A0A096N6C5_PAPAN Loading...

ethanolamine kinase

AlphaFold DB (F7H426), UniProt , Accession A0A096N6C5, Species PAPAN (Papio anubis, Olive baboon), Gene ETNK1, Length 452 aa.

Structure Viewer

Loading PAE data...

(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 235.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).