A0A087X0P1_HUMAN Loading...

Rho guanine nucleotide exchange factor 4

AlphaFold DB , UniProt , Accession A0A087X0P1, Species HUMAN (Homo sapiens, Human), Gene ARHGEF4, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.2	Very low	36.1	Very low	235 Å²	235	145.1 Å²	145.1	100%	1.158	78%	0.784	S	S	*	*				0	135.1	0	-73.1	-49.7	-174.7	0	0	108
2	P	54.3	Low	35.4	Very low	99 Å²	99	141.5 Å²	141.5	64%	0.643	78%	0.778	S	S	*	*				-135.3	-162.8	-96.8	40.9	-27.1	0	0	0	114.3
3	W	31	Very low	34.6	Very low	211 Å²	211	140.1 Å²	140.1	80%	0.799	78%	0.782	S	S	*	*			trans	65.5	138.3	149.2	96.6	-63.7	0	0	0	118.9
4	E	31.5	Very low	34	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	77%	0.773	S	S	*	*			cis	-157.4	158.1	1.1	-145.3	167.4	-119.2	0	0	113.5
5	E	39.1	Very low	33.6	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	78%	0.775	S	S	*	*			trans	-119.9	146.6	157	-83.4	-166.9	158.2	0	0	107.9
6	P	46.8	Very low	33.2	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	77%	0.767	S	S	*	*				-152.2	178.1	108.8	40.7	-24.3	0	0	0	112.9
7	A	32.3	Very low	32.9	Very low	103 Å²	103	139.9 Å²	139.9	85%	0.851	78%	0.776	S	S	*	*			cis	-145.5	174	-5.2	0	0	0	0	0	107
8	G	30.5	Very low	32.7	Very low	66 Å²	66	143.7 Å²	143.7	68%	0.68	78%	0.784	S	S	*	*			cis	115.1	140.3	23.2	0	0	0	0	0	110.4
9	E	31.4	Very low	32.3	Very low	152 Å²	152	141.5 Å²	141.5	71%	0.71	79%	0.787	S	S	*	*			cis	-164.4	156	0.9	-82.2	-157.7	116.6	0	0	113.7
10	K	31.6	Very low	32	Very low	161 Å²	161	144.6 Å²	144.6	70%	0.7	79%	0.792	S	S	*	*			trans	65.4	167.5	146.9	-72.4	161	-172.4	154.4	0	119.5
11	P	41.3	Very low	31.5	Very low	115 Å²	115	146.3 Å²	146.3	75%	0.747	79%	0.794	S	S	*	*			cis	-124.6	-171.6	-5.2	17.2	8.7	0	0	0	113.9
12	S	27.4	Very low	31.3	Very low	102 Å²	102	142 Å²	142	71%	0.713	77%	0.773	S	S	*	*			cis	-174.4	133.9	-48.7	61	0	0	0	0	113.4
13	C	25.5	Very low	29.9	Very low	123 Å²	123	144.5 Å²	144.5	83%	0.831	78%	0.776	S	S	*	*			trans	72.1	155.3	156	-106.4	0	0	0	0	120.6
14	S	26.2	Very low	29.8	Very low	93 Å²	93	140.4 Å²	140.4	65%	0.65	78%	0.777	S	S	*	*			cis	-154	159.3	17.8	58.3	0	0	0	0	116.5
15	H	27.6	Very low	29.4	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.796	77%	0.772	S	S	*	*			trans	46.8	153.6	144.6	-66.6	-21.7	0	0	0	124.2
16	S	26.8	Very low	28.7	Very low	94 Å²	94	135 Å²	135	66%	0.657	76%	0.764	S	S	*	*			cis	-173.3	137.7	-21.5	54.6	0	0	0	0	114.7
17	Q	29.1	Very low	27.8	Very low	198 Å²	198	137.7 Å²	137.7	93%	0.925	76%	0.764	S	S	*	*			trans	63.8	177.6	151.6	-70.8	-172.1	-13.8	0	0	121.2
18	K	29.6	Very low	27.8	Very low	208 Å²	208	138.5 Å²	138.5	90%	0.904	76%	0.761	S	S	*	*			trans	-125.2	150.9	-155.9	-53.1	173.7	178.6	177.7	0	113.8
19	A	24.8	Very low	27.4	Very low	102 Å²	102	140 Å²	140	84%	0.843	76%	0.759	S	S	*	*			trans	-160.3	163.4	151.5	0	0	0	0	0	111.6
20	F	26.2	Very low	27	Very low	204 Å²	204	141.5 Å²	141.5	90%	0.895	76%	0.764	S	S	*	*			trans	-122.6	144	172.9	-84.7	-100.4	0	0	0	109.7
21	H	20.8	Very low	26.7	Very low	181 Å²	181	139.4 Å²	139.4	84%	0.838	77%	0.765	S	S	*	*			trans	-170.4	-177.2	136.6	-117.8	-87.1	0	0	0	113.7
22	M	23.4	Very low	25.8	Very low	145 Å²	145	139.8 Å²	139.8	71%	0.714	77%	0.765	S	S	*	*			trans	-81.3	159.4	-155.3	-66.6	162.7	58.4	0	0	119.2
23	E	25.7	Very low	25.7	Very low	150 Å²	150	141.3 Å²	141.3	70%	0.701	77%	0.765	S	S	*	*			trans	28.8	147.6	136.6	-130.6	-162.6	132.8	0	0	122.6
24	P	27.6	Very low	25.6	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	77%	0.767	S	S	*	*				-149.1	179.9	96.8	40.8	-24.7	0	0	0	116.4
25	A	23	Very low	25.6	Very low	75 Å²	75	144.9 Å²	144.9	62%	0.62	77%	0.769	S	S	*	*			trans	-123.7	-177.8	177.8	0	0	0	0	0	111.8
26	Q	25.1	Very low	25.5	Very low	147 Å²	147	142.6 Å²	142.6	69%	0.687	77%	0.767	S	S	*	*			cis	-161.1	154.6	28	-64	175.6	76.1	0	0	113.7
27	K	27.7	Very low	25.4	Very low	175 Å²	175	149.7 Å²	149.7	76%	0.761	78%	0.78	S	S	*	*			trans	67.9	167.2	140.2	-75.9	170.2	-172.5	162.9	0	119.7
28	P	32.1	Very low	25.2	Very low	121 Å²	121	144.4 Å²	144.4	79%	0.786	77%	0.77	S	S	*	*			cis	-125.6	-175.6	7	42.3	-26.6	0	0	0	117.2
29	C	22.1	Very low	25	Very low	96 Å²	96	143 Å²	143	65%	0.649	77%	0.772	S	S	*	*			trans	-89.8	-173.6	178.4	-56	0	0	0	0	112
30	F	24.3	Very low	24.9	Very low	185 Å²	185	145.3 Å²	145.3	81%	0.811	77%	0.769	S	S	*	*			cis	-153.4	178.8	21.4	-51	-103.3	0	0	0	109.5
31	T	24.1	Very low	24.8	Very low	117 Å²	117	141.6 Å²	141.6	72%	0.718	77%	0.767	S	S	*	*			cis	-138	-144.9	2.4	-20.3	0	0	0	0	107.8
32	T	23.7	Very low	25	Very low	122 Å²	122	140.1 Å²	140.1	75%	0.748	76%	0.763	S	S	*	*			cis	-146.6	154.5	8.2	-43	0	0	0	0	111.3
33	D	24.6	Very low	25.2	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	77%	0.769	S	S	*	*			trans	-33.4	138.8	179.7	-47.6	-24.6	0	0	0	121.4
34	M	23.8	Very low	25.2	Very low	176 Å²	176	136.6 Å²	136.6	87%	0.867	78%	0.776	S	S	*	*			trans	-119.2	135.6	145.4	-91.6	-178.9	61.6	0	0	108.4
35	V	26.2	Very low	25.1	Very low	116 Å²	116	139 Å²	139	70%	0.703	78%	0.776	S	S	*	*			trans	-114.3	112.3	177.4	179	0	0	0	0	110.5
36	T	24.1	Very low	25.3	Very low	124 Å²	124	141.5 Å²	141.5	76%	0.761	78%	0.784	S	S	*	*			trans	-107.4	127.5	167.4	37.4	0	0	0	0	110
37	W	25.3	Very low	25.2	Very low	243 Å²	243	141.6 Å²	141.6	92%	0.92	79%	0.794	S	S	*	*			trans	-92.3	114.6	173	-85.9	101.3	0	0	0	110.6
38	A	25.3	Very low	25	Very low	86 Å²	86	145 Å²	145	71%	0.711	80%	0.802	S	S	*	*			trans	-89.2	151.8	171.9	0	0	0	0	0	111.3
39	L	24.3	Very low	24.6	Very low	180 Å²	180	142.7 Å²	142.7	94%	0.942	80%	0.801	S	S	*	*			trans	-112.7	134.3	159.8	-99.7	166.3	0	0	0	109
40	L	24.6	Very low	24.6	Very low	150 Å²	150	147.9 Å²	147.9	79%	0.785	82%	0.816	S	S	*	*			trans	-81.7	127.7	-164.1	-75	145.5	0	0	0	112.7	I42	L40-I42 HydrophobicContact CB-CG1 4.46Å
41	C	22.2	Very low	24.8	Very low	126 Å²	126	143.4 Å²	143.4	85%	0.851	81%	0.813	S	S	*	*			trans	-91.3	133.5	151.4	-67.6	0	0	0	0	108.6
42	I	26	Very low	25.1	Very low	149 Å²	149	143.3 Å²	143.3	76%	0.764	81%	0.814	S	S	*	*			trans	-126.9	127.8	172.8	-62.9	178.1	0	0	0	107.9	L40	L40-I42 HydrophobicContact CB-CG1 4.46Å
43	S	27.8	Very low	25.1	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	82%	0.816	S	S	*	*			trans	-118.4	132.3	178.4	-59	0	0	0	0	110.3
44	A	25.8	Very low	25.5	Very low	103 Å²	103	144.9 Å²	144.9	85%	0.851	82%	0.821	S	S	*	*			trans	-157.3	157.5	165.2	0	0	0	0	0	109.5
45	E	26.2	Very low	25.8	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.822	82%	0.818	S	S	*	*			trans	-110.3	163.3	-160.9	-63.2	176.2	97.9	0	0	115.3
46	T	25.2	Very low	25.8	Very low	127 Å²	127	148.4 Å²	148.4	78%	0.779	83%	0.828	S	S	*	*			trans	51.3	110.1	149.1	50.4	0	0	0	0	121.2
47	V	24.4	Very low	25.8	Very low	150 Å²	150	146 Å²	146	91%	0.909	83%	0.828	S	S	*	*			trans	-135.7	148.9	132.3	178.4	0	0	0	0	108.6
48	R	22.2	Very low	25.8	Very low	245 Å²	245	142.4 Å²	142.4	93%	0.925	83%	0.825	S	S	*	*			trans	-82.5	132.2	177.2	-77.6	-177.6	171.8	-171.2	-1.5	112.6
49	G	24.6	Very low	26.1	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	83%	0.827	S	S	*	*				75.6	113.3	118.4	0	0	0	0	0	120
50	E	22.8	Very low	26.6	Very low	204 Å²	204	144.2 Å²	144.2	95%	0.953	82%	0.823	S	S	*	*			trans	-157.6	163.8	132.1	-118.6	174.7	-164.4	0	0	109.9
51	A	27.5	Very low	26.7	Very low	91 Å²	91	148.7 Å²	148.7	75%	0.752	83%	0.83	S	S	*	*			trans	-145.9	143.6	173.7	0	0	0	0	0	109.1
52	P	30.7	Very low	27.3	Very low	116 Å²	116	147.7 Å²	147.7	75%	0.753	82%	0.824	S	S	*	*				-151.5	159.6	116.3	37.4	-21.2	0	0	0	117.1
53	S	24.3	Very low	27.9	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	83%	0.826	S	S	*	*			trans	63.8	133.4	145.6	57.8	0	0	0	0	122.4
54	Q	31.4	Very low	28.6	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	82%	0.82	S	S	*	*			trans	-81.5	167.8	160.1	-58.2	-177.7	-12.7	0	0	111.4
55	P	31.5	Very low	29.6	Very low	122 Å²	122	144 Å²	144	79%	0.792	80%	0.797	S	S	*	*				-147.4	147.6	96.8	36.9	-20.9	0	0	0	117.5
56	R	25.4	Very low	30.2	Very low	243 Å²	243	141.3 Å²	141.3	92%	0.917	79%	0.793	S	S	*	*			trans	29.4	137.2	150.1	-64.7	-178.1	173.6	178.8	-2.1	122.1
57	G	24.4	Very low	31.4	Very low	73 Å²	73	140.6 Å²	140.6	75%	0.753	78%	0.784	S	S	*	*			trans	-72.7	177.8	179.6	0	0	0	0	0	116.6
58	I	25.7	Very low	32.4	Very low	168 Å²	168	137.7 Å²	137.7	86%	0.862	76%	0.763	S	S	*	*				-173.2	158.6	85.6	-86.1	165.5	0	0	0	107
59	P	31.6	Very low	34	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	74%	0.742	S	S	*	*			cis	-127.1	179.4	10.8	29.9	-8	0	0	0	116.1
60	H	34.4	Very low	35.5	Very low	189 Å²	189	135 Å²	135	88%	0.875	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-65.5	147.9	161.5	-77.9	-97.2	0	0	0	112.7
61	R	27.2	Very low	37.1	Very low	245 Å²	245	129.6 Å²	129.6	93%	0.925	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-103.5	141.9	147.1	-89.1	-172.9	169.6	-168.4	-2.9	109.1
62	S	35.1	Very low	38.9	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-76	156.1	169.4	51.3	0	0	0	0	111.4
63	P	37.7	Very low	40.3	Very low	123 Å²	123	130.2 Å²	130.2	80%	0.799	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.5	162.7	-15.5	30.3	0	0	0	110.5
64	V	41.8	Very low	42	Very low	116 Å²	116	127.5 Å²	127.5	70%	0.703	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-82.9	141	172.5	177	0	0	0	0	108.8	D68	V64-D68 HydrophobicContact CG1-CB 3.95Å
65	S	46.3	Very low	43	Very low	52 Å²	52	125 Å²	125	36%	0.364	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-73.9	152.2	179.2	-166.9	0	0	0	0	111.6	D67 D68	S65-D67 PolarHBondContact O-N 3.38Å; S65-D67 PolarHBondContact OG-N 2.84Å; S65-D67 PolarHBondContact OG-OD2 3.18Å; S65-D68 WeakPolarHBondContact CB-OD2 3.24Å; S65-D68 PolarHBondContact N-OD2 3.29Å; S65-D68 VanDerWaalsContact N-OD2 3.08Å; S65-D68 PolarHBondContact O-N 3.27Å
66	V	40.7	Very low	44.3	Very low	121 Å²	121	126.6 Å²	126.6	73%	0.733	65%	0.646	S	S	*	*	H	α-helix	trans	-61.5	-32.3	171	-179.9	0	0	0	0	110.6	L69 W70	V66-L69 PolarHBondContact O-N 3.39Å; V66-W70 PolarHBondContact O-N 3.01Å; V66-W70 VanDerWaalsContact O-N 3.11Å
67	D	49.3	Very low	46.1	Very low	111 Å²	111	122.2 Å²	122.2	59%	0.594	63%	0.634	S	S	*	*	H	α-helix	trans	-64.9	-38.8	178.2	-54	-64.3	0	0	0	112.8	S65 L69 W70 L71	S65-D67 PolarHBondContact O-N 3.38Å; S65-D67 PolarHBondContact OG-N 2.84Å; S65-D67 PolarHBondContact OG-OD2 3.18Å; D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.37Å; D67-W70 PolarHBondContact O-N 3.19Å; D67-W70 VanDerWaalsContact O-N 3.16Å; D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 3.24Å
68	D	44.9	Very low	48	Very low	89 Å²	89	126.2 Å²	126.2	48%	0.476	63%	0.63	S	S	.	*	H	α-helix	trans	-61.1	-41.7	177.2	-61.9	-49.9	0	0	0	110.5	V64 S65 W70 L71 E72	V64-D68 HydrophobicContact CG1-CB 3.95Å; S65-D68 WeakPolarHBondContact CB-OD2 3.24Å; S65-D68 PolarHBondContact N-OD2 3.29Å; S65-D68 VanDerWaalsContact N-OD2 3.08Å; S65-D68 PolarHBondContact O-N 3.27Å; D68-W70 VanDerWaalsContact C-N 3.32Å; D68-W70 PolarHBondContact O-N 3.14Å; D68-L71 PolarHBondContact O-N 3.04Å; D68-E72 PolarHBondContact O-N 3.01Å
69	L	55.8	Low	49.6	Very low	90 Å²	90	123.7 Å²	123.7	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-68.6	-31.6	178	-150.9	82	0	0	0	112.2	V66 D67 K73	V66-L69 PolarHBondContact O-N 3.39Å; D67-L69 VanDerWaalsContact C-N 3.28Å; D67-L69 PolarHBondContact O-N 3.37Å; L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 2.99Å
70	W	56.9	Low	51.3	Low	173 Å²	173	124.9 Å²	124.9	66%	0.655	61%	0.614	S	S	*	*	H	α-helix	trans	-73.9	-39.3	174.4	-167.6	95.5	0	0	0	111.8	V66 D67 D68 K73 T74	V66-W70 PolarHBondContact O-N 3.01Å; V66-W70 VanDerWaalsContact O-N 3.11Å; D67-W70 PolarHBondContact O-N 3.19Å; D67-W70 VanDerWaalsContact O-N 3.16Å; D68-W70 VanDerWaalsContact C-N 3.32Å; D68-W70 PolarHBondContact O-N 3.14Å; W70-K73 PolarHBondContact O-N 3.31Å; W70-T74 HydrophobicContact CZ3-CG2 4.35Å; W70-T74 VanDerWaalsContact O-CB 3.26Å; W70-T74 WeakPolarHBondContact O-CB 3.24Å; W70-T74 PolarHBondContact O-N 3.07Å; W70-T74 PolarHBondContact O-OG1 2.96Å
71	L	57.1	Low	52.7	Low	91 Å²	91	123.5 Å²	123.5	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-61.5	-46.4	172.7	-84.1	160.1	0	0	0	111.6	D67 D68 T74 Q75	D67-L71 WeakPolarHBondContact O-CB 3.34Å; D67-L71 PolarHBondContact O-N 3.24Å; D68-L71 PolarHBondContact O-N 3.04Å; L71-T74 PolarHBondContact O-N 2.94Å; L71-Q75 WeakPolarHBondContact O-CG 3.44Å; L71-Q75 PolarHBondContact O-N 3.25Å
72	E	65	Low	54	Low	87 Å²	87	117.2 Å²	117.2	41%	0.407	59%	0.587	S	S	.	*	H	α-helix	trans	-62.7	-46.8	177.2	-157.3	-147.8	145.4	0	0	111.8	D68 T74 Q75 R76	D68-E72 PolarHBondContact O-N 3.01Å; E72-T74 VanDerWaalsContact C-N 3.27Å; E72-T74 PolarHBondContact O-N 3.38Å; E72-Q75 PolarHBondContact O-N 3.49Å; E72-R76 WeakPolarHBondContact O-CG 3.39Å; E72-R76 PolarHBondContact O-N 3.05Å; E72-R76 IonicContact OE1-CZ 3.53Å; E72-R76 IonicContact OE1-NE 3.75Å; E72-R76 PolarHBondContact OE1-NE 3.36Å; E72-R76 IonicContact OE1-NH2 2.69Å; E72-R76 PolarHBondContact OE1-NH2 3.4Å
73	K	59.1	Low	54.8	Low	132 Å²	132	114.2 Å²	114.2	57%	0.574	57%	0.568	S	S	*	*	H	α-helix	trans	-58.7	-38.7	175.5	-77.2	174.9	179.2	177.7	0	112.1	L69 W70 K77	L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 2.99Å; W70-K73 PolarHBondContact O-N 3.31Å; K73-K77 PolarHBondContact O-N 3Å
74	T	60.8	Low	55.4	Low	56 Å²	56	114.3 Å²	114.3	34%	0.344	56%	0.558	S	S	.	*	H	α-helix	trans	-71.4	-40.7	179	-62.2	0	0	0	0	111.9	W70 L71 E72 K77 K78	W70-T74 HydrophobicContact CZ3-CG2 4.35Å; W70-T74 VanDerWaalsContact O-CB 3.26Å; W70-T74 WeakPolarHBondContact O-CB 3.24Å; W70-T74 PolarHBondContact O-N 3.07Å; W70-T74 PolarHBondContact O-OG1 2.96Å; L71-T74 PolarHBondContact O-N 2.94Å; E72-T74 VanDerWaalsContact C-N 3.27Å; E72-T74 PolarHBondContact O-N 3.38Å; T74-K77 PolarHBondContact O-N 2.98Å; T74-K78 PolarHBondContact O-N 3.45Å
75	Q	52.8	Low	56.1	Low	124 Å²	124	113 Å²	113	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-64.8	-42.3	173.1	-71.6	-171.6	13.9	0	0	112	L71 E72 K77 K78 L79	L71-Q75 WeakPolarHBondContact O-CG 3.44Å; L71-Q75 PolarHBondContact O-N 3.25Å; E72-Q75 PolarHBondContact O-N 3.49Å; Q75-K77 PolarHBondContact O-N 3.1Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 3.26Å; Q75-K78 VanDerWaalsContact O-N 3.1Å; Q75-L79 PolarHBondContact O-N 2.77Å
76	R	57.8	Low	56.2	Low	156 Å²	156	115.4 Å²	115.4	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-57.5	-46.1	172.9	-74	-172	-173.1	-149.6	6.4	112	E72 K78 L79 Q80	E72-R76 WeakPolarHBondContact O-CG 3.39Å; E72-R76 PolarHBondContact O-N 3.05Å; E72-R76 IonicContact OE1-CZ 3.53Å; E72-R76 IonicContact OE1-NE 3.75Å; E72-R76 PolarHBondContact OE1-NE 3.36Å; E72-R76 IonicContact OE1-NH2 2.69Å; E72-R76 PolarHBondContact OE1-NH2 3.4Å; R76-K78 VanDerWaalsContact C-N 3.3Å; R76-K78 PolarHBondContact O-N 3.07Å; R76-L79 PolarHBondContact O-N 2.95Å; R76-Q80 WeakPolarHBondContact O-CB 3.49Å; R76-Q80 WeakPolarHBondContact O-CG 3.43Å; R76-Q80 PolarHBondContact O-N 3.36Å
77	K	63.7	Low	56.5	Low	150 Å²	150	118.1 Å²	118.1	65%	0.652	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-34.4	174.7	-86.9	-175.5	172.7	179.6	0	112.8	K73 T74 Q75 K81	K73-K77 PolarHBondContact O-N 3Å; T74-K77 PolarHBondContact O-N 2.98Å; Q75-K77 PolarHBondContact O-N 3.1Å; K77-K81 WeakPolarHBondContact O-CG 3.48Å; K77-K81 PolarHBondContact O-N 3.09Å; K77-K81 VanDerWaalsContact O-N 3.09Å
78	K	64.3	Low	56.4	Low	157 Å²	157	122.2 Å²	122.2	68%	0.683	56%	0.559	S	S	*	*	H	α-helix	trans	-67	-48.8	175.8	-130.7	178.1	-176.2	-178.3	0	111.6	T74 Q75 R76 Q80 K81 Q82	T74-K78 PolarHBondContact O-N 3.45Å; Q75-K78 WeakPolarHBondContact O-CB 3.48Å; Q75-K78 PolarHBondContact O-N 3.26Å; Q75-K78 VanDerWaalsContact O-N 3.1Å; R76-K78 VanDerWaalsContact C-N 3.3Å; R76-K78 PolarHBondContact O-N 3.07Å; K78-Q80 PolarHBondContact O-N 2.93Å; K78-K81 PolarHBondContact O-N 3.22Å; K78-Q82 PolarHBondContact O-N 2.69Å
79	L	60	Low	56.4	Low	115 Å²	115	124.3 Å²	124.3	60%	0.602	57%	0.57	S	S	*	*	H	α-helix	trans	-62	-41.7	176.7	-73.4	164.6	0	0	0	112.2	Q75 R76 Q82 A83	Q75-L79 PolarHBondContact O-N 2.77Å; R76-L79 PolarHBondContact O-N 2.95Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-A83 PolarHBondContact O-N 3.33Å
80	Q	66.8	Low	55.7	Low	140 Å²	140	127.7 Å²	127.7	65%	0.654	58%	0.583	S	S	*	*	H	α-helix	trans	-61.5	-43	174.4	-76.8	177.5	-24.9	0	0	112.4	R76 K78 H84	R76-Q80 WeakPolarHBondContact O-CB 3.49Å; R76-Q80 WeakPolarHBondContact O-CG 3.43Å; R76-Q80 PolarHBondContact O-N 3.36Å; K78-Q80 PolarHBondContact O-N 2.93Å; Q80-H84 WeakPolarHBondContact O-CB 3.48Å; Q80-H84 PolarHBondContact O-N 2.86Å; Q80-H84 VanDerWaalsContact O-N 3.07Å
81	K	64.6	Low	55	Low	161 Å²	161	125.8 Å²	125.8	70%	0.7	58%	0.584	S	S	*	*	H	α-helix	trans	-63	-40.9	174.1	-78.5	-171.1	174.7	-171.1	0	112.1	K77 K78 H84 V85	K77-K81 WeakPolarHBondContact O-CG 3.48Å; K77-K81 PolarHBondContact O-N 3.09Å; K77-K81 VanDerWaalsContact O-N 3.09Å; K78-K81 PolarHBondContact O-N 3.22Å; K81-H84 PolarHBondContact O-N 3.26Å; K81-V85 WeakPolarHBondContact O-CG2 3.44Å; K81-V85 PolarHBondContact O-N 2.91Å
82	Q	52.8	Low	54.1	Low	113 Å²	113	125 Å²	125	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-64.5	-48.2	179.8	-167.5	163.9	-8.6	0	0	111.7	K78 L79 H84 V85 E86	K78-Q82 PolarHBondContact O-N 2.69Å; L79-Q82 PolarHBondContact O-N 3.48Å; Q82-H84 PolarHBondContact O-N 3.28Å; Q82-V85 PolarHBondContact O-N 2.88Å; Q82-E86 PolarHBondContact O-N 3.38Å
83	A	53.3	Low	53	Low	42 Å²	42	124.5 Å²	124.5	35%	0.347	61%	0.608	S	S	.	*	H	α-helix	trans	-61	-29.1	173.5	0	0	0	0	0	113.1	L79 R87	L79-A83 PolarHBondContact O-N 3.33Å; A83-R87 VanDerWaalsContact O-CB 3.24Å; A83-R87 WeakPolarHBondContact O-CB 3.26Å; A83-R87 PolarHBondContact O-N 3.05Å
84	H	49.8	Very low	51.6	Low	125 Å²	125	125.5 Å²	125.5	58%	0.579	63%	0.626	S	S	*	*	H	α-helix	trans	-76.5	-25.2	175.7	-155.7	-37.8	0	0	0	113.1	Q80 K81 Q82 R88	Q80-H84 WeakPolarHBondContact O-CB 3.48Å; Q80-H84 PolarHBondContact O-N 2.86Å; Q80-H84 VanDerWaalsContact O-N 3.07Å; K81-H84 PolarHBondContact O-N 3.26Å; Q82-H84 PolarHBondContact O-N 3.28Å; H84-R88 PolarHBondContact O-N 3.31Å
85	V	56	Low	50.2	Low	87 Å²	87	130.2 Å²	130.2	53%	0.527	64%	0.643	S	S	.	*	H	α-helix	trans	-76.9	-45.9	171.7	170.9	0	0	0	0	110.6	K81 Q82 R87 R88 L89	K81-V85 WeakPolarHBondContact O-CG2 3.44Å; K81-V85 PolarHBondContact O-N 2.91Å; Q82-V85 PolarHBondContact O-N 2.88Å; V85-R87 VanDerWaalsContact C-N 3.29Å; V85-R87 PolarHBondContact O-N 3.08Å; V85-R88 WeakPolarHBondContact O-CA 3.37Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.35Å; V85-L89 HydrophobicContact CG1-CD1 4.27Å; V85-L89 PolarHBondContact O-N 2.96Å
86	E	48.3	Very low	49.2	Very low	103 Å²	103	132.5 Å²	132.5	48%	0.481	65%	0.651	S	S	.	*	H	α-helix	trans	-58.6	-41.4	174.7	-69.3	171.9	160.3	0	0	111.6	Q82 R88 L89 H90	Q82-E86 PolarHBondContact O-N 3.38Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.49Å; E86-L89 PolarHBondContact O-N 3.18Å; E86-H90 PolarHBondContact O-N 2.9Å; E86-H90 PolarHBondContact O-ND1 2.8Å
87	R	48.5	Very low	47.9	Very low	179 Å²	179	132.6 Å²	132.6	68%	0.675	66%	0.664	S	S	*	*	H	α-helix	trans	-67.8	-22.6	175	-162.5	178.8	-59.1	-164.7	0.2	113.5	A83 V85 I91	A83-R87 VanDerWaalsContact O-CB 3.24Å; A83-R87 WeakPolarHBondContact O-CB 3.26Å; A83-R87 PolarHBondContact O-N 3.05Å; V85-R87 VanDerWaalsContact C-N 3.29Å; V85-R87 PolarHBondContact O-N 3.08Å; R87-I91 VanDerWaalsContact O-CD1 3.24Å; R87-I91 WeakPolarHBondContact O-CD1 3.12Å; R87-I91 WeakPolarHBondContact O-CG1 3.16Å
88	R	46	Very low	46.2	Very low	196 Å²	196	128.7 Å²	128.7	74%	0.74	67%	0.666	S	S	*	*	H	α-helix	trans	-78	-40.4	170.4	-93.8	-175	165.8	-172.1	-3.9	112.2	H84 V85 E86 H90 I91	H84-R88 PolarHBondContact O-N 3.31Å; V85-R88 WeakPolarHBondContact O-CA 3.37Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.35Å; E86-R88 VanDerWaalsContact C-N 3.27Å; E86-R88 PolarHBondContact O-N 3.49Å; R88-H90 VanDerWaalsContact C-N 3.29Å; R88-H90 PolarHBondContact O-N 3.16Å; R88-I91 PolarHBondContact O-N 3.11Å; R88-I91 VanDerWaalsContact O-N 3.14Å
89	L	46.2	Very low	44.5	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-60.5	-37.6	177	-78.7	158.4	0	0	0	112.2	V85 E86 I91 G92	V85-L89 HydrophobicContact CG1-CD1 4.27Å; V85-L89 PolarHBondContact O-N 2.96Å; E86-L89 PolarHBondContact O-N 3.18Å; L89-I91 PolarHBondContact O-N 3.41Å; L89-G92 PolarHBondContact O-N 3.44Å
90	H	40.7	Very low	43.2	Very low	161 Å²	161	132.8 Å²	132.8	75%	0.745	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-4.2	177.6	-72	81.7	0	0	0	115.2	E86 R88	E86-H90 PolarHBondContact O-N 2.9Å; E86-H90 PolarHBondContact O-ND1 2.8Å; R88-H90 VanDerWaalsContact C-N 3.29Å; R88-H90 PolarHBondContact O-N 3.16Å
91	I	42	Very low	41.2	Very low	132 Å²	132	132 Å²	132	68%	0.677	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-3.4	176.6	-67.8	170.3	0	0	0	111.4	R87 R88 L89 A93	R87-I91 VanDerWaalsContact O-CD1 3.24Å; R87-I91 WeakPolarHBondContact O-CD1 3.12Å; R87-I91 WeakPolarHBondContact O-CG1 3.16Å; R88-I91 PolarHBondContact O-N 3.11Å; R88-I91 VanDerWaalsContact O-N 3.14Å; L89-I91 PolarHBondContact O-N 3.41Å; I91-A93 PolarHBondContact O-N 3.32Å
92	G	37.8	Very low	39.3	Very low	74 Å²	74	135.9 Å²	135.9	76%	0.763	71%	0.71	S	S	*	*	S	Bend	trans	-76.6	9.8	-179.7	0	0	0	0	0	116.6	L89	L89-G92 PolarHBondContact O-N 3.44Å
93	A	42.4	Very low	38	Very low	77 Å²	77	142.4 Å²	142.4	64%	0.636	73%	0.73	S	S	*	*	S	Bend	trans	-142.4	153.3	-176.5	0	0	0	0	0	112.9	I91	I91-A93 PolarHBondContact O-N 3.32Å
94	V	30.2	Very low	36.9	Very low	154 Å²	154	149.8 Å²	149.8	93%	0.933	76%	0.755	S	S	*	*			trans	79.7	146	-174	-170.9	0	0	0	0	114.1
95	H	30.6	Very low	35.7	Very low	155 Å²	155	150.1 Å²	150.1	72%	0.718	77%	0.765	S	S	*	*			trans	-146.5	140.7	-153.5	-167.6	-57.3	0	0	0	109.9
96	K	32.6	Very low	34.4	Very low	171 Å²	171	152.8 Å²	152.8	74%	0.743	78%	0.775	S	S	*	*			trans	49.6	118.3	170.5	-86.6	176	177.9	-177.9	0	118
97	D	29.3	Very low	33.3	Very low	159 Å²	159	154.9 Å²	154.9	85%	0.85	79%	0.788	S	S	*	*				-168.9	-176.2	78.6	-105.7	-22.1	0	0	0	110.7
98	G	28.5	Very low	32.2	Very low	68 Å²	68	153 Å²	153	70%	0.701	80%	0.797	S	S	*	*			trans	-113.7	-149	-166	0	0	0	0	0	117.3
99	V	28.8	Very low	31	Very low	157 Å²	157	149 Å²	149	95%	0.952	80%	0.799	S	S	*	*			trans	89.6	148.8	-177.9	-170.8	0	0	0	0	115.6
100	K	31.3	Very low	30.9	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	80%	0.795	S	S	*	*			trans	-91	148.9	-165.1	-53.2	160.7	179	173	0	112.6
101	C	26.1	Very low	30.1	Very low	123 Å²	123	148 Å²	148	83%	0.831	80%	0.799	S	S	*	*			trans	-157.8	157.9	135.3	-147.1	0	0	0	0	113.1
102	W	24.7	Very low	29.3	Very low	242 Å²	242	146.1 Å²	146.1	92%	0.917	80%	0.798	S	S	*	*			trans	-111.5	143	168.7	-83.9	29.4	0	0	0	109.6
103	R	26	Very low	28.6	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	80%	0.797	S	S	*	*			trans	-171.7	158.8	143.2	-106.6	161.9	-145.3	-111.2	3.9	112.7
104	K	29	Very low	27.8	Very low	198 Å²	198	152.6 Å²	152.6	86%	0.861	80%	0.804	S	S	*	*			trans	-112.6	136.9	172.6	-66.9	173.2	173.6	178.6	0	109.9
105	T	25.1	Very low	27.5	Very low	131 Å²	131	152.8 Å²	152.8	80%	0.804	80%	0.798	S	S	*	*			trans	-176.2	126.8	145.8	24.9	0	0	0	0	106.5
106	I	27.5	Very low	27.4	Very low	144 Å²	144	151.6 Å²	151.6	74%	0.738	80%	0.804	S	S	*	*				87.2	106.6	60	-70.7	176.1	0	0	0	113.5
107	I	26.2	Very low	27	Very low	146 Å²	146	154.8 Å²	154.8	75%	0.749	81%	0.812	S	S	*	*			trans	51.6	116.7	147.9	-54.4	170.3	0	0	0	119.2
108	T	24.8	Very low	26.7	Very low	141 Å²	141	158.8 Å²	158.8	87%	0.865	82%	0.815	S	S	*	*				-172.5	160.7	116.1	19.3	0	0	0	0	112.4
109	S	21.7	Very low	26.5	Very low	110 Å²	110	160.5 Å²	160.5	77%	0.769	82%	0.816	S	S	*	*			trans	-134.1	171	168	-150.9	0	0	0	0	105.3
110	P	42.8	Very low	26.4	Very low	95 Å²	95	161.8 Å²	161.8	62%	0.617	81%	0.812	S	S	*	*			cis	-143.4	-162	14	44.3	-23.7	0	0	0	115.4
111	E	25.4	Very low	26.6	Very low	180 Å²	180	157.4 Å²	157.4	84%	0.841	80%	0.803	S	S	*	*			trans	68.5	154.2	155.6	-70.9	175.8	169.7	0	0	119.6
112	S	23.8	Very low	26.6	Very low	92 Å²	92	159.4 Å²	159.4	64%	0.643	81%	0.805	S	S	*	*			cis	-166.3	-178.8	-29.9	57.2	0	0	0	0	110.8
113	L	24.1	Very low	26.6	Very low	145 Å²	145	153.6 Å²	153.6	76%	0.759	80%	0.802	S	S	*	*			trans	99.2	137.1	158.2	-65	172.2	0	0	0	122.6
114	N	25.6	Very low	26.7	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	80%	0.797	S	S	*	*			trans	78.7	105.1	146.3	-64.3	-20	0	0	0	123.1
115	L	24	Very low	26.7	Very low	158 Å²	158	146.6 Å²	146.6	83%	0.827	80%	0.795	S	S	*	*			trans	-60.8	166.1	147.9	-73.3	154.7	0	0	0	112.3
116	P	28.3	Very low	26.8	Very low	130 Å²	130	144.6 Å²	144.6	84%	0.844	79%	0.792	S	S	*	*				-125.2	172.1	115.6	36.3	-32.7	0	0	0	114
117	R	24.5	Very low	27.9	Very low	238 Å²	238	143 Å²	143	90%	0.898	79%	0.791	S	S	*	*			trans	-141.2	122.5	-163.4	-178.9	-168	-172.1	-147.6	6.2	113
118	R	23.4	Very low	28	Very low	242 Å²	242	142.5 Å²	142.5	91%	0.913	80%	0.795	S	S	*	*			trans	-169.9	153.8	166.8	-100.2	-176.7	179	175.5	-1.4	108.6
119	S	22.8	Very low	28.1	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	79%	0.786	S	S	*	*			cis	-167.2	153.7	-26.5	38.9	0	0	0	0	109.8
120	H	26.8	Very low	28.3	Very low	184 Å²	184	140.9 Å²	140.9	85%	0.852	79%	0.787	S	S	*	*			trans	-60.6	168.4	173.4	-75.5	-50.7	0	0	0	113.6
121	P	35.8	Very low	27.7	Very low	108 Å²	108	141.8 Å²	141.8	70%	0.701	79%	0.787	S	S	*	*			cis	-155.5	173	40.5	44.8	-22.7	0	0	0	122.3
122	L	25.8	Very low	27.9	Very low	165 Å²	165	141.5 Å²	141.5	86%	0.864	79%	0.785	S	S	*	*			trans	37.6	132.5	141.3	-64.6	165.3	0	0	0	123
123	S	25.6	Very low	28.1	Very low	121 Å²	121	146.4 Å²	146.4	85%	0.846	80%	0.8	S	S	*	*				-168.9	175.9	108.7	-153.5	0	0	0	0	114.2
124	Q	28.2	Very low	28.1	Very low	183 Å²	183	143 Å²	143	86%	0.855	80%	0.801	S	S	*	*			trans	-92.1	-177.2	-172.9	-56.2	170	1.1	0	0	111.3
125	S	28.3	Very low	28.1	Very low	117 Å²	117	147.7 Å²	147.7	82%	0.818	81%	0.808	S	S	*	*			cis	-160.1	-174.9	22.8	56.7	0	0	0	0	113.3
126	A	27.4	Very low	28.5	Very low	89 Å²	89	146 Å²	146	74%	0.736	81%	0.806	S	S	*	*			trans	-123.2	-159.9	177.7	0	0	0	0	0	110.8
127	P	50.2	Low	28.2	Very low	111 Å²	111	148.3 Å²	148.3	72%	0.721	81%	0.806	S	S	*	*			cis	-140.1	-163.6	-10.5	36.6	-13.1	0	0	0	115.5
128	T	28.6	Very low	28.2	Very low	135 Å²	135	145.7 Å²	145.7	83%	0.828	80%	0.804	S	S	*	*			trans	80.7	144.8	158.8	-38.9	0	0	0	0	118.3
129	G	26.6	Very low	28.3	Very low	65 Å²	65	141 Å²	141	67%	0.67	80%	0.802	S	S	*	*			cis	164.3	154	-14.3	0	0	0	0	0	115.6
130	L	27.4	Very low	29	Very low	152 Å²	152	142.1 Å²	142.1	80%	0.796	81%	0.806	S	S	*	*			trans	69.8	112.2	158	-60.4	168.4	0	0	0	123.4
131	N	30.5	Very low	28.9	Very low	115 Å²	115	136.7 Å²	136.7	62%	0.615	80%	0.8	S	S	*	*				88.5	125.9	119.2	-70.1	14.9	0	0	0	126.9
132	H	28.8	Very low	28.4	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.806	81%	0.809	S	S	*	*			trans	90.6	161.8	138	-61.1	-28.9	0	0	0	123.1
133	M	28	Very low	28.3	Very low	194 Å²	194	135.1 Å²	135.1	96%	0.956	81%	0.806	S	S	*	*			trans	-94.1	161.2	-157.9	-62	-81.5	-150.9	0	0	115.1
134	G	24.3	Very low	28.5	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	81%	0.806	S	S	*	*			trans	-179.1	135.2	159.5	0	0	0	0	0	114.7
135	W	24.7	Very low	29.5	Very low	240 Å²	240	133.9 Å²	133.9	91%	0.909	80%	0.798	S	S	*	*			trans	-101.5	167.9	168.9	-86.2	62.7	0	0	0	110.7
136	P	32	Very low	29.5	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	80%	0.799	S	S	*	*				-140.3	172.3	127.7	35.8	-21.2	0	0	0	115.1
137	E	23.2	Very low	29.5	Very low	179 Å²	179	135 Å²	135	84%	0.836	80%	0.798	S	S	*	*			trans	-112.1	-174.2	-169.8	-63.9	178.7	103	0	0	115.1
138	H	24.9	Very low	28.4	Very low	183 Å²	183	134.4 Å²	134.4	85%	0.847	80%	0.803	S	S	*	*			trans	-78.4	167.9	-176.4	-73.4	-99.3	0	0	0	116.3
139	T	24	Very low	28.4	Very low	143 Å²	143	135.4 Å²	135.4	88%	0.877	80%	0.803	S	S	*	*			trans	-161.8	165.4	147.3	11.5	0	0	0	0	110
140	P	38	Very low	28.5	Very low	128 Å²	128	138.3 Å²	138.3	83%	0.831	80%	0.803	S	S	*	*			trans	-122	-175.4	-138.5	43.7	-33.2	0	0	0	118.3
141	G	25.5	Very low	28.6	Very low	70 Å²	70	137 Å²	137	72%	0.722	80%	0.802	S	S	*	*			trans	-95.6	-158	-166.8	0	0	0	0	0	118.7
142	T	24.1	Very low	28.4	Very low	145 Å²	145	135.4 Å²	135.4	89%	0.89	80%	0.804	S	S	*	*			trans	-161	127.5	-176.1	-73.9	0	0	0	0	114.8
143	A	23.9	Very low	28.3	Very low	95 Å²	95	134 Å²	134	79%	0.785	81%	0.807	S	S	*	*			trans	51.3	146.6	148.1	0	0	0	0	0	125.8
144	M	29.4	Very low	28.3	Very low	172 Å²	172	130.7 Å²	130.7	85%	0.847	80%	0.802	S	S	*	*			trans	-102.3	174.3	166	-65.2	-76.1	-68.9	0	0	110.9
145	P	48.9	Very low	28.4	Very low	107 Å²	107	131.6 Å²	131.6	70%	0.695	80%	0.802	S	S	*	*				-146.1	-173.3	88.2	35.9	-16.1	0	0	0	112.5
146	D	29.1	Very low	28.7	Very low	159 Å²	159	127.8 Å²	127.8	85%	0.85	80%	0.8	S	S	*	*			cis	-160.5	177.8	-17.5	-111.3	-38.7	0	0	0	106.8
147	G	26.9	Very low	28.8	Very low	69 Å²	69	131 Å²	131	71%	0.711	80%	0.804	S	S	*	*			cis	143.5	102.6	-1.6	0	0	0	0	0	112.7
148	A	27.2	Very low	29.4	Very low	100 Å²	100	129.6 Å²	129.6	83%	0.826	81%	0.807	S	S	*	*			trans	-158.6	150.6	174.8	0	0	0	0	0	113.7
149	L	28.8	Very low	29.5	Very low	155 Å²	155	124.2 Å²	124.2	81%	0.812	80%	0.801	S	S	*	*			trans	-96	175.7	-176.6	-86.4	74.6	0	0	0	111.7
150	D	28.9	Very low	30	Very low	127 Å²	127	122.3 Å²	122.3	68%	0.679	79%	0.794	S	S	*	*			cis	-162.6	144.3	39.3	-120.8	-48.5	0	0	0	115
151	T	28.6	Very low	29.7	Very low	125 Å²	125	125.2 Å²	125.2	77%	0.767	80%	0.796	S	S	*	*				47.9	131.2	128.5	-62.2	0	0	0	0	120.2
152	A	26.3	Very low	30.2	Very low	81 Å²	81	130.3 Å²	130.3	67%	0.669	80%	0.801	S	S	*	*			cis	-161.8	-177.4	42.6	0	0	0	0	0	116.5
153	V	28.6	Very low	30.5	Very low	144 Å²	144	130.8 Å²	130.8	87%	0.873	80%	0.799	S	S	*	*			trans	88.1	129.9	169.8	-169.3	0	0	0	0	115.5
154	C	26.6	Very low	31.2	Very low	125 Å²	125	134.1 Å²	134.1	85%	0.845	80%	0.802	S	S	*	*			trans	-93.1	163.9	-163.2	-51.8	0	0	0	0	114.4
155	A	26.3	Very low	31.6	Very low	94 Å²	94	137 Å²	137	78%	0.777	81%	0.805	S	S	*	*			trans	-129.6	148.9	165.3	0	0	0	0	0	110.4
156	D	32.3	Very low	30.8	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	81%	0.808	S	S	*	*			trans	-139.4	147.4	164	-78.8	-50.1	0	0	0	104.9
157	E	32.5	Very low	30.9	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	81%	0.807	S	S	*	*			cis	-125.1	-179.8	6.2	-70.1	-169.5	117.6	0	0	112.5
158	V	36.5	Very low	31.3	Very low	150 Å²	150	142.4 Å²	142.4	91%	0.909	81%	0.811	S	S	*	*			trans	-74	139.2	175.4	171.9	0	0	0	0	112.4
159	G	26.9	Very low	31.8	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	81%	0.812	S	S	*	*			trans	-138.2	137	163.2	0	0	0	0	0	110.4
160	S	34.7	Very low	31.8	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	81%	0.808	S	S	*	*			trans	-83	137.6	-171	-158.3	0	0	0	0	112.7	E162	S160-E162 VanDerWaalsContact C-N 3.3Å; S160-E162 PolarHBondContact O-N 3.42Å; S160-E162 VanDerWaalsContact O-N 3.15Å
161	E	30.7	Very low	31.7	Very low	189 Å²	189	142.1 Å²	142.1	88%	0.883	81%	0.806	S	S	*	*	S	Bend	trans	-87.6	41.3	-175.2	62.2	-176	137.9	0	0	114.7
162	E	36.9	Very low	31.8	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	81%	0.808	S	S	*	*			trans	-125.2	34.1	-178.4	-70.8	-166.4	-125.7	0	0	114.2	S160	S160-E162 VanDerWaalsContact C-N 3.3Å; S160-E162 PolarHBondContact O-N 3.42Å; S160-E162 VanDerWaalsContact O-N 3.15Å
163	D	31.3	Very low	32.1	Very low	156 Å²	156	145.2 Å²	145.2	83%	0.834	81%	0.81	S	S	*	*			trans	-133.4	22.7	177.6	-95.1	-45.4	0	0	0	114.1
164	L	37.4	Very low	32.2	Very low	165 Å²	165	146.7 Å²	146.7	86%	0.864	81%	0.807	S	S	*	*			trans	-109.4	49.5	-176.8	-83.1	169.7	0	0	0	114.3
165	Y	37.8	Very low	32.2	Very low	232 Å²	232	151.1 Å²	151.1	91%	0.91	81%	0.808	S	S	*	*	S	Bend	trans	-147.6	11	170.9	-139.1	-96	0	0	0	117.7
166	D	33.1	Very low	32.4	Very low	139 Å²	139	152.2 Å²	152.2	74%	0.743	81%	0.81	S	S	*	*	S	Bend	trans	-108.2	-5.7	179.5	-124.9	-16.1	0	0	0	114.3	L168	D166-L168 VanDerWaalsContact C-N 3.3Å; D166-L168 PolarHBondContact O-N 3.03Å
167	D	29.9	Very low	32.5	Very low	156 Å²	156	152.4 Å²	152.4	83%	0.834	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	24.8	-167.1	-143.2	23.7	0	0	0	114.7
168	L	35.1	Very low	32.4	Very low	154 Å²	154	150 Å²	150	81%	0.806	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-1	179.7	-142.9	80.1	0	0	0	114.7	D166	D166-L168 VanDerWaalsContact C-N 3.3Å; D166-L168 PolarHBondContact O-N 3.03Å
169	H	38.3	Very low	32.1	Very low	179 Å²	179	146.4 Å²	146.4	83%	0.829	80%	0.799	S	S	*	*	S	Bend	trans	-125.1	7.6	-178.4	-73.8	-9	0	0	0	114.2
170	S	28.3	Very low	32.4	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	78%	0.783	S	S	*	*	S	Bend	trans	-102.5	18.4	-179.1	-61.8	0	0	0	0	114.3
171	S	28.3	Very low	32.5	Very low	92 Å²	92	141.5 Å²	141.5	64%	0.643	77%	0.765	S	S	*	*			trans	-147.7	114.8	167.6	-173.2	0	0	0	0	111.1	H173	S171-H173 PolarHBondContact OG-O 3.49Å
172	S	30.5	Very low	33.2	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	75%	0.754	S	S	*	*			trans	-131.4	25.3	172.4	-170.8	0	0	0	0	112
173	H	31.3	Very low	33.8	Very low	157 Å²	157	135.2 Å²	135.2	73%	0.727	75%	0.753	S	S	*	*	S	Bend	trans	-132	145.8	166.7	-64.7	-79.2	0	0	0	108.1	S171	S171-H173 PolarHBondContact OG-O 3.49Å
174	H	30.3	Very low	35.1	Very low	175 Å²	175	129.4 Å²	129.4	81%	0.81	72%	0.721	S	S	*	*			trans	67.3	105.2	-166.5	-41.1	-72.9	0	0	0	115
175	Y	27.2	Very low	35.9	Very low	217 Å²	217	126.4 Å²	126.4	85%	0.851	71%	0.705	S	S	*	*				-159.5	128.8	121.5	-99.6	-64.7	0	0	0	109.8
176	S	30.5	Very low	37	Very low	118 Å²	118	117.4 Å²	117.4	83%	0.825	68%	0.679	S	S	*	*			trans	-85.6	135.9	-179.1	-49.3	0	0	0	0	111.1
177	H	35.3	Very low	38.8	Very low	164 Å²	164	111.9 Å²	111.9	76%	0.759	65%	0.649	S	S	*	*			trans	-121	129.7	176.9	-73	-49.5	0	0	0	112.7	G179	H177-G179 VanDerWaalsContact C-N 3.31Å; H177-G179 PolarHBondContact O-N 3.41Å; H177-G179 VanDerWaalsContact O-N 3.09Å
178	P	29.1	Very low	40.7	Very low	140 Å²	140	106 Å²	106	91%	0.909	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	37.6	-162.7	38.2	-39.6	0	0	0	114.2
179	G	31.2	Very low	42.4	Very low	74 Å²	74	104.1 Å²	104.1	76%	0.763	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-18.1	-167.1	0	0	0	0	0	117.3	H177	H177-G179 VanDerWaalsContact C-N 3.31Å; H177-G179 PolarHBondContact O-N 3.41Å; H177-G179 VanDerWaalsContact O-N 3.09Å
180	G	33.3	Very low	43.9	Very low	37 Å²	37	99.4 Å²	99.4	38%	0.381	59%	0.585	S	S	.	*			trans	-112.7	11.8	-166.2	0	0	0	0	0	116.4	G182	G180-G182 PolarHBondContact O-N 3.28Å; G180-G182 VanDerWaalsContact O-N 3.1Å
181	G	36.4	Very low	46.3	Very low	32 Å²	32	96.2 Å²	96.2	33%	0.33	56%	0.559	S	S	.	*	H	α-helix	trans	-63.1	-21.9	-156	0	0	0	0	0	118.2	E183 Q184 L185	G181-E183 PolarHBondContact O-N 2.96Å; G181-Q184 PolarHBondContact O-N 3.09Å; G181-L185 VanDerWaalsContact O-CB 3.23Å; G181-L185 WeakPolarHBondContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CG 3.3Å; G181-L185 PolarHBondContact O-N 2.83Å
182	G	45.9	Very low	48.4	Very low	65 Å²	65	96.6 Å²	96.6	67%	0.67	56%	0.562	S	S	*	*	H	α-helix	trans	-53.1	-58	-165.8	0	0	0	0	0	115.6	G180	G180-G182 PolarHBondContact O-N 3.28Å; G180-G182 VanDerWaalsContact O-N 3.1Å
183	E	49.7	Very low	50.5	Low	169 Å²	169	97.6 Å²	97.6	79%	0.79	56%	0.558	S	S	*	*	H	α-helix	trans	-78.1	-31.8	179.6	-63.3	174.7	158.1	0	0	111.8	G181 A186 I187	G181-E183 PolarHBondContact O-N 2.96Å; E183-A186 PolarHBondContact O-N 2.98Å; E183-I187 WeakPolarHBondContact O-CD1 3.48Å; E183-I187 WeakPolarHBondContact O-CG1 3.44Å; E183-I187 PolarHBondContact O-N 3.46Å
184	Q	57.5	Low	52.2	Low	33 Å²	33	93.2 Å²	93.2	15%	0.154	56%	0.555	C	S	.	*	H	α-helix	trans	-79.2	-29.5	-173.9	-168.1	149.6	23.8	0	0	113.3	G181 N188 A226 N228	G181-Q184 PolarHBondContact O-N 3.09Å; Q184-N188 PolarHBondContact O-N 3.49Å; Q184-N188 PolarHBondContact O-ND2 2.86Å; Q184-A226 WeakPolarHBondContact CG-O 3.26Å; Q184-A226 PolarHBondContact NE2-O 3.19Å; Q184-N228 PolarHBondContact NE2-O 3.17Å
185	L	55.3	Low	54.5	Low	103 Å²	103	87.3 Å²	87.3	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-47.9	168.1	-71.2	167.6	0	0	0	109.7	G181 I187 N188 E189	G181-L185 VanDerWaalsContact O-CB 3.23Å; G181-L185 WeakPolarHBondContact O-CB 3.32Å; G181-L185 WeakPolarHBondContact O-CG 3.3Å; G181-L185 PolarHBondContact O-N 2.83Å; L185-I187 VanDerWaalsContact C-N 3.29Å; L185-I187 PolarHBondContact O-N 3.05Å; L185-N188 CarbonylContact O-C 3.6Å; L185-N188 PolarHBondContact O-N 3.4Å; L185-E189 WeakPolarHBondContact O-CB 3.36Å; L185-E189 VanDerWaalsContact O-CG 3.29Å; L185-E189 WeakPolarHBondContact O-CG 3.35Å; L185-E189 PolarHBondContact O-N 2.94Å
186	A	61.3	Low	57	Low	43 Å²	43	81.1 Å²	81.1	36%	0.355	52%	0.518	S	S	.	.	H	α-helix	trans	-57.5	-38.2	178.8	0	0	0	0	0	113.3	E183 L190	E183-A186 PolarHBondContact O-N 2.98Å; A186-L190 VanDerWaalsContact O-CG 3.3Å; A186-L190 WeakPolarHBondContact O-CG 3.14Å; A186-L190 PolarHBondContact O-N 3.39Å; A186-L190 VanDerWaalsContact O-N 3.1Å
187	I	70.1	Confident	59.7	Low	22 Å²	22	75.7 Å²	75.7	11%	0.113	48%	0.48	C	S	.	.	H	α-helix	trans	-66.3	-46.6	174.8	-62.1	156.2	0	0	0	111	E183 L185 L190 I191 V197 A226 W232 L250	E183-I187 WeakPolarHBondContact O-CD1 3.48Å; E183-I187 WeakPolarHBondContact O-CG1 3.44Å; E183-I187 PolarHBondContact O-N 3.46Å; L185-I187 VanDerWaalsContact C-N 3.29Å; L185-I187 PolarHBondContact O-N 3.05Å; I187-L190 PolarHBondContact O-N 3.04Å; I187-I191 HydrophobicContact CG2-CD1 3.99Å; I187-I191 WeakPolarHBondContact O-CG1 3.25Å; I187-I191 PolarHBondContact O-N 3.4Å; I187-I191 VanDerWaalsContact O-N 3.07Å; I187-V197 HydrophobicContact CG2-CG1 4.44Å; I187-A226 HydrophobicContact CB-CB 4.37Å; I187-A226 HydrophobicContact CG2-CB 3.52Å; I187-W232 HydrophobicContact CD1-CH2 4.24Å; I187-W232 HydrophobicContact CD1-CZ2 4.24Å; I187-L250 HydrophobicContact CD1-CD1 3.43Å; I187-L250 VanDerWaalsContact CD1-CD1 3.43Å; I187-L250 HydrophobicContact CG1-CD1 3.79Å
188	N	70.1	Confident	62.2	Low	32 Å²	32	69.2 Å²	69.2	17%	0.171	45%	0.453	C	S	.	.	H	α-helix	trans	-73	-26.9	-179.4	-70.5	-64.4	0	0	0	112.9	Q184 L185 S192 A226 T227	Q184-N188 PolarHBondContact O-N 3.49Å; Q184-N188 PolarHBondContact O-ND2 2.86Å; L185-N188 CarbonylContact O-C 3.6Å; L185-N188 PolarHBondContact O-N 3.4Å; N188-S192 WeakPolarHBondContact O-CB 3.19Å; N188-S192 PolarHBondContact O-N 3.34Å; N188-S192 PolarHBondContact O-OG 2.98Å; N188-A226 VanDerWaalsContact ND2-C 3.3Å; N188-A226 PolarHBondContact ND2-O 3.47Å; N188-A226 WeakPolarHBondContact OD1-CA 3.28Å; N188-A226 PolarHBondContact OD1-N 3.1Å; N188-T227 PolarHBondContact OD1-N 3.38Å
189	E	71.1	Confident	65.1	Low	115 Å²	115	62.5 Å²	62.5	54%	0.537	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-49.8	170.2	-76.1	168.6	177.6	0	0	110	L185 I191 S192 D193	L185-E189 WeakPolarHBondContact O-CB 3.36Å; L185-E189 VanDerWaalsContact O-CG 3.29Å; L185-E189 WeakPolarHBondContact O-CG 3.35Å; L185-E189 PolarHBondContact O-N 2.94Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.74Å; E189-S192 PolarHBondContact O-N 2.67Å; E189-S192 VanDerWaalsContact O-N 3.08Å; E189-D193 WeakPolarHBondContact O-CB 3.47Å; E189-D193 PolarHBondContact O-N 2.98Å
190	L	69.7	Low	67.7	Low	81 Å²	81	60.6 Å²	60.6	42%	0.424	38%	0.381	S	S	.	.	H	α-helix	trans	-57.2	-43.8	174.7	-72.6	167.8	0	0	0	112.8	A186 I187 G194 S195 V197	A186-L190 VanDerWaalsContact O-CG 3.3Å; A186-L190 WeakPolarHBondContact O-CG 3.14Å; A186-L190 PolarHBondContact O-N 3.39Å; A186-L190 VanDerWaalsContact O-N 3.1Å; I187-L190 PolarHBondContact O-N 3.04Å; L190-G194 PolarHBondContact O-N 3.15Å; L190-S195 WeakPolarHBondContact O-CB 3.36Å; L190-S195 PolarHBondContact O-N 3.39Å; L190-S195 PolarHBondContact O-OG 2.92Å; L190-V197 HydrophobicContact CB-CG2 3.95Å
191	I	78.3	Confident	70.2	Confident	37 Å²	37	58.9 Å²	58.9	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-42	175.1	-67.2	168.7	0	0	0	110.9	I187 E189 G194 V197 V223 M224 A226	I187-I191 HydrophobicContact CG2-CD1 3.99Å; I187-I191 WeakPolarHBondContact O-CG1 3.25Å; I187-I191 PolarHBondContact O-N 3.4Å; I187-I191 VanDerWaalsContact O-N 3.07Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 2.74Å; I191-G194 PolarHBondContact O-N 3.34Å; I191-V197 HydrophobicContact CG1-CB 4.25Å; I191-V197 HydrophobicContact CG1-CG2 3.79Å; I191-V223 HydrophobicContact CD1-CG1 4.22Å; I191-M224 WeakPolarHBondContact CG2-O 3.43Å; I191-A226 HydrophobicContact CD1-CB 4.1Å
192	S	72.8	Confident	72	Confident	101 Å²	101	57.9 Å²	57.9	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-69.1	-32.4	-179.7	-61.8	0	0	0	0	113.2	N188 E189 G194	N188-S192 WeakPolarHBondContact O-CB 3.19Å; N188-S192 PolarHBondContact O-N 3.34Å; N188-S192 PolarHBondContact O-OG 2.98Å; E189-S192 PolarHBondContact O-N 2.67Å; E189-S192 VanDerWaalsContact O-N 3.08Å; S192-G194 PolarHBondContact O-N 3.19Å
193	D	73.7	Confident	73.1	Confident	135 Å²	135	55.6 Å²	55.6	72%	0.722	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.9	171.8	-75	-16.3	0	0	0	112.5	E189	E189-D193 WeakPolarHBondContact O-CB 3.47Å; E189-D193 PolarHBondContact O-N 2.98Å
194	G	67.6	Low	74.4	Confident	64 Å²	64	49.8 Å²	49.8	66%	0.66	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	17.7	179	0	0	0	0	0	114.5	L190 I191 S192	L190-G194 PolarHBondContact O-N 3.15Å; I191-G194 PolarHBondContact O-N 3.34Å; S192-G194 PolarHBondContact O-N 3.19Å
195	S	77.4	Confident	75.2	Confident	52 Å²	52	49.1 Å²	49.1	36%	0.364	29%	0.293	S	S	.	.			trans	-79.8	137	176.3	-51.9	0	0	0	0	110.7	L190 V197	L190-S195 WeakPolarHBondContact O-CB 3.36Å; L190-S195 PolarHBondContact O-N 3.39Å; L190-S195 PolarHBondContact O-OG 2.92Å; S195-V197 PolarHBondContact O-N 3.38Å
196	V	81.4	Confident	76.1	Confident	86 Å²	86	49.2 Å²	49.2	52%	0.521	30%	0.297	S	S	.	.			trans	-75.2	114.5	176.9	-178.2	0	0	0	0	109.4	E222	V196-E222 HydrophobicContact CG1-CG 4.16Å
197	V	86.2	Confident	76.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.5	179.4	179.6	0	0	0	0	110.3	I187 L190 I191 S195 V223 L250	I187-V197 HydrophobicContact CG2-CG1 4.44Å; L190-V197 HydrophobicContact CB-CG2 3.95Å; I191-V197 HydrophobicContact CG1-CB 4.25Å; I191-V197 HydrophobicContact CG1-CG2 3.79Å; S195-V197 PolarHBondContact O-N 3.38Å; V197-V223 HydrophobicContact CB-CB 4.37Å; V197-V223 HydrophobicContact CG1-CB 4.21Å; V197-V223 HydrophobicContact CG1-CG2 4.42Å; V197-V223 PolarHBondContact O-N 3.32Å; V197-L250 HydrophobicContact CG1-CD2 3.4Å
198	C	88.9	Confident	75.2	Confident	28 Å²	28	54 Å²	54	19%	0.189	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.5	176.5	-65.5	0	0	0	0	113	V220 R251 Q254	C198-V220 HydrophobicContact CB-CG1 4.47Å; C198-R251 PolarHBondContact O-N 3.06Å; C198-Q254 PolarHBondContact O-NE2 2.96Å; C198-Q254 VanDerWaalsContact O-NE2 3.15Å; C198-Q254 PolarHBondContact O-OE1 3.25Å
199	A	88.4	Confident	74.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.8	166.4	0	0	0	0	0	111.2	V220 I221 V223 V248 R249 L250	A199-V220 WeakPolarHBondContact O-CA 3.45Å; A199-I221 PolarHBondContact N-O 2.96Å; A199-I221 PolarHBondContact O-N 3.37Å; A199-V223 HydrophobicContact CB-CG2 3.76Å; A199-V248 HydrophobicContact CB-CB 4.02Å; A199-V248 HydrophobicContact CB-CG2 3.95Å; A199-R249 CarbonylContact C-O 3.58Å; A199-R249 VanDerWaalsContact CA-O 3.32Å; A199-R249 WeakPolarHBondContact CA-O 3.47Å; A199-L250 HydrophobicContact CB-CD2 4.18Å
200	E	87.2	Confident	74.9	Confident	34 Å²	34	58.4 Å²	58.4	16%	0.159	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.7	179.8	-167.1	169.1	144.2	0	0	110.4	D219 V248 R249 R251 L372	E200-D219 WeakPolarHBondContact CA-O 3.33Å; E200-V248 CarbonylContact O-C 3.43Å; E200-V248 WeakPolarHBondContact O-CA 3.47Å; E200-R249 PolarHBondContact N-O 3.34Å; E200-R249 PolarHBondContact O-N 3.14Å; E200-R251 IonicContact OE2-CZ 3.63Å; E200-R251 IonicContact OE2-NE 2.78Å; E200-R251 PolarHBondContact OE2-NE 3.05Å; E200-R251 IonicContact OE2-NH2 3.2Å; E200-R251 PolarHBondContact OE2-NH2 3.15Å; E200-L372 HydrophobicContact CB-CD1 4.32Å; E200-L372 HydrophobicContact CG-CD1 4.47Å; E200-L372 HydrophobicContact CG-CD2 4.15Å; E200-L372 WeakPolarHBondContact OE1-CD2 3.27Å
201	A	84.9	Confident	75.1	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129	-169.2	0	0	0	0	0	113.7	F215 K216 A217 G218 D219	A201-F215 HydrophobicContact CB-CD2 3.51Å; A201-F215 HydrophobicContact CB-CE2 3.61Å; A201-K216 WeakPolarHBondContact CB-O 3.4Å; A201-A217 CarbonylContact O-C 3.56Å; A201-A217 WeakPolarHBondContact O-CA 3.41Å; A201-G218 PolarHBondContact O-N 3.15Å; A201-D219 PolarHBondContact N-O 2.73Å
202	L	74.8	Confident	75.3	Confident	10 Å²	10	61.6 Å²	61.6	5%	0.052	35%	0.354	C	S	.	.	S	Bend	trans	-81.2	-25.8	173.3	-62.7	168.2	0	0	0	112.8	F247 V248 R249 C368 K369 L372	L202-F247 WeakPolarHBondContact CB-O 3.46Å; L202-F247 PolarHBondContact N-O 2.83Å; L202-V248 VanDerWaalsContact CD1-O 3.3Å; L202-V248 WeakPolarHBondContact CD1-O 3.27Å; L202-R249 HydrophobicContact CD2-CB 4.3Å; L202-C368 HydrophobicContact CB-CB 4.29Å; L202-C368 HydrophobicContact CD2-CB 4.22Å; L202-C368 VanDerWaalsContact CD2-O 3.23Å; L202-C368 WeakPolarHBondContact CD2-O 3.27Å; L202-K369 HydrophobicContact CD1-CG 4.15Å; L202-K369 HydrophobicContact CD2-CB 4.32Å; L202-K369 HydrophobicContact CD2-CG 3.57Å; L202-L372 HydrophobicContact CD2-CD1 3.5Å; L202-L372 VanDerWaalsContact CD2-CD1 3.5Å; L202-L372 HydrophobicContact CD2-CG 4.28Å; L202-L372 HydrophobicContact CG-CD1 4.24Å
203	W	69.1	Low	75.9	Confident	17 Å²	17	57.2 Å²	57.2	6%	0.064	32%	0.323	C	S	.	.	S	Bend	trans	-144.2	155.9	-170.9	-66	105.7	0	0	0	110.9	H205 F215 F247 V364 C368 I405 N406	W203-H205 PolarHBondContact O-N 2.98Å; W203-F215 WeakPolarHBondContact O-CE2 3.18Å; W203-F247 HydrophobicContact CB-CD1 3.56Å; W203-F247 HydrophobicContact CB-CE1 3.95Å; W203-F247 HydrophobicContact CB-CG 4.14Å; W203-F247 HydrophobicContact CG-CD1 4.36Å; W203-V364 HydrophobicContact CH2-CG1 4.3Å; W203-V364 HydrophobicContact CZ2-CG1 3.75Å; W203-C368 VanDerWaalsContact CH2-SG 3.54Å; W203-C368 HydrophobicContact CZ2-CB 4.32Å; W203-C368 WeakPolarHBondContact CZ2-SG 3.31Å; W203-I405 HydrophobicContact CH2-CG2 4.15Å; W203-N406 HydrophobicContact CZ3-CB 3.92Å
204	D	76.1	Confident	76.2	Confident	48 Å²	48	52.9 Å²	52.9	26%	0.257	31%	0.31	S	S	.	.			trans	-69.5	117.9	163.6	-80.5	41.4	0	0	0	109.8	V206 F215 K216 A217	D204-V206 HydrophobicContact CB-CG2 4.08Å; D204-V206 PolarHBondContact O-N 2.99Å; D204-F215 CarbonylContact C-O 3.57Å; D204-F215 WeakPolarHBondContact CA-O 3.49Å; D204-K216 WeakPolarHBondContact OD1-CA 3.43Å; D204-K216 IonicContact OD2-NZ 3.9Å; D204-K216 PolarHBondContact OD2-NZ 3.25Å; D204-A217 PolarHBondContact OD1-N 2.84Å
205	H	75	Confident	77	Confident	19 Å²	19	50.3 Å²	50.3	9%	0.088	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-92	94.3	166.7	-175.5	25.6	0	0	0	108.4	W203 T207 E212 L213 G214 F215 P244 F247	W203-H205 PolarHBondContact O-N 2.98Å; H205-T207 PolarHBondContact O-N 3.4Å; H205-E212 IonicContact CE1-OE2 2.73Å; H205-E212 PolarHBondContact CE1-OE2 3.44Å; H205-E212 IonicContact NE2-OE2 3.45Å; H205-L213 PolarHBondContact CD2-O 2.76Å; H205-G214 VanDerWaalsContact O-CA 3.3Å; H205-G214 WeakPolarHBondContact O-CA 3.49Å; H205-F215 HydrophobicContact CB-CD1 4.21Å; H205-F215 HydrophobicContact CB-CD2 4.02Å; H205-F215 HydrophobicContact CB-CE1 3.87Å; H205-F215 HydrophobicContact CB-CE2 3.65Å; H205-F215 HydrophobicContact CB-CG 4.29Å; H205-F215 HydrophobicContact CB-CZ 3.58Å; H205-F215 AromaticContact CD2-CE1 3.95Å; H205-F215 PolarHBondContact N-O 2.72Å; H205-F215 PolarHBondContact O-N 2.9Å; H205-P244 WeakPolarHBondContact NE2-CD 3.38Å; H205-F247 HydrophobicContact CB-CD1 4.09Å; H205-F247 HydrophobicContact CB-CE1 4.49Å
206	V	73.7	Confident	77.1	Confident	104 Å²	104	53.4 Å²	53.4	63%	0.63	29%	0.288	S	S	*	.			trans	-93.5	89.3	179.6	-174	0	0	0	0	109.8	D204	D204-V206 HydrophobicContact CB-CG2 4.08Å; D204-V206 PolarHBondContact O-N 2.99Å
207	T	65.7	Low	76.9	Confident	24 Å²	24	51.7 Å²	51.7	15%	0.147	28%	0.283	C	S	.	.			trans	-95.5	163	173.1	-168.1	0	0	0	0	113	H205 D209 E212	H205-T207 PolarHBondContact O-N 3.4Å; T207-D209 PolarHBondContact OG1-N 3.24Å; T207-D209 VanDerWaalsContact OG1-N 3.11Å; T207-E212 WeakPolarHBondContact CB-OE2 3.45Å; T207-E212 HydrophobicContact CG2-CB 3.65Å; T207-E212 WeakPolarHBondContact OG1-CB 3.09Å; T207-E212 PolarHBondContact OG1-OE2 3.22Å
208	M	47.9	Very low	76.6	Confident	141 Å²	141	53.2 Å²	53.2	70%	0.695	30%	0.3	S	S	*	.			trans	-125.6	2.6	168.5	-60.5	-84	89.5	0	0	111.8
209	D	61.9	Low	76.4	Confident	87 Å²	87	54.6 Å²	54.6	47%	0.465	31%	0.305	S	S	.	.			trans	-77.4	157.2	172.3	-157.1	-76.3	0	0	0	109.9	T207 Q211 E212	T207-D209 PolarHBondContact OG1-N 3.24Å; T207-D209 VanDerWaalsContact OG1-N 3.11Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.5Å; D209-Q211 PolarHBondContact OD1-N 2.8Å; D209-E212 HydrophobicContact CB-CB 4.16Å; D209-E212 HydrophobicContact CB-CG 4.08Å
210	D	73.3	Confident	76.4	Confident	153 Å²	153	57.7 Å²	57.7	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-99.6	0.3	177.2	63	-11.1	0	0	0	113.8
211	Q	72.8	Confident	76.6	Confident	122 Å²	122	56 Å²	56	57%	0.57	32%	0.316	S	S	*	.	S	Bend	trans	-105.3	-10	169.9	-55.5	-177	34.1	0	0	113.3	D209 G241 W242	D209-Q211 WeakPolarHBondContact OD1-CB 3.5Å; D209-Q211 PolarHBondContact OD1-N 2.8Å; Q211-G241 WeakPolarHBondContact O-CA 3.47Å; Q211-W242 PolarHBondContact O-N 2.83Å
212	E	81.6	Confident	76.9	Confident	63 Å²	63	58.6 Å²	58.6	29%	0.294	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-97.6	145.3	176.3	-69.3	-175.2	176.5	0	0	112.3	H205 T207 D209 G214 W231 W242	H205-E212 IonicContact CE1-OE2 2.73Å; H205-E212 PolarHBondContact CE1-OE2 3.44Å; H205-E212 IonicContact NE2-OE2 3.45Å; T207-E212 WeakPolarHBondContact CB-OE2 3.45Å; T207-E212 HydrophobicContact CG2-CB 3.65Å; T207-E212 WeakPolarHBondContact OG1-CB 3.09Å; T207-E212 PolarHBondContact OG1-OE2 3.22Å; D209-E212 HydrophobicContact CB-CB 4.16Å; D209-E212 HydrophobicContact CB-CG 4.08Å; E212-G214 PolarHBondContact O-N 3.4Å; E212-W231 HydrophobicContact CG-CH2 4.44Å; E212-W231 HydrophobicContact CG-CZ3 4.09Å; E212-W231 VanDerWaalsContact OE1-CH2 3.3Å; E212-W231 WeakPolarHBondContact OE1-CH2 3.48Å; E212-W242 CarbonylContact C-O 3.53Å; E212-W242 VanDerWaalsContact CA-O 3.25Å; E212-W242 WeakPolarHBondContact CA-O 3.37Å
213	L	86.2	Confident	77.7	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.047	33%	0.326	C	S	.	.			trans	-94	100.7	-175.4	-169.1	68	0	0	0	112	H205 F215 I221 V236 W242 F243	H205-L213 PolarHBondContact CD2-O 2.76Å; L213-F215 HydrophobicContact CG-CD1 4.39Å; L213-F215 WeakPolarHBondContact O-CD1 3.12Å; L213-F215 WeakPolarHBondContact O-CE1 3.31Å; L213-I221 HydrophobicContact CD2-CG2 3.95Å; L213-V236 HydrophobicContact CD1-CG2 3.97Å; L213-V236 HydrophobicContact CD2-CG1 4.2Å; L213-W242 PolarHBondContact N-O 3.44Å; L213-F243 HydrophobicContact CB-CB 4.35Å; L213-F243 HydrophobicContact CD2-CD1 4.11Å
214	G	81.1	Confident	78.5	Confident	45 Å²	45	60.7 Å²	60.7	46%	0.464	34%	0.339	S	S	.	.			trans	-75.3	124.3	177.9	0	0	0	0	0	113.9	H205 E212	H205-G214 VanDerWaalsContact O-CA 3.3Å; H205-G214 WeakPolarHBondContact O-CA 3.49Å; E212-G214 PolarHBondContact O-N 3.4Å
215	F	84.1	Confident	79	Confident	9 Å²	9	61 Å²	61	4%	0.039	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-146.9	173.9	179.3	55.5	-105.2	0	0	0	113.3	A201 W203 D204 H205 L213 D219 I221 F243 F247 V248	A201-F215 HydrophobicContact CB-CD2 3.51Å; A201-F215 HydrophobicContact CB-CE2 3.61Å; W203-F215 WeakPolarHBondContact O-CE2 3.18Å; D204-F215 CarbonylContact C-O 3.57Å; D204-F215 WeakPolarHBondContact CA-O 3.49Å; H205-F215 HydrophobicContact CB-CD1 4.21Å; H205-F215 HydrophobicContact CB-CD2 4.02Å; H205-F215 HydrophobicContact CB-CE1 3.87Å; H205-F215 HydrophobicContact CB-CE2 3.65Å; H205-F215 HydrophobicContact CB-CG 4.29Å; H205-F215 HydrophobicContact CB-CZ 3.58Å; H205-F215 AromaticContact CD2-CE1 3.95Å; H205-F215 PolarHBondContact N-O 2.72Å; H205-F215 PolarHBondContact O-N 2.9Å; L213-F215 HydrophobicContact CG-CD1 4.39Å; L213-F215 WeakPolarHBondContact O-CD1 3.12Å; L213-F215 WeakPolarHBondContact O-CE1 3.31Å; F215-D219 HydrophobicContact CB-CB 4.3Å; F215-I221 HydrophobicContact CD1-CD1 3.4Å; F215-I221 VanDerWaalsContact CD1-CD1 3.4Å; F215-I221 HydrophobicContact CD1-CG1 4.5Å; F215-I221 HydrophobicContact CD2-CD1 4.13Å; F215-I221 HydrophobicContact CE1-CD1 3.39Å; F215-I221 HydrophobicContact CE2-CD1 4.14Å; F215-I221 HydrophobicContact CG-CD1 3.79Å; F215-I221 HydrophobicContact CZ-CD1 3.79Å; F215-F243 HydrophobicContact CE1-CB 3.57Å; F215-F243 HydrophobicContact CE1-CD2 4.11Å; F215-F243 AromaticContact CE1-CG 3.91Å; F215-F243 HydrophobicContact CE1-CG 3.91Å; F215-F243 HydrophobicContact CZ-CB 4.18Å; F215-F243 HydrophobicContact CZ-CD2 4.24Å; F215-F243 HydrophobicContact CZ-CG 4.46Å; F215-F247 HydrophobicContact CE2-CB 4.38Å; F215-F247 HydrophobicContact CZ-CB 4.22Å; F215-V248 HydrophobicContact CZ-CG1 4.21Å
216	K	78.8	Confident	79.5	Confident	117 Å²	117	60.1 Å²	60.1	51%	0.509	34%	0.337	S	S	.	.			trans	-113.2	156.3	178.3	-57.8	-163.6	149.5	-69.7	0	112.5	A201 D204 G218 D219	A201-K216 WeakPolarHBondContact CB-O 3.4Å; D204-K216 WeakPolarHBondContact OD1-CA 3.43Å; D204-K216 IonicContact OD2-NZ 3.9Å; D204-K216 PolarHBondContact OD2-NZ 3.25Å; K216-G218 PolarHBondContact O-N 2.87Å; K216-D219 WeakPolarHBondContact CA-OD2 3.41Å; K216-D219 WeakPolarHBondContact CB-OD2 3.36Å; K216-D219 PolarHBondContact N-OD2 2.73Å; K216-D219 WeakPolarHBondContact O-CB 3.35Å; K216-D219 PolarHBondContact O-N 3.27Å
217	A	77.9	Confident	79.8	Confident	50 Å²	50	60.1 Å²	60.1	41%	0.413	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	126.4	173.5	0	0	0	0	0	111	A201 D204	A201-A217 CarbonylContact O-C 3.56Å; A201-A217 WeakPolarHBondContact O-CA 3.41Å; D204-A217 PolarHBondContact OD1-N 2.84Å
218	G	79.1	Confident	80.5	Confident	37 Å²	37	62.6 Å²	62.6	38%	0.381	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-3.4	-173.1	0	0	0	0	0	115.8	A201 K216	A201-G218 PolarHBondContact O-N 3.15Å; K216-G218 PolarHBondContact O-N 2.87Å
219	D	84.3	Confident	81.5	Confident	57 Å²	57	61.9 Å²	61.9	31%	0.305	34%	0.339	S	S	.	.			trans	-71.7	146.6	169.2	-68.5	-24.3	0	0	0	110.5	E200 A201 F215 K216	E200-D219 WeakPolarHBondContact CA-O 3.33Å; A201-D219 PolarHBondContact N-O 2.73Å; F215-D219 HydrophobicContact CB-CB 4.3Å; K216-D219 WeakPolarHBondContact CA-OD2 3.41Å; K216-D219 WeakPolarHBondContact CB-OD2 3.36Å; K216-D219 PolarHBondContact N-OD2 2.73Å; K216-D219 WeakPolarHBondContact O-CB 3.35Å; K216-D219 PolarHBondContact O-N 3.27Å
220	V	89.1	Confident	82	Confident	64 Å²	64	64.3 Å²	64.3	39%	0.388	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.5	180	-171.5	0	0	0	0	109.4	C198 A199 R251	C198-V220 HydrophobicContact CB-CG1 4.47Å; A199-V220 WeakPolarHBondContact O-CA 3.45Å; V220-R251 VanDerWaalsContact CG2-NH2 3.25Å
221	I	91.4	Very high	82.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.3	-173.4	-49.6	177.9	0	0	0	108.7	A199 L213 F215 V236 F243 V248	A199-I221 PolarHBondContact N-O 2.96Å; A199-I221 PolarHBondContact O-N 3.37Å; L213-I221 HydrophobicContact CD2-CG2 3.95Å; F215-I221 HydrophobicContact CD1-CD1 3.4Å; F215-I221 VanDerWaalsContact CD1-CD1 3.4Å; F215-I221 HydrophobicContact CD1-CG1 4.5Å; F215-I221 HydrophobicContact CD2-CD1 4.13Å; F215-I221 HydrophobicContact CE1-CD1 3.39Å; F215-I221 HydrophobicContact CE2-CD1 4.14Å; F215-I221 HydrophobicContact CG-CD1 3.79Å; F215-I221 HydrophobicContact CZ-CD1 3.79Å; I221-V236 HydrophobicContact CB-CG1 4.34Å; I221-V236 HydrophobicContact CG1-CG1 3.85Å; I221-V236 HydrophobicContact CG2-CG1 4.31Å; I221-F243 HydrophobicContact CG2-CD1 4.49Å; I221-F243 HydrophobicContact CG2-CE1 3.91Å; I221-F243 HydrophobicContact CG2-CZ 4.1Å; I221-V248 HydrophobicContact CD1-CG1 3.94Å
222	E	91.4	Very high	83.4	Confident	54 Å²	54	56.2 Å²	56.2	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.4	168.2	177.4	-175.4	-174.7	0	0	108.3	V196 M224 G234 R235	V196-E222 HydrophobicContact CG1-CG 4.16Å; E222-M224 HydrophobicContact CG-SD 3.87Å; E222-G234 CarbonylContact O-C 3.59Å; E222-G234 WeakPolarHBondContact O-CA 3.5Å; E222-R235 HydrophobicContact CB-CB 4.22Å; E222-R235 PolarHBondContact N-O 2.99Å; E222-R235 PolarHBondContact O-N 2.95Å; E222-R235 IonicContact OE1-NH1 3.97Å; E222-R235 PolarHBondContact OE1-NH1 3.35Å; E222-R235 WeakPolarHBondContact OE2-CD 3.2Å; E222-R235 IonicContact OE2-CZ 3.58Å; E222-R235 IonicContact OE2-NE 3.69Å; E222-R235 IonicContact OE2-NH1 2.82Å; E222-R235 PolarHBondContact OE2-NH1 2.87Å
223	V	90.6	Very high	83.8	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.7	-178.8	-171.8	0	0	0	0	108.6	I191 V197 A199 A226 W232 F243 L250	I191-V223 HydrophobicContact CD1-CG1 4.22Å; V197-V223 HydrophobicContact CB-CB 4.37Å; V197-V223 HydrophobicContact CG1-CB 4.21Å; V197-V223 HydrophobicContact CG1-CG2 4.42Å; V197-V223 PolarHBondContact O-N 3.32Å; A199-V223 HydrophobicContact CB-CG2 3.76Å; V223-A226 HydrophobicContact CG1-CB 4.18Å; V223-W232 HydrophobicContact CG1-CB 4.33Å; V223-W232 HydrophobicContact CG1-CD2 4.2Å; V223-W232 HydrophobicContact CG1-CE3 3.84Å; V223-W232 HydrophobicContact CG1-CG 4.44Å; V223-W232 HydrophobicContact CG2-CE3 4.23Å; V223-W232 HydrophobicContact CG2-CZ3 4.49Å; V223-F243 HydrophobicContact CG2-CZ 4.36Å; V223-L250 HydrophobicContact CG2-CD2 4.25Å
224	M	87.3	Confident	84	Confident	67 Å²	67	56.1 Å²	56.1	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-30.3	-171.8	-66.7	-64	-51.6	0	0	112.9	I191 E222 W233 R235	I191-M224 WeakPolarHBondContact CG2-O 3.43Å; E222-M224 HydrophobicContact CG-SD 3.87Å; M224-W233 PolarHBondContact N-O 3.09Å; M224-R235 HydrophobicContact CG-CB 4.45Å; M224-R235 PolarHBondContact SD-NH1 3.14Å; M224-R235 VanDerWaalsContact SD-NH1 3.41Å
225	D	85.9	Confident	84.5	Confident	55 Å²	55	57.8 Å²	57.8	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	121.3	174	-175.8	-9.1	0	0	0	109	T227 W232 W233	D225-T227 WeakPolarHBondContact OD1-CB 3.42Å; D225-T227 PolarHBondContact OD1-N 2.89Å; D225-T227 PolarHBondContact OD1-OG1 3.08Å; D225-W232 CarbonylContact O-C 3.55Å; D225-W232 VanDerWaalsContact O-CA 3.24Å; D225-W232 WeakPolarHBondContact O-CA 3.49Å; D225-W232 WeakPolarHBondContact O-CB 3.22Å; D225-W233 HydrophobicContact CB-CB 3.86Å; D225-W233 PolarHBondContact N-O 3.18Å; D225-W233 VanDerWaalsContact N-O 3.17Å; D225-W233 PolarHBondContact O-N 2.94Å
226	A	85.2	Confident	84.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.			trans	-116.7	27.1	176.4	0	0	0	0	0	112.2	Q184 I187 N188 I191 V223 N228 W232	Q184-A226 WeakPolarHBondContact CG-O 3.26Å; Q184-A226 PolarHBondContact NE2-O 3.19Å; I187-A226 HydrophobicContact CB-CB 4.37Å; I187-A226 HydrophobicContact CG2-CB 3.52Å; N188-A226 VanDerWaalsContact ND2-C 3.3Å; N188-A226 PolarHBondContact ND2-O 3.47Å; N188-A226 WeakPolarHBondContact OD1-CA 3.28Å; N188-A226 PolarHBondContact OD1-N 3.1Å; I191-A226 HydrophobicContact CD1-CB 4.1Å; V223-A226 HydrophobicContact CG1-CB 4.18Å; A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.13Å; A226-W232 HydrophobicContact CB-CD2 4.18Å; A226-W232 HydrophobicContact CB-CG 4.21Å
227	T	81.1	Confident	84.6	Confident	104 Å²	104	58.6 Å²	58.6	64%	0.638	32%	0.316	S	S	*	.			trans	-67.5	-32.7	-176.9	-58.4	0	0	0	0	112.7	N188 D225	N188-T227 PolarHBondContact OD1-N 3.38Å; D225-T227 WeakPolarHBondContact OD1-CB 3.42Å; D225-T227 PolarHBondContact OD1-N 2.89Å; D225-T227 PolarHBondContact OD1-OG1 3.08Å
228	N	78.9	Confident	84.4	Confident	77 Å²	77	64.3 Å²	64.3	41%	0.412	34%	0.34	S	S	.	.	S	Bend	trans	-95.3	137.3	179.3	169.8	-9.9	0	0	0	110.7	Q184 A226 E230 W231 W232	Q184-N228 PolarHBondContact NE2-O 3.17Å; A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.13Å; N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 3.43Å; N228-E230 PolarHBondContact OD1-N 3.14Å; N228-W231 VanDerWaalsContact CB-O 3.25Å; N228-W231 WeakPolarHBondContact CB-O 3.28Å; N228-W231 PolarHBondContact OD1-N 3.33Å; N228-W232 PolarHBondContact O-NE1 2.91Å
229	R	69.5	Low	84.5	Confident	126 Å²	126	64.1 Å²	64.1	48%	0.475	34%	0.338	S	S	.	.	S	Bend	trans	-70.2	-23.8	-174.4	-166.8	175.5	-177.6	-148.4	0.3	114.4	D353	R229-D353 PolarHBondContact NH1-O 2.97Å
230	E	72.4	Confident	84.8	Confident	138 Å²	138	65.6 Å²	65.6	65%	0.645	34%	0.343	S	S	*	.	S	Bend	trans	-111.8	-28.1	-175.6	-64.5	-172.7	170	0	0	113.3	N228 P244 A245	N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 3.43Å; N228-E230 PolarHBondContact OD1-N 3.14Å; E230-P244 CarbonylContact O-C 3.54Å; E230-P244 VanDerWaalsContact O-CA 3.23Å; E230-P244 WeakPolarHBondContact O-CA 3.48Å; E230-A245 PolarHBondContact O-N 3.28Å
231	W	84.9	Confident	84.8	Confident	82 Å²	82	62.6 Å²	62.6	31%	0.311	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.2	-177	-70	84.9	0	0	0	111.4	E212 N228 W242 F243	E212-W231 HydrophobicContact CG-CH2 4.44Å; E212-W231 HydrophobicContact CG-CZ3 4.09Å; E212-W231 VanDerWaalsContact OE1-CH2 3.3Å; E212-W231 WeakPolarHBondContact OE1-CH2 3.48Å; N228-W231 VanDerWaalsContact CB-O 3.25Å; N228-W231 WeakPolarHBondContact CB-O 3.28Å; N228-W231 PolarHBondContact OD1-N 3.33Å; W231-W242 HydrophobicContact CB-CE3 4.29Å; W231-W242 HydrophobicContact CE3-CB 4.05Å; W231-W242 HydrophobicContact CZ3-CB 4.46Å; W231-F243 CarbonylContact C-O 3.59Å; W231-F243 WeakPolarHBondContact CA-O 3.5Å; W231-F243 VanDerWaalsContact CE3-C 3.41Å
232	W	91.4	Very high	84.7	Confident	22 Å²	22	66.8 Å²	66.8	8%	0.083	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	150	179.1	-65.6	-12.6	0	0	0	110.2	I187 V223 D225 A226 N228 W242 F243 A245 V248 L250	I187-W232 HydrophobicContact CD1-CH2 4.24Å; I187-W232 HydrophobicContact CD1-CZ2 4.24Å; V223-W232 HydrophobicContact CG1-CB 4.33Å; V223-W232 HydrophobicContact CG1-CD2 4.2Å; V223-W232 HydrophobicContact CG1-CE3 3.84Å; V223-W232 HydrophobicContact CG1-CG 4.44Å; V223-W232 HydrophobicContact CG2-CE3 4.23Å; V223-W232 HydrophobicContact CG2-CZ3 4.49Å; D225-W232 CarbonylContact O-C 3.55Å; D225-W232 VanDerWaalsContact O-CA 3.24Å; D225-W232 WeakPolarHBondContact O-CA 3.49Å; D225-W232 WeakPolarHBondContact O-CB 3.22Å; A226-W232 HydrophobicContact CB-CD2 4.18Å; A226-W232 HydrophobicContact CB-CG 4.21Å; N228-W232 PolarHBondContact O-NE1 2.91Å; W232-W242 VanDerWaalsContact C-CE3 3.43Å; W232-W242 CarbonylContact O-C 3.56Å; W232-W242 WeakPolarHBondContact O-CA 3.43Å; W232-F243 HydrophobicContact CB-CE1 3.89Å; W232-F243 HydrophobicContact CB-CE2 4.13Å; W232-F243 HydrophobicContact CB-CZ 3.68Å; W232-F243 HydrophobicContact CE3-CE2 4.06Å; W232-F243 HydrophobicContact CE3-CZ 4.01Å; W232-F243 PolarHBondContact N-O 3.11Å; W232-F243 VanDerWaalsContact O-CD1 3.24Å; W232-F243 WeakPolarHBondContact O-CD1 3.39Å; W232-F243 PolarHBondContact O-N 3.05Å; W232-A245 HydrophobicContact CD2-CB 3.58Å; W232-A245 VanDerWaalsContact CE2-CB 3.42Å; W232-A245 HydrophobicContact CE3-CB 4.06Å; W232-A245 HydrophobicContact CG-CB 3.96Å; W232-A245 HydrophobicContact CH2-CB 4.26Å; W232-A245 HydrophobicContact CZ2-CB 3.8Å; W232-A245 HydrophobicContact CZ3-CB 4.38Å; W232-V248 HydrophobicContact CE3-CG2 4.13Å; W232-V248 HydrophobicContact CZ3-CG2 3.82Å; W232-L250 HydrophobicContact CH2-CD1 3.82Å; W232-L250 HydrophobicContact CH2-CG 4.19Å; W232-L250 HydrophobicContact CZ3-CD1 4.24Å; W232-L250 HydrophobicContact CZ3-CD2 4.32Å; W232-L250 HydrophobicContact CZ3-CG 4.13Å
233	W	88.9	Confident	84.4	Confident	71 Å²	71	64.2 Å²	64.2	27%	0.269	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142	167.3	-169.4	-98.6	0	0	0	108.7	M224 D225 E240 W242	M224-W233 PolarHBondContact N-O 3.09Å; D225-W233 HydrophobicContact CB-CB 3.86Å; D225-W233 PolarHBondContact N-O 3.18Å; D225-W233 VanDerWaalsContact N-O 3.17Å; D225-W233 PolarHBondContact O-N 2.94Å; W233-E240 HydrophobicContact CZ2-CB 3.88Å; W233-E240 PolarHBondContact NE1-OE2 2.98Å; W233-W242 HydrophobicContact CB-CE3 4.23Å; W233-W242 HydrophobicContact CB-CH2 4.27Å; W233-W242 HydrophobicContact CB-CZ3 4.04Å; W233-W242 HydrophobicContact CE3-CB 4.37Å; W233-W242 AromaticContact CE3-CD1 3.62Å; W233-W242 AromaticContact CE3-CD2 3.71Å; W233-W242 HydrophobicContact CE3-CD2 3.71Å; W233-W242 AromaticContact CE3-CE2 3.61Å; W233-W242 HydrophobicContact CE3-CE3 4.42Å; W233-W242 AromaticContact CE3-CG 3.68Å; W233-W242 HydrophobicContact CE3-CG 3.68Å; W233-W242 HydrophobicContact CE3-CZ2 4.21Å; W233-W242 VanDerWaalsContact CE3-N 3.33Å; W233-W242 AromaticContact CE3-NE1 3.57Å; W233-W242 AromaticContact CZ3-CD1 3.49Å; W233-W242 VanDerWaalsContact CZ3-CD1 3.49Å; W233-W242 HydrophobicContact CZ3-CD2 4.38Å; W233-W242 AromaticContact CZ3-CG 3.97Å; W233-W242 HydrophobicContact CZ3-CG 3.97Å; W233-W242 AromaticContact CZ3-NE1 3.59Å
234	G	90.9	Very high	84	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	175.7	177.4	0	0	0	0	0	114.6	E222 E240 G241	E222-G234 CarbonylContact O-C 3.59Å; E222-G234 WeakPolarHBondContact O-CA 3.5Å; G234-E240 VanDerWaalsContact O-CA 3.24Å; G234-E240 WeakPolarHBondContact O-CA 3.31Å; G234-G241 PolarHBondContact N-O 2.75Å; G234-G241 PolarHBondContact O-N 3.01Å
235	R	90.8	Very high	83.8	Confident	80 Å²	80	62 Å²	62	30%	0.302	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.7	-177	-174.3	-177	-60.2	120.2	6.2	111.2	E222 M224 E240	E222-R235 HydrophobicContact CB-CB 4.22Å; E222-R235 PolarHBondContact N-O 2.99Å; E222-R235 PolarHBondContact O-N 2.95Å; E222-R235 IonicContact OE1-NH1 3.97Å; E222-R235 PolarHBondContact OE1-NH1 3.35Å; E222-R235 WeakPolarHBondContact OE2-CD 3.2Å; E222-R235 IonicContact OE2-CZ 3.58Å; E222-R235 IonicContact OE2-NE 3.69Å; E222-R235 IonicContact OE2-NH1 2.82Å; E222-R235 PolarHBondContact OE2-NH1 2.87Å; M224-R235 HydrophobicContact CG-CB 4.45Å; M224-R235 PolarHBondContact SD-NH1 3.14Å; M224-R235 VanDerWaalsContact SD-NH1 3.41Å; R235-E240 HydrophobicContact CB-CG 3.85Å; R235-E240 HydrophobicContact CG-CG 3.82Å; R235-E240 IonicContact CZ-OE1 3.14Å; R235-E240 IonicContact NE-OE1 3.97Å; R235-E240 PolarHBondContact NE-OE1 3.38Å; R235-E240 IonicContact NH2-OE1 2.75Å; R235-E240 PolarHBondContact NH2-OE1 2.99Å
236	V	88	Confident	83.4	Confident	30 Å²	30	61.7 Å²	61.7	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	171.2	161.6	-61.4	0	0	0	0	108.9	L213 I221 D238 G239	L213-V236 HydrophobicContact CD1-CG2 3.97Å; L213-V236 HydrophobicContact CD2-CG1 4.2Å; I221-V236 HydrophobicContact CB-CG1 4.34Å; I221-V236 HydrophobicContact CG1-CG1 3.85Å; I221-V236 HydrophobicContact CG2-CG1 4.31Å; V236-D238 HydrophobicContact CG2-CB 4.49Å; V236-D238 PolarHBondContact O-N 2.78Å; V236-G239 PolarHBondContact N-O 3.42Å; V236-G239 PolarHBondContact O-N 2.89Å; V236-G239 VanDerWaalsContact O-N 3.11Å
237	A	76.7	Confident	83.1	Confident	113 Å²	113	64.2 Å²	64.2	93%	0.934	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	-178.6	0	0	0	0	0	114.7
238	D	74.2	Confident	83.3	Confident	170 Å²	170	59.6 Å²	59.6	91%	0.909	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.8	-179.9	-74.4	-41	0	0	0	114.3	V236	V236-D238 HydrophobicContact CG2-CB 4.49Å; V236-D238 PolarHBondContact O-N 2.78Å
239	G	81	Confident	83.5	Confident	33 Å²	33	56.7 Å²	56.7	34%	0.34	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-175.3	179.9	0	0	0	0	0	116.8	V236	V236-G239 PolarHBondContact N-O 3.42Å; V236-G239 PolarHBondContact O-N 2.89Å; V236-G239 VanDerWaalsContact O-N 3.11Å
240	E	92	Very high	84.3	Confident	88 Å²	88	53 Å²	53	41%	0.411	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.8	173.9	-67.8	-170.4	-160	0	0	111.1	W233 G234 R235	W233-E240 HydrophobicContact CZ2-CB 3.88Å; W233-E240 PolarHBondContact NE1-OE2 2.98Å; G234-E240 VanDerWaalsContact O-CA 3.24Å; G234-E240 WeakPolarHBondContact O-CA 3.31Å; R235-E240 HydrophobicContact CB-CG 3.85Å; R235-E240 HydrophobicContact CG-CG 3.82Å; R235-E240 IonicContact CZ-OE1 3.14Å; R235-E240 IonicContact NE-OE1 3.97Å; R235-E240 PolarHBondContact NE-OE1 3.38Å; R235-E240 IonicContact NH2-OE1 2.75Å; R235-E240 PolarHBondContact NH2-OE1 2.99Å
241	G	88.9	Confident	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.6	174.3	177.5	0	0	0	0	0	114.8	Q211 G234	Q211-G241 WeakPolarHBondContact O-CA 3.47Å; G234-G241 PolarHBondContact N-O 2.75Å; G234-G241 PolarHBondContact O-N 3.01Å
242	W	87.8	Confident	84.4	Confident	88 Å²	88	48.7 Å²	48.7	33%	0.333	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.4	170.1	-71.4	109.6	0	0	0	111.5	Q211 E212 L213 W231 W232 W233	Q211-W242 PolarHBondContact O-N 2.83Å; E212-W242 CarbonylContact C-O 3.53Å; E212-W242 VanDerWaalsContact CA-O 3.25Å; E212-W242 WeakPolarHBondContact CA-O 3.37Å; L213-W242 PolarHBondContact N-O 3.44Å; W231-W242 HydrophobicContact CB-CE3 4.29Å; W231-W242 HydrophobicContact CE3-CB 4.05Å; W231-W242 HydrophobicContact CZ3-CB 4.46Å; W232-W242 VanDerWaalsContact C-CE3 3.43Å; W232-W242 CarbonylContact O-C 3.56Å; W232-W242 WeakPolarHBondContact O-CA 3.43Å; W233-W242 HydrophobicContact CB-CE3 4.23Å; W233-W242 HydrophobicContact CB-CH2 4.27Å; W233-W242 HydrophobicContact CB-CZ3 4.04Å; W233-W242 HydrophobicContact CE3-CB 4.37Å; W233-W242 AromaticContact CE3-CD1 3.62Å; W233-W242 AromaticContact CE3-CD2 3.71Å; W233-W242 HydrophobicContact CE3-CD2 3.71Å; W233-W242 AromaticContact CE3-CE2 3.61Å; W233-W242 HydrophobicContact CE3-CE3 4.42Å; W233-W242 AromaticContact CE3-CG 3.68Å; W233-W242 HydrophobicContact CE3-CG 3.68Å; W233-W242 HydrophobicContact CE3-CZ2 4.21Å; W233-W242 VanDerWaalsContact CE3-N 3.33Å; W233-W242 AromaticContact CE3-NE1 3.57Å; W233-W242 AromaticContact CZ3-CD1 3.49Å; W233-W242 VanDerWaalsContact CZ3-CD1 3.49Å; W233-W242 HydrophobicContact CZ3-CD2 4.38Å; W233-W242 AromaticContact CZ3-CG 3.97Å; W233-W242 HydrophobicContact CZ3-CG 3.97Å; W233-W242 AromaticContact CZ3-NE1 3.59Å
243	F	85.4	Confident	83.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154	171.7	66.1	-84.7	0	0	0	112.6	L213 F215 I221 V223 W231 W232 A245 V248	L213-F243 HydrophobicContact CB-CB 4.35Å; L213-F243 HydrophobicContact CD2-CD1 4.11Å; F215-F243 HydrophobicContact CE1-CB 3.57Å; F215-F243 HydrophobicContact CE1-CD2 4.11Å; F215-F243 AromaticContact CE1-CG 3.91Å; F215-F243 HydrophobicContact CE1-CG 3.91Å; F215-F243 HydrophobicContact CZ-CB 4.18Å; F215-F243 HydrophobicContact CZ-CD2 4.24Å; F215-F243 HydrophobicContact CZ-CG 4.46Å; I221-F243 HydrophobicContact CG2-CD1 4.49Å; I221-F243 HydrophobicContact CG2-CE1 3.91Å; I221-F243 HydrophobicContact CG2-CZ 4.1Å; V223-F243 HydrophobicContact CG2-CZ 4.36Å; W231-F243 CarbonylContact C-O 3.59Å; W231-F243 WeakPolarHBondContact CA-O 3.5Å; W231-F243 VanDerWaalsContact CE3-C 3.41Å; W232-F243 HydrophobicContact CB-CE1 3.89Å; W232-F243 HydrophobicContact CB-CE2 4.13Å; W232-F243 HydrophobicContact CB-CZ 3.68Å; W232-F243 HydrophobicContact CE3-CE2 4.06Å; W232-F243 HydrophobicContact CE3-CZ 4.01Å; W232-F243 PolarHBondContact N-O 3.11Å; W232-F243 VanDerWaalsContact O-CD1 3.24Å; W232-F243 WeakPolarHBondContact O-CD1 3.39Å; W232-F243 PolarHBondContact O-N 3.05Å; F243-A245 PolarHBondContact O-N 3.12Å; F243-V248 HydrophobicContact CD2-CG1 3.9Å; F243-V248 HydrophobicContact CE2-CB 4.38Å; F243-V248 HydrophobicContact CE2-CG1 3.59Å; F243-V248 HydrophobicContact CE2-CG2 3.84Å
244	P	83.6	Confident	83.1	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.078	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.2	178.4	25.7	-31.8	0	0	0	111.5	H205 E230 S246 F247	H205-P244 WeakPolarHBondContact NE2-CD 3.38Å; E230-P244 CarbonylContact O-C 3.54Å; E230-P244 VanDerWaalsContact O-CA 3.23Å; E230-P244 WeakPolarHBondContact O-CA 3.48Å; P244-S246 PolarHBondContact O-N 3.4Å; P244-S246 VanDerWaalsContact O-N 3.09Å; P244-F247 HydrophobicContact CB-CD2 3.97Å; P244-F247 HydrophobicContact CB-CE2 4.46Å; P244-F247 HydrophobicContact CB-CG 4.44Å; P244-F247 HydrophobicContact CG-CB 4.04Å; P244-F247 HydrophobicContact CG-CD1 4.18Å; P244-F247 HydrophobicContact CG-CD2 3.58Å; P244-F247 HydrophobicContact CG-CE2 4.02Å; P244-F247 HydrophobicContact CG-CG 3.68Å; P244-F247 WeakPolarHBondContact O-CB 3.44Å; P244-F247 PolarHBondContact O-N 2.91Å
245	A	83.3	Confident	81.6	Confident	14 Å²	14	54.3 Å²	54.3	12%	0.116	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56.9	-28	178.2	0	0	0	0	0	112.9	E230 W232 F243 F247 V248	E230-A245 PolarHBondContact O-N 3.28Å; W232-A245 HydrophobicContact CD2-CB 3.58Å; W232-A245 VanDerWaalsContact CE2-CB 3.42Å; W232-A245 HydrophobicContact CE3-CB 4.06Å; W232-A245 HydrophobicContact CG-CB 3.96Å; W232-A245 HydrophobicContact CH2-CB 4.26Å; W232-A245 HydrophobicContact CZ2-CB 3.8Å; W232-A245 HydrophobicContact CZ3-CB 4.38Å; F243-A245 PolarHBondContact O-N 3.12Å; A245-F247 PolarHBondContact O-N 2.83Å; A245-V248 WeakPolarHBondContact O-CG2 3.42Å; A245-V248 PolarHBondContact O-N 2.84Å
246	S	76.9	Confident	80	Confident	47 Å²	47	55.2 Å²	55.2	33%	0.329	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.1	175.8	61.5	0	0	0	0	114.5	P244	P244-S246 PolarHBondContact O-N 3.4Å; P244-S246 VanDerWaalsContact O-N 3.09Å
247	F	78	Confident	77.7	Confident	54 Å²	54	59.7 Å²	59.7	24%	0.237	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-93.6	2.2	177.1	-79.8	-136.3	0	0	0	113.1	L202 W203 H205 F215 P244 A245	L202-F247 WeakPolarHBondContact CB-O 3.46Å; L202-F247 PolarHBondContact N-O 2.83Å; W203-F247 HydrophobicContact CB-CD1 3.56Å; W203-F247 HydrophobicContact CB-CE1 3.95Å; W203-F247 HydrophobicContact CB-CG 4.14Å; W203-F247 HydrophobicContact CG-CD1 4.36Å; H205-F247 HydrophobicContact CB-CD1 4.09Å; H205-F247 HydrophobicContact CB-CE1 4.49Å; F215-F247 HydrophobicContact CE2-CB 4.38Å; F215-F247 HydrophobicContact CZ-CB 4.22Å; P244-F247 HydrophobicContact CB-CD2 3.97Å; P244-F247 HydrophobicContact CB-CE2 4.46Å; P244-F247 HydrophobicContact CB-CG 4.44Å; P244-F247 HydrophobicContact CG-CB 4.04Å; P244-F247 HydrophobicContact CG-CD1 4.18Å; P244-F247 HydrophobicContact CG-CD2 3.58Å; P244-F247 HydrophobicContact CG-CE2 4.02Å; P244-F247 HydrophobicContact CG-CG 3.68Å; P244-F247 WeakPolarHBondContact O-CB 3.44Å; P244-F247 PolarHBondContact O-N 2.91Å; A245-F247 PolarHBondContact O-N 2.83Å
248	V	84.8	Confident	76.2	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	165.6	-178.4	-54.9	0	0	0	0	113.6	A199 E200 L202 F215 I221 W232 F243 A245	A199-V248 HydrophobicContact CB-CB 4.02Å; A199-V248 HydrophobicContact CB-CG2 3.95Å; E200-V248 CarbonylContact O-C 3.43Å; E200-V248 WeakPolarHBondContact O-CA 3.47Å; L202-V248 VanDerWaalsContact CD1-O 3.3Å; L202-V248 WeakPolarHBondContact CD1-O 3.27Å; F215-V248 HydrophobicContact CZ-CG1 4.21Å; I221-V248 HydrophobicContact CD1-CG1 3.94Å; W232-V248 HydrophobicContact CE3-CG2 4.13Å; W232-V248 HydrophobicContact CZ3-CG2 3.82Å; F243-V248 HydrophobicContact CD2-CG1 3.9Å; F243-V248 HydrophobicContact CE2-CB 4.38Å; F243-V248 HydrophobicContact CE2-CG1 3.59Å; F243-V248 HydrophobicContact CE2-CG2 3.84Å; A245-V248 WeakPolarHBondContact O-CG2 3.42Å; A245-V248 PolarHBondContact O-N 2.84Å
249	R	84.9	Confident	74.8	Confident	16 Å²	16	57.6 Å²	57.6	6%	0.06	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.8	165	173.2	178.9	173.9	-89.6	2.7	108.8	A199 E200 L202 E291 L372 E376	A199-R249 CarbonylContact C-O 3.58Å; A199-R249 VanDerWaalsContact CA-O 3.32Å; A199-R249 WeakPolarHBondContact CA-O 3.47Å; E200-R249 PolarHBondContact N-O 3.34Å; E200-R249 PolarHBondContact O-N 3.14Å; L202-R249 HydrophobicContact CD2-CB 4.3Å; R249-E291 IonicContact CZ-OE2 3.37Å; R249-E291 IonicContact NE-OE2 3.17Å; R249-E291 PolarHBondContact NE-OE2 3.42Å; R249-E291 IonicContact NH2-OE2 2.7Å; R249-E291 PolarHBondContact NH2-OE2 2.89Å; R249-L372 HydrophobicContact CB-CD1 3.77Å; R249-E376 IonicContact CZ-OE2 2.6Å; R249-E376 IonicContact NH1-OE2 2.81Å; R249-E376 PolarHBondContact NH1-OE2 2.85Å; R249-E376 IonicContact NH2-OE2 2.73Å; R249-E376 PolarHBondContact NH2-OE2 3.33Å
250	L	85.3	Confident	73	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	141.2	168.3	-74.7	161.5	0	0	0	110.7	I187 V197 A199 V223 W232	I187-L250 HydrophobicContact CD1-CD1 3.43Å; I187-L250 VanDerWaalsContact CD1-CD1 3.43Å; I187-L250 HydrophobicContact CG1-CD1 3.79Å; V197-L250 HydrophobicContact CG1-CD2 3.4Å; A199-L250 HydrophobicContact CB-CD2 4.18Å; V223-L250 HydrophobicContact CG2-CD2 4.25Å; W232-L250 HydrophobicContact CH2-CD1 3.82Å; W232-L250 HydrophobicContact CH2-CG 4.19Å; W232-L250 HydrophobicContact CZ3-CD1 4.24Å; W232-L250 HydrophobicContact CZ3-CD2 4.32Å; W232-L250 HydrophobicContact CZ3-CG 4.13Å
251	R	84.3	Confident	70.5	Confident	81 Å²	81	67 Å²	67	31%	0.306	36%	0.364	S	S	.	.			trans	-72.8	150	173.8	-69.5	-177.9	166	177.7	-7.7	111	C198 E200 V220 Q254	C198-R251 PolarHBondContact O-N 3.06Å; E200-R251 IonicContact OE2-CZ 3.63Å; E200-R251 IonicContact OE2-NE 2.78Å; E200-R251 PolarHBondContact OE2-NE 3.05Å; E200-R251 IonicContact OE2-NH2 3.2Å; E200-R251 PolarHBondContact OE2-NH2 3.15Å; V220-R251 VanDerWaalsContact CG2-NH2 3.25Å; R251-Q254 PolarHBondContact O-NE2 3.3Å
252	V	76.2	Confident	67.9	Low	49 Å²	49	70.3 Å²	70.3	30%	0.297	39%	0.392	S	S	.	.	S	Bend	trans	-82	-36.6	-179.3	-179.5	0	0	0	0	110.5	N287 V288 E291 E376	V252-N287 HydrophobicContact CG1-CB 3.88Å; V252-V288 HydrophobicContact CB-CG2 4.33Å; V252-V288 HydrophobicContact CG1-CG2 4.49Å; V252-E291 HydrophobicContact CG2-CB 4.05Å; V252-E291 HydrophobicContact CG2-CG 3.86Å; V252-E376 WeakPolarHBondContact CB-OE1 3.26Å; V252-E376 PolarHBondContact N-OE1 3.33Å
253	N	77.8	Confident	65.8	Low	21 Å²	21	72.3 Å²	72.3	11%	0.112	42%	0.416	C	S	.	.			trans	-109.5	118.5	173.9	-51.9	-51.2	0	0	0	108.2	N287 E376 Y380	N253-N287 PolarHBondContact OD1-ND2 3.27Å; N253-E376 PolarHBondContact N-OE1 3.47Å; N253-Y380 WeakPolarHBondContact ND2-CE2 3.17Å
254	Q	74.8	Confident	63.6	Low	46 Å²	46	80.3 Å²	80.3	22%	0.215	46%	0.458	C	S	.	.			trans	-96	-31.9	-174.5	-64.8	-65.5	-10.1	0	0	112.5	C198 R251 E256	C198-Q254 PolarHBondContact O-NE2 2.96Å; C198-Q254 VanDerWaalsContact O-NE2 3.15Å; C198-Q254 PolarHBondContact O-OE1 3.25Å; R251-Q254 PolarHBondContact O-NE2 3.3Å; Q254-E256 PolarHBondContact O-N 3.39Å; Q254-E256 VanDerWaalsContact O-N 3.09Å
255	D	58.3	Low	61.5	Low	144 Å²	144	84.8 Å²	84.8	77%	0.77	50%	0.495	S	S	*	.			trans	-81.4	82.7	-175.9	-51.9	-76.5	0	0	0	113.2
256	E	59	Low	59.4	Low	99 Å²	99	87.3 Å²	87.3	46%	0.463	52%	0.523	S	S	.	.			trans	-131	112.5	164.5	-70.4	-105	155.2	0	0	110.4	Q254 K379 Y380	Q254-E256 PolarHBondContact O-N 3.39Å; Q254-E256 VanDerWaalsContact O-N 3.09Å; E256-K379 IonicContact OE1-NZ 3.79Å; E256-K379 PolarHBondContact OE1-NZ 3.12Å; E256-K379 WeakPolarHBondContact OE2-CE 3.45Å; E256-K379 IonicContact OE2-NZ 2.79Å; E256-K379 PolarHBondContact OE2-NZ 2.88Å; E256-Y380 PolarHBondContact OE1-OH 2.89Å
257	P	39.3	Very low	57.6	Low	123 Å²	123	92.4 Å²	92.4	80%	0.799	55%	0.547	S	S	*	.			trans	-66.8	153.1	164.9	30.8	-33.9	0	0	0	110.1
258	A	45.4	Very low	55.8	Low	88 Å²	88	95 Å²	95	73%	0.727	57%	0.571	S	S	*	*	S	Bend	trans	-69.3	152.8	177	0	0	0	0	0	112.4
259	D	44.7	Very low	53.8	Low	151 Å²	151	98.7 Å²	98.7	81%	0.807	61%	0.611	S	S	*	*			trans	61.2	79.6	167.5	-55.5	-21.5	0	0	0	117.5	D261	D259-D261 VanDerWaalsContact C-N 3.33Å
260	D	42.8	Very low	51.5	Low	159 Å²	159	102.3 Å²	102.3	85%	0.85	64%	0.644	S	S	*	*			trans	-96.8	21.2	158.7	-156.3	28.2	0	0	0	111.8	A262	D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 3.3Å
261	D	39.5	Very low	49.8	Very low	161 Å²	161	110 Å²	110	86%	0.861	68%	0.679	S	S	*	*			trans	-97.7	46.6	-178.5	-143.1	-6.6	0	0	0	111.2	D259	D259-D261 VanDerWaalsContact C-N 3.33Å
262	A	33.3	Very low	48	Very low	69 Å²	69	112.6 Å²	112.6	57%	0.57	70%	0.699	S	S	*	*			trans	-112.3	113.4	-178.3	0	0	0	0	0	111	D260 L264	D260-A262 VanDerWaalsContact C-N 3.32Å; D260-A262 PolarHBondContact O-N 3.3Å; A262-L264 PolarHBondContact O-N 2.99Å
263	P	44.9	Very low	46.6	Very low	130 Å²	130	112.3 Å²	112.3	84%	0.844	71%	0.706	S	S	*	*			trans	-74.1	96	-176.2	29	-34.5	0	0	0	111.5	A265	P263-A265 PolarHBondContact O-N 3.46Å
264	L	38.8	Very low	45.3	Very low	168 Å²	168	114 Å²	114	88%	0.88	73%	0.729	S	S	*	*			trans	-66.3	94	175.2	-73.3	174.2	0	0	0	111.6	A262 G266	A262-L264 PolarHBondContact O-N 2.99Å; L264-G266 PolarHBondContact O-N 3.17Å
265	A	38.5	Very low	44.4	Very low	105 Å²	105	115.1 Å²	115.1	87%	0.868	75%	0.746	S	S	*	*			trans	-62.4	97.2	159.3	0	0	0	0	0	108.5	P263	P263-A265 PolarHBondContact O-N 3.46Å
266	G	40.6	Very low	44.2	Very low	67 Å²	67	115.6 Å²	115.6	69%	0.691	74%	0.743	S	S	*	*			trans	-80.9	170.5	-164.9	0	0	0	0	0	115	L264	L264-G266 PolarHBondContact O-N 3.17Å
267	N	37.8	Very low	44.3	Very low	155 Å²	155	113.4 Å²	113.4	83%	0.829	74%	0.742	S	S	*	*			trans	-151.2	134.1	130.6	-147.4	32.9	0	0	0	112.2
268	S	41.1	Very low	45.3	Very low	108 Å²	108	111 Å²	111	76%	0.755	72%	0.72	S	S	*	*			trans	44.5	113.1	155.5	60.6	0	0	0	0	120.9
269	G	41.4	Very low	46.4	Very low	84 Å²	84	110.6 Å²	110.6	87%	0.866	71%	0.712	S	S	*	*			trans	128.9	62.2	130.9	0	0	0	0	0	120.4
270	A	38.3	Very low	48	Very low	93 Å²	93	106.3 Å²	106.3	77%	0.769	69%	0.693	S	S	*	*			trans	-162.4	88.4	157.5	0	0	0	0	0	112.5	D272	A270-D272 PolarHBondContact O-N 3.13Å
271	E	48.7	Very low	49.7	Very low	209 Å²	209	103.6 Å²	103.6	98%	0.977	67%	0.674	S	S	*	*	S	Bend	trans	-84.7	77.1	170.6	-69.6	-171.8	130.4	0	0	110.8
272	D	45.9	Very low	51.8	Low	135 Å²	135	99.5 Å²	99.5	72%	0.722	65%	0.652	S	S	*	*	S	Bend	trans	-154.7	-52.6	168.8	-146.2	0	0	0	0	112.3	A270 G274 A275	A270-D272 PolarHBondContact O-N 3.13Å; D272-G274 PolarHBondContact O-N 2.98Å; D272-A275 PolarHBondContact O-N 3.2Å; D272-A275 VanDerWaalsContact O-N 3.14Å
273	G	47	Very low	54.4	Low	43 Å²	43	101.3 Å²	101.3	44%	0.443	65%	0.649	S	S	.	*	H	α-helix	trans	-61.5	-11.1	-171	0	0	0	0	0	117.2	A275 A277	G273-A275 VanDerWaalsContact C-N 3.33Å; G273-A277 WeakPolarHBondContact O-CB 3.2Å; G273-A277 PolarHBondContact O-N 3.31Å
274	G	52.1	Low	56.3	Low	58 Å²	58	97 Å²	97	60%	0.598	62%	0.618	S	S	*	*	H	α-helix	trans	-67.2	-31.3	174.2	0	0	0	0	0	113.6	D272 Q278	D272-G274 PolarHBondContact O-N 2.98Å; G274-Q278 WeakPolarHBondContact O-CB 3.29Å; G274-Q278 PolarHBondContact O-N 2.68Å; G274-Q278 VanDerWaalsContact O-N 3.16Å
275	A	54.2	Low	58.7	Low	69 Å²	69	90.4 Å²	90.4	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-73.8	-42.7	-179.3	0	0	0	0	0	112.1	D272 G273 Q278 S279	D272-A275 PolarHBondContact O-N 3.2Å; D272-A275 VanDerWaalsContact O-N 3.14Å; G273-A275 VanDerWaalsContact C-N 3.33Å; A275-Q278 PolarHBondContact O-N 2.61Å; A275-S279 WeakPolarHBondContact O-CB 3.4Å; A275-S279 PolarHBondContact O-N 3.1Å
276	E	55.7	Low	61.1	Low	154 Å²	154	88.3 Å²	88.3	72%	0.72	56%	0.558	S	S	*	*	H	α-helix	trans	-67.6	-42	177.8	-61.3	-166.9	134.1	0	0	111.7	Q278 S279 S280	E276-Q278 PolarHBondContact O-N 3.25Å; E276-S279 PolarHBondContact O-N 2.59Å; E276-S280 WeakPolarHBondContact O-CB 3.3Å; E276-S280 PolarHBondContact O-N 3.15Å
277	A	60	Low	63.4	Low	53 Å²	53	87.9 Å²	87.9	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176	0	0	0	0	0	112.7	G273 K281	G273-A277 WeakPolarHBondContact O-CB 3.2Å; G273-A277 PolarHBondContact O-N 3.31Å; A277-K281 WeakPolarHBondContact O-CG 3.37Å; A277-K281 PolarHBondContact O-N 2.71Å
278	Q	60.5	Low	65.6	Low	73 Å²	73	80.5 Å²	80.5	34%	0.341	50%	0.5	S	S	.	.	H	α-helix	trans	-69	-43.7	174.7	-175.8	57.6	46.9	0	0	111.6	G274 A275 E276 S280 K281 D282	G274-Q278 WeakPolarHBondContact O-CB 3.29Å; G274-Q278 PolarHBondContact O-N 2.68Å; G274-Q278 VanDerWaalsContact O-N 3.16Å; A275-Q278 PolarHBondContact O-N 2.61Å; E276-Q278 PolarHBondContact O-N 3.25Å; Q278-S280 VanDerWaalsContact C-N 3.3Å; Q278-S280 PolarHBondContact O-N 3.27Å; Q278-K281 PolarHBondContact O-N 2.94Å; Q278-K281 VanDerWaalsContact O-N 3.12Å; Q278-D282 PolarHBondContact NE2-OD1 3.47Å; Q278-D282 PolarHBondContact NE2-OD2 3.29Å; Q278-D282 PolarHBondContact O-N 3.04Å
279	S	67.9	Low	67.9	Low	78 Å²	78	77.9 Å²	77.9	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-57.1	-42.2	175.7	-173.5	0	0	0	0	112.2	A275 E276 D282 Q283	A275-S279 WeakPolarHBondContact O-CB 3.4Å; A275-S279 PolarHBondContact O-N 3.1Å; E276-S279 PolarHBondContact O-N 2.59Å; S279-D282 PolarHBondContact O-N 3.1Å; S279-Q283 PolarHBondContact O-N 3.46Å
280	S	79.1	Confident	70.1	Confident	61 Å²	61	78 Å²	78	43%	0.427	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-45.5	174	-173.5	0	0	0	0	112.3	E276 Q278 D282 Q283 M284	E276-S280 WeakPolarHBondContact O-CB 3.3Å; E276-S280 PolarHBondContact O-N 3.15Å; Q278-S280 VanDerWaalsContact C-N 3.3Å; Q278-S280 PolarHBondContact O-N 3.27Å; S280-D282 PolarHBondContact O-N 3.11Å; S280-Q283 WeakPolarHBondContact O-CB 3.22Å; S280-Q283 PolarHBondContact O-N 3.26Å; S280-M284 WeakPolarHBondContact O-CG 3.36Å; S280-M284 PolarHBondContact O-N 3.33Å
281	K	78.8	Confident	72.5	Confident	103 Å²	103	75.5 Å²	75.5	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-35.5	176.5	-72	178.9	179.6	-179.2	0	112.6	A277 Q278 M284 R285	A277-K281 WeakPolarHBondContact O-CG 3.37Å; A277-K281 PolarHBondContact O-N 2.71Å; Q278-K281 PolarHBondContact O-N 2.94Å; Q278-K281 VanDerWaalsContact O-N 3.12Å; K281-M284 PolarHBondContact O-N 3.34Å; K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.8Å
282	D	84.1	Confident	74.3	Confident	74 Å²	74	67.1 Å²	67.1	40%	0.396	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-33.7	174.4	-68.4	-24.8	0	0	0	112.1	Q278 S279 S280 T286	Q278-D282 PolarHBondContact NE2-OD1 3.47Å; Q278-D282 PolarHBondContact NE2-OD2 3.29Å; Q278-D282 PolarHBondContact O-N 3.04Å; S279-D282 PolarHBondContact O-N 3.1Å; S280-D282 PolarHBondContact O-N 3.11Å; D282-T286 WeakPolarHBondContact O-CB 3.41Å; D282-T286 PolarHBondContact O-N 2.72Å; D282-T286 PolarHBondContact O-OG1 3.41Å
283	Q	87.6	Confident	76.2	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-68	-44.7	170.1	-177.2	59.4	65.1	0	0	111.7	S279 S280 R285 T286 N287	S279-Q283 PolarHBondContact O-N 3.46Å; S280-Q283 WeakPolarHBondContact O-CB 3.22Å; S280-Q283 PolarHBondContact O-N 3.26Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; Q283-R285 PolarHBondContact O-N 3.15Å; Q283-T286 CarbonylContact O-C 3.58Å; Q283-T286 WeakPolarHBondContact O-CA 2.81Å; Q283-T286 WeakPolarHBondContact O-CB 3.36Å; Q283-T286 PolarHBondContact O-N 3.35Å; Q283-N287 PolarHBondContact NE2-OD1 3.29Å; Q283-N287 VanDerWaalsContact O-CG 3.26Å; Q283-N287 PolarHBondContact O-N 3.41Å; Q283-N287 PolarHBondContact O-OD1 3.47Å; Q283-N287 VanDerWaalsContact O-OD1 3.12Å
284	M	84.9	Confident	78	Confident	41 Å²	41	64.8 Å²	64.8	20%	0.202	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-42.2	174	-71.7	172.6	176.4	0	0	111.9	S280 K281 T286 N287 V288 Y380	S280-M284 WeakPolarHBondContact O-CG 3.36Å; S280-M284 PolarHBondContact O-N 3.33Å; K281-M284 PolarHBondContact O-N 3.34Å; M284-T286 VanDerWaalsContact C-N 3.32Å; M284-T286 PolarHBondContact O-N 2.84Å; M284-N287 WeakPolarHBondContact O-CB 3.33Å; M284-N287 PolarHBondContact O-N 3.23Å; M284-V288 WeakPolarHBondContact O-CG2 3.37Å; M284-V288 PolarHBondContact O-N 2.87Å; M284-Y380 HydrophobicContact CB-CD1 3.66Å; M284-Y380 HydrophobicContact CB-CD2 4.32Å; M284-Y380 HydrophobicContact CB-CE1 3.97Å; M284-Y380 HydrophobicContact CB-CG 3.88Å; M284-Y380 HydrophobicContact CG-CD1 4.39Å; M284-Y380 HydrophobicContact CG-CE1 4.26Å; M284-Y380 HydrophobicContact SD-CD1 3.86Å; M284-Y380 HydrophobicContact SD-CE1 3.35Å; M284-Y380 WeakPolarHBondContact SD-CE1 3.49Å
285	R	87.8	Confident	79.5	Confident	29 Å²	29	64.3 Å²	64.3	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-42	172.2	-165	-172.9	-177.4	-109.2	-8.2	111.8	K281 Q283 V288 I289 L377 Y380 T381 H385 D387	K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.8Å; Q283-R285 VanDerWaalsContact C-N 3.32Å; Q283-R285 PolarHBondContact O-N 3.15Å; R285-V288 PolarHBondContact O-N 2.69Å; R285-I289 HydrophobicContact CG-CD1 4.17Å; R285-I289 WeakPolarHBondContact O-CG1 3.36Å; R285-I289 PolarHBondContact O-N 2.98Å; R285-L377 HydrophobicContact CG-CD1 3.94Å; R285-Y380 WeakPolarHBondContact CB-O 3.47Å; R285-Y380 WeakPolarHBondContact CD-O 3.31Å; R285-Y380 WeakPolarHBondContact CG-O 3.43Å; R285-T381 PolarHBondContact NE-OG1 3.29Å; R285-H385 PolarHBondContact NH1-CE1 2.9Å; R285-H385 PolarHBondContact NH2-CE1 3.44Å; R285-D387 IonicContact CZ-OD2 2.69Å; R285-D387 IonicContact NH1-OD2 3.32Å; R285-D387 IonicContact NH2-OD2 2.67Å; R285-D387 PolarHBondContact NH2-OD2 2.89Å
286	T	89.4	Confident	80.9	Confident	61 Å²	61	63.1 Å²	63.1	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-37.1	178.2	-60.5	0	0	0	0	112	D282 Q283 M284 I289 N290	D282-T286 WeakPolarHBondContact O-CB 3.41Å; D282-T286 PolarHBondContact O-N 2.72Å; D282-T286 PolarHBondContact O-OG1 3.41Å; Q283-T286 CarbonylContact O-C 3.58Å; Q283-T286 WeakPolarHBondContact O-CA 2.81Å; Q283-T286 WeakPolarHBondContact O-CB 3.36Å; Q283-T286 PolarHBondContact O-N 3.35Å; M284-T286 VanDerWaalsContact C-N 3.32Å; M284-T286 PolarHBondContact O-N 2.84Å; T286-I289 PolarHBondContact O-N 3.34Å; T286-N290 WeakPolarHBondContact O-CB 3.29Å; T286-N290 PolarHBondContact O-N 2.91Å; T286-N290 PolarHBondContact O-ND2 3.11Å; T286-N290 VanDerWaalsContact O-ND2 3.11Å
287	N	88.3	Confident	82.1	Confident	58 Å²	58	62.5 Å²	62.5	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-49.2	173.8	-61.5	-10.2	0	0	0	111.1	V252 N253 Q283 M284 I289 N290 E291	V252-N287 HydrophobicContact CG1-CB 3.88Å; N253-N287 PolarHBondContact OD1-ND2 3.27Å; Q283-N287 PolarHBondContact NE2-OD1 3.29Å; Q283-N287 VanDerWaalsContact O-CG 3.26Å; Q283-N287 PolarHBondContact O-N 3.41Å; Q283-N287 PolarHBondContact O-OD1 3.47Å; Q283-N287 VanDerWaalsContact O-OD1 3.12Å; M284-N287 WeakPolarHBondContact O-CB 3.33Å; M284-N287 PolarHBondContact O-N 3.23Å; N287-I289 PolarHBondContact O-N 3.2Å; N287-N290 PolarHBondContact O-N 3.41Å; N287-E291 PolarHBondContact O-N 3.4Å
288	V	85.6	Confident	82.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-41.5	179	179.3	0	0	0	0	111.8	V252 M284 R285 N290 E291 I292 E376 L377 Y380	V252-V288 HydrophobicContact CB-CG2 4.33Å; V252-V288 HydrophobicContact CG1-CG2 4.49Å; M284-V288 WeakPolarHBondContact O-CG2 3.37Å; M284-V288 PolarHBondContact O-N 2.87Å; R285-V288 PolarHBondContact O-N 2.69Å; V288-N290 VanDerWaalsContact C-N 3.31Å; V288-N290 PolarHBondContact O-N 3.09Å; V288-E291 PolarHBondContact O-N 2.89Å; V288-I292 HydrophobicContact CG1-CD1 3.89Å; V288-I292 HydrophobicContact CG1-CG1 4.47Å; V288-I292 WeakPolarHBondContact O-CG1 3.34Å; V288-I292 PolarHBondContact O-N 3.1Å; V288-E376 HydrophobicContact CG1-CB 4.42Å; V288-E376 HydrophobicContact CG2-CB 4.45Å; V288-E376 HydrophobicContact CG2-CG 3.82Å; V288-L377 HydrophobicContact CG1-CB 3.92Å; V288-L377 HydrophobicContact CG1-CD1 4.37Å; V288-Y380 HydrophobicContact CG2-CD2 4.49Å
289	I	88.1	Confident	83.5	Confident	53 Å²	53	60.3 Å²	60.3	27%	0.272	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-41.7	175.1	-70.4	167.2	0	0	0	111.1	R285 T286 N287 L293 L377	R285-I289 HydrophobicContact CG-CD1 4.17Å; R285-I289 WeakPolarHBondContact O-CG1 3.36Å; R285-I289 PolarHBondContact O-N 2.98Å; T286-I289 PolarHBondContact O-N 3.34Å; N287-I289 PolarHBondContact O-N 3.2Å; I289-L293 HydrophobicContact CG2-CD1 3.8Å; I289-L293 HydrophobicContact CG2-CG 4.4Å; I289-L293 WeakPolarHBondContact O-CB 3.27Å; I289-L293 VanDerWaalsContact O-CG 3.23Å; I289-L293 WeakPolarHBondContact O-CG 3.02Å; I289-L293 PolarHBondContact O-N 2.95Å; I289-L377 HydrophobicContact CD1-CD1 4.22Å; I289-L377 HydrophobicContact CG1-CD1 3.71Å
290	N	88.4	Confident	83.9	Confident	86 Å²	86	59.9 Å²	59.9	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-37.1	178	-75.8	-39.9	0	0	0	112.9	T286 N287 V288 S294	T286-N290 WeakPolarHBondContact O-CB 3.29Å; T286-N290 PolarHBondContact O-N 2.91Å; T286-N290 PolarHBondContact O-ND2 3.11Å; T286-N290 VanDerWaalsContact O-ND2 3.11Å; N287-N290 PolarHBondContact O-N 3.41Å; V288-N290 VanDerWaalsContact C-N 3.31Å; V288-N290 PolarHBondContact O-N 3.09Å; N290-S294 PolarHBondContact O-N 3.48Å
291	E	89.1	Confident	83.5	Confident	41 Å²	41	63.3 Å²	63.3	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-56.5	172.5	-171.8	-82.9	101.3	0	0	110.5	R249 V252 N287 V288 L293 S294 T295 Q373	R249-E291 IonicContact CZ-OE2 3.37Å; R249-E291 IonicContact NE-OE2 3.17Å; R249-E291 PolarHBondContact NE-OE2 3.42Å; R249-E291 IonicContact NH2-OE2 2.7Å; R249-E291 PolarHBondContact NH2-OE2 2.89Å; V252-E291 HydrophobicContact CG2-CB 4.05Å; V252-E291 HydrophobicContact CG2-CG 3.86Å; N287-E291 PolarHBondContact O-N 3.4Å; V288-E291 PolarHBondContact O-N 2.89Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.99Å; E291-S294 PolarHBondContact O-N 3.38Å; E291-T295 PolarHBondContact O-N 2.86Å; E291-T295 PolarHBondContact O-OG1 2.85Å; E291-T295 WeakPolarHBondContact OE1-CB 2.99Å; E291-T295 WeakPolarHBondContact OE1-CG2 3.39Å; E291-T295 PolarHBondContact OE1-OG1 3Å; E291-Q373 PolarHBondContact OE1-NE2 3.17Å; E291-Q373 WeakPolarHBondContact OE2-CG 3.47Å; E291-Q373 PolarHBondContact OE2-NE2 2.85Å
292	I	86.4	Confident	82.8	Confident	33 Å²	33	61.3 Å²	61.3	17%	0.169	30%	0.304	C	S	.	.	H	α-helix	trans	-54.1	-47.9	178.6	-67.3	168	0	0	0	110.7	V288 S294 E296 Q373 L377	V288-I292 HydrophobicContact CG1-CD1 3.89Å; V288-I292 HydrophobicContact CG1-CG1 4.47Å; V288-I292 WeakPolarHBondContact O-CG1 3.34Å; V288-I292 PolarHBondContact O-N 3.1Å; I292-S294 VanDerWaalsContact C-N 3.29Å; I292-S294 PolarHBondContact O-N 2.82Å; I292-E296 WeakPolarHBondContact O-CB 3.26Å; I292-E296 WeakPolarHBondContact O-CG 3.5Å; I292-E296 PolarHBondContact O-N 3.3Å; I292-Q373 HydrophobicContact CD1-CB 4.04Å; I292-Q373 HydrophobicContact CG1-CB 3.9Å; I292-Q373 HydrophobicContact CG1-CG 4.19Å; I292-L377 HydrophobicContact CD1-CB 4.47Å; I292-L377 HydrophobicContact CD1-CD2 4.24Å
293	L	85.4	Confident	81.8	Confident	87 Å²	87	60 Å²	60	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-66.5	-28.4	179.8	-72.9	174.4	0	0	0	113	I289 E291 R297	I289-L293 HydrophobicContact CG2-CD1 3.8Å; I289-L293 HydrophobicContact CG2-CG 4.4Å; I289-L293 WeakPolarHBondContact O-CB 3.27Å; I289-L293 VanDerWaalsContact O-CG 3.23Å; I289-L293 WeakPolarHBondContact O-CG 3.02Å; I289-L293 PolarHBondContact O-N 2.95Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.99Å; L293-R297 VanDerWaalsContact O-CG 3.31Å; L293-R297 WeakPolarHBondContact O-CG 3.44Å; L293-R297 PolarHBondContact O-N 3.17Å; L293-R297 PolarHBondContact O-NE 3.24Å; L293-R297 PolarHBondContact O-NH1 3.05Å
294	S	84.6	Confident	80.2	Confident	41 Å²	41	64.2 Å²	64.2	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-79	-51.2	173.1	-145.6	0	0	0	0	111.8	N290 E291 I292 E296 R297 D298	N290-S294 PolarHBondContact O-N 3.48Å; E291-S294 PolarHBondContact O-N 3.38Å; I292-S294 VanDerWaalsContact C-N 3.29Å; I292-S294 PolarHBondContact O-N 2.82Å; S294-E296 CarbonylContact O-C 3.48Å; S294-E296 PolarHBondContact O-N 3.15Å; S294-E296 VanDerWaalsContact O-N 3.1Å; S294-R297 CarbonylContact O-C 3.56Å; S294-R297 WeakPolarHBondContact O-CA 3.21Å; S294-R297 WeakPolarHBondContact O-CB 3.36Å; S294-R297 PolarHBondContact O-N 3.45Å; S294-R297 PolarHBondContact OG-NH2 2.77Å; S294-D298 PolarHBondContact O-N 3.39Å; S294-D298 PolarHBondContact OG-OD2 3.36Å; S294-D298 VanDerWaalsContact OG-OD2 3.12Å
295	T	83.3	Confident	78.6	Confident	49 Å²	49	67 Å²	67	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-13.3	-179.8	64.9	0	0	0	0	113	E291 Y299 K366 Q373	E291-T295 PolarHBondContact O-N 2.86Å; E291-T295 PolarHBondContact O-OG1 2.85Å; E291-T295 WeakPolarHBondContact OE1-CB 2.99Å; E291-T295 WeakPolarHBondContact OE1-CG2 3.39Å; E291-T295 PolarHBondContact OE1-OG1 3Å; T295-Y299 WeakPolarHBondContact O-CB 3.42Å; T295-Y299 PolarHBondContact O-N 2.87Å; T295-K366 VanDerWaalsContact C-NZ 3.27Å; T295-K366 PolarHBondContact O-NZ 3.5Å; T295-K366 PolarHBondContact OG1-NZ 3Å; T295-Q373 PolarHBondContact OG1-NE2 3.26Å
296	E	83.6	Confident	76.9	Confident	43 Å²	43	70 Å²	70	20%	0.201	34%	0.341	C	S	.	.	H	α-helix	trans	-74.6	-47.9	159.3	-80.8	-49.9	121.1	0	0	113.3	I292 S294 D298 Y299 I300 K366 Y370	I292-E296 WeakPolarHBondContact O-CB 3.26Å; I292-E296 WeakPolarHBondContact O-CG 3.5Å; I292-E296 PolarHBondContact O-N 3.3Å; S294-E296 CarbonylContact O-C 3.48Å; S294-E296 PolarHBondContact O-N 3.15Å; S294-E296 VanDerWaalsContact O-N 3.1Å; E296-D298 VanDerWaalsContact C-N 3.32Å; E296-D298 PolarHBondContact O-N 3.28Å; E296-Y299 PolarHBondContact O-N 2.94Å; E296-I300 WeakPolarHBondContact O-CB 3.23Å; E296-I300 VanDerWaalsContact O-CG1 3.22Å; E296-I300 WeakPolarHBondContact O-CG1 3.25Å; E296-I300 PolarHBondContact O-N 2.73Å; E296-K366 WeakPolarHBondContact OE1-CE 3.45Å; E296-K366 IonicContact OE1-NZ 3.59Å; E296-K366 PolarHBondContact OE1-NZ 3.44Å; E296-Y370 WeakPolarHBondContact OE1-CE1 3.37Å; E296-Y370 VanDerWaalsContact OE1-CZ 3.27Å; E296-Y370 PolarHBondContact OE1-OH 3.26Å
297	R	81.1	Confident	74.3	Confident	141 Å²	141	72.5 Å²	72.5	53%	0.532	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-42.9	177.5	-74.3	179.2	-58.9	-105.1	1.6	112	L293 S294 K301	L293-R297 VanDerWaalsContact O-CG 3.31Å; L293-R297 WeakPolarHBondContact O-CG 3.44Å; L293-R297 PolarHBondContact O-N 3.17Å; L293-R297 PolarHBondContact O-NE 3.24Å; L293-R297 PolarHBondContact O-NH1 3.05Å; S294-R297 CarbonylContact O-C 3.56Å; S294-R297 WeakPolarHBondContact O-CA 3.21Å; S294-R297 WeakPolarHBondContact O-CB 3.36Å; S294-R297 PolarHBondContact O-N 3.45Å; S294-R297 PolarHBondContact OG-NH2 2.77Å; R297-K301 WeakPolarHBondContact O-CB 3.21Å; R297-K301 PolarHBondContact O-N 3.21Å
298	D	75.4	Confident	72.1	Confident	67 Å²	67	78 Å²	78	36%	0.358	38%	0.383	S	S	.	.	H	α-helix	trans	-72.8	-38.6	-178.8	-64.4	-55.1	0	0	0	111.4	S294 E296 K301 H302	S294-D298 PolarHBondContact O-N 3.39Å; S294-D298 PolarHBondContact OG-OD2 3.36Å; S294-D298 VanDerWaalsContact OG-OD2 3.12Å; E296-D298 VanDerWaalsContact C-N 3.32Å; E296-D298 PolarHBondContact O-N 3.28Å; D298-K301 WeakPolarHBondContact O-CB 3.42Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-H302 PolarHBondContact O-CD2 3.19Å; D298-H302 PolarHBondContact O-N 2.93Å; D298-H302 VanDerWaalsContact O-N 3.11Å
299	Y	75.3	Confident	70	Confident	14 Å²	14	86.4 Å²	86.4	6%	0.055	42%	0.423	C	S	.	.	H	α-helix	trans	-68.3	-43.6	172.5	179.1	-113.3	0	0	0	113	T295 E296 K301 H302 L303 Y315 P363 K366	T295-Y299 WeakPolarHBondContact O-CB 3.42Å; T295-Y299 PolarHBondContact O-N 2.87Å; E296-Y299 PolarHBondContact O-N 2.94Å; Y299-K301 PolarHBondContact O-N 3.32Å; Y299-H302 CarbonylContact O-C 3.53Å; Y299-H302 WeakPolarHBondContact O-CA 3.46Å; Y299-H302 WeakPolarHBondContact O-CB 3.32Å; Y299-H302 PolarHBondContact O-N 3.17Å; Y299-L303 HydrophobicContact CD1-CD1 4.08Å; Y299-L303 HydrophobicContact CD1-CG 4.31Å; Y299-L303 HydrophobicContact CD2-CG 4.48Å; Y299-L303 HydrophobicContact CE1-CD1 3.31Å; Y299-L303 HydrophobicContact CE1-CG 3.81Å; Y299-L303 HydrophobicContact CE2-CD1 4.32Å; Y299-L303 HydrophobicContact CE2-CD2 4.2Å; Y299-L303 HydrophobicContact CE2-CG 3.97Å; Y299-L303 VanDerWaalsContact CZ-CD1 3.46Å; Y299-L303 PolarHBondContact O-N 3.07Å; Y299-Y315 VanDerWaalsContact CE1-OH 3.3Å; Y299-Y315 WeakPolarHBondContact CE1-OH 3.41Å; Y299-Y315 WeakPolarHBondContact OH-CE1 3.33Å; Y299-Y315 PolarHBondContact OH-OH 3.43Å; Y299-P363 HydrophobicContact CE2-CG 4.49Å; Y299-P363 WeakPolarHBondContact OH-CA 3.32Å; Y299-P363 WeakPolarHBondContact OH-CB 3.19Å; Y299-K366 HydrophobicContact CD1-CD 4.1Å; Y299-K366 HydrophobicContact CD1-CG 3.7Å; Y299-K366 HydrophobicContact CD2-CB 3.94Å; Y299-K366 HydrophobicContact CD2-CD 4.19Å; Y299-K366 HydrophobicContact CD2-CG 3.86Å; Y299-K366 HydrophobicContact CE1-CB 4.27Å; Y299-K366 HydrophobicContact CE1-CG 3.67Å; Y299-K366 HydrophobicContact CE2-CB 3.64Å; Y299-K366 HydrophobicContact CE2-CG 3.86Å; Y299-K366 HydrophobicContact CG-CB 4.38Å; Y299-K366 HydrophobicContact CG-CD 3.88Å; Y299-K366 HydrophobicContact CG-CG 3.78Å
300	I	75.6	Confident	68.1	Low	69 Å²	69	87.5 Å²	87.5	35%	0.354	44%	0.44	S	S	.	.	H	α-helix	trans	-64.6	-31.6	173.9	-70.6	169.6	0	0	0	110.7	E296 H302 L303 R304	E296-I300 WeakPolarHBondContact O-CB 3.23Å; E296-I300 VanDerWaalsContact O-CG1 3.22Å; E296-I300 WeakPolarHBondContact O-CG1 3.25Å; E296-I300 PolarHBondContact O-N 2.73Å; I300-H302 VanDerWaalsContact C-N 3.32Å; I300-L303 PolarHBondContact O-N 2.76Å; I300-R304 WeakPolarHBondContact O-CB 3.2Å; I300-R304 PolarHBondContact O-N 2.87Å
301	K	71.1	Confident	67	Low	133 Å²	133	89.5 Å²	89.5	58%	0.578	45%	0.451	S	S	*	.	H	α-helix	trans	-64.7	-35	171.4	174.1	-171.4	170.9	-161.2	0	111.7	R297 D298 Y299	R297-K301 WeakPolarHBondContact O-CB 3.21Å; R297-K301 PolarHBondContact O-N 3.21Å; D298-K301 WeakPolarHBondContact O-CB 3.42Å; D298-K301 PolarHBondContact O-N 3.43Å; Y299-K301 PolarHBondContact O-N 3.32Å
302	H	64.4	Low	66	Low	61 Å²	61	91.6 Å²	91.6	28%	0.282	46%	0.459	S	S	.	.	H	α-helix	trans	-75.6	-38.7	172.1	-58.4	165.4	0	0	0	112.8	D298 Y299 I300	D298-H302 PolarHBondContact O-CD2 3.19Å; D298-H302 PolarHBondContact O-N 2.93Å; D298-H302 VanDerWaalsContact O-N 3.11Å; Y299-H302 CarbonylContact O-C 3.53Å; Y299-H302 WeakPolarHBondContact O-CA 3.46Å; Y299-H302 WeakPolarHBondContact O-CB 3.32Å; Y299-H302 PolarHBondContact O-N 3.17Å; I300-H302 VanDerWaalsContact C-N 3.32Å
303	L	63.3	Low	65	Low	45 Å²	45	98 Å²	98	24%	0.236	49%	0.488	C	S	.	.	H	α-helix	trans	-76.3	-25.7	179.7	-77.5	-165.2	0	0	0	115.1	Y299 I300 D305 I306 C307 P363	Y299-L303 HydrophobicContact CD1-CD1 4.08Å; Y299-L303 HydrophobicContact CD1-CG 4.31Å; Y299-L303 HydrophobicContact CD2-CG 4.48Å; Y299-L303 HydrophobicContact CE1-CD1 3.31Å; Y299-L303 HydrophobicContact CE1-CG 3.81Å; Y299-L303 HydrophobicContact CE2-CD1 4.32Å; Y299-L303 HydrophobicContact CE2-CD2 4.2Å; Y299-L303 HydrophobicContact CE2-CG 3.97Å; Y299-L303 VanDerWaalsContact CZ-CD1 3.46Å; Y299-L303 PolarHBondContact O-N 3.07Å; I300-L303 PolarHBondContact O-N 2.76Å; L303-D305 PolarHBondContact O-N 2.74Å; L303-D305 VanDerWaalsContact O-N 3.15Å; L303-I306 WeakPolarHBondContact O-CA 3.2Å; L303-I306 WeakPolarHBondContact O-CB 3.18Å; L303-I306 PolarHBondContact O-N 2.93Å; L303-C307 PolarHBondContact O-N 2.9Å; L303-P363 HydrophobicContact CD2-CG 4.26Å
304	R	54	Low	64.5	Low	196 Å²	196	98.1 Å²	98.1	74%	0.74	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.9	-177	-174.3	176.8	-56.7	-132.2	-1.7	113.2	I300	I300-R304 WeakPolarHBondContact O-CB 3.2Å; I300-R304 PolarHBondContact O-N 2.87Å
305	D	51.3	Low	64.2	Low	99 Å²	99	97.1 Å²	97.1	53%	0.529	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.6	172.7	-67.9	-15.7	0	0	0	113	L303 Q349	L303-D305 PolarHBondContact O-N 2.74Å; L303-D305 VanDerWaalsContact O-N 3.15Å; D305-Q349 VanDerWaalsContact CG-NE2 3.25Å; D305-Q349 PolarHBondContact OD1-NE2 2.88Å; D305-Q349 PolarHBondContact OD2-NE2 3.28Å
306	I	50.3	Low	63.7	Low	94 Å²	94	95.2 Å²	95.2	48%	0.482	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-60.2	-169.4	-58.4	-178.1	0	0	0	113.3	L303	L303-I306 WeakPolarHBondContact O-CA 3.2Å; L303-I306 WeakPolarHBondContact O-CB 3.18Å; L303-I306 PolarHBondContact O-N 2.93Å
307	C	35.3	Very low	63.3	Low	113 Å²	113	100.5 Å²	100.5	76%	0.764	49%	0.492	S	S	*	.			trans	-166.3	169.9	177.4	-136.8	0	0	0	0	115.5	L303	L303-C307 PolarHBondContact O-N 2.9Å
308	E	43.5	Very low	63.3	Low	172 Å²	172	97 Å²	97	80%	0.804	48%	0.479	S	S	*	.			trans	-110.6	166	175	-69.9	-169.7	148	0	0	113.5
309	Q	40.4	Very low	63.5	Low	177 Å²	177	94.6 Å²	94.6	83%	0.827	47%	0.467	S	S	*	.			trans	85.3	167.7	170.9	-52.7	-163.9	1.8	0	0	116.7
310	A	48.4	Very low	63.4	Low	76 Å²	76	95.5 Å²	95.5	63%	0.628	47%	0.473	S	S	*	.			trans	-114.7	-171.9	-140	0	0	0	0	0	114.8
311	D	64.3	Low	63.6	Low	129 Å²	129	96.5 Å²	96.5	69%	0.69	48%	0.479	S	S	*	.			trans	68.4	126.1	-175.1	-57	-28.4	0	0	0	115.5	Q313 I314	D311-Q313 PolarHBondContact O-N 3.13Å; D311-I314 WeakPolarHBondContact O-CG1 3.17Å; D311-I314 PolarHBondContact O-N 3.3Å
312	F	69.3	Low	64.1	Low	85 Å²	85	91.5 Å²	91.5	37%	0.373	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.7	-177.1	-70.3	-68.8	0	0	0	114.4	I314 Y315 I367 Y370 M398 V401	F312-I314 PolarHBondContact O-N 2.97Å; F312-Y315 HydrophobicContact CD1-CD2 4.14Å; F312-Y315 AromaticContact CD1-CE2 3.9Å; F312-Y315 HydrophobicContact CD1-CE2 3.9Å; F312-Y315 WeakPolarHBondContact O-CB 3.38Å; F312-Y315 WeakPolarHBondContact O-CD2 3.29Å; F312-Y315 PolarHBondContact O-N 3.37Å; F312-I367 HydrophobicContact CB-CD1 4.34Å; F312-I367 HydrophobicContact CD1-CD1 3.52Å; F312-I367 HydrophobicContact CE1-CD1 4.15Å; F312-I367 HydrophobicContact CG-CD1 4.23Å; F312-Y370 HydrophobicContact CE1-CD2 4.29Å; F312-Y370 AromaticContact CE1-CE2 3.73Å; F312-Y370 HydrophobicContact CE1-CE2 3.73Å; F312-Y370 HydrophobicContact CZ-CE2 4.37Å; F312-M398 HydrophobicContact CD1-CE 3.87Å; F312-M398 HydrophobicContact CD2-CE 3.98Å; F312-M398 HydrophobicContact CD2-SD 3.77Å; F312-M398 HydrophobicContact CE1-CE 3.8Å; F312-M398 HydrophobicContact CE2-CE 3.92Å; F312-M398 HydrophobicContact CE2-SD 3.7Å; F312-M398 HydrophobicContact CG-CE 3.96Å; F312-M398 HydrophobicContact CG-SD 4.29Å; F312-M398 HydrophobicContact CZ-CE 3.82Å; F312-M398 HydrophobicContact CZ-SD 4.17Å; F312-V401 HydrophobicContact CB-CG1 4.38Å; F312-V401 HydrophobicContact CB-CG2 4.5Å
313	Q	64.1	Low	64.5	Low	167 Å²	167	91.6 Å²	91.6	78%	0.78	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.9	175.6	-60.6	-171.3	8.7	0	0	112.7	D311 Y315 S316	D311-Q313 PolarHBondContact O-N 3.13Å; Q313-Y315 PolarHBondContact O-N 3.09Å; Q313-S316 WeakPolarHBondContact O-CB 3.36Å; Q313-S316 PolarHBondContact O-N 2.89Å
314	I	76.8	Confident	65.2	Low	89 Å²	89	93.7 Å²	93.7	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-26.7	178.2	71	-173.8	0	0	0	112.9	D311 F312 S316 E317 Y318	D311-I314 WeakPolarHBondContact O-CG1 3.17Å; D311-I314 PolarHBondContact O-N 3.3Å; F312-I314 PolarHBondContact O-N 2.97Å; I314-S316 PolarHBondContact O-N 2.9Å; I314-E317 PolarHBondContact O-N 3.33Å; I314-Y318 PolarHBondContact O-N 3.44Å; I314-Y318 VanDerWaalsContact O-N 3.11Å
315	Y	78.4	Confident	66.7	Low	21 Å²	21	85.7 Å²	85.7	8%	0.082	45%	0.451	C	S	.	.	H	α-helix	trans	-66.4	-26.4	175.4	-72.5	-101.6	0	0	0	112.1	Y299 F312 Q313 Y318 C319 P363 I367	Y299-Y315 VanDerWaalsContact CE1-OH 3.3Å; Y299-Y315 WeakPolarHBondContact CE1-OH 3.41Å; Y299-Y315 WeakPolarHBondContact OH-CE1 3.33Å; Y299-Y315 PolarHBondContact OH-OH 3.43Å; F312-Y315 HydrophobicContact CD1-CD2 4.14Å; F312-Y315 AromaticContact CD1-CE2 3.9Å; F312-Y315 HydrophobicContact CD1-CE2 3.9Å; F312-Y315 WeakPolarHBondContact O-CB 3.38Å; F312-Y315 WeakPolarHBondContact O-CD2 3.29Å; F312-Y315 PolarHBondContact O-N 3.37Å; Q313-Y315 PolarHBondContact O-N 3.09Å; Y315-Y318 PolarHBondContact O-N 2.99Å; Y315-C319 VanDerWaalsContact O-CB 3.29Å; Y315-C319 WeakPolarHBondContact O-CB 3.23Å; Y315-C319 PolarHBondContact O-N 3.37Å; Y315-C319 PolarHBondContact O-SG 3.17Å; Y315-P363 HydrophobicContact CD1-CB 4.23Å; Y315-P363 HydrophobicContact CE1-CB 3.91Å; Y315-I367 HydrophobicContact CD1-CB 3.63Å; Y315-I367 HydrophobicContact CD1-CD1 4.05Å; Y315-I367 HydrophobicContact CD1-CG1 3.96Å; Y315-I367 HydrophobicContact CD1-CG2 4.21Å; Y315-I367 HydrophobicContact CD2-CD1 4.03Å; Y315-I367 HydrophobicContact CE1-CB 4.11Å; Y315-I367 HydrophobicContact CE1-CD1 4.38Å; Y315-I367 HydrophobicContact CE2-CD1 4.39Å; Y315-I367 HydrophobicContact CG-CB 4.16Å; Y315-I367 HydrophobicContact CG-CD1 3.85Å; Y315-I367 HydrophobicContact CG-CG1 3.94Å
316	S	72	Confident	68	Low	8 Å²	8	82.7 Å²	82.7	6%	0.056	44%	0.437	C	S	.	.	H	α-helix	trans	-64.4	-48.1	175.8	-157.3	0	0	0	0	110.5	Q313 I314 N320 R408	Q313-S316 WeakPolarHBondContact O-CB 3.36Å; Q313-S316 PolarHBondContact O-N 2.89Å; I314-S316 PolarHBondContact O-N 2.9Å; S316-N320 PolarHBondContact O-N 2.95Å; S316-N320 VanDerWaalsContact O-N 3.13Å; S316-N320 PolarHBondContact O-ND2 2.66Å; S316-N320 PolarHBondContact O-OD1 3.23Å; S316-R408 WeakPolarHBondContact OG-CD 3.49Å; S316-R408 PolarHBondContact OG-NH1 2.76Å
317	E	75.6	Confident	69.4	Low	154 Å²	154	83.3 Å²	83.3	72%	0.72	45%	0.445	S	S	*	.	H	α-helix	trans	-61.7	-46.4	174.7	-172.3	-179.7	159.8	0	0	111.6	I314 C319 N320 N321	I314-E317 PolarHBondContact O-N 3.33Å; E317-C319 PolarHBondContact O-N 3.47Å; E317-N320 PolarHBondContact O-N 2.97Å; E317-N321 PolarHBondContact O-N 3.24Å; E317-N321 VanDerWaalsContact O-N 3.15Å
318	Y	81.4	Confident	71.9	Confident	69 Å²	69	81.8 Å²	81.8	27%	0.271	43%	0.427	S	S	.	.	H	α-helix	trans	-57.8	-50.4	179.8	-168.9	-86.4	0	0	0	112.3	I314 Y315 N320 N321 H322 L360 P363 V364	I314-Y318 PolarHBondContact O-N 3.44Å; I314-Y318 VanDerWaalsContact O-N 3.11Å; Y315-Y318 PolarHBondContact O-N 2.99Å; Y318-N320 VanDerWaalsContact C-N 3.33Å; Y318-N320 PolarHBondContact O-N 2.77Å; Y318-N321 PolarHBondContact O-N 3.3Å; Y318-H322 WeakPolarHBondContact O-CB 3.49Å; Y318-H322 PolarHBondContact O-N 3.3Å; Y318-L360 WeakPolarHBondContact CE1-O 3.36Å; Y318-L360 WeakPolarHBondContact OH-CA 3.43Å; Y318-L360 VanDerWaalsContact OH-CD2 3.31Å; Y318-L360 WeakPolarHBondContact OH-CD2 3.41Å; Y318-L360 PolarHBondContact OH-O 2.95Å; Y318-P363 HydrophobicContact CD1-CB 3.94Å; Y318-P363 HydrophobicContact CD1-CG 4.32Å; Y318-P363 HydrophobicContact CE1-CB 3.74Å; Y318-P363 HydrophobicContact CE1-CG 3.66Å; Y318-P363 HydrophobicContact CE2-CG 4.4Å; Y318-V364 HydrophobicContact CD1-CG2 4.11Å; Y318-V364 HydrophobicContact CE1-CG2 4.04Å
319	C	78.1	Confident	74.1	Confident	16 Å²	16	74.3 Å²	74.3	11%	0.108	39%	0.393	C	S	.	.	H	α-helix	trans	-66.6	-32	-179	-64.2	0	0	0	0	112.7	Y315 E317 N321 P323 I405	Y315-C319 VanDerWaalsContact O-CB 3.29Å; Y315-C319 WeakPolarHBondContact O-CB 3.23Å; Y315-C319 PolarHBondContact O-N 3.37Å; Y315-C319 PolarHBondContact O-SG 3.17Å; E317-C319 PolarHBondContact O-N 3.47Å; C319-N321 VanDerWaalsContact C-N 3.34Å; C319-P323 VanDerWaalsContact O-CD 3.29Å; C319-P323 WeakPolarHBondContact O-CD 3.46Å; C319-I405 HydrophobicContact CB-CG2 3.62Å
320	N	73.5	Confident	76.3	Confident	32 Å²	32	69 Å²	69	17%	0.171	38%	0.375	C	S	.	.	H	α-helix	trans	-66.1	-36.6	173.9	-64.1	-30.5	0	0	0	112.8	S316 E317 Y318 R408 L412	S316-N320 PolarHBondContact O-N 2.95Å; S316-N320 VanDerWaalsContact O-N 3.13Å; S316-N320 PolarHBondContact O-ND2 2.66Å; S316-N320 PolarHBondContact O-OD1 3.23Å; E317-N320 PolarHBondContact O-N 2.97Å; Y318-N320 VanDerWaalsContact C-N 3.33Å; Y318-N320 PolarHBondContact O-N 2.77Å; N320-R408 VanDerWaalsContact ND2-CD 3.32Å; N320-R408 WeakPolarHBondContact ND2-CD 3.36Å; N320-R408 PolarHBondContact ND2-NE 3.28Å; N320-R408 WeakPolarHBondContact OD1-CD 3.29Å; N320-R408 WeakPolarHBondContact OD1-CG 3.46Å; N320-L412 HydrophobicContact CB-CD1 4.17Å
321	N	80.7	Confident	78.4	Confident	90 Å²	90	71.2 Å²	71.2	48%	0.481	37%	0.367	S	S	.	.	H	α-helix	trans	-91.5	-18.1	-175.4	-164.8	46.9	0	0	0	113.1	E317 Y318 C319 N324 A325	E317-N321 PolarHBondContact O-N 3.24Å; E317-N321 VanDerWaalsContact O-N 3.15Å; Y318-N321 PolarHBondContact O-N 3.3Å; C319-N321 VanDerWaalsContact C-N 3.34Å; N321-N324 WeakPolarHBondContact O-CA 3.49Å; N321-N324 WeakPolarHBondContact O-CB 3.49Å; N321-N324 PolarHBondContact O-N 3Å; N321-N324 PolarHBondContact OD1-ND2 3.49Å; N321-A325 PolarHBondContact O-N 2.74Å
322	H	80.6	Confident	79.8	Confident	29 Å²	29	66 Å²	66	13%	0.134	34%	0.339	C	S	.	.	H	α-helix	trans	-51.9	-43.9	177.1	177.9	89.1	0	0	0	113.3	Y318 N324 A325 C326 L360 V364	Y318-H322 WeakPolarHBondContact O-CB 3.49Å; Y318-H322 PolarHBondContact O-N 3.3Å; H322-N324 VanDerWaalsContact C-N 3.33Å; H322-N324 PolarHBondContact O-N 3.43Å; H322-A325 WeakPolarHBondContact O-CB 3.5Å; H322-A325 PolarHBondContact O-N 3.01Å; H322-A325 VanDerWaalsContact O-N 3.14Å; H322-C326 PolarHBondContact NE2-SG 3.22Å; H322-C326 VanDerWaalsContact NE2-SG 3.39Å; H322-C326 PolarHBondContact O-N 3.03Å; H322-C326 PolarHBondContact O-SG 2.95Å; H322-C326 VanDerWaalsContact O-SG 3.33Å; H322-L360 PolarHBondContact CE1-O 3.38Å; H322-L360 VanDerWaalsContact CE1-O 3.3Å; H322-L360 PolarHBondContact ND1-O 3.33Å; H322-V364 HydrophobicContact CB-CG2 4.25Å
323	P	72.5	Confident	80.7	Confident	62 Å²	62	65.1 Å²	65.1	40%	0.403	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-40	172.3	-27	35.5	0	0	0	114.3	C319 C326 V327	C319-P323 VanDerWaalsContact O-CD 3.29Å; C319-P323 WeakPolarHBondContact O-CD 3.46Å; P323-C326 PolarHBondContact O-N 3.34Å; P323-V327 WeakPolarHBondContact O-CG2 3.49Å; P323-V327 PolarHBondContact O-N 2.96Å
324	N	79.6	Confident	82.1	Confident	89 Å²	89	65.5 Å²	65.5	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-40.2	176.7	-55.3	-39	0	0	0	111.1	N321 H322 C326 V327 E328	N321-N324 WeakPolarHBondContact O-CA 3.49Å; N321-N324 WeakPolarHBondContact O-CB 3.49Å; N321-N324 PolarHBondContact O-N 3Å; N321-N324 PolarHBondContact OD1-ND2 3.49Å; H322-N324 VanDerWaalsContact C-N 3.33Å; H322-N324 PolarHBondContact O-N 3.43Å; N324-C326 VanDerWaalsContact C-N 3.35Å; N324-V327 PolarHBondContact O-N 3.2Å; N324-E328 PolarHBondContact O-N 3.39Å
325	A	84.4	Confident	83	Confident	29 Å²	29	64.7 Å²	64.7	24%	0.24	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-41.2	175.8	0	0	0	0	0	111.5	N321 H322 E328 L329 L360	N321-A325 PolarHBondContact O-N 2.74Å; H322-A325 WeakPolarHBondContact O-CB 3.5Å; H322-A325 PolarHBondContact O-N 3.01Å; H322-A325 VanDerWaalsContact O-N 3.14Å; A325-E328 PolarHBondContact O-N 2.79Å; A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 3.11Å; A325-L360 HydrophobicContact CB-CD1 4.47Å
326	C	77.8	Confident	83.7	Confident	35 Å²	35	67.4 Å²	67.4	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-39.9	175.4	-66.7	0	0	0	0	112.5	H322 P323 N324 S330	H322-C326 PolarHBondContact NE2-SG 3.22Å; H322-C326 VanDerWaalsContact NE2-SG 3.39Å; H322-C326 PolarHBondContact O-N 3.03Å; H322-C326 PolarHBondContact O-SG 2.95Å; H322-C326 VanDerWaalsContact O-SG 3.33Å; P323-C326 PolarHBondContact O-N 3.34Å; N324-C326 VanDerWaalsContact C-N 3.35Å; C326-S330 VanDerWaalsContact O-CB 3.26Å; C326-S330 WeakPolarHBondContact O-CB 3.21Å; C326-S330 PolarHBondContact O-N 3.41Å; C326-S330 PolarHBondContact O-OG 3.22Å
327	V	79.6	Confident	84.9	Confident	107 Å²	107	73.4 Å²	73.4	65%	0.648	38%	0.383	S	S	*	.	H	α-helix	trans	-62.9	-44.6	173.5	170.6	0	0	0	0	111.8	P323 N324 S330 R331	P323-V327 WeakPolarHBondContact O-CG2 3.49Å; P323-V327 PolarHBondContact O-N 2.96Å; N324-V327 PolarHBondContact O-N 3.2Å; V327-S330 PolarHBondContact O-N 3.39Å; V327-R331 PolarHBondContact O-N 3.43Å; V327-R331 VanDerWaalsContact O-N 3.1Å
328	E	88.4	Confident	85.8	Confident	81 Å²	81	69.8 Å²	69.8	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-69.4	-40.3	178.5	176.7	60.6	-176.2	0	0	111.9	N324 A325 S330 R331 L332	N324-E328 PolarHBondContact O-N 3.39Å; A325-E328 PolarHBondContact O-N 2.79Å; E328-S330 VanDerWaalsContact C-N 3.34Å; E328-S330 PolarHBondContact O-N 3.47Å; E328-R331 WeakPolarHBondContact O-CA 3.12Å; E328-R331 WeakPolarHBondContact O-CB 3.3Å; E328-R331 PolarHBondContact O-N 3.49Å; E328-R331 VanDerWaalsContact O-N 3.08Å; E328-R331 IonicContact OE1-CZ 2.86Å; E328-R331 IonicContact OE1-NE 2.7Å; E328-R331 IonicContact OE1-NH2 2.77Å; E328-R331 PolarHBondContact OE1-NH2 3.3Å; E328-R331 IonicContact OE2-CZ 2.7Å; E328-R331 IonicContact OE2-NE 2.76Å; E328-R331 PolarHBondContact OE2-NE 3.27Å; E328-R331 IonicContact OE2-NH2 3.14Å; E328-R331 PolarHBondContact OE2-NH2 3.39Å; E328-L332 HydrophobicContact CG-CD1 3.96Å; E328-L332 HydrophobicContact CG-CG 4.42Å; E328-L332 VanDerWaalsContact O-CG 3.27Å; E328-L332 WeakPolarHBondContact O-CG 3.23Å; E328-L332 PolarHBondContact O-N 3.27Å
329	L	90.7	Very high	86.4	Confident	16 Å²	16	69.7 Å²	69.7	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-59.9	-44.4	171.2	-77.5	178.4	0	0	0	111.4	A325 R331 L332 T333 F342 L356 D357 L360	A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 WeakPolarHBondContact O-CG 3.43Å; A325-L329 PolarHBondContact O-N 3.11Å; L329-R331 PolarHBondContact O-N 3.47Å; L329-R331 VanDerWaalsContact O-N 3.14Å; L329-L332 PolarHBondContact O-N 2.92Å; L329-T333 WeakPolarHBondContact O-CG2 3.48Å; L329-T333 PolarHBondContact O-N 3.42Å; L329-T333 PolarHBondContact O-OG1 3.36Å; L329-T333 VanDerWaalsContact O-OG1 3.13Å; L329-F342 HydrophobicContact CD2-CE2 4.04Å; L329-F342 HydrophobicContact CD2-CZ 3.87Å; L329-L356 HydrophobicContact CD1-CG 4.31Å; L329-L356 HydrophobicContact CD2-CD2 3.89Å; L329-L356 HydrophobicContact CD2-CG 4.39Å; L329-D357 HydrophobicContact CD1-CB 3.92Å; L329-L360 HydrophobicContact CD1-CD1 3.76Å
330	S	85.8	Confident	87.1	Confident	66 Å²	66	77 Å²	77	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-18.1	175.9	-58	0	0	0	0	113.6	C326 V327 E328 K334	C326-S330 VanDerWaalsContact O-CB 3.26Å; C326-S330 WeakPolarHBondContact O-CB 3.21Å; C326-S330 PolarHBondContact O-N 3.41Å; C326-S330 PolarHBondContact O-OG 3.22Å; V327-S330 PolarHBondContact O-N 3.39Å; E328-S330 VanDerWaalsContact C-N 3.34Å; E328-S330 PolarHBondContact O-N 3.47Å; S330-K334 WeakPolarHBondContact O-CD 3.3Å; S330-K334 VanDerWaalsContact O-CE 3.28Å; S330-K334 WeakPolarHBondContact O-CE 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.3Å
331	R	92	Very high	88.2	Confident	121 Å²	121	81.1 Å²	81.1	46%	0.457	41%	0.413	S	S	.	.	H	α-helix	trans	-88.9	-33.6	171.7	-164.4	-164.6	64.3	69.2	0.4	111.9	V327 E328 L329	V327-R331 PolarHBondContact O-N 3.43Å; V327-R331 VanDerWaalsContact O-N 3.1Å; E328-R331 WeakPolarHBondContact O-CA 3.12Å; E328-R331 WeakPolarHBondContact O-CB 3.3Å; E328-R331 PolarHBondContact O-N 3.49Å; E328-R331 VanDerWaalsContact O-N 3.08Å; E328-R331 IonicContact OE1-CZ 2.86Å; E328-R331 IonicContact OE1-NE 2.7Å; E328-R331 IonicContact OE1-NH2 2.77Å; E328-R331 PolarHBondContact OE1-NH2 3.3Å; E328-R331 IonicContact OE2-CZ 2.7Å; E328-R331 IonicContact OE2-NE 2.76Å; E328-R331 PolarHBondContact OE2-NE 3.27Å; E328-R331 IonicContact OE2-NH2 3.14Å; E328-R331 PolarHBondContact OE2-NH2 3.39Å; L329-R331 PolarHBondContact O-N 3.47Å; L329-R331 VanDerWaalsContact O-N 3.14Å
332	L	93.6	Very high	88.8	Confident	21 Å²	21	79 Å²	79	11%	0.11	40%	0.4	C	S	.	.	H	α-helix	trans	-78.4	-37.1	179.5	-68	169.6	0	0	0	112.7	E328 L329 K334 L335 Y338 F342	E328-L332 HydrophobicContact CG-CD1 3.96Å; E328-L332 HydrophobicContact CG-CG 4.42Å; E328-L332 VanDerWaalsContact O-CG 3.27Å; E328-L332 WeakPolarHBondContact O-CG 3.23Å; E328-L332 PolarHBondContact O-N 3.27Å; L329-L332 PolarHBondContact O-N 2.92Å; L332-K334 PolarHBondContact O-N 3.09Å; L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 3.34Å; L332-Y338 HydrophobicContact CB-CD2 4.29Å; L332-Y338 HydrophobicContact CB-CG 4.33Å; L332-Y338 HydrophobicContact CD2-CD1 4.34Å; L332-Y338 HydrophobicContact CD2-CD2 3.56Å; L332-Y338 HydrophobicContact CD2-CE1 4.2Å; L332-Y338 HydrophobicContact CD2-CE2 3.36Å; L332-Y338 HydrophobicContact CD2-CG 4.05Å; L332-F342 HydrophobicContact CB-CE2 4.27Å; L332-F342 HydrophobicContact CB-CZ 4.4Å; L332-F342 HydrophobicContact CD1-CZ 4.28Å
333	T	89.8	Confident	89.3	Confident	65 Å²	65	81.1 Å²	81.1	40%	0.399	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.8	177.3	51.1	0	0	0	0	113.1	L329 L335 V339	L329-T333 WeakPolarHBondContact O-CG2 3.48Å; L329-T333 PolarHBondContact O-N 3.42Å; L329-T333 PolarHBondContact O-OG1 3.36Å; L329-T333 VanDerWaalsContact O-OG1 3.13Å; T333-L335 PolarHBondContact O-N 3.25Å; T333-V339 WeakPolarHBondContact O-CG2 3.29Å
334	K	92.2	Very high	90.2	Very high	175 Å²	175	80.4 Å²	80.4	76%	0.761	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.8	172	-62.9	179.7	-177.1	-174.6	0	114	S330 L332	S330-K334 WeakPolarHBondContact O-CD 3.3Å; S330-K334 VanDerWaalsContact O-CE 3.28Å; S330-K334 WeakPolarHBondContact O-CE 3.24Å; S330-K334 WeakPolarHBondContact O-CG 3.3Å; L332-K334 PolarHBondContact O-N 3.09Å
335	L	95.9	Very high	90.8	Very high	73 Å²	73	78.7 Å²	78.7	38%	0.382	40%	0.403	S	S	.	.	S	Bend	trans	-118	104.6	-179.4	-61.1	173.9	0	0	0	108.8	L332 T333 K337 Y338 V339	L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 3.34Å; T333-L335 PolarHBondContact O-N 3.25Å; L335-K337 PolarHBondContact O-N 3.02Å; L335-Y338 HydrophobicContact CB-CD2 3.94Å; L335-Y338 HydrophobicContact CD1-CD2 4.06Å; L335-Y338 HydrophobicContact CD1-CE2 4.03Å; L335-Y338 PolarHBondContact O-N 2.81Å; L335-V339 PolarHBondContact O-N 3.1Å
336	S	94.5	Very high	91.1	Very high	77 Å²	77	78.9 Å²	78.9	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-45.2	-39.5	-173.8	57.4	0	0	0	0	114.8	Y338 V339 Y340	S336-Y338 PolarHBondContact O-N 3.32Å; S336-Y338 VanDerWaalsContact O-N 3.17Å; S336-V339 WeakPolarHBondContact O-CB 3.4Å; S336-V339 PolarHBondContact O-N 3.44Å; S336-V339 VanDerWaalsContact O-N 3.09Å; S336-Y340 WeakPolarHBondContact O-CD2 3.36Å; S336-Y340 PolarHBondContact O-N 3.37Å
337	K	96	Very high	91.8	Very high	135 Å²	135	82.2 Å²	82.2	59%	0.587	41%	0.412	S	S	*	.	H	α-helix	trans	-55.4	-31.5	176.3	74.4	178.2	-171.1	176.5	0	114.5	L335 F341	L335-K337 PolarHBondContact O-N 3.02Å; K337-F341 WeakPolarHBondContact O-CB 3.11Å; K337-F341 PolarHBondContact O-N 3.17Å
338	Y	95.1	Very high	92.3	Very high	78 Å²	78	84 Å²	84	31%	0.306	42%	0.418	S	S	.	.	H	α-helix	trans	-85.8	-33.4	177	-72.2	-68.6	0	0	0	111.7	L332 L335 S336 F341 F342	L332-Y338 HydrophobicContact CB-CD2 4.29Å; L332-Y338 HydrophobicContact CB-CG 4.33Å; L332-Y338 HydrophobicContact CD2-CD1 4.34Å; L332-Y338 HydrophobicContact CD2-CD2 3.56Å; L332-Y338 HydrophobicContact CD2-CE1 4.2Å; L332-Y338 HydrophobicContact CD2-CE2 3.36Å; L332-Y338 HydrophobicContact CD2-CG 4.05Å; L335-Y338 HydrophobicContact CB-CD2 3.94Å; L335-Y338 HydrophobicContact CD1-CD2 4.06Å; L335-Y338 HydrophobicContact CD1-CE2 4.03Å; L335-Y338 PolarHBondContact O-N 2.81Å; S336-Y338 PolarHBondContact O-N 3.32Å; S336-Y338 VanDerWaalsContact O-N 3.17Å; Y338-F341 PolarHBondContact O-N 3Å; Y338-F342 WeakPolarHBondContact O-CD2 3.33Å; Y338-F342 VanDerWaalsContact O-CG 3.25Å; Y338-F342 WeakPolarHBondContact O-CG 3.21Å; Y338-F342 PolarHBondContact O-N 3.24Å
339	V	92.8	Very high	92.2	Very high	66 Å²	66	85.1 Å²	85.1	40%	0.4	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-53	172.5	-177	0	0	0	0	110.3	T333 L335 S336 F341 F342 E343	T333-V339 WeakPolarHBondContact O-CG2 3.29Å; L335-V339 PolarHBondContact O-N 3.1Å; S336-V339 WeakPolarHBondContact O-CB 3.4Å; S336-V339 PolarHBondContact O-N 3.44Å; S336-V339 VanDerWaalsContact O-N 3.09Å; V339-F341 VanDerWaalsContact C-N 3.28Å; V339-F341 PolarHBondContact O-N 3.43Å; V339-F342 PolarHBondContact O-N 3.08Å; V339-E343 WeakPolarHBondContact O-CB 3.36Å; V339-E343 PolarHBondContact O-N 3.46Å
340	Y	93.8	Very high	92	Very high	169 Å²	169	93.3 Å²	93.3	66%	0.663	46%	0.458	S	S	*	.	H	α-helix	trans	-63.5	-32.3	176.8	-56.8	-51.4	0	0	0	113	S336 A344	S336-Y340 WeakPolarHBondContact O-CD2 3.36Å; S336-Y340 PolarHBondContact O-N 3.37Å; Y340-A344 WeakPolarHBondContact O-CB 3.48Å; Y340-A344 PolarHBondContact O-N 3.09Å
341	F	95.4	Very high	91.5	Very high	120 Å²	120	93.2 Å²	93.2	53%	0.526	45%	0.451	S	S	.	.	H	α-helix	trans	-69.5	-47.4	177.5	175.9	-98.1	0	0	0	112.1	K337 Y338 V339 A344 C345	K337-F341 WeakPolarHBondContact O-CB 3.11Å; K337-F341 PolarHBondContact O-N 3.17Å; Y338-F341 PolarHBondContact O-N 3Å; V339-F341 VanDerWaalsContact C-N 3.28Å; V339-F341 PolarHBondContact O-N 3.43Å; F341-A344 PolarHBondContact O-N 3.3Å; F341-C345 PolarHBondContact O-N 2.78Å; F341-C345 PolarHBondContact O-SG 2.75Å; F341-C345 VanDerWaalsContact O-SG 3.42Å
342	F	93.6	Very high	91	Very high	46 Å²	46	91.8 Å²	91.8	20%	0.202	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-42.4	177.9	-62.1	-40	0	0	0	111.3	L329 L332 Y338 V339 C345 R346 L356	L329-F342 HydrophobicContact CD2-CE2 4.04Å; L329-F342 HydrophobicContact CD2-CZ 3.87Å; L332-F342 HydrophobicContact CB-CE2 4.27Å; L332-F342 HydrophobicContact CB-CZ 4.4Å; L332-F342 HydrophobicContact CD1-CZ 4.28Å; Y338-F342 WeakPolarHBondContact O-CD2 3.33Å; Y338-F342 VanDerWaalsContact O-CG 3.25Å; Y338-F342 WeakPolarHBondContact O-CG 3.21Å; Y338-F342 PolarHBondContact O-N 3.24Å; V339-F342 PolarHBondContact O-N 3.08Å; F342-C345 WeakPolarHBondContact O-CB 3.16Å; F342-C345 PolarHBondContact O-N 3.29Å; F342-R346 WeakPolarHBondContact O-CB 3.33Å; F342-R346 PolarHBondContact O-N 2.87Å; F342-L356 HydrophobicContact CD1-CD2 3.61Å; F342-L356 HydrophobicContact CE1-CD2 3.62Å; F342-L356 HydrophobicContact CG-CD2 4.14Å; F342-L356 HydrophobicContact CZ-CD2 4.14Å
343	E	91.3	Very high	90.4	Very high	72 Å²	72	95.9 Å²	95.9	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-42	177.1	-177.5	57	-165.1	0	0	112.2	V339 C345 R346 L347	V339-E343 WeakPolarHBondContact O-CB 3.36Å; V339-E343 PolarHBondContact O-N 3.46Å; E343-C345 VanDerWaalsContact C-N 3.33Å; E343-C345 PolarHBondContact O-N 3.22Å; E343-R346 PolarHBondContact O-N 2.66Å; E343-R346 IonicContact OE1-CZ 2.67Å; E343-R346 IonicContact OE1-NE 3.5Å; E343-R346 PolarHBondContact OE1-NE 3.07Å; E343-R346 IonicContact OE1-NH2 2.76Å; E343-R346 PolarHBondContact OE1-NH2 2.91Å; E343-R346 IonicContact OE2-CZ 3.34Å; E343-R346 IonicContact OE2-NE 3.64Å; E343-R346 PolarHBondContact OE2-NE 3.07Å; E343-R346 IonicContact OE2-NH2 3.01Å; E343-R346 PolarHBondContact OE2-NH2 2.93Å; E343-L347 HydrophobicContact CG-CD1 4.07Å; E343-L347 HydrophobicContact CG-CG 4.46Å; E343-L347 WeakPolarHBondContact O-CG 3.31Å; E343-L347 PolarHBondContact O-N 3.34Å; E343-L347 WeakPolarHBondContact OE1-CG 3.43Å
344	A	92.7	Very high	89.9	Confident	47 Å²	47	95.5 Å²	95.5	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-41.2	173.1	0	0	0	0	0	112.1	Y340 F341 L348	Y340-A344 WeakPolarHBondContact O-CB 3.48Å; Y340-A344 PolarHBondContact O-N 3.09Å; F341-A344 PolarHBondContact O-N 3.3Å; A344-L348 VanDerWaalsContact O-CB 3.26Å; A344-L348 WeakPolarHBondContact O-CB 3.41Å; A344-L348 WeakPolarHBondContact O-CD1 3.31Å; A344-L348 WeakPolarHBondContact O-CG 3.4Å; A344-L348 PolarHBondContact O-N 3.47Å
345	C	91.3	Very high	89.5	Confident	54 Å²	54	89.9 Å²	89.9	37%	0.365	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-44	173.6	-75.8	0	0	0	0	112.3	F341 F342 E343 L348 Q349	F341-C345 PolarHBondContact O-N 2.78Å; F341-C345 PolarHBondContact O-SG 2.75Å; F341-C345 VanDerWaalsContact O-SG 3.42Å; F342-C345 WeakPolarHBondContact O-CB 3.16Å; F342-C345 PolarHBondContact O-N 3.29Å; E343-C345 VanDerWaalsContact C-N 3.33Å; E343-C345 PolarHBondContact O-N 3.22Å; C345-L348 PolarHBondContact O-N 2.86Å; C345-Q349 WeakPolarHBondContact O-CB 3.36Å; C345-Q349 PolarHBondContact O-N 3.41Å
346	R	91.8	Very high	89	Confident	33 Å²	33	89.5 Å²	89.5	13%	0.125	45%	0.449	C	S	.	.	H	α-helix	trans	-61.2	-48.5	179	-166.5	-169.5	68.5	96.5	-13.8	112	F342 E343 K350 M351 I352 D353	F342-R346 WeakPolarHBondContact O-CB 3.33Å; F342-R346 PolarHBondContact O-N 2.87Å; E343-R346 PolarHBondContact O-N 2.66Å; E343-R346 IonicContact OE1-CZ 2.67Å; E343-R346 IonicContact OE1-NE 3.5Å; E343-R346 PolarHBondContact OE1-NE 3.07Å; E343-R346 IonicContact OE1-NH2 2.76Å; E343-R346 PolarHBondContact OE1-NH2 2.91Å; E343-R346 IonicContact OE2-CZ 3.34Å; E343-R346 IonicContact OE2-NE 3.64Å; E343-R346 PolarHBondContact OE2-NE 3.07Å; E343-R346 IonicContact OE2-NH2 3.01Å; E343-R346 PolarHBondContact OE2-NH2 2.93Å; R346-K350 PolarHBondContact O-N 3.17Å; R346-M351 HydrophobicContact CB-CE 4.25Å; R346-M351 HydrophobicContact CG-CB 3.83Å; R346-M351 HydrophobicContact CG-CE 4.25Å; R346-M351 PolarHBondContact NH1-O 3.05Å; R346-M351 PolarHBondContact O-N 3.3Å; R346-I352 PolarHBondContact NH1-O 2.62Å; R346-D353 IonicContact CZ-OD1 3.56Å; R346-D353 IonicContact NH1-OD1 3.46Å; R346-D353 PolarHBondContact NH1-OD1 3.48Å; R346-D353 IonicContact NH2-OD1 3.44Å; R346-D353 PolarHBondContact NH2-OD1 3.42Å
347	L	90.8	Very high	88.5	Confident	104 Å²	104	89 Å²	89	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-66.8	-41.6	178.8	-66.7	173	0	0	0	112.5	E343 K350	E343-L347 HydrophobicContact CG-CD1 4.07Å; E343-L347 HydrophobicContact CG-CG 4.46Å; E343-L347 WeakPolarHBondContact O-CG 3.31Å; E343-L347 PolarHBondContact O-N 3.34Å; E343-L347 WeakPolarHBondContact OE1-CG 3.43Å; L347-K350 PolarHBondContact O-N 2.72Å; L347-K350 VanDerWaalsContact O-N 3.15Å
348	L	90.6	Very high	87.8	Confident	145 Å²	145	83.4 Å²	83.4	76%	0.759	42%	0.422	S	S	*	.	H	α-helix	trans	-65.7	-40	178.7	-75.1	170.4	0	0	0	112.6	A344 C345 K350	A344-L348 VanDerWaalsContact O-CB 3.26Å; A344-L348 WeakPolarHBondContact O-CB 3.41Å; A344-L348 WeakPolarHBondContact O-CD1 3.31Å; A344-L348 WeakPolarHBondContact O-CG 3.4Å; A344-L348 PolarHBondContact O-N 3.47Å; C345-L348 PolarHBondContact O-N 2.86Å; L348-K350 PolarHBondContact O-N 2.86Å
349	Q	85.8	Confident	87.3	Confident	104 Å²	104	80.8 Å²	80.8	49%	0.486	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.7	175.4	-168	63.2	2.8	0	0	112.6	D305 C345 M351	D305-Q349 VanDerWaalsContact CG-NE2 3.25Å; D305-Q349 PolarHBondContact OD1-NE2 2.88Å; D305-Q349 PolarHBondContact OD2-NE2 3.28Å; C345-Q349 WeakPolarHBondContact O-CB 3.36Å; C345-Q349 PolarHBondContact O-N 3.41Å; Q349-M351 VanDerWaalsContact C-N 3.25Å; Q349-M351 HydrophobicContact CB-CE 4.43Å; Q349-M351 HydrophobicContact CB-CG 3.99Å; Q349-M351 HydrophobicContact CG-CG 3.84Å; Q349-M351 HydrophobicContact CG-SD 4.22Å; Q349-M351 PolarHBondContact O-N 3.09Å
350	K	87.1	Confident	87	Confident	189 Å²	189	79.6 Å²	79.6	82%	0.822	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	38.3	-176.8	-54	-178.7	-178.7	-178.1	0	112.8	R346 L347 L348	R346-K350 PolarHBondContact O-N 3.17Å; L347-K350 PolarHBondContact O-N 2.72Å; L347-K350 VanDerWaalsContact O-N 3.15Å; L348-K350 PolarHBondContact O-N 2.86Å
351	M	76	Confident	86.5	Confident	63 Å²	63	74.1 Å²	74.1	31%	0.31	39%	0.385	S	S	.	.			trans	-73.1	151.4	176	-68.4	-168.1	-63.9	0	0	110.9	R346 Q349 F359	R346-M351 HydrophobicContact CB-CE 4.25Å; R346-M351 HydrophobicContact CG-CB 3.83Å; R346-M351 HydrophobicContact CG-CE 4.25Å; R346-M351 PolarHBondContact NH1-O 3.05Å; R346-M351 PolarHBondContact O-N 3.3Å; Q349-M351 VanDerWaalsContact C-N 3.25Å; Q349-M351 HydrophobicContact CB-CE 4.43Å; Q349-M351 HydrophobicContact CB-CG 3.99Å; Q349-M351 HydrophobicContact CG-CG 3.84Å; Q349-M351 HydrophobicContact CG-SD 4.22Å; Q349-M351 PolarHBondContact O-N 3.09Å; M351-F359 HydrophobicContact CB-CE2 4.18Å; M351-F359 HydrophobicContact CB-CZ 3.87Å; M351-F359 HydrophobicContact CG-CZ 4.4Å; M351-F359 HydrophobicContact SD-CE1 4.45Å; M351-F359 HydrophobicContact SD-CE2 4.33Å; M351-F359 HydrophobicContact SD-CZ 4.19Å
352	I	80.6	Confident	85.8	Confident	92 Å²	92	69.6 Å²	69.6	47%	0.472	37%	0.367	S	S	.	.			trans	-60.2	164.8	176.3	54.7	175.6	0	0	0	112.4	R346 I354 F359	R346-I352 PolarHBondContact NH1-O 2.62Å; I352-I354 VanDerWaalsContact C-N 3.28Å; I352-I354 HydrophobicContact CD1-CD1 3.52Å; I352-I354 HydrophobicContact CD1-CG1 4.06Å; I352-I354 HydrophobicContact CG1-CD1 4.09Å; I352-I354 HydrophobicContact CG1-CG1 4.1Å; I352-I354 PolarHBondContact O-N 3.31Å; I352-F359 HydrophobicContact CD1-CZ 4.47Å; I352-F359 HydrophobicContact CG1-CE1 4.22Å; I352-F359 HydrophobicContact CG1-CZ 3.64Å
353	D	81.3	Confident	85.4	Confident	106 Å²	106	67.7 Å²	67.7	57%	0.567	36%	0.359	S	S	*	.	S	Bend	trans	-76.5	79.4	179.5	-139.6	58.8	0	0	0	110.7	R229 R346	R229-D353 PolarHBondContact NH1-O 2.97Å; R346-D353 IonicContact CZ-OD1 3.56Å; R346-D353 IonicContact NH1-OD1 3.46Å; R346-D353 PolarHBondContact NH1-OD1 3.48Å; R346-D353 IonicContact NH2-OD1 3.44Å; R346-D353 PolarHBondContact NH2-OD1 3.42Å
354	I	79.4	Confident	84.9	Confident	57 Å²	57	64.9 Å²	64.9	29%	0.292	35%	0.347	S	S	.	.			trans	-143.1	142.6	174.7	-59.8	-173.4	0	0	0	107.3	I352 F359	I352-I354 VanDerWaalsContact C-N 3.28Å; I352-I354 HydrophobicContact CD1-CD1 3.52Å; I352-I354 HydrophobicContact CD1-CG1 4.06Å; I352-I354 HydrophobicContact CG1-CD1 4.09Å; I352-I354 HydrophobicContact CG1-CG1 4.1Å; I352-I354 PolarHBondContact O-N 3.31Å; I354-F359 HydrophobicContact CB-CD2 4.22Å; I354-F359 HydrophobicContact CB-CE2 3.85Å; I354-F359 HydrophobicContact CB-CZ 4.27Å; I354-F359 HydrophobicContact CG2-CD2 4.22Å; I354-F359 HydrophobicContact CG2-CE2 4.35Å; I354-F359 WeakPolarHBondContact O-CE2 3.33Å
355	S	83.9	Confident	84.2	Confident	58 Å²	58	64.7 Å²	64.7	41%	0.406	34%	0.338	S	S	.	.			trans	-67.5	161.6	176.4	59	0	0	0	0	112.7	D357 G358 F359	S355-D357 VanDerWaalsContact C-N 3.32Å; S355-D357 VanDerWaalsContact CB-OD1 3.28Å; S355-D357 WeakPolarHBondContact CB-OD1 3.3Å; S355-D357 WeakPolarHBondContact CB-OD2 3.33Å; S355-D357 PolarHBondContact O-N 2.65Å; S355-D357 PolarHBondContact OG-OD1 2.86Å; S355-D357 PolarHBondContact OG-OD2 3.37Å; S355-G358 PolarHBondContact O-N 2.84Å; S355-G358 VanDerWaalsContact O-N 3.14Å; S355-G358 PolarHBondContact OG-N 3.39Å; S355-F359 WeakPolarHBondContact O-CD2 3.33Å; S355-F359 PolarHBondContact O-N 3.03Å
356	L	85.6	Confident	83.9	Confident	65 Å²	65	62.5 Å²	62.5	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-38	179.8	179.9	56.8	0	0	0	112	L329 F342 F359 L360	L329-L356 HydrophobicContact CD1-CG 4.31Å; L329-L356 HydrophobicContact CD2-CD2 3.89Å; L329-L356 HydrophobicContact CD2-CG 4.39Å; F342-L356 HydrophobicContact CD1-CD2 3.61Å; F342-L356 HydrophobicContact CE1-CD2 3.62Å; F342-L356 HydrophobicContact CG-CD2 4.14Å; F342-L356 HydrophobicContact CZ-CD2 4.14Å; L356-F359 PolarHBondContact O-N 2.79Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 2.8Å
357	D	83	Confident	83.5	Confident	65 Å²	65	61 Å²	61	35%	0.348	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-44.2	169.5	42.3	-75.6	0	0	0	112.3	L329 S355 F359 L360 L361	L329-D357 HydrophobicContact CD1-CB 3.92Å; S355-D357 VanDerWaalsContact C-N 3.32Å; S355-D357 VanDerWaalsContact CB-OD1 3.28Å; S355-D357 WeakPolarHBondContact CB-OD1 3.3Å; S355-D357 WeakPolarHBondContact CB-OD2 3.33Å; S355-D357 PolarHBondContact O-N 2.65Å; S355-D357 PolarHBondContact OG-OD1 2.86Å; S355-D357 PolarHBondContact OG-OD2 3.37Å; D357-F359 PolarHBondContact O-N 2.74Å; D357-L360 CarbonylContact O-C 3.57Å; D357-L360 PolarHBondContact O-N 2.92Å; D357-L361 PolarHBondContact O-N 2.96Å
358	G	81.6	Confident	82.9	Confident	19 Å²	19	56.3 Å²	56.3	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-41.6	173.2	0	0	0	0	0	113	S355 L361	S355-G358 PolarHBondContact O-N 2.84Å; S355-G358 VanDerWaalsContact O-N 3.14Å; S355-G358 PolarHBondContact OG-N 3.39Å; G358-L361 WeakPolarHBondContact O-CB 3.33Å; G358-L361 PolarHBondContact O-N 3.49Å
359	F	84.1	Confident	82.6	Confident	23 Å²	23	52.6 Å²	52.6	10%	0.101	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-42.8	172.1	-82.5	-72.7	0	0	0	112.5	M351 I352 I354 S355 L356 D357 L361 T362	M351-F359 HydrophobicContact CB-CE2 4.18Å; M351-F359 HydrophobicContact CB-CZ 3.87Å; M351-F359 HydrophobicContact CG-CZ 4.4Å; M351-F359 HydrophobicContact SD-CE1 4.45Å; M351-F359 HydrophobicContact SD-CE2 4.33Å; M351-F359 HydrophobicContact SD-CZ 4.19Å; I352-F359 HydrophobicContact CD1-CZ 4.47Å; I352-F359 HydrophobicContact CG1-CE1 4.22Å; I352-F359 HydrophobicContact CG1-CZ 3.64Å; I354-F359 HydrophobicContact CB-CD2 4.22Å; I354-F359 HydrophobicContact CB-CE2 3.85Å; I354-F359 HydrophobicContact CB-CZ 4.27Å; I354-F359 HydrophobicContact CG2-CD2 4.22Å; I354-F359 HydrophobicContact CG2-CE2 4.35Å; I354-F359 WeakPolarHBondContact O-CE2 3.33Å; S355-F359 WeakPolarHBondContact O-CD2 3.33Å; S355-F359 PolarHBondContact O-N 3.03Å; L356-F359 PolarHBondContact O-N 2.79Å; D357-F359 PolarHBondContact O-N 2.74Å; F359-L361 PolarHBondContact O-N 3.35Å; F359-T362 WeakPolarHBondContact O-CB 3.36Å; F359-T362 PolarHBondContact O-N 2.94Å; F359-T362 VanDerWaalsContact O-N 3.13Å; F359-T362 PolarHBondContact O-OG1 3.32Å
360	L	86.8	Confident	82.6	Confident	41 Å²	41	48.8 Å²	48.8	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-13	176.3	-66.6	179.7	0	0	0	113.8	Y318 H322 A325 L329 L356 D357	Y318-L360 WeakPolarHBondContact CE1-O 3.36Å; Y318-L360 WeakPolarHBondContact OH-CA 3.43Å; Y318-L360 VanDerWaalsContact OH-CD2 3.31Å; Y318-L360 WeakPolarHBondContact OH-CD2 3.41Å; Y318-L360 PolarHBondContact OH-O 2.95Å; H322-L360 PolarHBondContact CE1-O 3.38Å; H322-L360 VanDerWaalsContact CE1-O 3.3Å; H322-L360 PolarHBondContact ND1-O 3.33Å; A325-L360 HydrophobicContact CB-CD1 4.47Å; L329-L360 HydrophobicContact CD1-CD1 3.76Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 2.8Å; D357-L360 CarbonylContact O-C 3.57Å; D357-L360 PolarHBondContact O-N 2.92Å
361	L	83.2	Confident	82.4	Confident	54 Å²	54	40.3 Å²	40.3	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-80.9	-20.7	171.7	-171.9	63	0	0	0	112.1	D357 G358 F359 V364 Q365	D357-L361 PolarHBondContact O-N 2.96Å; G358-L361 WeakPolarHBondContact O-CB 3.33Å; G358-L361 PolarHBondContact O-N 3.49Å; F359-L361 PolarHBondContact O-N 3.35Å; L361-V364 HydrophobicContact CD1-CB 4.14Å; L361-V364 HydrophobicContact CD1-CG1 4.44Å; L361-V364 HydrophobicContact CD1-CG2 4.5Å; L361-V364 WeakPolarHBondContact O-CB 3.45Å; L361-V364 PolarHBondContact O-N 3.43Å; L361-V364 VanDerWaalsContact O-N 3.09Å; L361-Q365 HydrophobicContact CG-CG 4.12Å; L361-Q365 PolarHBondContact O-N 2.9Å
362	T	82.3	Confident	82.8	Confident	24 Å²	24	38 Å²	38	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-35.8	-173.4	63.6	0	0	0	0	115.2	F359 V364 Q365 K366	F359-T362 WeakPolarHBondContact O-CB 3.36Å; F359-T362 PolarHBondContact O-N 2.94Å; F359-T362 VanDerWaalsContact O-N 3.13Å; F359-T362 PolarHBondContact O-OG1 3.32Å; T362-V364 VanDerWaalsContact C-N 3.35Å; T362-Q365 PolarHBondContact O-N 3.43Å; T362-K366 VanDerWaalsContact O-CB 3.27Å; T362-K366 WeakPolarHBondContact O-CB 3.31Å; T362-K366 PolarHBondContact O-N 3.39Å
363	P	84.9	Confident	83.1	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-69.3	-34	175.1	-21.9	37.5	0	0	0	112.8	Y299 L303 Y315 Y318 K366 I367	Y299-P363 HydrophobicContact CE2-CG 4.49Å; Y299-P363 WeakPolarHBondContact OH-CA 3.32Å; Y299-P363 WeakPolarHBondContact OH-CB 3.19Å; L303-P363 HydrophobicContact CD2-CG 4.26Å; Y315-P363 HydrophobicContact CD1-CB 4.23Å; Y315-P363 HydrophobicContact CE1-CB 3.91Å; Y318-P363 HydrophobicContact CD1-CB 3.94Å; Y318-P363 HydrophobicContact CD1-CG 4.32Å; Y318-P363 HydrophobicContact CE1-CB 3.74Å; Y318-P363 HydrophobicContact CE1-CG 3.66Å; Y318-P363 HydrophobicContact CE2-CG 4.4Å; P363-K366 PolarHBondContact O-N 3.02Å; P363-I367 PolarHBondContact O-N 3.48Å; P363-I367 VanDerWaalsContact O-N 3.11Å
364	V	79.9	Confident	83.3	Confident	14 Å²	14	30 Å²	30	9%	0.085	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-38.4	177	-170.4	0	0	0	0	110.6	W203 Y318 H322 L361 T362	W203-V364 HydrophobicContact CH2-CG1 4.3Å; W203-V364 HydrophobicContact CZ2-CG1 3.75Å; Y318-V364 HydrophobicContact CD1-CG2 4.11Å; Y318-V364 HydrophobicContact CE1-CG2 4.04Å; H322-V364 HydrophobicContact CB-CG2 4.25Å; L361-V364 HydrophobicContact CD1-CB 4.14Å; L361-V364 HydrophobicContact CD1-CG1 4.44Å; L361-V364 HydrophobicContact CD1-CG2 4.5Å; L361-V364 WeakPolarHBondContact O-CB 3.45Å; L361-V364 PolarHBondContact O-N 3.43Å; L361-V364 VanDerWaalsContact O-N 3.09Å; T362-V364 VanDerWaalsContact C-N 3.35Å
365	Q	79.1	Confident	83.7	Confident	42 Å²	42	28.7 Å²	28.7	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-45.7	171.8	-69.2	169.3	-7.4	0	0	112.1	L361 T362 I367 C368 K369	L361-Q365 HydrophobicContact CG-CG 4.12Å; L361-Q365 PolarHBondContact O-N 2.9Å; T362-Q365 PolarHBondContact O-N 3.43Å; Q365-I367 PolarHBondContact O-N 3.05Å; Q365-C368 PolarHBondContact O-N 3.46Å; Q365-K369 PolarHBondContact O-N 3.37Å
366	K	84.9	Confident	83.9	Confident	9 Å²	9	26.7 Å²	26.7	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-42.4	-172.5	-176.8	70.4	-178.8	-176.2	0	112.2	T295 E296 Y299 T362 P363 C368 K369 Y370	T295-K366 VanDerWaalsContact C-NZ 3.27Å; T295-K366 PolarHBondContact O-NZ 3.5Å; T295-K366 PolarHBondContact OG1-NZ 3Å; E296-K366 WeakPolarHBondContact OE1-CE 3.45Å; E296-K366 IonicContact OE1-NZ 3.59Å; E296-K366 PolarHBondContact OE1-NZ 3.44Å; Y299-K366 HydrophobicContact CD1-CD 4.1Å; Y299-K366 HydrophobicContact CD1-CG 3.7Å; Y299-K366 HydrophobicContact CD2-CB 3.94Å; Y299-K366 HydrophobicContact CD2-CD 4.19Å; Y299-K366 HydrophobicContact CD2-CG 3.86Å; Y299-K366 HydrophobicContact CE1-CB 4.27Å; Y299-K366 HydrophobicContact CE1-CG 3.67Å; Y299-K366 HydrophobicContact CE2-CB 3.64Å; Y299-K366 HydrophobicContact CE2-CG 3.86Å; Y299-K366 HydrophobicContact CG-CB 4.38Å; Y299-K366 HydrophobicContact CG-CD 3.88Å; Y299-K366 HydrophobicContact CG-CG 3.78Å; T362-K366 VanDerWaalsContact O-CB 3.27Å; T362-K366 WeakPolarHBondContact O-CB 3.31Å; T362-K366 PolarHBondContact O-N 3.39Å; P363-K366 PolarHBondContact O-N 3.02Å; K366-C368 PolarHBondContact O-N 3.31Å; K366-K369 WeakPolarHBondContact O-CB 3.34Å; K366-K369 PolarHBondContact O-N 2.77Å; K366-Y370 VanDerWaalsContact CE-CZ 3.46Å; K366-Y370 WeakPolarHBondContact CE-OH 3.45Å; K366-Y370 HydrophobicContact CG-CE2 3.98Å; K366-Y370 WeakPolarHBondContact O-CD2 3.44Å
367	I	82.3	Confident	84.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-31	-178.6	-162.3	60.7	0	0	0	112.8	F312 Y315 P363 Q365 Y370 M398 V401 I405	F312-I367 HydrophobicContact CB-CD1 4.34Å; F312-I367 HydrophobicContact CD1-CD1 3.52Å; F312-I367 HydrophobicContact CE1-CD1 4.15Å; F312-I367 HydrophobicContact CG-CD1 4.23Å; Y315-I367 HydrophobicContact CD1-CB 3.63Å; Y315-I367 HydrophobicContact CD1-CD1 4.05Å; Y315-I367 HydrophobicContact CD1-CG1 3.96Å; Y315-I367 HydrophobicContact CD1-CG2 4.21Å; Y315-I367 HydrophobicContact CD2-CD1 4.03Å; Y315-I367 HydrophobicContact CE1-CB 4.11Å; Y315-I367 HydrophobicContact CE1-CD1 4.38Å; Y315-I367 HydrophobicContact CE2-CD1 4.39Å; Y315-I367 HydrophobicContact CG-CB 4.16Å; Y315-I367 HydrophobicContact CG-CD1 3.85Å; Y315-I367 HydrophobicContact CG-CG1 3.94Å; P363-I367 PolarHBondContact O-N 3.48Å; P363-I367 VanDerWaalsContact O-N 3.11Å; Q365-I367 PolarHBondContact O-N 3.05Å; I367-Y370 HydrophobicContact CD1-CD2 4.13Å; I367-Y370 HydrophobicContact CD1-CE2 4.24Å; I367-M398 HydrophobicContact CD1-CE 3.75Å; I367-V401 HydrophobicContact CD1-CG1 3.93Å; I367-V401 HydrophobicContact CG1-CG1 3.87Å; I367-I405 HydrophobicContact CB-CD1 4.3Å; I367-I405 HydrophobicContact CG1-CD1 3.62Å; I367-I405 HydrophobicContact CG2-CD1 3.74Å
368	C	79.2	Confident	84.3	Confident	6 Å²	6	22.8 Å²	22.8	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-85	-11.3	175	-63.7	0	0	0	0	114.1	L202 W203 Q365 K366 P371	L202-C368 HydrophobicContact CB-CB 4.29Å; L202-C368 HydrophobicContact CD2-CB 4.22Å; L202-C368 VanDerWaalsContact CD2-O 3.23Å; L202-C368 WeakPolarHBondContact CD2-O 3.27Å; W203-C368 VanDerWaalsContact CH2-SG 3.54Å; W203-C368 HydrophobicContact CZ2-CB 4.32Å; W203-C368 WeakPolarHBondContact CZ2-SG 3.31Å; Q365-C368 PolarHBondContact O-N 3.46Å; K366-C368 PolarHBondContact O-N 3.31Å; C368-P371 WeakPolarHBondContact O-CD 3.49Å
369	K	83.1	Confident	84.7	Confident	68 Å²	68	27.3 Å²	27.3	30%	0.296	14%	0.138	S	C	.	.	H	α-helix	trans	-77.5	-31.9	173.6	-77	178.1	177.2	-173.9	0	112.6	L202 Q365 K366 L372 Q373	L202-K369 HydrophobicContact CD1-CG 4.15Å; L202-K369 HydrophobicContact CD2-CB 4.32Å; L202-K369 HydrophobicContact CD2-CG 3.57Å; Q365-K369 PolarHBondContact O-N 3.37Å; K366-K369 WeakPolarHBondContact O-CB 3.34Å; K366-K369 PolarHBondContact O-N 2.77Å; K369-L372 PolarHBondContact O-N 3.14Å; K369-L372 VanDerWaalsContact O-N 3.11Å; K369-Q373 WeakPolarHBondContact O-CG 3.48Å; K369-Q373 PolarHBondContact O-N 2.9Å
370	Y	86.4	Confident	85.1	Confident	24 Å²	24	26.9 Å²	26.9	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-44.4	-178.7	-64.4	-68.6	0	0	0	114.9	E296 F312 K366 I367 L372 Q373 L374 M398	E296-Y370 WeakPolarHBondContact OE1-CE1 3.37Å; E296-Y370 VanDerWaalsContact OE1-CZ 3.27Å; E296-Y370 PolarHBondContact OE1-OH 3.26Å; F312-Y370 HydrophobicContact CE1-CD2 4.29Å; F312-Y370 AromaticContact CE1-CE2 3.73Å; F312-Y370 HydrophobicContact CE1-CE2 3.73Å; F312-Y370 HydrophobicContact CZ-CE2 4.37Å; K366-Y370 VanDerWaalsContact CE-CZ 3.46Å; K366-Y370 WeakPolarHBondContact CE-OH 3.45Å; K366-Y370 HydrophobicContact CG-CE2 3.98Å; K366-Y370 WeakPolarHBondContact O-CD2 3.44Å; I367-Y370 HydrophobicContact CD1-CD2 4.13Å; I367-Y370 HydrophobicContact CD1-CE2 4.24Å; Y370-L372 VanDerWaalsContact C-N 3.28Å; Y370-L372 PolarHBondContact O-N 2.75Å; Y370-Q373 PolarHBondContact O-N 3.48Å; Y370-L374 WeakPolarHBondContact O-CB 3.44Å; Y370-L374 VanDerWaalsContact O-CG 3.3Å; Y370-L374 WeakPolarHBondContact O-CG 3.44Å; Y370-L374 PolarHBondContact O-N 3.42Å; Y370-M398 HydrophobicContact CD2-CE 3.5Å; Y370-M398 HydrophobicContact CE2-CE 4.29Å; Y370-M398 HydrophobicContact CG-CE 3.8Å
371	P	83.4	Confident	85.1	Confident	11 Å²	11	25.1 Å²	25.1	7%	0.071	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-38.8	174.8	-28.3	36.6	0	0	0	113.9	C368 A375 L395 M398 K399 A402	C368-P371 WeakPolarHBondContact O-CD 3.49Å; P371-A375 VanDerWaalsContact O-CB 3.26Å; P371-A375 WeakPolarHBondContact O-CB 3.3Å; P371-A375 PolarHBondContact O-N 3.01Å; P371-L395 WeakPolarHBondContact O-CD1 3.36Å; P371-M398 HydrophobicContact CG-CB 4.2Å; P371-K399 HydrophobicContact CB-CG 3.93Å; P371-K399 HydrophobicContact CG-CG 4.48Å; P371-A402 HydrophobicContact CG-CB 3.94Å
372	L	83.8	Confident	85.5	Confident	14 Å²	14	26.9 Å²	26.9	7%	0.073	13%	0.134	C	C	.	.	H	α-helix	trans	-74.7	-44.9	-178.5	-52.2	-171.9	0	0	0	110.6	E200 L202 R249 K369 Y370 L374 A375 E376	E200-L372 HydrophobicContact CB-CD1 4.32Å; E200-L372 HydrophobicContact CG-CD1 4.47Å; E200-L372 HydrophobicContact CG-CD2 4.15Å; E200-L372 WeakPolarHBondContact OE1-CD2 3.27Å; L202-L372 HydrophobicContact CD2-CD1 3.5Å; L202-L372 VanDerWaalsContact CD2-CD1 3.5Å; L202-L372 HydrophobicContact CD2-CG 4.28Å; L202-L372 HydrophobicContact CG-CD1 4.24Å; R249-L372 HydrophobicContact CB-CD1 3.77Å; K369-L372 PolarHBondContact O-N 3.14Å; K369-L372 VanDerWaalsContact O-N 3.11Å; Y370-L372 VanDerWaalsContact C-N 3.28Å; Y370-L372 PolarHBondContact O-N 2.75Å; L372-L374 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 3.41Å; L372-A375 PolarHBondContact O-N 3.32Å; L372-E376 PolarHBondContact O-N 3.17Å
373	Q	86	Confident	85.9	Confident	2 Å²	2	30 Å²	30	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.3	-71.6	-179.4	-58.3	0	0	112.5	E291 I292 T295 K369 Y370 L377	E291-Q373 PolarHBondContact OE1-NE2 3.17Å; E291-Q373 WeakPolarHBondContact OE2-CG 3.47Å; E291-Q373 PolarHBondContact OE2-NE2 2.85Å; I292-Q373 HydrophobicContact CD1-CB 4.04Å; I292-Q373 HydrophobicContact CG1-CB 3.9Å; I292-Q373 HydrophobicContact CG1-CG 4.19Å; T295-Q373 PolarHBondContact OG1-NE2 3.26Å; K369-Q373 WeakPolarHBondContact O-CG 3.48Å; K369-Q373 PolarHBondContact O-N 2.9Å; Y370-Q373 PolarHBondContact O-N 3.48Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 PolarHBondContact O-N 3.35Å
374	L	86.8	Confident	86.2	Confident	27 Å²	27	37.8 Å²	37.8	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-74.7	-30.5	178.3	-68.5	168.4	0	0	0	112.5	Y370 L372 L377 L378 V391 A394 L395 M398	Y370-L374 WeakPolarHBondContact O-CB 3.44Å; Y370-L374 VanDerWaalsContact O-CG 3.3Å; Y370-L374 WeakPolarHBondContact O-CG 3.44Å; Y370-L374 PolarHBondContact O-N 3.42Å; L372-L374 VanDerWaalsContact C-N 3.34Å; L372-L374 PolarHBondContact O-N 3.41Å; L374-L377 HydrophobicContact CD2-CD2 4.43Å; L374-L378 VanDerWaalsContact O-CB 3.32Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.32Å; L374-V391 HydrophobicContact CD2-CG1 4.43Å; L374-A394 HydrophobicContact CD1-CB 4.04Å; L374-A394 HydrophobicContact CD2-CB 4.42Å; L374-L395 HydrophobicContact CB-CB 4.02Å; L374-L395 HydrophobicContact CB-CD1 3.94Å; L374-M398 HydrophobicContact CD1-CB 4.11Å; L374-M398 HydrophobicContact CD1-CG 3.69Å
375	A	86.6	Confident	86.8	Confident	30 Å²	30	40.3 Å²	40.3	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-44.5	173.1	0	0	0	0	0	111.7	P371 L372 L378 K379 L395	P371-A375 VanDerWaalsContact O-CB 3.26Å; P371-A375 WeakPolarHBondContact O-CB 3.3Å; P371-A375 PolarHBondContact O-N 3.01Å; L372-A375 PolarHBondContact O-N 3.32Å; A375-L378 PolarHBondContact O-N 2.98Å; A375-K379 PolarHBondContact O-N 2.71Å; A375-L395 HydrophobicContact CB-CD1 3.99Å; A375-L395 HydrophobicContact CB-CD2 4.18Å
376	E	88	Confident	87.4	Confident	17 Å²	17	48.3 Å²	48.3	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-40	176	-160.2	174.6	-162.2	0	0	111.2	R249 V252 N253 V288 L372 L378 K379 Y380	R249-E376 IonicContact CZ-OE2 2.6Å; R249-E376 IonicContact NH1-OE2 2.81Å; R249-E376 PolarHBondContact NH1-OE2 2.85Å; R249-E376 IonicContact NH2-OE2 2.73Å; R249-E376 PolarHBondContact NH2-OE2 3.33Å; V252-E376 WeakPolarHBondContact CB-OE1 3.26Å; V252-E376 PolarHBondContact N-OE1 3.33Å; N253-E376 PolarHBondContact N-OE1 3.47Å; V288-E376 HydrophobicContact CG1-CB 4.42Å; V288-E376 HydrophobicContact CG2-CB 4.45Å; V288-E376 HydrophobicContact CG2-CG 3.82Å; L372-E376 PolarHBondContact O-N 3.17Å; E376-L378 VanDerWaalsContact C-N 3.33Å; E376-L378 PolarHBondContact O-N 3Å; E376-K379 WeakPolarHBondContact O-CB 3.45Å; E376-K379 PolarHBondContact O-N 3.23Å; E376-Y380 HydrophobicContact CG-CD2 4.45Å; E376-Y380 HydrophobicContact CG-CE2 4.23Å; E376-Y380 VanDerWaalsContact O-CD2 3.28Å; E376-Y380 WeakPolarHBondContact O-CD2 3.23Å; E376-Y380 PolarHBondContact O-N 3.19Å
377	L	89.8	Confident	87.4	Confident	16 Å²	16	49.6 Å²	49.6	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-39.3	173.2	-177.8	60.9	0	0	0	112.2	R285 V288 I289 I292 Q373 L374 T381 V391	R285-L377 HydrophobicContact CG-CD1 3.94Å; V288-L377 HydrophobicContact CG1-CB 3.92Å; V288-L377 HydrophobicContact CG1-CD1 4.37Å; I289-L377 HydrophobicContact CD1-CD1 4.22Å; I289-L377 HydrophobicContact CG1-CD1 3.71Å; I292-L377 HydrophobicContact CD1-CB 4.47Å; I292-L377 HydrophobicContact CD1-CD2 4.24Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 PolarHBondContact O-N 3.35Å; L374-L377 HydrophobicContact CD2-CD2 4.43Å; L377-T381 WeakPolarHBondContact O-CB 3.49Å; L377-T381 PolarHBondContact O-N 2.9Å; L377-T381 PolarHBondContact O-OG1 3.41Å; L377-V391 HydrophobicContact CB-CG1 4.3Å; L377-V391 HydrophobicContact CD2-CG1 4.1Å; L377-V391 HydrophobicContact CD2-CG2 3.87Å; L377-V391 HydrophobicContact CG-CG1 4.09Å; L377-V391 HydrophobicContact CG-CG2 4.32Å
378	L	88.5	Confident	87.7	Confident	31 Å²	31	51.4 Å²	51.4	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-40.5	177.5	-168.4	62.8	0	0	0	111.6	L374 A375 E376 Y380 T381 F388 V391 E392 L395	L374-L378 VanDerWaalsContact O-CB 3.32Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.32Å; A375-L378 PolarHBondContact O-N 2.98Å; E376-L378 VanDerWaalsContact C-N 3.33Å; E376-L378 PolarHBondContact O-N 3Å; L378-Y380 PolarHBondContact O-N 3.11Å; L378-T381 PolarHBondContact O-N 2.98Å; L378-F388 HydrophobicContact CD1-CD2 3.7Å; L378-F388 HydrophobicContact CD1-CE1 4.46Å; L378-F388 HydrophobicContact CD1-CE2 3.54Å; L378-F388 HydrophobicContact CD1-CG 4.25Å; L378-F388 HydrophobicContact CD1-CZ 3.95Å; L378-F388 HydrophobicContact CG-CE2 4.28Å; L378-V391 HydrophobicContact CB-CG1 3.94Å; L378-V391 HydrophobicContact CD1-CB 4.27Å; L378-V391 HydrophobicContact CD1-CG1 4.05Å; L378-E392 HydrophobicContact CD1-CB 4.21Å; L378-E392 HydrophobicContact CD2-CB 4.23Å; L378-E392 HydrophobicContact CD2-CG 4.49Å; L378-L395 HydrophobicContact CB-CD2 4.5Å; L378-L395 HydrophobicContact CD2-CD2 3.7Å
379	K	90.6	Very high	88	Confident	115 Å²	115	58.7 Å²	58.7	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-53.5	-40.6	176	-175.5	-175.2	176.4	-167.6	0	112.3	E256 A375 E376	E256-K379 IonicContact OE1-NZ 3.79Å; E256-K379 PolarHBondContact OE1-NZ 3.12Å; E256-K379 WeakPolarHBondContact OE2-CE 3.45Å; E256-K379 IonicContact OE2-NZ 2.79Å; E256-K379 PolarHBondContact OE2-NZ 2.88Å; A375-K379 PolarHBondContact O-N 2.71Å; E376-K379 WeakPolarHBondContact O-CB 3.45Å; E376-K379 PolarHBondContact O-N 3.23Å
380	Y	90.8	Very high	88	Confident	13 Å²	13	60.9 Å²	60.9	5%	0.051	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15.1	179.5	-58.8	-70.6	0	0	0	113.7	N253 E256 M284 R285 V288 E376 L378	N253-Y380 WeakPolarHBondContact ND2-CE2 3.17Å; E256-Y380 PolarHBondContact OE1-OH 2.89Å; M284-Y380 HydrophobicContact CB-CD1 3.66Å; M284-Y380 HydrophobicContact CB-CD2 4.32Å; M284-Y380 HydrophobicContact CB-CE1 3.97Å; M284-Y380 HydrophobicContact CB-CG 3.88Å; M284-Y380 HydrophobicContact CG-CD1 4.39Å; M284-Y380 HydrophobicContact CG-CE1 4.26Å; M284-Y380 HydrophobicContact SD-CD1 3.86Å; M284-Y380 HydrophobicContact SD-CE1 3.35Å; M284-Y380 WeakPolarHBondContact SD-CE1 3.49Å; R285-Y380 WeakPolarHBondContact CB-O 3.47Å; R285-Y380 WeakPolarHBondContact CD-O 3.31Å; R285-Y380 WeakPolarHBondContact CG-O 3.43Å; V288-Y380 HydrophobicContact CG2-CD2 4.49Å; E376-Y380 HydrophobicContact CG-CD2 4.45Å; E376-Y380 HydrophobicContact CG-CE2 4.23Å; E376-Y380 VanDerWaalsContact O-CD2 3.28Å; E376-Y380 WeakPolarHBondContact O-CD2 3.23Å; E376-Y380 PolarHBondContact O-N 3.19Å; L378-Y380 PolarHBondContact O-N 3.11Å
381	T	88.5	Confident	87.8	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.031	29%	0.29	C	S	.	.	S	Bend	trans	-109.2	117.8	172.8	-60.8	0	0	0	0	109.9	R285 L377 L378 H385 F388	R285-T381 PolarHBondContact NE-OG1 3.29Å; L377-T381 WeakPolarHBondContact O-CB 3.49Å; L377-T381 PolarHBondContact O-N 2.9Å; L377-T381 PolarHBondContact O-OG1 3.41Å; L378-T381 PolarHBondContact O-N 2.98Å; T381-H385 HydrophobicContact CG2-CB 3.73Å; T381-F388 HydrophobicContact CG2-CB 4.08Å; T381-F388 HydrophobicContact CG2-CD2 4.07Å; T381-F388 VanDerWaalsContact O-CD2 3.25Å; T381-F388 WeakPolarHBondContact O-CD2 3.42Å; T381-F388 WeakPolarHBondContact O-CE2 3.48Å
382	H	90.3	Very high	87.8	Confident	90 Å²	90	64.7 Å²	64.7	42%	0.417	31%	0.309	S	S	.	.			trans	-64.1	142.4	179.7	-177.1	-117	0	0	0	112	Q384 H385	H382-Q384 PolarHBondContact O-N 3.28Å; H382-H385 WeakPolarHBondContact O-CB 3.33Å; H382-H385 PolarHBondContact O-N 3.28Å
383	P	91.7	Very high	87.4	Confident	90 Å²	90	66.9 Å²	66.9	58%	0.584	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.3	-177.5	-29.8	37.8	0	0	0	116.8	F388	P383-F388 HydrophobicContact CB-CE2 4.32Å; P383-F388 HydrophobicContact CB-CZ 4.33Å; P383-F388 HydrophobicContact CG-CE2 4.06Å; P383-F388 HydrophobicContact CG-CZ 4.24Å
384	Q	90.6	Very high	87.2	Confident	170 Å²	170	68.5 Å²	68.5	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.1	174.2	-56	178.6	15.1	0	0	113.3	H382	H382-Q384 PolarHBondContact O-N 3.28Å
385	H	91.7	Very high	87	Confident	66 Å²	66	67.9 Å²	67.9	31%	0.306	34%	0.34	S	S	.	.	S	Bend	trans	-69.5	136.3	177.7	-172.3	-87.4	0	0	0	110.2	R285 T381 H382 D387 F388	R285-H385 PolarHBondContact NH1-CE1 2.9Å; R285-H385 PolarHBondContact NH2-CE1 3.44Å; T381-H385 HydrophobicContact CG2-CB 3.73Å; H382-H385 WeakPolarHBondContact O-CB 3.33Å; H382-H385 PolarHBondContact O-N 3.28Å; H385-D387 VanDerWaalsContact CE1-CG 3.41Å; H385-D387 IonicContact CE1-OD1 3.27Å; H385-D387 IonicContact CE1-OD2 2.86Å; H385-D387 PolarHBondContact CE1-OD2 3.33Å; H385-D387 PolarHBondContact ND1-N 3.03Å; H385-D387 IonicContact ND1-OD2 3.78Å; H385-D387 PolarHBondContact O-N 3.44Å; H385-D387 VanDerWaalsContact O-N 3.11Å; H385-F388 VanDerWaalsContact O-CB 3.24Å; H385-F388 WeakPolarHBondContact O-CB 3.36Å; H385-F388 PolarHBondContact O-N 3.01Å
386	R	92.2	Very high	86.7	Confident	210 Å²	210	72.2 Å²	72.2	79%	0.792	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-40.3	-172.7	81.3	-174.2	-170.8	-160.2	-7.4	113.1	F388	R386-F388 VanDerWaalsContact C-N 3.28Å; R386-F388 PolarHBondContact O-N 3.5Å
387	D	85.4	Confident	86.2	Confident	36 Å²	36	73.7 Å²	73.7	19%	0.193	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.4	-176.8	-52.1	-12.9	0	0	0	112.9	R285 H385 K389 D390 V391	R285-D387 IonicContact CZ-OD2 2.69Å; R285-D387 IonicContact NH1-OD2 3.32Å; R285-D387 IonicContact NH2-OD2 2.67Å; R285-D387 PolarHBondContact NH2-OD2 2.89Å; H385-D387 VanDerWaalsContact CE1-CG 3.41Å; H385-D387 IonicContact CE1-OD1 3.27Å; H385-D387 IonicContact CE1-OD2 2.86Å; H385-D387 PolarHBondContact CE1-OD2 3.33Å; H385-D387 PolarHBondContact ND1-N 3.03Å; H385-D387 IonicContact ND1-OD2 3.78Å; H385-D387 PolarHBondContact O-N 3.44Å; H385-D387 VanDerWaalsContact O-N 3.11Å; D387-K389 PolarHBondContact O-N 3.27Å; D387-D390 PolarHBondContact O-N 2.89Å; D387-D390 VanDerWaalsContact O-N 3.13Å; D387-V391 HydrophobicContact CB-CG2 4.27Å; D387-V391 WeakPolarHBondContact O-CG2 3.5Å; D387-V391 PolarHBondContact O-N 3.03Å
388	F	88.3	Confident	85.8	Confident	39 Å²	39	73.5 Å²	73.5	17%	0.171	37%	0.369	C	S	.	.	H	α-helix	trans	-56.4	-49.9	-166.7	-179.1	-89.5	0	0	0	112.9	L378 T381 P383 H385 R386 D390 V391 E392	L378-F388 HydrophobicContact CD1-CD2 3.7Å; L378-F388 HydrophobicContact CD1-CE1 4.46Å; L378-F388 HydrophobicContact CD1-CE2 3.54Å; L378-F388 HydrophobicContact CD1-CG 4.25Å; L378-F388 HydrophobicContact CD1-CZ 3.95Å; L378-F388 HydrophobicContact CG-CE2 4.28Å; T381-F388 HydrophobicContact CG2-CB 4.08Å; T381-F388 HydrophobicContact CG2-CD2 4.07Å; T381-F388 VanDerWaalsContact O-CD2 3.25Å; T381-F388 WeakPolarHBondContact O-CD2 3.42Å; T381-F388 WeakPolarHBondContact O-CE2 3.48Å; P383-F388 HydrophobicContact CB-CE2 4.32Å; P383-F388 HydrophobicContact CB-CZ 4.33Å; P383-F388 HydrophobicContact CG-CE2 4.06Å; P383-F388 HydrophobicContact CG-CZ 4.24Å; H385-F388 VanDerWaalsContact O-CB 3.24Å; H385-F388 WeakPolarHBondContact O-CB 3.36Å; H385-F388 PolarHBondContact O-N 3.01Å; R386-F388 VanDerWaalsContact C-N 3.28Å; R386-F388 PolarHBondContact O-N 3.5Å; F388-D390 VanDerWaalsContact C-N 3.31Å; F388-D390 PolarHBondContact O-N 3.41Å; F388-V391 PolarHBondContact O-N 3.38Å; F388-E392 WeakPolarHBondContact O-CB 3.36Å; F388-E392 PolarHBondContact O-N 3.1Å
389	K	86	Confident	85.4	Confident	158 Å²	158	76.3 Å²	76.3	69%	0.687	38%	0.38	S	S	*	.	H	α-helix	trans	-66.5	-33.6	-179.8	-64.7	-173.9	178.2	-175.7	0	112.6	D387 A393	D387-K389 PolarHBondContact O-N 3.27Å; K389-A393 VanDerWaalsContact O-CB 3.26Å; K389-A393 WeakPolarHBondContact O-CB 3.45Å; K389-A393 PolarHBondContact O-N 2.88Å
390	D	82.1	Confident	84.8	Confident	115 Å²	115	74.2 Å²	74.2	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-73	-38.5	179.2	-61.6	-23.4	0	0	0	110.7	D387 F388 A394	D387-D390 PolarHBondContact O-N 2.89Å; D387-D390 VanDerWaalsContact O-N 3.13Å; F388-D390 VanDerWaalsContact C-N 3.31Å; F388-D390 PolarHBondContact O-N 3.41Å; D390-A394 WeakPolarHBondContact O-CB 3.41Å; D390-A394 PolarHBondContact O-N 2.8Å
391	V	81.9	Confident	84.1	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-67.9	-40.5	173	176.8	0	0	0	0	111.1	L374 L377 L378 D387 F388 A394 L395	L374-V391 HydrophobicContact CD2-CG1 4.43Å; L377-V391 HydrophobicContact CB-CG1 4.3Å; L377-V391 HydrophobicContact CD2-CG1 4.1Å; L377-V391 HydrophobicContact CD2-CG2 3.87Å; L377-V391 HydrophobicContact CG-CG1 4.09Å; L377-V391 HydrophobicContact CG-CG2 4.32Å; L378-V391 HydrophobicContact CB-CG1 3.94Å; L378-V391 HydrophobicContact CD1-CB 4.27Å; L378-V391 HydrophobicContact CD1-CG1 4.05Å; D387-V391 HydrophobicContact CB-CG2 4.27Å; D387-V391 WeakPolarHBondContact O-CG2 3.5Å; D387-V391 PolarHBondContact O-N 3.03Å; F388-V391 PolarHBondContact O-N 3.38Å; V391-A394 PolarHBondContact O-N 3.47Å; V391-L395 WeakPolarHBondContact O-CB 3.23Å; V391-L395 PolarHBondContact O-N 3.17Å
392	E	83.4	Confident	83.4	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-47.4	174.3	-178.7	176.9	-130.1	0	0	112	L378 F388 L395 H396	L378-E392 HydrophobicContact CD1-CB 4.21Å; L378-E392 HydrophobicContact CD2-CB 4.23Å; L378-E392 HydrophobicContact CD2-CG 4.49Å; F388-E392 WeakPolarHBondContact O-CB 3.36Å; F388-E392 PolarHBondContact O-N 3.1Å; E392-L395 PolarHBondContact O-N 2.76Å; E392-H396 PolarHBondContact O-N 2.73Å
393	A	75.7	Confident	82.7	Confident	60 Å²	60	77.5 Å²	77.5	50%	0.496	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.5	0	0	0	0	0	112.3	K389 H396 A397	K389-A393 VanDerWaalsContact O-CB 3.26Å; K389-A393 WeakPolarHBondContact O-CB 3.45Å; K389-A393 PolarHBondContact O-N 2.88Å; A393-H396 PolarHBondContact O-N 2.83Å; A393-A397 WeakPolarHBondContact O-CB 3.24Å; A393-A397 PolarHBondContact O-N 3.49Å
394	A	82.6	Confident	81.8	Confident	36 Å²	36	75.6 Å²	75.6	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-41.5	175	0	0	0	0	0	111.8	L374 D390 V391 H396 A397 M398	L374-A394 HydrophobicContact CD1-CB 4.04Å; L374-A394 HydrophobicContact CD2-CB 4.42Å; D390-A394 WeakPolarHBondContact O-CB 3.41Å; D390-A394 PolarHBondContact O-N 2.8Å; V391-A394 PolarHBondContact O-N 3.47Å; A394-H396 VanDerWaalsContact C-N 3.33Å; A394-H396 PolarHBondContact O-N 3.47Å; A394-A397 PolarHBondContact O-N 2.83Å; A394-M398 WeakPolarHBondContact O-CB 3.39Å; A394-M398 WeakPolarHBondContact O-CG 3.32Å; A394-M398 PolarHBondContact O-N 3.1Å
395	L	81.5	Confident	81	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-44.7	175.1	174.8	57.6	0	0	0	111.3	P371 L374 A375 L378 V391 E392 K399	P371-L395 WeakPolarHBondContact O-CD1 3.36Å; L374-L395 HydrophobicContact CB-CB 4.02Å; L374-L395 HydrophobicContact CB-CD1 3.94Å; A375-L395 HydrophobicContact CB-CD1 3.99Å; A375-L395 HydrophobicContact CB-CD2 4.18Å; L378-L395 HydrophobicContact CB-CD2 4.5Å; L378-L395 HydrophobicContact CD2-CD2 3.7Å; V391-L395 WeakPolarHBondContact O-CB 3.23Å; V391-L395 PolarHBondContact O-N 3.17Å; E392-L395 PolarHBondContact O-N 2.76Å; L395-K399 HydrophobicContact CD1-CD 4.05Å; L395-K399 HydrophobicContact CD1-CG 4.28Å; L395-K399 HydrophobicContact CG-CD 4.25Å; L395-K399 WeakPolarHBondContact O-CB 3.1Å; L395-K399 VanDerWaalsContact O-CG 3.3Å; L395-K399 WeakPolarHBondContact O-CG 3.25Å; L395-K399 PolarHBondContact O-N 3.15Å
396	H	80.1	Confident	80.2	Confident	120 Å²	120	67.2 Å²	67.2	56%	0.556	34%	0.342	S	S	*	.	H	α-helix	trans	-63.6	-48.6	175.8	-176.5	69.8	0	0	0	111.6	E392 A393 A394 M398 K399 N400	E392-H396 PolarHBondContact O-N 2.73Å; A393-H396 PolarHBondContact O-N 2.83Å; A394-H396 VanDerWaalsContact C-N 3.33Å; A394-H396 PolarHBondContact O-N 3.47Å; H396-M398 PolarHBondContact O-N 2.99Å; H396-K399 PolarHBondContact O-N 2.77Å; H396-N400 PolarHBondContact CD2-ND2 3.15Å; H396-N400 PolarHBondContact NE2-ND2 2.88Å; H396-N400 PolarHBondContact O-N 2.72Å; H396-N400 PolarHBondContact O-ND2 3.46Å; H396-N400 PolarHBondContact O-OD1 3.22Å
397	A	77.9	Confident	79.3	Confident	48 Å²	48	58.8 Å²	58.8	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-46.3	177.4	0	0	0	0	0	112.7	A393 A394 N400 V401	A393-A397 WeakPolarHBondContact O-CB 3.24Å; A393-A397 PolarHBondContact O-N 3.49Å; A394-A397 PolarHBondContact O-N 2.83Å; A397-N400 WeakPolarHBondContact O-CB 3.36Å; A397-N400 PolarHBondContact O-N 2.86Å; A397-V401 WeakPolarHBondContact O-CG2 3.32Å; A397-V401 PolarHBondContact O-N 2.89Å
398	M	81.8	Confident	78.7	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-71.1	-32.4	180	-63	-48.3	-69	0	0	112.6	F312 I367 Y370 P371 L374 A394 H396 N400 V401 A402	F312-M398 HydrophobicContact CD1-CE 3.87Å; F312-M398 HydrophobicContact CD2-CE 3.98Å; F312-M398 HydrophobicContact CD2-SD 3.77Å; F312-M398 HydrophobicContact CE1-CE 3.8Å; F312-M398 HydrophobicContact CE2-CE 3.92Å; F312-M398 HydrophobicContact CE2-SD 3.7Å; F312-M398 HydrophobicContact CG-CE 3.96Å; F312-M398 HydrophobicContact CG-SD 4.29Å; F312-M398 HydrophobicContact CZ-CE 3.82Å; F312-M398 HydrophobicContact CZ-SD 4.17Å; I367-M398 HydrophobicContact CD1-CE 3.75Å; Y370-M398 HydrophobicContact CD2-CE 3.5Å; Y370-M398 HydrophobicContact CE2-CE 4.29Å; Y370-M398 HydrophobicContact CG-CE 3.8Å; P371-M398 HydrophobicContact CG-CB 4.2Å; L374-M398 HydrophobicContact CD1-CB 4.11Å; L374-M398 HydrophobicContact CD1-CG 3.69Å; A394-M398 WeakPolarHBondContact O-CB 3.39Å; A394-M398 WeakPolarHBondContact O-CG 3.32Å; A394-M398 PolarHBondContact O-N 3.1Å; H396-M398 PolarHBondContact O-N 2.99Å; M398-N400 VanDerWaalsContact C-N 3.33Å; M398-V401 PolarHBondContact O-N 3.34Å; M398-A402 WeakPolarHBondContact O-CB 3.33Å; M398-A402 PolarHBondContact O-N 3.11Å
399	K	80.5	Confident	78	Confident	90 Å²	90	61.3 Å²	61.3	39%	0.391	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-43.9	168.8	-81.4	174.7	172	170.2	0	111.2	P371 L395 H396 V401 A402 Q403	P371-K399 HydrophobicContact CB-CG 3.93Å; P371-K399 HydrophobicContact CG-CG 4.48Å; L395-K399 HydrophobicContact CD1-CD 4.05Å; L395-K399 HydrophobicContact CD1-CG 4.28Å; L395-K399 HydrophobicContact CG-CD 4.25Å; L395-K399 WeakPolarHBondContact O-CB 3.1Å; L395-K399 VanDerWaalsContact O-CG 3.3Å; L395-K399 WeakPolarHBondContact O-CG 3.25Å; L395-K399 PolarHBondContact O-N 3.15Å; H396-K399 PolarHBondContact O-N 2.77Å; K399-V401 PolarHBondContact O-N 2.54Å; K399-A402 PolarHBondContact O-N 2.79Å; K399-Q403 WeakPolarHBondContact O-CB 3.46Å; K399-Q403 VanDerWaalsContact O-CG 3.28Å; K399-Q403 WeakPolarHBondContact O-CG 3.48Å; K399-Q403 PolarHBondContact O-N 3.03Å
400	N	77.3	Confident	77.5	Confident	71 Å²	71	56.5 Å²	56.5	38%	0.38	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-38.8	178.2	-60.6	-10.7	0	0	0	111.8	H396 A397 M398 L404	H396-N400 PolarHBondContact CD2-ND2 3.15Å; H396-N400 PolarHBondContact NE2-ND2 2.88Å; H396-N400 PolarHBondContact O-N 2.72Å; H396-N400 PolarHBondContact O-ND2 3.46Å; H396-N400 PolarHBondContact O-OD1 3.22Å; A397-N400 WeakPolarHBondContact O-CB 3.36Å; A397-N400 PolarHBondContact O-N 2.86Å; M398-N400 VanDerWaalsContact C-N 3.33Å; N400-L404 WeakPolarHBondContact O-CB 3.48Å; N400-L404 PolarHBondContact O-N 2.84Å
401	V	76.9	Confident	77.2	Confident	32 Å²	32	51.2 Å²	51.2	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-45.8	174.7	175.2	0	0	0	0	111.9	F312 I367 A397 M398 K399 L404 I405	F312-V401 HydrophobicContact CB-CG1 4.38Å; F312-V401 HydrophobicContact CB-CG2 4.5Å; I367-V401 HydrophobicContact CD1-CG1 3.93Å; I367-V401 HydrophobicContact CG1-CG1 3.87Å; A397-V401 WeakPolarHBondContact O-CG2 3.32Å; A397-V401 PolarHBondContact O-N 2.89Å; M398-V401 PolarHBondContact O-N 3.34Å; K399-V401 PolarHBondContact O-N 2.54Å; V401-L404 PolarHBondContact O-N 2.84Å; V401-I405 HydrophobicContact CG1-CD1 3.97Å; V401-I405 WeakPolarHBondContact O-CG1 3.48Å; V401-I405 PolarHBondContact O-N 2.86Å
402	A	73.9	Confident	76.7	Confident	16 Å²	16	52.6 Å²	52.6	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-41.2	177.9	0	0	0	0	0	111.9	P371 M398 K399 I405 N406	P371-A402 HydrophobicContact CG-CB 3.94Å; M398-A402 WeakPolarHBondContact O-CB 3.33Å; M398-A402 PolarHBondContact O-N 3.11Å; K399-A402 PolarHBondContact O-N 2.79Å; A402-I405 PolarHBondContact O-N 2.94Å; A402-N406 WeakPolarHBondContact O-CB 3.3Å; A402-N406 PolarHBondContact O-N 3.07Å
403	Q	74.4	Confident	76.2	Confident	128 Å²	128	52.5 Å²	52.5	60%	0.598	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-46.9	173.2	-75	176.3	3.1	0	0	111.9	K399 I405 N406 E407	K399-Q403 WeakPolarHBondContact O-CB 3.46Å; K399-Q403 VanDerWaalsContact O-CG 3.28Å; K399-Q403 WeakPolarHBondContact O-CG 3.48Å; K399-Q403 PolarHBondContact O-N 3.03Å; Q403-I405 VanDerWaalsContact C-N 3.3Å; Q403-I405 PolarHBondContact O-N 3.08Å; Q403-N406 PolarHBondContact O-N 3.36Å; Q403-E407 WeakPolarHBondContact O-CB 3.33Å; Q403-E407 PolarHBondContact O-N 3.45Å
404	L	73.4	Confident	76.4	Confident	50 Å²	50	50.4 Å²	50.4	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-42	177.4	179.9	65.3	0	0	0	111.8	N400 V401 R408 T554	N400-L404 WeakPolarHBondContact O-CB 3.48Å; N400-L404 PolarHBondContact O-N 2.84Å; V401-L404 PolarHBondContact O-N 2.84Å; L404-R408 VanDerWaalsContact O-CB 3.31Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 PolarHBondContact O-N 3.17Å; L404-T554 HydrophobicContact CD1-CG2 4.39Å; L404-T554 HydrophobicContact CD2-CG2 4.31Å
405	I	75	Confident	76.6	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-45.8	178.9	-70.5	172.1	0	0	0	111.5	W203 C319 I367 V401 A402 Q403 E407 R408 K409	W203-I405 HydrophobicContact CH2-CG2 4.15Å; C319-I405 HydrophobicContact CB-CG2 3.62Å; I367-I405 HydrophobicContact CB-CD1 4.3Å; I367-I405 HydrophobicContact CG1-CD1 3.62Å; I367-I405 HydrophobicContact CG2-CD1 3.74Å; V401-I405 HydrophobicContact CG1-CD1 3.97Å; V401-I405 WeakPolarHBondContact O-CG1 3.48Å; V401-I405 PolarHBondContact O-N 2.86Å; A402-I405 PolarHBondContact O-N 2.94Å; Q403-I405 VanDerWaalsContact C-N 3.3Å; Q403-I405 PolarHBondContact O-N 3.08Å; I405-E407 VanDerWaalsContact C-N 3.32Å; I405-E407 PolarHBondContact O-N 2.85Å; I405-R408 PolarHBondContact O-N 2.86Å; I405-K409 PolarHBondContact O-N 3.31Å
406	N	74.1	Confident	76.6	Confident	56 Å²	56	51 Å²	51	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-41.6	177.1	-169.5	31.2	0	0	0	111.5	W203 A402 Q403 K409 R410	W203-N406 HydrophobicContact CZ3-CB 3.92Å; A402-N406 WeakPolarHBondContact O-CB 3.3Å; A402-N406 PolarHBondContact O-N 3.07Å; Q403-N406 PolarHBondContact O-N 3.36Å; N406-K409 PolarHBondContact O-N 3.12Å; N406-R410 WeakPolarHBondContact O-CB 3.48Å; N406-R410 PolarHBondContact O-N 2.93Å
407	E	72.8	Confident	76.9	Confident	34 Å²	34	48.9 Å²	48.9	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-44	175.9	179.6	49.7	-142.5	0	0	111.9	Q403 I405 K409 R410 R411	Q403-E407 WeakPolarHBondContact O-CB 3.33Å; Q403-E407 PolarHBondContact O-N 3.45Å; I405-E407 VanDerWaalsContact C-N 3.32Å; I405-E407 PolarHBondContact O-N 2.85Å; E407-K409 VanDerWaalsContact C-N 3.33Å; E407-K409 PolarHBondContact O-N 3.44Å; E407-R410 WeakPolarHBondContact O-CB 3.47Å; E407-R410 PolarHBondContact O-N 3.48Å; E407-R410 IonicContact OE1-CZ 2.7Å; E407-R410 IonicContact OE1-NE 4Å; E407-R410 IonicContact OE1-NH2 3.83Å; E407-R410 PolarHBondContact OE1-NH2 3.26Å; E407-R410 IonicContact OE2-CZ 3.32Å; E407-R410 VanDerWaalsContact OE2-CZ 3.23Å; E407-R410 IonicContact OE2-NE 3.53Å; E407-R410 PolarHBondContact OE2-NE 3.11Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 3.37Å; E407-R411 WeakPolarHBondContact O-CB 3.49Å; E407-R411 WeakPolarHBondContact O-CD 3.39Å; E407-R411 VanDerWaalsContact O-CG 3.31Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.32Å; E407-R411 VanDerWaalsContact OE1-CD 3.27Å; E407-R411 WeakPolarHBondContact OE1-CD 3.36Å; E407-R411 VanDerWaalsContact OE1-CG 3.27Å; E407-R411 WeakPolarHBondContact OE1-CG 3.19Å; E407-R411 IonicContact OE1-CZ 3.46Å; E407-R411 IonicContact OE1-NE 3.85Å; E407-R411 PolarHBondContact OE1-NE 3.14Å
408	R	73	Confident	77.5	Confident	44 Å²	44	47 Å²	47	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-36.3	178.1	-146	170.5	177.5	156.1	10.4	112.2	S316 N320 L404 I405 L412 F556	S316-R408 WeakPolarHBondContact OG-CD 3.49Å; S316-R408 PolarHBondContact OG-NH1 2.76Å; N320-R408 VanDerWaalsContact ND2-CD 3.32Å; N320-R408 WeakPolarHBondContact ND2-CD 3.36Å; N320-R408 PolarHBondContact ND2-NE 3.28Å; N320-R408 WeakPolarHBondContact OD1-CD 3.29Å; N320-R408 WeakPolarHBondContact OD1-CG 3.46Å; L404-R408 VanDerWaalsContact O-CB 3.31Å; L404-R408 WeakPolarHBondContact O-CB 3.26Å; L404-R408 PolarHBondContact O-N 3.17Å; I405-R408 PolarHBondContact O-N 2.86Å; R408-L412 WeakPolarHBondContact O-CG 3.26Å; R408-L412 PolarHBondContact O-N 3.42Å; R408-F556 HydrophobicContact CG-CD2 3.88Å; R408-F556 HydrophobicContact CG-CE2 3.62Å
409	K	72.8	Confident	78	Confident	84 Å²	84	46.4 Å²	46.4	37%	0.365	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-51.2	168.8	179.7	-173.5	170	-170.3	0	111.6	I405 N406 E407 R411 L412 E413	I405-K409 PolarHBondContact O-N 3.31Å; N406-K409 PolarHBondContact O-N 3.12Å; E407-K409 VanDerWaalsContact C-N 3.33Å; E407-K409 PolarHBondContact O-N 3.44Å; K409-R411 PolarHBondContact O-N 2.7Å; K409-L412 WeakPolarHBondContact O-CB 3.5Å; K409-L412 PolarHBondContact O-N 3.01Å; K409-L412 VanDerWaalsContact O-N 3.14Å; K409-E413 WeakPolarHBondContact CE-OE1 3.39Å; K409-E413 PolarHBondContact O-N 2.99Å; K409-E413 VanDerWaalsContact O-N 3.1Å
410	R	76.9	Confident	78.3	Confident	56 Å²	56	45.1 Å²	45.1	21%	0.211	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-38.4	178.3	-170	-174.2	71	97.6	3.9	112.1	N406 E407 E413 N414 E439	N406-R410 WeakPolarHBondContact O-CB 3.48Å; N406-R410 PolarHBondContact O-N 2.93Å; E407-R410 WeakPolarHBondContact O-CB 3.47Å; E407-R410 PolarHBondContact O-N 3.48Å; E407-R410 IonicContact OE1-CZ 2.7Å; E407-R410 IonicContact OE1-NE 4Å; E407-R410 IonicContact OE1-NH2 3.83Å; E407-R410 PolarHBondContact OE1-NH2 3.26Å; E407-R410 IonicContact OE2-CZ 3.32Å; E407-R410 VanDerWaalsContact OE2-CZ 3.23Å; E407-R410 IonicContact OE2-NE 3.53Å; E407-R410 PolarHBondContact OE2-NE 3.11Å; E407-R410 IonicContact OE2-NH2 2.73Å; E407-R410 PolarHBondContact OE2-NH2 3.37Å; R410-E413 PolarHBondContact O-N 3.02Å; R410-N414 WeakPolarHBondContact O-CB 3.39Å; R410-N414 PolarHBondContact O-N 3.5Å; R410-N414 VanDerWaalsContact O-N 3.1Å; R410-N414 PolarHBondContact O-ND2 3.13Å; R410-E439 IonicContact CZ-OE1 3.55Å; R410-E439 IonicContact NH1-OE1 2.71Å; R410-E439 IonicContact NH2-OE1 2.75Å; R410-E439 PolarHBondContact NH2-OE1 2.77Å; R410-E439 IonicContact NH2-OE2 3.73Å
411	R	74.4	Confident	79	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-49.3	174.7	-77.3	162.5	164.1	-120.3	-24.7	112.4	E407 K409 E413 N414 I415 E439 D551 F556	E407-R411 WeakPolarHBondContact O-CB 3.49Å; E407-R411 WeakPolarHBondContact O-CD 3.39Å; E407-R411 VanDerWaalsContact O-CG 3.31Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.32Å; E407-R411 VanDerWaalsContact OE1-CD 3.27Å; E407-R411 WeakPolarHBondContact OE1-CD 3.36Å; E407-R411 VanDerWaalsContact OE1-CG 3.27Å; E407-R411 WeakPolarHBondContact OE1-CG 3.19Å; E407-R411 IonicContact OE1-CZ 3.46Å; E407-R411 IonicContact OE1-NE 3.85Å; E407-R411 PolarHBondContact OE1-NE 3.14Å; K409-R411 PolarHBondContact O-N 2.7Å; R411-E413 VanDerWaalsContact C-N 3.29Å; R411-E413 PolarHBondContact O-N 2.73Å; R411-N414 WeakPolarHBondContact O-CA 3.46Å; R411-N414 WeakPolarHBondContact O-CB 3.32Å; R411-N414 PolarHBondContact O-N 2.75Å; R411-I415 WeakPolarHBondContact O-CG1 3.37Å; R411-I415 PolarHBondContact O-N 3.15Å; R411-E439 IonicContact CZ-OE2 3.8Å; R411-E439 IonicContact NE-OE2 2.77Å; R411-E439 IonicContact NH2-OE2 3.6Å; R411-E439 PolarHBondContact NH2-OE2 3.37Å; R411-D551 IonicContact CZ-OD1 3.81Å; R411-D551 IonicContact CZ-OD2 3.36Å; R411-D551 IonicContact NH1-OD1 2.72Å; R411-D551 PolarHBondContact NH1-OD1 3.4Å; R411-D551 IonicContact NH1-OD2 3.4Å; R411-D551 PolarHBondContact NH1-OD2 3.02Å; R411-D551 IonicContact NH2-OD1 3.49Å; R411-D551 IonicContact NH2-OD2 2.7Å; R411-D551 PolarHBondContact NH2-OD2 3.03Å; R411-D551 VanDerWaalsContact NH2-OD2 3.14Å; R411-F556 HydrophobicContact CB-CZ 4.22Å; R411-F556 VanDerWaalsContact NH1-CD1 3.29Å
412	L	71.8	Confident	79.8	Confident	43 Å²	43	41.2 Å²	41.2	23%	0.225	20%	0.195	C	C	.	.	H	α-helix	trans	-54.6	-45.7	175.2	-73.1	162.2	0	0	0	111.6	N320 R408 K409 N414 I415 Q562	N320-L412 HydrophobicContact CB-CD1 4.17Å; R408-L412 WeakPolarHBondContact O-CG 3.26Å; R408-L412 PolarHBondContact O-N 3.42Å; K409-L412 WeakPolarHBondContact O-CB 3.5Å; K409-L412 PolarHBondContact O-N 3.01Å; K409-L412 VanDerWaalsContact O-N 3.14Å; L412-N414 PolarHBondContact O-N 2.87Å; L412-I415 HydrophobicContact CD2-CD1 4.17Å; L412-I415 PolarHBondContact O-N 3.25Å; L412-Q562 VanDerWaalsContact CD2-NE2 3.28Å
413	E	73.8	Confident	80.6	Confident	98 Å²	98	42.5 Å²	42.5	46%	0.458	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-18.3	175.2	-65.7	175.5	-163.6	0	0	114	K409 R410 R411 K417	K409-E413 WeakPolarHBondContact CE-OE1 3.39Å; K409-E413 PolarHBondContact O-N 2.99Å; K409-E413 VanDerWaalsContact O-N 3.1Å; R410-E413 PolarHBondContact O-N 3.02Å; R411-E413 VanDerWaalsContact C-N 3.29Å; R411-E413 PolarHBondContact O-N 2.73Å; E413-K417 VanDerWaalsContact C-NZ 3.35Å; E413-K417 VanDerWaalsContact O-CE 3.23Å; E413-K417 WeakPolarHBondContact O-CE 3.47Å; E413-K417 WeakPolarHBondContact O-CG 3.31Å; E413-K417 PolarHBondContact O-NZ 3.42Å
414	N	80.6	Confident	81.4	Confident	16 Å²	16	39.7 Å²	39.7	9%	0.086	20%	0.197	C	C	.	.	H	α-helix	trans	-90.4	-20.2	179.1	-72.2	-21.3	0	0	0	113.1	R410 R411 L412 D416 K417 I418	R410-N414 WeakPolarHBondContact O-CB 3.39Å; R410-N414 PolarHBondContact O-N 3.5Å; R410-N414 VanDerWaalsContact O-N 3.1Å; R410-N414 PolarHBondContact O-ND2 3.13Å; R411-N414 WeakPolarHBondContact O-CA 3.46Å; R411-N414 WeakPolarHBondContact O-CB 3.32Å; R411-N414 PolarHBondContact O-N 2.75Å; L412-N414 PolarHBondContact O-N 2.87Å; N414-D416 PolarHBondContact O-N 3.03Å; N414-K417 WeakPolarHBondContact O-CA 3.38Å; N414-K417 WeakPolarHBondContact O-CB 3.28Å; N414-K417 PolarHBondContact O-N 3.28Å; N414-K417 PolarHBondContact OD1-NZ 3.22Å; N414-I418 WeakPolarHBondContact O-CG1 3.3Å; N414-I418 PolarHBondContact O-N 3.02Å
415	I	85.1	Confident	82.2	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.046	19%	0.187	C	C	.	.	H	α-helix	trans	-55.8	-50.2	-179	-54	-177.3	0	0	0	111	R411 L412 K417 I418 A419 L434 I558 Q562 A566	R411-I415 WeakPolarHBondContact O-CG1 3.37Å; R411-I415 PolarHBondContact O-N 3.15Å; L412-I415 HydrophobicContact CD2-CD1 4.17Å; L412-I415 PolarHBondContact O-N 3.25Å; I415-K417 VanDerWaalsContact C-N 3.32Å; I415-K417 PolarHBondContact O-N 3.42Å; I415-I418 PolarHBondContact O-N 3.46Å; I415-A419 PolarHBondContact O-N 2.86Å; I415-L434 HydrophobicContact CG2-CD1 3.57Å; I415-L434 HydrophobicContact CG2-CD2 3.84Å; I415-L434 HydrophobicContact CG2-CG 4.34Å; I415-I558 HydrophobicContact CD1-CD1 3.76Å; I415-I558 HydrophobicContact CD1-CG1 3.86Å; I415-I558 HydrophobicContact CD1-CG2 4.06Å; I415-I558 HydrophobicContact CG1-CD1 3.85Å; I415-I558 HydrophobicContact CG1-CG1 4.47Å; I415-Q562 HydrophobicContact CD1-CB 4.41Å; I415-A566 HydrophobicContact CG2-CB 3.6Å
416	D	83.3	Confident	83.1	Confident	56 Å²	56	41.4 Å²	41.4	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-38.7	175.8	-90.2	-52.7	0	0	0	112.4	N414 A419 Q420 A566 N569	N414-D416 PolarHBondContact O-N 3.03Å; D416-A419 PolarHBondContact O-N 2.83Å; D416-Q420 WeakPolarHBondContact O-CB 3.06Å; D416-Q420 WeakPolarHBondContact O-CG 3.33Å; D416-Q420 PolarHBondContact O-N 2.87Å; D416-A566 WeakPolarHBondContact OD1-CA 3.18Å; D416-N569 WeakPolarHBondContact OD1-CB 3.32Å; D416-N569 PolarHBondContact OD1-ND2 3.32Å; D416-N569 PolarHBondContact OD2-ND2 2.93Å
417	K	85.3	Confident	84	Confident	74 Å²	74	42.7 Å²	42.7	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-37.1	178.9	-54.3	177.9	-169.6	115.2	0	111.5	E413 N414 I415 W421	E413-K417 VanDerWaalsContact C-NZ 3.35Å; E413-K417 VanDerWaalsContact O-CE 3.23Å; E413-K417 WeakPolarHBondContact O-CE 3.47Å; E413-K417 WeakPolarHBondContact O-CG 3.31Å; E413-K417 PolarHBondContact O-NZ 3.42Å; N414-K417 WeakPolarHBondContact O-CA 3.38Å; N414-K417 WeakPolarHBondContact O-CB 3.28Å; N414-K417 PolarHBondContact O-N 3.28Å; N414-K417 PolarHBondContact OD1-NZ 3.22Å; I415-K417 VanDerWaalsContact C-N 3.32Å; I415-K417 PolarHBondContact O-N 3.42Å; K417-W421 VanDerWaalsContact O-CB 3.31Å; K417-W421 WeakPolarHBondContact O-CB 3.44Å; K417-W421 PolarHBondContact O-N 3.26Å
418	I	91.1	Very high	85.1	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.046	21%	0.214	C	C	.	.	H	α-helix	trans	-70.2	-44	176.9	-66.9	172.1	0	0	0	110.6	N414 I415 W421 Q422 L433 L434 S438 F464	N414-I418 WeakPolarHBondContact O-CG1 3.3Å; N414-I418 PolarHBondContact O-N 3.02Å; I415-I418 PolarHBondContact O-N 3.46Å; I418-W421 PolarHBondContact O-N 3.35Å; I418-Q422 WeakPolarHBondContact O-CB 3.32Å; I418-Q422 PolarHBondContact O-N 3.01Å; I418-L433 HydrophobicContact CG2-CB 3.77Å; I418-L433 HydrophobicContact CG2-CD1 3.7Å; I418-L433 HydrophobicContact CG2-CG 4.39Å; I418-L434 HydrophobicContact CB-CD2 4.05Å; I418-L434 HydrophobicContact CD1-CD2 4.45Å; I418-L434 HydrophobicContact CG2-CD2 3.77Å; I418-L434 HydrophobicContact CG2-CG 4.16Å; I418-S438 WeakPolarHBondContact CD1-O 3.45Å; I418-F464 HydrophobicContact CD1-CD1 4.4Å; I418-F464 HydrophobicContact CD1-CE1 4.24Å; I418-F464 HydrophobicContact CG1-CE1 4.16Å; I418-F464 HydrophobicContact CG2-CE1 4.18Å
419	A	90.9	Very high	86.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.3	0	0	0	0	0	112	I415 D416 W421 Q422 S423 L434 A566 M567 A570	I415-A419 PolarHBondContact O-N 2.86Å; D416-A419 PolarHBondContact O-N 2.83Å; A419-W421 PolarHBondContact O-N 3.37Å; A419-Q422 PolarHBondContact O-N 3.49Å; A419-S423 WeakPolarHBondContact O-CB 3.43Å; A419-S423 PolarHBondContact O-N 3.39Å; A419-L434 HydrophobicContact CB-CD1 4.02Å; A419-A566 HydrophobicContact CB-CB 3.92Å; A419-A566 WeakPolarHBondContact CB-O 3.44Å; A419-M567 HydrophobicContact CB-SD 3.72Å; A419-A570 HydrophobicContact CB-CB 3.99Å
420	Q	88.3	Confident	87	Confident	64 Å²	64	46.4 Å²	46.4	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-46	174.7	-73	165.1	28.3	0	0	111.3	D416 S423 S424 A570	D416-Q420 WeakPolarHBondContact O-CB 3.06Å; D416-Q420 WeakPolarHBondContact O-CG 3.33Å; D416-Q420 PolarHBondContact O-N 2.87Å; Q420-S423 PolarHBondContact O-N 3.38Å; Q420-S423 PolarHBondContact O-OG 2.82Å; Q420-S424 PolarHBondContact O-N 2.91Å; Q420-A570 HydrophobicContact CG-CB 4.08Å
421	W	91.9	Very high	87.8	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.038	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-50.8	177.5	178.6	65.4	0	0	0	111.8	K417 I418 A419 S423 S424 I425 L433 F462 F464 I469 F618	K417-W421 VanDerWaalsContact O-CB 3.31Å; K417-W421 WeakPolarHBondContact O-CB 3.44Å; K417-W421 PolarHBondContact O-N 3.26Å; I418-W421 PolarHBondContact O-N 3.35Å; A419-W421 PolarHBondContact O-N 3.37Å; W421-S423 PolarHBondContact O-N 2.77Å; W421-S424 WeakPolarHBondContact O-CA 3.38Å; W421-S424 WeakPolarHBondContact O-CB 3.45Å; W421-S424 PolarHBondContact O-N 2.91Å; W421-S424 PolarHBondContact O-OG 3.36Å; W421-I425 HydrophobicContact CD2-CD1 4.47Å; W421-I425 HydrophobicContact CD2-CG1 4.43Å; W421-I425 HydrophobicContact CH2-CD1 4.47Å; W421-I425 HydrophobicContact CH2-CG1 4.44Å; W421-I425 HydrophobicContact CZ2-CD1 3.73Å; W421-I425 HydrophobicContact CZ2-CG1 4.12Å; W421-L433 HydrophobicContact CE3-CD1 3.55Å; W421-L433 HydrophobicContact CZ3-CD1 3.52Å; W421-F462 HydrophobicContact CH2-CB 3.95Å; W421-F462 HydrophobicContact CH2-CD1 4.15Å; W421-F462 AromaticContact CH2-CD2 3.75Å; W421-F462 HydrophobicContact CH2-CD2 3.75Å; W421-F462 HydrophobicContact CH2-CE2 4.3Å; W421-F462 AromaticContact CH2-CG 3.68Å; W421-F462 HydrophobicContact CH2-CG 3.68Å; W421-F462 HydrophobicContact CZ2-CB 4.33Å; W421-F462 AromaticContact CZ2-CD1 3.66Å; W421-F462 HydrophobicContact CZ2-CD1 3.66Å; W421-F462 AromaticContact CZ2-CD2 3.58Å; W421-F462 HydrophobicContact CZ2-CD2 3.58Å; W421-F462 AromaticContact CZ2-CE1 3.77Å; W421-F462 HydrophobicContact CZ2-CE1 3.77Å; W421-F462 AromaticContact CZ2-CE2 3.69Å; W421-F462 HydrophobicContact CZ2-CE2 3.69Å; W421-F462 AromaticContact CZ2-CG 3.58Å; W421-F462 HydrophobicContact CZ2-CG 3.58Å; W421-F462 AromaticContact CZ2-CZ 3.79Å; W421-F462 HydrophobicContact CZ2-CZ 3.79Å; W421-F464 HydrophobicContact CE3-CE2 4.41Å; W421-F464 AromaticContact CE3-CZ 3.72Å; W421-F464 HydrophobicContact CE3-CZ 3.72Å; W421-F464 HydrophobicContact CH2-CE2 4.13Å; W421-F464 HydrophobicContact CH2-CZ 4.19Å; W421-F464 AromaticContact CZ3-CE2 3.65Å; W421-F464 HydrophobicContact CZ3-CE2 3.65Å; W421-F464 AromaticContact CZ3-CZ 3.42Å; W421-F464 HydrophobicContact CZ3-CZ 3.42Å; W421-F464 VanDerWaalsContact CZ3-CZ 3.42Å; W421-I469 HydrophobicContact CH2-CB 4.44Å; W421-I469 HydrophobicContact CH2-CG2 4.25Å; W421-F618 HydrophobicContact CB-CE2 4.38Å; W421-F618 HydrophobicContact CB-CZ 4.27Å; W421-F618 AromaticContact CD1-CE1 3.94Å; W421-F618 AromaticContact CD1-CZ 3.29Å; W421-F618 HydrophobicContact CG-CZ 4.02Å
422	Q	92.3	Very high	88.7	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-55.1	-43.9	177.8	-166.3	-167.8	-56.6	0	0	111	I418 A419 S424 I425 W428 D432 L433	I418-Q422 WeakPolarHBondContact O-CB 3.32Å; I418-Q422 PolarHBondContact O-N 3.01Å; A419-Q422 PolarHBondContact O-N 3.49Å; Q422-S424 PolarHBondContact O-N 3.21Å; Q422-S424 VanDerWaalsContact O-N 3.16Å; Q422-I425 PolarHBondContact O-N 2.79Å; Q422-I425 VanDerWaalsContact O-N 3.11Å; Q422-W428 HydrophobicContact CG-CD2 3.71Å; Q422-W428 HydrophobicContact CG-CE3 3.86Å; Q422-W428 HydrophobicContact CG-CG 4.41Å; Q422-W428 HydrophobicContact CG-CH2 3.84Å; Q422-W428 HydrophobicContact CG-CZ2 3.65Å; Q422-W428 HydrophobicContact CG-CZ3 3.92Å; Q422-D432 PolarHBondContact NE2-OD1 2.92Å; Q422-D432 VanDerWaalsContact OE1-CA 3.28Å; Q422-L433 HydrophobicContact CB-CD1 3.92Å; Q422-L433 HydrophobicContact CG-CD1 4.12Å; Q422-L433 HydrophobicContact CG-CG 4.39Å
423	S	91.3	Very high	89.7	Confident	42 Å²	42	50 Å²	50	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-22.8	178.1	89	0	0	0	0	113.8	A419 Q420 W421 Q574	A419-S423 WeakPolarHBondContact O-CB 3.43Å; A419-S423 PolarHBondContact O-N 3.39Å; Q420-S423 PolarHBondContact O-N 3.38Å; Q420-S423 PolarHBondContact O-OG 2.82Å; W421-S423 PolarHBondContact O-N 2.77Å; S423-Q574 VanDerWaalsContact C-NE2 3.33Å; S423-Q574 PolarHBondContact O-NE2 3.3Å; S423-Q574 PolarHBondContact OG-NE2 3.22Å
424	S	90.5	Very high	90.5	Very high	69 Å²	69	45.4 Å²	45.4	48%	0.483	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.4	178.8	76.9	0	0	0	0	114.6	Q420 W421 Q422	Q420-S424 PolarHBondContact O-N 2.91Å; W421-S424 WeakPolarHBondContact O-CA 3.38Å; W421-S424 WeakPolarHBondContact O-CB 3.45Å; W421-S424 PolarHBondContact O-N 2.91Å; W421-S424 PolarHBondContact O-OG 3.36Å; Q422-S424 PolarHBondContact O-N 3.21Å; Q422-S424 VanDerWaalsContact O-N 3.16Å
425	I	91	Very high	91	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.051	26%	0.255	C	S	.	.			trans	-88.8	121.3	177.3	-55	-57.4	0	0	0	109.7	W421 Q422 W428 L481	W421-I425 HydrophobicContact CD2-CD1 4.47Å; W421-I425 HydrophobicContact CD2-CG1 4.43Å; W421-I425 HydrophobicContact CH2-CD1 4.47Å; W421-I425 HydrophobicContact CH2-CG1 4.44Å; W421-I425 HydrophobicContact CZ2-CD1 3.73Å; W421-I425 HydrophobicContact CZ2-CG1 4.12Å; Q422-I425 PolarHBondContact O-N 2.79Å; Q422-I425 VanDerWaalsContact O-N 3.11Å; I425-W428 HydrophobicContact CB-CE3 3.97Å; I425-W428 HydrophobicContact CG1-CE3 4.37Å; I425-W428 HydrophobicContact CG1-CZ3 4.44Å; I425-W428 HydrophobicContact CG2-CE3 3.94Å; I425-W428 HydrophobicContact CG2-CZ3 4.48Å; I425-L481 HydrophobicContact CD1-CB 3.61Å; I425-L481 HydrophobicContact CD1-CD1 3.85Å; I425-L481 HydrophobicContact CD1-CG 4.38Å
426	E	93.1	Very high	91.3	Very high	80 Å²	80	50.8 Å²	50.8	37%	0.374	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-76.6	155.3	173.7	-59.8	-77.9	-171.9	0	0	110.1	W428 V480 L481 Y482 Y483	E426-W428 VanDerWaalsContact C-N 3.34Å; E426-W428 PolarHBondContact O-N 2.99Å; E426-V480 HydrophobicContact CG-CG1 4.09Å; E426-L481 PolarHBondContact N-O 2.91Å; E426-Y482 HydrophobicContact CB-CD1 3.55Å; E426-Y482 HydrophobicContact CB-CE1 3.7Å; E426-Y482 HydrophobicContact CB-CG 4.46Å; E426-Y482 HydrophobicContact CG-CD1 4.5Å; E426-Y482 HydrophobicContact CG-CE1 4.24Å; E426-Y482 CarbonylContact O-C 3.58Å; E426-Y482 WeakPolarHBondContact O-CA 3.37Å; E426-Y483 PolarHBondContact O-N 3.4Å
427	D	94.8	Very high	91.6	Very high	84 Å²	84	48.2 Å²	48.2	45%	0.449	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	30.5	-175.3	-48	-22.3	0	0	0	115.4	E429 Y482 Y483 K484	D427-E429 PolarHBondContact O-N 2.87Å; D427-Y482 WeakPolarHBondContact OD2-CD1 3.21Å; D427-Y483 WeakPolarHBondContact O-CB 3.45Å; D427-K484 IonicContact OD2-NZ 3.74Å; D427-K484 PolarHBondContact OD2-NZ 3.06Å
428	W	94.4	Very high	91.7	Very high	57 Å²	57	44.9 Å²	44.9	22%	0.216	24%	0.241	C	C	.	.			trans	-61.4	125.5	-178.7	-171.8	-92.6	0	0	0	113	Q422 I425 E426 G430 E431 L433 I469 Y483	Q422-W428 HydrophobicContact CG-CD2 3.71Å; Q422-W428 HydrophobicContact CG-CE3 3.86Å; Q422-W428 HydrophobicContact CG-CG 4.41Å; Q422-W428 HydrophobicContact CG-CH2 3.84Å; Q422-W428 HydrophobicContact CG-CZ2 3.65Å; Q422-W428 HydrophobicContact CG-CZ3 3.92Å; I425-W428 HydrophobicContact CB-CE3 3.97Å; I425-W428 HydrophobicContact CG1-CE3 4.37Å; I425-W428 HydrophobicContact CG1-CZ3 4.44Å; I425-W428 HydrophobicContact CG2-CE3 3.94Å; I425-W428 HydrophobicContact CG2-CZ3 4.48Å; E426-W428 VanDerWaalsContact C-N 3.34Å; E426-W428 PolarHBondContact O-N 2.99Å; W428-G430 PolarHBondContact NE1-O 2.88Å; W428-E431 PolarHBondContact NE1-O 3.03Å; W428-L433 HydrophobicContact CH2-CD1 4.05Å; W428-L433 HydrophobicContact CH2-CD2 3.82Å; W428-L433 HydrophobicContact CH2-CG 3.75Å; W428-L433 HydrophobicContact CZ2-CD2 4.27Å; W428-L433 HydrophobicContact CZ2-CG 3.98Å; W428-I469 HydrophobicContact CH2-CD1 4.36Å; W428-I469 HydrophobicContact CH2-CG2 4.42Å; W428-I469 HydrophobicContact CZ3-CG2 4.28Å; W428-Y483 HydrophobicContact CD2-CD2 4.24Å; W428-Y483 AromaticContact CE3-CD2 3.6Å; W428-Y483 HydrophobicContact CE3-CD2 3.6Å; W428-Y483 HydrophobicContact CE3-CE2 4.23Å; W428-Y483 HydrophobicContact CE3-CG 4.2Å; W428-Y483 HydrophobicContact CH2-CD2 4.21Å; W428-Y483 HydrophobicContact CH2-CE2 4.14Å; W428-Y483 AromaticContact CZ3-CD2 3.59Å; W428-Y483 HydrophobicContact CZ3-CD2 3.59Å; W428-Y483 AromaticContact CZ3-CE2 4Å; W428-Y483 HydrophobicContact CZ3-CE2 4Å
429	E	94.1	Very high	91.5	Very high	121 Å²	121	44.5 Å²	44.5	57%	0.565	24%	0.239	S	C	*	.			trans	-124.4	139.6	179.2	-62.4	163.8	179.8	0	0	111.3	D427 Y483 R486	D427-E429 PolarHBondContact O-N 2.87Å; E429-Y483 HydrophobicContact CB-CD1 4.02Å; E429-Y483 HydrophobicContact CB-CE1 3.69Å; E429-Y483 HydrophobicContact CG-CD1 4.35Å; E429-Y483 HydrophobicContact CG-CE1 4.42Å; E429-Y483 PolarHBondContact O-OH 2.65Å; E429-R486 PolarHBondContact O-NH2 3.21Å
430	G	92.4	Very high	91.5	Very high	62 Å²	62	46.4 Å²	46.4	64%	0.639	25%	0.249	S	C	*	.	S	Bend	trans	84.9	-172.3	-179.1	0	0	0	0	0	113.9	W428 R486	W428-G430 PolarHBondContact NE1-O 2.88Å; G430-R486 VanDerWaalsContact C-NH2 3.3Å
431	E	92.8	Very high	91.6	Very high	125 Å²	125	44.1 Å²	44.1	58%	0.584	24%	0.239	S	C	*	.	S	Bend	trans	-64.7	160.1	-172	-59	-178.8	122.4	0	0	114.1	W428 V435 R486	W428-E431 PolarHBondContact NE1-O 3.03Å; E431-V435 HydrophobicContact CB-CG2 4.27Å; E431-R486 VanDerWaalsContact O-CZ 3.3Å; E431-R486 PolarHBondContact O-NH1 3.39Å; E431-R486 PolarHBondContact O-NH2 2.81Å
432	D	93.2	Very high	91.6	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	25%	0.247	S	C	.	.			trans	-62.4	145.6	173.1	-61.3	-36.1	0	0	0	111.3	Q422 L434 V435 M567	Q422-D432 PolarHBondContact NE2-OD1 2.92Å; Q422-D432 VanDerWaalsContact OE1-CA 3.28Å; D432-L434 PolarHBondContact O-N 3.14Å; D432-V435 HydrophobicContact CB-CG2 4.18Å; D432-V435 VanDerWaalsContact O-CB 3.31Å; D432-V435 WeakPolarHBondContact O-CB 3.26Å; D432-V435 WeakPolarHBondContact O-CG2 3.2Å; D432-V435 PolarHBondContact O-N 2.82Å; D432-V435 VanDerWaalsContact O-N 3.09Å; D432-M567 HydrophobicContact CB-CE 4.47Å; D432-M567 VanDerWaalsContact OD1-CE 3.31Å; D432-M567 WeakPolarHBondContact OD1-CE 3.5Å
433	L	92.6	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.6	-46.5	176.7	-70.2	166.2	0	0	0	111.4	I418 W421 Q422 W428 V435 R436 S437 F464 Q467 I469	I418-L433 HydrophobicContact CG2-CB 3.77Å; I418-L433 HydrophobicContact CG2-CD1 3.7Å; I418-L433 HydrophobicContact CG2-CG 4.39Å; W421-L433 HydrophobicContact CE3-CD1 3.55Å; W421-L433 HydrophobicContact CZ3-CD1 3.52Å; Q422-L433 HydrophobicContact CB-CD1 3.92Å; Q422-L433 HydrophobicContact CG-CD1 4.12Å; Q422-L433 HydrophobicContact CG-CG 4.39Å; W428-L433 HydrophobicContact CH2-CD1 4.05Å; W428-L433 HydrophobicContact CH2-CD2 3.82Å; W428-L433 HydrophobicContact CH2-CG 3.75Å; W428-L433 HydrophobicContact CZ2-CD2 4.27Å; W428-L433 HydrophobicContact CZ2-CG 3.98Å; L433-V435 PolarHBondContact O-N 2.98Å; L433-R436 PolarHBondContact O-N 2.94Å; L433-S437 WeakPolarHBondContact O-CB 3.28Å; L433-S437 PolarHBondContact O-N 2.85Å; L433-F464 HydrophobicContact CD1-CE1 4.32Å; L433-F464 HydrophobicContact CD1-CE2 4.4Å; L433-F464 HydrophobicContact CD1-CZ 3.96Å; L433-F464 HydrophobicContact CD2-CD2 4.19Å; L433-F464 HydrophobicContact CD2-CE2 4.07Å; L433-F464 HydrophobicContact CD2-CZ 4.37Å; L433-Q467 PolarHBondContact O-NE2 2.92Å; L433-I469 HydrophobicContact CD2-CD1 3.73Å; L433-I469 HydrophobicContact CD2-CG1 3.72Å
434	L	91.9	Very high	91.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.9	-5.8	-177.2	-62.5	178.6	0	0	0	114	I415 I418 A419 D432 S437 I558 R563 A566	I415-L434 HydrophobicContact CG2-CD1 3.57Å; I415-L434 HydrophobicContact CG2-CD2 3.84Å; I415-L434 HydrophobicContact CG2-CG 4.34Å; I418-L434 HydrophobicContact CB-CD2 4.05Å; I418-L434 HydrophobicContact CD1-CD2 4.45Å; I418-L434 HydrophobicContact CG2-CD2 3.77Å; I418-L434 HydrophobicContact CG2-CG 4.16Å; A419-L434 HydrophobicContact CB-CD1 4.02Å; D432-L434 PolarHBondContact O-N 3.14Å; L434-S437 WeakPolarHBondContact CA-O 3.39Å; L434-I558 HydrophobicContact CD2-CD1 4.12Å; L434-R563 HydrophobicContact CB-CG 3.93Å; L434-R563 PolarHBondContact O-NE 3Å; L434-R563 PolarHBondContact O-NH2 3.19Å; L434-A566 HydrophobicContact CD1-CB 3.97Å
435	V	91.3	Very high	91.5	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.309	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66	-40.6	169.3	178.5	0	0	0	0	111.4	E431 D432 L433 R563	E431-V435 HydrophobicContact CB-CG2 4.27Å; D432-V435 HydrophobicContact CB-CG2 4.18Å; D432-V435 VanDerWaalsContact O-CB 3.31Å; D432-V435 WeakPolarHBondContact O-CB 3.26Å; D432-V435 WeakPolarHBondContact O-CG2 3.2Å; D432-V435 PolarHBondContact O-N 2.82Å; D432-V435 VanDerWaalsContact O-N 3.09Å; L433-V435 PolarHBondContact O-N 2.98Å; V435-R563 PolarHBondContact O-NH2 2.91Å; V435-R563 VanDerWaalsContact O-NH2 3.07Å
436	R	90	Very high	91.6	Very high	87 Å²	87	45.3 Å²	45.3	33%	0.328	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-20.6	-178	-72.1	-177.8	65.3	178.6	-2.6	114.9	L433 H466 D488 D490	L433-R436 PolarHBondContact O-N 2.94Å; R436-H466 HydrophobicContact CB-CB 4.34Å; R436-H466 PolarHBondContact O-CD2 2.7Å; R436-D488 IonicContact CZ-OD1 2.59Å; R436-D488 IonicContact CZ-OD2 2.72Å; R436-D488 IonicContact NH1-OD1 2.86Å; R436-D488 IonicContact NH1-OD2 2.71Å; R436-D488 PolarHBondContact NH1-OD2 3.45Å; R436-D488 VanDerWaalsContact NH2-CG 3.27Å; R436-D488 IonicContact NH2-OD1 3.53Å; R436-D488 PolarHBondContact NH2-OD1 3.28Å; R436-D488 IonicContact NH2-OD2 3.49Å; R436-D488 PolarHBondContact NH2-OD2 2.65Å; R436-D490 IonicContact CZ-OD2 2.74Å; R436-D490 IonicContact NH2-OD2 2.74Å; R436-D490 PolarHBondContact NH2-OD2 2.88Å
437	S	90.9	Very high	91.6	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.229	C	C	.	.			trans	-117.9	153.5	-170.4	-56.7	0	0	0	0	113.1	L433 L434 D465 Q467	L433-S437 WeakPolarHBondContact O-CB 3.28Å; L433-S437 PolarHBondContact O-N 2.85Å; L434-S437 WeakPolarHBondContact CA-O 3.39Å; S437-D465 VanDerWaalsContact CA-OD1 3.31Å; S437-D465 WeakPolarHBondContact CA-OD1 2.99Å; S437-D465 WeakPolarHBondContact CA-OD2 3.49Å; S437-D465 WeakPolarHBondContact CB-O 3.08Å; S437-D465 VanDerWaalsContact CB-OD1 3.26Å; S437-D465 WeakPolarHBondContact CB-OD1 3.21Å; S437-D465 PolarHBondContact OG-O 3.19Å; S437-Q467 WeakPolarHBondContact OG-CG 3.39Å; S437-Q467 PolarHBondContact OG-NE2 2.6Å
438	S	86.8	Confident	91.4	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	22%	0.216	C	C	.	.			trans	-131.9	-18.8	-179.1	67.5	0	0	0	0	113.8	I418 D465	I418-S438 WeakPolarHBondContact CD1-O 3.45Å; S438-D465 WeakPolarHBondContact CB-OD2 3.49Å; S438-D465 PolarHBondContact N-OD1 2.88Å; S438-D465 PolarHBondContact N-OD2 3.46Å; S438-D465 PolarHBondContact OG-OD2 2.87Å
439	E	87.2	Confident	91.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.21	C	C	.	.			trans	-140.8	133.1	-171	-170.9	-170.9	164.3	0	0	112.1	R410 R411 I441 F464 D465 R543	R410-E439 IonicContact CZ-OE1 3.55Å; R410-E439 IonicContact NH1-OE1 2.71Å; R410-E439 IonicContact NH2-OE1 2.75Å; R410-E439 PolarHBondContact NH2-OE1 2.77Å; R410-E439 IonicContact NH2-OE2 3.73Å; R411-E439 IonicContact CZ-OE2 3.8Å; R411-E439 IonicContact NE-OE2 2.77Å; R411-E439 IonicContact NH2-OE2 3.6Å; R411-E439 PolarHBondContact NH2-OE2 3.37Å; E439-I441 HydrophobicContact CB-CG1 4.3Å; E439-I441 HydrophobicContact CG-CG1 4.02Å; E439-I441 PolarHBondContact O-N 3.34Å; E439-F464 WeakPolarHBondContact O-CA 3.46Å; E439-F464 WeakPolarHBondContact O-CB 3.43Å; E439-F464 WeakPolarHBondContact O-CD1 3.3Å; E439-D465 PolarHBondContact N-OD1 2.84Å; E439-D465 PolarHBondContact O-N 2.82Å; E439-R543 IonicContact OE1-CZ 2.92Å; E439-R543 IonicContact OE1-NH1 2.68Å; E439-R543 IonicContact OE1-NH2 2.74Å; E439-R543 PolarHBondContact OE1-NH2 3.41Å; E439-R543 IonicContact OE2-NH2 3.2Å
440	L	90.6	Very high	90.4	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.209	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.3	161.5	178.6	68	0	0	0	109.1	F462 F464 I622	L440-F462 HydrophobicContact CD1-CB 3.92Å; L440-F462 HydrophobicContact CD1-CD1 4.39Å; L440-F464 HydrophobicContact CB-CD1 4.14Å; L440-F464 HydrophobicContact CB-CE1 3.82Å; L440-F464 HydrophobicContact CB-CZ 4.42Å; L440-F464 HydrophobicContact CD1-CD1 4.31Å; L440-F464 HydrophobicContact CD1-CD2 4.35Å; L440-F464 HydrophobicContact CD1-CE1 3.93Å; L440-F464 HydrophobicContact CD1-CE2 3.97Å; L440-F464 HydrophobicContact CD1-CZ 3.74Å; L440-F464 HydrophobicContact CG-CE1 4.44Å; L440-I622 HydrophobicContact CD2-CG2 4.03Å
441	I	89.5	Confident	89.2	Confident	15 Å²	15	38 Å²	38	8%	0.077	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-41.3	-174.4	-64.7	169.5	0	0	0	111	E439 L463 D465 R543 E544	E439-I441 HydrophobicContact CB-CG1 4.3Å; E439-I441 HydrophobicContact CG-CG1 4.02Å; E439-I441 PolarHBondContact O-N 3.34Å; I441-L463 PolarHBondContact N-O 2.65Å; I441-D465 HydrophobicContact CD1-CB 4.29Å; I441-R543 HydrophobicContact CG2-CG 4.49Å; I441-E544 HydrophobicContact CD1-CB 3.75Å; I441-E544 HydrophobicContact CD1-CG 3.6Å
442	Y	91.9	Very high	87.7	Confident	53 Å²	53	38.4 Å²	38.4	21%	0.208	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	156	174.8	-162.2	-121	0	0	0	113	L463 R536 W537 A540	Y442-L463 PolarHBondContact N-O 2.93Å; Y442-L463 PolarHBondContact O-N 3.16Å; Y442-R536 HydrophobicContact CE1-CB 4.45Å; Y442-W537 AromaticContact CD1-CD2 3.79Å; Y442-W537 HydrophobicContact CD1-CD2 3.79Å; Y442-W537 AromaticContact CD1-CE2 3.84Å; Y442-W537 AromaticContact CD1-CE3 3.88Å; Y442-W537 HydrophobicContact CD1-CE3 3.88Å; Y442-W537 HydrophobicContact CD1-CG 4.4Å; Y442-W537 HydrophobicContact CD1-CH2 4.06Å; Y442-W537 AromaticContact CD1-CZ2 4Å; Y442-W537 HydrophobicContact CD1-CZ2 4Å; Y442-W537 HydrophobicContact CD1-CZ3 4.02Å; Y442-W537 AromaticContact CE1-CD2 3.93Å; Y442-W537 HydrophobicContact CE1-CD2 3.93Å; Y442-W537 AromaticContact CE1-CE2 3.77Å; Y442-W537 HydrophobicContact CE1-CE3 4.48Å; Y442-W537 HydrophobicContact CE1-CG 4.17Å; Y442-W537 HydrophobicContact CE1-CZ2 4.19Å; Y442-W537 AromaticContact CE1-NE1 3.89Å; Y442-A540 HydrophobicContact CD1-CB 4.02Å; Y442-A540 HydrophobicContact CG-CB 3.84Å
443	S	91.8	Very high	86.2	Confident	34 Å²	34	43.8 Å²	43.8	24%	0.238	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154	169.1	65.8	0	0	0	0	111.9	F461	S443-F461 VanDerWaalsContact CA-O 3.24Å; S443-F461 WeakPolarHBondContact CA-O 3.38Å; S443-F461 WeakPolarHBondContact CB-O 3.45Å
444	G	89.6	Confident	85.2	Confident	16 Å²	16	45.5 Å²	45.5	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	179.2	-177	0	0	0	0	0	113.3	M460 F461	G444-M460 WeakPolarHBondContact O-CA 3.18Å; G444-M460 WeakPolarHBondContact O-CE 3.35Å; G444-F461 PolarHBondContact N-O 3.11Å; G444-F461 PolarHBondContact O-N 3.41Å
445	E	90.8	Very high	84.8	Confident	63 Å²	63	51.8 Å²	51.8	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123	-179.5	-162.5	167.7	-103.6	0	0	110.4	Q458 R459 M460 K473	E445-Q458 HydrophobicContact CG-CG 3.74Å; E445-Q458 PolarHBondContact OE2-NE2 3.36Å; E445-R459 WeakPolarHBondContact CA-O 3.35Å; E445-M460 HydrophobicContact CB-SD 3.77Å; E445-M460 HydrophobicContact CG-SD 4.04Å; E445-K473 IonicContact OE1-NZ 2.85Å; E445-K473 PolarHBondContact OE1-NZ 2.85Å
446	L	93.8	Very high	84.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.7	178.4	-71.7	168.4	0	0	0	110.4	R459 F461 F513 L526 T528 W537	L446-R459 PolarHBondContact N-O 3.22Å; L446-R459 PolarHBondContact O-N 2.89Å; L446-R459 VanDerWaalsContact O-O 3.13Å; L446-F461 HydrophobicContact CB-CD2 3.62Å; L446-F461 HydrophobicContact CB-CE2 3.71Å; L446-F461 HydrophobicContact CB-CG 4.45Å; L446-F461 HydrophobicContact CD1-CB 4.16Å; L446-F461 HydrophobicContact CD1-CD1 4.38Å; L446-F461 HydrophobicContact CD1-CD2 3.92Å; L446-F461 HydrophobicContact CD1-CE2 4.33Å; L446-F461 HydrophobicContact CD1-CG 3.92Å; L446-F461 HydrophobicContact CG-CD2 4.21Å; L446-F513 HydrophobicContact CD1-CZ 3.98Å; L446-F513 HydrophobicContact CD2-CE1 4.08Å; L446-F513 HydrophobicContact CD2-CZ 4Å; L446-L526 HydrophobicContact CD1-CD1 4.26Å; L446-T528 HydrophobicContact CD2-CG2 3.38Å; L446-W537 HydrophobicContact CD1-CD2 3.96Å; L446-W537 HydrophobicContact CD1-CE3 4.33Å; L446-W537 HydrophobicContact CD1-CH2 4.17Å; L446-W537 HydrophobicContact CD1-CZ2 3.76Å; L446-W537 HydrophobicContact CD1-CZ3 4.42Å; L446-W537 HydrophobicContact CD2-CG 4.39Å; L446-W537 HydrophobicContact CG-CD2 4.48Å; L446-W537 HydrophobicContact CG-CZ2 4.03Å
447	T	93.7	Very high	84.7	Confident	31 Å²	31	51.2 Å²	51.2	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.2	165.5	-59.9	0	0	0	0	108.5	L526 C527	T447-L526 WeakPolarHBondContact O-CA 3.46Å; T447-C527 PolarHBondContact N-O 3.4Å; T447-C527 PolarHBondContact O-N 3.22Å
448	R	90.9	Very high	84.7	Confident	46 Å²	46	54.6 Å²	54.6	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.6	168	59.5	179.6	-84.7	164.4	-6.9	110.2	T450 S456 Q457 R459 F461 Y470 L525 L526	R448-T450 VanDerWaalsContact NH2-CG2 3.29Å; R448-S456 CarbonylContact O-C 3.58Å; R448-S456 WeakPolarHBondContact O-CA 3.38Å; R448-Q457 HydrophobicContact CG-CB 3.92Å; R448-Q457 WeakPolarHBondContact CG-O 3.48Å; R448-Q457 PolarHBondContact N-O 2.89Å; R448-Q457 PolarHBondContact O-N 2.97Å; R448-R459 HydrophobicContact CG-CG 4.38Å; R448-F461 HydrophobicContact CB-CZ 4.25Å; R448-Y470 VanDerWaalsContact NH1-CE1 3.34Å; R448-Y470 PolarHBondContact NH1-OH 2.95Å; R448-L525 WeakPolarHBondContact CA-O 3.48Å; R448-L526 HydrophobicContact CB-CD2 3.71Å
449	V	87.8	Confident	85.1	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.2	173	-176.9	0	0	0	0	108.2	A454 L505 L525	V449-A454 HydrophobicContact CG1-CB 4.38Å; V449-L505 HydrophobicContact CG1-CD1 4.24Å; V449-L525 HydrophobicContact CB-CB 4.28Å; V449-L525 HydrophobicContact CB-CD2 3.98Å; V449-L525 HydrophobicContact CB-CG 4.34Å; V449-L525 HydrophobicContact CG1-CD2 4.45Å; V449-L525 HydrophobicContact CG2-CD2 3.96Å; V449-L525 HydrophobicContact CG2-CG 4.35Å; V449-L525 PolarHBondContact N-O 3Å
450	T	78.1	Confident	85.4	Confident	27 Å²	27	57.3 Å²	57.3	17%	0.166	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.4	-179.3	50.2	0	0	0	0	112.3	R448 A454 K455 Q457	R448-T450 VanDerWaalsContact NH2-CG2 3.29Å; T450-A454 WeakPolarHBondContact O-CA 3.48Å; T450-A454 PolarHBondContact O-N 3.45Å; T450-K455 PolarHBondContact N-O 3.31Å; T450-K455 PolarHBondContact O-N 2.86Å; T450-K455 PolarHBondContact OG1-O 2.7Å; T450-K455 VanDerWaalsContact OG1-O 3.12Å; T450-Q457 PolarHBondContact OG1-NE2 2.7Å
451	Q	68.6	Low	85.6	Confident	134 Å²	134	55.4 Å²	55.4	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	158.6	160.6	-68.3	-172.4	-0.7	0	0	111	L505	Q451-L505 HydrophobicContact CG-CD2 3.41Å; Q451-L505 VanDerWaalsContact CG-CD2 3.41Å
452	P	60.4	Low	85.9	Confident	134 Å²	134	54.9 Å²	54.9	87%	0.87	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	cis	-79.3	-27.5	-3.7	-15.3	31.9	0	0	0	113.9	A454	P452-A454 VanDerWaalsContact C-N 3.29Å; P452-A454 PolarHBondContact O-N 2.76Å
453	Q	62.8	Low	86.1	Confident	166 Å²	166	52.3 Å²	52.3	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	23.2	-168.1	-64.8	-177.8	-20.6	0	0	114.8	K455	Q453-K455 PolarHBondContact O-N 3.26Å
454	A	71.9	Confident	86.3	Confident	36 Å²	36	50.8 Å²	50.8	30%	0.298	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	32.3	-176.9	0	0	0	0	0	114.4	V449 T450 P452 S456 V507	V449-A454 HydrophobicContact CG1-CB 4.38Å; T450-A454 WeakPolarHBondContact O-CA 3.48Å; T450-A454 PolarHBondContact O-N 3.45Å; P452-A454 VanDerWaalsContact C-N 3.29Å; P452-A454 PolarHBondContact O-N 2.76Å; A454-S456 PolarHBondContact O-N 3.02Å; A454-S456 VanDerWaalsContact O-N 3.11Å; A454-V507 HydrophobicContact CB-CG2 3.71Å
455	K	82.2	Confident	86.4	Confident	133 Å²	133	50.2 Å²	50.2	58%	0.578	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	106.7	-166.8	-170.6	169.4	-174.1	169.4	0	110.5	T450 Q453 Q457	T450-K455 PolarHBondContact N-O 3.31Å; T450-K455 PolarHBondContact O-N 2.86Å; T450-K455 PolarHBondContact OG1-O 2.7Å; T450-K455 VanDerWaalsContact OG1-O 3.12Å; Q453-K455 PolarHBondContact O-N 3.26Å; K455-Q457 WeakPolarHBondContact O-CG 3.44Å; K455-Q457 PolarHBondContact O-N 3.36Å
456	S	87.4	Confident	86.6	Confident	78 Å²	78	49 Å²	49	55%	0.545	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.3	172.9	-62.3	0	0	0	0	111.5	R448 A454	R448-S456 CarbonylContact O-C 3.58Å; R448-S456 WeakPolarHBondContact O-CA 3.38Å; A454-S456 PolarHBondContact O-N 3.02Å; A454-S456 VanDerWaalsContact O-N 3.11Å
457	Q	91.2	Very high	86.7	Confident	48 Å²	48	49.2 Å²	49.2	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.8	177.7	-44.2	-176.8	25	0	0	109.6	R448 T450 K455	R448-Q457 HydrophobicContact CG-CB 3.92Å; R448-Q457 WeakPolarHBondContact CG-O 3.48Å; R448-Q457 PolarHBondContact N-O 2.89Å; R448-Q457 PolarHBondContact O-N 2.97Å; T450-Q457 PolarHBondContact OG1-NE2 2.7Å; K455-Q457 WeakPolarHBondContact O-CG 3.44Å; K455-Q457 PolarHBondContact O-N 3.36Å
458	Q	91.7	Very high	86.8	Confident	73 Å²	73	47.8 Å²	47.8	34%	0.341	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.8	172.9	-161.6	171.4	26.1	0	0	110.4	E445 R529	E445-Q458 HydrophobicContact CG-CG 3.74Å; E445-Q458 PolarHBondContact OE2-NE2 3.36Å; Q458-R529 VanDerWaalsContact OE1-NH2 3.15Å
459	R	94.6	Very high	87	Confident	45 Å²	45	45.6 Å²	45.6	17%	0.17	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.3	-179.3	-61.8	-68.3	174.3	-103.8	3.5	110.3	E445 L446 R448 F461 Y470 C471	E445-R459 WeakPolarHBondContact CA-O 3.35Å; L446-R459 PolarHBondContact N-O 3.22Å; L446-R459 PolarHBondContact O-N 2.89Å; L446-R459 VanDerWaalsContact O-O 3.13Å; R448-R459 HydrophobicContact CG-CG 4.38Å; R459-F461 HydrophobicContact CB-CD2 4Å; R459-F461 HydrophobicContact CB-CE2 3.7Å; R459-F461 HydrophobicContact CG-CE2 4.49Å; R459-Y470 HydrophobicContact CG-CD2 4.34Å; R459-C471 WeakPolarHBondContact CA-O 3.48Å; R459-C471 WeakPolarHBondContact CB-O 3.44Å; R459-C471 WeakPolarHBondContact CD-O 3.29Å
460	M	93.9	Very high	87.4	Confident	17 Å²	17	46.2 Å²	46.2	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.6	159.7	-70.9	-58.5	-58	0	0	108.5	G444 E445 F462 Y470 C471 K473 L481	G444-M460 WeakPolarHBondContact O-CA 3.18Å; G444-M460 WeakPolarHBondContact O-CE 3.35Å; E445-M460 HydrophobicContact CB-SD 3.77Å; E445-M460 HydrophobicContact CG-SD 4.04Å; M460-F462 HydrophobicContact CB-CE2 3.54Å; M460-F462 HydrophobicContact CB-CZ 3.8Å; M460-F462 HydrophobicContact CE-CZ 4.34Å; M460-Y470 CarbonylContact O-C 3.5Å; M460-Y470 WeakPolarHBondContact O-CA 3.25Å; M460-C471 PolarHBondContact N-O 2.86Å; M460-C471 PolarHBondContact O-N 2.94Å; M460-K473 HydrophobicContact CG-CD 4.14Å; M460-K473 VanDerWaalsContact CG-CE 3.45Å; M460-K473 HydrophobicContact CG-CG 4.07Å; M460-K473 WeakPolarHBondContact SD-CE 3.46Å; M460-K473 PolarHBondContact SD-NZ 2.96Å; M460-L481 HydrophobicContact CB-CD2 4.28Å; M460-L481 HydrophobicContact CG-CD2 4.04Å
461	F	95.6	Very high	88.2	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.5	174.4	-79	-105	0	0	0	109.6	S443 G444 L446 R448 R459 L468 I469 Y470 L526 W537	S443-F461 VanDerWaalsContact CA-O 3.24Å; S443-F461 WeakPolarHBondContact CA-O 3.38Å; S443-F461 WeakPolarHBondContact CB-O 3.45Å; G444-F461 PolarHBondContact N-O 3.11Å; G444-F461 PolarHBondContact O-N 3.41Å; L446-F461 HydrophobicContact CB-CD2 3.62Å; L446-F461 HydrophobicContact CB-CE2 3.71Å; L446-F461 HydrophobicContact CB-CG 4.45Å; L446-F461 HydrophobicContact CD1-CB 4.16Å; L446-F461 HydrophobicContact CD1-CD1 4.38Å; L446-F461 HydrophobicContact CD1-CD2 3.92Å; L446-F461 HydrophobicContact CD1-CE2 4.33Å; L446-F461 HydrophobicContact CD1-CG 3.92Å; L446-F461 HydrophobicContact CG-CD2 4.21Å; R448-F461 HydrophobicContact CB-CZ 4.25Å; R459-F461 HydrophobicContact CB-CD2 4Å; R459-F461 HydrophobicContact CB-CE2 3.7Å; R459-F461 HydrophobicContact CG-CE2 4.49Å; F461-L468 HydrophobicContact CB-CD1 4.16Å; F461-L468 HydrophobicContact CD1-CD1 3.91Å; F461-L468 HydrophobicContact CD1-CD2 3.9Å; F461-L468 HydrophobicContact CD1-CG 3.87Å; F461-L468 HydrophobicContact CE1-CD2 4.25Å; F461-I469 CarbonylContact C-O 3.57Å; F461-I469 WeakPolarHBondContact CA-O 3.41Å; F461-Y470 HydrophobicContact CD1-CG 4.44Å; F461-Y470 AromaticContact CE1-CD1 3.99Å; F461-Y470 HydrophobicContact CE1-CD1 3.99Å; F461-Y470 HydrophobicContact CE1-CG 4.01Å; F461-Y470 HydrophobicContact CZ-CD1 4.49Å; F461-Y470 HydrophobicContact CZ-CG 4.2Å; F461-L526 HydrophobicContact CE1-CD1 4.48Å; F461-L526 HydrophobicContact CE1-CD2 3.99Å; F461-L526 HydrophobicContact CE2-CD2 4.1Å; F461-L526 HydrophobicContact CZ-CD2 3.47Å; F461-L526 VanDerWaalsContact CZ-CD2 3.47Å; F461-W537 HydrophobicContact CB-CH2 3.55Å; F461-W537 HydrophobicContact CB-CZ2 3.96Å; F461-W537 HydrophobicContact CB-CZ3 4.44Å
462	F	95.8	Very high	89.4	Confident	3 Å²	3	42 Å²	42	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	106.4	-177.9	-56.1	-93	0	0	0	107.5	W421 L440 M460 F464 I469 C471 L481 W619	W421-F462 HydrophobicContact CH2-CB 3.95Å; W421-F462 HydrophobicContact CH2-CD1 4.15Å; W421-F462 AromaticContact CH2-CD2 3.75Å; W421-F462 HydrophobicContact CH2-CD2 3.75Å; W421-F462 HydrophobicContact CH2-CE2 4.3Å; W421-F462 AromaticContact CH2-CG 3.68Å; W421-F462 HydrophobicContact CH2-CG 3.68Å; W421-F462 HydrophobicContact CZ2-CB 4.33Å; W421-F462 AromaticContact CZ2-CD1 3.66Å; W421-F462 HydrophobicContact CZ2-CD1 3.66Å; W421-F462 AromaticContact CZ2-CD2 3.58Å; W421-F462 HydrophobicContact CZ2-CD2 3.58Å; W421-F462 AromaticContact CZ2-CE1 3.77Å; W421-F462 HydrophobicContact CZ2-CE1 3.77Å; W421-F462 AromaticContact CZ2-CE2 3.69Å; W421-F462 HydrophobicContact CZ2-CE2 3.69Å; W421-F462 AromaticContact CZ2-CG 3.58Å; W421-F462 HydrophobicContact CZ2-CG 3.58Å; W421-F462 AromaticContact CZ2-CZ 3.79Å; W421-F462 HydrophobicContact CZ2-CZ 3.79Å; L440-F462 HydrophobicContact CD1-CB 3.92Å; L440-F462 HydrophobicContact CD1-CD1 4.39Å; M460-F462 HydrophobicContact CB-CE2 3.54Å; M460-F462 HydrophobicContact CB-CZ 3.8Å; M460-F462 HydrophobicContact CE-CZ 4.34Å; F462-F464 HydrophobicContact CB-CD2 4.41Å; F462-F464 HydrophobicContact CB-CE2 3.68Å; F462-F464 HydrophobicContact CB-CZ 4.38Å; F462-F464 WeakPolarHBondContact O-CD2 3.42Å; F462-I469 HydrophobicContact CB-CB 4.4Å; F462-I469 PolarHBondContact N-O 2.78Å; F462-I469 PolarHBondContact O-N 3.01Å; F462-C471 HydrophobicContact CE2-CB 4.27Å; F462-L481 HydrophobicContact CE2-CD1 4.11Å; F462-L481 HydrophobicContact CZ-CD1 3.63Å; F462-W619 HydrophobicContact CE1-CH2 4.5Å
463	L	95.6	Very high	90.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.1	179.3	179.3	61.8	0	0	0	108.8	I441 Y442 L468 M489 W537 A540 F541 E544	I441-L463 PolarHBondContact N-O 2.65Å; Y442-L463 PolarHBondContact N-O 2.93Å; Y442-L463 PolarHBondContact O-N 3.16Å; L463-L468 HydrophobicContact CB-CD1 3.91Å; L463-L468 HydrophobicContact CD1-CB 4.19Å; L463-L468 HydrophobicContact CD1-CD1 4.18Å; L463-M489 HydrophobicContact CD1-CG 4.05Å; L463-M489 HydrophobicContact CD1-SD 4.27Å; L463-W537 HydrophobicContact CB-CZ3 4.16Å; L463-A540 HydrophobicContact CD2-CB 4Å; L463-A540 WeakPolarHBondContact CD2-O 3.48Å; L463-F541 HydrophobicContact CD1-CD1 3.99Å; L463-F541 HydrophobicContact CD1-CE1 3.86Å; L463-F541 HydrophobicContact CD2-CD1 3.68Å; L463-F541 HydrophobicContact CD2-CE1 3.94Å; L463-F541 HydrophobicContact CD2-CG 4.33Å; L463-F541 HydrophobicContact CG-CD1 4.5Å; L463-F541 HydrophobicContact CG-CE1 4.47Å; L463-E544 HydrophobicContact CD1-CB 4.44Å; L463-E544 HydrophobicContact CD1-CG 3.96Å; L463-E544 HydrophobicContact CD2-CB 4Å; L463-E544 HydrophobicContact CD2-CG 4.37Å; L463-E544 HydrophobicContact CG-CB 4.31Å; L463-E544 HydrophobicContact CG-CG 4.13Å
464	F	95.1	Very high	92.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	165.4	167.5	-59.5	-97.8	0	0	0	109.3	I418 W421 L433 E439 L440 F462 H466 Q467 I469 E544	I418-F464 HydrophobicContact CD1-CD1 4.4Å; I418-F464 HydrophobicContact CD1-CE1 4.24Å; I418-F464 HydrophobicContact CG1-CE1 4.16Å; I418-F464 HydrophobicContact CG2-CE1 4.18Å; W421-F464 HydrophobicContact CE3-CE2 4.41Å; W421-F464 AromaticContact CE3-CZ 3.72Å; W421-F464 HydrophobicContact CE3-CZ 3.72Å; W421-F464 HydrophobicContact CH2-CE2 4.13Å; W421-F464 HydrophobicContact CH2-CZ 4.19Å; W421-F464 AromaticContact CZ3-CE2 3.65Å; W421-F464 HydrophobicContact CZ3-CE2 3.65Å; W421-F464 AromaticContact CZ3-CZ 3.42Å; W421-F464 HydrophobicContact CZ3-CZ 3.42Å; W421-F464 VanDerWaalsContact CZ3-CZ 3.42Å; L433-F464 HydrophobicContact CD1-CE1 4.32Å; L433-F464 HydrophobicContact CD1-CE2 4.4Å; L433-F464 HydrophobicContact CD1-CZ 3.96Å; L433-F464 HydrophobicContact CD2-CD2 4.19Å; L433-F464 HydrophobicContact CD2-CE2 4.07Å; L433-F464 HydrophobicContact CD2-CZ 4.37Å; E439-F464 WeakPolarHBondContact O-CA 3.46Å; E439-F464 WeakPolarHBondContact O-CB 3.43Å; E439-F464 WeakPolarHBondContact O-CD1 3.3Å; L440-F464 HydrophobicContact CB-CD1 4.14Å; L440-F464 HydrophobicContact CB-CE1 3.82Å; L440-F464 HydrophobicContact CB-CZ 4.42Å; L440-F464 HydrophobicContact CD1-CD1 4.31Å; L440-F464 HydrophobicContact CD1-CD2 4.35Å; L440-F464 HydrophobicContact CD1-CE1 3.93Å; L440-F464 HydrophobicContact CD1-CE2 3.97Å; L440-F464 HydrophobicContact CD1-CZ 3.74Å; L440-F464 HydrophobicContact CG-CE1 4.44Å; F462-F464 HydrophobicContact CB-CD2 4.41Å; F462-F464 HydrophobicContact CB-CE2 3.68Å; F462-F464 HydrophobicContact CB-CZ 4.38Å; F462-F464 WeakPolarHBondContact O-CD2 3.42Å; F464-H466 PolarHBondContact O-N 3.28Å; F464-Q467 WeakPolarHBondContact CA-O 3.33Å; F464-Q467 HydrophobicContact CB-CG 4.41Å; F464-Q467 WeakPolarHBondContact CB-O 3.33Å; F464-Q467 PolarHBondContact N-O 3Å; F464-Q467 PolarHBondContact O-N 3.46Å; F464-I469 HydrophobicContact CD2-CG1 3.9Å; F464-I469 HydrophobicContact CE2-CB 4.46Å; F464-I469 HydrophobicContact CE2-CG1 3.78Å; F464-E544 WeakPolarHBondContact O-CG 3.27Å
465	D	92.4	Very high	92.8	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	130.9	158.9	51.7	-33.8	0	0	0	110.5	S437 S438 E439 I441 Q467 V548	S437-D465 VanDerWaalsContact CA-OD1 3.31Å; S437-D465 WeakPolarHBondContact CA-OD1 2.99Å; S437-D465 WeakPolarHBondContact CA-OD2 3.49Å; S437-D465 WeakPolarHBondContact CB-O 3.08Å; S437-D465 VanDerWaalsContact CB-OD1 3.26Å; S437-D465 WeakPolarHBondContact CB-OD1 3.21Å; S437-D465 PolarHBondContact OG-O 3.19Å; S438-D465 WeakPolarHBondContact CB-OD2 3.49Å; S438-D465 PolarHBondContact N-OD1 2.88Å; S438-D465 PolarHBondContact N-OD2 3.46Å; S438-D465 PolarHBondContact OG-OD2 2.87Å; E439-D465 PolarHBondContact N-OD1 2.84Å; E439-D465 PolarHBondContact O-N 2.82Å; I441-D465 HydrophobicContact CD1-CB 4.29Å; D465-Q467 PolarHBondContact O-N 2.92Å; D465-V548 HydrophobicContact CB-CG2 4.1Å
466	H	94.8	Very high	92.9	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.171	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	-18.5	-177.9	-56.2	-84.7	0	0	0	117.3	R436 F464 M489 D490 E544 V548	R436-H466 HydrophobicContact CB-CB 4.34Å; R436-H466 PolarHBondContact O-CD2 2.7Å; F464-H466 PolarHBondContact O-N 3.28Å; H466-M489 PolarHBondContact O-N 2.95Å; H466-D490 IonicContact CE1-OD1 3.18Å; H466-D490 IonicContact CE1-OD2 2.76Å; H466-D490 IonicContact CG-OD2 3.66Å; H466-D490 VanDerWaalsContact ND1-CG 3.33Å; H466-D490 IonicContact ND1-OD1 2.73Å; H466-D490 PolarHBondContact ND1-OD1 3.17Å; H466-D490 VanDerWaalsContact ND1-OD1 3.15Å; H466-D490 IonicContact ND1-OD2 3.92Å; H466-D490 PolarHBondContact ND1-OD2 2.95Å; H466-E544 WeakPolarHBondContact CA-OE1 3.24Å; H466-E544 PolarHBondContact N-OE1 3.25Å; H466-V548 VanDerWaalsContact CE1-CG1 3.46Å; H466-V548 WeakPolarHBondContact CE1-CG1 3.24Å
467	Q	95.4	Very high	92.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.6	-176.5	65.7	-170.2	-43.8	0	0	115.9	L433 S437 F464 D465 I469 R486 L487	L433-Q467 PolarHBondContact O-NE2 2.92Å; S437-Q467 WeakPolarHBondContact OG-CG 3.39Å; S437-Q467 PolarHBondContact OG-NE2 2.6Å; F464-Q467 WeakPolarHBondContact CA-O 3.33Å; F464-Q467 HydrophobicContact CB-CG 4.41Å; F464-Q467 WeakPolarHBondContact CB-O 3.33Å; F464-Q467 PolarHBondContact N-O 3Å; F464-Q467 PolarHBondContact O-N 3.46Å; D465-Q467 PolarHBondContact O-N 2.92Å; Q467-I469 HydrophobicContact CG-CD1 4.19Å; Q467-R486 VanDerWaalsContact OE1-NH1 3.13Å; Q467-L487 CarbonylContact C-O 3.46Å; Q467-L487 VanDerWaalsContact CA-O 3.29Å; Q467-L487 WeakPolarHBondContact CA-O 3.49Å
468	L	96.4	Very high	92.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108.9	177.9	174.9	66.5	0	0	0	110.3	F461 L463 R486 L487 M489 L515 W537 F541	F461-L468 HydrophobicContact CB-CD1 4.16Å; F461-L468 HydrophobicContact CD1-CD1 3.91Å; F461-L468 HydrophobicContact CD1-CD2 3.9Å; F461-L468 HydrophobicContact CD1-CG 3.87Å; F461-L468 HydrophobicContact CE1-CD2 4.25Å; L463-L468 HydrophobicContact CB-CD1 3.91Å; L463-L468 HydrophobicContact CD1-CB 4.19Å; L463-L468 HydrophobicContact CD1-CD1 4.18Å; L468-R486 CarbonylContact O-C 3.51Å; L468-R486 WeakPolarHBondContact O-CA 3.35Å; L468-L487 HydrophobicContact CB-CB 4.3Å; L468-L487 HydrophobicContact CD2-CD1 4.26Å; L468-L487 PolarHBondContact N-O 3.34Å; L468-L487 PolarHBondContact O-N 2.9Å; L468-M489 HydrophobicContact CB-CG 4.16Å; L468-M489 HydrophobicContact CB-SD 3.69Å; L468-M489 HydrophobicContact CD2-SD 4.28Å; L468-L515 HydrophobicContact CD2-CD1 3.54Å; L468-W537 HydrophobicContact CD1-CZ3 4.22Å; L468-F541 HydrophobicContact CD2-CE1 4.06Å; L468-F541 HydrophobicContact CD2-CZ 4.15Å
469	I	96.2	Very high	91.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.9	178.6	-46.8	-59.3	0	0	0	110.1	W421 W428 L433 F461 F462 F464 Q467 Y483 R486	W421-I469 HydrophobicContact CH2-CB 4.44Å; W421-I469 HydrophobicContact CH2-CG2 4.25Å; W428-I469 HydrophobicContact CH2-CD1 4.36Å; W428-I469 HydrophobicContact CH2-CG2 4.42Å; W428-I469 HydrophobicContact CZ3-CG2 4.28Å; L433-I469 HydrophobicContact CD2-CD1 3.73Å; L433-I469 HydrophobicContact CD2-CG1 3.72Å; F461-I469 CarbonylContact C-O 3.57Å; F461-I469 WeakPolarHBondContact CA-O 3.41Å; F462-I469 HydrophobicContact CB-CB 4.4Å; F462-I469 PolarHBondContact N-O 2.78Å; F462-I469 PolarHBondContact O-N 3.01Å; F464-I469 HydrophobicContact CD2-CG1 3.9Å; F464-I469 HydrophobicContact CE2-CB 4.46Å; F464-I469 HydrophobicContact CE2-CG1 3.78Å; Q467-I469 HydrophobicContact CG-CD1 4.19Å; I469-Y483 HydrophobicContact CG2-CD2 3.96Å; I469-Y483 HydrophobicContact CG2-CE2 3.91Å; I469-R486 HydrophobicContact CD1-CB 3.53Å
470	Y	95.4	Very high	91.3	Very high	27 Å²	27	49.2 Å²	49.2	11%	0.106	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138	169.7	63.8	-92.6	0	0	0	114.2	R448 R459 M460 F461 K484 G485 L487	R448-Y470 VanDerWaalsContact NH1-CE1 3.34Å; R448-Y470 PolarHBondContact NH1-OH 2.95Å; R459-Y470 HydrophobicContact CG-CD2 4.34Å; M460-Y470 CarbonylContact O-C 3.5Å; M460-Y470 WeakPolarHBondContact O-CA 3.25Å; F461-Y470 HydrophobicContact CD1-CG 4.44Å; F461-Y470 AromaticContact CE1-CD1 3.99Å; F461-Y470 HydrophobicContact CE1-CD1 3.99Å; F461-Y470 HydrophobicContact CE1-CG 4.01Å; F461-Y470 HydrophobicContact CZ-CD1 4.49Å; F461-Y470 HydrophobicContact CZ-CG 4.2Å; Y470-K484 HydrophobicContact CD2-CB 4.16Å; Y470-K484 HydrophobicContact CE2-CB 3.83Å; Y470-K484 WeakPolarHBondContact CE2-O 3.49Å; Y470-K484 PolarHBondContact O-N 3.03Å; Y470-K484 PolarHBondContact OH-O 3.37Å; Y470-G485 PolarHBondContact N-O 3.41Å; Y470-G485 WeakPolarHBondContact OH-CA 3.13Å; Y470-L487 HydrophobicContact CE1-CG 4.31Å
471	C	94.4	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154	-173.4	-58.6	0	0	0	0	112	R459 M460 F462 L481 Y482	R459-C471 WeakPolarHBondContact CA-O 3.48Å; R459-C471 WeakPolarHBondContact CB-O 3.44Å; R459-C471 WeakPolarHBondContact CD-O 3.29Å; M460-C471 PolarHBondContact N-O 2.86Å; M460-C471 PolarHBondContact O-N 2.94Å; F462-C471 HydrophobicContact CE2-CB 4.27Å; C471-L481 HydrophobicContact CB-CB 3.99Å; C471-L481 HydrophobicContact CB-CD2 4.16Å; C471-Y482 CarbonylContact C-O 3.58Å; C471-Y482 WeakPolarHBondContact CA-O 3.43Å; C471-Y482 WeakPolarHBondContact CB-O 3.33Å
472	K	94.6	Very high	91.3	Very high	73 Å²	73	51.7 Å²	51.7	32%	0.317	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123	170.1	-177.1	-149.5	165.5	-162.2	0	108.5	Y482 K484	K472-Y482 PolarHBondContact N-O 3.31Å; K472-Y482 PolarHBondContact O-N 2.95Å; K472-K484 HydrophobicContact CB-CG 4.03Å
473	K	90.9	Very high	91.3	Very high	80 Å²	80	52 Å²	52	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	145.5	167.2	-75.7	169.1	174.6	158.8	0	110.7	E445 M460 V480 L481	E445-K473 IonicContact OE1-NZ 2.85Å; E445-K473 PolarHBondContact OE1-NZ 2.85Å; M460-K473 HydrophobicContact CG-CD 4.14Å; M460-K473 VanDerWaalsContact CG-CE 3.45Å; M460-K473 HydrophobicContact CG-CG 4.07Å; M460-K473 WeakPolarHBondContact SD-CE 3.46Å; M460-K473 PolarHBondContact SD-NZ 2.96Å; K473-V480 WeakPolarHBondContact CA-O 3.19Å; K473-L481 HydrophobicContact CB-CD2 4.5Å; K473-L481 HydrophobicContact CG-CD2 3.68Å
474	D	90.3	Very high	91.3	Very high	35 Å²	35	55.7 Å²	55.7	19%	0.187	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66	156.4	165.9	-173.3	-115.8	0	0	0	111.8	L476 R477 V480 Y482	D474-L476 WeakPolarHBondContact OD1-CA 3.5Å; D474-L476 PolarHBondContact OD1-N 3.09Å; D474-R477 HydrophobicContact CB-CB 4.18Å; D474-R477 WeakPolarHBondContact CB-O 3.45Å; D474-R477 PolarHBondContact OD1-N 3.39Å; D474-V480 HydrophobicContact CB-CB 4.04Å; D474-V480 HydrophobicContact CB-CG1 4.33Å; D474-V480 PolarHBondContact N-O 3.49Å; D474-Y482 HydrophobicContact CB-CE2 3.79Å
475	L	84.9	Confident	91.2	Very high	148 Å²	148	56.1 Å²	56.1	78%	0.775	26%	0.256	S	S	*	.	S	Bend	trans	-77.1	-29.6	179.7	-67.9	172	0	0	0	112.9
476	L	83.9	Confident	91.3	Very high	160 Å²	160	58.8 Å²	58.8	84%	0.838	27%	0.266	S	S	*	.	S	Bend	trans	-105.4	-46.9	-178.4	-57.9	175.7	0	0	0	110.8	D474	D474-L476 WeakPolarHBondContact OD1-CA 3.5Å; D474-L476 PolarHBondContact OD1-N 3.09Å
477	R	84.6	Confident	91.3	Very high	136 Å²	136	58.1 Å²	58.1	51%	0.513	26%	0.263	S	S	.	.			trans	-97.1	85.7	-178.3	-75.3	-170.8	63.8	-159	-4.4	111.8	D474 D479 V480	D474-R477 HydrophobicContact CB-CB 4.18Å; D474-R477 WeakPolarHBondContact CB-O 3.45Å; D474-R477 PolarHBondContact OD1-N 3.39Å; R477-D479 WeakPolarHBondContact CA-OD1 3.49Å; R477-D479 VanDerWaalsContact CB-OD1 3.28Å; R477-D479 WeakPolarHBondContact CB-OD1 3.21Å; R477-D479 IonicContact CZ-OD2 3.39Å; R477-D479 IonicContact NE-OD1 3.96Å; R477-D479 IonicContact NE-OD2 3.82Å; R477-D479 PolarHBondContact NE-OD2 3.49Å; R477-D479 IonicContact NH2-OD2 2.68Å; R477-D479 PolarHBondContact NH2-OD2 2.78Å; R477-D479 PolarHBondContact O-N 3.21Å; R477-V480 HydrophobicContact CB-CB 4.08Å; R477-V480 HydrophobicContact CB-CG2 3.75Å; R477-V480 VanDerWaalsContact NH2-CG2 3.31Å; R477-V480 PolarHBondContact O-N 2.86Å
478	R	77.9	Confident	91.2	Very high	210 Å²	210	60.4 Å²	60.4	79%	0.792	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.7	-179.8	-63.4	-177.9	-177.8	172.9	1.8	114.4
479	D	81.3	Confident	91.1	Very high	84 Å²	84	60.5 Å²	60.5	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.5	171.2	55.7	-58.6	0	0	0	114.1	R477	R477-D479 WeakPolarHBondContact CA-OD1 3.49Å; R477-D479 VanDerWaalsContact CB-OD1 3.28Å; R477-D479 WeakPolarHBondContact CB-OD1 3.21Å; R477-D479 IonicContact CZ-OD2 3.39Å; R477-D479 IonicContact NE-OD1 3.96Å; R477-D479 IonicContact NE-OD2 3.82Å; R477-D479 PolarHBondContact NE-OD2 3.49Å; R477-D479 IonicContact NH2-OD2 2.68Å; R477-D479 PolarHBondContact NH2-OD2 2.78Å; R477-D479 PolarHBondContact O-N 3.21Å
480	V	88.8	Confident	90.9	Very high	10 Å²	10	63.8 Å²	63.8	6%	0.061	29%	0.293	C	S	.	.			trans	-90.2	136.4	-178	176	0	0	0	0	111.3	E426 K473 D474 R477 Y482	E426-V480 HydrophobicContact CG-CG1 4.09Å; K473-V480 WeakPolarHBondContact CA-O 3.19Å; D474-V480 HydrophobicContact CB-CB 4.04Å; D474-V480 HydrophobicContact CB-CG1 4.33Å; D474-V480 PolarHBondContact N-O 3.49Å; R477-V480 HydrophobicContact CB-CB 4.08Å; R477-V480 HydrophobicContact CB-CG2 3.75Å; R477-V480 VanDerWaalsContact NH2-CG2 3.31Å; R477-V480 PolarHBondContact O-N 2.86Å; V480-Y482 HydrophobicContact CG1-CD2 4.42Å; V480-Y482 HydrophobicContact CG1-CE1 4.49Å; V480-Y482 HydrophobicContact CG1-CE2 3.96Å
481	L	92.6	Very high	90.6	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	176.3	-67.1	171.4	0	0	0	109.2	I425 E426 M460 F462 C471 K473 W619	I425-L481 HydrophobicContact CD1-CB 3.61Å; I425-L481 HydrophobicContact CD1-CD1 3.85Å; I425-L481 HydrophobicContact CD1-CG 4.38Å; E426-L481 PolarHBondContact N-O 2.91Å; M460-L481 HydrophobicContact CB-CD2 4.28Å; M460-L481 HydrophobicContact CG-CD2 4.04Å; F462-L481 HydrophobicContact CE2-CD1 4.11Å; F462-L481 HydrophobicContact CZ-CD1 3.63Å; C471-L481 HydrophobicContact CB-CB 3.99Å; C471-L481 HydrophobicContact CB-CD2 4.16Å; K473-L481 HydrophobicContact CB-CD2 4.5Å; K473-L481 HydrophobicContact CG-CD2 3.68Å; L481-W619 HydrophobicContact CD1-CH2 4.07Å; L481-W619 HydrophobicContact CD1-CZ2 4.37Å
482	Y	95.3	Very high	90.4	Very high	65 Å²	65	65 Å²	65	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.7	169.6	-60.6	-83.5	0	0	0	109.3	E426 D427 C471 K472 D474 V480	E426-Y482 HydrophobicContact CB-CD1 3.55Å; E426-Y482 HydrophobicContact CB-CE1 3.7Å; E426-Y482 HydrophobicContact CB-CG 4.46Å; E426-Y482 HydrophobicContact CG-CD1 4.5Å; E426-Y482 HydrophobicContact CG-CE1 4.24Å; E426-Y482 CarbonylContact O-C 3.58Å; E426-Y482 WeakPolarHBondContact O-CA 3.37Å; D427-Y482 WeakPolarHBondContact OD2-CD1 3.21Å; C471-Y482 CarbonylContact C-O 3.58Å; C471-Y482 WeakPolarHBondContact CA-O 3.43Å; C471-Y482 WeakPolarHBondContact CB-O 3.33Å; K472-Y482 PolarHBondContact N-O 3.31Å; K472-Y482 PolarHBondContact O-N 2.95Å; D474-Y482 HydrophobicContact CB-CE2 3.79Å; V480-Y482 HydrophobicContact CG1-CD2 4.42Å; V480-Y482 HydrophobicContact CG1-CE1 4.49Å; V480-Y482 HydrophobicContact CG1-CE2 3.96Å
483	Y	96.4	Very high	90.3	Very high	9 Å²	9	67.7 Å²	67.7	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.8	172.7	177.3	-92.8	0	0	0	110.4	E426 D427 W428 E429 I469 G485 R486	E426-Y483 PolarHBondContact O-N 3.4Å; D427-Y483 WeakPolarHBondContact O-CB 3.45Å; W428-Y483 HydrophobicContact CD2-CD2 4.24Å; W428-Y483 AromaticContact CE3-CD2 3.6Å; W428-Y483 HydrophobicContact CE3-CD2 3.6Å; W428-Y483 HydrophobicContact CE3-CE2 4.23Å; W428-Y483 HydrophobicContact CE3-CG 4.2Å; W428-Y483 HydrophobicContact CH2-CD2 4.21Å; W428-Y483 HydrophobicContact CH2-CE2 4.14Å; W428-Y483 AromaticContact CZ3-CD2 3.59Å; W428-Y483 HydrophobicContact CZ3-CD2 3.59Å; W428-Y483 AromaticContact CZ3-CE2 4Å; W428-Y483 HydrophobicContact CZ3-CE2 4Å; E429-Y483 HydrophobicContact CB-CD1 4.02Å; E429-Y483 HydrophobicContact CB-CE1 3.69Å; E429-Y483 HydrophobicContact CG-CD1 4.35Å; E429-Y483 HydrophobicContact CG-CE1 4.42Å; E429-Y483 PolarHBondContact O-OH 2.65Å; I469-Y483 HydrophobicContact CG2-CD2 3.96Å; I469-Y483 HydrophobicContact CG2-CE2 3.91Å; Y483-G485 VanDerWaalsContact CE1-CA 3.47Å; Y483-G485 VanDerWaalsContact CE1-N 3.29Å; Y483-G485 VanDerWaalsContact CZ-C 3.46Å; Y483-G485 VanDerWaalsContact CZ-CA 3.42Å; Y483-G485 WeakPolarHBondContact OH-CA 3.5Å; Y483-R486 WeakPolarHBondContact OH-CG 3.49Å; Y483-R486 PolarHBondContact OH-N 3.31Å; Y483-R486 PolarHBondContact OH-NE 2.95Å
484	K	95.2	Very high	90.5	Very high	78 Å²	78	66 Å²	66	34%	0.339	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	12.2	175.1	-63.1	-65.1	149.6	-118.1	0	114	D427 Y470 K472	D427-K484 IonicContact OD2-NZ 3.74Å; D427-K484 PolarHBondContact OD2-NZ 3.06Å; Y470-K484 HydrophobicContact CD2-CB 4.16Å; Y470-K484 HydrophobicContact CE2-CB 3.83Å; Y470-K484 WeakPolarHBondContact CE2-O 3.49Å; Y470-K484 PolarHBondContact O-N 3.03Å; Y470-K484 PolarHBondContact OH-O 3.37Å; K472-K484 HydrophobicContact CB-CG 4.03Å
485	G	94.1	Very high	90.6	Very high	10 Å²	10	66.8 Å²	66.8	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136	172.1	174.3	0	0	0	0	0	113.8	Y470 Y483	Y470-G485 PolarHBondContact N-O 3.41Å; Y470-G485 WeakPolarHBondContact OH-CA 3.13Å; Y483-G485 VanDerWaalsContact CE1-CA 3.47Å; Y483-G485 VanDerWaalsContact CE1-N 3.29Å; Y483-G485 VanDerWaalsContact CZ-C 3.46Å; Y483-G485 VanDerWaalsContact CZ-CA 3.42Å; Y483-G485 WeakPolarHBondContact OH-CA 3.5Å
486	R	94.6	Very high	91	Very high	61 Å²	61	63.6 Å²	63.6	23%	0.23	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.8	176.3	66.7	-176.2	75.3	-166.2	13	110.2	E429 G430 E431 Q467 L468 I469 Y483	E429-R486 PolarHBondContact O-NH2 3.21Å; G430-R486 VanDerWaalsContact C-NH2 3.3Å; E431-R486 VanDerWaalsContact O-CZ 3.3Å; E431-R486 PolarHBondContact O-NH1 3.39Å; E431-R486 PolarHBondContact O-NH2 2.81Å; Q467-R486 VanDerWaalsContact OE1-NH1 3.13Å; L468-R486 CarbonylContact O-C 3.51Å; L468-R486 WeakPolarHBondContact O-CA 3.35Å; I469-R486 HydrophobicContact CD1-CB 3.53Å; Y483-R486 WeakPolarHBondContact OH-CG 3.49Å; Y483-R486 PolarHBondContact OH-N 3.31Å; Y483-R486 PolarHBondContact OH-NE 2.95Å
487	L	93.4	Very high	91.4	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.12	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.9	172.2	-63.5	176.5	0	0	0	108.5	Q467 L468 Y470 L492 L515 H524	Q467-L487 CarbonylContact C-O 3.46Å; Q467-L487 VanDerWaalsContact CA-O 3.29Å; Q467-L487 WeakPolarHBondContact CA-O 3.49Å; L468-L487 HydrophobicContact CB-CB 4.3Å; L468-L487 HydrophobicContact CD2-CD1 4.26Å; L468-L487 PolarHBondContact N-O 3.34Å; L468-L487 PolarHBondContact O-N 2.9Å; Y470-L487 HydrophobicContact CE1-CG 4.31Å; L487-L492 HydrophobicContact CB-CD1 3.91Å; L487-L515 HydrophobicContact CD1-CD1 3.9Å; L487-H524 VanDerWaalsContact CD2-CD2 3.47Å; L487-H524 WeakPolarHBondContact CD2-CD2 3.24Å; L487-H524 VanDerWaalsContact CD2-NE2 3.32Å; L487-H524 WeakPolarHBondContact CD2-NE2 3.46Å
488	D	93.3	Very high	91.6	Very high	53 Å²	53	59.3 Å²	59.3	28%	0.283	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.6	179.5	178.7	-15.6	0	0	0	108.9	R436 D490 L492 R517	R436-D488 IonicContact CZ-OD1 2.59Å; R436-D488 IonicContact CZ-OD2 2.72Å; R436-D488 IonicContact NH1-OD1 2.86Å; R436-D488 IonicContact NH1-OD2 2.71Å; R436-D488 PolarHBondContact NH1-OD2 3.45Å; R436-D488 VanDerWaalsContact NH2-CG 3.27Å; R436-D488 IonicContact NH2-OD1 3.53Å; R436-D488 PolarHBondContact NH2-OD1 3.28Å; R436-D488 IonicContact NH2-OD2 3.49Å; R436-D488 PolarHBondContact NH2-OD2 2.65Å; D488-D490 PolarHBondContact OD1-N 3.14Å; D488-D490 VanDerWaalsContact OD1-N 3.14Å; D488-L492 WeakPolarHBondContact O-CD1 3.35Å; D488-L492 WeakPolarHBondContact O-CG 3.34Å; D488-R517 PolarHBondContact O-NH2 3.17Å
489	M	94.6	Very high	92.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-76.2	-22.8	-171.6	-66.7	-57.1	-53.2	0	0	112.9	L463 H466 L468 G491 L492 V494 F541	L463-M489 HydrophobicContact CD1-CG 4.05Å; L463-M489 HydrophobicContact CD1-SD 4.27Å; H466-M489 PolarHBondContact O-N 2.95Å; L468-M489 HydrophobicContact CB-CG 4.16Å; L468-M489 HydrophobicContact CB-SD 3.69Å; L468-M489 HydrophobicContact CD2-SD 4.28Å; M489-G491 PolarHBondContact O-N 2.76Å; M489-L492 PolarHBondContact O-N 2.82Å; M489-L492 VanDerWaalsContact O-N 3.13Å; M489-L492 HydrophobicContact SD-CD1 4.17Å; M489-V494 HydrophobicContact CE-CG2 4.42Å; M489-F541 HydrophobicContact CE-CD1 3.56Å; M489-F541 HydrophobicContact CE-CE1 3.78Å; M489-F541 HydrophobicContact SD-CE1 4.22Å
490	D	92.3	Very high	92.6	Very high	69 Å²	69	51 Å²	51	37%	0.369	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-69.3	-18.4	-178.5	-62.1	-37.8	0	0	0	112.9	R436 H466 D488 R545	R436-D490 IonicContact CZ-OD2 2.74Å; R436-D490 IonicContact NH2-OD2 2.74Å; R436-D490 PolarHBondContact NH2-OD2 2.88Å; H466-D490 IonicContact CE1-OD1 3.18Å; H466-D490 IonicContact CE1-OD2 2.76Å; H466-D490 IonicContact CG-OD2 3.66Å; H466-D490 VanDerWaalsContact ND1-CG 3.33Å; H466-D490 IonicContact ND1-OD1 2.73Å; H466-D490 PolarHBondContact ND1-OD1 3.17Å; H466-D490 VanDerWaalsContact ND1-OD1 3.15Å; H466-D490 IonicContact ND1-OD2 3.92Å; H466-D490 PolarHBondContact ND1-OD2 2.95Å; D488-D490 PolarHBondContact OD1-N 3.14Å; D488-D490 VanDerWaalsContact OD1-N 3.14Å; D490-R545 IonicContact OD1-CZ 3.21Å; D490-R545 VanDerWaalsContact OD1-CZ 3.27Å; D490-R545 IonicContact OD1-NH1 3.15Å; D490-R545 PolarHBondContact OD1-NH1 2.83Å; D490-R545 IonicContact OD1-NH2 3.79Å; D490-R545 PolarHBondContact OD1-NH2 2.99Å
491	G	88.8	Confident	92.3	Very high	37 Å²	37	58.5 Å²	58.5	38%	0.381	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-115	30.3	172.4	0	0	0	0	0	113.7	M489 R517	M489-G491 PolarHBondContact O-N 2.76Å; G491-R517 WeakPolarHBondContact O-CG 3.37Å; G491-R517 PolarHBondContact O-NE 2.86Å
492	L	91.3	Very high	91.8	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.089	30%	0.304	C	S	.	.			trans	-132.3	127.7	178.4	-73.9	173.2	0	0	0	112.7	L487 D488 M489 L515 H516 R517	L487-L492 HydrophobicContact CB-CD1 3.91Å; D488-L492 WeakPolarHBondContact O-CD1 3.35Å; D488-L492 WeakPolarHBondContact O-CG 3.34Å; M489-L492 PolarHBondContact O-N 2.82Å; M489-L492 VanDerWaalsContact O-N 3.13Å; M489-L492 HydrophobicContact SD-CD1 4.17Å; L492-L515 HydrophobicContact CD1-CB 4.28Å; L492-L515 HydrophobicContact CD1-CD1 4.43Å; L492-L515 HydrophobicContact CD2-CB 4.22Å; L492-H516 WeakPolarHBondContact CA-O 3.43Å; L492-R517 HydrophobicContact CD2-CB 3.94Å
493	E	92.1	Very high	90.7	Very high	128 Å²	128	65.8 Å²	65.8	60%	0.598	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.4	169.2	-172.2	175.6	-168.3	0	0	110.2	L515 H516	E493-L515 WeakPolarHBondContact O-CA 3.35Å; E493-H516 PolarHBondContact N-O 2.95Å; E493-H516 PolarHBondContact O-N 2.88Å
494	V	94.4	Very high	89.6	Confident	46 Å²	46	70 Å²	70	28%	0.279	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	100.7	-177.2	-177.4	0	0	0	0	109	M489 L515 L538 F541	M489-V494 HydrophobicContact CE-CG2 4.42Å; V494-L515 HydrophobicContact CB-CD2 4.38Å; V494-L515 HydrophobicContact CG1-CD2 4.3Å; V494-L515 HydrophobicContact CG2-CD2 3.7Å; V494-L538 HydrophobicContact CG1-CD2 3.85Å; V494-F541 HydrophobicContact CG1-CB 4.42Å; V494-F541 HydrophobicContact CG1-CD2 3.93Å; V494-F541 HydrophobicContact CG1-CG 4.33Å; V494-F541 HydrophobicContact CG2-CB 3.84Å; V494-F541 HydrophobicContact CG2-CD1 4.21Å; V494-F541 HydrophobicContact CG2-CD2 4.23Å; V494-F541 HydrophobicContact CG2-CG 3.85Å
495	V	93.3	Very high	88.4	Confident	51 Å²	51	67.7 Å²	67.7	31%	0.309	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.9	-179.8	-177.4	0	0	0	0	109.3	L497 F513 R514	V495-L497 HydrophobicContact CG1-CD2 4.11Å; V495-F513 WeakPolarHBondContact O-CA 3.48Å; V495-R514 HydrophobicContact CB-CB 4.45Å; V495-R514 PolarHBondContact N-O 2.95Å; V495-R514 PolarHBondContact O-N 3.12Å
496	D	93.4	Very high	87.6	Confident	80 Å²	80	74.5 Å²	74.5	43%	0.428	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.4	169.7	-163.3	-8.3	0	0	0	110.1	K534 L538	D496-K534 WeakPolarHBondContact OD1-CE 3.35Å; D496-K534 IonicContact OD1-NZ 2.6Å; D496-K534 PolarHBondContact OD1-NZ 3.47Å; D496-K534 IonicContact OD2-NZ 3.16Å; D496-L538 HydrophobicContact CB-CD1 4.42Å; D496-L538 HydrophobicContact CB-CD2 4.45Å; D496-L538 VanDerWaalsContact OD2-CD1 3.27Å; D496-L538 WeakPolarHBondContact OD2-CD1 3.28Å
497	L	91.8	Very high	86.9	Confident	32 Å²	32	73.6 Å²	73.6	17%	0.168	38%	0.375	C	S	.	.			trans	-124.6	129.1	-178.6	-63.9	-179	0	0	0	111.5	V495 I509 A512 R514 L525 K534	V495-L497 HydrophobicContact CG1-CD2 4.11Å; L497-I509 HydrophobicContact CB-CD1 4.1Å; L497-I509 HydrophobicContact CD1-CD1 4.16Å; L497-A512 HydrophobicContact CB-CB 4.34Å; L497-A512 VanDerWaalsContact O-O 3.11Å; L497-R514 HydrophobicContact CD1-CB 3.79Å; L497-R514 HydrophobicContact CG-CB 4.25Å; L497-L525 HydrophobicContact CD1-CD1 3.61Å; L497-K534 PolarHBondContact O-NZ 3.14Å
498	E	89.9	Confident	86.5	Confident	175 Å²	175	76.6 Å²	76.6	82%	0.818	40%	0.398	S	S	*	.			trans	-67.4	155.6	174.2	-62.2	-173.7	157.7	0	0	112.6	G500 I509	E498-G500 PolarHBondContact O-N 3.11Å; E498-I509 WeakPolarHBondContact O-CD1 3.47Å
499	D	91	Very high	86.2	Confident	83 Å²	83	74.7 Å²	74.7	44%	0.444	39%	0.388	S	S	.	.	S	Bend	trans	-68.1	123.6	173.8	-90.8	38.5	0	0	0	110	I509 K510 N511	D499-I509 WeakPolarHBondContact CA-O 3.48Å; D499-K510 VanDerWaalsContact OD1-CA 3.31Å; D499-K510 WeakPolarHBondContact OD1-CA 3.32Å; D499-K510 WeakPolarHBondContact OD2-CA 3.42Å; D499-K510 VanDerWaalsContact OD2-CB 3.32Å; D499-K510 WeakPolarHBondContact OD2-CB 3.33Å; D499-K510 WeakPolarHBondContact OD2-CD 3.22Å; D499-K510 WeakPolarHBondContact OD2-CG 3.16Å; D499-N511 PolarHBondContact OD1-N 2.89Å
500	G	87.8	Confident	86.1	Confident	35 Å²	35	81.1 Å²	81.1	36%	0.361	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-140.6	-171.6	0	0	0	0	0	113.6	E498 S508 I509	E498-G500 PolarHBondContact O-N 3.11Å; G500-S508 CarbonylContact O-C 3.52Å; G500-S508 WeakPolarHBondContact O-CA 3.49Å; G500-I509 PolarHBondContact N-O 3.02Å; G500-I509 PolarHBondContact O-N 3.24Å
501	K	82.9	Confident	86.1	Confident	168 Å²	168	79.1 Å²	79.1	73%	0.73	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.5	168.4	-70.4	-174.6	-179.9	-179	0	109.5	R503 V507	K501-R503 PolarHBondContact O-N 3.01Å; K501-V507 WeakPolarHBondContact CA-O 3.39Å
502	D	81.6	Confident	86.3	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.032	39%	0.387	C	S	.	.			trans	-63.4	133.1	171.8	-174.8	104.8	0	0	0	109.9	D504 L505 H506 V507 I509 R514	D502-D504 VanDerWaalsContact C-N 3.32Å; D502-D504 PolarHBondContact O-N 2.83Å; D502-D504 PolarHBondContact OD2-N 3.31Å; D502-L505 HydrophobicContact CB-CB 4.19Å; D502-L505 WeakPolarHBondContact OD2-CB 3.45Å; D502-L505 PolarHBondContact OD2-N 2.93Å; D502-H506 VanDerWaalsContact O-CA 3.27Å; D502-H506 WeakPolarHBondContact O-CA 3.33Å; D502-H506 PolarHBondContact O-N 3.39Å; D502-V507 PolarHBondContact N-O 2.84Å; D502-I509 HydrophobicContact CB-CD1 4.16Å; D502-I509 HydrophobicContact CB-CG1 4.46Å; D502-I509 HydrophobicContact CB-CG2 3.88Å; D502-R514 IonicContact OD1-CZ 3.94Å; D502-R514 IonicContact OD1-NH2 3.23Å; D502-R514 PolarHBondContact OD1-NH2 3.06Å; D502-R514 IonicContact OD2-NH2 3.68Å; D502-R514 PolarHBondContact OD2-NH2 2.89Å
503	R	73.8	Confident	86.4	Confident	219 Å²	219	76.6 Å²	76.6	83%	0.826	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.6	-172	-62.3	-176.6	72.9	179.2	2.2	113.1	K501 H506	K501-R503 PolarHBondContact O-N 3.01Å; R503-H506 PolarHBondContact O-CE1 3.35Å; R503-H506 PolarHBondContact O-ND1 3.45Å
504	D	71.8	Confident	86.4	Confident	98 Å²	98	72 Å²	72	52%	0.524	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-27.4	-170.4	-39.5	-46.7	0	0	0	112	D502 R514	D502-D504 VanDerWaalsContact C-N 3.32Å; D502-D504 PolarHBondContact O-N 2.83Å; D502-D504 PolarHBondContact OD2-N 3.31Å; D504-R514 IonicContact OD2-CZ 2.76Å; D504-R514 IonicContact OD2-NH1 3.52Å; D504-R514 PolarHBondContact OD2-NH1 3.46Å; D504-R514 IonicContact OD2-NH2 3.22Å; D504-R514 PolarHBondContact OD2-NH2 2.84Å
505	L	71.3	Confident	86.4	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.4	178.9	-63.2	169.9	0	0	0	112.9	V449 Q451 D502 V507 L525	V449-L505 HydrophobicContact CG1-CD1 4.24Å; Q451-L505 HydrophobicContact CG-CD2 3.41Å; Q451-L505 VanDerWaalsContact CG-CD2 3.41Å; D502-L505 HydrophobicContact CB-CB 4.19Å; D502-L505 WeakPolarHBondContact OD2-CB 3.45Å; D502-L505 PolarHBondContact OD2-N 2.93Å; L505-V507 HydrophobicContact CB-CB 4.4Å; L505-V507 HydrophobicContact CB-CG2 4.07Å; L505-V507 PolarHBondContact O-N 3.38Å; L505-L525 HydrophobicContact CD1-CB 3.92Å; L505-L525 HydrophobicContact CD1-CD2 3.47Å; L505-L525 VanDerWaalsContact CD1-CD2 3.47Å; L505-L525 HydrophobicContact CD1-CG 4.31Å
506	H	75.7	Confident	86.1	Confident	153 Å²	153	70 Å²	70	71%	0.708	35%	0.345	S	S	*	.			trans	55.9	12.1	-172.5	-58.1	-35.5	0	0	0	115.4	D502 R503	D502-H506 VanDerWaalsContact O-CA 3.27Å; D502-H506 WeakPolarHBondContact O-CA 3.33Å; D502-H506 PolarHBondContact O-N 3.39Å; R503-H506 PolarHBondContact O-CE1 3.35Å; R503-H506 PolarHBondContact O-ND1 3.45Å
507	V	80.8	Confident	85.8	Confident	41 Å²	41	69.7 Å²	69.7	25%	0.248	34%	0.337	C	S	.	.			trans	-79.5	142.9	176.4	178.2	0	0	0	0	110.1	A454 K501 D502 L505 I509	A454-V507 HydrophobicContact CB-CG2 3.71Å; K501-V507 WeakPolarHBondContact CA-O 3.39Å; D502-V507 PolarHBondContact N-O 2.84Å; L505-V507 HydrophobicContact CB-CB 4.4Å; L505-V507 HydrophobicContact CB-CG2 4.07Å; L505-V507 PolarHBondContact O-N 3.38Å; V507-I509 PolarHBondContact O-N 2.95Å
508	S	84.4	Confident	84.7	Confident	87 Å²	87	71.2 Å²	71.2	61%	0.608	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	117	168.3	-171.6	0	0	0	0	109.8	G500	G500-S508 CarbonylContact O-C 3.52Å; G500-S508 WeakPolarHBondContact O-CA 3.49Å
509	I	88.2	Confident	83.6	Confident	13 Å²	13	67.7 Å²	67.7	7%	0.067	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.2	-176.4	55.2	170.4	0	0	0	111.1	L497 E498 D499 G500 D502 V507 A512 L525	L497-I509 HydrophobicContact CB-CD1 4.1Å; L497-I509 HydrophobicContact CD1-CD1 4.16Å; E498-I509 WeakPolarHBondContact O-CD1 3.47Å; D499-I509 WeakPolarHBondContact CA-O 3.48Å; G500-I509 PolarHBondContact N-O 3.02Å; G500-I509 PolarHBondContact O-N 3.24Å; D502-I509 HydrophobicContact CB-CD1 4.16Å; D502-I509 HydrophobicContact CB-CG1 4.46Å; D502-I509 HydrophobicContact CB-CG2 3.88Å; V507-I509 PolarHBondContact O-N 2.95Å; I509-A512 HydrophobicContact CB-CB 3.93Å; I509-A512 HydrophobicContact CD1-CB 4.25Å; I509-A512 HydrophobicContact CG2-CB 4.46Å; I509-L525 HydrophobicContact CG2-CD1 4.32Å; I509-L525 HydrophobicContact CG2-CD2 3.65Å
510	K	90.9	Very high	82.6	Confident	136 Å²	136	67.8 Å²	67.8	59%	0.591	37%	0.365	S	S	*	.	S	Bend	trans	-140.7	141.2	172.5	-66.8	-154.4	166.3	-161.4	0	111.1	D499 A512 C527	D499-K510 VanDerWaalsContact OD1-CA 3.31Å; D499-K510 WeakPolarHBondContact OD1-CA 3.32Å; D499-K510 WeakPolarHBondContact OD2-CA 3.42Å; D499-K510 VanDerWaalsContact OD2-CB 3.32Å; D499-K510 WeakPolarHBondContact OD2-CB 3.33Å; D499-K510 WeakPolarHBondContact OD2-CD 3.22Å; D499-K510 WeakPolarHBondContact OD2-CG 3.16Å; K510-A512 PolarHBondContact O-N 3.37Å; K510-C527 WeakPolarHBondContact O-CB 3.4Å
511	N	92.2	Very high	81.9	Confident	28 Å²	28	68.6 Å²	68.6	15%	0.15	37%	0.373	C	S	.	.	S	Bend	trans	46.4	44.2	-174.6	-49	-72.4	0	0	0	112.1	D499 C527 T528 P531 K534	D499-N511 PolarHBondContact OD1-N 2.89Å; N511-C527 WeakPolarHBondContact O-CA 3.47Å; N511-T528 VanDerWaalsContact CB-OG1 3.23Å; N511-T528 WeakPolarHBondContact CB-OG1 3.49Å; N511-T528 PolarHBondContact O-N 2.84Å; N511-T528 VanDerWaalsContact O-N 3.09Å; N511-T528 PolarHBondContact O-OG1 2.7Å; N511-P531 WeakPolarHBondContact OD1-CA 3.45Å; N511-P531 WeakPolarHBondContact OD1-CB 2.96Å; N511-P531 WeakPolarHBondContact OD1-CD 3.21Å; N511-P531 VanDerWaalsContact OD1-N 3.09Å; N511-K534 HydrophobicContact CB-CB 4.33Å; N511-K534 HydrophobicContact CB-CD 4.43Å
512	A	93.2	Very high	81.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	158.7	-174.3	0	0	0	0	0	112.8	L497 I509 K510 L525 L526 C527 K534	L497-A512 HydrophobicContact CB-CB 4.34Å; L497-A512 VanDerWaalsContact O-O 3.11Å; I509-A512 HydrophobicContact CB-CB 3.93Å; I509-A512 HydrophobicContact CD1-CB 4.25Å; I509-A512 HydrophobicContact CG2-CB 4.46Å; K510-A512 PolarHBondContact O-N 3.37Å; A512-L525 HydrophobicContact CB-CD1 4.01Å; A512-L526 VanDerWaalsContact CA-O 3.29Å; A512-L526 WeakPolarHBondContact CA-O 3.33Å; A512-C527 HydrophobicContact CB-CB 4.17Å; A512-K534 VanDerWaalsContact O-CE 3.22Å; A512-K534 WeakPolarHBondContact O-CE 3.02Å; A512-K534 PolarHBondContact O-NZ 3.11Å
513	F	94.5	Very high	82	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	166	165.6	58.2	-88.9	0	0	0	108.1	L446 V495 L526 T528 K534 W537 L538 F541	L446-F513 HydrophobicContact CD1-CZ 3.98Å; L446-F513 HydrophobicContact CD2-CE1 4.08Å; L446-F513 HydrophobicContact CD2-CZ 4Å; V495-F513 WeakPolarHBondContact O-CA 3.48Å; F513-L526 HydrophobicContact CD2-CB 4.17Å; F513-L526 HydrophobicContact CD2-CD1 4.38Å; F513-L526 HydrophobicContact CE1-CB 4.35Å; F513-L526 HydrophobicContact CE2-CB 3.72Å; F513-L526 HydrophobicContact CE2-CD1 3.58Å; F513-L526 HydrophobicContact CE2-CG 4.26Å; F513-L526 HydrophobicContact CZ-CB 3.83Å; F513-L526 HydrophobicContact CZ-CD1 4.14Å; F513-L526 PolarHBondContact N-O 3.2Å; F513-L526 PolarHBondContact O-N 3.29Å; F513-T528 HydrophobicContact CE1-CG2 4.38Å; F513-K534 HydrophobicContact CD1-CG 4.39Å; F513-W537 HydrophobicContact CE1-CB 3.93Å; F513-W537 HydrophobicContact CE1-CG 4.34Å; F513-W537 HydrophobicContact CZ-CB 3.87Å; F513-W537 HydrophobicContact CZ-CG 4.11Å; F513-L538 HydrophobicContact CB-CD2 4.06Å; F513-L538 HydrophobicContact CG-CD2 4.33Å; F513-F541 HydrophobicContact CD2-CE2 4.21Å; F513-F541 HydrophobicContact CE2-CD2 4.46Å; F513-F541 AromaticContact CE2-CE2 3.47Å; F513-F541 HydrophobicContact CE2-CE2 3.47Å; F513-F541 VanDerWaalsContact CE2-CE2 3.47Å; F513-F541 HydrophobicContact CE2-CZ 4.07Å; F513-F541 AromaticContact CZ-CE2 3.96Å; F513-F541 HydrophobicContact CZ-CE2 3.96Å
514	R	92.3	Very high	82.7	Confident	32 Å²	32	58.1 Å²	58.1	12%	0.121	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.6	-173.5	174.7	-174.3	-72.7	-147.2	2.6	110.6	V495 L497 D502 D504 S523 H524	V495-R514 HydrophobicContact CB-CB 4.45Å; V495-R514 PolarHBondContact N-O 2.95Å; V495-R514 PolarHBondContact O-N 3.12Å; L497-R514 HydrophobicContact CD1-CB 3.79Å; L497-R514 HydrophobicContact CG-CB 4.25Å; D502-R514 IonicContact OD1-CZ 3.94Å; D502-R514 IonicContact OD1-NH2 3.23Å; D502-R514 PolarHBondContact OD1-NH2 3.06Å; D502-R514 IonicContact OD2-NH2 3.68Å; D502-R514 PolarHBondContact OD2-NH2 2.89Å; D504-R514 IonicContact OD2-CZ 2.76Å; D504-R514 IonicContact OD2-NH1 3.52Å; D504-R514 PolarHBondContact OD2-NH1 3.46Å; D504-R514 IonicContact OD2-NH2 3.22Å; D504-R514 PolarHBondContact OD2-NH2 2.84Å; R514-S523 VanDerWaalsContact CD-OG 3.26Å; R514-S523 WeakPolarHBondContact CD-OG 3.42Å; R514-S523 PolarHBondContact NE-OG 2.87Å; R514-S523 PolarHBondContact NH1-OG 3.05Å; R514-H524 WeakPolarHBondContact CA-O 3.4Å
515	L	92.8	Very high	83.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.1	166.3	-50.4	178.1	0	0	0	107.7	L468 L487 L492 E493 V494 S523 H524 L526 F541	L468-L515 HydrophobicContact CD2-CD1 3.54Å; L487-L515 HydrophobicContact CD1-CD1 3.9Å; L492-L515 HydrophobicContact CD1-CB 4.28Å; L492-L515 HydrophobicContact CD1-CD1 4.43Å; L492-L515 HydrophobicContact CD2-CB 4.22Å; E493-L515 WeakPolarHBondContact O-CA 3.35Å; V494-L515 HydrophobicContact CB-CD2 4.38Å; V494-L515 HydrophobicContact CG1-CD2 4.3Å; V494-L515 HydrophobicContact CG2-CD2 3.7Å; L515-S523 WeakPolarHBondContact O-CA 3.45Å; L515-H524 HydrophobicContact CB-CB 4.33Å; L515-H524 PolarHBondContact N-O 3.27Å; L515-H524 PolarHBondContact O-N 3.08Å; L515-L526 HydrophobicContact CD1-CD1 3.68Å; L515-L526 HydrophobicContact CG-CD1 3.88Å; L515-F541 HydrophobicContact CD2-CE1 4.29Å; L515-F541 HydrophobicContact CD2-CE2 4.39Å; L515-F541 HydrophobicContact CD2-CZ 4.1Å
516	H	88.6	Confident	84.7	Confident	56 Å²	56	52.3 Å²	52.3	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	-176.3	179.4	46.6	0	0	0	111.8	L492 E493 D522	L492-H516 WeakPolarHBondContact CA-O 3.43Å; E493-H516 PolarHBondContact N-O 2.95Å; E493-H516 PolarHBondContact O-N 2.88Å; H516-D522 WeakPolarHBondContact CA-O 3.46Å; H516-D522 PolarHBondContact ND1-O 2.86Å
517	R	85.8	Confident	85.6	Confident	73 Å²	73	46.3 Å²	46.3	28%	0.275	29%	0.287	S	S	.	.			trans	-103.2	96.2	173.4	-178.2	166	-76	-171.4	-6	110	D488 G491 L492 A519 T520 G521 D522	D488-R517 PolarHBondContact O-NH2 3.17Å; G491-R517 WeakPolarHBondContact O-CG 3.37Å; G491-R517 PolarHBondContact O-NE 2.86Å; L492-R517 HydrophobicContact CD2-CB 3.94Å; R517-A519 PolarHBondContact O-N 2.92Å; R517-T520 WeakPolarHBondContact CD-OG1 3.2Å; R517-T520 HydrophobicContact CG-CG2 4.23Å; R517-T520 VanDerWaalsContact CG-OG1 3.22Å; R517-T520 WeakPolarHBondContact CG-OG1 3.34Å; R517-T520 PolarHBondContact O-N 3.31Å; R517-T520 VanDerWaalsContact O-N 3.11Å; R517-G521 PolarHBondContact O-N 2.69Å; R517-D522 HydrophobicContact CB-CB 4.09Å; R517-D522 PolarHBondContact N-O 3.04Å
518	G	69.6	Low	86.2	Confident	63 Å²	63	44.9 Å²	44.9	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.2	-176.9	0	0	0	0	0	115
519	A	66.7	Low	86.5	Confident	101 Å²	101	48.8 Å²	48.8	84%	0.835	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.4	-179.8	0	0	0	0	0	115.3	R517	R517-A519 PolarHBondContact O-N 2.92Å
520	T	70.1	Confident	86.6	Confident	85 Å²	85	53 Å²	53	52%	0.521	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-13.9	-176.2	61.7	0	0	0	0	113.9	R517 D522	R517-T520 WeakPolarHBondContact CD-OG1 3.2Å; R517-T520 HydrophobicContact CG-CG2 4.23Å; R517-T520 VanDerWaalsContact CG-OG1 3.22Å; R517-T520 WeakPolarHBondContact CG-OG1 3.34Å; R517-T520 PolarHBondContact O-N 3.31Å; R517-T520 VanDerWaalsContact O-N 3.11Å; T520-D522 VanDerWaalsContact C-N 3.25Å; T520-D522 WeakPolarHBondContact CB-OD2 3.42Å; T520-D522 PolarHBondContact O-N 3.46Å; T520-D522 PolarHBondContact OG1-N 3.25Å; T520-D522 PolarHBondContact OG1-OD2 2.67Å
521	G	72.1	Confident	86.7	Confident	52 Å²	52	50 Å²	50	54%	0.536	29%	0.292	S	S	.	.			trans	82.3	-3.2	-172.4	0	0	0	0	0	114	R517 S523	R517-G521 PolarHBondContact O-N 2.69Å; G521-S523 PolarHBondContact O-N 3.32Å
522	D	80.6	Confident	86.7	Confident	78 Å²	78	52.9 Å²	52.9	42%	0.417	31%	0.305	S	S	.	.			trans	-59.4	139.3	178.9	-69	-62.6	0	0	0	111	H516 R517 T520	H516-D522 WeakPolarHBondContact CA-O 3.46Å; H516-D522 PolarHBondContact ND1-O 2.86Å; R517-D522 HydrophobicContact CB-CB 4.09Å; R517-D522 PolarHBondContact N-O 3.04Å; T520-D522 VanDerWaalsContact C-N 3.25Å; T520-D522 WeakPolarHBondContact CB-OD2 3.42Å; T520-D522 PolarHBondContact O-N 3.46Å; T520-D522 PolarHBondContact OG1-N 3.25Å; T520-D522 PolarHBondContact OG1-OD2 2.67Å
523	S	86.2	Confident	86.6	Confident	41 Å²	41	56 Å²	56	29%	0.287	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.6	-173.5	177.8	0	0	0	0	110.2	R514 L515 G521	R514-S523 VanDerWaalsContact CD-OG 3.26Å; R514-S523 WeakPolarHBondContact CD-OG 3.42Å; R514-S523 PolarHBondContact NE-OG 2.87Å; R514-S523 PolarHBondContact NH1-OG 3.05Å; L515-S523 WeakPolarHBondContact O-CA 3.45Å; G521-S523 PolarHBondContact O-N 3.32Å
524	H	89	Confident	86.6	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.25	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	99.6	-179.7	-57	-31.5	0	0	0	109.8	L487 R514 L515	L487-H524 VanDerWaalsContact CD2-CD2 3.47Å; L487-H524 WeakPolarHBondContact CD2-CD2 3.24Å; L487-H524 VanDerWaalsContact CD2-NE2 3.32Å; L487-H524 WeakPolarHBondContact CD2-NE2 3.46Å; R514-H524 WeakPolarHBondContact CA-O 3.4Å; L515-H524 HydrophobicContact CB-CB 4.33Å; L515-H524 PolarHBondContact N-O 3.27Å; L515-H524 PolarHBondContact O-N 3.08Å
525	L	91.5	Very high	86.7	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.7	172.9	178.7	66.9	0	0	0	110.1	R448 V449 L497 L505 I509 A512	R448-L525 WeakPolarHBondContact CA-O 3.48Å; V449-L525 HydrophobicContact CB-CB 4.28Å; V449-L525 HydrophobicContact CB-CD2 3.98Å; V449-L525 HydrophobicContact CB-CG 4.34Å; V449-L525 HydrophobicContact CG1-CD2 4.45Å; V449-L525 HydrophobicContact CG2-CD2 3.96Å; V449-L525 HydrophobicContact CG2-CG 4.35Å; V449-L525 PolarHBondContact N-O 3Å; L497-L525 HydrophobicContact CD1-CD1 3.61Å; L505-L525 HydrophobicContact CD1-CB 3.92Å; L505-L525 HydrophobicContact CD1-CD2 3.47Å; L505-L525 VanDerWaalsContact CD1-CD2 3.47Å; L505-L525 HydrophobicContact CD1-CG 4.31Å; I509-L525 HydrophobicContact CG2-CD1 4.32Å; I509-L525 HydrophobicContact CG2-CD2 3.65Å; A512-L525 HydrophobicContact CB-CD1 4.01Å
526	L	94	Very high	86.7	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.8	178.5	-63.4	172	0	0	0	109.5	L446 T447 R448 F461 A512 F513 L515	L446-L526 HydrophobicContact CD1-CD1 4.26Å; T447-L526 WeakPolarHBondContact O-CA 3.46Å; R448-L526 HydrophobicContact CB-CD2 3.71Å; F461-L526 HydrophobicContact CE1-CD1 4.48Å; F461-L526 HydrophobicContact CE1-CD2 3.99Å; F461-L526 HydrophobicContact CE2-CD2 4.1Å; F461-L526 HydrophobicContact CZ-CD2 3.47Å; F461-L526 VanDerWaalsContact CZ-CD2 3.47Å; A512-L526 VanDerWaalsContact CA-O 3.29Å; A512-L526 WeakPolarHBondContact CA-O 3.33Å; F513-L526 HydrophobicContact CD2-CB 4.17Å; F513-L526 HydrophobicContact CD2-CD1 4.38Å; F513-L526 HydrophobicContact CE1-CB 4.35Å; F513-L526 HydrophobicContact CE2-CB 3.72Å; F513-L526 HydrophobicContact CE2-CD1 3.58Å; F513-L526 HydrophobicContact CE2-CG 4.26Å; F513-L526 HydrophobicContact CZ-CB 3.83Å; F513-L526 HydrophobicContact CZ-CD1 4.14Å; F513-L526 PolarHBondContact N-O 3.2Å; F513-L526 PolarHBondContact O-N 3.29Å; L515-L526 HydrophobicContact CD1-CD1 3.68Å; L515-L526 HydrophobicContact CG-CD1 3.88Å
527	C	93	Very high	87	Confident	27 Å²	27	63 Å²	63	18%	0.182	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.5	173	59.4	0	0	0	0	113.2	T447 K510 N511 A512	T447-C527 PolarHBondContact N-O 3.4Å; T447-C527 PolarHBondContact O-N 3.22Å; K510-C527 WeakPolarHBondContact O-CB 3.4Å; N511-C527 WeakPolarHBondContact O-CA 3.47Å; A512-C527 HydrophobicContact CB-CB 4.17Å
528	T	94.1	Very high	87.4	Confident	11 Å²	11	60.8 Å²	60.8	7%	0.067	34%	0.342	C	S	.	.			trans	-97.8	168.4	176.2	58	0	0	0	0	111.4	L446 N511 F513 K530 Q533 K534	L446-T528 HydrophobicContact CD2-CG2 3.38Å; N511-T528 VanDerWaalsContact CB-OG1 3.23Å; N511-T528 WeakPolarHBondContact CB-OG1 3.49Å; N511-T528 PolarHBondContact O-N 2.84Å; N511-T528 VanDerWaalsContact O-N 3.09Å; N511-T528 PolarHBondContact O-OG1 2.7Å; F513-T528 HydrophobicContact CE1-CG2 4.38Å; T528-K530 VanDerWaalsContact C-N 3.31Å; T528-K530 PolarHBondContact OG1-O 3.2Å; T528-Q533 HydrophobicContact CG2-CB 3.69Å; T528-K534 HydrophobicContact CG2-CB 4.42Å; T528-K534 PolarHBondContact OG1-N 3.34Å
529	R	90.6	Very high	88.6	Confident	169 Å²	169	65.1 Å²	65.1	64%	0.638	34%	0.342	S	S	*	.	S	Bend	trans	-79.7	-16.3	173.6	-64.1	-175.5	177.9	-155.5	0	112.9	Q458 Q533	Q458-R529 VanDerWaalsContact OE1-NH2 3.15Å; R529-Q533 VanDerWaalsContact N-OE1 3.14Å
530	K	91.5	Very high	89.9	Confident	103 Å²	103	60.7 Å²	60.7	45%	0.448	31%	0.305	S	S	.	.	S	Bend	trans	-145.6	151.3	-170.8	-70.6	-152.9	-175.4	-168.6	0	113	T528 E532 Q533 K534	T528-K530 VanDerWaalsContact C-N 3.31Å; T528-K530 PolarHBondContact OG1-O 3.2Å; K530-E532 WeakPolarHBondContact CB-OE1 3.32Å; K530-E532 WeakPolarHBondContact CD-OE1 3.5Å; K530-E532 WeakPolarHBondContact CD-OE2 3.42Å; K530-E532 IonicContact NZ-OE2 2.96Å; K530-E532 PolarHBondContact NZ-OE2 2.94Å; K530-Q533 HydrophobicContact CB-CB 4.37Å; K530-Q533 HydrophobicContact CB-CG 4.02Å; K530-Q533 WeakPolarHBondContact O-CB 3.47Å; K530-Q533 PolarHBondContact O-N 3.14Å; K530-K534 PolarHBondContact O-N 3.27Å
531	P	92.9	Very high	91.1	Very high	73 Å²	73	56.8 Å²	56.8	47%	0.474	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-37.5	175.8	25.5	-33.2	0	0	0	112.7	N511 Q533 K534 Q535	N511-P531 WeakPolarHBondContact OD1-CA 3.45Å; N511-P531 WeakPolarHBondContact OD1-CB 2.96Å; N511-P531 WeakPolarHBondContact OD1-CD 3.21Å; N511-P531 VanDerWaalsContact OD1-N 3.09Å; P531-Q533 PolarHBondContact O-N 3.31Å; P531-K534 PolarHBondContact O-N 3.38Å; P531-K534 VanDerWaalsContact O-N 3.1Å; P531-Q535 PolarHBondContact O-N 2.78Å; P531-Q535 VanDerWaalsContact O-N 3.08Å
532	E	92.3	Very high	92.2	Very high	88 Å²	88	56.6 Å²	56.6	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-34.3	177.7	-37	89.8	-92.9	0	0	111.7	K530 R536	K530-E532 WeakPolarHBondContact CB-OE1 3.32Å; K530-E532 WeakPolarHBondContact CD-OE1 3.5Å; K530-E532 WeakPolarHBondContact CD-OE2 3.42Å; K530-E532 IonicContact NZ-OE2 2.96Å; K530-E532 PolarHBondContact NZ-OE2 2.94Å; E532-R536 VanDerWaalsContact O-CG 3.29Å; E532-R536 WeakPolarHBondContact O-CG 3.48Å; E532-R536 PolarHBondContact O-N 2.71Å; E532-R536 VanDerWaalsContact O-N 3.08Å
533	Q	91.1	Very high	92.7	Very high	64 Å²	64	56.8 Å²	56.8	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-69.8	-39.8	177.7	-68	174.6	-24.9	0	0	111.5	T528 R529 K530 P531 R536 W537	T528-Q533 HydrophobicContact CG2-CB 3.69Å; R529-Q533 VanDerWaalsContact N-OE1 3.14Å; K530-Q533 HydrophobicContact CB-CB 4.37Å; K530-Q533 HydrophobicContact CB-CG 4.02Å; K530-Q533 WeakPolarHBondContact O-CB 3.47Å; K530-Q533 PolarHBondContact O-N 3.14Å; P531-Q533 PolarHBondContact O-N 3.31Å; Q533-R536 PolarHBondContact O-N 2.92Å; Q533-W537 VanDerWaalsContact O-CD1 3.27Å; Q533-W537 PolarHBondContact O-N 3.24Å
534	K	94	Very high	93.1	Very high	18 Å²	18	54.8 Å²	54.8	8%	0.078	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-48.5	176.8	163.9	175.1	170.1	172	0	110	D496 L497 N511 A512 F513 T528 K530 P531 R536 W537 L538	D496-K534 WeakPolarHBondContact OD1-CE 3.35Å; D496-K534 IonicContact OD1-NZ 2.6Å; D496-K534 PolarHBondContact OD1-NZ 3.47Å; D496-K534 IonicContact OD2-NZ 3.16Å; L497-K534 PolarHBondContact O-NZ 3.14Å; N511-K534 HydrophobicContact CB-CB 4.33Å; N511-K534 HydrophobicContact CB-CD 4.43Å; A512-K534 VanDerWaalsContact O-CE 3.22Å; A512-K534 WeakPolarHBondContact O-CE 3.02Å; A512-K534 PolarHBondContact O-NZ 3.11Å; F513-K534 HydrophobicContact CD1-CG 4.39Å; T528-K534 HydrophobicContact CG2-CB 4.42Å; T528-K534 PolarHBondContact OG1-N 3.34Å; K530-K534 PolarHBondContact O-N 3.27Å; P531-K534 PolarHBondContact O-N 3.38Å; P531-K534 VanDerWaalsContact O-N 3.1Å; K534-R536 VanDerWaalsContact C-N 3.31Å; K534-R536 PolarHBondContact O-N 2.89Å; K534-W537 PolarHBondContact O-N 3.31Å; K534-W537 VanDerWaalsContact O-N 3.13Å; K534-L538 HydrophobicContact CG-CD1 3.92Å; K534-L538 HydrophobicContact CG-CG 4.43Å; K534-L538 WeakPolarHBondContact O-CG 3.29Å; K534-L538 PolarHBondContact O-N 2.89Å
535	Q	93.9	Very high	93.4	Very high	96 Å²	96	56.1 Å²	56.1	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-34.9	178.6	-68.7	-60.9	-30.2	0	0	112.8	P531 K539	P531-Q535 PolarHBondContact O-N 2.78Å; P531-Q535 VanDerWaalsContact O-N 3.08Å; Q535-K539 WeakPolarHBondContact O-CB 3.43Å; Q535-K539 WeakPolarHBondContact O-CG 3.35Å; Q535-K539 PolarHBondContact O-N 2.74Å; Q535-K539 VanDerWaalsContact O-N 3.11Å
536	R	92.9	Very high	93.4	Very high	117 Å²	117	62 Å²	62	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-40.9	171.9	-73.1	170.3	-175.7	-176	0.2	112.8	Y442 E532 Q533 K534 A540	Y442-R536 HydrophobicContact CE1-CB 4.45Å; E532-R536 VanDerWaalsContact O-CG 3.29Å; E532-R536 WeakPolarHBondContact O-CG 3.48Å; E532-R536 PolarHBondContact O-N 2.71Å; E532-R536 VanDerWaalsContact O-N 3.08Å; Q533-R536 PolarHBondContact O-N 2.92Å; K534-R536 VanDerWaalsContact C-N 3.31Å; K534-R536 PolarHBondContact O-N 2.89Å; R536-A540 WeakPolarHBondContact O-CB 3.48Å; R536-A540 PolarHBondContact O-N 3.47Å
537	W	94.8	Very high	93.1	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-46.2	175.4	-85.7	105.8	0	0	0	112.4	Y442 L446 F461 L463 L468 F513 Q533 K534 K539 A540 F541	Y442-W537 AromaticContact CD1-CD2 3.79Å; Y442-W537 HydrophobicContact CD1-CD2 3.79Å; Y442-W537 AromaticContact CD1-CE2 3.84Å; Y442-W537 AromaticContact CD1-CE3 3.88Å; Y442-W537 HydrophobicContact CD1-CE3 3.88Å; Y442-W537 HydrophobicContact CD1-CG 4.4Å; Y442-W537 HydrophobicContact CD1-CH2 4.06Å; Y442-W537 AromaticContact CD1-CZ2 4Å; Y442-W537 HydrophobicContact CD1-CZ2 4Å; Y442-W537 HydrophobicContact CD1-CZ3 4.02Å; Y442-W537 AromaticContact CE1-CD2 3.93Å; Y442-W537 HydrophobicContact CE1-CD2 3.93Å; Y442-W537 AromaticContact CE1-CE2 3.77Å; Y442-W537 HydrophobicContact CE1-CE3 4.48Å; Y442-W537 HydrophobicContact CE1-CG 4.17Å; Y442-W537 HydrophobicContact CE1-CZ2 4.19Å; Y442-W537 AromaticContact CE1-NE1 3.89Å; L446-W537 HydrophobicContact CD1-CD2 3.96Å; L446-W537 HydrophobicContact CD1-CE3 4.33Å; L446-W537 HydrophobicContact CD1-CH2 4.17Å; L446-W537 HydrophobicContact CD1-CZ2 3.76Å; L446-W537 HydrophobicContact CD1-CZ3 4.42Å; L446-W537 HydrophobicContact CD2-CG 4.39Å; L446-W537 HydrophobicContact CG-CD2 4.48Å; L446-W537 HydrophobicContact CG-CZ2 4.03Å; F461-W537 HydrophobicContact CB-CH2 3.55Å; F461-W537 HydrophobicContact CB-CZ2 3.96Å; F461-W537 HydrophobicContact CB-CZ3 4.44Å; L463-W537 HydrophobicContact CB-CZ3 4.16Å; L468-W537 HydrophobicContact CD1-CZ3 4.22Å; F513-W537 HydrophobicContact CE1-CB 3.93Å; F513-W537 HydrophobicContact CE1-CG 4.34Å; F513-W537 HydrophobicContact CZ-CB 3.87Å; F513-W537 HydrophobicContact CZ-CG 4.11Å; Q533-W537 VanDerWaalsContact O-CD1 3.27Å; Q533-W537 PolarHBondContact O-N 3.24Å; K534-W537 PolarHBondContact O-N 3.31Å; K534-W537 VanDerWaalsContact O-N 3.13Å; W537-K539 PolarHBondContact O-N 3.03Å; W537-A540 WeakPolarHBondContact O-CB 3.43Å; W537-A540 PolarHBondContact O-N 3.13Å; W537-A540 VanDerWaalsContact O-N 3.1Å; W537-F541 HydrophobicContact CB-CE2 4.25Å; W537-F541 AromaticContact CE3-CE2 3.83Å; W537-F541 HydrophobicContact CE3-CE2 3.83Å; W537-F541 AromaticContact CE3-CZ 3.78Å; W537-F541 HydrophobicContact CE3-CZ 3.78Å; W537-F541 HydrophobicContact CZ3-CZ 4.17Å; W537-F541 WeakPolarHBondContact O-CD2 3.26Å; W537-F541 PolarHBondContact O-N 3.11Å
538	L	95.4	Very high	93	Very high	28 Å²	28	61.7 Å²	61.7	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-45.5	177.1	-67.5	170.3	0	0	0	111.8	V494 D496 F513 K534 A540 F541 A542	V494-L538 HydrophobicContact CG1-CD2 3.85Å; D496-L538 HydrophobicContact CB-CD1 4.42Å; D496-L538 HydrophobicContact CB-CD2 4.45Å; D496-L538 VanDerWaalsContact OD2-CD1 3.27Å; D496-L538 WeakPolarHBondContact OD2-CD1 3.28Å; F513-L538 HydrophobicContact CB-CD2 4.06Å; F513-L538 HydrophobicContact CG-CD2 4.33Å; K534-L538 HydrophobicContact CG-CD1 3.92Å; K534-L538 HydrophobicContact CG-CG 4.43Å; K534-L538 WeakPolarHBondContact O-CG 3.29Å; K534-L538 PolarHBondContact O-N 2.89Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 3.13Å; L538-F541 PolarHBondContact O-N 3.05Å; L538-A542 PolarHBondContact O-N 3.34Å
539	K	94.3	Very high	92.7	Very high	154 Å²	154	66.6 Å²	66.6	67%	0.67	30%	0.304	S	S	*	.	H	α-helix	trans	-63.7	-34.5	174	-71.8	-174.4	178.5	-163.3	0	113.3	Q535 W537 R543	Q535-K539 WeakPolarHBondContact O-CB 3.43Å; Q535-K539 WeakPolarHBondContact O-CG 3.35Å; Q535-K539 PolarHBondContact O-N 2.74Å; Q535-K539 VanDerWaalsContact O-N 3.11Å; W537-K539 PolarHBondContact O-N 3.03Å; K539-R543 WeakPolarHBondContact O-CB 3.48Å; K539-R543 PolarHBondContact O-N 2.86Å
540	A	92.6	Very high	92.3	Very high	7 Å²	7	61.9 Å²	61.9	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-37.4	176	0	0	0	0	0	112.4	Y442 L463 R536 W537 L538 E544	Y442-A540 HydrophobicContact CD1-CB 4.02Å; Y442-A540 HydrophobicContact CG-CB 3.84Å; L463-A540 HydrophobicContact CD2-CB 4Å; L463-A540 WeakPolarHBondContact CD2-O 3.48Å; R536-A540 WeakPolarHBondContact O-CB 3.48Å; R536-A540 PolarHBondContact O-N 3.47Å; W537-A540 WeakPolarHBondContact O-CB 3.43Å; W537-A540 PolarHBondContact O-N 3.13Å; W537-A540 VanDerWaalsContact O-N 3.1Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 3.13Å; A540-E544 WeakPolarHBondContact O-CB 3.46Å; A540-E544 PolarHBondContact O-N 3.13Å
541	F	96.3	Very high	91.9	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-70.3	-39.6	174.2	-67.2	-62.9	0	0	0	113	L463 L468 M489 V494 F513 L515 W537 L538 E544 R545	L463-F541 HydrophobicContact CD1-CD1 3.99Å; L463-F541 HydrophobicContact CD1-CE1 3.86Å; L463-F541 HydrophobicContact CD2-CD1 3.68Å; L463-F541 HydrophobicContact CD2-CE1 3.94Å; L463-F541 HydrophobicContact CD2-CG 4.33Å; L463-F541 HydrophobicContact CG-CD1 4.5Å; L463-F541 HydrophobicContact CG-CE1 4.47Å; L468-F541 HydrophobicContact CD2-CE1 4.06Å; L468-F541 HydrophobicContact CD2-CZ 4.15Å; M489-F541 HydrophobicContact CE-CD1 3.56Å; M489-F541 HydrophobicContact CE-CE1 3.78Å; M489-F541 HydrophobicContact SD-CE1 4.22Å; V494-F541 HydrophobicContact CG1-CB 4.42Å; V494-F541 HydrophobicContact CG1-CD2 3.93Å; V494-F541 HydrophobicContact CG1-CG 4.33Å; V494-F541 HydrophobicContact CG2-CB 3.84Å; V494-F541 HydrophobicContact CG2-CD1 4.21Å; V494-F541 HydrophobicContact CG2-CD2 4.23Å; V494-F541 HydrophobicContact CG2-CG 3.85Å; F513-F541 HydrophobicContact CD2-CE2 4.21Å; F513-F541 HydrophobicContact CE2-CD2 4.46Å; F513-F541 AromaticContact CE2-CE2 3.47Å; F513-F541 HydrophobicContact CE2-CE2 3.47Å; F513-F541 VanDerWaalsContact CE2-CE2 3.47Å; F513-F541 HydrophobicContact CE2-CZ 4.07Å; F513-F541 AromaticContact CZ-CE2 3.96Å; F513-F541 HydrophobicContact CZ-CE2 3.96Å; L515-F541 HydrophobicContact CD2-CE1 4.29Å; L515-F541 HydrophobicContact CD2-CE2 4.39Å; L515-F541 HydrophobicContact CD2-CZ 4.1Å; W537-F541 HydrophobicContact CB-CE2 4.25Å; W537-F541 AromaticContact CE3-CE2 3.83Å; W537-F541 HydrophobicContact CE3-CE2 3.83Å; W537-F541 AromaticContact CE3-CZ 3.78Å; W537-F541 HydrophobicContact CE3-CZ 3.78Å; W537-F541 HydrophobicContact CZ3-CZ 4.17Å; W537-F541 WeakPolarHBondContact O-CD2 3.26Å; W537-F541 PolarHBondContact O-N 3.11Å; L538-F541 PolarHBondContact O-N 3.05Å; F541-E544 PolarHBondContact O-N 2.58Å; F541-R545 PolarHBondContact O-N 3.06Å; F541-R545 VanDerWaalsContact O-N 3.11Å
542	A	94.7	Very high	91.4	Very high	48 Å²	48	60.6 Å²	60.6	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-51.3	173.1	0	0	0	0	0	110.8	L538 E544 R545 E546	L538-A542 PolarHBondContact O-N 3.34Å; A542-E544 VanDerWaalsContact C-N 3.25Å; A542-E544 PolarHBondContact O-N 3.22Å; A542-R545 PolarHBondContact O-N 3.23Å; A542-R545 VanDerWaalsContact O-N 3.14Å; A542-E546 WeakPolarHBondContact O-CG 3.45Å; A542-E546 PolarHBondContact O-N 3.02Å
543	R	92.1	Very high	90.6	Very high	82 Å²	82	63 Å²	63	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-34.5	175.3	-175.9	175	174	-127	-20.4	113.1	E439 I441 K539 E546 Q547	E439-R543 IonicContact OE1-CZ 2.92Å; E439-R543 IonicContact OE1-NH1 2.68Å; E439-R543 IonicContact OE1-NH2 2.74Å; E439-R543 PolarHBondContact OE1-NH2 3.41Å; E439-R543 IonicContact OE2-NH2 3.2Å; I441-R543 HydrophobicContact CG2-CG 4.49Å; K539-R543 WeakPolarHBondContact O-CB 3.48Å; K539-R543 PolarHBondContact O-N 2.86Å; R543-E546 WeakPolarHBondContact CA-OE2 3.48Å; R543-Q547 WeakPolarHBondContact O-CB 3.49Å; R543-Q547 PolarHBondContact O-N 3.29Å
544	E	94.4	Very high	89.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-38	178	-173.6	-89.6	160.8	0	0	112.7	I441 L463 F464 H466 A540 F541 A542 V548	I441-E544 HydrophobicContact CD1-CB 3.75Å; I441-E544 HydrophobicContact CD1-CG 3.6Å; L463-E544 HydrophobicContact CD1-CB 4.44Å; L463-E544 HydrophobicContact CD1-CG 3.96Å; L463-E544 HydrophobicContact CD2-CB 4Å; L463-E544 HydrophobicContact CD2-CG 4.37Å; L463-E544 HydrophobicContact CG-CB 4.31Å; L463-E544 HydrophobicContact CG-CG 4.13Å; F464-E544 WeakPolarHBondContact O-CG 3.27Å; H466-E544 WeakPolarHBondContact CA-OE1 3.24Å; H466-E544 PolarHBondContact N-OE1 3.25Å; A540-E544 WeakPolarHBondContact O-CB 3.46Å; A540-E544 PolarHBondContact O-N 3.13Å; F541-E544 PolarHBondContact O-N 2.58Å; A542-E544 VanDerWaalsContact C-N 3.25Å; A542-E544 PolarHBondContact O-N 3.22Å; E544-V548 WeakPolarHBondContact O-CB 3.29Å; E544-V548 VanDerWaalsContact O-CG2 3.29Å; E544-V548 WeakPolarHBondContact O-CG2 3.46Å; E544-V548 PolarHBondContact O-N 3.14Å
545	R	94.9	Very high	88.2	Confident	82 Å²	82	63.8 Å²	63.8	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-71.1	-41.6	172.9	-64.6	-68.6	89.6	-160.9	7.7	112.3	D490 F541 A542 Q547 V548 Q549	D490-R545 IonicContact OD1-CZ 3.21Å; D490-R545 VanDerWaalsContact OD1-CZ 3.27Å; D490-R545 IonicContact OD1-NH1 3.15Å; D490-R545 PolarHBondContact OD1-NH1 2.83Å; D490-R545 IonicContact OD1-NH2 3.79Å; D490-R545 PolarHBondContact OD1-NH2 2.99Å; F541-R545 PolarHBondContact O-N 3.06Å; F541-R545 VanDerWaalsContact O-N 3.11Å; A542-R545 PolarHBondContact O-N 3.23Å; A542-R545 VanDerWaalsContact O-N 3.14Å; R545-Q547 VanDerWaalsContact C-N 3.33Å; R545-Q547 PolarHBondContact O-N 3.02Å; R545-V548 PolarHBondContact O-N 2.87Å; R545-Q549 PolarHBondContact O-N 2.81Å
546	E	91.2	Very high	87.3	Confident	127 Å²	127	60.8 Å²	60.8	59%	0.593	30%	0.299	S	S	*	.	H	α-helix	trans	-56.5	-46.4	172.5	-70.2	161.5	-167.2	0	0	111.3	A542 R543 Q549 L550	A542-E546 WeakPolarHBondContact O-CG 3.45Å; A542-E546 PolarHBondContact O-N 3.02Å; R543-E546 WeakPolarHBondContact CA-OE2 3.48Å; E546-Q549 PolarHBondContact O-N 2.89Å; E546-L550 PolarHBondContact O-N 3.02Å
547	Q	87.7	Confident	86.2	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-42.9	-179.6	-171.4	63.7	65.9	0	0	112.2	R543 R545 Q549 L550 D551	R543-Q547 WeakPolarHBondContact O-CB 3.49Å; R543-Q547 PolarHBondContact O-N 3.29Å; R545-Q547 VanDerWaalsContact C-N 3.33Å; R545-Q547 PolarHBondContact O-N 3.02Å; Q547-Q549 VanDerWaalsContact C-N 3.28Å; Q547-Q549 PolarHBondContact O-N 2.84Å; Q547-L550 PolarHBondContact O-N 3.01Å; Q547-D551 PolarHBondContact NE2-OD1 3.1Å; Q547-D551 WeakPolarHBondContact O-CB 3.42Å; Q547-D551 PolarHBondContact O-N 3.16Å
548	V	90.4	Very high	85.4	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-33.4	176.2	163.3	0	0	0	0	111.9	D465 H466 E544 R545 Q552	D465-V548 HydrophobicContact CB-CG2 4.1Å; H466-V548 VanDerWaalsContact CE1-CG1 3.46Å; H466-V548 WeakPolarHBondContact CE1-CG1 3.24Å; E544-V548 WeakPolarHBondContact O-CB 3.29Å; E544-V548 VanDerWaalsContact O-CG2 3.29Å; E544-V548 WeakPolarHBondContact O-CG2 3.46Å; E544-V548 PolarHBondContact O-N 3.14Å; R545-V548 PolarHBondContact O-N 2.87Å; V548-Q552 VanDerWaalsContact CG1-NE2 3.32Å; V548-Q552 VanDerWaalsContact O-CG 3.3Å; V548-Q552 WeakPolarHBondContact O-CG 3.45Å; V548-Q552 PolarHBondContact O-N 2.67Å; V548-Q552 PolarHBondContact O-NE2 2.86Å
549	Q	88.4	Confident	84.7	Confident	114 Å²	114	62.2 Å²	62.2	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-49.6	171.5	179.7	176.5	-16.1	0	0	111.4	R545 E546 Q547 D551 Q552 E553	R545-Q549 PolarHBondContact O-N 2.81Å; E546-Q549 PolarHBondContact O-N 2.89Å; Q547-Q549 VanDerWaalsContact C-N 3.28Å; Q547-Q549 PolarHBondContact O-N 2.84Å; Q549-D551 VanDerWaalsContact C-N 3.26Å; Q549-D551 PolarHBondContact O-N 2.95Å; Q549-Q552 WeakPolarHBondContact O-CB 3.47Å; Q549-Q552 PolarHBondContact O-N 2.83Å; Q549-Q552 VanDerWaalsContact O-N 3.12Å; Q549-E553 HydrophobicContact CG-CG 4.42Å; Q549-E553 WeakPolarHBondContact CG-OE1 3.23Å; Q549-E553 PolarHBondContact NE2-OE1 3.5Å; Q549-E553 WeakPolarHBondContact O-CG 3.44Å; Q549-E553 PolarHBondContact O-N 2.99Å
550	L	81.6	Confident	84.1	Confident	69 Å²	69	60.3 Å²	60.3	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-36.9	179.1	-178.1	63.7	0	0	0	112.3	E546 Q547 E553 T554	E546-L550 PolarHBondContact O-N 3.02Å; Q547-L550 PolarHBondContact O-N 3.01Å; L550-E553 PolarHBondContact O-N 3.07Å; L550-T554 HydrophobicContact CD1-CG2 3.88Å; L550-T554 HydrophobicContact CG-CG2 4.34Å; L550-T554 WeakPolarHBondContact O-CB 3.48Å; L550-T554 WeakPolarHBondContact O-CG2 3.49Å; L550-T554 PolarHBondContact O-N 2.97Å; L550-T554 PolarHBondContact O-OG1 3Å
551	D	83.3	Confident	83.4	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.059	35%	0.349	C	S	.	.	H	α-helix	trans	-69.7	-33.4	178.4	-69.1	-17.3	0	0	0	111.8	R411 Q547 Q549 G555 F556	R411-D551 IonicContact CZ-OD1 3.81Å; R411-D551 IonicContact CZ-OD2 3.36Å; R411-D551 IonicContact NH1-OD1 2.72Å; R411-D551 PolarHBondContact NH1-OD1 3.4Å; R411-D551 IonicContact NH1-OD2 3.4Å; R411-D551 PolarHBondContact NH1-OD2 3.02Å; R411-D551 IonicContact NH2-OD1 3.49Å; R411-D551 IonicContact NH2-OD2 2.7Å; R411-D551 PolarHBondContact NH2-OD2 3.03Å; R411-D551 VanDerWaalsContact NH2-OD2 3.14Å; Q547-D551 PolarHBondContact NE2-OD1 3.1Å; Q547-D551 WeakPolarHBondContact O-CB 3.42Å; Q547-D551 PolarHBondContact O-N 3.16Å; Q549-D551 VanDerWaalsContact C-N 3.26Å; Q549-D551 PolarHBondContact O-N 2.95Å; D551-G555 CarbonylContact O-C 3.52Å; D551-G555 PolarHBondContact O-N 2.84Å; D551-G555 VanDerWaalsContact O-N 3.17Å; D551-F556 HydrophobicContact CB-CB 4.09Å; D551-F556 HydrophobicContact CB-CD1 4.47Å; D551-F556 PolarHBondContact O-N 2.87Å
552	Q	82	Confident	82.7	Confident	138 Å²	138	68.9 Å²	68.9	65%	0.645	36%	0.361	S	S	*	.	H	α-helix	trans	-69.8	-45.4	170.9	-71.4	170.9	44.9	0	0	112	V548 Q549 T554 G555	V548-Q552 VanDerWaalsContact CG1-NE2 3.32Å; V548-Q552 VanDerWaalsContact O-CG 3.3Å; V548-Q552 WeakPolarHBondContact O-CG 3.45Å; V548-Q552 PolarHBondContact O-N 2.67Å; V548-Q552 PolarHBondContact O-NE2 2.86Å; Q549-Q552 WeakPolarHBondContact O-CB 3.47Å; Q549-Q552 PolarHBondContact O-N 2.83Å; Q549-Q552 VanDerWaalsContact O-N 3.12Å; Q552-T554 PolarHBondContact O-N 3.47Å; Q552-G555 PolarHBondContact O-N 2.82Å
553	E	75.6	Confident	82.2	Confident	138 Å²	138	69.5 Å²	69.5	65%	0.645	35%	0.353	S	S	*	.	H	α-helix	trans	-65.7	-35.8	179.9	-71.7	176.9	-172.3	0	0	112.7	Q549 L550	Q549-E553 HydrophobicContact CG-CG 4.42Å; Q549-E553 WeakPolarHBondContact CG-OE1 3.23Å; Q549-E553 PolarHBondContact NE2-OE1 3.5Å; Q549-E553 WeakPolarHBondContact O-CG 3.44Å; Q549-E553 PolarHBondContact O-N 2.99Å; L550-E553 PolarHBondContact O-N 3.07Å
554	T	67.3	Low	81.9	Confident	47 Å²	47	71.1 Å²	71.1	29%	0.288	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1	178.6	60.6	0	0	0	0	114.2	L404 L550 Q552 F556	L404-T554 HydrophobicContact CD1-CG2 4.39Å; L404-T554 HydrophobicContact CD2-CG2 4.31Å; L550-T554 HydrophobicContact CD1-CG2 3.88Å; L550-T554 HydrophobicContact CG-CG2 4.34Å; L550-T554 WeakPolarHBondContact O-CB 3.48Å; L550-T554 WeakPolarHBondContact O-CG2 3.49Å; L550-T554 PolarHBondContact O-N 2.97Å; L550-T554 PolarHBondContact O-OG1 3Å; Q552-T554 PolarHBondContact O-N 3.47Å; T554-F556 PolarHBondContact O-N 2.91Å
555	G	69.4	Low	81.5	Confident	53 Å²	53	75.2 Å²	75.2	55%	0.546	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	29.5	-176	0	0	0	0	0	113.6	D551 Q552 S557	D551-G555 CarbonylContact O-C 3.52Å; D551-G555 PolarHBondContact O-N 2.84Å; D551-G555 VanDerWaalsContact O-N 3.17Å; Q552-G555 PolarHBondContact O-N 2.82Å; G555-S557 PolarHBondContact O-N 2.88Å
556	F	73.1	Confident	81.1	Confident	33 Å²	33	71.5 Å²	71.5	15%	0.145	37%	0.368	C	S	.	.			trans	-67.8	128.6	179.7	-178.6	-100.1	0	0	0	110.9	R408 R411 D551 T554 I558	R408-F556 HydrophobicContact CG-CD2 3.88Å; R408-F556 HydrophobicContact CG-CE2 3.62Å; R411-F556 HydrophobicContact CB-CZ 4.22Å; R411-F556 VanDerWaalsContact NH1-CD1 3.29Å; D551-F556 HydrophobicContact CB-CB 4.09Å; D551-F556 HydrophobicContact CB-CD1 4.47Å; D551-F556 PolarHBondContact O-N 2.87Å; T554-F556 PolarHBondContact O-N 2.91Å; F556-I558 HydrophobicContact CZ-CG1 4.48Å
557	S	71.3	Confident	80.9	Confident	88 Å²	88	67.7 Å²	67.7	62%	0.615	35%	0.351	S	S	*	.			trans	-152.6	145	173.8	52.5	0	0	0	0	111	G555	G555-S557 PolarHBondContact O-N 2.88Å
558	I	78.5	Confident	80.8	Confident	21 Å²	21	71.1 Å²	71.1	11%	0.108	37%	0.369	C	S	.	.			trans	-79.7	125	169.4	-67.8	176.5	0	0	0	108.2	I415 L434 F556 Q562 R563	I415-I558 HydrophobicContact CD1-CD1 3.76Å; I415-I558 HydrophobicContact CD1-CG1 3.86Å; I415-I558 HydrophobicContact CD1-CG2 4.06Å; I415-I558 HydrophobicContact CG1-CD1 3.85Å; I415-I558 HydrophobicContact CG1-CG1 4.47Å; L434-I558 HydrophobicContact CD2-CD1 4.12Å; F556-I558 HydrophobicContact CZ-CG1 4.48Å; I558-Q562 HydrophobicContact CG2-CB 3.99Å; I558-R563 HydrophobicContact CG2-CB 4.29Å
559	T	80.3	Confident	80.6	Confident	69 Å²	69	72.9 Å²	72.9	42%	0.423	38%	0.379	S	S	.	.			trans	-67.2	149.9	177.4	66.6	0	0	0	0	111.4	L561 Q562 R563	T559-L561 PolarHBondContact O-N 2.97Å; T559-L561 VanDerWaalsContact O-N 3.15Å; T559-Q562 PolarHBondContact O-N 3.03Å; T559-Q562 VanDerWaalsContact O-N 3.1Å; T559-Q562 VanDerWaalsContact OG1-CG 3.29Å; T559-Q562 WeakPolarHBondContact OG1-CG 2.8Å; T559-Q562 PolarHBondContact OG1-N 3.44Å; T559-Q562 PolarHBondContact OG1-OE1 3.1Å; T559-R563 PolarHBondContact O-N 2.83Å
560	E	80.3	Confident	80.5	Confident	115 Å²	115	67.6 Å²	67.6	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-31.4	177.3	-160.1	-164.4	149.9	0	0	112.3	K564	E560-K564 HydrophobicContact CG-CD 4.35Å; E560-K564 WeakPolarHBondContact O-CB 3.46Å; E560-K564 WeakPolarHBondContact O-CG 3.41Å; E560-K564 PolarHBondContact O-N 3.25Å; E560-K564 WeakPolarHBondContact OE1-CE 3.38Å; E560-K564 IonicContact OE1-NZ 2.8Å; E560-K564 PolarHBondContact OE1-NZ 3.38Å
561	L	79	Confident	80.7	Confident	134 Å²	134	67 Å²	67	70%	0.702	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-47.9	175.4	-177.9	62	0	0	0	112	T559 K564 Q565	T559-L561 PolarHBondContact O-N 2.97Å; T559-L561 VanDerWaalsContact O-N 3.15Å; L561-K564 PolarHBondContact O-N 2.99Å; L561-Q565 WeakPolarHBondContact O-CB 3.22Å; L561-Q565 PolarHBondContact O-N 2.68Å
562	Q	81.2	Confident	80.5	Confident	56 Å²	56	72.5 Å²	72.5	26%	0.262	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-44.3	176.6	-74.2	158.4	-37	0	0	111.4	L412 I415 I558 T559 Q565 A566	L412-Q562 VanDerWaalsContact CD2-NE2 3.28Å; I415-Q562 HydrophobicContact CD1-CB 4.41Å; I558-Q562 HydrophobicContact CG2-CB 3.99Å; T559-Q562 PolarHBondContact O-N 3.03Å; T559-Q562 VanDerWaalsContact O-N 3.1Å; T559-Q562 VanDerWaalsContact OG1-CG 3.29Å; T559-Q562 WeakPolarHBondContact OG1-CG 2.8Å; T559-Q562 PolarHBondContact OG1-N 3.44Å; T559-Q562 PolarHBondContact OG1-OE1 3.1Å; Q562-Q565 PolarHBondContact O-N 2.68Å; Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 3.43Å
563	R	85.1	Confident	79.6	Confident	60 Å²	60	71.1 Å²	71.1	23%	0.226	37%	0.373	C	S	.	.	H	α-helix	trans	-55.7	-52.1	174.1	179	-174.6	-60.1	153.3	-1.2	111.6	L434 V435 I558 T559 Q565 A566 M567	L434-R563 HydrophobicContact CB-CG 3.93Å; L434-R563 PolarHBondContact O-NE 3Å; L434-R563 PolarHBondContact O-NH2 3.19Å; V435-R563 PolarHBondContact O-NH2 2.91Å; V435-R563 VanDerWaalsContact O-NH2 3.07Å; I558-R563 HydrophobicContact CG2-CB 4.29Å; T559-R563 PolarHBondContact O-N 2.83Å; R563-Q565 PolarHBondContact O-N 3.23Å; R563-A566 PolarHBondContact O-N 3.11Å; R563-M567 WeakPolarHBondContact O-CG 3.27Å; R563-M567 PolarHBondContact O-N 2.93Å; R563-M567 VanDerWaalsContact O-N 3.17Å
564	K	85.3	Confident	78.8	Confident	116 Å²	116	69.4 Å²	69.4	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-41.8	178.2	-79	170.9	166.6	172.5	0	112	E560 L561 L568	E560-K564 HydrophobicContact CG-CD 4.35Å; E560-K564 WeakPolarHBondContact O-CB 3.46Å; E560-K564 WeakPolarHBondContact O-CG 3.41Å; E560-K564 PolarHBondContact O-N 3.25Å; E560-K564 WeakPolarHBondContact OE1-CE 3.38Å; E560-K564 IonicContact OE1-NZ 2.8Å; E560-K564 PolarHBondContact OE1-NZ 3.38Å; L561-K564 PolarHBondContact O-N 2.99Å; K564-L568 WeakPolarHBondContact O-CB 3.43Å; K564-L568 VanDerWaalsContact O-CG 3.26Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 2.95Å
565	Q	85.3	Confident	78.2	Confident	87 Å²	87	73 Å²	73	41%	0.407	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-45.2	179	-174.2	59.8	48.8	0	0	112.2	L561 Q562 R563 L568 N569	L561-Q565 WeakPolarHBondContact O-CB 3.22Å; L561-Q565 PolarHBondContact O-N 2.68Å; Q562-Q565 PolarHBondContact O-N 2.68Å; R563-Q565 PolarHBondContact O-N 3.23Å; Q565-L568 WeakPolarHBondContact O-CB 3.35Å; Q565-L568 PolarHBondContact O-N 2.94Å; Q565-N569 PolarHBondContact NE2-OD1 3.02Å; Q565-N569 PolarHBondContact O-N 3.38Å; Q565-N569 PolarHBondContact O-ND2 2.84Å; Q565-N569 PolarHBondContact O-OD1 3.12Å
566	A	86.4	Confident	77.2	Confident	3 Å²	3	76.3 Å²	76.3	3%	0.025	40%	0.397	C	S	.	.	H	α-helix	trans	-64.7	-41.1	179.7	0	0	0	0	0	112.6	I415 D416 A419 L434 Q562 R563 L568 N569 A570	I415-A566 HydrophobicContact CG2-CB 3.6Å; D416-A566 WeakPolarHBondContact OD1-CA 3.18Å; A419-A566 HydrophobicContact CB-CB 3.92Å; A419-A566 WeakPolarHBondContact CB-O 3.44Å; L434-A566 HydrophobicContact CD1-CB 3.97Å; Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 3.43Å; R563-A566 PolarHBondContact O-N 3.11Å; A566-L568 VanDerWaalsContact C-N 3.34Å; A566-L568 PolarHBondContact O-N 3.37Å; A566-N569 WeakPolarHBondContact O-CB 2.97Å; A566-N569 PolarHBondContact O-N 3.01Å; A566-A570 PolarHBondContact O-N 3.25Å
567	M	87.8	Confident	75.8	Confident	47 Å²	47	77.4 Å²	77.4	23%	0.232	42%	0.417	C	S	.	.	H	α-helix	trans	-64.8	-37.8	174.4	-65	-58.2	-68.6	0	0	112	A419 D432 R563 S571	A419-M567 HydrophobicContact CB-SD 3.72Å; D432-M567 HydrophobicContact CB-CE 4.47Å; D432-M567 VanDerWaalsContact OD1-CE 3.31Å; D432-M567 WeakPolarHBondContact OD1-CE 3.5Å; R563-M567 WeakPolarHBondContact O-CG 3.27Å; R563-M567 PolarHBondContact O-N 2.93Å; R563-M567 VanDerWaalsContact O-N 3.17Å; M567-S571 WeakPolarHBondContact O-CB 3.44Å; M567-S571 PolarHBondContact O-N 3.25Å; M567-S571 PolarHBondContact O-OG 3.01Å
568	L	86.4	Confident	74.2	Confident	91 Å²	91	81.9 Å²	81.9	48%	0.476	43%	0.426	S	S	.	.	H	α-helix	trans	-67.4	-33.6	172.6	-73	168.7	0	0	0	113	K564 Q565 A566 S571 K572	K564-L568 WeakPolarHBondContact O-CB 3.43Å; K564-L568 VanDerWaalsContact O-CG 3.26Å; K564-L568 WeakPolarHBondContact O-CG 3.49Å; K564-L568 PolarHBondContact O-N 2.95Å; Q565-L568 WeakPolarHBondContact O-CB 3.35Å; Q565-L568 PolarHBondContact O-N 2.94Å; A566-L568 VanDerWaalsContact C-N 3.34Å; A566-L568 PolarHBondContact O-N 3.37Å; L568-S571 PolarHBondContact O-OG 3.35Å; L568-K572 WeakPolarHBondContact O-CD 3.19Å; L568-K572 WeakPolarHBondContact O-CG 3.38Å; L568-K572 PolarHBondContact O-N 3.13Å
569	N	85.8	Confident	72.1	Confident	41 Å²	41	86.8 Å²	86.8	22%	0.219	46%	0.459	C	S	.	.	H	α-helix	trans	-67.3	-48.4	175.1	-70.4	-15.3	0	0	0	110.7	D416 Q565 A566 S571 K572 Q573	D416-N569 WeakPolarHBondContact OD1-CB 3.32Å; D416-N569 PolarHBondContact OD1-ND2 3.32Å; D416-N569 PolarHBondContact OD2-ND2 2.93Å; Q565-N569 PolarHBondContact NE2-OD1 3.02Å; Q565-N569 PolarHBondContact O-N 3.38Å; Q565-N569 PolarHBondContact O-ND2 2.84Å; Q565-N569 PolarHBondContact O-OD1 3.12Å; A566-N569 WeakPolarHBondContact O-CB 2.97Å; A566-N569 PolarHBondContact O-N 3.01Å; N569-S571 PolarHBondContact O-N 2.96Å; N569-K572 PolarHBondContact O-N 3.47Å; N569-Q573 PolarHBondContact O-N 3.49Å
570	A	86.3	Confident	70.2	Confident	2 Å²	2	91.7 Å²	91.7	2%	0.017	47%	0.474	C	S	.	.	H	α-helix	trans	-59.7	-45.7	177.2	0	0	0	0	0	112.2	A419 Q420 A566 K572 Q573 Q574	A419-A570 HydrophobicContact CB-CB 3.99Å; Q420-A570 HydrophobicContact CG-CB 4.08Å; A566-A570 PolarHBondContact O-N 3.25Å; A570-K572 PolarHBondContact O-N 3.32Å; A570-Q573 PolarHBondContact O-N 2.81Å; A570-Q574 PolarHBondContact O-N 2.95Å
571	S	84.4	Confident	67.9	Low	58 Å²	58	91.2 Å²	91.2	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-64.5	-37.5	-179.3	68.1	0	0	0	0	113	M567 L568 N569 Q573 Q574 V575	M567-S571 WeakPolarHBondContact O-CB 3.44Å; M567-S571 PolarHBondContact O-N 3.25Å; M567-S571 PolarHBondContact O-OG 3.01Å; L568-S571 PolarHBondContact O-OG 3.35Å; N569-S571 PolarHBondContact O-N 2.96Å; S571-Q573 VanDerWaalsContact C-N 3.33Å; S571-Q573 PolarHBondContact O-N 3.09Å; S571-Q574 PolarHBondContact O-N 3Å; S571-V575 PolarHBondContact O-N 2.74Å
572	K	79.4	Confident	65.8	Low	126 Å²	126	91.5 Å²	91.5	55%	0.548	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-39.8	176.8	-75.3	167.2	-173.4	173.7	0	112.5	L568 N569 A570 Q574 V575	L568-K572 WeakPolarHBondContact O-CD 3.19Å; L568-K572 WeakPolarHBondContact O-CG 3.38Å; L568-K572 PolarHBondContact O-N 3.13Å; N569-K572 PolarHBondContact O-N 3.47Å; A570-K572 PolarHBondContact O-N 3.32Å; K572-Q574 VanDerWaalsContact C-N 3.26Å; K572-Q574 PolarHBondContact O-N 3.08Å; K572-V575 PolarHBondContact O-N 3.29Å
573	Q	63.9	Low	63.5	Low	109 Å²	109	92.3 Å²	92.3	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-24.6	178.9	-69.1	-179.2	-6.3	0	0	113.1	N569 A570 S571 T576	N569-Q573 PolarHBondContact O-N 3.49Å; A570-Q573 PolarHBondContact O-N 2.81Å; S571-Q573 VanDerWaalsContact C-N 3.33Å; S571-Q573 PolarHBondContact O-N 3.09Å; Q573-T576 PolarHBondContact O-OG1 3.08Å
574	Q	58.3	Low	60.8	Low	101 Å²	101	100.3 Å²	100.3	47%	0.472	55%	0.55	S	S	.	*	H	α-helix	trans	-74.1	-34.6	173.7	-60.4	-155	-7.3	0	0	112.8	S423 A570 S571 K572 T576 G577	S423-Q574 VanDerWaalsContact C-NE2 3.33Å; S423-Q574 PolarHBondContact O-NE2 3.3Å; S423-Q574 PolarHBondContact OG-NE2 3.22Å; A570-Q574 PolarHBondContact O-N 2.95Å; S571-Q574 PolarHBondContact O-N 3Å; K572-Q574 VanDerWaalsContact C-N 3.26Å; K572-Q574 PolarHBondContact O-N 3.08Å; Q574-T576 VanDerWaalsContact C-N 3.33Å; Q574-T576 PolarHBondContact O-N 2.68Å; Q574-G577 PolarHBondContact O-N 3.1Å
575	V	54.1	Low	58.2	Low	122 Å²	122	99.7 Å²	99.7	74%	0.739	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-31.8	-176.2	176.8	0	0	0	0	112.2	S571 K572 G577	S571-V575 PolarHBondContact O-N 2.74Å; K572-V575 PolarHBondContact O-N 3.29Å; V575-G577 VanDerWaalsContact C-N 3.25Å; V575-G577 PolarHBondContact O-N 2.94Å
576	T	49.5	Very low	55.3	Low	124 Å²	124	101.5 Å²	101.5	76%	0.761	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-14.2	172.7	54.9	0	0	0	0	113	Q573 Q574 K578	Q573-T576 PolarHBondContact O-OG1 3.08Å; Q574-T576 VanDerWaalsContact C-N 3.33Å; Q574-T576 PolarHBondContact O-N 2.68Å; T576-K578 VanDerWaalsContact C-N 3.29Å; T576-K578 PolarHBondContact O-N 2.75Å; T576-K578 VanDerWaalsContact O-N 3.08Å
577	G	44.2	Very low	52.5	Low	56 Å²	56	111.4 Å²	111.4	58%	0.577	62%	0.617	S	S	*	*	S	Bend	trans	-81.1	34.3	-174.8	0	0	0	0	0	117.1	Q574 V575	Q574-G577 PolarHBondContact O-N 3.1Å; V575-G577 VanDerWaalsContact C-N 3.25Å; V575-G577 PolarHBondContact O-N 2.94Å
578	K	35.9	Very low	49.8	Very low	182 Å²	182	117.7 Å²	117.7	79%	0.791	65%	0.651	S	S	*	*			trans	63.5	132.9	-171	-64	-169.6	174.5	-167.8	0	115.1	T576 K580	T576-K578 VanDerWaalsContact C-N 3.29Å; T576-K578 PolarHBondContact O-N 2.75Å; T576-K578 VanDerWaalsContact O-N 3.08Å; K578-K580 PolarHBondContact O-N 2.91Å
579	P	35.7	Very low	46.9	Very low	124 Å²	124	120.1 Å²	120.1	81%	0.805	67%	0.67	S	S	*	*			trans	-66.1	132.4	179.5	27	-34.3	0	0	0	112.2	A581	P579-A581 PolarHBondContact O-N 3.44Å
580	K	39.3	Very low	44.2	Very low	172 Å²	172	129.6 Å²	129.6	75%	0.748	70%	0.702	S	S	*	*			trans	-59.8	123.4	167.8	-73.8	-177.1	175.7	-179.7	0	108.4	K578 V582	K578-K580 PolarHBondContact O-N 2.91Å; K580-V582 PolarHBondContact O-N 3.2Å; K580-V582 VanDerWaalsContact O-N 3.09Å
581	A	32.6	Very low	41.3	Very low	105 Å²	105	138.9 Å²	138.9	87%	0.868	75%	0.746	S	S	*	*			trans	-69.1	106.8	-176.1	0	0	0	0	0	111.3	P579 G583	P579-A581 PolarHBondContact O-N 3.44Å; A581-G583 PolarHBondContact O-N 2.86Å
582	V	34.5	Very low	38.6	Very low	140 Å²	140	145.5 Å²	145.5	85%	0.848	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69.6	118.9	173.8	-179.9	0	0	0	0	109	K580 R584	K580-V582 PolarHBondContact O-N 3.2Å; K580-V582 VanDerWaalsContact O-N 3.09Å; V582-R584 PolarHBondContact O-N 3.22Å
583	G	34.4	Very low	36.2	Very low	72 Å²	72	148.2 Å²	148.2	74%	0.742	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.9	128.5	-179.5	0	0	0	0	0	112.3	A581	A581-G583 PolarHBondContact O-N 2.86Å
584	R	27.7	Very low	34.5	Very low	228 Å²	228	149.2 Å²	149.2	86%	0.86	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-87.7	139.1	164.2	-85.8	-172.1	167.4	-157.1	-2.8	110.2	V582	V582-R584 PolarHBondContact O-N 3.22Å
585	P	29.4	Very low	33	Very low	104 Å²	104	148.4 Å²	148.4	68%	0.675	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.2	126.4	173.1	30.1	-33	0	0	0	110.6
586	C	26	Very low	32	Very low	124 Å²	124	150.1 Å²	150.1	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-92.5	118.3	174.6	-70.6	0	0	0	0	110.8
587	Y	27.3	Very low	31.2	Very low	211 Å²	211	150.1 Å²	150.1	83%	0.827	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77	141.2	169.7	-64.1	-88.2	0	0	0	110.6	T589	Y587-T589 PolarHBondContact O-N 2.76Å
588	L	31.1	Very low	30.6	Very low	179 Å²	179	152.1 Å²	152.1	94%	0.937	82%	0.819	S	S	*	*			trans	-82.8	112.3	179.3	-75.6	167.3	0	0	0	111.5
589	T	26.2	Very low	30.2	Very low	143 Å²	143	151.5 Å²	151.5	88%	0.877	82%	0.824	S	S	*	*			trans	-132.1	127.3	159.9	41.9	0	0	0	0	111.6	Y587	Y587-T589 PolarHBondContact O-N 2.76Å
590	R	28.6	Very low	30.1	Very low	239 Å²	239	155.6 Å²	155.6	90%	0.902	82%	0.824	S	S	*	*			trans	-99.8	123.4	-171.4	167.7	-161	-175.6	-161.8	6.7	110.8
591	Q	25.8	Very low	29.8	Very low	198 Å²	198	153.3 Å²	153.3	93%	0.925	83%	0.827	S	S	*	*			trans	-138.2	173.4	160.3	-94.8	-175.9	28.9	0	0	112
592	K	26.5	Very low	29.8	Very low	196 Å²	196	156.2 Å²	156.2	85%	0.852	82%	0.823	S	S	*	*			trans	-105.4	152.9	-150.3	-60.3	173.7	-179.8	174.7	0	114.4
593	H	29.3	Very low	29.5	Very low	184 Å²	184	157.5 Å²	157.5	85%	0.852	82%	0.819	S	S	*	*			trans	-68.9	151.6	163	-67.1	-83.2	0	0	0	112.7
594	P	28.8	Very low	29.1	Very low	129 Å²	129	162.1 Å²	162.1	84%	0.838	82%	0.822	S	S	*	*				-105.3	175.7	126.4	-10.8	29.6	0	0	0	111.6
595	A	26.9	Very low	29.6	Very low	85 Å²	85	157.5 Å²	157.5	70%	0.702	82%	0.818	S	S	*	*			trans	-140.1	149.2	-164.2	0	0	0	0	0	116
596	L	32.7	Very low	29.5	Very low	157 Å²	157	159.8 Å²	159.8	82%	0.822	82%	0.824	S	S	*	*			trans	67.6	158.9	151.4	-79.1	166	0	0	0	116.8
597	P	31.5	Very low	29.7	Very low	125 Å²	125	159.8 Å²	159.8	81%	0.812	82%	0.82	S	S	*	*			cis	-123.2	-172	30.4	42.2	-27.1	0	0	0	116.9
598	S	32.9	Very low	29.8	Very low	97 Å²	97	157.1 Å²	157.1	68%	0.678	82%	0.819	S	S	*	*			trans	-95.5	149.6	-170.3	54.8	0	0	0	0	114.9
599	N	27.7	Very low	29.7	Very low	169 Å²	169	152.8 Å²	152.8	90%	0.904	81%	0.809	S	S	*	*			trans	-155.8	160.8	135.9	-109.5	-26.5	0	0	0	112.6
600	R	32.8	Very low	29.8	Very low	210 Å²	210	154.5 Å²	154.5	79%	0.792	81%	0.807	S	S	*	*			trans	-117.6	156	177.9	-117.6	-177.2	-171	-170.7	4.7	108.3
601	P	32.2	Very low	29.7	Very low	125 Å²	125	149 Å²	149	81%	0.812	80%	0.802	S	S	*	*				-139.5	-174.4	76.7	35.4	-17	0	0	0	114.6
602	Q	34.1	Very low	29.8	Very low	166 Å²	166	151.2 Å²	151.2	78%	0.776	80%	0.802	S	S	*	*			trans	-83.6	143.4	-179.3	-62.3	144.9	-97.4	0	0	111.6
603	Q	27.1	Very low	30.1	Very low	166 Å²	166	153.2 Å²	153.2	78%	0.776	80%	0.804	S	S	*	*			trans	-147.7	128	150.5	-150	159.2	0.5	0	0	113.3
604	Q	27.6	Very low	30.2	Very low	170 Å²	170	153.9 Å²	153.9	79%	0.794	80%	0.804	S	S	*	*			trans	51	124.9	156.5	-70.2	166.2	-0.9	0	0	121
605	V	37.7	Very low	30.2	Very low	131 Å²	131	153.1 Å²	153.1	79%	0.794	80%	0.8	S	S	*	*			trans	-69.6	130	167.1	173.6	0	0	0	0	109.8	V607	V605-V607 HydrophobicContact CG1-CG2 3.76Å
606	L	26.9	Very low	30.5	Very low	152 Å²	152	152.7 Å²	152.7	80%	0.796	79%	0.792	S	S	*	*			trans	-118.7	108.8	160.9	-159.4	80	0	0	0	108.8	L608	L606-L608 PolarHBondContact O-N 2.72Å; L606-L608 VanDerWaalsContact O-N 3.13Å
607	V	30	Very low	30.6	Very low	124 Å²	124	150.6 Å²	150.6	75%	0.752	79%	0.785	S	S	*	*			trans	-79	95.8	176.1	-178.7	0	0	0	0	108.6	V605 A609	V605-V607 HydrophobicContact CG1-CG2 3.76Å; V607-A609 PolarHBondContact O-N 2.96Å; V607-A609 VanDerWaalsContact O-N 3.13Å
608	L	28.8	Very low	30.9	Very low	155 Å²	155	147.5 Å²	147.5	81%	0.812	76%	0.759	S	S	*	*			trans	-69.1	103.8	164.1	-83	165.3	0	0	0	108.6	L606 E610	L606-L608 PolarHBondContact O-N 2.72Å; L606-L608 VanDerWaalsContact O-N 3.13Å; L608-E610 PolarHBondContact O-N 2.6Å
609	A	30.7	Very low	31.2	Very low	87 Å²	87	147.1 Å²	147.1	72%	0.719	74%	0.743	S	S	*	*			trans	-65.4	129.6	174	0	0	0	0	0	110.3	V607	V607-A609 PolarHBondContact O-N 2.96Å; V607-A609 VanDerWaalsContact O-N 3.13Å
610	E	27.3	Very low	31.4	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	73%	0.729	S	S	*	*			trans	-63.2	135.7	173.2	-65.6	-169.5	129	0	0	110.6	L608 R612	L608-E610 PolarHBondContact O-N 2.6Å; E610-R612 PolarHBondContact O-N 3.11Å
611	P	26	Very low	31.2	Very low	122 Å²	122	138.4 Å²	138.4	79%	0.792	71%	0.713	S	S	*	*			trans	-67.4	109.4	175.5	27.1	-33.1	0	0	0	109.6	R613	P611-R613 PolarHBondContact O-N 2.92Å
612	R	28.5	Very low	31.3	Very low	245 Å²	245	135.1 Å²	135.1	93%	0.925	69%	0.688	S	S	*	*			trans	-52	104.1	172.3	-82.6	-176.8	168.3	-176.8	-2.7	110	E610 K614	E610-R612 PolarHBondContact O-N 3.11Å; R612-K614 PolarHBondContact O-N 3.23Å
613	R	33	Very low	31.1	Very low	238 Å²	238	131.7 Å²	131.7	90%	0.898	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.4	122.3	167.8	-71.4	-175.2	177.6	-177.3	1.1	108.4	P611	P611-R613 PolarHBondContact O-N 2.92Å
614	K	30.5	Very low	31.4	Very low	198 Å²	198	132 Å²	132	86%	0.861	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-58	136.1	170.3	-66.4	-179.9	177.2	-178.1	0	108.5	R612	R612-K614 PolarHBondContact O-N 3.23Å
615	P	28.6	Very low	31.6	Very low	113 Å²	113	128 Å²	128	73%	0.734	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-64.3	151.4	175.3	28.1	-34.5	0	0	0	110.6	T617	P615-T617 PolarHBondContact O-N 2.92Å
616	S	34.7	Very low	31.2	Very low	77 Å²	77	123.9 Å²	123.9	54%	0.538	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-63.1	125.1	-179.3	-178.3	0	0	0	0	111.5	F618	S616-F618 PolarHBondContact O-N 2.96Å; S616-F618 WeakPolarHBondContact OG-CB 3.32Å
617	T	33.2	Very low	31.4	Very low	112 Å²	112	122.1 Å²	122.1	69%	0.687	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-16.4	179.7	44.3	0	0	0	0	113.7	P615 W619 H620 S621	P615-T617 PolarHBondContact O-N 2.92Å; T617-W619 VanDerWaalsContact C-N 3.28Å; T617-W619 PolarHBondContact O-N 3.47Å; T617-W619 VanDerWaalsContact O-N 3.14Å; T617-H620 PolarHBondContact O-N 3.04Å; T617-S621 PolarHBondContact O-N 2.96Å
618	F	39.6	Very low	31.3	Very low	60 Å²	60	123.1 Å²	123.1	26%	0.263	63%	0.632	S	S	.	*	H	α-helix	trans	-42.3	-49.7	-179.4	179.4	-98.4	0	0	0	113.6	W421 S616 H620 S621 I622	W421-F618 HydrophobicContact CB-CE2 4.38Å; W421-F618 HydrophobicContact CB-CZ 4.27Å; W421-F618 AromaticContact CD1-CE1 3.94Å; W421-F618 AromaticContact CD1-CZ 3.29Å; W421-F618 HydrophobicContact CG-CZ 4.02Å; S616-F618 PolarHBondContact O-N 2.96Å; S616-F618 WeakPolarHBondContact OG-CB 3.32Å; F618-H620 VanDerWaalsContact C-N 3.31Å; F618-H620 PolarHBondContact O-N 3Å; F618-S621 PolarHBondContact O-N 3.32Å; F618-I622 HydrophobicContact CD1-CD1 4.41Å; F618-I622 HydrophobicContact CD2-CD1 4.25Å; F618-I622 HydrophobicContact CE1-CD1 3.74Å; F618-I622 HydrophobicContact CE2-CD1 3.56Å; F618-I622 HydrophobicContact CZ-CD1 3.25Å; F618-I622 PolarHBondContact O-N 3.49Å
619	W	38.2	Very low	31.3	Very low	89 Å²	89	126.7 Å²	126.7	34%	0.337	64%	0.635	S	S	.	*	H	α-helix	trans	-69.4	-24	-176.7	-60.2	109.8	0	0	0	114.1	F462 L481 T617 S623	F462-W619 HydrophobicContact CE1-CH2 4.5Å; L481-W619 HydrophobicContact CD1-CH2 4.07Å; L481-W619 HydrophobicContact CD1-CZ2 4.37Å; T617-W619 VanDerWaalsContact C-N 3.28Å; T617-W619 PolarHBondContact O-N 3.47Å; T617-W619 VanDerWaalsContact O-N 3.14Å; W619-S623 WeakPolarHBondContact O-CB 3.31Å; W619-S623 PolarHBondContact O-OG 3.36Å
620	H	31.9	Very low	31.1	Very low	132 Å²	132	136 Å²	136	61%	0.611	66%	0.659	S	S	*	*	H	α-helix	trans	-86.7	-15.8	178.3	-68.2	-53.8	0	0	0	113.7	T617 F618	T617-H620 PolarHBondContact O-N 3.04Å; F618-H620 VanDerWaalsContact C-N 3.31Å; F618-H620 PolarHBondContact O-N 3Å
621	S	29.7	Very low	31.3	Very low	65 Å²	65	133.9 Å²	133.9	46%	0.455	65%	0.65	S	S	.	*	H	α-helix	trans	-83.9	-56.9	174.9	178.9	0	0	0	0	111.2	T617 F618 S623 R624	T617-S621 PolarHBondContact O-N 2.96Å; F618-S621 PolarHBondContact O-N 3.32Å; S621-S623 VanDerWaalsContact C-N 3.31Å; S621-S623 PolarHBondContact O-N 3.43Å; S621-R624 WeakPolarHBondContact O-CB 3.49Å; S621-R624 PolarHBondContact O-N 3Å
622	I	34.1	Very low	31.6	Very low	55 Å²	55	134.5 Å²	134.5	28%	0.282	64%	0.643	S	S	.	*	H	α-helix	trans	-60.5	-39.9	-177.5	-67.3	172.1	0	0	0	111.7	L440 F618 R624 L625	L440-I622 HydrophobicContact CD2-CG2 4.03Å; F618-I622 HydrophobicContact CD1-CD1 4.41Å; F618-I622 HydrophobicContact CD2-CD1 4.25Å; F618-I622 HydrophobicContact CE1-CD1 3.74Å; F618-I622 HydrophobicContact CE2-CD1 3.56Å; F618-I622 HydrophobicContact CZ-CD1 3.25Å; F618-I622 PolarHBondContact O-N 3.49Å; I622-R624 PolarHBondContact O-N 2.84Å; I622-R624 VanDerWaalsContact O-N 3.08Å; I622-L625 PolarHBondContact O-N 2.88Å
623	S	30.1	Very low	31.7	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-13.3	178.5	-54.8	0	0	0	0	114.1	W619 S621	W619-S623 WeakPolarHBondContact O-CB 3.31Å; W619-S623 PolarHBondContact O-OG 3.36Å; S621-S623 VanDerWaalsContact C-N 3.31Å; S621-S623 PolarHBondContact O-N 3.43Å
624	R	33.3	Very low	31.7	Very low	171 Å²	171	121.9 Å²	121.9	65%	0.645	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-3.3	-178.9	-137.1	-173.5	-69.2	-151.4	5.3	113.4	S621 I622	S621-R624 WeakPolarHBondContact O-CB 3.49Å; S621-R624 PolarHBondContact O-N 3Å; I622-R624 PolarHBondContact O-N 2.84Å; I622-R624 VanDerWaalsContact O-N 3.08Å
625	L	31.3	Very low	31.7	Very low	86 Å²	86	117.1 Å²	117.1	45%	0.45	60%	0.595	S	S	.	*	S	Bend	trans	-108.2	11	-174.4	-65.5	173.6	0	0	0	114.3	I622	I622-L625 PolarHBondContact O-N 2.88Å
626	A	28.6	Very low	31.9	Very low	46 Å²	46	117.4 Å²	117.4	38%	0.38	59%	0.586	S	S	.	*	S	Bend	trans	-102.5	132.5	167.3	0	0	0	0	0	109.5	F628	A626-F628 PolarHBondContact O-N 2.78Å; A626-F628 VanDerWaalsContact O-N 3.1Å
627	P	31.4	Very low	31.7	Very low	114 Å²	114	120.3 Å²	120.3	74%	0.74	59%	0.59	S	S	*	*			trans	-74.7	104.9	-171.5	29.1	-34.8	0	0	0	112
628	F	27.4	Very low	31.6	Very low	145 Å²	145	120.9 Å²	120.9	64%	0.636	58%	0.582	S	S	*	*			trans	-139.7	111	166.6	-77.6	-76.2	0	0	0	110.8	A626	A626-F628 PolarHBondContact O-N 2.78Å; A626-F628 VanDerWaalsContact O-N 3.1Å
629	R	28.8	Very low	31	Very low	231 Å²	231	126 Å²	126	87%	0.872	61%	0.609	S	S	*	*			trans	-61.5	161.2	148.6	-76.9	-176.5	171	-178.6	-3.3	108.7
630	K	26.8	Very low	30.3	Very low	283 Å²	283	129.4 Å²	129.4	100%	1.23	63%	0.633	S	S	*	*			trans	-65.8	0	167.8	-73.1	174.5	-178.9	164.1	0	110.8

Retrieved 630 of 630 residues in 1198.2 ms (Link to these results)

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