y337	W253-S298 PolarHBondContact NE1-OG 3.09Å; W253-S298 VanDerWaalsContact NE1-OG 3.15Å; K294-S298 WeakPolarHBondContact O-CB 2.95Å; K294-S298 PolarHBondContact O-N 3.26Å; K294-S298 PolarHBondContact O-OG 3.5Å; I296-S298 PolarHBondContact O-N 3.47Å; S298-Y337 PolarHBondContact OG-OH 3.5Å
299	N	92.3	Very high	95.7	Very high	138 Å²	138	42 Å²	42	74%	0.738	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	0.2	-178.7	-71.6	-44.7	0	0	0	113.5	E295 I296 L297 G301	E295-N299 PolarHBondContact O-ND2 3.42Å; I296-N299 PolarHBondContact O-N 3.3Å; I296-N299 VanDerWaalsContact O-N 3.14Å; L297-N299 PolarHBondContact O-N 3.3Å; N299-G301 PolarHBondContact O-N 3.21Å
300	L	92.3	Very high	95.6	Very high	28 Å²	28	41.1 Å²	41.1	15%	0.147	23%	0.23	C	C	.	.	S	Bend	trans	-74.6	-9.7	180	-69.9	177.8	0	0	0	114.4	L297 S302 Q398 Q401 F402	L297-L300 HydrophobicContact CB-CD1 4.41Å; L297-L300 HydrophobicContact CD2-CD1 3.56Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 2.79Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.25Å; L300-Q398 HydrophobicContact CB-CG 4.34Å; L300-Q398 PolarHBondContact O-NE2 2.85Å; L300-Q401 HydrophobicContact CD1-CB 3.71Å; L300-Q401 HydrophobicContact CD1-CG 4.4Å; L300-F402 HydrophobicContact CB-CE2 4.3Å; L300-F402 HydrophobicContact CD1-CD2 4.11Å; L300-F402 HydrophobicContact CD1-CE2 3.95Å
301	G	93.4	Very high	95.5	Very high	58 Å²	58	39.9 Å²	39.9	60%	0.598	22%	0.224	S	C	*	.			trans	72.8	19.7	178.8	0	0	0	0	0	114.6	N299 P303 Q398	N299-G301 PolarHBondContact O-N 3.21Å; G301-P303 WeakPolarHBondContact O-CD 3.1Å; G301-Q398 PolarHBondContact O-NE2 2.77Å
302	S	95.9	Very high	95.4	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.063	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-65.5	128.3	170.1	176.2	0	0	0	0	109.3	L300 L338 A339	L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.25Å; S302-L338 PolarHBondContact OG-N 3.24Å; S302-A339 WeakPolarHBondContact OG-CB 3.13Å; S302-A339 PolarHBondContact OG-N 3.4Å; S302-A339 VanDerWaalsContact OG-N 3.16Å
303	P	95.1	Very high	95.2	Very high	63 Å²	63	35.3 Å²	35.3	41%	0.409	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-58.2	146.8	173.6	-23.9	34.3	0	0	0	111.8	G301 V305 Y337 L338	G301-P303 WeakPolarHBondContact O-CD 3.1Å; P303-V305 HydrophobicContact CB-CG1 4.3Å; P303-Y337 WeakPolarHBondContact O-CA 3.41Å; P303-L338 PolarHBondContact O-N 3.06Å
304	V	95.7	Very high	95	Very high	34 Å²	34	39.2 Å²	39.2	21%	0.206	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.1	168.1	-179	0	0	0	0	108.5	P248 N336 Y337	P248-V304 HydrophobicContact CB-CB 4.27Å; P248-V304 HydrophobicContact CB-CG1 3.78Å; V304-N336 CarbonylContact C-O 3.48Å; V304-N336 VanDerWaalsContact CA-O 3.25Å; V304-N336 WeakPolarHBondContact CA-O 3.41Å; V304-Y337 HydrophobicContact CG2-CD1 4.04Å; V304-Y337 HydrophobicContact CG2-CE1 4.05Å
305	V	95.3	Very high	95	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	169.6	-176.7	-59.8	0	0	0	0	109.7	H238 P303 C307 Y335 N336 L338	H238-V305 HydrophobicContact CB-CB 4.34Å; H238-V305 HydrophobicContact CB-CG2 3.88Å; P303-V305 HydrophobicContact CB-CG1 4.3Å; V305-C307 PolarHBondContact O-N 3.27Å; V305-Y335 VanDerWaalsContact O-CA 3.3Å; V305-Y335 WeakPolarHBondContact O-CA 3.26Å; V305-N336 PolarHBondContact N-O 3.37Å; V305-N336 PolarHBondContact O-N 2.96Å; V305-N336 VanDerWaalsContact O-O 3.11Å; V305-L338 HydrophobicContact CG2-CB 3.78Å; V305-L338 HydrophobicContact CG2-CG 4.48Å
306	L	95.2	Very high	95.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.5	168.4	-179.3	64.2	0	0	0	108.1	I94 V188 L189 I237 H238 I240 Y335	I94-L306 HydrophobicContact CD1-CD1 4.26Å; V188-L306 HydrophobicContact CG1-CD2 3.83Å; L189-L306 HydrophobicContact CD2-CD2 3.96Å; L189-L306 HydrophobicContact CG-CD2 4.29Å; I237-L306 WeakPolarHBondContact CG2-O 3.41Å; H238-L306 PolarHBondContact CD2-O 3.33Å; I240-L306 HydrophobicContact CD1-CD2 4.26Å; I240-L306 HydrophobicContact CG2-CD2 4.41Å; L306-Y335 HydrophobicContact CB-CD1 4.44Å; L306-Y335 HydrophobicContact CB-CE1 4.2Å
307	C	97	Very high	95.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.3	-177.7	-72	0	0	0	0	111.1	V305 N309 S333 G334 N336 D341	V305-C307 PolarHBondContact O-N 3.27Å; C307-N309 VanDerWaalsContact CB-OD1 3.26Å; C307-N309 WeakPolarHBondContact CB-OD1 3.39Å; C307-S333 VanDerWaalsContact O-CA 3.22Å; C307-S333 WeakPolarHBondContact O-CA 3.47Å; C307-S333 WeakPolarHBondContact O-CB 3.42Å; C307-G334 PolarHBondContact N-O 3.42Å; C307-G334 PolarHBondContact O-N 3.41Å; C307-N336 HydrophobicContact CB-CB 4Å; C307-D341 VanDerWaalsContact CA-OD2 3.26Å; C307-D341 WeakPolarHBondContact CA-OD2 3.33Å; C307-D341 HydrophobicContact CB-CB 3.98Å; C307-D341 VanDerWaalsContact CB-OD2 3.23Å; C307-D341 WeakPolarHBondContact CB-OD2 2.97Å
308	H	97.6	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	17%	0.17	C	C	.	.			trans	-69.4	-42.5	166.7	-166.9	-83.7	0	0	0	111.1	D310 L311 I328 D329 Y330 Y332 S333 D341	H308-D310 PolarHBondContact CE1-O 3.21Å; H308-D310 VanDerWaalsContact CE1-O 3.23Å; H308-D310 PolarHBondContact ND1-N 2.85Å; H308-D310 PolarHBondContact ND1-O 3.45Å; H308-D310 PolarHBondContact O-N 3.2Å; H308-D310 VanDerWaalsContact O-N 3.09Å; H308-L311 PolarHBondContact ND1-N 3.43Å; H308-I328 PolarHBondContact CE1-O 2.98Å; H308-I328 PolarHBondContact NE2-O 3.24Å; H308-D329 PolarHBondContact CE1-O 3.11Å; H308-D329 VanDerWaalsContact CE1-O 3.26Å; H308-D329 PolarHBondContact NE2-O 3.3Å; H308-Y330 AromaticContact CD2-CD1 3.58Å; H308-Y330 AromaticContact CD2-CE1 3.57Å; H308-Y330 AromaticContact NE2-CD1 3.68Å; H308-Y330 AromaticContact NE2-CE1 3.76Å; H308-Y332 CarbonylContact O-C 3.56Å; H308-S333 WeakPolarHBondContact O-CA 3.24Å; H308-S333 PolarHBondContact O-N 3.01Å; H308-S333 PolarHBondContact O-OG 3.28Å; H308-D341 PolarHBondContact N-OD2 2.84Å
309	N	97.5	Very high	95.4	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	16%	0.16	C	C	.	.	S	Bend	trans	66.4	-14.6	-177.5	-59.9	-53.9	0	0	0	116.4	C307 Y332 G334 N336 Y340 D341	C307-N309 VanDerWaalsContact CB-OD1 3.26Å; C307-N309 WeakPolarHBondContact CB-OD1 3.39Å; N309-Y332 WeakPolarHBondContact CB-O 3.34Å; N309-Y332 PolarHBondContact ND2-O 2.93Å; N309-G334 PolarHBondContact ND2-N 2.94Å; N309-G334 PolarHBondContact ND2-O 3.35Å; N309-N336 WeakPolarHBondContact OD1-CB 3.5Å; N309-N336 PolarHBondContact OD1-ND2 3.23Å; N309-Y340 HydrophobicContact CB-CE1 4.37Å; N309-D341 VanDerWaalsContact CA-OD1 3.26Å; N309-D341 WeakPolarHBondContact CA-OD1 2.79Å; N309-D341 PolarHBondContact N-OD1 3.12Å
310	D	96.1	Very high	95.5	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.064	16%	0.159	C	C	.	.			trans	-134.9	52.4	180	-170	22.4	0	0	0	113.1	H308 L312 N315 Y332 W410	H308-D310 PolarHBondContact CE1-O 3.21Å; H308-D310 VanDerWaalsContact CE1-O 3.23Å; H308-D310 PolarHBondContact ND1-N 2.85Å; H308-D310 PolarHBondContact ND1-O 3.45Å; H308-D310 PolarHBondContact O-N 3.2Å; H308-D310 VanDerWaalsContact O-N 3.09Å; D310-L312 VanDerWaalsContact C-N 3.26Å; D310-L312 PolarHBondContact O-N 3.37Å; D310-N315 PolarHBondContact O-ND2 2.96Å; D310-Y332 HydrophobicContact CB-CD2 3.76Å; D310-Y332 HydrophobicContact CB-CG 4.24Å; D310-W410 HydrophobicContact CB-CH2 4.08Å; D310-W410 HydrophobicContact CB-CZ2 3.84Å; D310-W410 WeakPolarHBondContact OD1-CH2 3.33Å; D310-W410 WeakPolarHBondContact OD1-CZ2 3.28Å
311	L	96.3	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.			trans	-85.5	59.7	-173.8	-162.1	67.5	0	0	0	113.3	I230 L234 H308 I316 F327 N344 H345	I230-L311 HydrophobicContact CG2-CD2 4.29Å; L234-L311 HydrophobicContact CD1-CD2 4.1Å; L234-L311 HydrophobicContact CD2-CD2 4.14Å; H308-L311 PolarHBondContact ND1-N 3.43Å; L311-I316 HydrophobicContact CD1-CD1 4.31Å; L311-I316 HydrophobicContact CD1-CG1 3.91Å; L311-I316 HydrophobicContact CG-CD1 4.12Å; L311-I316 HydrophobicContact CG-CG1 4.25Å; L311-F327 HydrophobicContact CD1-CB 4.28Å; L311-F327 HydrophobicContact CD1-CD1 3.77Å; L311-F327 HydrophobicContact CD1-CD2 3.67Å; L311-F327 HydrophobicContact CD1-CE1 3.96Å; L311-F327 HydrophobicContact CD1-CE2 3.87Å; L311-F327 HydrophobicContact CD1-CG 3.64Å; L311-F327 HydrophobicContact CD1-CZ 4.01Å; L311-F327 HydrophobicContact CD2-CE1 4.41Å; L311-F327 HydrophobicContact CD2-CE2 3.98Å; L311-F327 HydrophobicContact CD2-CZ 3.88Å; L311-N344 PolarHBondContact N-ND2 2.99Å; L311-H345 HydrophobicContact CB-CB 4.28Å; L311-H345 HydrophobicContact CD2-CB 4.17Å; L311-H345 PolarHBondContact O-ND1 3.44Å
312	L	94.3	Very high	95.4	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	20%	0.195	C	C	.	.			trans	-73.5	159.2	170.9	61.2	80.7	0	0	0	112.2	D310 K314 N315 E348 V352	D310-L312 VanDerWaalsContact C-N 3.26Å; D310-L312 PolarHBondContact O-N 3.37Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 HydrophobicContact CD1-CB 3.58Å; L312-K314 HydrophobicContact CD1-CG 4.46Å; L312-K314 PolarHBondContact O-N 2.87Å; L312-K314 VanDerWaalsContact O-N 3.17Å; L312-N315 HydrophobicContact CD1-CB 4.12Å; L312-N315 HydrophobicContact CG-CB 4.36Å; L312-N315 WeakPolarHBondContact O-CB 3.49Å; L312-N315 PolarHBondContact O-N 2.86Å; L312-E348 HydrophobicContact CB-CB 4.06Å; L312-E348 HydrophobicContact CB-CG 3.77Å; L312-E348 WeakPolarHBondContact CB-OE2 3.46Å; L312-V352 HydrophobicContact CD2-CG2 4.47Å
313	C	94.3	Very high	95.3	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.054	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.4	-40.6	-172.9	-67.5	0	0	0	0	113.3	L216 N315 I316	L216-C313 HydrophobicContact CB-CB 4.49Å; L216-C313 WeakPolarHBondContact CB-O 3.26Å; L216-C313 PolarHBondContact N-O 2.64Å; L216-C313 CarbonylContact O-C 3.59Å; C313-N315 PolarHBondContact O-N 3.22Å; C313-I316 PolarHBondContact O-N 3.38Å; C313-I316 VanDerWaalsContact O-N 3.13Å
314	K	93.2	Very high	95.4	Very high	81 Å²	81	41.1 Å²	41.1	35%	0.352	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-70.1	-15	179.9	-63.2	-70	173.5	-166.9	0	114.5	A215 L216 D217 L312	A215-K314 HydrophobicContact CB-CD 4.06Å; L216-K314 WeakPolarHBondContact O-CD 3.42Å; D217-K314 WeakPolarHBondContact OD1-CE 3.23Å; D217-K314 IonicContact OD1-NZ 2.91Å; D217-K314 PolarHBondContact OD1-NZ 2.88Å; D217-K314 IonicContact OD2-NZ 2.7Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 HydrophobicContact CD1-CB 3.58Å; L312-K314 HydrophobicContact CD1-CG 4.46Å; L312-K314 PolarHBondContact O-N 2.87Å; L312-K314 VanDerWaalsContact O-N 3.17Å
315	N	95.6	Very high	95.4	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.07	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-88.1	5.7	174.8	-71.5	-8.2	0	0	0	112.1	D310 L312 C313 F327 I328	D310-N315 PolarHBondContact O-ND2 2.96Å; L312-N315 HydrophobicContact CD1-CB 4.12Å; L312-N315 HydrophobicContact CG-CB 4.36Å; L312-N315 WeakPolarHBondContact O-CB 3.49Å; L312-N315 PolarHBondContact O-N 2.86Å; C313-N315 PolarHBondContact O-N 3.22Å; N315-F327 CarbonylContact O-C 3.54Å; N315-F327 WeakPolarHBondContact O-CA 3.39Å; N315-I328 HydrophobicContact CB-CG1 4.44Å; N315-I328 WeakPolarHBondContact CB-O 3.39Å; N315-I328 PolarHBondContact O-N 3.33Å
316	I	97.3	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.7	176.9	-52.7	172.9	0	0	0	107.9	A215 L216 I230 L311 C313 V325 F327	A215-I316 WeakPolarHBondContact CA-O 3.36Å; L216-I316 HydrophobicContact CB-CB 4.42Å; L216-I316 HydrophobicContact CD1-CB 4Å; L216-I316 HydrophobicContact CD1-CG2 3.56Å; L216-I316 HydrophobicContact CG-CB 4.2Å; L216-I316 HydrophobicContact CG-CG2 4.06Å; L216-I316 PolarHBondContact N-O 3.4Å; I230-I316 HydrophobicContact CD1-CD1 3.86Å; I230-I316 HydrophobicContact CD1-CG2 4.39Å; I230-I316 HydrophobicContact CG1-CD1 4.2Å; I230-I316 HydrophobicContact CG1-CG2 4.13Å; I230-I316 HydrophobicContact CG2-CD1 4.01Å; L311-I316 HydrophobicContact CD1-CD1 4.31Å; L311-I316 HydrophobicContact CD1-CG1 3.91Å; L311-I316 HydrophobicContact CG-CD1 4.12Å; L311-I316 HydrophobicContact CG-CG1 4.25Å; C313-I316 PolarHBondContact O-N 3.38Å; C313-I316 VanDerWaalsContact O-N 3.13Å; I316-V325 HydrophobicContact CG2-CB 4.04Å; I316-V325 HydrophobicContact CG2-CG1 4.23Å; I316-F327 HydrophobicContact CB-CD1 4.4Å; I316-F327 HydrophobicContact CD1-CE1 4.44Å; I316-F327 HydrophobicContact CG1-CD1 3.99Å; I316-F327 HydrophobicContact CG1-CE1 4.04Å; I316-F327 HydrophobicContact CG2-CD1 4.14Å; I316-F327 HydrophobicContact CG2-CE1 4.05Å
317	I	96.9	Very high	95.6	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.5	175.5	-52.5	-54.3	0	0	0	108.3	I211 A215 V325 Q326 I328	I211-I317 HydrophobicContact CG2-CB 4.01Å; I211-I317 HydrophobicContact CG2-CG1 4.38Å; I211-I317 HydrophobicContact CG2-CG2 3.81Å; A215-I317 HydrophobicContact CB-CD1 3.79Å; I317-V325 CarbonylContact O-C 3.56Å; I317-V325 VanDerWaalsContact O-CA 3.26Å; I317-V325 WeakPolarHBondContact O-CA 3.12Å; I317-Q326 PolarHBondContact N-O 2.98Å; I317-Q326 PolarHBondContact O-N 3.43Å; I317-I328 HydrophobicContact CD1-CD1 3.78Å; I317-I328 HydrophobicContact CD1-CG1 4.4Å; I317-I328 HydrophobicContact CG1-CD1 3.98Å; I317-I328 HydrophobicContact CG1-CG1 4.21Å; I317-I328 HydrophobicContact CG1-CG2 4Å
318	Y	97.3	Very high	95.5	Very high	52 Å²	52	43.2 Å²	43.2	20%	0.204	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.2	174.5	174.5	-121.6	0	0	0	110.4	G213 E214 L216 L229 E320 D324 V325	G213-Y318 CarbonylContact C-O 3.54Å; G213-Y318 VanDerWaalsContact CA-O 3.24Å; G213-Y318 WeakPolarHBondContact CA-O 3.4Å; E214-Y318 PolarHBondContact N-O 2.89Å; E214-Y318 PolarHBondContact O-N 2.82Å; L216-Y318 VanDerWaalsContact CD2-CB 3.49Å; L216-Y318 HydrophobicContact CD2-CG 4.33Å; L229-Y318 HydrophobicContact CD1-CD2 4.36Å; L229-Y318 HydrophobicContact CD1-CE2 3.92Å; Y318-E320 HydrophobicContact CD1-CB 4.47Å; Y318-E320 HydrophobicContact CE1-CB 3.78Å; Y318-E320 HydrophobicContact CE1-CG 4.21Å; Y318-D324 VanDerWaalsContact CD2-O 3.25Å; Y318-D324 WeakPolarHBondContact CD2-O 3.37Å; Y318-V325 HydrophobicContact CD2-CG1 3.89Å
319	N	95.4	Very high	95.2	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	97.4	174.6	-173	-27.2	0	0	0	109.3	Q212 K321 Q322 G323 D324	Q212-N319 PolarHBondContact O-ND2 3.37Å; N319-K321 PolarHBondContact O-N 3.27Å; N319-K321 WeakPolarHBondContact OD1-CB 3.33Å; N319-K321 PolarHBondContact OD1-N 2.84Å; N319-K321 VanDerWaalsContact OD1-N 3.17Å; N319-Q322 HydrophobicContact CB-CB 4.22Å; N319-Q322 VanDerWaalsContact ND2-CD 3.31Å; N319-Q322 PolarHBondContact ND2-OE1 2.92Å; N319-Q322 VanDerWaalsContact ND2-OE1 3.15Å; N319-Q322 PolarHBondContact O-N 3.34Å; N319-Q322 PolarHBondContact OD1-N 3.35Å; N319-Q322 VanDerWaalsContact OD1-N 3.14Å; N319-G323 PolarHBondContact O-N 3.21Å; N319-D324 WeakPolarHBondContact CB-OD1 3.29Å; N319-D324 PolarHBondContact N-O 3.35Å; N319-D324 PolarHBondContact O-N 3.49Å
320	E	93.6	Very high	94.9	Very high	155 Å²	155	44.5 Å²	44.5	72%	0.724	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-36	-179.3	-172.7	-179.8	-158.2	0	0	112.6	Y318 Q322 G323	Y318-E320 HydrophobicContact CD1-CB 4.47Å; Y318-E320 HydrophobicContact CE1-CB 3.78Å; Y318-E320 HydrophobicContact CE1-CG 4.21Å; E320-Q322 PolarHBondContact O-N 3.06Å; E320-G323 PolarHBondContact O-N 2.88Å
321	K	92.4	Very high	94.7	Very high	200 Å²	200	44.2 Å²	44.2	87%	0.87	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-36.3	-178.6	-64.6	179.5	-178.9	172.8	0	112.3	N319	N319-K321 PolarHBondContact O-N 3.27Å; N319-K321 WeakPolarHBondContact OD1-CB 3.33Å; N319-K321 PolarHBondContact OD1-N 2.84Å; N319-K321 VanDerWaalsContact OD1-N 3.17Å
322	Q	92.1	Very high	94.6	Very high	134 Å²	134	44.5 Å²	44.5	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-19.3	179.5	-68.2	-178	-15.7	0	0	112.3	N319 E320 D324	N319-Q322 HydrophobicContact CB-CB 4.22Å; N319-Q322 VanDerWaalsContact ND2-CD 3.31Å; N319-Q322 PolarHBondContact ND2-OE1 2.92Å; N319-Q322 VanDerWaalsContact ND2-OE1 3.15Å; N319-Q322 PolarHBondContact O-N 3.34Å; N319-Q322 PolarHBondContact OD1-N 3.35Å; N319-Q322 VanDerWaalsContact OD1-N 3.14Å; E320-Q322 PolarHBondContact O-N 3.06Å; Q322-D324 VanDerWaalsContact C-N 3.33Å; Q322-D324 WeakPolarHBondContact CB-OD1 3.46Å
323	G	94.3	Very high	94.6	Very high	36 Å²	36	43.3 Å²	43.3	37%	0.371	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	30.3	-178.6	0	0	0	0	0	112.8	L229 N319 E320	L229-G323 WeakPolarHBondContact CD1-O 3.37Å; L229-G323 WeakPolarHBondContact CD2-O 3.49Å; N319-G323 PolarHBondContact O-N 3.21Å; E320-G323 PolarHBondContact O-N 2.88Å
324	D	95.1	Very high	94.5	Very high	54 Å²	54	43 Å²	43	29%	0.289	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	172.4	-178.4	72.6	-11.3	0	0	0	112.7	Y318 N319 Q322	Y318-D324 VanDerWaalsContact CD2-O 3.25Å; Y318-D324 WeakPolarHBondContact CD2-O 3.37Å; N319-D324 WeakPolarHBondContact CB-OD1 3.29Å; N319-D324 PolarHBondContact N-O 3.35Å; N319-D324 PolarHBondContact O-N 3.49Å; Q322-D324 VanDerWaalsContact C-N 3.33Å; Q322-D324 WeakPolarHBondContact CB-OD1 3.46Å
325	V	97.1	Very high	94.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.6	172.4	-61	0	0	0	0	109.5	L229 I230 Q233 I316 I317 Y318 F327	L229-V325 VanDerWaalsContact C-CG2 3.5Å; L229-V325 HydrophobicContact CB-CB 4.42Å; L229-V325 HydrophobicContact CB-CG1 3.85Å; L229-V325 HydrophobicContact CB-CG2 3.83Å; L229-V325 HydrophobicContact CD1-CG1 4.27Å; L229-V325 WeakPolarHBondContact O-CG2 3.45Å; I230-V325 HydrophobicContact CG1-CG1 4.4Å; I230-V325 HydrophobicContact CG1-CG2 4.33Å; Q233-V325 HydrophobicContact CB-CG2 3.82Å; Q233-V325 HydrophobicContact CG-CG2 4.32Å; I316-V325 HydrophobicContact CG2-CB 4.04Å; I316-V325 HydrophobicContact CG2-CG1 4.23Å; I317-V325 CarbonylContact O-C 3.56Å; I317-V325 VanDerWaalsContact O-CA 3.26Å; I317-V325 WeakPolarHBondContact O-CA 3.12Å; Y318-V325 HydrophobicContact CD2-CG1 3.89Å; V325-F327 HydrophobicContact CG2-CE1 4.23Å
326	Q	96.5	Very high	94.6	Very high	50 Å²	50	39.3 Å²	39.3	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.4	171.3	-63.7	-172.7	-69	0	0	109.1	I211 I317	I211-Q326 HydrophobicContact CG2-CB 4.09Å; I317-Q326 PolarHBondContact N-O 2.98Å; I317-Q326 PolarHBondContact O-N 3.43Å
327	F	97.4	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	157.6	175.6	-56.4	-21.6	0	0	0	109.8	I230 Q233 L234 I237 L311 N315 I316 V325 Y330	I230-F327 HydrophobicContact CG2-CE1 4.14Å; I230-F327 HydrophobicContact CG2-CZ 3.99Å; Q233-F327 HydrophobicContact CB-CE1 4.13Å; Q233-F327 HydrophobicContact CB-CE2 4.13Å; Q233-F327 HydrophobicContact CB-CZ 3.7Å; Q233-F327 HydrophobicContact CG-CD1 4.2Å; Q233-F327 HydrophobicContact CG-CD2 4.04Å; Q233-F327 HydrophobicContact CG-CE1 3.91Å; Q233-F327 HydrophobicContact CG-CE2 3.74Å; Q233-F327 HydrophobicContact CG-CG 4.25Å; Q233-F327 HydrophobicContact CG-CZ 3.67Å; L234-F327 HydrophobicContact CB-CE2 3.99Å; L234-F327 HydrophobicContact CB-CZ 4.21Å; L234-F327 HydrophobicContact CD1-CE2 3.95Å; I237-F327 HydrophobicContact CD1-CD2 3.51Å; I237-F327 HydrophobicContact CD1-CE2 3.97Å; L311-F327 HydrophobicContact CD1-CB 4.28Å; L311-F327 HydrophobicContact CD1-CD1 3.77Å; L311-F327 HydrophobicContact CD1-CD2 3.67Å; L311-F327 HydrophobicContact CD1-CE1 3.96Å; L311-F327 HydrophobicContact CD1-CE2 3.87Å; L311-F327 HydrophobicContact CD1-CG 3.64Å; L311-F327 HydrophobicContact CD1-CZ 4.01Å; L311-F327 HydrophobicContact CD2-CE1 4.41Å; L311-F327 HydrophobicContact CD2-CE2 3.98Å; L311-F327 HydrophobicContact CD2-CZ 3.88Å; N315-F327 CarbonylContact O-C 3.54Å; N315-F327 WeakPolarHBondContact O-CA 3.39Å; I316-F327 HydrophobicContact CB-CD1 4.4Å; I316-F327 HydrophobicContact CD1-CE1 4.44Å; I316-F327 HydrophobicContact CG1-CD1 3.99Å; I316-F327 HydrophobicContact CG1-CE1 4.04Å; I316-F327 HydrophobicContact CG2-CD1 4.14Å; I316-F327 HydrophobicContact CG2-CE1 4.05Å; V325-F327 HydrophobicContact CG2-CE1 4.23Å; F327-Y330 HydrophobicContact CB-CE1 4.27Å; F327-Y330 PolarHBondContact O-OH 2.96Å
328	I	94.7	Very high	94.7	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.195	20%	0.196	C	C	.	.			trans	-140.8	167.9	175.9	59.7	166.4	0	0	0	109.4	I211 H308 N315 I317	I211-I328 HydrophobicContact CG1-CG2 4.19Å; H308-I328 PolarHBondContact CE1-O 2.98Å; H308-I328 PolarHBondContact NE2-O 3.24Å; N315-I328 HydrophobicContact CB-CG1 4.44Å; N315-I328 WeakPolarHBondContact CB-O 3.39Å; N315-I328 PolarHBondContact O-N 3.33Å; I317-I328 HydrophobicContact CD1-CD1 3.78Å; I317-I328 HydrophobicContact CD1-CG1 4.4Å; I317-I328 HydrophobicContact CG1-CD1 3.98Å; I317-I328 HydrophobicContact CG1-CG1 4.21Å; I317-I328 HydrophobicContact CG1-CG2 4Å
329	D	91.6	Very high	94.7	Very high	35 Å²	35	37.6 Å²	37.6	19%	0.187	19%	0.186	C	C	.	.			trans	64.5	76.7	177	-147.9	0	0	0	0	115.1	R167 H308 E331	R167-D329 IonicContact NH1-OD1 3.61Å; R167-D329 PolarHBondContact NH1-OD1 2.95Å; H308-D329 PolarHBondContact CE1-O 3.11Å; H308-D329 VanDerWaalsContact CE1-O 3.26Å; H308-D329 PolarHBondContact NE2-O 3.3Å; D329-E331 VanDerWaalsContact C-N 3.32Å; D329-E331 PolarHBondContact O-N 3.25Å
330	Y	92.4	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.182	C	C	.	.			trans	-91.6	22.2	-172.7	-57.1	-75.2	0	0	0	114.2	F186 L189 C194 A195 H308 F327 Y332 S333	F186-Y330 HydrophobicContact CD2-CD2 4.01Å; F186-Y330 HydrophobicContact CE2-CD2 4.06Å; F186-Y330 HydrophobicContact CG-CD2 4.4Å; F186-Y330 HydrophobicContact CZ-CD2 4.47Å; L189-Y330 HydrophobicContact CD1-CD1 3.25Å; L189-Y330 HydrophobicContact CD1-CD2 4.49Å; L189-Y330 HydrophobicContact CD1-CE1 3.58Å; L189-Y330 HydrophobicContact CD1-CG 3.74Å; C194-Y330 PolarHBondContact O-OH 3.04Å; A195-Y330 HydrophobicContact CB-CD2 4.17Å; A195-Y330 HydrophobicContact CB-CE2 3.49Å; A195-Y330 VanDerWaalsContact CB-CE2 3.49Å; H308-Y330 AromaticContact CD2-CD1 3.58Å; H308-Y330 AromaticContact CD2-CE1 3.57Å; H308-Y330 AromaticContact NE2-CD1 3.68Å; H308-Y330 AromaticContact NE2-CE1 3.76Å; F327-Y330 HydrophobicContact CB-CE1 4.27Å; F327-Y330 PolarHBondContact O-OH 2.96Å; Y330-Y332 VanDerWaalsContact C-N 3.25Å; Y330-Y332 PolarHBondContact O-N 2.84Å; Y330-S333 WeakPolarHBondContact CA-OG 3.5Å; Y330-S333 WeakPolarHBondContact CB-OG 3.29Å; Y330-S333 VanDerWaalsContact O-CB 3.27Å; Y330-S333 WeakPolarHBondContact O-CB 3.43Å; Y330-S333 PolarHBondContact O-N 2.92Å; Y330-S333 PolarHBondContact O-OG 3.47Å
331	E	90.8	Very high	95.1	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.033	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.3	-170.9	76.7	178	171.5	0	0	113.3	T148 N149 V177 R179 E182 D329	T148-E331 WeakPolarHBondContact CB-OE1 3.27Å; T148-E331 WeakPolarHBondContact CG2-OE1 3.27Å; T148-E331 PolarHBondContact OG1-OE1 3.48Å; N149-E331 PolarHBondContact ND2-OE2 2.81Å; V177-E331 HydrophobicContact CG1-CB 4.1Å; V177-E331 WeakPolarHBondContact CG1-O 3.34Å; V177-E331 HydrophobicContact CG2-CB 4.46Å; V177-E331 HydrophobicContact CG2-CG 4.25Å; R179-E331 IonicContact NH1-OE2 3.96Å; R179-E331 PolarHBondContact NH1-OE2 3.48Å; E182-E331 WeakPolarHBondContact OE1-CA 3.31Å; E182-E331 WeakPolarHBondContact OE1-CB 3.45Å; D329-E331 VanDerWaalsContact C-N 3.32Å; D329-E331 PolarHBondContact O-N 3.25Å
332	Y	93.4	Very high	95.4	Very high	5 Å²	5	20 Å²	20	2%	0.02	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-2.5	174.8	-67.5	-73	0	0	0	113.7	V177 H308 N309 D310 Y330 W410 W413	V177-Y332 HydrophobicContact CG2-CE1 4.13Å; H308-Y332 CarbonylContact O-C 3.56Å; N309-Y332 WeakPolarHBondContact CB-O 3.34Å; N309-Y332 PolarHBondContact ND2-O 2.93Å; D310-Y332 HydrophobicContact CB-CD2 3.76Å; D310-Y332 HydrophobicContact CB-CG 4.24Å; Y330-Y332 VanDerWaalsContact C-N 3.25Å; Y330-Y332 PolarHBondContact O-N 2.84Å; Y332-W410 AromaticContact CD2-CH2 3.75Å; Y332-W410 HydrophobicContact CD2-CH2 3.75Å; Y332-W410 HydrophobicContact CE1-CH2 4.44Å; Y332-W410 AromaticContact CE2-CH2 3.65Å; Y332-W410 HydrophobicContact CE2-CH2 3.65Å; Y332-W410 HydrophobicContact CE2-CZ3 4.11Å; Y332-W410 HydrophobicContact CG-CH2 4.19Å; Y332-W413 AromaticContact CZ-NE1 3.9Å; Y332-W413 PolarHBondContact OH-NE1 3.48Å
333	S	94.8	Very high	95.8	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.021	8%	0.076	C	C	.	.			trans	-64.7	140.1	-174.3	-66	0	0	0	0	112.8	S185 C307 H308 Y330	S185-S333 PolarHBondContact OG-O 3.31Å; C307-S333 VanDerWaalsContact O-CA 3.22Å; C307-S333 WeakPolarHBondContact O-CA 3.47Å; C307-S333 WeakPolarHBondContact O-CB 3.42Å; H308-S333 WeakPolarHBondContact O-CA 3.24Å; H308-S333 PolarHBondContact O-N 3.01Å; H308-S333 PolarHBondContact O-OG 3.28Å; Y330-S333 WeakPolarHBondContact CA-OG 3.5Å; Y330-S333 WeakPolarHBondContact CB-OG 3.29Å; Y330-S333 VanDerWaalsContact O-CB 3.27Å; Y330-S333 WeakPolarHBondContact O-CB 3.43Å; Y330-S333 PolarHBondContact O-N 2.92Å; Y330-S333 PolarHBondContact O-OG 3.47Å
334	G	93.1	Very high	96	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	179.6	179.8	0	0	0	0	0	112.3	C307 N309 N336	C307-G334 PolarHBondContact N-O 3.42Å; C307-G334 PolarHBondContact O-N 3.41Å; N309-G334 PolarHBondContact ND2-N 2.94Å; N309-G334 PolarHBondContact ND2-O 3.35Å; G334-N336 PolarHBondContact O-N 3.26Å
335	Y	94.1	Very high	96.1	Very high	14 Å²	14	9.3 Å²	9.3	6%	0.055	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.2	-178.8	-70.8	-65.3	0	0	0	111.9	I94 A242 P248 K249 S250 N251 V305 L306	I94-Y335 HydrophobicContact CG1-CD2 4.14Å; I94-Y335 HydrophobicContact CG1-CE2 3.94Å; A242-Y335 VanDerWaalsContact CA-OH 3.23Å; A242-Y335 WeakPolarHBondContact CA-OH 3.21Å; A242-Y335 HydrophobicContact CB-CE1 4.01Å; A242-Y335 WeakPolarHBondContact CB-OH 3.1Å; P248-Y335 HydrophobicContact CB-CD1 3.56Å; P248-Y335 HydrophobicContact CB-CD2 4.46Å; P248-Y335 HydrophobicContact CB-CE1 3.93Å; P248-Y335 HydrophobicContact CB-CG 3.88Å; P248-Y335 HydrophobicContact CG-CD1 4.04Å; P248-Y335 HydrophobicContact CG-CE1 3.89Å; K249-Y335 WeakPolarHBondContact O-CB 3.27Å; S250-Y335 WeakPolarHBondContact CA-O 3.45Å; N251-Y335 PolarHBondContact N-O 2.86Å; V305-Y335 VanDerWaalsContact O-CA 3.3Å; V305-Y335 WeakPolarHBondContact O-CA 3.26Å; L306-Y335 HydrophobicContact CB-CD1 4.44Å; L306-Y335 HydrophobicContact CB-CE1 4.2Å
336	N	96.6	Very high	96.2	Very high	3 Å²	3	9 Å²	9	2%	0.016	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	176.1	177.9	-157.9	1.8	0	0	0	111.1	S250 L252 V304 V305 C307 N309 G334 L338 Y340	S250-N336 PolarHBondContact OG-OD1 3.21Å; L252-N336 WeakPolarHBondContact CB-OD1 3.16Å; V304-N336 CarbonylContact C-O 3.48Å; V304-N336 VanDerWaalsContact CA-O 3.25Å; V304-N336 WeakPolarHBondContact CA-O 3.41Å; V305-N336 PolarHBondContact N-O 3.37Å; V305-N336 PolarHBondContact O-N 2.96Å; V305-N336 VanDerWaalsContact O-O 3.11Å; C307-N336 HydrophobicContact CB-CB 4Å; N309-N336 WeakPolarHBondContact OD1-CB 3.5Å; N309-N336 PolarHBondContact OD1-ND2 3.23Å; G334-N336 PolarHBondContact O-N 3.26Å; N336-L338 PolarHBondContact O-N 3.3Å; N336-Y340 WeakPolarHBondContact ND2-CD1 3.35Å; N336-Y340 WeakPolarHBondContact ND2-CE1 3.19Å
337	Y	97.9	Very high	96.3	Very high	26 Å²	26	6.7 Å²	6.7	10%	0.102	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.1	175	-58.7	-83.3	0	0	0	109.9	S250 L252 W253 S298 P303 V304 A339 Y340 D341 F402	S250-Y337 VanDerWaalsContact CB-CE2 3.49Å; L252-Y337 HydrophobicContact CD2-CD2 4.21Å; L252-Y337 HydrophobicContact CD2-CE2 4.46Å; W253-Y337 HydrophobicContact CZ2-CE2 4.2Å; W253-Y337 AromaticContact NE1-CE2 3.61Å; W253-Y337 AromaticContact NE1-CZ 3.86Å; W253-Y337 PolarHBondContact NE1-OH 2.88Å; S298-Y337 PolarHBondContact OG-OH 3.5Å; P303-Y337 WeakPolarHBondContact O-CA 3.41Å; V304-Y337 HydrophobicContact CG2-CD1 4.04Å; V304-Y337 HydrophobicContact CG2-CE1 4.05Å; Y337-A339 PolarHBondContact O-N 3.44Å; Y337-Y340 WeakPolarHBondContact O-CA 3.46Å; Y337-Y340 VanDerWaalsContact O-CB 3.25Å; Y337-Y340 WeakPolarHBondContact O-CB 3.39Å; Y337-Y340 PolarHBondContact O-N 3.48Å; Y337-D341 PolarHBondContact O-N 3.02Å; Y337-F402 HydrophobicContact CD1-CE1 4.16Å; Y337-F402 HydrophobicContact CD1-CE2 4.44Å; Y337-F402 AromaticContact CD1-CZ 3.63Å; Y337-F402 HydrophobicContact CD1-CZ 3.63Å; Y337-F402 HydrophobicContact CD2-CD1 4.36Å; Y337-F402 AromaticContact CD2-CE1 3.38Å; Y337-F402 HydrophobicContact CD2-CE1 3.38Å; Y337-F402 AromaticContact CD2-CZ 3.75Å; Y337-F402 HydrophobicContact CD2-CZ 3.75Å; Y337-F402 HydrophobicContact CE1-CZ 4.1Å; Y337-F402 AromaticContact CE2-CE1 3.96Å; Y337-F402 HydrophobicContact CE2-CE1 3.96Å; Y337-F402 HydrophobicContact CE2-CZ 4.21Å; Y337-F402 HydrophobicContact CG-CD1 4.43Å; Y337-F402 AromaticContact CG-CE1 3.49Å; Y337-F402 HydrophobicContact CG-CE1 3.49Å; Y337-F402 VanDerWaalsContact CG-CE1 3.49Å; Y337-F402 HydrophobicContact CG-CE2 4.33Å; Y337-F402 AromaticContact CG-CZ 3.42Å; Y337-F402 HydrophobicContact CG-CZ 3.42Å; Y337-F402 VanDerWaalsContact CG-CZ 3.42Å
338	L	97.7	Very high	96.2	Very high	6 Å²	6	6.9 Å²	6.9	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-49.4	-43.3	174.4	173.2	159.6	0	0	0	112.1	S302 P303 V305 N336 Y340 D341 I342 Y373 Y377 L395	S302-L338 PolarHBondContact OG-N 3.24Å; P303-L338 PolarHBondContact O-N 3.06Å; V305-L338 HydrophobicContact CG2-CB 3.78Å; V305-L338 HydrophobicContact CG2-CG 4.48Å; N336-L338 PolarHBondContact O-N 3.3Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.29Å; L338-D341 PolarHBondContact O-N 3.47Å; L338-I342 HydrophobicContact CD2-CD1 3.56Å; L338-I342 HydrophobicContact CG-CD1 4.39Å; L338-I342 PolarHBondContact O-N 2.92Å; L338-Y373 HydrophobicContact CD1-CE1 4.09Å; L338-Y373 WeakPolarHBondContact CD1-OH 3.21Å; L338-Y373 HydrophobicContact CD2-CE1 4.03Å; L338-Y373 HydrophobicContact CG-CE1 4.35Å; L338-Y373 WeakPolarHBondContact CG-OH 3.46Å; L338-Y377 HydrophobicContact CD1-CE2 4.48Å; L338-L395 HydrophobicContact CD2-CD1 3.61Å
339	A	98.5	Very high	96.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.8	-27.2	179.5	0	0	0	0	0	113.3	S302 Y337 G343 Q398 V399 F402	S302-A339 WeakPolarHBondContact OG-CB 3.13Å; S302-A339 PolarHBondContact OG-N 3.4Å; S302-A339 VanDerWaalsContact OG-N 3.16Å; Y337-A339 PolarHBondContact O-N 3.44Å; A339-G343 PolarHBondContact O-N 2.86Å; A339-Q398 HydrophobicContact CB-CB 3.77Å; A339-V399 HydrophobicContact CB-CG2 4.07Å; A339-F402 HydrophobicContact CB-CB 4.21Å; A339-F402 HydrophobicContact CB-CD2 3.57Å; A339-F402 HydrophobicContact CB-CE2 4.25Å; A339-F402 HydrophobicContact CB-CG 4.11Å
340	Y	98.7	Very high	96.4	Very high	1 Å²	1	3.5 Å²	3.5	0%	0.004	2%	0.016	C	C	.	.	H	α-helix	trans	-65.7	-44.9	172.2	175.9	-84.3	0	0	0	111.3	L252 N309 N336 Y337 L338 I342 G343 N344 F402 A405 F409	L252-Y340 HydrophobicContact CD1-CD2 4.14Å; L252-Y340 HydrophobicContact CD1-CE2 3.61Å; L252-Y340 HydrophobicContact CD2-CD2 3.67Å; L252-Y340 HydrophobicContact CD2-CE2 3.99Å; L252-Y340 HydrophobicContact CD2-CG 4.32Å; L252-Y340 HydrophobicContact CG-CE2 4.47Å; N309-Y340 HydrophobicContact CB-CE1 4.37Å; N336-Y340 WeakPolarHBondContact ND2-CD1 3.35Å; N336-Y340 WeakPolarHBondContact ND2-CE1 3.19Å; Y337-Y340 WeakPolarHBondContact O-CA 3.46Å; Y337-Y340 VanDerWaalsContact O-CB 3.25Å; Y337-Y340 WeakPolarHBondContact O-CB 3.39Å; Y337-Y340 PolarHBondContact O-N 3.48Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 3.29Å; Y340-I342 VanDerWaalsContact C-N 3.35Å; Y340-I342 PolarHBondContact O-N 3.34Å; Y340-G343 PolarHBondContact O-N 3.45Å; Y340-N344 HydrophobicContact CE1-CB 4.4Å; Y340-N344 WeakPolarHBondContact O-CB 3.43Å; Y340-N344 PolarHBondContact O-N 3.38Å; Y340-F402 HydrophobicContact CD2-CD1 4.5Å; Y340-A405 HydrophobicContact CD2-CB 3.99Å; Y340-A405 HydrophobicContact CE2-CB 4.09Å; Y340-F409 WeakPolarHBondContact OH-CB 3.39Å; Y340-F409 WeakPolarHBondContact OH-CG 3.44Å
341	D	98.7	Very high	96.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.7	-40.5	-175.9	-149.8	11.6	0	0	0	111.6	H238 C307 H308 N309 Y337 L338 H345	H238-D341 IonicContact CE1-OD2 3.81Å; H238-D341 IonicContact NE2-OD2 2.77Å; H238-D341 PolarHBondContact NE2-OD2 2.88Å; H238-D341 VanDerWaalsContact NE2-OD2 3.08Å; C307-D341 VanDerWaalsContact CA-OD2 3.26Å; C307-D341 WeakPolarHBondContact CA-OD2 3.33Å; C307-D341 HydrophobicContact CB-CB 3.98Å; C307-D341 VanDerWaalsContact CB-OD2 3.23Å; C307-D341 WeakPolarHBondContact CB-OD2 2.97Å; H308-D341 PolarHBondContact N-OD2 2.84Å; N309-D341 VanDerWaalsContact CA-OD1 3.26Å; N309-D341 WeakPolarHBondContact CA-OD1 2.79Å; N309-D341 PolarHBondContact N-OD1 3.12Å; Y337-D341 PolarHBondContact O-N 3.02Å; L338-D341 PolarHBondContact O-N 3.47Å; D341-H345 PolarHBondContact O-N 2.87Å
342	I	98.8	Very high	96.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.6	-46.4	174	-57.4	169.5	0	0	0	110.9	L234 L338 Y340 N344 H345 F346 W369 L370 Y373 L395 V399	L234-I342 HydrophobicContact CD2-CG1 3.97Å; L338-I342 HydrophobicContact CD2-CD1 3.56Å; L338-I342 HydrophobicContact CG-CD1 4.39Å; L338-I342 PolarHBondContact O-N 2.92Å; Y340-I342 VanDerWaalsContact C-N 3.35Å; Y340-I342 PolarHBondContact O-N 3.34Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.87Å; I342-H345 WeakPolarHBondContact O-CB 3.48Å; I342-H345 PolarHBondContact O-N 3.21Å; I342-H345 VanDerWaalsContact O-N 3.12Å; I342-F346 HydrophobicContact CG2-CD1 4.49Å; I342-F346 HydrophobicContact CG2-CD2 4.34Å; I342-F346 HydrophobicContact CG2-CE1 4.05Å; I342-F346 HydrophobicContact CG2-CE2 3.88Å; I342-F346 HydrophobicContact CG2-CZ 3.71Å; I342-F346 PolarHBondContact O-N 3.35Å; I342-W369 HydrophobicContact CB-CH2 4.45Å; I342-W369 HydrophobicContact CB-CZ3 4.28Å; I342-W369 HydrophobicContact CD1-CH2 4.45Å; I342-W369 HydrophobicContact CD1-CZ3 3.94Å; I342-W369 HydrophobicContact CG1-CH2 3.96Å; I342-W369 HydrophobicContact CG1-CZ3 3.87Å; I342-W369 HydrophobicContact CG2-CE3 4.01Å; I342-W369 HydrophobicContact CG2-CH2 3.89Å; I342-W369 HydrophobicContact CG2-CZ3 3.44Å; I342-W369 VanDerWaalsContact CG2-CZ3 3.44Å; I342-L370 HydrophobicContact CD1-CD2 4.37Å; I342-L370 HydrophobicContact CG2-CD2 3.86Å; I342-Y373 HydrophobicContact CD1-CD1 4.05Å; I342-Y373 HydrophobicContact CD1-CD2 4.27Å; I342-Y373 HydrophobicContact CD1-CE1 4.01Å; I342-Y373 HydrophobicContact CD1-CE2 4.19Å; I342-Y373 HydrophobicContact CD1-CG 4.22Å; I342-L395 HydrophobicContact CD1-CD1 4.42Å; I342-L395 HydrophobicContact CD1-CD2 4.29Å; I342-V399 HydrophobicContact CB-CG1 4.23Å; I342-V399 HydrophobicContact CB-CG2 3.85Å; I342-V399 HydrophobicContact CD1-CG2 4.14Å; I342-V399 HydrophobicContact CG2-CB 4.49Å; I342-V399 HydrophobicContact CG2-CG1 3.75Å; I342-V399 HydrophobicContact CG2-CG2 3.84Å
343	G	98.6	Very high	95.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63	-36	179.3	0	0	0	0	0	112.1	A339 Y340 F346 N347	A339-G343 PolarHBondContact O-N 2.86Å; Y340-G343 PolarHBondContact O-N 3.45Å; G343-F346 PolarHBondContact O-N 3.31Å; G343-N347 PolarHBondContact O-N 3.23Å; G343-N347 VanDerWaalsContact O-N 3.11Å
344	N	98.6	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-52.8	170	-173.8	76.7	0	0	0	110.6	L311 Y340 I342 F346 N347 E348 S406 W410	L311-N344 PolarHBondContact N-ND2 2.99Å; Y340-N344 HydrophobicContact CE1-CB 4.4Å; Y340-N344 WeakPolarHBondContact O-CB 3.43Å; Y340-N344 PolarHBondContact O-N 3.38Å; I342-N344 VanDerWaalsContact C-N 3.26Å; I342-N344 PolarHBondContact O-N 2.87Å; N344-F346 VanDerWaalsContact C-N 3.26Å; N344-F346 PolarHBondContact O-N 3.22Å; N344-N347 WeakPolarHBondContact O-CB 3.22Å; N344-N347 PolarHBondContact O-N 3.36Å; N344-E348 WeakPolarHBondContact O-CG 3.21Å; N344-E348 PolarHBondContact O-N 2.83Å; N344-E348 VanDerWaalsContact O-N 3.16Å; N344-S406 PolarHBondContact OD1-OG 3.28Å; N344-W410 PolarHBondContact OD1-NE1 3.21Å
345	H	98.6	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.6	-41.5	178.4	-178.8	53.8	0	0	0	112.8	L311 D341 I342 E348 F349 W369	L311-H345 HydrophobicContact CB-CB 4.28Å; L311-H345 HydrophobicContact CD2-CB 4.17Å; L311-H345 PolarHBondContact O-ND1 3.44Å; D341-H345 PolarHBondContact O-N 2.87Å; I342-H345 WeakPolarHBondContact O-CB 3.48Å; I342-H345 PolarHBondContact O-N 3.21Å; I342-H345 VanDerWaalsContact O-N 3.12Å; H345-E348 PolarHBondContact O-N 2.91Å; H345-E348 VanDerWaalsContact O-N 3.14Å; H345-F349 AromaticContact CD2-CE1 3.98Å; H345-F349 AromaticContact NE2-CE1 3.61Å; H345-F349 WeakPolarHBondContact O-CD1 3.34Å; H345-W369 AromaticContact CD2-CZ2 3.87Å
346	F	98.5	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-37	175.7	-68.7	-9.9	0	0	0	113.3	I342 G343 N344 E348 F349 Y360 P361 Q366 W369 L370 V399	I342-F346 HydrophobicContact CG2-CD1 4.49Å; I342-F346 HydrophobicContact CG2-CD2 4.34Å; I342-F346 HydrophobicContact CG2-CE1 4.05Å; I342-F346 HydrophobicContact CG2-CE2 3.88Å; I342-F346 HydrophobicContact CG2-CZ 3.71Å; I342-F346 PolarHBondContact O-N 3.35Å; G343-F346 PolarHBondContact O-N 3.31Å; N344-F346 VanDerWaalsContact C-N 3.26Å; N344-F346 PolarHBondContact O-N 3.22Å; F346-E348 PolarHBondContact O-N 2.83Å; F346-F349 HydrophobicContact CD1-CE1 4.2Å; F346-F349 WeakPolarHBondContact O-CB 3.36Å; F346-F349 PolarHBondContact O-N 3.46Å; F346-Y360 HydrophobicContact CB-CD2 4.47Å; F346-Y360 HydrophobicContact CB-CE2 3.75Å; F346-Y360 WeakPolarHBondContact O-CD2 3.41Å; F346-P361 HydrophobicContact CB-CG 3.79Å; F346-P361 HydrophobicContact CD1-CG 3.89Å; F346-P361 HydrophobicContact CD2-CG 4.09Å; F346-P361 HydrophobicContact CE1-CG 4.49Å; F346-P361 HydrophobicContact CG-CG 3.67Å; F346-Q366 HydrophobicContact CD2-CG 3.96Å; F346-Q366 HydrophobicContact CE2-CB 4.13Å; F346-Q366 HydrophobicContact CE2-CG 3.61Å; F346-Q366 HydrophobicContact CZ-CB 4.49Å; F346-Q366 HydrophobicContact CZ-CG 4.18Å; F346-W369 HydrophobicContact CE1-CB 4.35Å; F346-W369 AromaticContact CE1-CD2 3.65Å; F346-W369 HydrophobicContact CE1-CD2 3.65Å; F346-W369 AromaticContact CE1-CE2 3.98Å; F346-W369 AromaticContact CE1-CE3 3.95Å; F346-W369 HydrophobicContact CE1-CE3 3.95Å; F346-W369 AromaticContact CE1-CG 3.81Å; F346-W369 HydrophobicContact CE1-CG 3.81Å; F346-W369 HydrophobicContact CZ-CB 4.19Å; F346-W369 AromaticContact CZ-CD2 3.84Å; F346-W369 HydrophobicContact CZ-CD2 3.84Å; F346-W369 AromaticContact CZ-CE3 3.75Å; F346-W369 HydrophobicContact CZ-CE3 3.75Å; F346-W369 HydrophobicContact CZ-CG 4.03Å; F346-W369 HydrophobicContact CZ-CZ3 4.47Å; F346-L370 HydrophobicContact CE2-CD2 4.27Å; F346-L370 HydrophobicContact CE2-CG 4.48Å; F346-L370 HydrophobicContact CZ-CD2 4.14Å; F346-L370 HydrophobicContact CZ-CG 4.34Å; F346-V399 HydrophobicContact CD2-CG1 3.62Å; F346-V399 HydrophobicContact CE2-CG1 3.63Å
347	N	98	Very high	95.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-33.7	172.7	-72.4	-21.4	0	0	0	112	G343 N344 F349 A350 Y360 A403 S406 H407	G343-N347 PolarHBondContact O-N 3.23Å; G343-N347 VanDerWaalsContact O-N 3.11Å; N344-N347 WeakPolarHBondContact O-CB 3.22Å; N344-N347 PolarHBondContact O-N 3.36Å; N347-F349 PolarHBondContact O-N 3Å; N347-A350 WeakPolarHBondContact O-CB 3.45Å; N347-A350 PolarHBondContact O-N 3.43Å; N347-Y360 WeakPolarHBondContact OD1-CE2 3.43Å; N347-A403 PolarHBondContact ND2-O 2.9Å; N347-S406 WeakPolarHBondContact ND2-CB 3.05Å; N347-S406 PolarHBondContact ND2-OG 3.18Å; N347-H407 VanDerWaalsContact CG-CE1 3.41Å; N347-H407 PolarHBondContact OD1-CE1 2.99Å; N347-H407 PolarHBondContact OD1-NE2 3.45Å; N347-H407 VanDerWaalsContact OD1-NE2 3.14Å
348	E	96.4	Very high	95.1	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-75.3	-5.1	-178.5	-58.4	-54.1	133.4	0	0	113.9	L312 N344 H345 F346 A350 G351 V352 R434	L312-E348 HydrophobicContact CB-CB 4.06Å; L312-E348 HydrophobicContact CB-CG 3.77Å; L312-E348 WeakPolarHBondContact CB-OE2 3.46Å; N344-E348 WeakPolarHBondContact O-CG 3.21Å; N344-E348 PolarHBondContact O-N 2.83Å; N344-E348 VanDerWaalsContact O-N 3.16Å; H345-E348 PolarHBondContact O-N 2.91Å; H345-E348 VanDerWaalsContact O-N 3.14Å; F346-E348 PolarHBondContact O-N 2.83Å; E348-A350 PolarHBondContact O-N 3.4Å; E348-G351 PolarHBondContact O-N 2.69Å; E348-G351 VanDerWaalsContact O-N 3.15Å; E348-V352 WeakPolarHBondContact OE2-CG2 3.45Å; E348-R434 IonicContact OE1-CZ 3.47Å; E348-R434 IonicContact OE1-NH1 3.12Å; E348-R434 PolarHBondContact OE1-NH1 2.89Å; E348-R434 IonicContact OE1-NH2 2.66Å
349	F	95.9	Very high	94.9	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25	167.3	-79.8	47.5	0	0	0	111.3	P218 V221 H345 F346 N347 G351 L359 P361 L365	P218-F349 WeakPolarHBondContact CB-O 3.4Å; V221-F349 HydrophobicContact CB-CD1 4.44Å; V221-F349 HydrophobicContact CB-CE1 3.93Å; V221-F349 HydrophobicContact CB-CE2 4.18Å; V221-F349 HydrophobicContact CB-CZ 3.78Å; V221-F349 HydrophobicContact CG2-CD1 3.74Å; V221-F349 HydrophobicContact CG2-CD2 3.76Å; V221-F349 HydrophobicContact CG2-CE1 3.72Å; V221-F349 HydrophobicContact CG2-CE2 3.73Å; V221-F349 HydrophobicContact CG2-CG 3.76Å; V221-F349 HydrophobicContact CG2-CZ 3.71Å; V221-F349 WeakPolarHBondContact O-CZ 3.32Å; H345-F349 AromaticContact CD2-CE1 3.98Å; H345-F349 AromaticContact NE2-CE1 3.61Å; H345-F349 WeakPolarHBondContact O-CD1 3.34Å; F346-F349 HydrophobicContact CD1-CE1 4.2Å; F346-F349 WeakPolarHBondContact O-CB 3.36Å; F346-F349 PolarHBondContact O-N 3.46Å; N347-F349 PolarHBondContact O-N 3Å; F349-G351 PolarHBondContact O-N 2.87Å; F349-L359 WeakPolarHBondContact CB-O 3.27Å; F349-L359 WeakPolarHBondContact O-CB 3.47Å; F349-P361 HydrophobicContact CD2-CB 4.21Å; F349-P361 HydrophobicContact CD2-CG 4.29Å; F349-P361 HydrophobicContact CE2-CB 4.16Å; F349-P361 HydrophobicContact CE2-CG 4.41Å; F349-L365 HydrophobicContact CE2-CD2 4.23Å
350	A	95.3	Very high	94.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-73.5	-13.5	176.1	0	0	0	0	0	113.2	N347 E348 V355 D356 Y357	N347-A350 WeakPolarHBondContact O-CB 3.45Å; N347-A350 PolarHBondContact O-N 3.43Å; E348-A350 PolarHBondContact O-N 3.4Å; A350-V355 HydrophobicContact CB-CG1 4.01Å; A350-V355 CarbonylContact O-C 3.53Å; A350-V355 WeakPolarHBondContact O-CA 3.49Å; A350-D356 WeakPolarHBondContact CA-O 3.38Å; A350-D356 WeakPolarHBondContact CB-O 3.33Å; A350-D356 PolarHBondContact O-N 3.17Å; A350-Y357 HydrophobicContact CB-CD1 3.49Å; A350-Y357 VanDerWaalsContact CB-CD1 3.49Å; A350-Y357 HydrophobicContact CB-CE1 3.74Å; A350-Y357 HydrophobicContact CB-CG 4.24Å
351	G	91.9	Very high	94.7	Very high	13 Å²	13	31.3 Å²	31.3	13%	0.134	18%	0.183	C	C	.	.			trans	76.3	172.7	-172.3	0	0	0	0	0	113.7	E348 F349	E348-G351 PolarHBondContact O-N 2.69Å; E348-G351 VanDerWaalsContact O-N 3.15Å; F349-G351 PolarHBondContact O-N 2.87Å
352	V	87.3	Confident	94.6	Very high	29 Å²	29	36 Å²	36	18%	0.176	21%	0.208	C	C	.	.	S	Bend	trans	-110.3	-50.9	-174.7	-178.7	0	0	0	0	112	L312 E348 V355 F425 Y430	L312-V352 HydrophobicContact CD2-CG2 4.47Å; E348-V352 WeakPolarHBondContact OE2-CG2 3.45Å; V352-V355 WeakPolarHBondContact O-CG2 2.84Å; V352-F425 HydrophobicContact CG1-CE2 4.25Å; V352-F425 HydrophobicContact CG1-CZ 4.1Å; V352-Y430 HydrophobicContact CG1-CE2 4.15Å
353	S	84	Confident	94.5	Very high	99 Å²	99	42.6 Å²	42.6	69%	0.692	23%	0.233	S	C	*	.	S	Bend	trans	-73.5	-46.6	-178.9	-53.7	0	0	0	0	112.2
354	D	87.4	Confident	94.4	Very high	147 Å²	147	49.1 Å²	49.1	79%	0.786	26%	0.264	S	S	*	.	S	Bend	trans	-117.9	81	178.9	-63.1	-55.5	0	0	0	108.6	D356	D354-D356 PolarHBondContact O-N 2.96Å
355	V	92.9	Very high	94.4	Very high	45 Å²	45	50.6 Å²	50.6	27%	0.273	27%	0.271	S	S	.	.			trans	-69	117.4	-174.2	-175.4	0	0	0	0	111.1	A350 V352 Y357 Y430 V433	A350-V355 HydrophobicContact CB-CG1 4.01Å; A350-V355 CarbonylContact O-C 3.53Å; A350-V355 WeakPolarHBondContact O-CA 3.49Å; V352-V355 WeakPolarHBondContact O-CG2 2.84Å; V355-Y357 HydrophobicContact CG1-CD1 4.42Å; V355-Y357 HydrophobicContact CG1-CD2 3.98Å; V355-Y357 HydrophobicContact CG1-CE1 4.04Å; V355-Y357 HydrophobicContact CG1-CE2 3.61Å; V355-Y357 HydrophobicContact CG1-CG 4.37Å; V355-Y430 HydrophobicContact CG2-CD2 4.15Å; V355-Y430 HydrophobicContact CG2-CE2 4.07Å; V355-V433 HydrophobicContact CB-CG1 4.09Å; V355-V433 HydrophobicContact CG1-CG1 3.77Å; V355-V433 HydrophobicContact CG2-CG1 4.31Å
356	D	93.9	Very high	94.4	Very high	72 Å²	72	50.9 Å²	50.9	39%	0.385	27%	0.272	S	S	.	.			trans	-126.6	94.5	173.6	-176.5	2	0	0	0	111.6	A350 D354 S358 L359	A350-D356 WeakPolarHBondContact CA-O 3.38Å; A350-D356 WeakPolarHBondContact CB-O 3.33Å; A350-D356 PolarHBondContact O-N 3.17Å; D354-D356 PolarHBondContact O-N 2.96Å; D356-S358 PolarHBondContact O-N 3.42Å; D356-S358 VanDerWaalsContact O-N 3.12Å; D356-S358 WeakPolarHBondContact OD1-CB 3.33Å; D356-S358 PolarHBondContact OD1-N 3.37Å; D356-S358 PolarHBondContact OD1-OG 2.99Å; D356-S358 PolarHBondContact OD2-OG 3.28Å; D356-S358 VanDerWaalsContact OD2-OG 3.04Å; D356-L359 HydrophobicContact CB-CD1 4.08Å; D356-L359 HydrophobicContact CB-CG 4.17Å; D356-L359 WeakPolarHBondContact O-CB 3.33Å; D356-L359 PolarHBondContact O-N 2.83Å
357	Y	93.8	Very high	94.4	Very high	40 Å²	40	52.2 Å²	52.2	16%	0.157	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-68.9	-4.8	178.1	-69.6	-59.2	0	0	0	114.6	A350 V355 L359 Y360 H407 V433 R434 Q437	A350-Y357 HydrophobicContact CB-CD1 3.49Å; A350-Y357 VanDerWaalsContact CB-CD1 3.49Å; A350-Y357 HydrophobicContact CB-CE1 3.74Å; A350-Y357 HydrophobicContact CB-CG 4.24Å; V355-Y357 HydrophobicContact CG1-CD1 4.42Å; V355-Y357 HydrophobicContact CG1-CD2 3.98Å; V355-Y357 HydrophobicContact CG1-CE1 4.04Å; V355-Y357 HydrophobicContact CG1-CE2 3.61Å; V355-Y357 HydrophobicContact CG1-CG 4.37Å; Y357-L359 PolarHBondContact O-N 3.12Å; Y357-Y360 WeakPolarHBondContact O-CB 3.41Å; Y357-Y360 PolarHBondContact O-N 2.84Å; Y357-H407 AromaticContact CE1-CE1 3.57Å; Y357-H407 AromaticContact CZ-CE1 3.82Å; Y357-V433 HydrophobicContact CE2-CG1 3.57Å; Y357-R434 WeakPolarHBondContact OH-CD 3.43Å; Y357-Q437 HydrophobicContact CD1-CG 3.95Å; Y357-Q437 HydrophobicContact CD2-CB 4.06Å; Y357-Q437 HydrophobicContact CD2-CG 3.83Å; Y357-Q437 HydrophobicContact CE1-CB 4.34Å; Y357-Q437 HydrophobicContact CE1-CG 3.77Å; Y357-Q437 HydrophobicContact CE2-CB 3.45Å; Y357-Q437 VanDerWaalsContact CE2-CB 3.45Å; Y357-Q437 HydrophobicContact CE2-CG 3.59Å; Y357-Q437 HydrophobicContact CG-CG 3.99Å
358	S	92.9	Very high	94.4	Very high	95 Å²	95	55.6 Å²	55.6	66%	0.664	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.5	167.8	78.5	0	0	0	0	112.4	D356	D356-S358 PolarHBondContact O-N 3.42Å; D356-S358 VanDerWaalsContact O-N 3.12Å; D356-S358 WeakPolarHBondContact OD1-CB 3.33Å; D356-S358 PolarHBondContact OD1-N 3.37Å; D356-S358 PolarHBondContact OD1-OG 2.99Å; D356-S358 PolarHBondContact OD2-OG 3.28Å; D356-S358 VanDerWaalsContact OD2-OG 3.04Å
359	L	94.7	Very high	94.5	Very high	69 Å²	69	55.4 Å²	55.4	36%	0.361	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-84.4	-8.2	175.5	-57.3	178	0	0	0	113.6	P218 F349 D356 Y357	P218-L359 HydrophobicContact CB-CD1 4.03Å; F349-L359 WeakPolarHBondContact CB-O 3.27Å; F349-L359 WeakPolarHBondContact O-CB 3.47Å; D356-L359 HydrophobicContact CB-CD1 4.08Å; D356-L359 HydrophobicContact CB-CG 4.17Å; D356-L359 WeakPolarHBondContact O-CB 3.33Å; D356-L359 PolarHBondContact O-N 2.83Å; Y357-L359 PolarHBondContact O-N 3.12Å
360	Y	95.9	Very high	94.7	Very high	36 Å²	36	55.4 Å²	55.4	14%	0.141	30%	0.297	C	S	.	.	S	Bend	trans	-56.6	132	175.4	-173.9	-89.7	0	0	0	109.4	F346 N347 Y357 D362 N400 M441	F346-Y360 HydrophobicContact CB-CD2 4.47Å; F346-Y360 HydrophobicContact CB-CE2 3.75Å; F346-Y360 WeakPolarHBondContact O-CD2 3.41Å; N347-Y360 WeakPolarHBondContact OD1-CE2 3.43Å; Y357-Y360 WeakPolarHBondContact O-CB 3.41Å; Y357-Y360 PolarHBondContact O-N 2.84Å; Y360-D362 PolarHBondContact O-N 2.92Å; Y360-N400 PolarHBondContact OH-OD1 3.26Å; Y360-M441 HydrophobicContact CE1-CE 4.42Å; Y360-M441 HydrophobicContact CE2-CE 4.32Å
361	P	96.8	Very high	94.8	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.032	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.1	132.7	-169.5	27.2	-36.4	0	0	0	111.2	F346 F349 L365 Q366	F346-P361 HydrophobicContact CB-CG 3.79Å; F346-P361 HydrophobicContact CD1-CG 3.89Å; F346-P361 HydrophobicContact CD2-CG 4.09Å; F346-P361 HydrophobicContact CE1-CG 4.49Å; F346-P361 HydrophobicContact CG-CG 3.67Å; F349-P361 HydrophobicContact CD2-CB 4.21Å; F349-P361 HydrophobicContact CD2-CG 4.29Å; F349-P361 HydrophobicContact CE2-CB 4.16Å; F349-P361 HydrophobicContact CE2-CG 4.41Å; P361-L365 HydrophobicContact CB-CB 4.22Å; P361-L365 HydrophobicContact CB-CD2 3.74Å; P361-L365 HydrophobicContact CB-CG 4.35Å; P361-Q366 HydrophobicContact CB-CG 3.9Å; P361-Q366 HydrophobicContact CG-CG 3.82Å; P361-Q366 PolarHBondContact O-NE2 3.09Å
362	D	96.4	Very high	95.1	Very high	100 Å²	100	58.2 Å²	58.2	54%	0.535	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70	173.9	176.1	69.5	26.8	0	0	0	112	Y360 E364 L365 Q366	Y360-D362 PolarHBondContact O-N 2.92Å; D362-E364 PolarHBondContact O-N 2.79Å; D362-E364 WeakPolarHBondContact OD1-CA 3.46Å; D362-E364 WeakPolarHBondContact OD1-CB 3.43Å; D362-E364 PolarHBondContact OD1-N 2.92Å; D362-L365 PolarHBondContact O-N 3.43Å; D362-L365 PolarHBondContact OD1-N 2.81Å; D362-Q366 WeakPolarHBondContact O-CB 3.5Å; D362-Q366 VanDerWaalsContact O-CG 3.25Å; D362-Q366 WeakPolarHBondContact O-CG 3.43Å; D362-Q366 PolarHBondContact O-N 2.62Å
363	R	96.6	Very high	95.7	Very high	138 Å²	138	56.9 Å²	56.9	52%	0.521	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-33.6	-178.1	-175.8	168.7	-173.6	-85.4	-2.1	112.8	S367 E393 F396	R363-S367 VanDerWaalsContact O-CB 3.32Å; R363-S367 WeakPolarHBondContact O-CB 3.34Å; R363-S367 PolarHBondContact O-N 3.33Å; R363-S367 PolarHBondContact O-OG 2.87Å; R363-E393 IonicContact CZ-OE2 2.83Å; R363-E393 IonicContact NH2-OE1 3.91Å; R363-E393 IonicContact NH2-OE2 3.4Å; R363-E393 PolarHBondContact NH2-OE2 2.82Å; R363-F396 HydrophobicContact CB-CE2 4.28Å; R363-F396 HydrophobicContact CB-CZ 4.34Å; R363-F396 HydrophobicContact CG-CE2 3.9Å; R363-F396 HydrophobicContact CG-CZ 3.91Å
364	E	97.4	Very high	96.4	Very high	137 Å²	137	53.1 Å²	53.1	64%	0.64	27%	0.27	S	S	*	.	H	α-helix	trans	-70.3	-49.3	-179	-173.5	179.3	165.8	0	0	110.6	D362 S367 Q368	D362-E364 PolarHBondContact O-N 2.79Å; D362-E364 WeakPolarHBondContact OD1-CA 3.46Å; D362-E364 WeakPolarHBondContact OD1-CB 3.43Å; D362-E364 PolarHBondContact OD1-N 2.92Å; E364-S367 PolarHBondContact O-N 2.83Å; E364-Q368 WeakPolarHBondContact O-CG 3.17Å; E364-Q368 PolarHBondContact O-N 3.23Å; E364-Q368 VanDerWaalsContact O-N 3.08Å
365	L	97.6	Very high	96.9	Very high	30 Å²	30	49.8 Å²	49.8	16%	0.157	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-46.9	177.1	-164.1	157.4	0	0	0	110.7	C222 F227 F349 P361 D362 S367 Q368 W369	C222-L365 HydrophobicContact CB-CD1 4.37Å; F227-L365 HydrophobicContact CD1-CD2 4.41Å; F227-L365 HydrophobicContact CE1-CD2 4.5Å; F227-L365 HydrophobicContact CE1-CG 4.4Å; F349-L365 HydrophobicContact CE2-CD2 4.23Å; P361-L365 HydrophobicContact CB-CB 4.22Å; P361-L365 HydrophobicContact CB-CD2 3.74Å; P361-L365 HydrophobicContact CB-CG 4.35Å; D362-L365 PolarHBondContact O-N 3.43Å; D362-L365 PolarHBondContact OD1-N 2.81Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 2.78Å; L365-Q368 PolarHBondContact O-N 2.9Å; L365-W369 HydrophobicContact CD2-CB 4.47Å; L365-W369 WeakPolarHBondContact O-CB 3.44Å; L365-W369 PolarHBondContact O-N 3.23Å
366	Q	98.5	Very high	97.2	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-45.6	176.1	-71.9	-173.3	52.3	0	0	111.3	F346 P361 D362 Q368 W369 L370 F396 N400	F346-Q366 HydrophobicContact CD2-CG 3.96Å; F346-Q366 HydrophobicContact CE2-CB 4.13Å; F346-Q366 HydrophobicContact CE2-CG 3.61Å; F346-Q366 HydrophobicContact CZ-CB 4.49Å; F346-Q366 HydrophobicContact CZ-CG 4.18Å; P361-Q366 HydrophobicContact CB-CG 3.9Å; P361-Q366 HydrophobicContact CG-CG 3.82Å; P361-Q366 PolarHBondContact O-NE2 3.09Å; D362-Q366 WeakPolarHBondContact O-CB 3.5Å; D362-Q366 VanDerWaalsContact O-CG 3.25Å; D362-Q366 WeakPolarHBondContact O-CG 3.43Å; D362-Q366 PolarHBondContact O-N 2.62Å; Q366-Q368 VanDerWaalsContact C-N 3.33Å; Q366-Q368 PolarHBondContact O-N 2.9Å; Q366-W369 PolarHBondContact O-N 2.86Å; Q366-L370 HydrophobicContact CB-CD1 4.48Å; Q366-L370 VanDerWaalsContact O-CB 3.29Å; Q366-L370 WeakPolarHBondContact O-CB 3.3Å; Q366-L370 WeakPolarHBondContact O-CG 3.44Å; Q366-L370 PolarHBondContact O-N 3.23Å; Q366-F396 HydrophobicContact CB-CD2 4.03Å; Q366-F396 HydrophobicContact CB-CE2 4.04Å; Q366-F396 HydrophobicContact CG-CE2 4.48Å; Q366-F396 VanDerWaalsContact OE1-CE2 3.22Å; Q366-N400 PolarHBondContact NE2-OD1 2.77Å; Q366-N400 PolarHBondContact OE1-ND2 2.73Å; Q366-N400 PolarHBondContact OE1-OD1 3.21Å
367	S	98.4	Very high	97.4	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-41.8	179.5	-60	0	0	0	0	112.1	R363 E364 L365 R371	R363-S367 VanDerWaalsContact O-CB 3.32Å; R363-S367 WeakPolarHBondContact O-CB 3.34Å; R363-S367 PolarHBondContact O-N 3.33Å; R363-S367 PolarHBondContact O-OG 2.87Å; E364-S367 PolarHBondContact O-N 2.83Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 2.78Å; S367-R371 VanDerWaalsContact O-CB 3.31Å; S367-R371 WeakPolarHBondContact O-CB 3.5Å; S367-R371 PolarHBondContact O-N 3.43Å
368	Q	98.6	Very high	97.6	Very high	72 Å²	72	46 Å²	46	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-42.6	176.4	-67	-179	50.9	0	0	112.1	F227 E364 L365 Q366 A372	F227-Q368 HydrophobicContact CE2-CB 4.35Å; F227-Q368 HydrophobicContact CZ-CB 3.87Å; E364-Q368 WeakPolarHBondContact O-CG 3.17Å; E364-Q368 PolarHBondContact O-N 3.23Å; E364-Q368 VanDerWaalsContact O-N 3.08Å; L365-Q368 PolarHBondContact O-N 2.9Å; Q366-Q368 VanDerWaalsContact C-N 3.33Å; Q366-Q368 PolarHBondContact O-N 2.9Å; Q368-A372 PolarHBondContact O-N 3.4Å; Q368-A372 VanDerWaalsContact O-N 3.11Å
369	W	98.7	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-49.3	179	-167	107.8	0	0	0	111.3	F227 I230 A231 L234 I342 H345 F346 L365 Q366 R371 A372 Y373	F227-W369 HydrophobicContact CD2-CB 4.16Å; F227-W369 AromaticContact CD2-CD1 3.57Å; F227-W369 HydrophobicContact CD2-CG 4.1Å; F227-W369 HydrophobicContact CE2-CB 4.29Å; F227-W369 AromaticContact CG-CD1 3.76Å; I230-W369 HydrophobicContact CG2-CZ2 4.39Å; A231-W369 HydrophobicContact CB-CD2 4.06Å; A231-W369 HydrophobicContact CB-CE3 4.41Å; A231-W369 HydrophobicContact CB-CH2 4.22Å; A231-W369 HydrophobicContact CB-CZ2 3.9Å; A231-W369 HydrophobicContact CB-CZ3 4.47Å; L234-W369 HydrophobicContact CD2-CH2 3.96Å; I342-W369 HydrophobicContact CB-CH2 4.45Å; I342-W369 HydrophobicContact CB-CZ3 4.28Å; I342-W369 HydrophobicContact CD1-CH2 4.45Å; I342-W369 HydrophobicContact CD1-CZ3 3.94Å; I342-W369 HydrophobicContact CG1-CH2 3.96Å; I342-W369 HydrophobicContact CG1-CZ3 3.87Å; I342-W369 HydrophobicContact CG2-CE3 4.01Å; I342-W369 HydrophobicContact CG2-CH2 3.89Å; I342-W369 HydrophobicContact CG2-CZ3 3.44Å; I342-W369 VanDerWaalsContact CG2-CZ3 3.44Å; H345-W369 AromaticContact CD2-CZ2 3.87Å; F346-W369 HydrophobicContact CE1-CB 4.35Å; F346-W369 AromaticContact CE1-CD2 3.65Å; F346-W369 HydrophobicContact CE1-CD2 3.65Å; F346-W369 AromaticContact CE1-CE2 3.98Å; F346-W369 AromaticContact CE1-CE3 3.95Å; F346-W369 HydrophobicContact CE1-CE3 3.95Å; F346-W369 AromaticContact CE1-CG 3.81Å; F346-W369 HydrophobicContact CE1-CG 3.81Å; F346-W369 HydrophobicContact CZ-CB 4.19Å; F346-W369 AromaticContact CZ-CD2 3.84Å; F346-W369 HydrophobicContact CZ-CD2 3.84Å; F346-W369 AromaticContact CZ-CE3 3.75Å; F346-W369 HydrophobicContact CZ-CE3 3.75Å; F346-W369 HydrophobicContact CZ-CG 4.03Å; F346-W369 HydrophobicContact CZ-CZ3 4.47Å; L365-W369 HydrophobicContact CD2-CB 4.47Å; L365-W369 WeakPolarHBondContact O-CB 3.44Å; L365-W369 PolarHBondContact O-N 3.23Å; Q366-W369 PolarHBondContact O-N 2.86Å; W369-R371 VanDerWaalsContact C-N 3.32Å; W369-R371 PolarHBondContact O-N 3.23Å; W369-A372 PolarHBondContact O-N 2.88Å; W369-Y373 AromaticContact CH2-CD2 3.98Å; W369-Y373 HydrophobicContact CH2-CD2 3.98Å; W369-Y373 HydrophobicContact CH2-CG 4.34Å; W369-Y373 AromaticContact CZ3-CD2 3.93Å; W369-Y373 HydrophobicContact CZ3-CD2 3.93Å; W369-Y373 AromaticContact CZ3-CG 3.82Å; W369-Y373 HydrophobicContact CZ3-CG 3.82Å; W369-Y373 WeakPolarHBondContact O-CB 3.33Å; W369-Y373 PolarHBondContact O-N 2.85Å
370	L	98.9	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-36	-178.2	-66.1	172.9	0	0	0	111.8	I342 F346 Q366 Y373 L374 V392 L395 F396 V399	I342-L370 HydrophobicContact CD1-CD2 4.37Å; I342-L370 HydrophobicContact CG2-CD2 3.86Å; F346-L370 HydrophobicContact CE2-CD2 4.27Å; F346-L370 HydrophobicContact CE2-CG 4.48Å; F346-L370 HydrophobicContact CZ-CD2 4.14Å; F346-L370 HydrophobicContact CZ-CG 4.34Å; Q366-L370 HydrophobicContact CB-CD1 4.48Å; Q366-L370 VanDerWaalsContact O-CB 3.29Å; Q366-L370 WeakPolarHBondContact O-CB 3.3Å; Q366-L370 WeakPolarHBondContact O-CG 3.44Å; Q366-L370 PolarHBondContact O-N 3.23Å; L370-Y373 PolarHBondContact O-N 3.45Å; L370-L374 WeakPolarHBondContact O-CB 3.33Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.22Å; L370-L374 PolarHBondContact O-N 3.29Å; L370-V392 HydrophobicContact CB-CG1 4.35Å; L370-L395 HydrophobicContact CB-CD2 4.27Å; L370-L395 HydrophobicContact CD2-CD2 3.74Å; L370-L395 HydrophobicContact CD2-CG 3.91Å; L370-F396 VanDerWaalsContact CD1-CA 3.49Å; L370-F396 HydrophobicContact CD1-CB 3.75Å; L370-F396 HydrophobicContact CD1-CD2 4.17Å; L370-F396 HydrophobicContact CD1-CG 4.48Å; L370-V399 HydrophobicContact CD2-CG2 3.98Å
371	R	98.8	Very high	97.8	Very high	60 Å²	60	46.8 Å²	46.8	23%	0.226	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-51.7	171.4	179.2	173.7	-62.4	-80	-7	111.5	S367 W369 Y373 L374 E375 V387 E389 V392	S367-R371 VanDerWaalsContact O-CB 3.31Å; S367-R371 WeakPolarHBondContact O-CB 3.5Å; S367-R371 PolarHBondContact O-N 3.43Å; W369-R371 VanDerWaalsContact C-N 3.32Å; W369-R371 PolarHBondContact O-N 3.23Å; R371-Y373 PolarHBondContact O-N 2.99Å; R371-L374 PolarHBondContact O-N 3.1Å; R371-L374 VanDerWaalsContact O-N 3.11Å; R371-E375 HydrophobicContact CG-CG 4.3Å; R371-E375 WeakPolarHBondContact CG-OE1 3.39Å; R371-E375 VanDerWaalsContact O-CG 3.29Å; R371-E375 WeakPolarHBondContact O-CG 3.23Å; R371-E375 PolarHBondContact O-N 2.83Å; R371-V387 PolarHBondContact NH1-O 3.25Å; R371-E389 IonicContact CZ-OE1 3.5Å; R371-E389 IonicContact NH1-OE1 3.93Å; R371-E389 IonicContact NH2-OE1 3.68Å; R371-E389 PolarHBondContact NH2-OE1 2.83Å; R371-E389 IonicContact NH2-OE2 2.64Å; R371-E389 PolarHBondContact NH2-OE2 3.34Å; R371-V392 HydrophobicContact CB-CG2 4.11Å
372	A	98.8	Very high	97.7	Very high	14 Å²	14	49.6 Å²	49.6	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-38.7	178.4	0	0	0	0	0	111.9	R228 A231 Q368 W369 A376	R228-A372 HydrophobicContact CG-CB 4.06Å; A231-A372 HydrophobicContact CB-CB 4.23Å; Q368-A372 PolarHBondContact O-N 3.4Å; Q368-A372 VanDerWaalsContact O-N 3.11Å; W369-A372 PolarHBondContact O-N 2.88Å; A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.41Å; A372-A376 VanDerWaalsContact O-N 3.17Å
373	Y	98.8	Very high	97.6	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-50.7	173	172.4	-90.1	0	0	0	111.9	A231 L234 A235 H238 L338 I342 W369 L370 R371 E375 A376 Y377 L395	A231-Y373 WeakPolarHBondContact O-CD2 3.42Å; L234-Y373 HydrophobicContact CG-CE2 4.48Å; A235-Y373 HydrophobicContact CB-CD2 3.85Å; A235-Y373 HydrophobicContact CB-CE2 3.74Å; H238-Y373 WeakPolarHBondContact CB-OH 3.27Å; H238-Y373 AromaticContact ND1-CE2 3.56Å; H238-Y373 AromaticContact ND1-CZ 3.52Å; H238-Y373 PolarHBondContact ND1-OH 3.44Å; L338-Y373 HydrophobicContact CD1-CE1 4.09Å; L338-Y373 WeakPolarHBondContact CD1-OH 3.21Å; L338-Y373 HydrophobicContact CD2-CE1 4.03Å; L338-Y373 HydrophobicContact CG-CE1 4.35Å; L338-Y373 WeakPolarHBondContact CG-OH 3.46Å; I342-Y373 HydrophobicContact CD1-CD1 4.05Å; I342-Y373 HydrophobicContact CD1-CD2 4.27Å; I342-Y373 HydrophobicContact CD1-CE1 4.01Å; I342-Y373 HydrophobicContact CD1-CE2 4.19Å; I342-Y373 HydrophobicContact CD1-CG 4.22Å; W369-Y373 AromaticContact CH2-CD2 3.98Å; W369-Y373 HydrophobicContact CH2-CD2 3.98Å; W369-Y373 HydrophobicContact CH2-CG 4.34Å; W369-Y373 AromaticContact CZ3-CD2 3.93Å; W369-Y373 HydrophobicContact CZ3-CD2 3.93Å; W369-Y373 AromaticContact CZ3-CG 3.82Å; W369-Y373 HydrophobicContact CZ3-CG 3.82Å; W369-Y373 WeakPolarHBondContact O-CB 3.33Å; W369-Y373 PolarHBondContact O-N 2.85Å; L370-Y373 PolarHBondContact O-N 3.45Å; R371-Y373 PolarHBondContact O-N 2.99Å; Y373-E375 PolarHBondContact O-N 3.25Å; Y373-A376 PolarHBondContact O-N 3.33Å; Y373-Y377 HydrophobicContact CE1-CG 4.33Å; Y373-Y377 VanDerWaalsContact O-CB 3.23Å; Y373-Y377 WeakPolarHBondContact O-CB 3.37Å; Y373-Y377 PolarHBondContact O-N 3.2Å; Y373-L395 HydrophobicContact CD1-CD2 3.83Å; Y373-L395 HydrophobicContact CE1-CD2 4.22Å
374	L	98.8	Very high	97.5	Very high	20 Å²	20	47.5 Å²	47.5	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-40.2	-178.3	-76.5	169.1	0	0	0	112.3	L370 R371 Y377 K378 V387 E391 V392 L395	L370-L374 WeakPolarHBondContact O-CB 3.33Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.22Å; L370-L374 PolarHBondContact O-N 3.29Å; R371-L374 PolarHBondContact O-N 3.1Å; R371-L374 VanDerWaalsContact O-N 3.11Å; L374-Y377 PolarHBondContact O-N 3.25Å; L374-K378 WeakPolarHBondContact O-CB 3.4Å; L374-K378 WeakPolarHBondContact O-CG 3.35Å; L374-K378 PolarHBondContact O-N 2.99Å; L374-V387 HydrophobicContact CB-CB 4.48Å; L374-V387 HydrophobicContact CB-CG1 3.91Å; L374-V387 HydrophobicContact CB-CG2 3.68Å; L374-V387 HydrophobicContact CD1-CG1 3.83Å; L374-E391 HydrophobicContact CD1-CB 4.1Å; L374-V392 HydrophobicContact CD1-CG2 4.02Å; L374-L395 HydrophobicContact CD1-CB 4.49Å; L374-L395 HydrophobicContact CD1-CD2 4.08Å; L374-L395 HydrophobicContact CD2-CD2 3.94Å; L374-L395 HydrophobicContact CG-CD2 3.82Å
375	E	98.7	Very high	97.4	Very high	76 Å²	76	44.7 Å²	44.7	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-51.4	175.7	-71.5	170.6	173.3	0	0	110.3	R371 Y373 E379 V387	R371-E375 HydrophobicContact CG-CG 4.3Å; R371-E375 WeakPolarHBondContact CG-OE1 3.39Å; R371-E375 VanDerWaalsContact O-CG 3.29Å; R371-E375 WeakPolarHBondContact O-CG 3.23Å; R371-E375 PolarHBondContact O-N 2.83Å; Y373-E375 PolarHBondContact O-N 3.25Å; E375-E379 WeakPolarHBondContact O-CB 3.38Å; E375-E379 PolarHBondContact O-N 3.4Å; E375-V387 HydrophobicContact CB-CG2 4.33Å; E375-V387 HydrophobicContact CG-CB 4.27Å; E375-V387 HydrophobicContact CG-CG2 3.61Å
376	A	98.6	Very high	97.4	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-41.4	177.2	0	0	0	0	0	112.6	R232 A235 A372 Y373 E379 F380	R232-A376 HydrophobicContact CB-CB 4.08Å; R232-A376 HydrophobicContact CG-CB 3.93Å; A235-A376 HydrophobicContact CB-CB 3.78Å; A372-A376 WeakPolarHBondContact O-CB 3.49Å; A372-A376 PolarHBondContact O-N 3.41Å; A372-A376 VanDerWaalsContact O-N 3.17Å; Y373-A376 PolarHBondContact O-N 3.33Å; A376-E379 WeakPolarHBondContact O-CB 3.48Å; A376-E379 PolarHBondContact O-N 3Å; A376-F380 HydrophobicContact CB-CD2 4.47Å; A376-F380 HydrophobicContact CB-CE2 4.2Å; A376-F380 WeakPolarHBondContact O-CD2 3.48Å; A376-F380 PolarHBondContact O-N 2.88Å
377	Y	98.3	Very high	97.4	Very high	41 Å²	41	52 Å²	52	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-43.8	-179.1	-177.5	-107.8	0	0	0	111.4	H238 A239 L338 Y373 L374 E379 F380 K381	H238-Y377 HydrophobicContact CB-CD2 4.17Å; H238-Y377 HydrophobicContact CB-CE2 3.95Å; A239-Y377 HydrophobicContact CB-CD2 4.35Å; A239-Y377 HydrophobicContact CB-CE2 4.3Å; L338-Y377 HydrophobicContact CD1-CE2 4.48Å; Y373-Y377 HydrophobicContact CE1-CG 4.33Å; Y373-Y377 VanDerWaalsContact O-CB 3.23Å; Y373-Y377 WeakPolarHBondContact O-CB 3.37Å; Y373-Y377 PolarHBondContact O-N 3.2Å; L374-Y377 PolarHBondContact O-N 3.25Å; Y377-E379 VanDerWaalsContact C-N 3.34Å; Y377-F380 PolarHBondContact O-N 3.47Å; Y377-K381 HydrophobicContact CE1-CG 4.28Å; Y377-K381 HydrophobicContact CE2-CG 4.23Å; Y377-K381 WeakPolarHBondContact O-CB 3.25Å; Y377-K381 WeakPolarHBondContact O-CG 3.48Å; Y377-K381 PolarHBondContact O-N 3.39Å; Y377-K381 VanDerWaalsContact O-N 3.08Å
378	K	97.6	Very high	97.3	Very high	35 Å²	35	54.3 Å²	54.3	15%	0.152	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-38.9	174.3	-71.4	-175.4	179.8	-170.2	0	111.9	L374 K381 G382 F383 G384 E386 V387 E391	L374-K378 WeakPolarHBondContact O-CB 3.4Å; L374-K378 WeakPolarHBondContact O-CG 3.35Å; L374-K378 PolarHBondContact O-N 2.99Å; K378-K381 CarbonylContact O-C 3.44Å; K378-K381 PolarHBondContact O-N 3.43Å; K378-G382 PolarHBondContact O-N 3.45Å; K378-F383 HydrophobicContact CB-CB 4.23Å; K378-F383 PolarHBondContact O-N 3.1Å; K378-G384 CarbonylContact C-O 3.1Å; K378-G384 WeakPolarHBondContact CB-O 3.22Å; K378-E386 WeakPolarHBondContact CD-O 3.42Å; K378-E386 WeakPolarHBondContact CE-O 3.48Å; K378-E386 PolarHBondContact NZ-O 2.84Å; K378-V387 HydrophobicContact CD-CG2 4.24Å; K378-E391 WeakPolarHBondContact CE-OE1 3.36Å; K378-E391 IonicContact NZ-OE1 2.6Å; K378-E391 PolarHBondContact NZ-OE1 3.21Å; K378-E391 IonicContact NZ-OE2 2.96Å; K378-E391 PolarHBondContact NZ-OE2 2.95Å
379	E	97.9	Very high	97.3	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-52.9	175.8	-171.5	-168.6	150	0	0	111	R232 E375 A376 Y377 K381 G382 G384 T385	R232-E379 IonicContact CZ-OE1 3.64Å; R232-E379 IonicContact CZ-OE2 3.78Å; R232-E379 IonicContact NH1-OE1 3.6Å; R232-E379 IonicContact NH1-OE2 2.62Å; R232-E379 PolarHBondContact NH1-OE2 3.13Å; R232-E379 IonicContact NH2-OE1 2.79Å; R232-E379 PolarHBondContact NH2-OE1 2.99Å; R232-E379 IonicContact NH2-OE2 2.88Å; R232-E379 PolarHBondContact NH2-OE2 3.39Å; E375-E379 WeakPolarHBondContact O-CB 3.38Å; E375-E379 PolarHBondContact O-N 3.4Å; A376-E379 WeakPolarHBondContact O-CB 3.48Å; A376-E379 PolarHBondContact O-N 3Å; Y377-E379 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 2.86Å; E379-G382 PolarHBondContact O-N 3.32Å; E379-G384 PolarHBondContact N-O 3.09Å; E379-G384 VanDerWaalsContact N-O 3.08Å; E379-T385 HydrophobicContact CB-CG2 4.12Å; E379-T385 HydrophobicContact CG-CG2 4.33Å
380	F	96.9	Very high	97.2	Very high	74 Å²	74	62 Å²	62	33%	0.325	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-26.2	179.1	-69.7	-56.1	0	0	0	113.4	R232 A235 K236 A239 A376 Y377	R232-F380 HydrophobicContact CG-CE2 3.97Å; R232-F380 HydrophobicContact CG-CZ 4.07Å; R232-F380 WeakPolarHBondContact O-CE2 3.33Å; A235-F380 HydrophobicContact CB-CD2 4.26Å; A235-F380 HydrophobicContact CB-CE2 4.42Å; K236-F380 HydrophobicContact CB-CD2 4.1Å; K236-F380 HydrophobicContact CB-CE1 4.35Å; K236-F380 HydrophobicContact CB-CE2 3.62Å; K236-F380 HydrophobicContact CB-CZ 3.76Å; K236-F380 HydrophobicContact CD-CZ 4.41Å; K236-F380 HydrophobicContact CG-CE1 4.09Å; K236-F380 HydrophobicContact CG-CE2 4.26Å; K236-F380 HydrophobicContact CG-CZ 3.97Å; A239-F380 HydrophobicContact CB-CB 3.57Å; A239-F380 HydrophobicContact CB-CG 4.46Å; A376-F380 HydrophobicContact CB-CD2 4.47Å; A376-F380 HydrophobicContact CB-CE2 4.2Å; A376-F380 WeakPolarHBondContact O-CD2 3.48Å; A376-F380 PolarHBondContact O-N 2.88Å; Y377-F380 PolarHBondContact O-N 3.47Å
381	K	93.8	Very high	97.1	Very high	57 Å²	57	65 Å²	65	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-87.2	-5.1	175.4	-65	-70.9	-68.2	-171.5	0	113.6	A239 H241 Y377 K378 E379 F383	A239-K381 HydrophobicContact CB-CD 4.04Å; A239-K381 HydrophobicContact CB-CG 4.26Å; H241-K381 PolarHBondContact CE1-NZ 3.32Å; H241-K381 PolarHBondContact NE2-NZ 2.84Å; Y377-K381 HydrophobicContact CE1-CG 4.28Å; Y377-K381 HydrophobicContact CE2-CG 4.23Å; Y377-K381 WeakPolarHBondContact O-CB 3.25Å; Y377-K381 WeakPolarHBondContact O-CG 3.48Å; Y377-K381 PolarHBondContact O-N 3.39Å; Y377-K381 VanDerWaalsContact O-N 3.08Å; K378-K381 CarbonylContact O-C 3.44Å; K378-K381 PolarHBondContact O-N 3.43Å; E379-K381 PolarHBondContact O-N 2.86Å; K381-F383 HydrophobicContact CB-CD2 3.48Å; K381-F383 VanDerWaalsContact CB-CD2 3.48Å; K381-F383 HydrophobicContact CB-CE2 3.6Å; K381-F383 HydrophobicContact CB-CG 4.34Å; K381-F383 HydrophobicContact CG-CE2 4.41Å
382	G	94.8	Very high	97.1	Very high	65 Å²	65	62.3 Å²	62.3	67%	0.67	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	23.3	-179.4	0	0	0	0	0	114.5	K378 E379	K378-G382 PolarHBondContact O-N 3.45Å; E379-G382 PolarHBondContact O-N 3.32Å
383	F	93	Very high	97.1	Very high	151 Å²	151	63.9 Å²	63.9	66%	0.662	33%	0.333	S	S	*	.	S	Bend	trans	-99.9	13.8	-179.9	-59.4	-47.2	0	0	0	113.8	K378 K381	K378-F383 HydrophobicContact CB-CB 4.23Å; K378-F383 PolarHBondContact O-N 3.1Å; K381-F383 HydrophobicContact CB-CD2 3.48Å; K381-F383 VanDerWaalsContact CB-CD2 3.48Å; K381-F383 HydrophobicContact CB-CE2 3.6Å; K381-F383 HydrophobicContact CB-CG 4.34Å; K381-F383 HydrophobicContact CG-CE2 4.41Å
384	G	94.8	Very high	97	Very high	42 Å²	42	66 Å²	66	43%	0.433	34%	0.344	S	S	.	.			trans	80.4	-163	-173.4	0	0	0	0	0	112.6	K378 E379	K378-G384 CarbonylContact C-O 3.1Å; K378-G384 WeakPolarHBondContact CB-O 3.22Å; E379-G384 PolarHBondContact N-O 3.09Å; E379-G384 VanDerWaalsContact N-O 3.08Å
385	T	95.6	Very high	97	Very high	79 Å²	79	65.5 Å²	65.5	49%	0.485	34%	0.341	S	S	.	.	S	Bend	trans	-124.1	0.4	-176.6	57.3	0	0	0	0	113.5	E379 V387	E379-T385 HydrophobicContact CB-CG2 4.12Å; E379-T385 HydrophobicContact CG-CG2 4.33Å; T385-V387 PolarHBondContact O-N 3.01Å
386	E	97.3	Very high	97	Very high	170 Å²	170	62.5 Å²	62.5	79%	0.794	33%	0.327	S	S	*	.			trans	-70.3	129.2	-179.1	-67	-175.1	171.1	0	0	110.9	K378	K378-E386 WeakPolarHBondContact CD-O 3.42Å; K378-E386 WeakPolarHBondContact CE-O 3.48Å; K378-E386 PolarHBondContact NZ-O 2.84Å
387	V	97.9	Very high	97	Very high	19 Å²	19	62.4 Å²	62.4	12%	0.115	33%	0.326	C	S	.	.			trans	-129.5	126	179.9	174.9	0	0	0	0	110.2	R371 L374 E375 K378 T385 E391 V392	R371-V387 PolarHBondContact NH1-O 3.25Å; L374-V387 HydrophobicContact CB-CB 4.48Å; L374-V387 HydrophobicContact CB-CG1 3.91Å; L374-V387 HydrophobicContact CB-CG2 3.68Å; L374-V387 HydrophobicContact CD1-CG1 3.83Å; E375-V387 HydrophobicContact CB-CG2 4.33Å; E375-V387 HydrophobicContact CG-CB 4.27Å; E375-V387 HydrophobicContact CG-CG2 3.61Å; K378-V387 HydrophobicContact CD-CG2 4.24Å; T385-V387 PolarHBondContact O-N 3.01Å; V387-E391 HydrophobicContact CG1-CB 4.44Å; V387-V392 HydrophobicContact CG1-CG2 3.67Å
388	T	97.7	Very high	96.9	Very high	77 Å²	77	61.2 Å²	61.2	47%	0.472	32%	0.322	S	S	.	.			trans	-86.4	155.3	179	65.3	0	0	0	0	111.9	K390 E391 V392	T388-K390 PolarHBondContact O-N 3.48Å; T388-E391 PolarHBondContact N-OE2 2.81Å; T388-E391 PolarHBondContact O-N 3.49Å; T388-E391 VanDerWaalsContact OG1-CG 3.25Å; T388-E391 WeakPolarHBondContact OG1-CG 3.47Å; T388-E391 PolarHBondContact OG1-N 3.39Å; T388-E391 PolarHBondContact OG1-OE2 2.74Å; T388-V392 PolarHBondContact O-N 3.19Å
389	E	97.3	Very high	97	Very high	137 Å²	137	59.6 Å²	59.6	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-58.7	-34.6	172.2	-61.2	-48.7	131.4	0	0	112.3	R371 E391 V392 E393	R371-E389 IonicContact CZ-OE1 3.5Å; R371-E389 IonicContact NH1-OE1 3.93Å; R371-E389 IonicContact NH2-OE1 3.68Å; R371-E389 PolarHBondContact NH2-OE1 2.83Å; R371-E389 IonicContact NH2-OE2 2.64Å; R371-E389 PolarHBondContact NH2-OE2 3.34Å; E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 PolarHBondContact O-N 2.99Å; E389-V392 PolarHBondContact O-N 3.15Å; E389-E393 WeakPolarHBondContact O-CB 3.48Å; E389-E393 PolarHBondContact O-N 2.89Å
390	K	97.1	Very high	97	Very high	98 Å²	98	56 Å²	56	43%	0.426	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-40.8	178	-178.3	168.6	177	168.6	0	111.2	T388 E393 I394 E452	T388-K390 PolarHBondContact O-N 3.48Å; K390-E393 PolarHBondContact O-N 3.48Å; K390-I394 HydrophobicContact CG-CD1 3.84Å; K390-I394 HydrophobicContact CG-CG1 4.42Å; K390-I394 WeakPolarHBondContact O-CB 3.28Å; K390-I394 WeakPolarHBondContact O-CD1 3.42Å; K390-I394 WeakPolarHBondContact O-CG1 3.35Å; K390-I394 PolarHBondContact O-N 3.49Å; K390-E452 PolarHBondContact NZ-O 3.34Å; K390-E452 PolarHBondContact NZ-OXT 3.01Å
391	E	97.4	Very high	97	Very high	61 Å²	61	53 Å²	53	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-41.2	177.1	-71.5	168.7	118.3	0	0	112.3	L374 K378 V387 T388 E389 L395	L374-E391 HydrophobicContact CD1-CB 4.1Å; K378-E391 WeakPolarHBondContact CE-OE1 3.36Å; K378-E391 IonicContact NZ-OE1 2.6Å; K378-E391 PolarHBondContact NZ-OE1 3.21Å; K378-E391 IonicContact NZ-OE2 2.96Å; K378-E391 PolarHBondContact NZ-OE2 2.95Å; V387-E391 HydrophobicContact CG1-CB 4.44Å; T388-E391 PolarHBondContact N-OE2 2.81Å; T388-E391 PolarHBondContact O-N 3.49Å; T388-E391 VanDerWaalsContact OG1-CG 3.25Å; T388-E391 WeakPolarHBondContact OG1-CG 3.47Å; T388-E391 PolarHBondContact OG1-N 3.39Å; T388-E391 PolarHBondContact OG1-OE2 2.74Å; E389-E391 VanDerWaalsContact C-N 3.32Å; E389-E391 PolarHBondContact O-N 2.99Å; E391-L395 WeakPolarHBondContact O-CB 3.44Å; E391-L395 PolarHBondContact O-N 2.93Å
392	V	98.4	Very high	97.2	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-45	175.8	178.5	0	0	0	0	110.7	L370 R371 L374 V387 T388 E389 L395 F396	L370-V392 HydrophobicContact CB-CG1 4.35Å; R371-V392 HydrophobicContact CB-CG2 4.11Å; L374-V392 HydrophobicContact CD1-CG2 4.02Å; V387-V392 HydrophobicContact CG1-CG2 3.67Å; T388-V392 PolarHBondContact O-N 3.19Å; E389-V392 PolarHBondContact O-N 3.15Å; V392-L395 PolarHBondContact O-N 3.17Å; V392-F396 VanDerWaalsContact O-CB 3.29Å; V392-F396 WeakPolarHBondContact O-CB 3.29Å; V392-F396 PolarHBondContact O-N 2.82Å
393	E	98	Very high	97.4	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-43.5	179.5	-173.5	63.9	-159.3	0	0	112	R363 E389 K390 L395 F396 I397 P451	R363-E393 IonicContact CZ-OE2 2.83Å; R363-E393 IonicContact NH2-OE1 3.91Å; R363-E393 IonicContact NH2-OE2 3.4Å; R363-E393 PolarHBondContact NH2-OE2 2.82Å; E389-E393 WeakPolarHBondContact O-CB 3.48Å; E389-E393 PolarHBondContact O-N 2.89Å; K390-E393 PolarHBondContact O-N 3.48Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 3.02Å; E393-F396 WeakPolarHBondContact O-CB 3.49Å; E393-F396 PolarHBondContact O-N 3.01Å; E393-I397 HydrophobicContact CG-CD1 4.19Å; E393-I397 VanDerWaalsContact O-CG1 3.26Å; E393-I397 WeakPolarHBondContact O-CG1 3.28Å; E393-I397 PolarHBondContact O-N 3.28Å; E393-I397 VanDerWaalsContact O-N 3.07Å; E393-P451 HydrophobicContact CB-CG 4.43Å; E393-P451 HydrophobicContact CG-CG 3.82Å
394	I	97.8	Very high	97.7	Very high	46 Å²	46	40 Å²	40	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-48.9	175.6	-70.8	166.6	0	0	0	110.1	K390 F396 I397 Q398 V450	K390-I394 HydrophobicContact CG-CD1 3.84Å; K390-I394 HydrophobicContact CG-CG1 4.42Å; K390-I394 WeakPolarHBondContact O-CB 3.28Å; K390-I394 WeakPolarHBondContact O-CD1 3.42Å; K390-I394 WeakPolarHBondContact O-CG1 3.35Å; K390-I394 PolarHBondContact O-N 3.49Å; I394-F396 VanDerWaalsContact C-N 3.35Å; I394-F396 PolarHBondContact O-N 2.89Å; I394-I397 PolarHBondContact O-N 2.93Å; I394-Q398 WeakPolarHBondContact O-CG 3.49Å; I394-Q398 PolarHBondContact O-N 3.35Å; I394-V450 HydrophobicContact CG1-CG1 4.09Å
395	L	98.4	Very high	97.8	Very high	8 Å²	8	38 Å²	38	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-38.5	-179	-174.4	61.8	0	0	0	111.5	L338 I342 L370 Y373 L374 E391 V392 E393 I397 Q398 V399	L338-L395 HydrophobicContact CD2-CD1 3.61Å; I342-L395 HydrophobicContact CD1-CD1 4.42Å; I342-L395 HydrophobicContact CD1-CD2 4.29Å; L370-L395 HydrophobicContact CB-CD2 4.27Å; L370-L395 HydrophobicContact CD2-CD2 3.74Å; L370-L395 HydrophobicContact CD2-CG 3.91Å; Y373-L395 HydrophobicContact CD1-CD2 3.83Å; Y373-L395 HydrophobicContact CE1-CD2 4.22Å; L374-L395 HydrophobicContact CD1-CB 4.49Å; L374-L395 HydrophobicContact CD1-CD2 4.08Å; L374-L395 HydrophobicContact CD2-CD2 3.94Å; L374-L395 HydrophobicContact CG-CD2 3.82Å; E391-L395 WeakPolarHBondContact O-CB 3.44Å; E391-L395 PolarHBondContact O-N 2.93Å; V392-L395 PolarHBondContact O-N 3.17Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 3.02Å; L395-I397 VanDerWaalsContact C-N 3.31Å; L395-I397 PolarHBondContact O-N 3.34Å; L395-Q398 PolarHBondContact O-N 2.97Å; L395-V399 HydrophobicContact CD1-CG2 3.88Å; L395-V399 HydrophobicContact CG-CG2 4.01Å; L395-V399 VanDerWaalsContact O-CB 3.29Å; L395-V399 WeakPolarHBondContact O-CB 3.16Å; L395-V399 WeakPolarHBondContact O-CG2 3.39Å; L395-V399 PolarHBondContact O-N 3.19Å
396	F	98.5	Very high	97.9	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-55.4	-46.4	174.8	173.7	-94.6	0	0	0	111.6	R363 Q366 L370 V392 E393 I394 N400 L448	R363-F396 HydrophobicContact CB-CE2 4.28Å; R363-F396 HydrophobicContact CB-CZ 4.34Å; R363-F396 HydrophobicContact CG-CE2 3.9Å; R363-F396 HydrophobicContact CG-CZ 3.91Å; Q366-F396 HydrophobicContact CB-CD2 4.03Å; Q366-F396 HydrophobicContact CB-CE2 4.04Å; Q366-F396 HydrophobicContact CG-CE2 4.48Å; Q366-F396 VanDerWaalsContact OE1-CE2 3.22Å; L370-F396 VanDerWaalsContact CD1-CA 3.49Å; L370-F396 HydrophobicContact CD1-CB 3.75Å; L370-F396 HydrophobicContact CD1-CD2 4.17Å; L370-F396 HydrophobicContact CD1-CG 4.48Å; V392-F396 VanDerWaalsContact O-CB 3.29Å; V392-F396 WeakPolarHBondContact O-CB 3.29Å; V392-F396 PolarHBondContact O-N 2.82Å; E393-F396 WeakPolarHBondContact O-CB 3.49Å; E393-F396 PolarHBondContact O-N 3.01Å; I394-F396 VanDerWaalsContact C-N 3.35Å; I394-F396 PolarHBondContact O-N 2.89Å; F396-N400 WeakPolarHBondContact CD2-ND2 3.21Å; F396-N400 VanDerWaalsContact CE2-ND2 3.27Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; F396-N400 PolarHBondContact O-N 2.89Å; F396-N400 PolarHBondContact O-ND2 2.93Å; F396-L448 HydrophobicContact CD1-CD1 4.49Å; F396-L448 HydrophobicContact CE1-CD1 3.95Å; F396-L448 HydrophobicContact CE1-CD2 4.43Å
397	I	97.6	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-47.5	179.2	-63.1	166.4	0	0	0	110.7	E393 I394 L395 V399 Q401 L448 K449 V450	E393-I397 HydrophobicContact CG-CD1 4.19Å; E393-I397 VanDerWaalsContact O-CG1 3.26Å; E393-I397 WeakPolarHBondContact O-CG1 3.28Å; E393-I397 PolarHBondContact O-N 3.28Å; E393-I397 VanDerWaalsContact O-N 3.07Å; I394-I397 PolarHBondContact O-N 2.93Å; L395-I397 VanDerWaalsContact C-N 3.31Å; L395-I397 PolarHBondContact O-N 3.34Å; I397-V399 PolarHBondContact O-N 3.37Å; I397-Q401 WeakPolarHBondContact O-CG 3.27Å; I397-Q401 PolarHBondContact O-N 2.98Å; I397-Q401 VanDerWaalsContact O-N 3.08Å; I397-L448 HydrophobicContact CG1-CB 4.1Å; I397-L448 HydrophobicContact CG2-CB 3.99Å; I397-K449 VanDerWaalsContact CD1-O 3.22Å; I397-K449 WeakPolarHBondContact CD1-O 3.45Å; I397-V450 HydrophobicContact CG2-CG2 4.09Å
398	Q	97.9	Very high	98	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-50	178.3	-70.2	175.3	-22.5	0	0	111	L300 G301 A339 I394 L395 Q401 F402	L300-Q398 HydrophobicContact CB-CG 4.34Å; L300-Q398 PolarHBondContact O-NE2 2.85Å; G301-Q398 PolarHBondContact O-NE2 2.77Å; A339-Q398 HydrophobicContact CB-CB 3.77Å; I394-Q398 WeakPolarHBondContact O-CG 3.49Å; I394-Q398 PolarHBondContact O-N 3.35Å; L395-Q398 PolarHBondContact O-N 2.97Å; Q398-Q401 PolarHBondContact O-N 3.49Å; Q398-F402 WeakPolarHBondContact O-CB 3.45Å; Q398-F402 WeakPolarHBondContact O-CD2 3.18Å; Q398-F402 PolarHBondContact O-N 3.11Å
399	V	98.5	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-48.8	-177.7	166.3	0	0	0	0	111.7	A339 I342 F346 L370 L395 I397 Q401 F402 A403	A339-V399 HydrophobicContact CB-CG2 4.07Å; I342-V399 HydrophobicContact CB-CG1 4.23Å; I342-V399 HydrophobicContact CB-CG2 3.85Å; I342-V399 HydrophobicContact CD1-CG2 4.14Å; I342-V399 HydrophobicContact CG2-CB 4.49Å; I342-V399 HydrophobicContact CG2-CG1 3.75Å; I342-V399 HydrophobicContact CG2-CG2 3.84Å; F346-V399 HydrophobicContact CD2-CG1 3.62Å; F346-V399 HydrophobicContact CE2-CG1 3.63Å; L370-V399 HydrophobicContact CD2-CG2 3.98Å; L395-V399 HydrophobicContact CD1-CG2 3.88Å; L395-V399 HydrophobicContact CG-CG2 4.01Å; L395-V399 VanDerWaalsContact O-CB 3.29Å; L395-V399 WeakPolarHBondContact O-CB 3.16Å; L395-V399 WeakPolarHBondContact O-CG2 3.39Å; L395-V399 PolarHBondContact O-N 3.19Å; I397-V399 PolarHBondContact O-N 3.37Å; V399-Q401 VanDerWaalsContact C-N 3.32Å; V399-Q401 PolarHBondContact O-N 2.68Å; V399-F402 PolarHBondContact O-N 3.36Å; V399-A403 PolarHBondContact O-N 3.38Å
400	N	98.1	Very high	98	Very high	9 Å²	9	15.9 Å²	15.9	5%	0.048	7%	0.074	C	C	.	.	H	α-helix	trans	-67.3	-32.6	-179.4	-76.9	-79.1	0	0	0	112.7	Y360 Q366 F396 V445 L448	Y360-N400 PolarHBondContact OH-OD1 3.26Å; Q366-N400 PolarHBondContact NE2-OD1 2.77Å; Q366-N400 PolarHBondContact OE1-ND2 2.73Å; Q366-N400 PolarHBondContact OE1-OD1 3.21Å; F396-N400 WeakPolarHBondContact CD2-ND2 3.21Å; F396-N400 VanDerWaalsContact CE2-ND2 3.27Å; F396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; F396-N400 PolarHBondContact O-N 2.89Å; F396-N400 PolarHBondContact O-ND2 2.93Å; N400-V445 HydrophobicContact CB-CB 4.37Å; N400-V445 HydrophobicContact CB-CG1 3.99Å; N400-L448 HydrophobicContact CB-CD1 4.24Å
401	Q	97.4	Very high	98.1	Very high	10 Å²	10	11.2 Å²	11.2	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-72.4	-38.8	173.4	-70.7	-165.5	34.5	0	0	112.1	L297 L300 I397 Q398 V399 A403 L404 V445	L297-Q401 HydrophobicContact CD2-CB 3.63Å; L300-Q401 HydrophobicContact CD1-CB 3.71Å; L300-Q401 HydrophobicContact CD1-CG 4.4Å; I397-Q401 WeakPolarHBondContact O-CG 3.27Å; I397-Q401 PolarHBondContact O-N 2.98Å; I397-Q401 VanDerWaalsContact O-N 3.08Å; Q398-Q401 PolarHBondContact O-N 3.49Å; V399-Q401 VanDerWaalsContact C-N 3.32Å; V399-Q401 PolarHBondContact O-N 2.68Å; Q401-A403 VanDerWaalsContact C-N 3.33Å; Q401-A403 PolarHBondContact O-N 3.43Å; Q401-L404 VanDerWaalsContact O-CB 3.26Å; Q401-L404 WeakPolarHBondContact O-CB 3.12Å; Q401-L404 WeakPolarHBondContact O-CG 3.49Å; Q401-L404 PolarHBondContact O-N 3.12Å; Q401-V445 HydrophobicContact CG-CB 4.37Å; Q401-V445 HydrophobicContact CG-CG2 4.42Å; Q401-V445 WeakPolarHBondContact CG-O 3.43Å; Q401-V445 PolarHBondContact NE2-O 2.84Å
402	F	98.3	Very high	98.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-73.4	-21.1	175.8	-88.6	-77.3	0	0	0	113.8	W253 L297 L300 Y337 A339 Y340 Q398 V399 L404 A405 S406	W253-F402 HydrophobicContact CZ2-CE1 4.37Å; L297-F402 HydrophobicContact CB-CD1 4.31Å; L297-F402 HydrophobicContact CB-CE1 3.8Å; L297-F402 HydrophobicContact CB-CE2 4.3Å; L297-F402 HydrophobicContact CB-CZ 3.8Å; L297-F402 HydrophobicContact CD1-CD1 4.19Å; L297-F402 HydrophobicContact CD1-CE1 4.44Å; L297-F402 VanDerWaalsContact O-CZ 3.28Å; L297-F402 WeakPolarHBondContact O-CZ 3.49Å; L300-F402 HydrophobicContact CB-CE2 4.3Å; L300-F402 HydrophobicContact CD1-CD2 4.11Å; L300-F402 HydrophobicContact CD1-CE2 3.95Å; Y337-F402 HydrophobicContact CD1-CE1 4.16Å; Y337-F402 HydrophobicContact CD1-CE2 4.44Å; Y337-F402 AromaticContact CD1-CZ 3.63Å; Y337-F402 HydrophobicContact CD1-CZ 3.63Å; Y337-F402 HydrophobicContact CD2-CD1 4.36Å; Y337-F402 AromaticContact CD2-CE1 3.38Å; Y337-F402 HydrophobicContact CD2-CE1 3.38Å; Y337-F402 AromaticContact CD2-CZ 3.75Å; Y337-F402 HydrophobicContact CD2-CZ 3.75Å; Y337-F402 HydrophobicContact CE1-CZ 4.1Å; Y337-F402 AromaticContact CE2-CE1 3.96Å; Y337-F402 HydrophobicContact CE2-CE1 3.96Å; Y337-F402 HydrophobicContact CE2-CZ 4.21Å; Y337-F402 HydrophobicContact CG-CD1 4.43Å; Y337-F402 AromaticContact CG-CE1 3.49Å; Y337-F402 HydrophobicContact CG-CE1 3.49Å; Y337-F402 VanDerWaalsContact CG-CE1 3.49Å; Y337-F402 HydrophobicContact CG-CE2 4.33Å; Y337-F402 AromaticContact CG-CZ 3.42Å; Y337-F402 HydrophobicContact CG-CZ 3.42Å; Y337-F402 VanDerWaalsContact CG-CZ 3.42Å; A339-F402 HydrophobicContact CB-CB 4.21Å; A339-F402 HydrophobicContact CB-CD2 3.57Å; A339-F402 HydrophobicContact CB-CE2 4.25Å; A339-F402 HydrophobicContact CB-CG 4.11Å; Y340-F402 HydrophobicContact CD2-CD1 4.5Å; Q398-F402 WeakPolarHBondContact O-CB 3.45Å; Q398-F402 WeakPolarHBondContact O-CD2 3.18Å; Q398-F402 PolarHBondContact O-N 3.11Å; V399-F402 PolarHBondContact O-N 3.36Å; F402-L404 PolarHBondContact O-N 2.95Å; F402-A405 WeakPolarHBondContact O-CB 3.41Å; F402-A405 PolarHBondContact O-N 3.16Å; F402-S406 PolarHBondContact O-N 3.12Å
403	A	98.3	Very high	97.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.3	-31	170.1	0	0	0	0	0	111.9	N347 V399 Q401 S406 H407	N347-A403 PolarHBondContact ND2-O 2.9Å; V399-A403 PolarHBondContact O-N 3.38Å; Q401-A403 VanDerWaalsContact C-N 3.33Å; Q401-A403 PolarHBondContact O-N 3.43Å; A403-S406 WeakPolarHBondContact O-CB 3.49Å; A403-S406 PolarHBondContact O-N 3.16Å; A403-H407 PolarHBondContact O-N 3.29Å
404	L	98.3	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.5	-46.3	171.2	-62.3	-178.8	0	0	0	112.1	W292 Q401 F402 S406 H407 F408 Y438 M441 K442 V445	W292-L404 HydrophobicContact CH2-CD1 4.14Å; W292-L404 HydrophobicContact CZ3-CD1 4.11Å; Q401-L404 VanDerWaalsContact O-CB 3.26Å; Q401-L404 WeakPolarHBondContact O-CB 3.12Å; Q401-L404 WeakPolarHBondContact O-CG 3.49Å; Q401-L404 PolarHBondContact O-N 3.12Å; F402-L404 PolarHBondContact O-N 2.95Å; L404-S406 PolarHBondContact O-N 2.81Å; L404-H407 PolarHBondContact O-N 3.26Å; L404-F408 PolarHBondContact O-N 2.66Å; L404-Y438 HydrophobicContact CB-CD2 3.75Å; L404-Y438 HydrophobicContact CB-CE2 3.68Å; L404-Y438 HydrophobicContact CD1-CE2 4.41Å; L404-Y438 HydrophobicContact CD2-CD2 4.04Å; L404-Y438 HydrophobicContact CD2-CE2 4.37Å; L404-Y438 HydrophobicContact CG-CD2 4.42Å; L404-Y438 HydrophobicContact CG-CE2 4.39Å; L404-Y438 WeakPolarHBondContact O-CD2 3.24Å; L404-M441 HydrophobicContact CD2-CB 3.79Å; L404-K442 HydrophobicContact CD1-CB 4.24Å; L404-K442 HydrophobicContact CD1-CG 4.27Å; L404-K442 HydrophobicContact CD2-CB 4.25Å; L404-V445 HydrophobicContact CD1-CG2 3.48Å; L404-V445 VanDerWaalsContact CD1-CG2 3.48Å; L404-V445 HydrophobicContact CD2-CG2 3.94Å; L404-V445 HydrophobicContact CG-CG2 3.72Å
405	A	98.3	Very high	97.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63.8	-33.1	178.9	0	0	0	0	0	111.7	L252 W253 M293 L297 Y340 F402 F409	L252-A405 HydrophobicContact CD2-CB 4.24Å; W253-A405 HydrophobicContact CH2-CB 4.33Å; M293-A405 HydrophobicContact SD-CB 4.17Å; L297-A405 HydrophobicContact CD1-CB 3.81Å; Y340-A405 HydrophobicContact CD2-CB 3.99Å; Y340-A405 HydrophobicContact CE2-CB 4.09Å; F402-A405 WeakPolarHBondContact O-CB 3.41Å; F402-A405 PolarHBondContact O-N 3.16Å; A405-F409 WeakPolarHBondContact O-CB 3.17Å; A405-F409 PolarHBondContact O-N 3.49Å
406	S	98.3	Very high	97.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.6	-48.9	172.3	161.2	0	0	0	0	111.6	N344 N347 F402 A403 L404 F408 F409 W410 R434	N344-S406 PolarHBondContact OD1-OG 3.28Å; N347-S406 WeakPolarHBondContact ND2-CB 3.05Å; N347-S406 PolarHBondContact ND2-OG 3.18Å; F402-S406 PolarHBondContact O-N 3.12Å; A403-S406 WeakPolarHBondContact O-CB 3.49Å; A403-S406 PolarHBondContact O-N 3.16Å; L404-S406 PolarHBondContact O-N 2.81Å; S406-F408 VanDerWaalsContact C-N 3.26Å; S406-F408 PolarHBondContact O-N 3.17Å; S406-F409 PolarHBondContact O-N 3.28Å; S406-W410 PolarHBondContact O-N 2.93Å; S406-W410 VanDerWaalsContact O-N 3.07Å; S406-R434 PolarHBondContact O-NH2 3.41Å; S406-R434 PolarHBondContact OG-NH2 3.43Å
407	H	98.4	Very high	97.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-54.4	-47.2	175.6	-76.2	-48.4	0	0	0	112	N347 Y357 A403 L404 G411 R434 Q437 M441	N347-H407 VanDerWaalsContact CG-CE1 3.41Å; N347-H407 PolarHBondContact OD1-CE1 2.99Å; N347-H407 PolarHBondContact OD1-NE2 3.45Å; N347-H407 VanDerWaalsContact OD1-NE2 3.14Å; Y357-H407 AromaticContact CE1-CE1 3.57Å; Y357-H407 AromaticContact CZ-CE1 3.82Å; A403-H407 PolarHBondContact O-N 3.29Å; L404-H407 PolarHBondContact O-N 3.26Å; H407-G411 PolarHBondContact O-N 3.32Å; H407-R434 WeakPolarHBondContact O-CB 3.29Å; H407-Q437 WeakPolarHBondContact NE2-CG 3.5Å; H407-M441 PolarHBondContact NE2-SD 3.49Å; H407-M441 VanDerWaalsContact NE2-SD 3.36Å
408	F	98	Very high	96.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.2	-44.2	-178.1	-153.1	-77.3	0	0	0	111.9	M256 L286 E289 M290 M293 L404 S406 W410 G411 L412 F435 Y438	M256-F408 HydrophobicContact CE-CB 3.74Å; M256-F408 HydrophobicContact CE-CD1 3.45Å; M256-F408 VanDerWaalsContact CE-CD1 3.45Å; M256-F408 HydrophobicContact CE-CE1 4.41Å; M256-F408 HydrophobicContact CE-CG 3.96Å; L286-F408 HydrophobicContact CB-CZ 3.93Å; L286-F408 HydrophobicContact CD2-CE1 4.33Å; L286-F408 HydrophobicContact CD2-CE2 3.85Å; L286-F408 HydrophobicContact CD2-CZ 3.5Å; L286-F408 HydrophobicContact CG-CZ 4.31Å; L286-F408 WeakPolarHBondContact O-CZ 3.28Å; E289-F408 HydrophobicContact CB-CE2 3.7Å; E289-F408 HydrophobicContact CB-CZ 4.14Å; M290-F408 HydrophobicContact CG-CD1 4.02Å; M290-F408 HydrophobicContact CG-CE1 3.29Å; M290-F408 HydrophobicContact CG-CZ 3.76Å; M290-F408 HydrophobicContact SD-CE1 3.79Å; M293-F408 HydrophobicContact CE-CB 3.68Å; M293-F408 HydrophobicContact CE-CD1 3.74Å; M293-F408 HydrophobicContact CE-CD2 3.64Å; M293-F408 HydrophobicContact CE-CE1 4.21Å; M293-F408 HydrophobicContact CE-CE2 4.14Å; M293-F408 HydrophobicContact CE-CG 3.4Å; M293-F408 HydrophobicContact CE-CZ 4.39Å; M293-F408 HydrophobicContact SD-CB 4.05Å; M293-F408 HydrophobicContact SD-CD2 4.49Å; M293-F408 HydrophobicContact SD-CG 4.33Å; L404-F408 PolarHBondContact O-N 2.66Å; S406-F408 VanDerWaalsContact C-N 3.26Å; S406-F408 PolarHBondContact O-N 3.17Å; F408-W410 PolarHBondContact O-N 3.02Å; F408-G411 PolarHBondContact O-N 3.32Å; F408-L412 HydrophobicContact CD1-CD1 3.77Å; F408-L412 HydrophobicContact CD1-CD2 4.2Å; F408-L412 HydrophobicContact CD1-CG 3.86Å; F408-L412 HydrophobicContact CE1-CD1 3.84Å; F408-L412 HydrophobicContact CE1-CD2 3.75Å; F408-L412 HydrophobicContact CE1-CG 3.91Å; F408-L412 WeakPolarHBondContact O-CG 3.39Å; F408-L412 PolarHBondContact O-N 3.21Å; F408-F435 HydrophobicContact CD1-CE1 4.12Å; F408-F435 HydrophobicContact CD2-CD1 4.13Å; F408-F435 AromaticContact CD2-CE1 3.91Å; F408-F435 HydrophobicContact CD2-CE1 3.91Å; F408-F435 HydrophobicContact CE1-CE1 4.15Å; F408-F435 HydrophobicContact CE2-CD1 4.24Å; F408-F435 AromaticContact CE2-CE1 3.94Å; F408-F435 HydrophobicContact CE2-CE1 3.94Å; F408-F435 HydrophobicContact CG-CE1 4.02Å; F408-F435 HydrophobicContact CZ-CE1 4.07Å; F408-Y438 HydrophobicContact CB-CD2 4.3Å; F408-Y438 HydrophobicContact CD2-CD1 4.18Å; F408-Y438 HydrophobicContact CD2-CD2 4.1Å; F408-Y438 HydrophobicContact CD2-CE1 4.14Å; F408-Y438 HydrophobicContact CD2-CE2 4.02Å; F408-Y438 HydrophobicContact CD2-CG 4.19Å; F408-Y438 HydrophobicContact CE2-CE1 4.38Å
409	F	98.1	Very high	96.4	Very high	9 Å²	9	8.5 Å²	8.5	4%	0.039	4%	0.043	C	C	.	.	H	α-helix	trans	-56.5	-50.2	178.4	-178.2	-87.5	0	0	0	111.7	L252 K255 M256 Y259 Y340 A405 S406 G411 L412 W413	L252-F409 HydrophobicContact CD1-CD2 3.81Å; L252-F409 HydrophobicContact CD1-CE2 4.37Å; K255-F409 HydrophobicContact CB-CE2 3.99Å; M256-F409 HydrophobicContact CE-CB 4.32Å; M256-F409 HydrophobicContact CG-CD2 3.71Å; Y259-F409 HydrophobicContact CD2-CE2 4.3Å; Y259-F409 HydrophobicContact CD2-CZ 4.36Å; Y259-F409 HydrophobicContact CE2-CD1 4.48Å; Y259-F409 HydrophobicContact CE2-CD2 4.43Å; Y259-F409 AromaticContact CE2-CE1 3.84Å; Y259-F409 HydrophobicContact CE2-CE1 3.84Å; Y259-F409 AromaticContact CE2-CE2 3.79Å; Y259-F409 HydrophobicContact CE2-CE2 3.79Å; Y259-F409 AromaticContact CE2-CZ 3.45Å; Y259-F409 HydrophobicContact CE2-CZ 3.45Å; Y259-F409 VanDerWaalsContact CE2-CZ 3.45Å; Y259-F409 AromaticContact CZ-CZ 3.86Å; Y340-F409 WeakPolarHBondContact OH-CB 3.39Å; Y340-F409 WeakPolarHBondContact OH-CG 3.44Å; A405-F409 WeakPolarHBondContact O-CB 3.17Å; A405-F409 PolarHBondContact O-N 3.49Å; S406-F409 PolarHBondContact O-N 3.28Å; F409-G411 VanDerWaalsContact C-N 3.35Å; F409-L412 PolarHBondContact O-N 2.84Å; F409-W413 WeakPolarHBondContact O-CB 3.25Å; F409-W413 PolarHBondContact O-N 3.16Å
410	W	97.5	Very high	95.8	Very high	10 Å²	10	11.7 Å²	11.7	4%	0.038	6%	0.056	C	C	.	.	H	α-helix	trans	-73.1	-27	-179.4	-69.2	111.7	0	0	0	113	D310 Y332 N344 S406 F408 W413 A414	D310-W410 HydrophobicContact CB-CH2 4.08Å; D310-W410 HydrophobicContact CB-CZ2 3.84Å; D310-W410 WeakPolarHBondContact OD1-CH2 3.33Å; D310-W410 WeakPolarHBondContact OD1-CZ2 3.28Å; Y332-W410 AromaticContact CD2-CH2 3.75Å; Y332-W410 HydrophobicContact CD2-CH2 3.75Å; Y332-W410 HydrophobicContact CE1-CH2 4.44Å; Y332-W410 AromaticContact CE2-CH2 3.65Å; Y332-W410 HydrophobicContact CE2-CH2 3.65Å; Y332-W410 HydrophobicContact CE2-CZ3 4.11Å; Y332-W410 HydrophobicContact CG-CH2 4.19Å; N344-W410 PolarHBondContact OD1-NE1 3.21Å; S406-W410 PolarHBondContact O-N 2.93Å; S406-W410 VanDerWaalsContact O-N 3.07Å; F408-W410 PolarHBondContact O-N 3.02Å; W410-W413 HydrophobicContact CE3-CB 4.03Å; W410-W413 AromaticContact CE3-CD2 3.77Å; W410-W413 HydrophobicContact CE3-CD2 3.77Å; W410-W413 AromaticContact CE3-CE3 4Å; W410-W413 HydrophobicContact CE3-CE3 4Å; W410-W413 AromaticContact CE3-CG 3.78Å; W410-W413 HydrophobicContact CE3-CG 3.78Å; W410-W413 AromaticContact CZ3-CD1 3.92Å; W410-W413 AromaticContact CZ3-CD2 3.91Å; W410-W413 HydrophobicContact CZ3-CD2 3.91Å; W410-W413 AromaticContact CZ3-CE2 3.97Å; W410-W413 HydrophobicContact CZ3-CE3 4.45Å; W410-W413 AromaticContact CZ3-CG 3.93Å; W410-W413 HydrophobicContact CZ3-CG 3.93Å; W410-W413 AromaticContact CZ3-NE1 3.92Å; W410-A414 VanDerWaalsContact O-CB 3.23Å; W410-A414 WeakPolarHBondContact O-CB 3.46Å; W410-A414 PolarHBondContact O-N 3.38Å
411	G	97.8	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.7	-47.3	168.5	0	0	0	0	0	112.4	H407 F408 F409 A414 L415	H407-G411 PolarHBondContact O-N 3.32Å; F408-G411 PolarHBondContact O-N 3.32Å; F409-G411 VanDerWaalsContact C-N 3.35Å; G411-A414 PolarHBondContact O-N 2.87Å; G411-L415 WeakPolarHBondContact O-CG 3.21Å; G411-L415 PolarHBondContact O-N 3.43Å; G411-L415 VanDerWaalsContact O-N 3.1Å
412	L	97.4	Very high	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-44	175.7	-58.7	172.4	0	0	0	111.5	M256 Y259 F260 I263 M290 F408 F409 A414 L415 I416 F435	M256-L412 HydrophobicContact CB-CD1 4.14Å; M256-L412 HydrophobicContact CE-CD1 4.3Å; M256-L412 HydrophobicContact CG-CD1 4.43Å; Y259-L412 HydrophobicContact CD2-CB 4.38Å; F260-L412 HydrophobicContact CD2-CD2 4.37Å; I263-L412 HydrophobicContact CD1-CD2 3.52Å; M290-L412 HydrophobicContact SD-CD1 4.1Å; F408-L412 HydrophobicContact CD1-CD1 3.77Å; F408-L412 HydrophobicContact CD1-CD2 4.2Å; F408-L412 HydrophobicContact CD1-CG 3.86Å; F408-L412 HydrophobicContact CE1-CD1 3.84Å; F408-L412 HydrophobicContact CE1-CD2 3.75Å; F408-L412 HydrophobicContact CE1-CG 3.91Å; F408-L412 WeakPolarHBondContact O-CG 3.39Å; F408-L412 PolarHBondContact O-N 3.21Å; F409-L412 PolarHBondContact O-N 2.84Å; L412-A414 VanDerWaalsContact C-N 3.3Å; L412-A414 PolarHBondContact O-N 3.42Å; L412-L415 PolarHBondContact O-N 2.95Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.11Å; L412-F435 HydrophobicContact CD2-CE1 4.5Å; L412-F435 HydrophobicContact CD2-CZ 3.99Å; L412-F435 HydrophobicContact CG-CZ 4.38Å
413	W	95.4	Very high	93.3	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-55.1	-46.9	175.2	172.6	96.9	0	0	0	111.3	I147 Y259 Y332 F409 W410 L415 I416 Q417 F427 Y430	I147-W413 HydrophobicContact CD1-CH2 3.69Å; I147-W413 HydrophobicContact CD1-CZ2 4.39Å; I147-W413 HydrophobicContact CG1-CH2 4.38Å; Y259-W413 HydrophobicContact CD2-CB 4.31Å; Y259-W413 HydrophobicContact CE2-CB 4.05Å; Y332-W413 AromaticContact CZ-NE1 3.9Å; Y332-W413 PolarHBondContact OH-NE1 3.48Å; F409-W413 WeakPolarHBondContact O-CB 3.25Å; F409-W413 PolarHBondContact O-N 3.16Å; W410-W413 HydrophobicContact CE3-CB 4.03Å; W410-W413 AromaticContact CE3-CD2 3.77Å; W410-W413 HydrophobicContact CE3-CD2 3.77Å; W410-W413 AromaticContact CE3-CE3 4Å; W410-W413 HydrophobicContact CE3-CE3 4Å; W410-W413 AromaticContact CE3-CG 3.78Å; W410-W413 HydrophobicContact CE3-CG 3.78Å; W410-W413 AromaticContact CZ3-CD1 3.92Å; W410-W413 AromaticContact CZ3-CD2 3.91Å; W410-W413 HydrophobicContact CZ3-CD2 3.91Å; W410-W413 AromaticContact CZ3-CE2 3.97Å; W410-W413 HydrophobicContact CZ3-CE3 4.45Å; W410-W413 AromaticContact CZ3-CG 3.93Å; W410-W413 HydrophobicContact CZ3-CG 3.93Å; W410-W413 AromaticContact CZ3-NE1 3.92Å; W413-L415 PolarHBondContact O-N 2.88Å; W413-I416 PolarHBondContact O-N 3.49Å; W413-Q417 HydrophobicContact CD2-CG 3.93Å; W413-Q417 HydrophobicContact CE3-CG 4.24Å; W413-Q417 HydrophobicContact CH2-CG 4.06Å; W413-Q417 HydrophobicContact CZ2-CG 3.76Å; W413-Q417 HydrophobicContact CZ3-CG 4.29Å; W413-Q417 WeakPolarHBondContact O-CG 3.44Å; W413-Q417 PolarHBondContact O-N 2.96Å; W413-F427 HydrophobicContact CH2-CD1 4.13Å; W413-F427 AromaticContact CH2-CE1 3.58Å; W413-F427 HydrophobicContact CH2-CE1 3.58Å; W413-F427 HydrophobicContact CZ2-CE1 4.45Å; W413-F427 AromaticContact CZ3-CD1 3.9Å; W413-F427 HydrophobicContact CZ3-CD1 3.9Å; W413-F427 AromaticContact CZ3-CE1 3.84Å; W413-F427 HydrophobicContact CZ3-CE1 3.84Å; W413-Y430 HydrophobicContact CZ3-CD1 4.44Å; W413-Y430 HydrophobicContact CZ3-CE1 4.36Å
414	A	95.1	Very high	92.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-37	-178.3	0	0	0	0	0	112.2	W410 G411 L412 I416 Q417 A418 F427 Y430 A431	W410-A414 VanDerWaalsContact O-CB 3.23Å; W410-A414 WeakPolarHBondContact O-CB 3.46Å; W410-A414 PolarHBondContact O-N 3.38Å; G411-A414 PolarHBondContact O-N 2.87Å; L412-A414 VanDerWaalsContact C-N 3.3Å; L412-A414 PolarHBondContact O-N 3.42Å; A414-I416 VanDerWaalsContact C-N 3.31Å; A414-I416 PolarHBondContact O-N 3.33Å; A414-Q417 PolarHBondContact O-N 3.28Å; A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 2.96Å; A414-F427 WeakPolarHBondContact CB-O 3.24Å; A414-F427 WeakPolarHBondContact O-CB 3.25Å; A414-Y430 HydrophobicContact CB-CD1 3.79Å; A414-A431 HydrophobicContact CB-CB 3.79Å
415	L	95.6	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-37.3	174.1	-69.7	179.9	0	0	0	113.2	I263 P264 F276 I280 G411 L412 W413 L428 A431 F435	I263-L415 HydrophobicContact CD1-CD1 4.1Å; I263-L415 HydrophobicContact CG1-CD1 4.42Å; I263-L415 HydrophobicContact CG2-CB 4.46Å; I263-L415 HydrophobicContact CG2-CD1 4.08Å; P264-L415 WeakPolarHBondContact CD-O 3.44Å; F276-L415 HydrophobicContact CD2-CD2 4.14Å; F276-L415 HydrophobicContact CE2-CD2 4.08Å; I280-L415 HydrophobicContact CD1-CD2 3.83Å; I280-L415 HydrophobicContact CG1-CD2 3.96Å; I280-L415 HydrophobicContact CG2-CD1 3.95Å; I280-L415 HydrophobicContact CG2-CD2 4.4Å; G411-L415 WeakPolarHBondContact O-CG 3.21Å; G411-L415 PolarHBondContact O-N 3.43Å; G411-L415 VanDerWaalsContact O-N 3.1Å; L412-L415 PolarHBondContact O-N 2.95Å; W413-L415 PolarHBondContact O-N 2.88Å; L415-L428 HydrophobicContact CD2-CD1 3.86Å; L415-A431 HydrophobicContact CD2-CB 3.68Å; L415-A431 HydrophobicContact CG-CB 3.91Å; L415-F435 HydrophobicContact CD1-CE2 3.8Å; L415-F435 HydrophobicContact CD1-CZ 4.24Å; L415-F435 HydrophobicContact CG-CE2 4.22Å
416	I	93.4	Very high	91.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-46.9	175.5	-61.4	163.4	0	0	0	109.2	L176 Y259 L262 L412 W413 A414 A418 K419 Y420	L176-I416 HydrophobicContact CD2-CB 4.43Å; L176-I416 HydrophobicContact CD2-CD1 3.67Å; L176-I416 HydrophobicContact CD2-CG2 4.13Å; Y259-I416 HydrophobicContact CD1-CD1 4.16Å; Y259-I416 HydrophobicContact CD2-CD1 4.39Å; Y259-I416 HydrophobicContact CG-CD1 3.84Å; L262-I416 HydrophobicContact CB-CD1 3.96Å; L262-I416 HydrophobicContact CB-CG1 4.07Å; L262-I416 HydrophobicContact CD1-CD1 4.48Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.11Å; W413-I416 PolarHBondContact O-N 3.49Å; A414-I416 VanDerWaalsContact C-N 3.31Å; A414-I416 PolarHBondContact O-N 3.33Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 2.89Å; I416-K419 PolarHBondContact O-N 2.86Å; I416-K419 VanDerWaalsContact O-N 3.11Å; I416-Y420 HydrophobicContact CG2-CD2 3.74Å; I416-Y420 HydrophobicContact CG2-CE2 4.19Å; I416-Y420 VanDerWaalsContact O-CD2 3.24Å; I416-Y420 WeakPolarHBondContact O-CD2 3.29Å; I416-Y420 PolarHBondContact O-N 2.84Å
417	Q	90.8	Very high	91.5	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-36.3	179.5	-69.3	-68.9	5.9	0	0	112.7	L176 W413 A414 K419 Y420 S421 F427	L176-Q417 HydrophobicContact CD1-CG 4.26Å; W413-Q417 HydrophobicContact CD2-CG 3.93Å; W413-Q417 HydrophobicContact CE3-CG 4.24Å; W413-Q417 HydrophobicContact CH2-CG 4.06Å; W413-Q417 HydrophobicContact CZ2-CG 3.76Å; W413-Q417 HydrophobicContact CZ3-CG 4.29Å; W413-Q417 WeakPolarHBondContact O-CG 3.44Å; W413-Q417 PolarHBondContact O-N 2.96Å; A414-Q417 PolarHBondContact O-N 3.28Å; Q417-K419 PolarHBondContact O-N 3.3Å; Q417-Y420 PolarHBondContact O-N 3.34Å; Q417-Y420 VanDerWaalsContact O-N 3.16Å; Q417-S421 WeakPolarHBondContact O-CB 3.23Å; Q417-S421 PolarHBondContact O-N 3.48Å; Q417-S421 VanDerWaalsContact OE1-CB 3.25Å; Q417-F427 HydrophobicContact CB-CB 4.28Å; Q417-F427 HydrophobicContact CB-CD1 3.3Å; Q417-F427 HydrophobicContact CB-CD2 4.11Å; Q417-F427 HydrophobicContact CB-CE1 3.53Å; Q417-F427 HydrophobicContact CB-CE2 4.3Å; Q417-F427 HydrophobicContact CB-CG 3.63Å; Q417-F427 HydrophobicContact CB-CZ 4.03Å; Q417-F427 HydrophobicContact CG-CD1 4.1Å; Q417-F427 HydrophobicContact CG-CE1 3.96Å
418	A	92	Very high	91.3	Very high	30 Å²	30	37.4 Å²	37.4	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-56.3	-24.5	175.8	0	0	0	0	0	113.4	F267 A414 I416 F427 L428	F267-A418 HydrophobicContact CE1-CB 3.95Å; F267-A418 HydrophobicContact CZ-CB 3.94Å; A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 2.96Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 2.89Å; A418-F427 HydrophobicContact CB-CB 3.77Å; A418-L428 HydrophobicContact CB-CB 4.34Å
419	K	89.8	Confident	91.2	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	20%	0.195	S	C	.	.	H	α-helix	trans	-95.7	-34.3	177.1	177	162.1	172.1	-178.2	0	114	P264 F267 I416 Q417	P264-K419 HydrophobicContact CB-CB 4.46Å; P264-K419 HydrophobicContact CB-CD 3.65Å; P264-K419 HydrophobicContact CG-CB 4.39Å; P264-K419 HydrophobicContact CG-CD 4.41Å; F267-K419 HydrophobicContact CE1-CB 4.02Å; I416-K419 PolarHBondContact O-N 2.86Å; I416-K419 VanDerWaalsContact O-N 3.11Å; Q417-K419 PolarHBondContact O-N 3.3Å
420	Y	86.6	Confident	91.1	Very high	68 Å²	68	38.2 Å²	38.2	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-114.1	-21.6	-166	-62.5	-65.4	0	0	0	114.6	K172 L175 I416 Q417	K172-Y420 HydrophobicContact CD-CD1 4.27Å; L175-Y420 HydrophobicContact CD1-CD2 4.39Å; I416-Y420 HydrophobicContact CG2-CD2 3.74Å; I416-Y420 HydrophobicContact CG2-CE2 4.19Å; I416-Y420 VanDerWaalsContact O-CD2 3.24Å; I416-Y420 WeakPolarHBondContact O-CD2 3.29Å; I416-Y420 PolarHBondContact O-N 2.84Å; Q417-Y420 PolarHBondContact O-N 3.34Å; Q417-Y420 VanDerWaalsContact O-N 3.16Å
421	S	82.3	Confident	91.1	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	19%	0.194	C	C	.	.			trans	-69.2	145.3	-179.7	-164.6	0	0	0	0	111.2	Q417 I423 F427	Q417-S421 WeakPolarHBondContact O-CB 3.23Å; Q417-S421 PolarHBondContact O-N 3.48Å; Q417-S421 VanDerWaalsContact OE1-CB 3.25Å; S421-I423 PolarHBondContact OG-N 2.84Å; S421-F427 WeakPolarHBondContact OG-CE2 3.48Å; S421-F427 WeakPolarHBondContact OG-CZ 3.48Å
422	T	79.7	Confident	91	Very high	113 Å²	113	38.6 Å²	38.6	69%	0.693	20%	0.199	S	C	*	.			trans	-101.4	4.5	170.7	55.2	0	0	0	0	112.2
423	I	78.6	Confident	91	Very high	67 Å²	67	41.2 Å²	41.2	34%	0.344	22%	0.215	S	C	.	.	S	Bend	trans	-86.9	138.8	-175.6	-67.7	168.1	0	0	0	109.7	I147 S421 F425 F427	I147-I423 VanDerWaalsContact C-CD1 3.43Å; I147-I423 WeakPolarHBondContact O-CD1 3.49Å; S421-I423 PolarHBondContact OG-N 2.84Å; I423-F425 VanDerWaalsContact C-N 3.33Å; I423-F425 HydrophobicContact CG2-CB 4.34Å; I423-F425 PolarHBondContact O-N 3.37Å; I423-F427 HydrophobicContact CB-CE2 4.42Å; I423-F427 HydrophobicContact CB-CZ 4.42Å
424	E	83.2	Confident	91.1	Very high	204 Å²	204	41.1 Å²	41.1	95%	0.953	22%	0.215	S	C	*	.	S	Bend	trans	-75.8	83	178.8	-168.2	178.3	-179	0	0	110.5
425	F	86.8	Confident	91.3	Very high	49 Å²	49	41.1 Å²	41.1	22%	0.215	22%	0.215	C	C	.	.	S	Bend	trans	-147.4	139.7	177.9	179.4	-94	0	0	0	109.8	V352 I423 F427 Y430	V352-F425 HydrophobicContact CG1-CE2 4.25Å; V352-F425 HydrophobicContact CG1-CZ 4.1Å; I423-F425 VanDerWaalsContact C-N 3.33Å; I423-F425 HydrophobicContact CG2-CB 4.34Å; I423-F425 PolarHBondContact O-N 3.37Å; F425-F427 HydrophobicContact CB-CD2 4.24Å; F425-F427 HydrophobicContact CB-CE1 4.49Å; F425-F427 HydrophobicContact CB-CE2 3.84Å; F425-F427 HydrophobicContact CB-CZ 3.97Å; F425-F427 HydrophobicContact CD1-CB 4.29Å; F425-F427 AromaticContact CD1-CD1 3.44Å; F425-F427 HydrophobicContact CD1-CD1 3.44Å; F425-F427 VanDerWaalsContact CD1-CD1 3.44Å; F425-F427 AromaticContact CD1-CD2 4Å; F425-F427 HydrophobicContact CD1-CD2 4Å; F425-F427 AromaticContact CD1-CE1 3.58Å; F425-F427 HydrophobicContact CD1-CE1 3.58Å; F425-F427 HydrophobicContact CD1-CE2 4.12Å; F425-F427 AromaticContact CD1-CG 3.65Å; F425-F427 HydrophobicContact CD1-CG 3.65Å; F425-F427 AromaticContact CD1-CZ 3.93Å; F425-F427 HydrophobicContact CD1-CZ 3.93Å; F425-F427 AromaticContact CE1-CD1 3.88Å; F425-F427 HydrophobicContact CE1-CD1 3.88Å; F425-F427 HydrophobicContact CE1-CE1 4.19Å; F425-F427 HydrophobicContact CE1-CG 4.34Å; F425-F427 HydrophobicContact CG-CE1 4.35Å; F425-F427 HydrophobicContact CG-CE2 4.47Å; F425-F427 HydrophobicContact CG-CZ 4.32Å; F425-F427 VanDerWaalsContact O-CD2 3.27Å; F425-F427 WeakPolarHBondContact O-CD2 3.48Å; F425-F427 PolarHBondContact O-N 2.97Å; F425-Y430 HydrophobicContact CE1-CD1 4.18Å; F425-Y430 AromaticContact CE1-CG 3.89Å; F425-Y430 HydrophobicContact CE1-CG 3.89Å; F425-Y430 HydrophobicContact CZ-CD1 4.4Å; F425-Y430 HydrophobicContact CZ-CD2 4.09Å; F425-Y430 AromaticContact CZ-CG 3.88Å; F425-Y430 HydrophobicContact CZ-CG 3.88Å
426	D	91.3	Very high	91.3	Very high	82 Å²	82	45.5 Å²	45.5	44%	0.439	24%	0.238	S	C	.	.			trans	-76.9	72.5	176.8	-172.6	10.1	0	0	0	110.9	R275 L428 G429 Y430	R275-D426 IonicContact CZ-OD2 2.81Å; R275-D426 IonicContact NH1-OD1 3.4Å; R275-D426 IonicContact NH1-OD2 3.93Å; R275-D426 PolarHBondContact NH1-OD2 2.96Å; R275-D426 IonicContact NH2-OD1 3.71Å; R275-D426 IonicContact NH2-OD2 3.31Å; R275-D426 PolarHBondContact NH2-OD2 3.43Å; R275-D426 VanDerWaalsContact NH2-OD2 3.12Å; D426-L428 PolarHBondContact O-N 2.83Å; D426-G429 VanDerWaalsContact CG-N 3.34Å; D426-G429 PolarHBondContact O-N 3.35Å; D426-G429 PolarHBondContact OD1-N 2.87Å; D426-G429 WeakPolarHBondContact OD2-CA 3.43Å; D426-Y430 WeakPolarHBondContact O-CB 3.43Å; D426-Y430 PolarHBondContact O-N 3.46Å
427	F	93.3	Very high	91.5	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-36	178.9	-70.8	-73.7	0	0	0	112.6	W413 A414 Q417 A418 S421 I423 F425 Y430 A431	W413-F427 HydrophobicContact CH2-CD1 4.13Å; W413-F427 AromaticContact CH2-CE1 3.58Å; W413-F427 HydrophobicContact CH2-CE1 3.58Å; W413-F427 HydrophobicContact CZ2-CE1 4.45Å; W413-F427 AromaticContact CZ3-CD1 3.9Å; W413-F427 HydrophobicContact CZ3-CD1 3.9Å; W413-F427 AromaticContact CZ3-CE1 3.84Å; W413-F427 HydrophobicContact CZ3-CE1 3.84Å; A414-F427 WeakPolarHBondContact CB-O 3.24Å; A414-F427 WeakPolarHBondContact O-CB 3.25Å; Q417-F427 HydrophobicContact CB-CB 4.28Å; Q417-F427 HydrophobicContact CB-CD1 3.3Å; Q417-F427 HydrophobicContact CB-CD2 4.11Å; Q417-F427 HydrophobicContact CB-CE1 3.53Å; Q417-F427 HydrophobicContact CB-CE2 4.3Å; Q417-F427 HydrophobicContact CB-CG 3.63Å; Q417-F427 HydrophobicContact CB-CZ 4.03Å; Q417-F427 HydrophobicContact CG-CD1 4.1Å; Q417-F427 HydrophobicContact CG-CE1 3.96Å; A418-F427 HydrophobicContact CB-CB 3.77Å; S421-F427 WeakPolarHBondContact OG-CE2 3.48Å; S421-F427 WeakPolarHBondContact OG-CZ 3.48Å; I423-F427 HydrophobicContact CB-CE2 4.42Å; I423-F427 HydrophobicContact CB-CZ 4.42Å; F425-F427 HydrophobicContact CB-CD2 4.24Å; F425-F427 HydrophobicContact CB-CE1 4.49Å; F425-F427 HydrophobicContact CB-CE2 3.84Å; F425-F427 HydrophobicContact CB-CZ 3.97Å; F425-F427 HydrophobicContact CD1-CB 4.29Å; F425-F427 AromaticContact CD1-CD1 3.44Å; F425-F427 HydrophobicContact CD1-CD1 3.44Å; F425-F427 VanDerWaalsContact CD1-CD1 3.44Å; F425-F427 AromaticContact CD1-CD2 4Å; F425-F427 HydrophobicContact CD1-CD2 4Å; F425-F427 AromaticContact CD1-CE1 3.58Å; F425-F427 HydrophobicContact CD1-CE1 3.58Å; F425-F427 HydrophobicContact CD1-CE2 4.12Å; F425-F427 AromaticContact CD1-CG 3.65Å; F425-F427 HydrophobicContact CD1-CG 3.65Å; F425-F427 AromaticContact CD1-CZ 3.93Å; F425-F427 HydrophobicContact CD1-CZ 3.93Å; F425-F427 AromaticContact CE1-CD1 3.88Å; F425-F427 HydrophobicContact CE1-CD1 3.88Å; F425-F427 HydrophobicContact CE1-CE1 4.19Å; F425-F427 HydrophobicContact CE1-CG 4.34Å; F425-F427 HydrophobicContact CG-CE1 4.35Å; F425-F427 HydrophobicContact CG-CE2 4.47Å; F425-F427 HydrophobicContact CG-CZ 4.32Å; F425-F427 VanDerWaalsContact O-CD2 3.27Å; F425-F427 WeakPolarHBondContact O-CD2 3.48Å; F425-F427 PolarHBondContact O-N 2.97Å; F427-Y430 PolarHBondContact O-N 2.85Å; F427-A431 WeakPolarHBondContact O-CB 3.47Å; F427-A431 PolarHBondContact O-N 3.34Å
428	L	95.4	Very high	91.9	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-45.3	177.5	-179.3	61.6	0	0	0	110.8	I272 R275 F276 I280 L415 A418 D426 Y430 A431 I432	I272-L428 HydrophobicContact CG2-CD2 3.7Å; I272-L428 WeakPolarHBondContact O-CD2 3.29Å; R275-L428 HydrophobicContact CB-CD2 3.85Å; F276-L428 HydrophobicContact CB-CD1 4.28Å; F276-L428 HydrophobicContact CB-CD2 4.25Å; F276-L428 HydrophobicContact CD2-CD1 4.17Å; I280-L428 HydrophobicContact CD1-CD1 4.11Å; I280-L428 HydrophobicContact CG1-CD1 3.9Å; L415-L428 HydrophobicContact CD2-CD1 3.86Å; A418-L428 HydrophobicContact CB-CB 4.34Å; D426-L428 PolarHBondContact O-N 2.83Å; L428-Y430 VanDerWaalsContact C-N 3.31Å; L428-Y430 PolarHBondContact O-N 3.45Å; L428-A431 WeakPolarHBondContact O-CB 3.5Å; L428-A431 PolarHBondContact O-N 3.02Å; L428-I432 HydrophobicContact CG-CD1 4.2Å; L428-I432 VanDerWaalsContact O-CG1 3.29Å; L428-I432 WeakPolarHBondContact O-CG1 3.32Å; L428-I432 PolarHBondContact O-N 3.38Å
429	G	95.3	Very high	92.2	Very high	11 Å²	11	47.9 Å²	47.9	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-44.9	173	0	0	0	0	0	112.3	D426 A431 I432 V433	D426-G429 VanDerWaalsContact CG-N 3.34Å; D426-G429 PolarHBondContact O-N 3.35Å; D426-G429 PolarHBondContact OD1-N 2.87Å; D426-G429 WeakPolarHBondContact OD2-CA 3.43Å; G429-A431 PolarHBondContact O-N 3.43Å; G429-I432 PolarHBondContact O-N 3.04Å; G429-V433 WeakPolarHBondContact O-CG2 3.3Å; G429-V433 PolarHBondContact O-N 3.04Å
430	Y	95.7	Very high	92.5	Very high	15 Å²	15	49.9 Å²	49.9	6%	0.059	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-44.4	175.9	-173.6	-115.2	0	0	0	112.2	V352 V355 W413 A414 F425 D426 F427 L428 I432 V433 R434	V352-Y430 HydrophobicContact CG1-CE2 4.15Å; V355-Y430 HydrophobicContact CG2-CD2 4.15Å; V355-Y430 HydrophobicContact CG2-CE2 4.07Å; W413-Y430 HydrophobicContact CZ3-CD1 4.44Å; W413-Y430 HydrophobicContact CZ3-CE1 4.36Å; A414-Y430 HydrophobicContact CB-CD1 3.79Å; F425-Y430 HydrophobicContact CE1-CD1 4.18Å; F425-Y430 AromaticContact CE1-CG 3.89Å; F425-Y430 HydrophobicContact CE1-CG 3.89Å; F425-Y430 HydrophobicContact CZ-CD1 4.4Å; F425-Y430 HydrophobicContact CZ-CD2 4.09Å; F425-Y430 AromaticContact CZ-CG 3.88Å; F425-Y430 HydrophobicContact CZ-CG 3.88Å; D426-Y430 WeakPolarHBondContact O-CB 3.43Å; D426-Y430 PolarHBondContact O-N 3.46Å; F427-Y430 PolarHBondContact O-N 2.85Å; L428-Y430 VanDerWaalsContact C-N 3.31Å; L428-Y430 PolarHBondContact O-N 3.45Å; Y430-I432 VanDerWaalsContact C-N 3.34Å; Y430-I432 PolarHBondContact O-N 3.18Å; Y430-V433 PolarHBondContact O-N 3.42Å; Y430-R434 HydrophobicContact CD1-CG 4.31Å; Y430-R434 HydrophobicContact CD2-CG 4.48Å; Y430-R434 HydrophobicContact CE1-CG 4.05Å; Y430-R434 HydrophobicContact CE2-CG 4.21Å; Y430-R434 VanDerWaalsContact O-CG 3.31Å; Y430-R434 WeakPolarHBondContact O-CG 3.32Å; Y430-R434 PolarHBondContact O-N 3.47Å; Y430-R434 PolarHBondContact OH-NH1 3.2Å
431	A	97.1	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-46.9	175.1	0	0	0	0	0	112	I280 A414 L415 F427 L428 G429 V433 R434 F435	I280-A431 HydrophobicContact CD1-CB 4.11Å; A414-A431 HydrophobicContact CB-CB 3.79Å; L415-A431 HydrophobicContact CD2-CB 3.68Å; L415-A431 HydrophobicContact CG-CB 3.91Å; F427-A431 WeakPolarHBondContact O-CB 3.47Å; F427-A431 PolarHBondContact O-N 3.34Å; L428-A431 WeakPolarHBondContact O-CB 3.5Å; L428-A431 PolarHBondContact O-N 3.02Å; G429-A431 PolarHBondContact O-N 3.43Å; A431-V433 VanDerWaalsContact C-N 3.35Å; A431-V433 PolarHBondContact O-N 2.93Å; A431-R434 PolarHBondContact O-N 2.87Å; A431-F435 HydrophobicContact CB-CE2 4.39Å; A431-F435 WeakPolarHBondContact O-CD2 3.43Å; A431-F435 PolarHBondContact O-N 2.96Å
432	I	96.5	Very high	93.7	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.092	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-48.3	177.6	-66.2	162.6	0	0	0	110.3	D279 I280 L428 G429 Y430 R434 F435 N436	D279-I432 HydrophobicContact CB-CD1 3.61Å; D279-I432 HydrophobicContact CB-CG1 3.84Å; D279-I432 HydrophobicContact CB-CG2 4.22Å; I280-I432 HydrophobicContact CD1-CB 4.38Å; I280-I432 HydrophobicContact CD1-CG1 3.48Å; I280-I432 VanDerWaalsContact CD1-CG1 3.48Å; I280-I432 HydrophobicContact CG1-CG1 4.23Å; L428-I432 HydrophobicContact CG-CD1 4.2Å; L428-I432 VanDerWaalsContact O-CG1 3.29Å; L428-I432 WeakPolarHBondContact O-CG1 3.32Å; L428-I432 PolarHBondContact O-N 3.38Å; G429-I432 PolarHBondContact O-N 3.04Å; Y430-I432 VanDerWaalsContact C-N 3.34Å; Y430-I432 PolarHBondContact O-N 3.18Å; I432-R434 PolarHBondContact O-N 3.25Å; I432-F435 PolarHBondContact O-N 3Å; I432-N436 WeakPolarHBondContact CG2-ND2 3.36Å; I432-N436 WeakPolarHBondContact O-CB 3.37Å; I432-N436 VanDerWaalsContact O-CG 3.23Å; I432-N436 PolarHBondContact O-N 2.79Å; I432-N436 PolarHBondContact O-ND2 2.98Å
433	V	96.8	Very high	94.5	Very high	55 Å²	55	46.3 Å²	46.3	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-61.5	-41.9	-179.8	171	0	0	0	0	111.6	V355 Y357 G429 Y430 A431 Q437	V355-V433 HydrophobicContact CB-CG1 4.09Å; V355-V433 HydrophobicContact CG1-CG1 3.77Å; V355-V433 HydrophobicContact CG2-CG1 4.31Å; Y357-V433 HydrophobicContact CE2-CG1 3.57Å; G429-V433 WeakPolarHBondContact O-CG2 3.3Å; G429-V433 PolarHBondContact O-N 3.04Å; Y430-V433 PolarHBondContact O-N 3.42Å; A431-V433 VanDerWaalsContact C-N 3.35Å; A431-V433 PolarHBondContact O-N 2.93Å; V433-Q437 WeakPolarHBondContact O-CB 3.31Å; V433-Q437 PolarHBondContact O-N 3.38Å; V433-Q437 VanDerWaalsContact O-N 3.1Å
434	R	98	Very high	95.2	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-45.5	177.5	-62	-69	-72.8	-141.4	12.2	111.9	E348 Y357 S406 H407 Y430 A431 I432 Q437 Y438	E348-R434 IonicContact OE1-CZ 3.47Å; E348-R434 IonicContact OE1-NH1 3.12Å; E348-R434 PolarHBondContact OE1-NH1 2.89Å; E348-R434 IonicContact OE1-NH2 2.66Å; Y357-R434 WeakPolarHBondContact OH-CD 3.43Å; S406-R434 PolarHBondContact O-NH2 3.41Å; S406-R434 PolarHBondContact OG-NH2 3.43Å; H407-R434 WeakPolarHBondContact O-CB 3.29Å; Y430-R434 HydrophobicContact CD1-CG 4.31Å; Y430-R434 HydrophobicContact CD2-CG 4.48Å; Y430-R434 HydrophobicContact CE1-CG 4.05Å; Y430-R434 HydrophobicContact CE2-CG 4.21Å; Y430-R434 VanDerWaalsContact O-CG 3.31Å; Y430-R434 WeakPolarHBondContact O-CG 3.32Å; Y430-R434 PolarHBondContact O-N 3.47Å; Y430-R434 PolarHBondContact OH-NH1 3.2Å; A431-R434 PolarHBondContact O-N 2.87Å; I432-R434 PolarHBondContact O-N 3.25Å; R434-Q437 PolarHBondContact O-N 2.96Å; R434-Y438 PolarHBondContact O-N 2.94Å
435	F	98.3	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-40.9	177.8	-72.5	-58.2	0	0	0	112.6	I280 P281 L286 F408 L412 L415 A431 I432 Q437 Y438 F439	I280-F435 HydrophobicContact CD1-CD2 4.06Å; I280-F435 HydrophobicContact CD1-CE2 4.43Å; P281-F435 HydrophobicContact CG-CB 4.29Å; P281-F435 HydrophobicContact CG-CG 4.41Å; L286-F435 HydrophobicContact CD2-CD1 3.98Å; L286-F435 HydrophobicContact CD2-CE1 3.55Å; L286-F435 HydrophobicContact CD2-CZ 3.9Å; F408-F435 HydrophobicContact CD1-CE1 4.12Å; F408-F435 HydrophobicContact CD2-CD1 4.13Å; F408-F435 AromaticContact CD2-CE1 3.91Å; F408-F435 HydrophobicContact CD2-CE1 3.91Å; F408-F435 HydrophobicContact CE1-CE1 4.15Å; F408-F435 HydrophobicContact CE2-CD1 4.24Å; F408-F435 AromaticContact CE2-CE1 3.94Å; F408-F435 HydrophobicContact CE2-CE1 3.94Å; F408-F435 HydrophobicContact CG-CE1 4.02Å; F408-F435 HydrophobicContact CZ-CE1 4.07Å; L412-F435 HydrophobicContact CD2-CE1 4.5Å; L412-F435 HydrophobicContact CD2-CZ 3.99Å; L412-F435 HydrophobicContact CG-CZ 4.38Å; L415-F435 HydrophobicContact CD1-CE2 3.8Å; L415-F435 HydrophobicContact CD1-CZ 4.24Å; L415-F435 HydrophobicContact CG-CE2 4.22Å; A431-F435 HydrophobicContact CB-CE2 4.39Å; A431-F435 WeakPolarHBondContact O-CD2 3.43Å; A431-F435 PolarHBondContact O-N 2.96Å; I432-F435 PolarHBondContact O-N 3Å; F435-Q437 VanDerWaalsContact C-N 3.31Å; F435-Q437 PolarHBondContact O-N 2.96Å; F435-Y438 WeakPolarHBondContact O-CB 3.11Å; F435-Y438 PolarHBondContact O-N 3.37Å; F435-F439 WeakPolarHBondContact O-CD2 3.35Å; F435-F439 PolarHBondContact O-N 3.24Å
436	N	97.4	Very high	95.8	Very high	92 Å²	92	40.3 Å²	40.3	49%	0.492	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-43.1	176.5	-75.5	-16.7	0	0	0	111.5	I432 F439 K440	I432-N436 WeakPolarHBondContact CG2-ND2 3.36Å; I432-N436 WeakPolarHBondContact O-CB 3.37Å; I432-N436 VanDerWaalsContact O-CG 3.23Å; I432-N436 PolarHBondContact O-N 2.79Å; I432-N436 PolarHBondContact O-ND2 2.98Å; N436-F439 PolarHBondContact O-N 2.95Å; N436-K440 WeakPolarHBondContact O-CB 3.38Å; N436-K440 PolarHBondContact O-N 2.92Å
437	Q	97.8	Very high	95.8	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-39.5	177.1	-171.7	65.1	11.6	0	0	112.1	Y357 H407 V433 R434 F435 F439 K440 M441	Y357-Q437 HydrophobicContact CD1-CG 3.95Å; Y357-Q437 HydrophobicContact CD2-CB 4.06Å; Y357-Q437 HydrophobicContact CD2-CG 3.83Å; Y357-Q437 HydrophobicContact CE1-CB 4.34Å; Y357-Q437 HydrophobicContact CE1-CG 3.77Å; Y357-Q437 HydrophobicContact CE2-CB 3.45Å; Y357-Q437 VanDerWaalsContact CE2-CB 3.45Å; Y357-Q437 HydrophobicContact CE2-CG 3.59Å; Y357-Q437 HydrophobicContact CG-CG 3.99Å; H407-Q437 WeakPolarHBondContact NE2-CG 3.5Å; V433-Q437 WeakPolarHBondContact O-CB 3.31Å; V433-Q437 PolarHBondContact O-N 3.38Å; V433-Q437 VanDerWaalsContact O-N 3.1Å; R434-Q437 PolarHBondContact O-N 2.96Å; F435-Q437 VanDerWaalsContact C-N 3.31Å; F435-Q437 PolarHBondContact O-N 2.96Å; Q437-F439 PolarHBondContact O-N 3.27Å; Q437-K440 PolarHBondContact O-N 3.04Å; Q437-M441 HydrophobicContact CG-CG 4.26Å; Q437-M441 HydrophobicContact CG-SD 3.75Å; Q437-M441 PolarHBondContact NE2-SD 2.91Å; Q437-M441 WeakPolarHBondContact O-CB 3.48Å; Q437-M441 WeakPolarHBondContact O-CG 3.18Å; Q437-M441 PolarHBondContact O-N 2.93Å
438	Y	98.3	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-52.6	-54.3	171.5	169.2	-92.1	0	0	0	112	E289 M293 L404 F408 R434 F435 K440 M441 K442	E289-Y438 HydrophobicContact CB-CE1 4.32Å; E289-Y438 HydrophobicContact CG-CE1 4.15Å; E289-Y438 VanDerWaalsContact OE2-CE1 3.3Å; E289-Y438 WeakPolarHBondContact OE2-CE1 3.14Å; E289-Y438 VanDerWaalsContact OE2-CZ 3.28Å; E289-Y438 PolarHBondContact OE2-OH 3.49Å; M293-Y438 HydrophobicContact CE-CE2 4.38Å; M293-Y438 HydrophobicContact CG-CE2 4.15Å; M293-Y438 HydrophobicContact SD-CD2 4.49Å; M293-Y438 HydrophobicContact SD-CE2 3.57Å; M293-Y438 VanDerWaalsContact SD-CE2 3.57Å; L404-Y438 HydrophobicContact CB-CD2 3.75Å; L404-Y438 HydrophobicContact CB-CE2 3.68Å; L404-Y438 HydrophobicContact CD1-CE2 4.41Å; L404-Y438 HydrophobicContact CD2-CD2 4.04Å; L404-Y438 HydrophobicContact CD2-CE2 4.37Å; L404-Y438 HydrophobicContact CG-CD2 4.42Å; L404-Y438 HydrophobicContact CG-CE2 4.39Å; L404-Y438 WeakPolarHBondContact O-CD2 3.24Å; F408-Y438 HydrophobicContact CB-CD2 4.3Å; F408-Y438 HydrophobicContact CD2-CD1 4.18Å; F408-Y438 HydrophobicContact CD2-CD2 4.1Å; F408-Y438 HydrophobicContact CD2-CE1 4.14Å; F408-Y438 HydrophobicContact CD2-CE2 4.02Å; F408-Y438 HydrophobicContact CD2-CG 4.19Å; F408-Y438 HydrophobicContact CE2-CE1 4.38Å; R434-Y438 PolarHBondContact O-N 2.94Å; F435-Y438 WeakPolarHBondContact O-CB 3.11Å; F435-Y438 PolarHBondContact O-N 3.37Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 2.94Å; Y438-M441 PolarHBondContact O-N 3.11Å; Y438-K442 HydrophobicContact CE1-CD 4.2Å; Y438-K442 WeakPolarHBondContact O-CB 3.4Å; Y438-K442 PolarHBondContact O-N 3.07Å
439	F	98.1	Very high	94.8	Very high	71 Å²	71	50.3 Å²	50.3	31%	0.311	26%	0.264	S	S	.	.	H	α-helix	trans	-68.5	-31.1	-177.8	-75	-70.9	0	0	0	112.9	P281 I285 E289 F435 N436 Q437 P443	P281-F439 HydrophobicContact CB-CE2 4.28Å; P281-F439 HydrophobicContact CG-CD2 4.46Å; P281-F439 HydrophobicContact CG-CE2 3.56Å; P281-F439 HydrophobicContact CG-CZ 4.26Å; I285-F439 HydrophobicContact CG2-CE1 4.4Å; I285-F439 HydrophobicContact CG2-CZ 3.83Å; E289-F439 HydrophobicContact CG-CE1 3.87Å; E289-F439 HydrophobicContact CG-CZ 3.89Å; F435-F439 WeakPolarHBondContact O-CD2 3.35Å; F435-F439 PolarHBondContact O-N 3.24Å; N436-F439 PolarHBondContact O-N 2.95Å; Q437-F439 PolarHBondContact O-N 3.27Å; F439-P443 WeakPolarHBondContact O-CD 3.23Å
440	K	97.1	Very high	93.9	Very high	135 Å²	135	53 Å²	53	59%	0.587	28%	0.277	S	S	*	.	H	α-helix	trans	-65.6	-46.6	173.8	-179.2	-175.9	170.7	-169.7	0	111.7	N436 Q437 Y438 P443	N436-K440 WeakPolarHBondContact O-CB 3.38Å; N436-K440 PolarHBondContact O-N 2.92Å; Q437-K440 PolarHBondContact O-N 3.04Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 2.94Å; K440-P443 WeakPolarHBondContact O-CD 3.19Å
441	M	96.1	Very high	93	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.059	29%	0.29	C	S	.	.	H	α-helix	trans	-77.1	-31.1	-176	-71.3	177.4	69.1	0	0	113.3	Y360 L404 H407 Q437 Y438 E444 V445	Y360-M441 HydrophobicContact CE1-CE 4.42Å; Y360-M441 HydrophobicContact CE2-CE 4.32Å; L404-M441 HydrophobicContact CD2-CB 3.79Å; H407-M441 PolarHBondContact NE2-SD 3.49Å; H407-M441 VanDerWaalsContact NE2-SD 3.36Å; Q437-M441 HydrophobicContact CG-CG 4.26Å; Q437-M441 HydrophobicContact CG-SD 3.75Å; Q437-M441 PolarHBondContact NE2-SD 2.91Å; Q437-M441 WeakPolarHBondContact O-CB 3.48Å; Q437-M441 WeakPolarHBondContact O-CG 3.18Å; Q437-M441 PolarHBondContact O-N 2.93Å; Y438-M441 PolarHBondContact O-N 3.11Å; M441-E444 PolarHBondContact O-N 2.82Å; M441-V445 HydrophobicContact CE-CG1 4.4Å; M441-V445 PolarHBondContact O-N 3.42Å
442	K	97.2	Very high	91.5	Very high	38 Å²	38	66.2 Å²	66.2	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-49.4	-49.6	-172.5	179.5	-179.6	176.7	179.3	0	113.7	E289 W292 L404 Y438 E444 T446	E289-K442 IonicContact OE1-NZ 2.71Å; E289-K442 PolarHBondContact OE1-NZ 3Å; E289-K442 IonicContact OE2-NZ 3.83Å; E289-K442 PolarHBondContact OE2-NZ 3.18Å; W292-K442 HydrophobicContact CE3-CD 4.49Å; W292-K442 HydrophobicContact CH2-CD 4.35Å; W292-K442 HydrophobicContact CH2-CG 4.14Å; W292-K442 HydrophobicContact CZ3-CD 4.18Å; W292-K442 HydrophobicContact CZ3-CG 4.33Å; L404-K442 HydrophobicContact CD1-CB 4.24Å; L404-K442 HydrophobicContact CD1-CG 4.27Å; L404-K442 HydrophobicContact CD2-CB 4.25Å; Y438-K442 HydrophobicContact CE1-CD 4.2Å; Y438-K442 WeakPolarHBondContact O-CB 3.4Å; Y438-K442 PolarHBondContact O-N 3.07Å; K442-E444 VanDerWaalsContact C-N 3.33Å; K442-E444 PolarHBondContact O-N 2.75Å; K442-T446 HydrophobicContact CG-CG2 4.2Å; K442-T446 VanDerWaalsContact O-CB 3.31Å; K442-T446 WeakPolarHBondContact O-CB 3.41Å; K442-T446 WeakPolarHBondContact O-CG2 3.41Å; K442-T446 PolarHBondContact O-N 3.25Å; K442-T446 VanDerWaalsContact O-N 3.1Å; K442-T446 PolarHBondContact O-OG1 2.86Å
443	P	96.8	Very high	91.2	Very high	85 Å²	85	68.6 Å²	68.6	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-62.3	-36.9	179.7	-22.1	34.2	0	0	0	113.7	F439 K440 T446 A447	F439-P443 WeakPolarHBondContact O-CD 3.23Å; K440-P443 WeakPolarHBondContact O-CD 3.19Å; P443-T446 PolarHBondContact O-OG1 3.24Å; P443-A447 PolarHBondContact O-N 3.32Å
444	E	92.9	Very high	90.9	Very high	132 Å²	132	69.3 Å²	69.3	62%	0.617	36%	0.358	S	S	*	.	H	α-helix	trans	-71.4	-49.1	-177.3	-63.3	177	-172.5	0	0	111.1	M441 K442 T446 A447	M441-E444 PolarHBondContact O-N 2.82Å; K442-E444 VanDerWaalsContact C-N 3.33Å; K442-E444 PolarHBondContact O-N 2.75Å; E444-T446 PolarHBondContact O-N 3.11Å; E444-A447 WeakPolarHBondContact O-CB 3.39Å; E444-A447 PolarHBondContact O-N 3.4Å
445	V	92.4	Very high	90.5	Very high	8 Å²	8	73 Å²	73	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-75.8	-26	-175.5	-54.3	0	0	0	0	112.7	N400 Q401 L404 M441 A447 L448	N400-V445 HydrophobicContact CB-CB 4.37Å; N400-V445 HydrophobicContact CB-CG1 3.99Å; Q401-V445 HydrophobicContact CG-CB 4.37Å; Q401-V445 HydrophobicContact CG-CG2 4.42Å; Q401-V445 WeakPolarHBondContact CG-O 3.43Å; Q401-V445 PolarHBondContact NE2-O 2.84Å; L404-V445 HydrophobicContact CD1-CG2 3.48Å; L404-V445 VanDerWaalsContact CD1-CG2 3.48Å; L404-V445 HydrophobicContact CD2-CG2 3.94Å; L404-V445 HydrophobicContact CG-CG2 3.72Å; M441-V445 HydrophobicContact CE-CG1 4.4Å; M441-V445 PolarHBondContact O-N 3.42Å; V445-A447 VanDerWaalsContact C-N 3.32Å; V445-L448 WeakPolarHBondContact O-CB 3.48Å; V445-L448 PolarHBondContact O-N 3.05Å
446	T	89.5	Confident	90.1	Very high	55 Å²	55	77.3 Å²	77.3	34%	0.337	40%	0.399	S	S	.	.	H	α-helix	trans	-79.2	-16.5	175	55.8	0	0	0	0	113.2	W292 K442 P443 E444	W292-T446 HydrophobicContact CH2-CG2 3.37Å; W292-T446 HydrophobicContact CZ2-CG2 3.46Å; W292-T446 VanDerWaalsContact CZ2-CG2 3.46Å; K442-T446 HydrophobicContact CG-CG2 4.2Å; K442-T446 VanDerWaalsContact O-CB 3.31Å; K442-T446 WeakPolarHBondContact O-CB 3.41Å; K442-T446 WeakPolarHBondContact O-CG2 3.41Å; K442-T446 PolarHBondContact O-N 3.25Å; K442-T446 VanDerWaalsContact O-N 3.1Å; K442-T446 PolarHBondContact O-OG1 2.86Å; P443-T446 PolarHBondContact O-OG1 3.24Å; E444-T446 PolarHBondContact O-N 3.11Å
447	A	91.9	Very high	89.6	Confident	73 Å²	73	76.4 Å²	76.4	60%	0.603	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.9	170.7	0	0	0	0	0	112.6	P443 E444 V445	P443-A447 PolarHBondContact O-N 3.32Å; E444-A447 WeakPolarHBondContact O-CB 3.39Å; E444-A447 PolarHBondContact O-N 3.4Å; V445-A447 VanDerWaalsContact C-N 3.32Å
448	L	88.4	Confident	89.1	Confident	53 Å²	53	80 Å²	80	28%	0.277	41%	0.413	S	S	.	.			trans	-69.1	128.1	175.7	-57.4	176.2	0	0	0	110.5	F396 I397 N400 V445	F396-L448 HydrophobicContact CD1-CD1 4.49Å; F396-L448 HydrophobicContact CE1-CD1 3.95Å; F396-L448 HydrophobicContact CE1-CD2 4.43Å; I397-L448 HydrophobicContact CG1-CB 4.1Å; I397-L448 HydrophobicContact CG2-CB 3.99Å; N400-L448 HydrophobicContact CB-CD1 4.24Å; V445-L448 WeakPolarHBondContact O-CB 3.48Å; V445-L448 PolarHBondContact O-N 3.05Å
449	K	80.2	Confident	88.4	Confident	179 Å²	179	85.7 Å²	85.7	78%	0.778	44%	0.443	S	S	*	.			trans	-115.8	130.4	179.8	-67	-172.2	179.5	-176.8	0	110.7	I397	I397-K449 VanDerWaalsContact CD1-O 3.22Å; I397-K449 WeakPolarHBondContact CD1-O 3.45Å
450	V	76.1	Confident	87.7	Confident	66 Å²	66	86.8 Å²	86.8	40%	0.4	45%	0.453	S	S	.	.			trans	-58.6	128.3	175.1	-175.5	0	0	0	0	108.6	I394 I397	I394-V450 HydrophobicContact CG1-CG1 4.09Å; I397-V450 HydrophobicContact CG2-CG2 4.09Å
451	P	76.7	Confident	86.9	Confident	50 Å²	50	82.8 Å²	82.8	33%	0.325	44%	0.442	S	S	.	.			trans	-59.6	136.8	175.6	-21.4	31	0	0	0	111.2	E393	E393-P451 HydrophobicContact CB-CG 4.43Å; E393-P451 HydrophobicContact CG-CG 3.82Å
452	E	64.4	Low	86.1	Confident	243 Å²	243	89.3 Å²	89.3	100%	1.136	48%	0.476	S	S	*	.			trans	-56.2	0	173	-66.1	-176.7	178.5	0	0	111.9	K390	K390-E452 PolarHBondContact NZ-O 3.34Å; K390-E452 PolarHBondContact NZ-OXT 3.01Å

Retrieved 452 of 452 residues in 95.3 ms (Link to these results)

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