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Histone acetyltransferase GCN5

Acetylates histone H3 and ADA2 proteins in vitro. Acetylates 'Lys-14' of histone H3. Acetylation of histones gives a specific tag for epigenetic transcription activation. Operates in concert with certain DNA-binding transcriptional activators. Acts via the formation of large multiprotein complexes that modify the chromatin (By similarity).

AlphaFold DB , UniProt , Accession Q9AR19, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene HAG1, Length 568 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	38.4	Very low	216 Å²	216	134.5 Å²	134.5	100%	1.064	78%	0.779	S	S	*	*				0	61.4	0	-58	-175.6	-173.5	0	0	107.5
2	D	38.3	Very low	37.8	Very low	144 Å²	144	137.1 Å²	137.1	77%	0.77	79%	0.787	S	S	*	*				76.4	131.5	64.2	-47.4	-22.8	0	0	0	109
3	S	38.6	Very low	37.6	Very low	86 Å²	86	145.2 Å²	145.2	60%	0.601	80%	0.797	S	S	*	*			cis	-173.3	167.3	0.7	-110	0	0	0	0	110.6
4	H	42.9	Very low	37.3	Very low	168 Å²	168	143.6 Å²	143.6	78%	0.778	80%	0.801	S	S	*	*			trans	60.4	107.7	149.5	-68.1	-45.6	0	0	0	119
5	S	39.2	Very low	37.3	Very low	99 Å²	99	150.9 Å²	150.9	69%	0.692	81%	0.812	S	S	*	*				73.3	146.1	86.8	74.1	0	0	0	0	114.6
6	S	38.1	Very low	37.1	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	81%	0.81	S	S	*	*			cis	177.8	141.4	-11.6	46.9	0	0	0	0	106.8
7	H	41.3	Very low	37	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.856	80%	0.801	S	S	*	*			trans	-176.8	155.8	141	-105.2	-72.1	0	0	0	113.3
8	L	38	Very low	36.9	Very low	149 Å²	149	148.1 Å²	148.1	78%	0.78	81%	0.807	S	S	*	*			trans	-76.8	169.2	-177.7	-57.9	147.4	0	0	0	110.2
9	N	36.9	Very low	36.8	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	81%	0.807	S	S	*	*			cis	-165.1	160.8	35.9	-144.4	-5.1	0	0	0	114.2
10	A	32.2	Very low	36.9	Very low	90 Å²	90	145.9 Å²	145.9	74%	0.744	81%	0.806	S	S	*	*			trans	-9.7	137	171.8	0	0	0	0	0	123.1
11	A	35.5	Very low	36.7	Very low	100 Å²	100	144.3 Å²	144.3	83%	0.826	81%	0.805	S	S	*	*				-171.3	113	110.4	0	0	0	0	0	112.7
12	N	30.5	Very low	36.3	Very low	165 Å²	165	139 Å²	139	88%	0.882	79%	0.787	S	S	*	*			trans	-73.7	127.5	173.9	-94.2	-18.3	0	0	0	111.7
13	R	35	Very low	36.2	Very low	243 Å²	243	137.4 Å²	137.4	92%	0.917	79%	0.787	S	S	*	*			trans	-137.3	107.7	161.3	-82.3	-171.6	173.5	-175.2	-1	110.9
14	S	34	Very low	35.7	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	80%	0.797	S	S	*	*			trans	-129.4	100.9	166.9	-57.8	0	0	0	0	109.5
15	R	36.5	Very low	35.2	Very low	254 Å²	254	136.6 Å²	136.6	96%	0.958	78%	0.78	S	S	*	*			trans	-115.2	139	153.5	-78.2	178.7	164.2	-175.1	-6.5	103.9
16	S	35.2	Very low	34.6	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	77%	0.773	S	S	*	*				-174.9	159.5	56.9	-154.8	0	0	0	0	106.2
17	S	35.7	Very low	34.3	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	75%	0.754	S	S	*	*			cis	-167.9	114.3	-14.1	30.9	0	0	0	0	105.5
18	Q	34.6	Very low	33.8	Very low	196 Å²	196	124.7 Å²	124.7	92%	0.916	72%	0.724	S	S	*	*			trans	-95.5	115.6	170.4	-71.4	-175.9	3.8	0	0	108.7
19	T	35.6	Very low	33.5	Very low	129 Å²	129	119.3 Å²	119.3	79%	0.791	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-85.2	123	172.2	39.2	0	0	0	0	109.7
20	P	37.5	Very low	33.2	Very low	123 Å²	123	113.8 Å²	113.8	80%	0.799	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-82	126.6	174	31.3	-31.1	0	0	0	110.5
21	S	33.1	Very low	33	Very low	112 Å²	112	114.9 Å²	114.9	78%	0.783	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-65.9	135.4	174.8	-52.9	0	0	0	0	111.5	S23	S21-S23 PolarHBondContact O-N 2.64Å; S21-S23 VanDerWaalsContact O-N 3.14Å
22	P	33.5	Very low	32.6	Very low	106 Å²	106	114.5 Å²	114.5	69%	0.688	66%	0.659	S	S	*	*			trans	-75.5	104.7	178.1	29.4	-33	0	0	0	111.2	H24	P22-H24 PolarHBondContact O-N 3.48Å; P22-H24 VanDerWaalsContact O-N 3.14Å
23	S	35.4	Very low	32.7	Very low	110 Å²	110	112.1 Å²	112.1	77%	0.769	66%	0.655	S	S	*	*			trans	-76.8	92.9	171.5	54.1	0	0	0	0	110.6	S21 S25	S21-S23 PolarHBondContact O-N 2.64Å; S21-S23 VanDerWaalsContact O-N 3.14Å; S23-S25 PolarHBondContact O-N 3.08Å
24	H	28.1	Very low	32.4	Very low	175 Å²	175	108.2 Å²	108.2	81%	0.81	65%	0.652	S	S	*	*			trans	-71.2	114.3	170.4	-71.4	-86.7	0	0	0	109.9	P22	P22-H24 PolarHBondContact O-N 3.48Å; P22-H24 VanDerWaalsContact O-N 3.14Å
25	S	33.3	Very low	32.3	Very low	61 Å²	61	111.7 Å²	111.7	43%	0.427	65%	0.654	S	S	.	*			trans	-140.4	135	179.4	-66.1	0	0	0	0	109.5	S23 S27	S23-S25 PolarHBondContact O-N 3.08Å; S25-S27 PolarHBondContact O-N 2.6Å
26	A	27.6	Very low	31.9	Very low	64 Å²	64	109.3 Å²	109.3	53%	0.529	65%	0.651	S	S	.	*			trans	-66	116.5	-167.6	0	0	0	0	0	111.4	Q300	A26-Q300 PolarHBondContact O-NE2 2.88Å; A26-Q300 PolarHBondContact O-OE1 3.4Å
27	S	30	Very low	31.9	Very low	37 Å²	37	116.3 Å²	116.3	26%	0.259	66%	0.66	S	S	.	*			trans	-139.3	104.7	178	-68.4	0	0	0	0	107.7	S25 S29 Q244	S25-S27 PolarHBondContact O-N 2.6Å; S27-S29 PolarHBondContact O-N 2.77Å; S27-S29 PolarHBondContact O-OG 3.43Å; S27-Q244 CarbonylContact C-O 3.6Å; S27-Q244 VanDerWaalsContact C-O 3.28Å; S27-Q244 WeakPolarHBondContact CA-O 3.17Å; S27-Q244 VanDerWaalsContact CB-O 3.25Å; S27-Q244 WeakPolarHBondContact CB-O 3.13Å
28	A	32.3	Very low	31.6	Very low	28 Å²	28	121 Å²	121	23%	0.231	67%	0.669	C	S	.	*			trans	-71.4	125.4	-164.2	0	0	0	0	0	112.4	Q244 L245 D330 A333	A28-Q244 PolarHBondContact N-O 3.34Å; A28-L245 HydrophobicContact CB-CD2 3.67Å; A28-L245 VanDerWaalsContact O-CA 3.32Å; A28-L245 WeakPolarHBondContact O-CA 3.47Å; A28-L245 VanDerWaalsContact O-CD2 3.24Å; A28-L245 WeakPolarHBondContact O-CD2 3.34Å; A28-D330 VanDerWaalsContact CA-CG 3.5Å; A28-D330 WeakPolarHBondContact CA-OD1 3.15Å; A28-D330 VanDerWaalsContact CA-OD2 3.31Å; A28-D330 WeakPolarHBondContact CA-OD2 3.14Å; A28-D330 HydrophobicContact CB-CB 4.35Å; A28-D330 WeakPolarHBondContact CB-OD1 3.41Å; A28-A333 HydrophobicContact CB-CB 4.32Å
29	S	31.5	Very low	31.5	Very low	35 Å²	35	120 Å²	120	25%	0.245	67%	0.669	C	S	.	*			trans	-143.1	104.9	-162	-58.2	0	0	0	0	112.7	S27 P246 N247 D330	S27-S29 PolarHBondContact O-N 2.77Å; S27-S29 PolarHBondContact O-OG 3.43Å; S29-P246 VanDerWaalsContact OG-CD 3.32Å; S29-P246 WeakPolarHBondContact OG-CD 3.48Å; S29-P246 VanDerWaalsContact OG-CG 3.26Å; S29-P246 WeakPolarHBondContact OG-CG 3.3Å; S29-N247 WeakPolarHBondContact CB-ND2 3.27Å; S29-N247 PolarHBondContact O-ND2 3.08Å; S29-D330 PolarHBondContact N-OD2 2.91Å
30	V	31.1	Very low	31.2	Very low	33 Å²	33	117.9 Å²	117.9	20%	0.2	66%	0.664	C	S	.	*			trans	-113	111	178.6	174.7	0	0	0	0	112.3	N247 D330 D361	V30-N247 PolarHBondContact N-ND2 3.02Å; V30-N247 WeakPolarHBondContact O-CB 3.05Å; V30-D330 HydrophobicContact CG2-CB 3.78Å; V30-D361 WeakPolarHBondContact CG1-O 3.25Å
31	T	27	Very low	31	Very low	113 Å²	113	116.5 Å²	116.5	69%	0.693	66%	0.663	S	S	*	*			trans	-70.7	137.9	-179.8	49.6	0	0	0	0	112.7	N247	T31-N247 WeakPolarHBondContact CG2-ND2 3.42Å; T31-N247 PolarHBondContact N-ND2 3.18Å
32	S	27.6	Very low	31	Very low	93 Å²	93	117 Å²	117	65%	0.65	66%	0.661	S	S	*	*			trans	-114.7	123.2	167.2	62.3	0	0	0	0	112.2
33	S	32.1	Very low	31	Very low	115 Å²	115	117.9 Å²	117.9	80%	0.804	67%	0.665	S	S	*	*			trans	-108.5	103.7	167.5	49.8	0	0	0	0	109.5	H35	S33-H35 PolarHBondContact O-N 3.01Å; S33-H35 VanDerWaalsContact O-N 3.15Å
34	L	27.8	Very low	30.8	Very low	160 Å²	160	116.9 Å²	116.9	84%	0.838	66%	0.663	S	S	*	*			trans	-63.8	110.4	171.1	-80	139.6	0	0	0	110.3
35	H	32.9	Very low	31.2	Very low	195 Å²	195	112.7 Å²	112.7	90%	0.903	66%	0.659	S	S	*	*			trans	-139.1	119.3	151.5	-95.1	94.8	0	0	0	112.2	S33	S33-H35 PolarHBondContact O-N 3.01Å; S33-H35 VanDerWaalsContact O-N 3.15Å
36	K	28.9	Very low	31.3	Very low	205 Å²	205	117.7 Å²	117.7	89%	0.891	68%	0.681	S	S	*	*			trans	-103.1	111.6	-171.8	-174.8	-176	-166.7	175.6	0	108.7
37	R	33.7	Very low	31.5	Very low	259 Å²	259	119.2 Å²	119.2	98%	0.977	69%	0.694	S	S	*	*			trans	-140.1	142.4	159.8	-102.5	175.3	-156.1	172.2	8.3	112.4
38	K	29.2	Very low	31.7	Very low	193 Å²	193	122.4 Å²	122.4	84%	0.839	72%	0.722	S	S	*	*			trans	-107	132.1	-164.9	161.9	-166.6	177.4	-174	0	108.4
39	L	34.3	Very low	32	Very low	175 Å²	175	125 Å²	125	92%	0.916	74%	0.743	S	S	*	*			trans	-149.4	149.4	151.7	-105	161.2	0	0	0	108.4
40	A	28.9	Very low	32.2	Very low	83 Å²	83	128.3 Å²	128.3	69%	0.686	77%	0.767	S	S	*	*			trans	-143.4	175	-168.5	0	0	0	0	0	109.9
41	A	31.8	Very low	32.5	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	80%	0.795	S	S	*	*			trans	77.4	141.3	-178.3	0	0	0	0	0	114
42	T	33.7	Very low	32.9	Very low	122 Å²	122	136.1 Å²	136.1	75%	0.748	80%	0.797	S	S	*	*			cis	-153.9	149.8	11.5	-13	0	0	0	0	112.7
43	T	33.1	Very low	33.3	Very low	125 Å²	125	140.3 Å²	140.3	77%	0.767	81%	0.807	S	S	*	*			trans	-6.7	159.9	146.6	54.9	0	0	0	0	120.4
44	A	32.7	Very low	33.4	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	80%	0.804	S	S	*	*			cis	-179.6	-168.5	-10.3	0	0	0	0	0	109
45	A	36.6	Very low	34.4	Very low	87 Å²	87	137.3 Å²	137.3	72%	0.719	80%	0.801	S	S	*	*			trans	77.1	142.9	168.9	0	0	0	0	0	116.9
46	N	35.2	Very low	34.9	Very low	167 Å²	167	133.3 Å²	133.3	89%	0.893	79%	0.793	S	S	*	*			cis	-153.7	167.5	-6.2	-111.3	-8.7	0	0	0	111.2
47	A	32	Very low	35.1	Very low	96 Å²	96	128.6 Å²	128.6	79%	0.793	79%	0.785	S	S	*	*			trans	-115	-173.7	-178	0	0	0	0	0	113.5
48	A	34.3	Very low	35.2	Very low	103 Å²	103	121.7 Å²	121.7	85%	0.851	78%	0.777	S	S	*	*			trans	84.2	145.5	-179.2	0	0	0	0	0	115.3
49	A	37.1	Very low	35.4	Very low	82 Å²	82	116.9 Å²	116.9	68%	0.678	77%	0.768	S	S	*	*			cis	-150.2	146.8	5.9	0	0	0	0	0	109.6
50	S	36.6	Very low	35.3	Very low	106 Å²	106	118.2 Å²	118.2	74%	0.741	77%	0.767	S	S	*	*				71.6	142.2	88.5	91.5	0	0	0	0	114.2
51	E	36.8	Very low	35.9	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	77%	0.769	S	S	*	*			cis	-148.4	171	8.6	-63.8	178	116.7	0	0	111.9
52	D	34.7	Very low	36.5	Very low	139 Å²	139	120.5 Å²	120.5	74%	0.743	77%	0.766	S	S	*	*			trans	45.7	138.2	150.9	-74.4	-26.3	0	0	0	123.6
53	H	37.2	Very low	36.5	Very low	182 Å²	182	120.1 Å²	120.1	84%	0.843	77%	0.769	S	S	*	*			cis	-165.4	171.1	46.8	-127.3	-5.9	0	0	0	113.3
54	A	34.1	Very low	36.3	Very low	90 Å²	90	119 Å²	119	74%	0.744	77%	0.766	S	S	*	*			trans	-126	167.9	-171.1	0	0	0	0	0	114.7
55	P	48.3	Very low	36.3	Very low	121 Å²	121	124.2 Å²	124.2	79%	0.786	77%	0.773	S	S	*	*			trans	-99.5	-173.6	-164.4	44.2	-39.3	0	0	0	113.5
56	P	42.8	Very low	36.2	Very low	112 Å²	112	125 Å²	125	73%	0.727	77%	0.773	S	S	*	*				-164.4	176.6	82.4	44.1	-22.1	0	0	0	120.3
57	S	33.1	Very low	35.8	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	77%	0.768	S	S	*	*			trans	88.1	153.6	136.9	77	0	0	0	0	125.4
58	S	36.4	Very low	35.8	Very low	115 Å²	115	124.9 Å²	124.9	80%	0.804	77%	0.772	S	S	*	*			trans	84.7	160	167.4	79.6	0	0	0	0	119.9
59	S	33.1	Very low	35.5	Very low	92 Å²	92	125.9 Å²	125.9	64%	0.643	77%	0.768	S	S	*	*				-168.7	147.4	-79.1	51.1	0	0	0	0	114.1
60	F	33	Very low	35.3	Very low	203 Å²	203	133.8 Å²	133.8	89%	0.89	78%	0.78	S	S	*	*			trans	87.3	150.3	164	-66.5	-79.2	0	0	0	121.8
61	P	42.3	Very low	35.1	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	79%	0.785	S	S	*	*			trans	-122	-145.5	-165.2	46.4	-28.6	0	0	0	111.2
62	P	42.5	Very low	34.6	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	78%	0.782	S	S	*	*			cis	-137.1	171.5	-13.1	39.4	-20.8	0	0	0	117.2
63	S	34.6	Very low	34.4	Very low	115 Å²	115	129 Å²	129	80%	0.804	78%	0.78	S	S	*	*			trans	169.6	113.9	140.6	36.3	0	0	0	0	109.6
64	S	29.6	Very low	33.9	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	78%	0.779	S	S	*	*				76	105.7	89.4	-177.8	0	0	0	0	115.1
65	F	32.9	Very low	33.7	Very low	199 Å²	199	129.4 Å²	129.4	87%	0.873	78%	0.779	S	S	*	*				-167.1	140	129.8	-99.7	-65.5	0	0	0	112.1
66	S	32.9	Very low	32.9	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	78%	0.778	S	S	*	*			trans	8.5	117.4	163.5	-51.9	0	0	0	0	119.5
67	A	28	Very low	32.2	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	79%	0.785	S	S	*	*				76	104.9	69.4	0	0	0	0	0	114.1
68	D	31	Very low	32.1	Very low	165 Å²	165	133.5 Å²	133.5	88%	0.882	79%	0.789	S	S	*	*			trans	-153.8	135.6	145.8	-119.8	-25.4	0	0	0	110.9
69	T	27.9	Very low	31.9	Very low	124 Å²	124	136.7 Å²	136.7	76%	0.761	79%	0.791	S	S	*	*			trans	-88	129.7	-172.4	42.8	0	0	0	0	111.9
70	R	32.7	Very low	31.9	Very low	248 Å²	248	140.4 Å²	140.4	94%	0.936	80%	0.803	S	S	*	*			trans	-120.8	104.6	163.8	-66.6	-174	77.9	152.3	2.7	109.6	G72	R70-G72 PolarHBondContact O-N 2.94Å
71	D	32.7	Very low	31.9	Very low	159 Å²	159	139.4 Å²	139.4	85%	0.85	80%	0.801	S	S	*	*			trans	-59.3	128.7	176.8	-79.2	-55.9	0	0	0	111.7	A73	D71-A73 PolarHBondContact O-N 2.87Å
72	G	26.6	Very low	31.4	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	81%	0.806	S	S	*	*			trans	-75.3	98.7	169.2	0	0	0	0	0	109.9	R70 L74	R70-G72 PolarHBondContact O-N 2.94Å; G72-L74 PolarHBondContact O-N 3.16Å
73	A	30.9	Very low	30.7	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	81%	0.813	S	S	*	*			trans	-64	105.4	175.5	0	0	0	0	0	110.8	D71 T75	D71-A73 PolarHBondContact O-N 2.87Å; A73-T75 PolarHBondContact O-N 3.11Å
74	L	27.4	Very low	30.5	Very low	157 Å²	157	142.4 Å²	142.4	82%	0.822	81%	0.812	S	S	*	*			trans	-69.5	91.2	167.3	-66.9	170.4	0	0	0	109.1	G72	G72-L74 PolarHBondContact O-N 3.16Å
75	T	29.7	Very low	30.6	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	82%	0.816	S	S	*	*			trans	-90.7	135.3	170.6	52.5	0	0	0	0	110.9	A73	A73-T75 PolarHBondContact O-N 3.11Å
76	S	30.8	Very low	30.4	Very low	108 Å²	108	144.9 Å²	144.9	76%	0.755	82%	0.82	S	S	*	*			trans	-68	133.2	178.9	46.3	0	0	0	0	111.7	D78	S76-D78 VanDerWaalsContact C-N 3.35Å; S76-D78 PolarHBondContact O-N 3.24Å
77	N	27.3	Very low	30.4	Very low	165 Å²	165	142.9 Å²	142.9	88%	0.882	82%	0.816	S	S	*	*	S	Bend	trans	-67.6	87.5	170	-73.6	-49	0	0	0	111.1
78	D	32.4	Very low	30.6	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	82%	0.816	S	S	*	*			trans	-151.5	34.9	168.9	-107.1	-24.2	0	0	0	111.7	S76	S76-D78 VanDerWaalsContact C-N 3.35Å; S76-D78 PolarHBondContact O-N 3.24Å
79	E	31.6	Very low	30.7	Very low	182 Å²	182	142.6 Å²	142.6	85%	0.85	82%	0.815	S	S	*	*			trans	-157.2	96.1	171.3	-115.1	163.3	-154.3	0	0	111
80	L	32.9	Very low	31.1	Very low	170 Å²	170	143 Å²	143	89%	0.89	82%	0.818	S	S	*	*			trans	-134.8	79.3	162.1	-78.8	-179.3	0	0	0	108.5
81	E	32.7	Very low	31.1	Very low	181 Å²	181	138.7 Å²	138.7	85%	0.846	81%	0.813	S	S	*	*			trans	-63.4	139.5	157.6	-71.9	-166.5	144.3	0	0	109.4	I83	E81-I83 PolarHBondContact O-N 3.46Å; E81-I83 VanDerWaalsContact O-N 3.09Å
82	S	31.9	Very low	31.5	Very low	119 Å²	119	136.5 Å²	136.5	83%	0.832	81%	0.81	S	S	*	*			trans	-69.6	103.5	-171	46.6	0	0	0	0	112.5	S84	S82-S84 PolarHBondContact O-N 3.44Å
83	I	27.3	Very low	32	Very low	171 Å²	171	140.7 Å²	140.7	88%	0.877	82%	0.816	S	S	*	*			trans	-72.5	110.9	158.1	46.7	165.8	0	0	0	110	E81	E81-I83 PolarHBondContact O-N 3.46Å; E81-I83 VanDerWaalsContact O-N 3.09Å
84	S	31	Very low	32.3	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	82%	0.82	S	S	*	*			trans	-151.4	124	163.7	-165.2	0	0	0	0	111.6	S82	S82-S84 PolarHBondContact O-N 3.44Å
85	A	31.3	Very low	33	Very low	95 Å²	95	142.8 Å²	142.8	79%	0.785	82%	0.823	S	S	*	*			trans	50.6	83.8	160.2	0	0	0	0	0	118.3
86	R	29.7	Very low	33.4	Very low	257 Å²	257	145.4 Å²	145.4	97%	0.97	83%	0.826	S	S	*	*			trans	-78.2	106.2	139.1	-101.1	-178.8	164.7	167.9	-5.9	107.8
87	G	32	Very low	33.8	Very low	62 Å²	62	145 Å²	145	64%	0.639	82%	0.824	S	S	*	*			trans	-65.8	149.4	157.7	0	0	0	0	0	109.4
88	A	32.1	Very low	34.4	Very low	95 Å²	95	145.6 Å²	145.6	79%	0.785	82%	0.821	S	S	*	*			trans	-94.8	102.7	176.4	0	0	0	0	0	109.2
89	D	33.4	Very low	34.6	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	82%	0.819	S	S	*	*			trans	-85	133	163.8	-64.2	-48.3	0	0	0	108.4
90	T	36.7	Very low	34.9	Very low	133 Å²	133	143.2 Å²	143.2	82%	0.816	81%	0.813	S	S	*	*			trans	-117.9	114	178.9	-36	0	0	0	0	107.3
91	D	32.8	Very low	35.2	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	81%	0.805	S	S	*	*			trans	-64.3	139.3	179.5	-67.8	-53	0	0	0	111.7
92	S	40.6	Very low	35.6	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	80%	0.796	S	S	*	*			trans	-158.3	128.9	157.7	-69.4	0	0	0	0	108.2
93	D	38.4	Very low	36	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	79%	0.791	S	S	*	*			trans	-70.6	156.9	-160.6	-49.3	-93.1	0	0	0	115.7
94	P	37.3	Very low	36.8	Very low	124 Å²	124	136.2 Å²	136.2	81%	0.805	78%	0.782	S	S	*	*			trans	-96.6	131.2	162.6	35.3	-27	0	0	0	111.8
95	D	41.7	Very low	37.3	Very low	162 Å²	162	138 Å²	138	87%	0.866	78%	0.783	S	S	*	*			trans	-110.4	165	165.9	-108.7	-30.9	0	0	0	110.9
96	E	38.2	Very low	37.8	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	79%	0.787	S	S	*	*			trans	-84.8	175.8	-149.1	-53.6	178.6	123.2	0	0	117.8
97	S	39.3	Very low	38.4	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	79%	0.785	S	S	*	*			trans	100.2	118.2	146.3	71.2	0	0	0	0	120.9
98	E	39.8	Very low	38.9	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	79%	0.788	S	S	*	*				62.3	138	128.3	-69.9	174.8	-147.4	0	0	119.6
99	D	35.3	Very low	39.1	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	79%	0.787	S	S	*	*			cis	-167.6	-168.3	-7.1	-144.3	-16.2	0	0	0	108.5
100	I	39.4	Very low	39.5	Very low	141 Å²	141	142.7 Å²	142.7	72%	0.723	78%	0.779	S	S	*	*			trans	90.4	90.7	161.6	-51.2	-173.2	0	0	0	118.1
101	V	37.7	Very low	39.4	Very low	120 Å²	120	142 Å²	142	73%	0.727	78%	0.778	S	S	*	*				24.7	153.5	119.7	-55.9	0	0	0	0	121.3
102	V	40.8	Very low	39.6	Very low	110 Å²	110	143.6 Å²	143.6	67%	0.667	78%	0.78	S	S	*	*			cis	-159.7	169	22	-131.7	0	0	0	0	111.6
103	D	41.8	Very low	39.1	Very low	133 Å²	133	146.5 Å²	146.5	71%	0.711	78%	0.781	S	S	*	*			trans	68	139.5	147.1	-59.3	-14.2	0	0	0	120.3
104	D	42.8	Very low	38.9	Very low	131 Å²	131	145 Å²	145	70%	0.701	77%	0.773	S	S	*	*			cis	-160.8	-177.9	-8.7	-137.6	-23.8	0	0	0	111.5
105	D	42.9	Very low	38.7	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	77%	0.77	S	S	*	*			trans	84.2	112.4	159.2	-65.9	-42.8	0	0	0	120.8
106	E	41	Very low	38.1	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	77%	0.766	S	S	*	*			trans	-74	157	-174.3	-52.5	172.6	131.1	0	0	115.8
107	D	43.3	Very low	37.8	Very low	175 Å²	175	143 Å²	143	94%	0.936	77%	0.765	S	S	*	*				-163.3	146	124	-114.3	-31.2	0	0	0	111.3
108	E	41.6	Very low	37.3	Very low	149 Å²	149	143 Å²	143	70%	0.696	77%	0.765	S	S	*	*			trans	-115.3	171.9	-146.6	-159	-168.1	164.1	0	0	116.4
109	F	36.9	Very low	36.8	Very low	175 Å²	175	141.7 Å²	141.7	77%	0.768	76%	0.762	S	S	*	*			trans	77.4	136.2	167	-66.2	-90.1	0	0	0	119.5
110	A	41.3	Very low	36.6	Very low	84 Å²	84	145.2 Å²	145.2	69%	0.694	77%	0.765	S	S	*	*			cis	-166.8	163.6	-19.2	0	0	0	0	0	109.6
111	P	35.1	Very low	36.1	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	77%	0.767	S	S	*	*			trans	-115.1	155.7	-162.7	40.1	-31.2	0	0	0	117.3
112	E	36.4	Very low	35.7	Very low	190 Å²	190	147.1 Å²	147.1	89%	0.888	77%	0.769	S	S	*	*			trans	-138.4	114.9	156.1	-66.2	-174.7	156.3	0	0	106
113	Q	31	Very low	35.2	Very low	173 Å²	173	148 Å²	148	81%	0.808	78%	0.775	S	S	*	*				71.6	139.6	73	-76.2	-165.7	-4.3	0	0	116
114	D	34	Very low	34.5	Very low	128 Å²	128	146.8 Å²	146.8	68%	0.684	78%	0.783	S	S	*	*			trans	71.9	142.6	170.5	-62.1	-12.6	0	0	0	119.1
115	Q	32	Very low	33.9	Very low	159 Å²	159	145.3 Å²	145.3	74%	0.743	79%	0.789	S	S	*	*			cis	-179.5	147.6	-24.3	-116.8	174.5	67.1	0	0	105.9
116	D	29	Very low	33.4	Very low	145 Å²	145	149.1 Å²	149.1	78%	0.775	79%	0.792	S	S	*	*			trans	30.1	120.1	160	-77.2	-28.7	0	0	0	123.4
117	S	31.6	Very low	32.9	Very low	117 Å²	117	147.8 Å²	147.8	82%	0.818	79%	0.79	S	S	*	*				173.9	117.3	117.6	40.7	0	0	0	0	109.6
118	S	28.7	Very low	32.2	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	78%	0.782	S	S	*	*				67.9	103.2	51.4	-160.6	0	0	0	0	114.7
119	I	31	Very low	31.7	Very low	149 Å²	149	144.3 Å²	144.3	76%	0.764	79%	0.785	S	S	*	*			trans	41.6	114.9	148.8	-70.4	170.1	0	0	0	118.1
120	R	31	Very low	31.4	Very low	217 Å²	217	140.8 Å²	140.8	82%	0.819	78%	0.782	S	S	*	*			trans	-140.6	94.5	150.3	-71.8	-161.9	179.1	-166.9	-0	113.3	F122	R120-F122 HydrophobicContact CB-CD2 4.49Å; R120-F122 HydrophobicContact CB-CE2 4.42Å
121	T	27.7	Very low	31.1	Very low	124 Å²	124	142.8 Å²	142.8	76%	0.761	79%	0.791	S	S	*	*			trans	-68.2	135.5	156.8	-50.5	0	0	0	0	109.2
122	F	28.8	Very low	30.7	Very low	177 Å²	177	140.5 Å²	140.5	78%	0.776	79%	0.79	S	S	*	*			trans	-115.9	115	173.4	-100.7	-82.7	0	0	0	111.6	R120	R120-F122 HydrophobicContact CB-CD2 4.49Å; R120-F122 HydrophobicContact CB-CE2 4.42Å
123	T	30.3	Very low	30.5	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.3	149.8	170.6	42.2	0	0	0	0	111.1
124	A	27.9	Very low	30.4	Very low	107 Å²	107	137.8 Å²	137.8	88%	0.884	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.3	128.9	-178.2	0	0	0	0	0	112.3
125	A	30.9	Very low	30.2	Very low	101 Å²	101	135.5 Å²	135.5	84%	0.835	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-94.4	131.6	168.3	0	0	0	0	0	110.7
126	R	31.6	Very low	30.1	Very low	230 Å²	230	133.4 Å²	133.4	87%	0.868	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.4	161.5	173.8	-84.2	179.9	170.1	162.6	-2.8	111.5
127	L	30.4	Very low	30.2	Very low	156 Å²	156	132 Å²	132	82%	0.817	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-55.5	145.3	176.7	-65.4	106	0	0	0	112.2
128	D	30	Very low	30	Very low	141 Å²	141	138 Å²	138	75%	0.754	81%	0.807	S	S	*	*			trans	-117.3	133.4	149.7	-145.1	-26	0	0	0	108.8
129	S	29.6	Very low	30.1	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	81%	0.814	S	S	*	*			trans	-160.1	71.8	-177.9	-75.4	0	0	0	0	108.9
130	S	32.3	Very low	30.2	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	82%	0.818	S	S	*	*			trans	-104.7	121	169.2	48	0	0	0	0	110.2
131	S	33.6	Very low	30.1	Very low	126 Å²	126	139.2 Å²	139.2	88%	0.881	82%	0.82	S	S	*	*			trans	-66.4	133	167.3	33.9	0	0	0	0	109.7
132	G	26.5	Very low	30.4	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	82%	0.824	S	S	*	*			trans	-84.7	166.9	-167.9	0	0	0	0	0	115.7
133	V	33.1	Very low	30.4	Very low	144 Å²	144	141.3 Å²	141.3	87%	0.873	83%	0.825	S	S	*	*			trans	-142.1	145.7	152.3	177.9	0	0	0	0	108.4
134	N	28	Very low	30.2	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	82%	0.824	S	S	*	*			trans	-41.3	146.7	-179.1	-59.4	-35.5	0	0	0	117.1
135	G	30.5	Very low	30.3	Very low	79 Å²	79	145.3 Å²	145.3	81%	0.814	83%	0.825	S	S	*	*			trans	-173	72.5	173.5	0	0	0	0	0	115.2
136	S	29.4	Very low	30	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	82%	0.822	S	S	*	*			trans	-5.3	151.8	168.8	-58.3	0	0	0	0	123.9
137	S	30.5	Very low	30	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	82%	0.821	S	S	*	*			trans	86.2	85.6	146.9	-58.3	0	0	0	0	119.9
138	R	28.8	Very low	29.8	Very low	244 Å²	244	139.3 Å²	139.3	92%	0.921	82%	0.82	S	S	*	*			trans	-81.1	138.2	142.9	-73.6	-178	-178.4	162.4	1.6	109.3
139	N	29.7	Very low	29.8	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	82%	0.822	S	S	*	*			trans	-127.4	94.7	173	-153.5	4	0	0	0	109.6
140	T	34.5	Very low	29.8	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	82%	0.821	S	S	*	*			trans	-114.7	104	171.1	45.7	0	0	0	0	109
141	K	28.5	Very low	29.8	Very low	195 Å²	195	143.7 Å²	143.7	85%	0.848	82%	0.823	S	S	*	*			trans	-74.5	125.5	-175.7	172.6	-172.9	-176.9	-179.7	0	111.6
142	L	32.5	Very low	29.8	Very low	163 Å²	163	145 Å²	145	85%	0.853	82%	0.815	S	S	*	*			trans	-163.3	123.5	154.1	-104.7	151.7	0	0	0	112
143	K	29.2	Very low	29.9	Very low	181 Å²	181	147.1 Å²	147.1	79%	0.787	82%	0.818	S	S	*	*			trans	21.2	119.3	161.5	-84.8	172.5	163.6	-179.6	0	120.1
144	T	27.3	Very low	30.1	Very low	126 Å²	126	146.3 Å²	146.3	77%	0.773	82%	0.818	S	S	*	*				68	113.6	87.7	-49.3	0	0	0	0	111.2
145	E	30.1	Very low	30.3	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	82%	0.82	S	S	*	*				-143.1	-178.3	73.8	-80.4	177.7	168.3	0	0	115.3
146	S	23.8	Very low	30.6	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	82%	0.817	S	S	*	*			trans	-115.4	145	-160.9	178.8	0	0	0	0	114.4
147	S	31	Very low	30.9	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	81%	0.813	S	S	*	*			trans	-167.6	132.9	150.7	-80.2	0	0	0	0	112.7
148	T	27	Very low	31.4	Very low	129 Å²	129	147.6 Å²	147.6	79%	0.791	81%	0.814	S	S	*	*			trans	-75.2	165.2	172.3	27.9	0	0	0	0	111.9
149	V	30.9	Very low	31.8	Very low	132 Å²	132	142.2 Å²	142.2	80%	0.8	80%	0.803	S	S	*	*				-166.1	128.1	62.1	-131.6	0	0	0	0	108.8
150	K	27.8	Very low	32.2	Very low	170 Å²	170	138.7 Å²	138.7	74%	0.739	81%	0.805	S	S	*	*				69.3	146.1	93.9	-150.2	-171.3	175.9	-161.4	0	118.9
151	L	33.7	Very low	32.3	Very low	141 Å²	141	135.6 Å²	135.6	74%	0.738	80%	0.8	S	S	*	*			trans	99.8	143.6	170.7	-76.1	99.8	0	0	0	116.6
152	E	32.2	Very low	32.8	Very low	154 Å²	154	132.3 Å²	132.3	72%	0.72	80%	0.801	S	S	*	*			cis	-164.9	175.8	-31.6	-132.1	160.2	-147.9	0	0	110
153	S	30.4	Very low	33	Very low	117 Å²	117	129.2 Å²	129.2	82%	0.818	79%	0.793	S	S	*	*			trans	-119.7	158	-162.3	-44.2	0	0	0	0	115.9
154	S	36.6	Very low	33.5	Very low	126 Å²	126	126.8 Å²	126.8	88%	0.881	79%	0.793	S	S	*	*			trans	176.8	174.3	155.5	40.5	0	0	0	0	113.4
155	D	32.7	Very low	33.9	Very low	169 Å²	169	127.1 Å²	127.1	90%	0.904	80%	0.795	S	S	*	*				-155.8	162.9	-91.8	-176.6	30.4	0	0	0	111.8
156	G	35.6	Very low	34.4	Very low	72 Å²	72	121 Å²	121	74%	0.742	78%	0.784	S	S	*	*			trans	85.6	148.5	165.5	0	0	0	0	0	119
157	G	37	Very low	34.9	Very low	72 Å²	72	122.6 Å²	122.6	74%	0.742	79%	0.789	S	S	*	*			cis	165.3	153.2	-12	0	0	0	0	0	114.7
158	K	39.3	Very low	35.2	Very low	186 Å²	186	120 Å²	120	81%	0.809	78%	0.781	S	S	*	*			trans	64.7	159.2	155.3	-72.6	-176.1	143.7	-126.4	0	120.6
159	D	38.4	Very low	35.7	Very low	131 Å²	131	120.5 Å²	120.5	70%	0.701	78%	0.784	S	S	*	*			cis	-162.9	158.9	-5.1	-108.1	-22.8	0	0	0	111.8
160	G	37.5	Very low	35.9	Very low	85 Å²	85	119.9 Å²	119.9	88%	0.876	79%	0.786	S	S	*	*			trans	84.9	149.1	153.8	0	0	0	0	0	121
161	G	37.3	Very low	36.2	Very low	73 Å²	73	114.6 Å²	114.6	75%	0.753	78%	0.779	S	S	*	*			cis	170.4	152	-11.3	0	0	0	0	0	115.5
162	S	38.8	Very low	36	Very low	125 Å²	125	114.6 Å²	114.6	87%	0.874	79%	0.785	S	S	*	*			trans	66.3	155.1	157.1	-63.8	0	0	0	0	122
163	S	36.6	Very low	36.1	Very low	98 Å²	98	114 Å²	114	69%	0.685	79%	0.792	S	S	*	*			cis	-178.9	175.2	-22.6	56.1	0	0	0	0	112.1
164	V	39.3	Very low	36	Very low	130 Å²	130	112 Å²	112	79%	0.788	79%	0.79	S	S	*	*			trans	83.3	146.7	165.3	-165.9	0	0	0	0	117.7
165	V	36.1	Very low	35.7	Very low	134 Å²	134	110 Å²	110	81%	0.812	79%	0.789	S	S	*	*				167.5	141.9	-51.1	154.3	0	0	0	0	109.6
166	G	39.7	Very low	35.5	Very low	64 Å²	64	107.4 Å²	107.4	66%	0.66	78%	0.784	S	S	*	*			trans	147.5	80.8	163.9	0	0	0	0	0	115.4
167	T	34.5	Very low	35	Very low	145 Å²	145	108.9 Å²	108.9	89%	0.89	78%	0.783	S	S	*	*				67.3	123.9	80.6	56.5	0	0	0	0	119.1
168	G	37.6	Very low	34.7	Very low	66 Å²	66	113.5 Å²	113.5	68%	0.68	79%	0.789	S	S	*	*			trans	149.3	77.7	170	0	0	0	0	0	112.8
169	V	38.5	Very low	34.1	Very low	140 Å²	140	110.3 Å²	110.3	85%	0.848	79%	0.79	S	S	*	*				63.2	122.3	84.1	178.3	0	0	0	0	112.2
170	S	35.4	Very low	33.7	Very low	120 Å²	120	107.6 Å²	107.6	84%	0.839	79%	0.793	S	S	*	*			cis	-162.7	177.1	-1.5	-113	0	0	0	0	109.6
171	G	33.1	Very low	33.3	Very low	59 Å²	59	111.8 Å²	111.8	61%	0.608	79%	0.794	S	S	*	*			cis	-176.3	174.5	0.1	0	0	0	0	0	113.8
172	T	29.5	Very low	33	Very low	140 Å²	140	114.7 Å²	114.7	86%	0.859	80%	0.797	S	S	*	*			trans	29	130.8	152.8	58.9	0	0	0	0	119.9
173	V	33.2	Very low	32.9	Very low	143 Å²	143	114.3 Å²	114.3	87%	0.867	79%	0.792	S	S	*	*			cis	-151.9	148.2	40	177	0	0	0	0	106.4
174	G	29.3	Very low	32.7	Very low	75 Å²	75	119.1 Å²	119.1	77%	0.773	80%	0.8	S	S	*	*			cis	127.7	110.2	22.3	0	0	0	0	0	108.2
175	G	30	Very low	32.7	Very low	83 Å²	83	118.8 Å²	118.8	86%	0.856	79%	0.794	S	S	*	*			trans	162.3	122.2	-178.2	0	0	0	0	0	114.9
176	S	28.5	Very low	32.8	Very low	114 Å²	114	119.5 Å²	119.5	80%	0.797	79%	0.789	S	S	*	*			trans	-65.3	146.8	-166.2	-49.5	0	0	0	0	118.6
177	S	25.3	Very low	32.9	Very low	104 Å²	104	120.1 Å²	120.1	73%	0.727	78%	0.783	S	S	*	*			trans	51.1	119.6	137.5	62	0	0	0	0	121.6
178	I	31.7	Very low	33.3	Very low	169 Å²	169	118.3 Å²	118.3	87%	0.867	77%	0.771	S	S	*	*				-174	146.8	123.6	-99.9	157.9	0	0	0	110.7
179	S	25.4	Very low	33.2	Very low	118 Å²	118	121 Å²	121	83%	0.825	76%	0.764	S	S	*	*			trans	-68.6	127.4	176	-56.6	0	0	0	0	112.3
180	G	29.5	Very low	33.1	Very low	74 Å²	74	119.2 Å²	119.2	76%	0.763	75%	0.753	S	S	*	*			trans	-105	109.7	174.2	0	0	0	0	0	112.6
181	L	30.8	Very low	33.2	Very low	173 Å²	173	118.7 Å²	118.7	91%	0.906	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74.1	130.5	163.1	-84.7	124.3	0	0	0	109.6
182	V	30.7	Very low	33.3	Very low	134 Å²	134	118.6 Å²	118.6	81%	0.812	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-84.3	121.6	172.6	179.1	0	0	0	0	109	K184	V182-K184 PolarHBondContact O-N 2.78Å
183	P	35.6	Very low	33.5	Very low	118 Å²	118	117.1 Å²	117.1	77%	0.766	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-66.7	131.7	172.6	-16.8	31.1	0	0	0	110.3
184	K	33.6	Very low	33.5	Very low	198 Å²	198	115.6 Å²	115.6	86%	0.861	71%	0.705	S	S	*	*			trans	-92.6	109.3	176.4	-167.1	174.5	-173.3	174.4	0	108.3	V182 E186	V182-K184 PolarHBondContact O-N 2.78Å; K184-E186 PolarHBondContact O-N 2.98Å
185	D	39.2	Very low	34	Very low	123 Å²	123	117.8 Å²	117.8	66%	0.658	69%	0.693	S	S	*	*			trans	-60	103.3	-177.7	-102.2	-52.7	0	0	0	112.2	V188	D185-V188 HydrophobicContact CB-CG2 4.42Å
186	E	38.3	Very low	34.5	Very low	150 Å²	150	121.5 Å²	121.5	70%	0.701	69%	0.688	S	S	*	*			trans	-78.1	-23.6	174.4	-117	172.9	173.8	0	0	112.3	K184 V188 K189	K184-E186 PolarHBondContact O-N 2.98Å; E186-V188 PolarHBondContact O-N 2.98Å; E186-V188 VanDerWaalsContact O-N 3.16Å; E186-K189 WeakPolarHBondContact O-CB 3.22Å; E186-K189 PolarHBondContact O-N 2.9Å; E186-K189 VanDerWaalsContact O-N 3.09Å
187	S	41.4	Very low	35.1	Very low	76 Å²	76	119 Å²	119	53%	0.531	67%	0.668	S	S	.	*	H	α-helix	trans	-63.3	-22.9	-175.2	-49.3	0	0	0	0	114.2
188	V	43.1	Very low	36.3	Very low	107 Å²	107	115.9 Å²	115.9	65%	0.648	65%	0.646	S	S	*	*	H	α-helix	trans	-79	-22.2	178.7	-175.1	0	0	0	0	112	D185 E186	D185-V188 HydrophobicContact CB-CG2 4.42Å; E186-V188 PolarHBondContact O-N 2.98Å; E186-V188 VanDerWaalsContact O-N 3.16Å
189	K	35.6	Very low	37.7	Very low	122 Å²	122	109.4 Å²	109.4	53%	0.53	62%	0.621	S	S	.	*	H	α-helix	trans	-70.6	-38.2	179.5	-75.8	-175.9	168.5	-172.9	0	113.3	E186 L191 A192 E193	E186-K189 WeakPolarHBondContact O-CB 3.22Å; E186-K189 PolarHBondContact O-N 2.9Å; E186-K189 VanDerWaalsContact O-N 3.09Å; K189-L191 PolarHBondContact O-N 2.86Å; K189-A192 WeakPolarHBondContact O-CA 3.26Å; K189-A192 WeakPolarHBondContact O-CB 3.43Å; K189-A192 PolarHBondContact O-N 3.36Å; K189-E193 PolarHBondContact O-N 3.06Å
190	V	36.3	Very low	39.9	Very low	103 Å²	103	106.8 Å²	106.8	62%	0.624	61%	0.607	S	S	*	*	H	α-helix	trans	-62.8	-32.5	-173.7	-173.5	0	0	0	0	111.9
191	L	36.5	Very low	42	Very low	109 Å²	109	109.5 Å²	109.5	57%	0.571	60%	0.595	S	S	*	*	H	α-helix	trans	-76.5	-27.8	174.3	-148.6	79.4	0	0	0	112.7	K189	K189-L191 PolarHBondContact O-N 2.86Å
192	A	35.6	Very low	44.3	Very low	57 Å²	57	102.7 Å²	102.7	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-78.5	-32.5	178	0	0	0	0	0	112.9	K189 N194 F195	K189-A192 WeakPolarHBondContact O-CA 3.26Å; K189-A192 WeakPolarHBondContact O-CB 3.43Å; K189-A192 PolarHBondContact O-N 3.36Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.36Å; A192-F195 WeakPolarHBondContact O-CB 3.27Å; A192-F195 PolarHBondContact O-N 3.16Å
193	E	34	Very low	46.7	Very low	109 Å²	109	99 Å²	99	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-28.5	180	-75.5	171.6	-169.5	0	0	112.5	K189 F195 Q196	K189-E193 PolarHBondContact O-N 3.06Å; E193-F195 PolarHBondContact O-N 3.03Å; E193-Q196 WeakPolarHBondContact O-CB 3.43Å; E193-Q196 PolarHBondContact O-N 2.67Å
194	N	34.1	Very low	49	Very low	112 Å²	112	98.3 Å²	98.3	60%	0.599	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-66.5	-16.9	171.3	-88	-11.1	0	0	0	114	A192 Q196 T197	A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.36Å; N194-Q196 VanDerWaalsContact C-N 3.32Å; N194-T197 WeakPolarHBondContact O-CB 3.32Å; N194-T197 WeakPolarHBondContact O-CG2 3.49Å; N194-T197 PolarHBondContact O-N 2.98Å; N194-T197 PolarHBondContact O-OG1 3.15Å
195	F	39.6	Very low	51.4	Low	121 Å²	121	89.6 Å²	89.6	53%	0.531	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-75.1	-19.8	170.1	-79.1	-86.9	0	0	0	113.2	A192 E193 T197 S198	A192-F195 WeakPolarHBondContact O-CB 3.27Å; A192-F195 PolarHBondContact O-N 3.16Å; E193-F195 PolarHBondContact O-N 3.03Å; F195-T197 PolarHBondContact O-N 3.24Å; F195-S198 PolarHBondContact O-N 3.26Å
196	Q	40.3	Very low	53.6	Low	160 Å²	160	85.9 Å²	85.9	75%	0.748	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-72	-4.7	171.9	-67.7	175.6	-29.6	0	0	112.6	E193 N194 S198	E193-Q196 WeakPolarHBondContact O-CB 3.43Å; E193-Q196 PolarHBondContact O-N 2.67Å; N194-Q196 VanDerWaalsContact C-N 3.32Å; Q196-S198 PolarHBondContact O-N 3.49Å; Q196-S198 VanDerWaalsContact O-N 3.15Å
197	T	39.9	Very low	56.1	Low	61 Å²	61	80.6 Å²	80.6	37%	0.374	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-73.1	13.3	165.4	69.7	0	0	0	0	114.1	N194 F195 G199 R387	N194-T197 WeakPolarHBondContact O-CB 3.32Å; N194-T197 WeakPolarHBondContact O-CG2 3.49Å; N194-T197 PolarHBondContact O-N 2.98Å; N194-T197 PolarHBondContact O-OG1 3.15Å; F195-T197 PolarHBondContact O-N 3.24Å; T197-G199 PolarHBondContact O-N 3.38Å; T197-R387 PolarHBondContact OG1-NH2 3.41Å
198	S	51.4	Low	58.4	Low	40 Å²	40	77.4 Å²	77.4	28%	0.28	43%	0.425	S	S	.	.	S	Bend	trans	-66.8	74.5	153	-69.5	0	0	0	0	108.7	F195 Q196	F195-S198 PolarHBondContact O-N 3.26Å; Q196-S198 PolarHBondContact O-N 3.49Å; Q196-S198 VanDerWaalsContact O-N 3.15Å
199	G	61.7	Low	60.7	Low	33 Å²	33	74.4 Å²	74.4	34%	0.34	40%	0.403	S	S	.	.			trans	-57.8	167.4	-156.4	0	0	0	0	0	115.1	T197 Y201 I202 A203	T197-G199 PolarHBondContact O-N 3.38Å; G199-Y201 CarbonylContact O-C 3.46Å; G199-Y201 PolarHBondContact O-N 3.31Å; G199-I202 PolarHBondContact O-N 3.27Å; G199-A203 PolarHBondContact O-N 3.45Å
200	A	70.6	Confident	63.4	Low	63 Å²	63	75.4 Å²	75.4	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-53.4	-15.6	-173.1	0	0	0	0	0	115.3	R204	A200-R204 WeakPolarHBondContact O-CG 3.48Å; A200-R204 PolarHBondContact O-N 3.17Å; A200-R204 PolarHBondContact O-NE 2.6Å
201	Y	73.7	Confident	66	Low	130 Å²	130	72.3 Å²	72.3	51%	0.51	38%	0.382	S	S	.	.	H	α-helix	trans	-72.1	-52	169.1	-179.2	-97.4	0	0	0	113.1	G199 A203 R204 E205 T306	G199-Y201 CarbonylContact O-C 3.46Å; G199-Y201 PolarHBondContact O-N 3.31Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.34Å; Y201-R204 PolarHBondContact O-N 3.32Å; Y201-E205 PolarHBondContact O-N 2.68Å; Y201-T306 HydrophobicContact CE2-CG2 4.2Å; Y201-T306 WeakPolarHBondContact OH-CG2 3.36Å
202	I	78.9	Confident	68.7	Low	31 Å²	31	69.8 Å²	69.8	16%	0.159	37%	0.367	C	S	.	.	H	α-helix	trans	-59.6	-44.3	178.2	-70.7	177.2	0	0	0	110.3	G199 R204 E205 E206 R384	G199-I202 PolarHBondContact O-N 3.27Å; I202-R204 VanDerWaalsContact C-N 3.32Å; I202-R204 PolarHBondContact O-N 3.4Å; I202-E205 PolarHBondContact O-N 3.4Å; I202-E206 WeakPolarHBondContact O-CG 3.23Å; I202-E206 PolarHBondContact O-N 2.75Å; I202-R384 VanDerWaalsContact CG2-NH2 3.33Å
203	A	80.8	Confident	71.4	Confident	55 Å²	55	73.8 Å²	73.8	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-38	178.1	0	0	0	0	0	112.9	G199 Y201 A207	G199-A203 PolarHBondContact O-N 3.45Å; Y201-A203 VanDerWaalsContact C-N 3.32Å; Y201-A203 PolarHBondContact O-N 3.34Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.44Å
204	R	84.1	Confident	74.3	Confident	104 Å²	104	71.2 Å²	71.2	39%	0.392	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-46.4	174.4	-87.1	178.4	-82.5	-176.6	-8	111.9	A200 Y201 I202 E206 A207 L208 V301	A200-R204 WeakPolarHBondContact O-CG 3.48Å; A200-R204 PolarHBondContact O-N 3.17Å; A200-R204 PolarHBondContact O-NE 2.6Å; Y201-R204 PolarHBondContact O-N 3.32Å; I202-R204 VanDerWaalsContact C-N 3.32Å; I202-R204 PolarHBondContact O-N 3.4Å; R204-E206 PolarHBondContact O-N 3.48Å; R204-A207 WeakPolarHBondContact O-CB 3.38Å; R204-A207 PolarHBondContact O-N 3.14Å; R204-L208 WeakPolarHBondContact O-CG 3.46Å; R204-L208 PolarHBondContact O-N 3.31Å; R204-V301 PolarHBondContact NH1-O 3.31Å
205	E	84.9	Confident	77	Confident	15 Å²	15	68 Å²	68	7%	0.07	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-42.3	178.6	-173.4	57.7	-153	0	0	111.7	Y201 I202 L208 K209 R307	Y201-E205 PolarHBondContact O-N 2.68Å; I202-E205 PolarHBondContact O-N 3.4Å; E205-L208 PolarHBondContact O-N 3.14Å; E205-K209 WeakPolarHBondContact O-CB 3.45Å; E205-K209 PolarHBondContact O-N 2.99Å; E205-R307 VanDerWaalsContact OE1-CD 3.25Å; E205-R307 WeakPolarHBondContact OE1-CD 3.39Å; E205-R307 WeakPolarHBondContact OE1-CG 3.14Å; E205-R307 IonicContact OE1-CZ 3.35Å; E205-R307 IonicContact OE1-NE 2.72Å; E205-R307 PolarHBondContact OE1-NE 2.9Å; E205-R307 IonicContact OE2-NE 2.68Å
206	E	85.8	Confident	79.5	Confident	45 Å²	45	68.1 Å²	68.1	21%	0.21	36%	0.364	C	S	.	.	H	α-helix	trans	-66.8	-34.7	174.5	-72.4	-160.7	131.6	0	0	113.7	I202 R204 R210 R384	I202-E206 WeakPolarHBondContact O-CG 3.23Å; I202-E206 PolarHBondContact O-N 2.75Å; R204-E206 PolarHBondContact O-N 3.48Å; E206-R210 WeakPolarHBondContact O-CB 3.05Å; E206-R210 PolarHBondContact O-N 2.73Å; E206-R384 VanDerWaalsContact CD-NH2 3.34Å; E206-R384 IonicContact OE1-CZ 3.39Å; E206-R384 VanDerWaalsContact OE1-CZ 3.24Å; E206-R384 IonicContact OE1-NE 3.97Å; E206-R384 IonicContact OE1-NH1 3.52Å; E206-R384 PolarHBondContact OE1-NH1 3.44Å; E206-R384 IonicContact OE1-NH2 3.8Å; E206-R384 IonicContact OE2-CZ 3.38Å; E206-R384 IonicContact OE2-NH1 3.69Å; E206-R384 PolarHBondContact OE2-NH1 3.04Å; E206-R384 IonicContact OE2-NH2 3.95Å; E206-R384 PolarHBondContact OE2-NH2 2.88Å
207	A	89.1	Confident	82.1	Confident	40 Å²	40	60.6 Å²	60.6	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-50	173.8	0	0	0	0	0	110.7	A203 R204 K209 R210 E211	A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.44Å; R204-A207 WeakPolarHBondContact O-CB 3.38Å; R204-A207 PolarHBondContact O-N 3.14Å; A207-K209 PolarHBondContact O-N 3.27Å; A207-R210 WeakPolarHBondContact O-CB 3.5Å; A207-R210 PolarHBondContact O-N 3Å; A207-E211 WeakPolarHBondContact O-CG 3.36Å; A207-E211 PolarHBondContact O-N 3.38Å
208	L	91.4	Very high	84.7	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-39	177.4	-65.1	175.5	0	0	0	112.4	R204 E205 R210 E211 E212 L217 Y304 R307	R204-L208 WeakPolarHBondContact O-CG 3.46Å; R204-L208 PolarHBondContact O-N 3.31Å; E205-L208 PolarHBondContact O-N 3.14Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.91Å; L208-E211 PolarHBondContact O-N 3.02Å; L208-E212 PolarHBondContact O-N 3.46Å; L208-L217 HydrophobicContact CD2-CD1 3.82Å; L208-Y304 HydrophobicContact CD2-CD1 3.96Å; L208-Y304 HydrophobicContact CD2-CE1 3.64Å; L208-Y304 HydrophobicContact CD2-CE2 4.33Å; L208-Y304 HydrophobicContact CD2-CG 4.46Å; L208-R307 VanDerWaalsContact CB-CD 3.41Å; L208-R307 HydrophobicContact CD1-CB 4.35Å; L208-R307 PolarHBondContact O-NH1 2.86Å
209	K	90.9	Very high	86.8	Confident	45 Å²	45	63 Å²	63	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-40.8	173.7	-171.5	178.2	-179.5	-170.7	0	111.7	E205 A207 E212 Q213 R307 D378	E205-K209 WeakPolarHBondContact O-CB 3.45Å; E205-K209 PolarHBondContact O-N 2.99Å; A207-K209 PolarHBondContact O-N 3.27Å; K209-E212 PolarHBondContact O-N 2.73Å; K209-Q213 WeakPolarHBondContact O-CB 3.39Å; K209-Q213 VanDerWaalsContact O-CG 3.26Å; K209-Q213 WeakPolarHBondContact O-CG 3.39Å; K209-Q213 PolarHBondContact O-N 3.31Å; K209-R307 VanDerWaalsContact CA-CZ 3.46Å; K209-D378 VanDerWaalsContact NZ-CG 3.27Å; K209-D378 IonicContact NZ-OD1 2.56Å; K209-D378 PolarHBondContact NZ-OD1 3.09Å; K209-D378 IonicContact NZ-OD2 3.31Å
210	R	91.4	Very high	88.5	Confident	142 Å²	142	62.6 Å²	62.6	54%	0.536	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-33.7	175.3	-165.8	-177.5	-60.7	99.2	2.6	112.6	E206 A207 L208 A214	E206-R210 WeakPolarHBondContact O-CB 3.05Å; E206-R210 PolarHBondContact O-N 2.73Å; A207-R210 WeakPolarHBondContact O-CB 3.5Å; A207-R210 PolarHBondContact O-N 3Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 2.91Å; R210-A214 VanDerWaalsContact O-CB 3.26Å; R210-A214 WeakPolarHBondContact O-CB 3.31Å; R210-A214 PolarHBondContact O-N 3.43Å
211	E	92.4	Very high	89.8	Confident	39 Å²	39	61.3 Å²	61.3	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-69.9	-36.9	174.2	-65.3	-140.4	-135.4	0	0	112.9	A207 L208 A214 G215 R216 L217 R269	A207-E211 WeakPolarHBondContact O-CG 3.36Å; A207-E211 PolarHBondContact O-N 3.38Å; L208-E211 PolarHBondContact O-N 3.02Å; E211-A214 PolarHBondContact O-N 2.87Å; E211-G215 PolarHBondContact O-N 2.8Å; E211-R216 PolarHBondContact O-N 3.23Å; E211-R216 IonicContact OE2-CZ 3.38Å; E211-R216 IonicContact OE2-NE 2.71Å; E211-R216 PolarHBondContact OE2-NE 2.78Å; E211-R216 IonicContact OE2-NH2 3.13Å; E211-L217 HydrophobicContact CB-CD1 3.69Å; E211-L217 HydrophobicContact CB-CG 3.89Å; E211-L217 PolarHBondContact O-N 3.34Å; E211-R269 IonicContact OE2-NH2 3.26Å
212	E	93.1	Very high	90.8	Very high	55 Å²	55	57.1 Å²	57.1	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-47	172.3	179.6	-174.7	-154.5	0	0	111.9	L208 K209 A214 G215 L217 F219 R307 H311	L208-E212 PolarHBondContact O-N 3.46Å; K209-E212 PolarHBondContact O-N 2.73Å; E212-A214 PolarHBondContact O-N 2.68Å; E212-G215 WeakPolarHBondContact O-CA 3.47Å; E212-G215 PolarHBondContact O-N 2.88Å; E212-L217 WeakPolarHBondContact CA-O 3.4Å; E212-L217 HydrophobicContact CB-CB 4.36Å; E212-F219 HydrophobicContact CG-CD2 4.49Å; E212-R307 IonicContact OE2-CZ 3.36Å; E212-R307 IonicContact OE2-NH1 3.16Å; E212-R307 PolarHBondContact OE2-NH1 2.8Å; E212-R307 IonicContact OE2-NH2 2.69Å; E212-R307 PolarHBondContact OE2-NH2 3.22Å; E212-H311 IonicContact OE1-CE1 3.46Å; E212-H311 PolarHBondContact OE1-CE1 3.01Å; E212-H311 IonicContact OE1-NE2 3.26Å; E212-H311 IonicContact OE2-CE1 2.69Å; E212-H311 IonicContact OE2-NE2 3.52Å
213	Q	91.7	Very high	91.7	Very high	141 Å²	141	57.2 Å²	57.2	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-60.2	-30.4	175.1	-73.7	173.3	-19.6	0	0	112.6	K209 G215	K209-Q213 WeakPolarHBondContact O-CB 3.39Å; K209-Q213 VanDerWaalsContact O-CG 3.26Å; K209-Q213 WeakPolarHBondContact O-CG 3.39Å; K209-Q213 PolarHBondContact O-N 3.31Å; Q213-G215 VanDerWaalsContact C-N 3.26Å; Q213-G215 PolarHBondContact O-N 2.95Å
214	A	93.8	Very high	92.4	Very high	56 Å²	56	56 Å²	56	46%	0.463	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.9	172.6	0	0	0	0	0	113.9	R210 E211 E212 R216	R210-A214 VanDerWaalsContact O-CB 3.26Å; R210-A214 WeakPolarHBondContact O-CB 3.31Å; R210-A214 PolarHBondContact O-N 3.43Å; E211-A214 PolarHBondContact O-N 2.87Å; E212-A214 PolarHBondContact O-N 2.68Å; A214-R216 PolarHBondContact O-N 2.82Å; A214-R216 VanDerWaalsContact O-N 3.16Å
215	G	91.7	Very high	93	Very high	44 Å²	44	54.2 Å²	54.2	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	5.8	178.5	0	0	0	0	0	115.7	E211 E212 Q213	E211-G215 PolarHBondContact O-N 2.8Å; E212-G215 WeakPolarHBondContact O-CA 3.47Å; E212-G215 PolarHBondContact O-N 2.88Å; Q213-G215 VanDerWaalsContact C-N 3.26Å; Q213-G215 PolarHBondContact O-N 2.95Å
216	R	92.6	Very high	93.3	Very high	124 Å²	124	57.2 Å²	57.2	47%	0.468	30%	0.301	S	S	.	.	S	Bend	trans	-74.8	-32.6	178.2	-70.6	-168.1	-65.5	-83.7	2.3	112.2	E211 A214 R269 G270	E211-R216 PolarHBondContact O-N 3.23Å; E211-R216 IonicContact OE2-CZ 3.38Å; E211-R216 IonicContact OE2-NE 2.71Å; E211-R216 PolarHBondContact OE2-NE 2.78Å; E211-R216 IonicContact OE2-NH2 3.13Å; A214-R216 PolarHBondContact O-N 2.82Å; A214-R216 VanDerWaalsContact O-N 3.16Å; R216-R269 WeakPolarHBondContact O-CA 3.39Å; R216-G270 PolarHBondContact O-N 2.94Å
217	L	94	Very high	93.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.5	171.1	-61.9	177.1	0	0	0	109.8	L208 E211 E212 V267 L268 R269 Y304	L208-L217 HydrophobicContact CD2-CD1 3.82Å; E211-L217 HydrophobicContact CB-CD1 3.69Å; E211-L217 HydrophobicContact CB-CG 3.89Å; E211-L217 PolarHBondContact O-N 3.34Å; E212-L217 WeakPolarHBondContact CA-O 3.4Å; E212-L217 HydrophobicContact CB-CB 4.36Å; L217-V267 HydrophobicContact CD2-CG2 4.38Å; L217-L268 CarbonylContact C-O 3.42Å; L217-L268 WeakPolarHBondContact CA-O 3.24Å; L217-R269 HydrophobicContact CD2-CB 3.97Å; L217-R269 HydrophobicContact CD2-CG 3.96Å; L217-Y304 HydrophobicContact CD1-CD1 4.41Å; L217-Y304 HydrophobicContact CD1-CE1 3.6Å; L217-Y304 HydrophobicContact CD2-CE1 3.72Å; L217-Y304 HydrophobicContact CG-CE1 4.32Å
218	K	95.4	Very high	94.1	Very high	120 Å²	120	63.3 Å²	63.3	52%	0.522	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.3	171.5	-63.2	179.8	-179.5	177.6	0	109.4	V220 L268	K218-V220 HydrophobicContact CB-CG1 4.47Å; K218-L268 HydrophobicContact CB-CB 4.44Å; K218-L268 PolarHBondContact N-O 3.28Å; K218-L268 PolarHBondContact O-N 2.99Å
219	F	96	Very high	94.3	Very high	31 Å²	31	68.3 Å²	68.3	14%	0.136	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.1	169.7	-67.8	-93.4	0	0	0	108.8	E212 M266 V267 R307 L308 H311	E212-F219 HydrophobicContact CG-CD2 4.49Å; F219-M266 WeakPolarHBondContact CA-O 3.36Å; F219-V267 HydrophobicContact CD1-CB 4Å; F219-V267 HydrophobicContact CD1-CG2 4.45Å; F219-V267 HydrophobicContact CE1-CB 3.66Å; F219-V267 HydrophobicContact CE1-CG2 3.91Å; F219-V267 HydrophobicContact CE2-CG2 4.42Å; F219-V267 HydrophobicContact CZ-CB 4.17Å; F219-V267 HydrophobicContact CZ-CG2 3.89Å; F219-R307 HydrophobicContact CE1-CG 4.45Å; F219-R307 HydrophobicContact CE2-CG 4.26Å; F219-R307 HydrophobicContact CZ-CB 4.1Å; F219-R307 HydrophobicContact CZ-CG 3.78Å; F219-L308 HydrophobicContact CD1-CD1 4.02Å; F219-L308 HydrophobicContact CE1-CB 4.15Å; F219-L308 HydrophobicContact CE1-CD1 4.18Å; F219-H311 HydrophobicContact CB-CB 4.29Å; F219-H311 HydrophobicContact CD1-CB 4.13Å; F219-H311 AromaticContact CD1-CD2 3.61Å; F219-H311 AromaticContact CD1-CG 3.82Å; F219-H311 AromaticContact CD2-CD2 3.67Å; F219-H311 AromaticContact CD2-CE1 3.69Å; F219-H311 AromaticContact CD2-NE2 3.36Å; F219-H311 WeakPolarHBondContact CD2-NE2 3.41Å; F219-H311 AromaticContact CE1-CD2 3.89Å; F219-H311 AromaticContact CE2-CD2 3.97Å; F219-H311 AromaticContact CE2-NE2 3.72Å; F219-H311 HydrophobicContact CG-CB 4.33Å; F219-H311 AromaticContact CG-CD2 3.49Å; F219-H311 VanDerWaalsContact CG-CD2 3.49Å; F219-H311 WeakPolarHBondContact CG-CD2 3.27Å; F219-H311 AromaticContact CG-CE1 3.79Å; F219-H311 AromaticContact CG-CG 3.64Å; F219-H311 AromaticContact CG-ND1 3.82Å; F219-H311 AromaticContact CG-NE2 3.64Å
220	V	96.1	Very high	94.5	Very high	25 Å²	25	67.5 Å²	67.5	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.8	-175.2	-60.1	0	0	0	0	110.1	K218 Y222 V265 M266 L268	K218-V220 HydrophobicContact CB-CG1 4.47Å; V220-Y222 HydrophobicContact CB-CD1 4.37Å; V220-Y222 HydrophobicContact CB-CE1 3.86Å; V220-Y222 HydrophobicContact CB-CE2 4.13Å; V220-Y222 HydrophobicContact CG1-CE1 4.42Å; V220-Y222 HydrophobicContact CG2-CD2 3.97Å; V220-Y222 HydrophobicContact CG2-CE1 4.27Å; V220-Y222 HydrophobicContact CG2-CE2 3.67Å; V220-Y222 HydrophobicContact CG2-CG 4.41Å; V220-V265 CarbonylContact O-C 3.51Å; V220-V265 VanDerWaalsContact O-CA 3.29Å; V220-V265 WeakPolarHBondContact O-CA 3.22Å; V220-M266 HydrophobicContact CG2-CB 4Å; V220-M266 HydrophobicContact CG2-CE 4.29Å; V220-M266 PolarHBondContact N-O 3.27Å; V220-M266 PolarHBondContact O-N 2.97Å; V220-L268 HydrophobicContact CG1-CD1 4.24Å; V220-L268 HydrophobicContact CG2-CD1 3.82Å; V220-L268 HydrophobicContact CG2-CG 4.04Å
221	C	97.2	Very high	94.7	Very high	37 Å²	37	63.2 Å²	63.2	25%	0.25	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108.7	173.2	-174.9	0	0	0	0	109.5	S264 V265 H315	C221-S264 WeakPolarHBondContact CA-O 3.44Å; C221-V265 HydrophobicContact CB-CG2 4.12Å; C221-H315 PolarHBondContact SG-NE2 3.35Å; C221-H315 VanDerWaalsContact SG-NE2 3.43Å
222	Y	96.5	Very high	94.8	Very high	41 Å²	41	67.5 Å²	67.5	16%	0.161	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.9	-178.2	-58.6	-28.5	0	0	0	111.5	V220 H230 C233 S264 M266	V220-Y222 HydrophobicContact CB-CD1 4.37Å; V220-Y222 HydrophobicContact CB-CE1 3.86Å; V220-Y222 HydrophobicContact CB-CE2 4.13Å; V220-Y222 HydrophobicContact CG1-CE1 4.42Å; V220-Y222 HydrophobicContact CG2-CD2 3.97Å; V220-Y222 HydrophobicContact CG2-CE1 4.27Å; V220-Y222 HydrophobicContact CG2-CE2 3.67Å; V220-Y222 HydrophobicContact CG2-CG 4.41Å; Y222-H230 AromaticContact CD1-CD2 3.53Å; Y222-H230 AromaticContact CD1-CE1 3.82Å; Y222-H230 AromaticContact CD1-CG 3.92Å; Y222-H230 AromaticContact CD1-NE2 3.48Å; Y222-H230 WeakPolarHBondContact CD1-NE2 3.12Å; Y222-H230 HydrophobicContact CD2-CB 4.15Å; Y222-H230 AromaticContact CD2-CD2 3.55Å; Y222-H230 AromaticContact CD2-CG 3.93Å; Y222-H230 AromaticContact CE1-CD2 3.51Å; Y222-H230 AromaticContact CE1-NE2 3.27Å; Y222-H230 VanDerWaalsContact CE1-NE2 3.27Å; Y222-H230 WeakPolarHBondContact CE1-NE2 3.29Å; Y222-H230 AromaticContact CE2-CD2 3.5Å; Y222-H230 HydrophobicContact CG-CB 4.14Å; Y222-H230 AromaticContact CG-CD2 3.57Å; Y222-H230 AromaticContact CG-CG 3.71Å; Y222-H230 AromaticContact CZ-CD2 3.49Å; Y222-H230 VanDerWaalsContact CZ-CD2 3.49Å; Y222-H230 AromaticContact CZ-NE2 3.62Å; Y222-C233 HydrophobicContact CD2-CB 3.96Å; Y222-C233 HydrophobicContact CE2-CB 4.26Å; Y222-S264 PolarHBondContact N-O 3.45Å; Y222-S264 PolarHBondContact O-N 3.48Å; Y222-M266 HydrophobicContact CD2-CE 3.54Å; Y222-M266 HydrophobicContact CG-CE 3.96Å
223	S	96.3	Very high	95	Very high	33 Å²	33	65.5 Å²	65.5	23%	0.231	35%	0.348	C	S	.	.			trans	-136.5	177.7	173.3	62.9	0	0	0	0	109.6	D225 H262	S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.13Å; S223-H262 WeakPolarHBondContact CB-O 3.31Å
224	N	96.2	Very high	95.2	Very high	29 Å²	29	58.8 Å²	58.8	16%	0.155	32%	0.317	C	S	.	.	S	Bend	trans	-77.4	74.9	176.4	-176.9	10	0	0	0	111.8	M231 L234 M258 R260	N224-M231 VanDerWaalsContact OD1-CE 3.24Å; N224-M231 WeakPolarHBondContact OD1-CE 3.25Å; N224-L234 HydrophobicContact CB-CD1 4.47Å; N224-M258 WeakPolarHBondContact CB-O 3.32Å; N224-M258 PolarHBondContact ND2-O 3.43Å; N224-R260 HydrophobicContact CB-CG 4.39Å; N224-R260 WeakPolarHBondContact O-CG 3.28Å; N224-R260 PolarHBondContact O-NE 2.71Å; N224-R260 VanDerWaalsContact O-NE 3.16Å
225	D	95.7	Very high	95.3	Very high	68 Å²	68	59.9 Å²	59.9	36%	0.364	31%	0.314	S	S	.	.	S	Bend	trans	-95.4	7.2	179.2	60.4	7.2	0	0	0	114	S223 I227 H230	S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.13Å; D225-I227 VanDerWaalsContact C-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.45Å; D225-I227 PolarHBondContact OD1-N 3.1Å; D225-I227 VanDerWaalsContact OD1-N 3.09Å; D225-H230 VanDerWaalsContact CG-ND1 3.31Å; D225-H230 IonicContact OD1-CG 3.36Å; D225-H230 IonicContact OD1-ND1 2.77Å; D225-H230 PolarHBondContact OD1-ND1 3.28Å; D225-H230 VanDerWaalsContact OD1-ND1 3.16Å; D225-H230 IonicContact OD2-CE1 2.69Å; D225-H230 PolarHBondContact OD2-CE1 3.08Å; D225-H230 VanDerWaalsContact OD2-CE1 3.28Å; D225-H230 IonicContact OD2-CG 3.39Å; D225-H230 IonicContact OD2-ND1 3.65Å; D225-H230 PolarHBondContact OD2-ND1 3.3Å
226	S	92.7	Very high	95.6	Very high	78 Å²	78	58.9 Å²	58.9	55%	0.545	30%	0.304	S	S	.	.	S	Bend	trans	66.9	22.9	-177.1	-55.8	0	0	0	0	115.2	R260	S226-R260 PolarHBondContact OG-NH2 3.12Å; S226-R260 VanDerWaalsContact OG-NH2 3.11Å
227	I	96.5	Very high	95.8	Very high	83 Å²	83	53 Å²	53	43%	0.426	28%	0.282	S	S	.	.			trans	-89.2	128.5	166.1	-61.9	177.4	0	0	0	110	D225 E229 H230 M231	D225-I227 VanDerWaalsContact C-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.45Å; D225-I227 PolarHBondContact OD1-N 3.1Å; D225-I227 VanDerWaalsContact OD1-N 3.09Å; I227-E229 HydrophobicContact CG2-CB 4.43Å; I227-E229 PolarHBondContact O-N 2.87Å; I227-H230 HydrophobicContact CB-CB 4.25Å; I227-H230 PolarHBondContact O-N 2.97Å; I227-M231 PolarHBondContact O-N 3.18Å
228	D	95.3	Very high	95.9	Very high	130 Å²	130	55.9 Å²	55.9	70%	0.695	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-40	-174.9	-72.1	-17.1	0	0	0	113.5	H230 M231 M232	D228-H230 PolarHBondContact O-N 3.21Å; D228-M231 PolarHBondContact O-N 3.09Å; D228-M232 WeakPolarHBondContact O-CG 3.42Å; D228-M232 PolarHBondContact O-N 2.9Å
229	E	94.5	Very high	95.9	Very high	112 Å²	112	53.6 Å²	53.6	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-42.8	177	-173.3	178.1	167.1	0	0	111.9	I227 M232 C233	I227-E229 HydrophobicContact CG2-CB 4.43Å; I227-E229 PolarHBondContact O-N 2.87Å; E229-M232 PolarHBondContact O-N 2.78Å; E229-C233 PolarHBondContact O-N 3.41Å; E229-C233 PolarHBondContact O-SG 3.21Å
230	H	95.9	Very high	95.9	Very high	29 Å²	29	52.2 Å²	52.2	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-42.4	176.6	-61.9	175	0	0	0	110.6	Y222 D225 I227 D228 M232 C233 L234	Y222-H230 AromaticContact CD1-CD2 3.53Å; Y222-H230 AromaticContact CD1-CE1 3.82Å; Y222-H230 AromaticContact CD1-CG 3.92Å; Y222-H230 AromaticContact CD1-NE2 3.48Å; Y222-H230 WeakPolarHBondContact CD1-NE2 3.12Å; Y222-H230 HydrophobicContact CD2-CB 4.15Å; Y222-H230 AromaticContact CD2-CD2 3.55Å; Y222-H230 AromaticContact CD2-CG 3.93Å; Y222-H230 AromaticContact CE1-CD2 3.51Å; Y222-H230 AromaticContact CE1-NE2 3.27Å; Y222-H230 VanDerWaalsContact CE1-NE2 3.27Å; Y222-H230 WeakPolarHBondContact CE1-NE2 3.29Å; Y222-H230 AromaticContact CE2-CD2 3.5Å; Y222-H230 HydrophobicContact CG-CB 4.14Å; Y222-H230 AromaticContact CG-CD2 3.57Å; Y222-H230 AromaticContact CG-CG 3.71Å; Y222-H230 AromaticContact CZ-CD2 3.49Å; Y222-H230 VanDerWaalsContact CZ-CD2 3.49Å; Y222-H230 AromaticContact CZ-NE2 3.62Å; D225-H230 VanDerWaalsContact CG-ND1 3.31Å; D225-H230 IonicContact OD1-CG 3.36Å; D225-H230 IonicContact OD1-ND1 2.77Å; D225-H230 PolarHBondContact OD1-ND1 3.28Å; D225-H230 VanDerWaalsContact OD1-ND1 3.16Å; D225-H230 IonicContact OD2-CE1 2.69Å; D225-H230 PolarHBondContact OD2-CE1 3.08Å; D225-H230 VanDerWaalsContact OD2-CE1 3.28Å; D225-H230 IonicContact OD2-CG 3.39Å; D225-H230 IonicContact OD2-ND1 3.65Å; D225-H230 PolarHBondContact OD2-ND1 3.3Å; I227-H230 HydrophobicContact CB-CB 4.25Å; I227-H230 PolarHBondContact O-N 2.97Å; D228-H230 PolarHBondContact O-N 3.21Å; H230-M232 PolarHBondContact O-N 3.41Å; H230-C233 WeakPolarHBondContact O-CB 3.37Å; H230-C233 PolarHBondContact O-N 3.31Å; H230-L234 VanDerWaalsContact O-CG 3.31Å; H230-L234 WeakPolarHBondContact O-CG 3.41Å; H230-L234 PolarHBondContact O-N 2.88Å
231	M	95.3	Very high	96	Very high	52 Å²	52	51 Å²	51	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-43.9	175.3	-174	58	63.6	0	0	112	N224 I227 D228 C233 L234 I235 M258	N224-M231 VanDerWaalsContact OD1-CE 3.24Å; N224-M231 WeakPolarHBondContact OD1-CE 3.25Å; I227-M231 PolarHBondContact O-N 3.18Å; D228-M231 PolarHBondContact O-N 3.09Å; M231-C233 PolarHBondContact O-N 2.86Å; M231-L234 PolarHBondContact O-N 3.16Å; M231-I235 HydrophobicContact CG-CD1 3.96Å; M231-I235 VanDerWaalsContact O-CG1 3.27Å; M231-I235 WeakPolarHBondContact O-CG1 3.11Å; M231-I235 PolarHBondContact O-N 3.15Å; M231-I235 HydrophobicContact SD-CD1 4.26Å; M231-I235 HydrophobicContact SD-CG1 4.4Å; M231-M258 HydrophobicContact CE-SD 4.2Å; M231-M258 HydrophobicContact SD-CE 3.82Å; M231-M258 HydrophobicContact SD-SD 3.75Å
232	M	94.9	Very high	95.9	Very high	129 Å²	129	50.3 Å²	50.3	64%	0.635	27%	0.271	S	S	*	.	H	α-helix	trans	-60.1	-43.5	174.2	-74.2	-170.5	-68.1	0	0	111.9	D228 E229 H230 I235 G236	D228-M232 WeakPolarHBondContact O-CG 3.42Å; D228-M232 PolarHBondContact O-N 2.9Å; E229-M232 PolarHBondContact O-N 2.78Å; H230-M232 PolarHBondContact O-N 3.41Å; M232-I235 PolarHBondContact O-N 2.57Å; M232-G236 PolarHBondContact O-N 3.2Å
233	C	96.5	Very high	95.8	Very high	12 Å²	12	56 Å²	56	8%	0.081	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-44.1	176	-65	0	0	0	0	112	Y222 E229 H230 M231 I235 G236 L237 M266 V273	Y222-C233 HydrophobicContact CD2-CB 3.96Å; Y222-C233 HydrophobicContact CE2-CB 4.26Å; E229-C233 PolarHBondContact O-N 3.41Å; E229-C233 PolarHBondContact O-SG 3.21Å; H230-C233 WeakPolarHBondContact O-CB 3.37Å; H230-C233 PolarHBondContact O-N 3.31Å; M231-C233 PolarHBondContact O-N 2.86Å; C233-I235 PolarHBondContact O-N 2.69Å; C233-G236 PolarHBondContact O-N 3.35Å; C233-L237 PolarHBondContact O-N 2.68Å; C233-M266 HydrophobicContact CB-CE 3.81Å; C233-M266 HydrophobicContact CB-SD 4.01Å; C233-V273 HydrophobicContact CB-CG2 4.5Å
234	L	97	Very high	95.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-39	176.4	-67.7	170.4	0	0	0	111.9	N224 H230 M231 G236 L237 K238 L257 M258 M266	N224-L234 HydrophobicContact CB-CD1 4.47Å; H230-L234 VanDerWaalsContact O-CG 3.31Å; H230-L234 WeakPolarHBondContact O-CG 3.41Å; H230-L234 PolarHBondContact O-N 2.88Å; M231-L234 PolarHBondContact O-N 3.16Å; L234-G236 VanDerWaalsContact C-N 3.34Å; L234-L237 PolarHBondContact O-N 3.26Å; L234-K238 WeakPolarHBondContact O-CB 3.33Å; L234-K238 PolarHBondContact O-N 2.69Å; L234-L257 HydrophobicContact CB-CG 4.5Å; L234-L257 HydrophobicContact CD2-CD1 3.79Å; L234-L257 HydrophobicContact CD2-CG 4.11Å; L234-L257 WeakPolarHBondContact O-CD2 3.11Å; L234-M258 HydrophobicContact CB-CE 3.99Å; L234-M258 HydrophobicContact CB-SD 4.33Å; L234-M258 HydrophobicContact CD1-SD 4.41Å; L234-M266 HydrophobicContact CD2-CE 4.45Å
235	I	95.9	Very high	95.5	Very high	78 Å²	78	54.4 Å²	54.4	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-39.3	173.4	-68.5	165.5	0	0	0	111	M231 M232 C233 K238 N239 M258	M231-I235 HydrophobicContact CG-CD1 3.96Å; M231-I235 VanDerWaalsContact O-CG1 3.27Å; M231-I235 WeakPolarHBondContact O-CG1 3.11Å; M231-I235 PolarHBondContact O-N 3.15Å; M231-I235 HydrophobicContact SD-CD1 4.26Å; M231-I235 HydrophobicContact SD-CG1 4.4Å; M232-I235 PolarHBondContact O-N 2.57Å; C233-I235 PolarHBondContact O-N 2.69Å; I235-K238 WeakPolarHBondContact O-CB 3.35Å; I235-N239 PolarHBondContact O-N 3.02Å; I235-N239 PolarHBondContact O-ND2 3.34Å; I235-M258 HydrophobicContact CG1-CE 3.95Å
236	G	96.2	Very high	95.2	Very high	23 Å²	23	55 Å²	55	24%	0.237	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-50.2	171.5	0	0	0	0	0	111.9	M232 C233 L234 N239 I240	M232-G236 PolarHBondContact O-N 3.2Å; C233-G236 PolarHBondContact O-N 3.35Å; L234-G236 VanDerWaalsContact C-N 3.34Å; G236-N239 WeakPolarHBondContact O-CB 3.2Å; G236-N239 PolarHBondContact O-N 3.03Å; G236-N239 VanDerWaalsContact O-N 3.16Å; G236-I240 PolarHBondContact O-N 3.43Å
237	L	97	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-41.2	179.5	-177.2	60.3	0	0	0	112.7	C233 L234 N239 I240 F241 L257 M266 V273	C233-L237 PolarHBondContact O-N 2.68Å; L234-L237 PolarHBondContact O-N 3.26Å; L237-N239 PolarHBondContact O-N 3.31Å; L237-I240 HydrophobicContact CD1-CD1 4.37Å; L237-I240 WeakPolarHBondContact O-CA 3.33Å; L237-I240 WeakPolarHBondContact O-CB 3.49Å; L237-I240 PolarHBondContact O-N 3.26Å; L237-F241 HydrophobicContact CD1-CD2 4.32Å; L237-F241 HydrophobicContact CD1-CE1 4.05Å; L237-F241 HydrophobicContact CD1-CE2 3.82Å; L237-F241 HydrophobicContact CD1-CZ 3.65Å; L237-F241 HydrophobicContact CD2-CD2 4.48Å; L237-F241 HydrophobicContact CD2-CE2 3.54Å; L237-F241 HydrophobicContact CD2-CZ 3.78Å; L237-F241 HydrophobicContact CG-CD2 3.9Å; L237-F241 HydrophobicContact CG-CE2 3.38Å; L237-F241 HydrophobicContact CG-CZ 3.74Å; L237-F241 PolarHBondContact O-N 3.31Å; L237-L257 HydrophobicContact CB-CD2 4.48Å; L237-L257 HydrophobicContact CD2-CD1 3.99Å; L237-M266 HydrophobicContact CB-SD 3.93Å; L237-M266 HydrophobicContact CD2-CG 3.73Å; L237-M266 HydrophobicContact CD2-SD 3.83Å; L237-M266 HydrophobicContact CG-SD 4.42Å; L237-V273 HydrophobicContact CB-CG1 4.22Å; L237-V273 HydrophobicContact CD1-CG1 4.35Å
238	K	96.5	Very high	94.7	Very high	63 Å²	63	51.7 Å²	51.7	27%	0.274	26%	0.264	S	S	.	.	H	α-helix	trans	-50.5	-45.9	171.3	177	-134.8	163.5	-169.8	0	111.3	L234 I235 I240 F241 A242 V254 L257	L234-K238 WeakPolarHBondContact O-CB 3.33Å; L234-K238 PolarHBondContact O-N 2.69Å; I235-K238 WeakPolarHBondContact O-CB 3.35Å; K238-I240 PolarHBondContact O-N 3.49Å; K238-F241 PolarHBondContact O-N 2.82Å; K238-A242 VanDerWaalsContact O-CB 3.27Å; K238-A242 WeakPolarHBondContact O-CB 3.33Å; K238-A242 PolarHBondContact O-N 3.47Å; K238-V254 HydrophobicContact CD-CG2 3.79Å; K238-V254 VanDerWaalsContact CE-CG2 3.46Å; K238-V254 HydrophobicContact CG-CG2 3.74Å; K238-L257 HydrophobicContact CB-CD2 3.67Å
239	N	95.8	Very high	94.6	Very high	71 Å²	71	48.5 Å²	48.5	38%	0.38	25%	0.251	S	S	.	.	H	α-helix	trans	-71.1	-19.2	-179	-65.7	-23.8	0	0	0	112.6	I235 G236 L237 R243	I235-N239 PolarHBondContact O-N 3.02Å; I235-N239 PolarHBondContact O-ND2 3.34Å; G236-N239 WeakPolarHBondContact O-CB 3.2Å; G236-N239 PolarHBondContact O-N 3.03Å; G236-N239 VanDerWaalsContact O-N 3.16Å; L237-N239 PolarHBondContact O-N 3.31Å; N239-R243 WeakPolarHBondContact O-CG 3.2Å; N239-R243 PolarHBondContact O-NE 3.28Å
240	I	96.7	Very high	94.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-77.7	-54.9	169.3	-57.5	171.6	0	0	0	109.3	G236 L237 K238 A242 R243 Q244 V273 A294 T296	G236-I240 PolarHBondContact O-N 3.43Å; L237-I240 HydrophobicContact CD1-CD1 4.37Å; L237-I240 WeakPolarHBondContact O-CA 3.33Å; L237-I240 WeakPolarHBondContact O-CB 3.49Å; L237-I240 PolarHBondContact O-N 3.26Å; K238-I240 PolarHBondContact O-N 3.49Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 3.16Å; I240-R243 PolarHBondContact O-N 2.92Å; I240-Q244 HydrophobicContact CG2-CG 3.86Å; I240-Q244 WeakPolarHBondContact O-CG 3.38Å; I240-Q244 PolarHBondContact O-N 3.1Å; I240-V273 HydrophobicContact CD1-CB 3.99Å; I240-V273 HydrophobicContact CD1-CG1 3.64Å; I240-V273 WeakPolarHBondContact CD1-O 3.42Å; I240-A294 HydrophobicContact CG2-CB 4.15Å; I240-T296 HydrophobicContact CD1-CG2 3.79Å; I240-T296 HydrophobicContact CG1-CG2 3.84Å; I240-T296 HydrophobicContact CG2-CG2 4.18Å
241	F	96.9	Very high	94.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-45.6	178.8	-67.5	-38.4	0	0	0	112.4	L237 K238 R243 Q244 L245 I253 L257 G276 T278 F292 A294	L237-F241 HydrophobicContact CD1-CD2 4.32Å; L237-F241 HydrophobicContact CD1-CE1 4.05Å; L237-F241 HydrophobicContact CD1-CE2 3.82Å; L237-F241 HydrophobicContact CD1-CZ 3.65Å; L237-F241 HydrophobicContact CD2-CD2 4.48Å; L237-F241 HydrophobicContact CD2-CE2 3.54Å; L237-F241 HydrophobicContact CD2-CZ 3.78Å; L237-F241 HydrophobicContact CG-CD2 3.9Å; L237-F241 HydrophobicContact CG-CE2 3.38Å; L237-F241 HydrophobicContact CG-CZ 3.74Å; L237-F241 PolarHBondContact O-N 3.31Å; K238-F241 PolarHBondContact O-N 2.82Å; F241-R243 PolarHBondContact O-N 3.35Å; F241-Q244 PolarHBondContact O-N 3.29Å; F241-L245 HydrophobicContact CB-CD1 4.11Å; F241-L245 HydrophobicContact CD1-CD1 3.97Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 WeakPolarHBondContact O-CA 3.05Å; F241-L245 VanDerWaalsContact O-CB 3.26Å; F241-L245 WeakPolarHBondContact O-CB 3.31Å; F241-L245 PolarHBondContact O-N 3.39Å; F241-I253 HydrophobicContact CB-CD1 4.19Å; F241-I253 HydrophobicContact CB-CG2 3.68Å; F241-I253 HydrophobicContact CD2-CG2 4.14Å; F241-I253 HydrophobicContact CG-CG2 4.39Å; F241-L257 HydrophobicContact CD2-CD2 4.46Å; F241-L257 HydrophobicContact CE2-CD1 4.2Å; F241-G276 WeakPolarHBondContact CE1-O 3.38Å; F241-T278 VanDerWaalsContact CE2-OG1 3.25Å; F241-T278 WeakPolarHBondContact CE2-OG1 3.38Å; F241-F292 HydrophobicContact CD1-CB 3.79Å; F241-F292 HydrophobicContact CD2-CB 4.06Å; F241-F292 AromaticContact CD2-CD2 4Å; F241-F292 HydrophobicContact CD2-CD2 4Å; F241-F292 HydrophobicContact CD2-CG 4.27Å; F241-F292 HydrophobicContact CE1-CB 3.52Å; F241-F292 HydrophobicContact CE2-CB 3.77Å; F241-F292 HydrophobicContact CE2-CD2 4Å; F241-F292 HydrophobicContact CE2-CG 4.3Å; F241-F292 HydrophobicContact CG-CB 4.08Å; F241-F292 HydrophobicContact CG-CG 4.42Å; F241-F292 HydrophobicContact CZ-CB 3.51Å; F241-F292 HydrophobicContact CZ-CG 4.49Å; F241-A294 HydrophobicContact CD1-CB 3.65Å; F241-A294 HydrophobicContact CE1-CB 3.85Å
242	A	95.6	Very high	94.6	Very high	22 Å²	22	53.9 Å²	53.9	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-9.7	178.7	0	0	0	0	0	114.8	K238 I240 K250 I253	K238-A242 VanDerWaalsContact O-CB 3.27Å; K238-A242 WeakPolarHBondContact O-CB 3.33Å; K238-A242 PolarHBondContact O-N 3.47Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 3.16Å; A242-K250 HydrophobicContact CB-CG 4.23Å; A242-I253 HydrophobicContact CB-CD1 4.33Å
243	R	95.1	Very high	94.7	Very high	160 Å²	160	47.7 Å²	47.7	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-104	-38	172.4	-73.8	-176.7	-68.5	162.6	1	112.8	N239 I240 F241	N239-R243 WeakPolarHBondContact O-CG 3.2Å; N239-R243 PolarHBondContact O-NE 3.28Å; I240-R243 PolarHBondContact O-N 2.92Å; F241-R243 PolarHBondContact O-N 3.35Å
244	Q	94	Very high	94.7	Very high	19 Å²	19	49.6 Å²	49.6	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-90	-12.9	-176.4	-56.9	-60.6	-85.4	0	0	113.2	S27 A28 I240 F241 P246 A294 I295	S27-Q244 CarbonylContact C-O 3.6Å; S27-Q244 VanDerWaalsContact C-O 3.28Å; S27-Q244 WeakPolarHBondContact CA-O 3.17Å; S27-Q244 VanDerWaalsContact CB-O 3.25Å; S27-Q244 WeakPolarHBondContact CB-O 3.13Å; A28-Q244 PolarHBondContact N-O 3.34Å; I240-Q244 HydrophobicContact CG2-CG 3.86Å; I240-Q244 WeakPolarHBondContact O-CG 3.38Å; I240-Q244 PolarHBondContact O-N 3.1Å; F241-Q244 PolarHBondContact O-N 3.29Å; Q244-P246 VanDerWaalsContact C-CD 3.42Å; Q244-P246 WeakPolarHBondContact O-CD 3.16Å; Q244-A294 HydrophobicContact CB-CB 3.81Å; Q244-A294 HydrophobicContact CG-CB 4.18Å; Q244-I295 PolarHBondContact OE1-O 3.33Å; Q244-I295 VanDerWaalsContact OE1-O 3.07Å
245	L	92	Very high	94.6	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.052	28%	0.276	C	S	.	.			trans	-122	62.1	176.6	-49.8	176.9	0	0	0	110.3	A28 F241 N247 M248 F292	A28-L245 HydrophobicContact CB-CD2 3.67Å; A28-L245 VanDerWaalsContact O-CA 3.32Å; A28-L245 WeakPolarHBondContact O-CA 3.47Å; A28-L245 VanDerWaalsContact O-CD2 3.24Å; A28-L245 WeakPolarHBondContact O-CD2 3.34Å; F241-L245 HydrophobicContact CB-CD1 4.11Å; F241-L245 HydrophobicContact CD1-CD1 3.97Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 WeakPolarHBondContact O-CA 3.05Å; F241-L245 VanDerWaalsContact O-CB 3.26Å; F241-L245 WeakPolarHBondContact O-CB 3.31Å; F241-L245 PolarHBondContact O-N 3.39Å; L245-N247 PolarHBondContact O-N 2.77Å; L245-N247 VanDerWaalsContact O-N 3.12Å; L245-M248 HydrophobicContact CB-CB 4.06Å; L245-M248 HydrophobicContact CB-CG 4.08Å; L245-M248 PolarHBondContact O-N 2.92Å; L245-F292 HydrophobicContact CD1-CB 4.01Å; L245-F292 HydrophobicContact CD1-CD1 3.68Å; L245-F292 HydrophobicContact CD1-CG 4.11Å
246	P	90	Very high	94.6	Very high	79 Å²	79	52.3 Å²	52.3	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28	-167.7	24.4	-36.1	0	0	0	114.6	S29 Q244	S29-P246 VanDerWaalsContact OG-CD 3.32Å; S29-P246 WeakPolarHBondContact OG-CD 3.48Å; S29-P246 VanDerWaalsContact OG-CG 3.26Å; S29-P246 WeakPolarHBondContact OG-CG 3.3Å; Q244-P246 VanDerWaalsContact C-CD 3.42Å; Q244-P246 WeakPolarHBondContact O-CD 3.16Å
247	N	87.8	Confident	94.6	Very high	58 Å²	58	51.3 Å²	51.3	31%	0.31	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.4	-179.6	-54.1	-6.9	0	0	0	113.3	S29 V30 T31 L245	S29-N247 WeakPolarHBondContact CB-ND2 3.27Å; S29-N247 PolarHBondContact O-ND2 3.08Å; V30-N247 PolarHBondContact N-ND2 3.02Å; V30-N247 WeakPolarHBondContact O-CB 3.05Å; T31-N247 WeakPolarHBondContact CG2-ND2 3.42Å; T31-N247 PolarHBondContact N-ND2 3.18Å; L245-N247 PolarHBondContact O-N 2.77Å; L245-N247 VanDerWaalsContact O-N 3.12Å
248	M	90	Very high	94.6	Very high	34 Å²	34	53.3 Å²	53.3	17%	0.167	26%	0.257	C	S	.	.	S	Bend	trans	-81.1	124.7	173.3	-75.7	-70.1	176.3	0	0	109.8	L245 K250 I253 Y360	L245-M248 HydrophobicContact CB-CB 4.06Å; L245-M248 HydrophobicContact CB-CG 4.08Å; L245-M248 PolarHBondContact O-N 2.92Å; M248-K250 PolarHBondContact O-N 3.5Å; M248-I253 HydrophobicContact CB-CD1 3.9Å; M248-I253 HydrophobicContact CB-CG1 4.01Å; M248-Y360 HydrophobicContact CE-CD1 3.82Å; M248-Y360 HydrophobicContact CE-CE1 3.88Å; M248-Y360 HydrophobicContact SD-CE1 4.31Å
249	P	93.8	Very high	94.6	Very high	64 Å²	64	52.8 Å²	52.8	42%	0.416	26%	0.258	S	S	.	.			trans	-57.4	135.1	-179.8	-25.2	33.9	0	0	0	112	E251 Y252 I253	P249-E251 PolarHBondContact O-N 3.2Å; P249-Y252 WeakPolarHBondContact O-CA 3.38Å; P249-Y252 VanDerWaalsContact O-CB 3.27Å; P249-Y252 WeakPolarHBondContact O-CB 3.4Å; P249-Y252 PolarHBondContact O-N 2.96Å; P249-I253 PolarHBondContact O-N 2.88Å
250	K	94.3	Very high	94.6	Very high	127 Å²	127	57.5 Å²	57.5	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-63.6	-35.3	-173.3	-67.2	176.3	-178.4	169.6	0	111.7	A242 M248 Y252 I253 V254	A242-K250 HydrophobicContact CB-CG 4.23Å; M248-K250 PolarHBondContact O-N 3.5Å; K250-Y252 VanDerWaalsContact C-N 3.29Å; K250-I253 PolarHBondContact O-N 3.43Å; K250-V254 VanDerWaalsContact O-CG2 3.29Å; K250-V254 WeakPolarHBondContact O-CG2 3.46Å; K250-V254 PolarHBondContact O-N 3.32Å
251	E	95.6	Very high	94.6	Very high	139 Å²	139	63.8 Å²	63.8	65%	0.65	30%	0.297	S	S	*	.	H	α-helix	trans	-66.8	-33.5	175.3	-57.1	64.9	-137.9	0	0	110.7	P249 R255	P249-E251 PolarHBondContact O-N 3.2Å; E251-R255 VanDerWaalsContact O-CB 3.26Å; E251-R255 WeakPolarHBondContact O-CB 3.31Å; E251-R255 PolarHBondContact O-N 3.43Å
252	Y	95.1	Very high	94.6	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-70.7	-45.4	175.5	-176.7	-81.7	0	0	0	111.7	P249 K250 R255 L256 F292 K358 Y360	P249-Y252 WeakPolarHBondContact O-CA 3.38Å; P249-Y252 VanDerWaalsContact O-CB 3.27Å; P249-Y252 WeakPolarHBondContact O-CB 3.4Å; P249-Y252 PolarHBondContact O-N 2.96Å; K250-Y252 VanDerWaalsContact C-N 3.29Å; Y252-R255 PolarHBondContact O-N 3.26Å; Y252-L256 HydrophobicContact CD1-CD1 4.33Å; Y252-L256 HydrophobicContact CE1-CD1 3.5Å; Y252-L256 HydrophobicContact CE1-CG 4.08Å; Y252-L256 PolarHBondContact O-N 2.99Å; Y252-L256 VanDerWaalsContact O-N 3.15Å; Y252-F292 HydrophobicContact CD1-CE1 4.18Å; Y252-F292 AromaticContact CD1-CZ 3.84Å; Y252-F292 HydrophobicContact CD1-CZ 3.84Å; Y252-F292 HydrophobicContact CE1-CE1 4.03Å; Y252-F292 AromaticContact CE1-CZ 3.83Å; Y252-F292 HydrophobicContact CE1-CZ 3.83Å; Y252-K358 WeakPolarHBondContact OH-CD 3.03Å; Y252-Y360 HydrophobicContact CE1-CE1 4Å; Y252-Y360 AromaticContact CZ-CE1 3.86Å; Y252-Y360 VanDerWaalsContact OH-CE1 3.32Å; Y252-Y360 WeakPolarHBondContact OH-CE1 3.45Å; Y252-Y360 VanDerWaalsContact OH-CZ 3.27Å; Y252-Y360 PolarHBondContact OH-OH 2.87Å
253	I	96	Very high	94.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-52.8	173.8	-63.7	170	0	0	0	110.3	F241 A242 M248 P249 K250 R255 L256 L257 F292	F241-I253 HydrophobicContact CB-CD1 4.19Å; F241-I253 HydrophobicContact CB-CG2 3.68Å; F241-I253 HydrophobicContact CD2-CG2 4.14Å; F241-I253 HydrophobicContact CG-CG2 4.39Å; A242-I253 HydrophobicContact CB-CD1 4.33Å; M248-I253 HydrophobicContact CB-CD1 3.9Å; M248-I253 HydrophobicContact CB-CG1 4.01Å; P249-I253 PolarHBondContact O-N 2.88Å; K250-I253 PolarHBondContact O-N 3.43Å; I253-R255 PolarHBondContact O-N 2.92Å; I253-L256 PolarHBondContact O-N 3.26Å; I253-L257 VanDerWaalsContact O-CB 3.24Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 3.11Å; I253-F292 HydrophobicContact CB-CE2 4.38Å; I253-F292 HydrophobicContact CB-CZ 4.29Å; I253-F292 HydrophobicContact CG1-CE1 4.2Å; I253-F292 HydrophobicContact CG1-CE2 4.49Å; I253-F292 HydrophobicContact CG1-CZ 4.04Å; I253-F292 HydrophobicContact CG2-CE2 4.25Å
254	V	96.7	Very high	94.9	Very high	52 Å²	52	57.6 Å²	57.6	32%	0.315	27%	0.271	S	S	.	.	H	α-helix	trans	-57.5	-47.5	179.5	170.9	0	0	0	0	111.3	K238 K250 L256 L257 M258	K238-V254 HydrophobicContact CD-CG2 3.79Å; K238-V254 VanDerWaalsContact CE-CG2 3.46Å; K238-V254 HydrophobicContact CG-CG2 3.74Å; K250-V254 VanDerWaalsContact O-CG2 3.29Å; K250-V254 WeakPolarHBondContact O-CG2 3.46Å; K250-V254 PolarHBondContact O-N 3.32Å; V254-L256 PolarHBondContact O-N 3.25Å; V254-L257 PolarHBondContact O-N 3.03Å; V254-M258 HydrophobicContact CG1-CG 4.26Å; V254-M258 WeakPolarHBondContact O-CB 3.37Å; V254-M258 VanDerWaalsContact O-CG 3.29Å; V254-M258 WeakPolarHBondContact O-CG 3.36Å; V254-M258 PolarHBondContact O-N 2.7Å
255	R	96.6	Very high	95	Very high	130 Å²	130	56.9 Å²	56.9	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-43	-177.2	166.8	171.6	37	54.8	-0.5	113	E251 Y252 I253 D259	E251-R255 VanDerWaalsContact O-CB 3.26Å; E251-R255 WeakPolarHBondContact O-CB 3.31Å; E251-R255 PolarHBondContact O-N 3.43Å; Y252-R255 PolarHBondContact O-N 3.26Å; I253-R255 PolarHBondContact O-N 2.92Å; R255-D259 WeakPolarHBondContact O-CB 3.08Å; R255-D259 PolarHBondContact O-N 3.36Å
256	L	95.9	Very high	95.3	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-74.2	-39.7	178.1	-62.4	-165.8	0	0	0	111.7	Y252 I253 V254 M258 D259 H262 A291 F292 K358	Y252-L256 HydrophobicContact CD1-CD1 4.33Å; Y252-L256 HydrophobicContact CE1-CD1 3.5Å; Y252-L256 HydrophobicContact CE1-CG 4.08Å; Y252-L256 PolarHBondContact O-N 2.99Å; Y252-L256 VanDerWaalsContact O-N 3.15Å; I253-L256 PolarHBondContact O-N 3.26Å; V254-L256 PolarHBondContact O-N 3.25Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 3.18Å; L256-D259 PolarHBondContact O-N 3.23Å; L256-H262 WeakPolarHBondContact O-CB 3.43Å; L256-H262 PolarHBondContact O-ND1 3.39Å; L256-A291 HydrophobicContact CD1-CB 4.14Å; L256-F292 HydrophobicContact CB-CE2 3.9Å; L256-F292 HydrophobicContact CB-CZ 4.22Å; L256-F292 HydrophobicContact CD1-CE2 4.3Å; L256-F292 HydrophobicContact CD1-CZ 3.95Å; L256-F292 HydrophobicContact CG-CZ 4.38Å; L256-K358 HydrophobicContact CD1-CD 4.47Å
257	L	95.7	Very high	95.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-31.1	-179.1	-171.8	63	0	0	0	113.2	L234 L237 K238 F241 I253 V254 S264 T278	L234-L257 HydrophobicContact CB-CG 4.5Å; L234-L257 HydrophobicContact CD2-CD1 3.79Å; L234-L257 HydrophobicContact CD2-CG 4.11Å; L234-L257 WeakPolarHBondContact O-CD2 3.11Å; L237-L257 HydrophobicContact CB-CD2 4.48Å; L237-L257 HydrophobicContact CD2-CD1 3.99Å; K238-L257 HydrophobicContact CB-CD2 3.67Å; F241-L257 HydrophobicContact CD2-CD2 4.46Å; F241-L257 HydrophobicContact CE2-CD1 4.2Å; I253-L257 VanDerWaalsContact O-CB 3.24Å; I253-L257 WeakPolarHBondContact O-CB 3.49Å; I253-L257 PolarHBondContact O-N 3.11Å; V254-L257 PolarHBondContact O-N 3.03Å; L257-S264 WeakPolarHBondContact CD1-OG 3.44Å; L257-T278 HydrophobicContact CD1-CG2 4.02Å; L257-T278 WeakPolarHBondContact CD1-OG1 3.28Å
258	M	96.3	Very high	96	Very high	41 Å²	41	50.4 Å²	50.4	20%	0.202	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	0.2	177.3	-58.9	-59.6	176.5	0	0	113.4	N224 M231 L234 I235 V254 L256	N224-M258 WeakPolarHBondContact CB-O 3.32Å; N224-M258 PolarHBondContact ND2-O 3.43Å; M231-M258 HydrophobicContact CE-SD 4.2Å; M231-M258 HydrophobicContact SD-CE 3.82Å; M231-M258 HydrophobicContact SD-SD 3.75Å; L234-M258 HydrophobicContact CB-CE 3.99Å; L234-M258 HydrophobicContact CB-SD 4.33Å; L234-M258 HydrophobicContact CD1-SD 4.41Å; I235-M258 HydrophobicContact CG1-CE 3.95Å; V254-M258 HydrophobicContact CG1-CG 4.26Å; V254-M258 WeakPolarHBondContact O-CB 3.37Å; V254-M258 VanDerWaalsContact O-CG 3.29Å; V254-M258 WeakPolarHBondContact O-CG 3.36Å; V254-M258 PolarHBondContact O-N 2.7Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 3.18Å
259	D	96.5	Very high	96.2	Very high	52 Å²	52	53.6 Å²	53.6	28%	0.278	24%	0.239	S	C	.	.			trans	-75.3	125.5	173.1	177.4	-1	0	0	0	109.6	R255 L256 K261 H262	R255-D259 WeakPolarHBondContact O-CB 3.08Å; R255-D259 PolarHBondContact O-N 3.36Å; L256-D259 PolarHBondContact O-N 3.23Å; D259-K261 PolarHBondContact O-N 2.83Å; D259-K261 WeakPolarHBondContact OD1-CB 3.4Å; D259-K261 PolarHBondContact OD1-N 3.26Å; D259-H262 PolarHBondContact O-N 2.69Å; D259-H262 IonicContact OD2-CE1 2.67Å; D259-H262 PolarHBondContact OD2-CE1 2.73Å; D259-H262 IonicContact OD2-ND1 2.78Å; D259-H262 PolarHBondContact OD2-ND1 2.56Å
260	R	96	Very high	96	Very high	171 Å²	171	52.6 Å²	52.6	65%	0.645	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.8	178.9	-62.6	-166.7	162	166.1	-3.5	114	N224 S226 H262	N224-R260 HydrophobicContact CB-CG 4.39Å; N224-R260 WeakPolarHBondContact O-CG 3.28Å; N224-R260 PolarHBondContact O-NE 2.71Å; N224-R260 VanDerWaalsContact O-NE 3.16Å; S226-R260 PolarHBondContact OG-NH2 3.12Å; S226-R260 VanDerWaalsContact OG-NH2 3.11Å; R260-H262 VanDerWaalsContact C-N 3.33Å
261	K	96.3	Very high	95.6	Very high	134 Å²	134	54.3 Å²	54.3	58%	0.583	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.4	173.8	-62.7	176.8	-178.7	176.9	0	113.5	D259	D259-K261 PolarHBondContact O-N 2.83Å; D259-K261 WeakPolarHBondContact OD1-CB 3.4Å; D259-K261 PolarHBondContact OD1-N 3.26Å
262	H	97.4	Very high	95.5	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.014	25%	0.254	C	S	.	.			trans	-101.8	149.7	177.2	-63.9	71.5	0	0	0	110.7	S223 L256 D259 R260 T278 Y279	S223-H262 WeakPolarHBondContact CB-O 3.31Å; L256-H262 WeakPolarHBondContact O-CB 3.43Å; L256-H262 PolarHBondContact O-ND1 3.39Å; D259-H262 PolarHBondContact O-N 2.69Å; D259-H262 IonicContact OD2-CE1 2.67Å; D259-H262 PolarHBondContact OD2-CE1 2.73Å; D259-H262 IonicContact OD2-ND1 2.78Å; D259-H262 PolarHBondContact OD2-ND1 2.56Å; R260-H262 VanDerWaalsContact C-N 3.33Å; H262-T278 HydrophobicContact CB-CG2 4.03Å; H262-Y279 WeakPolarHBondContact CA-O 3.45Å
263	K	97.6	Very high	95.6	Very high	48 Å²	48	52 Å²	52	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.5	174.1	-66.1	-177.3	-179	-176.2	0	108.8	T278 Y279 P281 D320	K263-T278 WeakPolarHBondContact O-CA 3.39Å; K263-Y279 HydrophobicContact CB-CD1 4.24Å; K263-Y279 HydrophobicContact CB-CE1 3.56Å; K263-Y279 WeakPolarHBondContact CD-OH 3.37Å; K263-Y279 PolarHBondContact N-O 3.46Å; K263-Y279 VanDerWaalsContact O-CD1 3.29Å; K263-Y279 WeakPolarHBondContact O-CD1 3.43Å; K263-Y279 PolarHBondContact O-N 2.61Å; K263-P281 HydrophobicContact CD-CG 4.21Å; K263-D320 VanDerWaalsContact NZ-CG 3.31Å; K263-D320 IonicContact NZ-OD1 3.4Å; K263-D320 PolarHBondContact NZ-OD1 3.21Å; K263-D320 IonicContact NZ-OD2 3.27Å; K263-D320 PolarHBondContact NZ-OD2 2.99Å
264	S	98.2	Very high	95.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111.7	179	-60.5	0	0	0	0	110.8	C221 Y222 L257 I277 T278	C221-S264 WeakPolarHBondContact CA-O 3.44Å; Y222-S264 PolarHBondContact N-O 3.45Å; Y222-S264 PolarHBondContact O-N 3.48Å; L257-S264 WeakPolarHBondContact CD1-OG 3.44Å; S264-I277 WeakPolarHBondContact CA-O 3.38Å; S264-T278 PolarHBondContact OG-OG1 3.32Å
265	V	98	Very high	95.6	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.7	166.6	-174.2	0	0	0	0	107.3	V220 C221 G276 I277 Y279 L308 H311 L312	V220-V265 CarbonylContact O-C 3.51Å; V220-V265 VanDerWaalsContact O-CA 3.29Å; V220-V265 WeakPolarHBondContact O-CA 3.22Å; C221-V265 HydrophobicContact CB-CG2 4.12Å; V265-G276 CarbonylContact O-C 3.29Å; V265-G276 WeakPolarHBondContact O-CA 3.28Å; V265-I277 PolarHBondContact N-O 2.89Å; V265-I277 PolarHBondContact O-N 3.1Å; V265-Y279 HydrophobicContact CG2-CE1 3.94Å; V265-L308 HydrophobicContact CB-CD1 4.44Å; V265-L308 HydrophobicContact CG1-CD1 3.87Å; V265-H311 HydrophobicContact CG1-CB 4.42Å; V265-L312 HydrophobicContact CB-CD1 4.48Å; V265-L312 HydrophobicContact CG2-CB 4.26Å; V265-L312 HydrophobicContact CG2-CD1 3.64Å
266	M	97.7	Very high	95.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.2	-173.6	-73.5	176.7	-72.2	0	0	111.1	F219 V220 Y222 C233 L234 L237 L268 V273 G275	F219-M266 WeakPolarHBondContact CA-O 3.36Å; V220-M266 HydrophobicContact CG2-CB 4Å; V220-M266 HydrophobicContact CG2-CE 4.29Å; V220-M266 PolarHBondContact N-O 3.27Å; V220-M266 PolarHBondContact O-N 2.97Å; Y222-M266 HydrophobicContact CD2-CE 3.54Å; Y222-M266 HydrophobicContact CG-CE 3.96Å; C233-M266 HydrophobicContact CB-CE 3.81Å; C233-M266 HydrophobicContact CB-SD 4.01Å; L234-M266 HydrophobicContact CD2-CE 4.45Å; L237-M266 HydrophobicContact CB-SD 3.93Å; L237-M266 HydrophobicContact CD2-CG 3.73Å; L237-M266 HydrophobicContact CD2-SD 3.83Å; L237-M266 HydrophobicContact CG-SD 4.42Å; M266-L268 HydrophobicContact CB-CD2 4.42Å; M266-V273 HydrophobicContact SD-CG1 4.37Å; M266-G275 WeakPolarHBondContact CA-O 3.44Å
267	V	96.8	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.4	164.7	52.3	0	0	0	0	109.4	L217 F219 V274 G275 I295 Y304 L308	L217-V267 HydrophobicContact CD2-CG2 4.38Å; F219-V267 HydrophobicContact CD1-CB 4Å; F219-V267 HydrophobicContact CD1-CG2 4.45Å; F219-V267 HydrophobicContact CE1-CB 3.66Å; F219-V267 HydrophobicContact CE1-CG2 3.91Å; F219-V267 HydrophobicContact CE2-CG2 4.42Å; F219-V267 HydrophobicContact CZ-CB 4.17Å; F219-V267 HydrophobicContact CZ-CG2 3.89Å; V267-V274 HydrophobicContact CG1-CB 3.99Å; V267-V274 HydrophobicContact CG1-CG1 4.1Å; V267-V274 PolarHBondContact O-N 3.37Å; V267-G275 PolarHBondContact N-O 3.37Å; V267-I295 HydrophobicContact CG1-CD1 4.26Å; V267-Y304 HydrophobicContact CG2-CD1 3.98Å; V267-Y304 HydrophobicContact CG2-CE1 4.26Å; V267-L308 HydrophobicContact CB-CD1 4.47Å
268	L	96.3	Very high	95.9	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.6	177.3	-54.1	-177.5	0	0	0	109.9	L217 K218 V220 M266 L272 V273	L217-L268 CarbonylContact C-O 3.42Å; L217-L268 WeakPolarHBondContact CA-O 3.24Å; K218-L268 HydrophobicContact CB-CB 4.44Å; K218-L268 PolarHBondContact N-O 3.28Å; K218-L268 PolarHBondContact O-N 2.99Å; V220-L268 HydrophobicContact CG1-CD1 4.24Å; V220-L268 HydrophobicContact CG2-CD1 3.82Å; V220-L268 HydrophobicContact CG2-CG 4.04Å; M266-L268 HydrophobicContact CB-CD2 4.42Å; L268-L272 CarbonylContact C-O 3.49Å; L268-L272 WeakPolarHBondContact CA-O 3.36Å; L268-V273 HydrophobicContact CD2-CB 4.2Å; L268-V273 HydrophobicContact CD2-CG1 4.34Å; L268-V273 HydrophobicContact CD2-CG2 3.77Å
269	R	93.2	Very high	96	Very high	101 Å²	101	41.1 Å²	41.1	38%	0.381	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	100.7	170.8	-169.4	173.5	-164.1	177.9	6.2	108.4	E211 R216 L217 N271 L272 V274 E299	E211-R269 IonicContact OE2-NH2 3.26Å; R216-R269 WeakPolarHBondContact O-CA 3.39Å; L217-R269 HydrophobicContact CD2-CB 3.97Å; L217-R269 HydrophobicContact CD2-CG 3.96Å; R269-N271 PolarHBondContact O-N 3.48Å; R269-L272 PolarHBondContact N-O 3.07Å; R269-L272 PolarHBondContact O-N 2.98Å; R269-L272 VanDerWaalsContact O-N 3.1Å; R269-V274 HydrophobicContact CB-CG2 3.65Å; R269-E299 IonicContact CZ-OE1 2.78Å; R269-E299 IonicContact NH1-OE1 3.59Å; R269-E299 PolarHBondContact NH1-OE1 3.17Å; R269-E299 IonicContact NH1-OE2 3.57Å
270	G	89.7	Confident	96.1	Very high	43 Å²	43	41.3 Å²	41.3	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-119.5	-158.7	0	0	0	0	0	110.1	R216	R216-G270 PolarHBondContact O-N 2.94Å
271	N	86.5	Confident	96.1	Very high	163 Å²	163	33.9 Å²	33.9	87%	0.872	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	1.3	177.5	-62.5	10.2	0	0	0	113.2	R269	R269-N271 PolarHBondContact O-N 3.48Å
272	L	93.7	Very high	96.2	Very high	119 Å²	119	28.1 Å²	28.1	62%	0.623	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.2	-179.9	-178.7	63.7	0	0	0	110.7	L268 R269 V274	L268-L272 CarbonylContact C-O 3.49Å; L268-L272 WeakPolarHBondContact CA-O 3.36Å; R269-L272 PolarHBondContact N-O 3.07Å; R269-L272 PolarHBondContact O-N 2.98Å; R269-L272 VanDerWaalsContact O-N 3.1Å; L272-V274 PolarHBondContact O-N 3.13Å
273	V	96.4	Very high	96.1	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.9	170.2	-168.4	0	0	0	0	109.2	C233 L237 I240 M266 L268	C233-V273 HydrophobicContact CB-CG2 4.5Å; L237-V273 HydrophobicContact CB-CG1 4.22Å; L237-V273 HydrophobicContact CD1-CG1 4.35Å; I240-V273 HydrophobicContact CD1-CB 3.99Å; I240-V273 HydrophobicContact CD1-CG1 3.64Å; I240-V273 WeakPolarHBondContact CD1-O 3.42Å; M266-V273 HydrophobicContact SD-CG1 4.37Å; L268-V273 HydrophobicContact CD2-CB 4.2Å; L268-V273 HydrophobicContact CD2-CG1 4.34Å; L268-V273 HydrophobicContact CD2-CG2 3.77Å
274	V	95.7	Very high	96	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-23.2	176.9	167.6	0	0	0	0	111.6	V267 R269 L272 I295 T296 E299 Y304	V267-V274 HydrophobicContact CG1-CB 3.99Å; V267-V274 HydrophobicContact CG1-CG1 4.1Å; V267-V274 PolarHBondContact O-N 3.37Å; R269-V274 HydrophobicContact CB-CG2 3.65Å; L272-V274 PolarHBondContact O-N 3.13Å; V274-I295 HydrophobicContact CG1-CG2 4.25Å; V274-T296 WeakPolarHBondContact O-CG2 3.28Å; V274-T296 PolarHBondContact O-N 3.04Å; V274-E299 HydrophobicContact CG1-CB 3.67Å; V274-E299 HydrophobicContact CG1-CG 3.81Å; V274-E299 HydrophobicContact CG2-CG 4.48Å; V274-Y304 HydrophobicContact CG1-CD1 4.36Å; V274-Y304 HydrophobicContact CG1-CD2 4.35Å; V274-Y304 HydrophobicContact CG1-CE1 4.39Å; V274-Y304 HydrophobicContact CG1-CE2 4.4Å; V274-Y304 HydrophobicContact CG1-CG 4.31Å
275	G	97.3	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	176.2	177.6	0	0	0	0	0	112.5	M266 V267 A294	M266-G275 WeakPolarHBondContact CA-O 3.44Å; V267-G275 PolarHBondContact N-O 3.37Å; G275-A294 CarbonylContact C-O 3.57Å; G275-A294 WeakPolarHBondContact CA-O 3.29Å
276	G	97.9	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	162.1	-178.5	0	0	0	0	0	114	F241 V265 A294	F241-G276 WeakPolarHBondContact CE1-O 3.38Å; V265-G276 CarbonylContact O-C 3.29Å; V265-G276 WeakPolarHBondContact O-CA 3.28Å; G276-A294 PolarHBondContact N-O 3.33Å; G276-A294 PolarHBondContact O-N 3.48Å; G276-A294 VanDerWaalsContact O-N 3.08Å
277	I	98.5	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.8	168.9	-56.9	171.2	0	0	0	107.6	S264 V265 I290 F292 C293 L308 M309 L312	S264-I277 WeakPolarHBondContact CA-O 3.38Å; V265-I277 PolarHBondContact N-O 2.89Å; V265-I277 PolarHBondContact O-N 3.1Å; I277-I290 HydrophobicContact CG2-CD1 4.44Å; I277-I290 HydrophobicContact CG2-CG1 4.31Å; I277-I290 HydrophobicContact CG2-CG2 3.67Å; I277-F292 CarbonylContact C-O 3.57Å; I277-F292 VanDerWaalsContact CA-O 3.27Å; I277-F292 WeakPolarHBondContact CA-O 3.2Å; I277-F292 WeakPolarHBondContact CG2-O 3.47Å; I277-C293 HydrophobicContact CG1-CB 4.06Å; I277-C293 HydrophobicContact CG2-CB 4.42Å; I277-L308 HydrophobicContact CD1-CD2 4.25Å; I277-L308 HydrophobicContact CD1-CG 3.99Å; I277-L308 HydrophobicContact CG1-CD2 3.83Å; I277-L308 HydrophobicContact CG1-CG 4.01Å; I277-M309 HydrophobicContact CD1-CB 4.38Å; I277-M309 HydrophobicContact CD1-CE 3.83Å; I277-M309 HydrophobicContact CD1-SD 4.28Å; I277-L312 HydrophobicContact CB-CD2 3.98Å; I277-L312 HydrophobicContact CD1-CB 4.43Å; I277-L312 HydrophobicContact CD1-CD2 3.69Å; I277-L312 HydrophobicContact CG1-CD2 4.43Å; I277-L312 HydrophobicContact CG2-CD2 3.56Å
278	T	98.2	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.9	172.9	-59.9	0	0	0	0	109	F241 L257 H262 K263 S264 A291 F292	F241-T278 VanDerWaalsContact CE2-OG1 3.25Å; F241-T278 WeakPolarHBondContact CE2-OG1 3.38Å; L257-T278 HydrophobicContact CD1-CG2 4.02Å; L257-T278 WeakPolarHBondContact CD1-OG1 3.28Å; H262-T278 HydrophobicContact CB-CG2 4.03Å; K263-T278 WeakPolarHBondContact O-CA 3.39Å; S264-T278 PolarHBondContact OG-OG1 3.32Å; T278-A291 PolarHBondContact O-N 2.95Å; T278-F292 HydrophobicContact CG2-CD2 4.44Å; T278-F292 PolarHBondContact N-O 3.25Å; T278-F292 PolarHBondContact O-N 3.49Å
279	Y	98.1	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161	-177.4	72.4	-71.4	0	0	0	111.1	H262 K263 V265 P281 E289 L312 H315 D320 L322 F325	H262-Y279 WeakPolarHBondContact CA-O 3.45Å; K263-Y279 HydrophobicContact CB-CD1 4.24Å; K263-Y279 HydrophobicContact CB-CE1 3.56Å; K263-Y279 WeakPolarHBondContact CD-OH 3.37Å; K263-Y279 PolarHBondContact N-O 3.46Å; K263-Y279 VanDerWaalsContact O-CD1 3.29Å; K263-Y279 WeakPolarHBondContact O-CD1 3.43Å; K263-Y279 PolarHBondContact O-N 2.61Å; V265-Y279 HydrophobicContact CG2-CE1 3.94Å; Y279-P281 HydrophobicContact CE2-CB 4.18Å; Y279-P281 HydrophobicContact CE2-CG 4.38Å; Y279-E289 CarbonylContact C-O 3.46Å; Y279-E289 WeakPolarHBondContact CA-O 3.47Å; Y279-E289 VanDerWaalsContact CB-O 3.3Å; Y279-E289 WeakPolarHBondContact CB-O 3.44Å; Y279-L312 HydrophobicContact CD1-CD1 3.58Å; Y279-L312 HydrophobicContact CD2-CD1 4.42Å; Y279-L312 HydrophobicContact CE1-CD1 3.53Å; Y279-L312 HydrophobicContact CE2-CD1 4.35Å; Y279-L312 HydrophobicContact CG-CD1 4.05Å; Y279-H315 PolarHBondContact OH-CD2 3.43Å; Y279-H315 VanDerWaalsContact OH-CD2 3.29Å; Y279-D320 WeakPolarHBondContact CE2-OD2 3.42Å; Y279-D320 PolarHBondContact OH-OD2 3.43Å; Y279-L322 HydrophobicContact CE2-CD1 4.4Å; Y279-F325 HydrophobicContact CD2-CE1 4.01Å; Y279-F325 HydrophobicContact CG-CE1 4.39Å
280	R	97.8	Very high	96.2	Very high	56 Å²	56	38.7 Å²	38.7	21%	0.211	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.4	175.2	179.8	165	172.2	-146.2	-8	109.9	Y282 G288 E289	R280-Y282 HydrophobicContact CB-CE2 4.18Å; R280-Y282 WeakPolarHBondContact CD-OH 3.18Å; R280-Y282 HydrophobicContact CG-CD2 4.49Å; R280-Y282 HydrophobicContact CG-CE1 4.47Å; R280-Y282 HydrophobicContact CG-CE2 3.85Å; R280-Y282 PolarHBondContact NE-OH 3.04Å; R280-Y282 PolarHBondContact NH1-OH 2.94Å; R280-Y282 WeakPolarHBondContact O-CD2 3.34Å; R280-G288 WeakPolarHBondContact O-CA 3.37Å; R280-E289 HydrophobicContact CB-CB 4.39Å; R280-E289 PolarHBondContact N-O 3.48Å; R280-E289 PolarHBondContact O-N 2.84Å
281	P	97.6	Very high	96.5	Very high	14 Å²	14	37.4 Å²	37.4	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.2	176.9	29.9	-34.4	0	0	0	111.9	K263 Y279 D320 L322	K263-P281 HydrophobicContact CD-CG 4.21Å; Y279-P281 HydrophobicContact CE2-CB 4.18Å; Y279-P281 HydrophobicContact CE2-CG 4.38Å; P281-D320 HydrophobicContact CB-CB 4.5Å; P281-L322 HydrophobicContact CB-CD1 3.93Å; P281-L322 HydrophobicContact CB-CD2 4.41Å
282	Y	97.4	Very high	96.9	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.051	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	76.8	171.8	-63	-90.1	0	0	0	109.5	R280 S284 Q285 K286 F287 E289 F356	R280-Y282 HydrophobicContact CB-CE2 4.18Å; R280-Y282 WeakPolarHBondContact CD-OH 3.18Å; R280-Y282 HydrophobicContact CG-CD2 4.49Å; R280-Y282 HydrophobicContact CG-CE1 4.47Å; R280-Y282 HydrophobicContact CG-CE2 3.85Å; R280-Y282 PolarHBondContact NE-OH 3.04Å; R280-Y282 PolarHBondContact NH1-OH 2.94Å; R280-Y282 WeakPolarHBondContact O-CD2 3.34Å; Y282-S284 VanDerWaalsContact C-N 3.29Å; Y282-S284 PolarHBondContact O-N 3.22Å; Y282-S284 VanDerWaalsContact O-N 3.17Å; Y282-Q285 CarbonylContact O-C 3.55Å; Y282-Q285 PolarHBondContact O-N 2.94Å; Y282-K286 PolarHBondContact O-N 3.5Å; Y282-F287 WeakPolarHBondContact CA-O 3.49Å; Y282-F287 WeakPolarHBondContact CB-O 3.49Å; Y282-F287 HydrophobicContact CD2-CD2 4.11Å; Y282-F287 HydrophobicContact CD2-CE1 4.18Å; Y282-F287 AromaticContact CD2-CE2 3.44Å; Y282-F287 HydrophobicContact CD2-CE2 3.44Å; Y282-F287 VanDerWaalsContact CD2-CE2 3.44Å; Y282-F287 AromaticContact CD2-CZ 3.48Å; Y282-F287 HydrophobicContact CD2-CZ 3.48Å; Y282-F287 VanDerWaalsContact CD2-CZ 3.48Å; Y282-F287 AromaticContact CE2-CE2 3.81Å; Y282-F287 HydrophobicContact CE2-CE2 3.81Å; Y282-F287 AromaticContact CE2-CZ 3.93Å; Y282-F287 HydrophobicContact CE2-CZ 3.93Å; Y282-F287 HydrophobicContact CG-CE1 4.16Å; Y282-F287 HydrophobicContact CG-CE2 4.24Å; Y282-F287 AromaticContact CG-CZ 3.84Å; Y282-F287 HydrophobicContact CG-CZ 3.84Å; Y282-F287 PolarHBondContact N-O 2.85Å; Y282-E289 HydrophobicContact CD2-CB 4.48Å; Y282-E289 HydrophobicContact CE2-CB 3.7Å; Y282-E289 PolarHBondContact OH-OE2 3.36Å; Y282-F356 HydrophobicContact CD1-CB 4.23Å; Y282-F356 AromaticContact CD1-CD1 3.71Å; Y282-F356 HydrophobicContact CD1-CD1 3.71Å; Y282-F356 HydrophobicContact CD1-CG 4.34Å; Y282-F356 HydrophobicContact CE1-CB 3.87Å; Y282-F356 AromaticContact CE1-CD1 3.8Å; Y282-F356 HydrophobicContact CE1-CD1 3.8Å; Y282-F356 HydrophobicContact CE1-CG 4.32Å; Y282-F356 PolarHBondContact OH-O 2.59Å
283	H	95.9	Very high	97.1	Very high	102 Å²	102	25.6 Å²	25.6	47%	0.472	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-40.7	-172.1	-51.7	89	0	0	0	114	K286 D320	H283-K286 PolarHBondContact O-N 3.24Å; H283-D320 PolarHBondContact CD2-O 3.3Å
284	S	95.5	Very high	97.1	Very high	108 Å²	108	25.6 Å²	25.6	76%	0.755	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.2	179.2	-51.4	0	0	0	0	113	Y282	Y282-S284 VanDerWaalsContact C-N 3.29Å; Y282-S284 PolarHBondContact O-N 3.22Å; Y282-S284 VanDerWaalsContact O-N 3.17Å
285	Q	95.6	Very high	97.2	Very high	53 Å²	53	26.2 Å²	26.2	25%	0.248	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.3	177.7	-66.6	66.6	33.1	0	0	112.4	Y282 F287 V352 F356	Y282-Q285 CarbonylContact O-C 3.55Å; Y282-Q285 PolarHBondContact O-N 2.94Å; Q285-F287 HydrophobicContact CB-CD1 3.51Å; Q285-F287 HydrophobicContact CB-CE1 3.55Å; Q285-F287 HydrophobicContact CG-CE1 4.09Å; Q285-F287 PolarHBondContact O-N 3.25Å; Q285-V352 HydrophobicContact CB-CG1 3.87Å; Q285-V352 HydrophobicContact CG-CG1 4.29Å; Q285-V352 WeakPolarHBondContact CG-O 3.38Å; Q285-F356 HydrophobicContact CG-CE1 4.33Å; Q285-F356 HydrophobicContact CG-CE2 4.18Å; Q285-F356 HydrophobicContact CG-CZ 4.08Å; Q285-F356 VanDerWaalsContact NE2-CZ 3.32Å
286	K	96.8	Very high	97.1	Very high	117 Å²	117	26.8 Å²	26.8	51%	0.509	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	28.8	-178.7	-57.1	-176.4	179.9	179.4	0	115.2	Y282 H283 L322 T323 H324	Y282-K286 PolarHBondContact O-N 3.5Å; H283-K286 PolarHBondContact O-N 3.24Å; K286-L322 WeakPolarHBondContact O-CA 3.36Å; K286-T323 PolarHBondContact O-N 3.38Å; K286-T323 PolarHBondContact O-OG1 3.46Å; K286-H324 PolarHBondContact O-N 3.4Å
287	F	97.6	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.8	171.7	81.8	-90.3	0	0	0	112.7	Y282 Q285 E289 H324 L326 L348 V352 W353 F356 I357	Y282-F287 WeakPolarHBondContact CA-O 3.49Å; Y282-F287 WeakPolarHBondContact CB-O 3.49Å; Y282-F287 HydrophobicContact CD2-CD2 4.11Å; Y282-F287 HydrophobicContact CD2-CE1 4.18Å; Y282-F287 AromaticContact CD2-CE2 3.44Å; Y282-F287 HydrophobicContact CD2-CE2 3.44Å; Y282-F287 VanDerWaalsContact CD2-CE2 3.44Å; Y282-F287 AromaticContact CD2-CZ 3.48Å; Y282-F287 HydrophobicContact CD2-CZ 3.48Å; Y282-F287 VanDerWaalsContact CD2-CZ 3.48Å; Y282-F287 AromaticContact CE2-CE2 3.81Å; Y282-F287 HydrophobicContact CE2-CE2 3.81Å; Y282-F287 AromaticContact CE2-CZ 3.93Å; Y282-F287 HydrophobicContact CE2-CZ 3.93Å; Y282-F287 HydrophobicContact CG-CE1 4.16Å; Y282-F287 HydrophobicContact CG-CE2 4.24Å; Y282-F287 AromaticContact CG-CZ 3.84Å; Y282-F287 HydrophobicContact CG-CZ 3.84Å; Y282-F287 PolarHBondContact N-O 2.85Å; Q285-F287 HydrophobicContact CB-CD1 3.51Å; Q285-F287 HydrophobicContact CB-CE1 3.55Å; Q285-F287 HydrophobicContact CG-CE1 4.09Å; Q285-F287 PolarHBondContact O-N 3.25Å; F287-E289 HydrophobicContact CE2-CB 4.45Å; F287-H324 CarbonylContact C-O 3.56Å; F287-H324 WeakPolarHBondContact CA-O 3.4Å; F287-H324 HydrophobicContact CB-CB 4.05Å; F287-L326 HydrophobicContact CD2-CB 4.42Å; F287-L326 HydrophobicContact CD2-CD1 4.03Å; F287-L326 HydrophobicContact CD2-CG 4.26Å; F287-L326 HydrophobicContact CE2-CD1 4.1Å; F287-L348 HydrophobicContact CB-CD2 4.09Å; F287-L348 HydrophobicContact CD1-CD2 4.22Å; F287-L348 HydrophobicContact CG-CD2 4.22Å; F287-V352 HydrophobicContact CD1-CG1 4.4Å; F287-V352 WeakPolarHBondContact CE1-O 3.38Å; F287-W353 HydrophobicContact CD1-CB 4.45Å; F287-W353 HydrophobicContact CE1-CB 3.9Å; F287-W353 HydrophobicContact CZ-CB 3.96Å; F287-F356 HydrophobicContact CZ-CB 3.92Å; F287-I357 HydrophobicContact CE2-CG2 3.51Å; F287-I357 HydrophobicContact CZ-CG2 3.85Å
288	G	97.7	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137	170.6	0	0	0	0	0	111.6	R280 H324 F325 L326	R280-G288 WeakPolarHBondContact O-CA 3.37Å; G288-H324 PolarHBondContact N-O 3.22Å; G288-F325 CarbonylContact O-C 3.51Å; G288-F325 VanDerWaalsContact O-CA 3.32Å; G288-F325 WeakPolarHBondContact O-CA 3.29Å; G288-F325 WeakPolarHBondContact O-CD1 3.39Å; G288-L326 PolarHBondContact O-N 3.41Å
289	E	97.8	Very high	96.1	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.6	168.4	174.5	-174.2	-170.3	0	0	108.7	Y279 R280 Y282 F287 A291 L326 I357 K358	Y279-E289 CarbonylContact C-O 3.46Å; Y279-E289 WeakPolarHBondContact CA-O 3.47Å; Y279-E289 VanDerWaalsContact CB-O 3.3Å; Y279-E289 WeakPolarHBondContact CB-O 3.44Å; R280-E289 HydrophobicContact CB-CB 4.39Å; R280-E289 PolarHBondContact N-O 3.48Å; R280-E289 PolarHBondContact O-N 2.84Å; Y282-E289 HydrophobicContact CD2-CB 4.48Å; Y282-E289 HydrophobicContact CE2-CB 3.7Å; Y282-E289 PolarHBondContact OH-OE2 3.36Å; F287-E289 HydrophobicContact CE2-CB 4.45Å; E289-A291 PolarHBondContact O-N 3.46Å; E289-L326 CarbonylContact C-O 3.57Å; E289-L326 WeakPolarHBondContact CA-O 3.47Å; E289-I357 HydrophobicContact CB-CG2 4.13Å; E289-I357 HydrophobicContact CG-CB 4.29Å; E289-I357 HydrophobicContact CG-CG2 4.13Å; E289-K358 PolarHBondContact OE1-N 2.95Å
290	I	97.7	Very high	95.6	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.1	171	-64.6	175.8	0	0	0	107.9	I277 M309 L312 F325 L326 T327 F342	I277-I290 HydrophobicContact CG2-CD1 4.44Å; I277-I290 HydrophobicContact CG2-CG1 4.31Å; I277-I290 HydrophobicContact CG2-CG2 3.67Å; I290-M309 HydrophobicContact CD1-CE 4.09Å; I290-M309 HydrophobicContact CD1-SD 4.42Å; I290-L312 HydrophobicContact CD1-CD2 4Å; I290-L312 HydrophobicContact CG1-CD2 4.39Å; I290-F325 HydrophobicContact CD1-CB 4.22Å; I290-F325 HydrophobicContact CD1-CD1 3.96Å; I290-F325 HydrophobicContact CD1-CE1 4.46Å; I290-F325 HydrophobicContact CD1-CG 4.02Å; I290-F325 HydrophobicContact CG1-CD1 3.73Å; I290-F325 HydrophobicContact CG1-CE1 4.17Å; I290-F325 HydrophobicContact CG1-CG 4.28Å; I290-L326 PolarHBondContact N-O 3.33Å; I290-T327 PolarHBondContact O-OG1 2.89Å; I290-F342 HydrophobicContact CD1-CE1 4.36Å; I290-F342 HydrophobicContact CD1-CZ 3.76Å
291	A	95.9	Very high	95	Very high	15 Å²	15	39.7 Å²	39.7	12%	0.124	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-43.3	-179.2	0	0	0	0	0	111.9	L256 T278 E289	L256-A291 HydrophobicContact CD1-CB 4.14Å; T278-A291 PolarHBondContact O-N 2.95Å; E289-A291 PolarHBondContact O-N 3.46Å
292	F	96.6	Very high	94.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.9	-178.9	-51.4	-53.1	0	0	0	111.1	F241 L245 Y252 I253 L256 I277 T278	F241-F292 HydrophobicContact CD1-CB 3.79Å; F241-F292 HydrophobicContact CD2-CB 4.06Å; F241-F292 AromaticContact CD2-CD2 4Å; F241-F292 HydrophobicContact CD2-CD2 4Å; F241-F292 HydrophobicContact CD2-CG 4.27Å; F241-F292 HydrophobicContact CE1-CB 3.52Å; F241-F292 HydrophobicContact CE2-CB 3.77Å; F241-F292 HydrophobicContact CE2-CD2 4Å; F241-F292 HydrophobicContact CE2-CG 4.3Å; F241-F292 HydrophobicContact CG-CB 4.08Å; F241-F292 HydrophobicContact CG-CG 4.42Å; F241-F292 HydrophobicContact CZ-CB 3.51Å; F241-F292 HydrophobicContact CZ-CG 4.49Å; L245-F292 HydrophobicContact CD1-CB 4.01Å; L245-F292 HydrophobicContact CD1-CD1 3.68Å; L245-F292 HydrophobicContact CD1-CG 4.11Å; Y252-F292 HydrophobicContact CD1-CE1 4.18Å; Y252-F292 AromaticContact CD1-CZ 3.84Å; Y252-F292 HydrophobicContact CD1-CZ 3.84Å; Y252-F292 HydrophobicContact CE1-CE1 4.03Å; Y252-F292 AromaticContact CE1-CZ 3.83Å; Y252-F292 HydrophobicContact CE1-CZ 3.83Å; I253-F292 HydrophobicContact CB-CE2 4.38Å; I253-F292 HydrophobicContact CB-CZ 4.29Å; I253-F292 HydrophobicContact CG1-CE1 4.2Å; I253-F292 HydrophobicContact CG1-CE2 4.49Å; I253-F292 HydrophobicContact CG1-CZ 4.04Å; I253-F292 HydrophobicContact CG2-CE2 4.25Å; L256-F292 HydrophobicContact CB-CE2 3.9Å; L256-F292 HydrophobicContact CB-CZ 4.22Å; L256-F292 HydrophobicContact CD1-CE2 4.3Å; L256-F292 HydrophobicContact CD1-CZ 3.95Å; L256-F292 HydrophobicContact CG-CZ 4.38Å; I277-F292 CarbonylContact C-O 3.57Å; I277-F292 VanDerWaalsContact CA-O 3.27Å; I277-F292 WeakPolarHBondContact CA-O 3.2Å; I277-F292 WeakPolarHBondContact CG2-O 3.47Å; T278-F292 HydrophobicContact CG2-CD2 4.44Å; T278-F292 PolarHBondContact N-O 3.25Å; T278-F292 PolarHBondContact O-N 3.49Å
293	C	97	Very high	94.2	Very high	31 Å²	31	44 Å²	44	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	120.3	174.7	172.1	0	0	0	0	109.3	I277 F337	I277-C293 HydrophobicContact CG1-CB 4.06Å; I277-C293 HydrophobicContact CG2-CB 4.42Å; C293-F337 HydrophobicContact CB-CZ 4.45Å
294	A	96.9	Very high	94.1	Very high	11 Å²	11	39.3 Å²	39.3	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.6	179.3	0	0	0	0	0	113.4	I240 F241 Q244 G275 G276	I240-A294 HydrophobicContact CG2-CB 4.15Å; F241-A294 HydrophobicContact CD1-CB 3.65Å; F241-A294 HydrophobicContact CE1-CB 3.85Å; Q244-A294 HydrophobicContact CB-CB 3.81Å; Q244-A294 HydrophobicContact CG-CB 4.18Å; G275-A294 CarbonylContact C-O 3.57Å; G275-A294 WeakPolarHBondContact CA-O 3.29Å; G276-A294 PolarHBondContact N-O 3.33Å; G276-A294 PolarHBondContact O-N 3.48Å; G276-A294 VanDerWaalsContact O-N 3.08Å
295	I	96.3	Very high	94	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.077	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.3	169.5	-56.2	-61.2	0	0	0	107.3	Q244 V267 V274 E299 Q300 L308	Q244-I295 PolarHBondContact OE1-O 3.33Å; Q244-I295 VanDerWaalsContact OE1-O 3.07Å; V267-I295 HydrophobicContact CG1-CD1 4.26Å; V274-I295 HydrophobicContact CG1-CG2 4.25Å; I295-E299 HydrophobicContact CG2-CB 4.04Å; I295-Q300 HydrophobicContact CB-CG 4.34Å; I295-Q300 HydrophobicContact CG2-CG 4.45Å; I295-Q300 PolarHBondContact O-NE2 2.89Å; I295-L308 HydrophobicContact CD1-CD2 3.7Å
296	T	95.4	Very high	93.9	Very high	13 Å²	13	33.3 Å²	33.3	8%	0.08	19%	0.192	C	C	.	.			trans	-60.1	141.1	174.8	66.2	0	0	0	0	111.3	I240 V274 D298 E299 Q300	I240-T296 HydrophobicContact CD1-CG2 3.79Å; I240-T296 HydrophobicContact CG1-CG2 3.84Å; I240-T296 HydrophobicContact CG2-CG2 4.18Å; V274-T296 WeakPolarHBondContact O-CG2 3.28Å; V274-T296 PolarHBondContact O-N 3.04Å; T296-D298 WeakPolarHBondContact CB-OD1 3.19Å; T296-D298 PolarHBondContact O-N 3.37Å; T296-D298 VanDerWaalsContact O-N 3.15Å; T296-D298 PolarHBondContact OG1-OD1 2.9Å; T296-E299 CarbonylContact O-C 3.5Å; T296-E299 PolarHBondContact O-N 3.26Å; T296-Q300 WeakPolarHBondContact O-CG 3.31Å; T296-Q300 PolarHBondContact O-N 2.92Å; T296-Q300 VanDerWaalsContact O-N 3.13Å
297	A	92.5	Very high	93.8	Very high	56 Å²	56	27.8 Å²	27.8	46%	0.463	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-53.3	-38.2	-174.4	0	0	0	0	0	113.7	E299 Q300	A297-E299 VanDerWaalsContact C-N 3.29Å; A297-E299 PolarHBondContact O-N 3.46Å; A297-Q300 PolarHBondContact O-N 3.34Å
298	D	91.6	Very high	93.7	Very high	110 Å²	110	27.8 Å²	27.8	59%	0.588	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-70	-20.3	178.2	61	-55.8	0	0	0	114.1	T296 K302	T296-D298 WeakPolarHBondContact CB-OD1 3.19Å; T296-D298 PolarHBondContact O-N 3.37Å; T296-D298 VanDerWaalsContact O-N 3.15Å; T296-D298 PolarHBondContact OG1-OD1 2.9Å; D298-K302 PolarHBondContact O-NZ 3.21Å
299	E	90.5	Very high	93.7	Very high	13 Å²	13	27.8 Å²	27.8	6%	0.061	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-106.9	2.2	177.3	-64.2	-80.1	-148.2	0	0	112.8	R269 V274 I295 T296 A297 K302 Y304	R269-E299 IonicContact CZ-OE1 2.78Å; R269-E299 IonicContact NH1-OE1 3.59Å; R269-E299 PolarHBondContact NH1-OE1 3.17Å; R269-E299 IonicContact NH1-OE2 3.57Å; V274-E299 HydrophobicContact CG1-CB 3.67Å; V274-E299 HydrophobicContact CG1-CG 3.81Å; V274-E299 HydrophobicContact CG2-CG 4.48Å; I295-E299 HydrophobicContact CG2-CB 4.04Å; T296-E299 CarbonylContact O-C 3.5Å; T296-E299 PolarHBondContact O-N 3.26Å; A297-E299 VanDerWaalsContact C-N 3.29Å; A297-E299 PolarHBondContact O-N 3.46Å; E299-K302 WeakPolarHBondContact OE2-CD 3.48Å; E299-K302 WeakPolarHBondContact OE2-CE 3.44Å; E299-K302 IonicContact OE2-NZ 3.28Å; E299-K302 PolarHBondContact OE2-NZ 3.46Å; E299-Y304 HydrophobicContact CB-CD2 4.01Å; E299-Y304 HydrophobicContact CB-CE2 3.83Å; E299-Y304 HydrophobicContact CG-CE2 4.29Å; E299-Y304 VanDerWaalsContact O-CD2 3.28Å; E299-Y304 WeakPolarHBondContact O-CD2 3.4Å; E299-Y304 WeakPolarHBondContact OE2-CE2 3.45Å
300	Q	87.9	Confident	93.6	Very high	33 Å²	33	28 Å²	28	15%	0.154	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	163.2	174.5	-67.5	-166.1	14.8	0	0	112.9	A26 I295 T296 A297 K302	A26-Q300 PolarHBondContact O-NE2 2.88Å; A26-Q300 PolarHBondContact O-OE1 3.4Å; I295-Q300 HydrophobicContact CB-CG 4.34Å; I295-Q300 HydrophobicContact CG2-CG 4.45Å; I295-Q300 PolarHBondContact O-NE2 2.89Å; T296-Q300 WeakPolarHBondContact O-CG 3.31Å; T296-Q300 PolarHBondContact O-N 2.92Å; T296-Q300 VanDerWaalsContact O-N 3.13Å; A297-Q300 PolarHBondContact O-N 3.34Å; Q300-K302 PolarHBondContact O-N 3.35Å
301	V	84	Confident	93.6	Very high	115 Å²	115	29.2 Å²	29.2	70%	0.697	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-14.5	178.5	-166.9	0	0	0	0	115.8	R204 G303	R204-V301 PolarHBondContact NH1-O 3.31Å; V301-G303 VanDerWaalsContact C-N 3.29Å; V301-G303 PolarHBondContact O-N 2.82Å
302	K	87.5	Confident	93.7	Very high	97 Å²	97	28.5 Å²	28.5	42%	0.422	17%	0.169	S	C	.	.	S	Bend	trans	-72.4	-13.8	177.4	-67.9	167	-177.6	164.9	0	115	D298 E299 Q300 Y304	D298-K302 PolarHBondContact O-NZ 3.21Å; E299-K302 WeakPolarHBondContact OE2-CD 3.48Å; E299-K302 WeakPolarHBondContact OE2-CE 3.44Å; E299-K302 IonicContact OE2-NZ 3.28Å; E299-K302 PolarHBondContact OE2-NZ 3.46Å; Q300-K302 PolarHBondContact O-N 3.35Å; K302-Y304 HydrophobicContact CB-CD2 3.92Å; K302-Y304 HydrophobicContact CB-CE2 3.9Å; K302-Y304 HydrophobicContact CD-CE2 4.02Å
303	G	91.1	Very high	93.8	Very high	19 Å²	19	28.9 Å²	28.9	20%	0.196	17%	0.171	C	C	.	.	S	Bend	trans	113.6	-10.9	176.1	0	0	0	0	0	115.2	V301 G305 T306 R307	V301-G303 VanDerWaalsContact C-N 3.29Å; V301-G303 PolarHBondContact O-N 2.82Å; G303-G305 VanDerWaalsContact C-N 3.29Å; G303-G305 PolarHBondContact O-N 3.46Å; G303-G305 VanDerWaalsContact O-N 3.16Å; G303-T306 PolarHBondContact O-N 2.89Å; G303-R307 PolarHBondContact O-N 3.12Å; G303-R307 VanDerWaalsContact O-N 3.17Å
304	Y	93.8	Very high	93.8	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-52.4	-40.1	-176.4	-67.6	-77.4	0	0	0	114.6	L208 L217 V267 V274 E299 K302 R307 L308	L208-Y304 HydrophobicContact CD2-CD1 3.96Å; L208-Y304 HydrophobicContact CD2-CE1 3.64Å; L208-Y304 HydrophobicContact CD2-CE2 4.33Å; L208-Y304 HydrophobicContact CD2-CG 4.46Å; L217-Y304 HydrophobicContact CD1-CD1 4.41Å; L217-Y304 HydrophobicContact CD1-CE1 3.6Å; L217-Y304 HydrophobicContact CD2-CE1 3.72Å; L217-Y304 HydrophobicContact CG-CE1 4.32Å; V267-Y304 HydrophobicContact CG2-CD1 3.98Å; V267-Y304 HydrophobicContact CG2-CE1 4.26Å; V274-Y304 HydrophobicContact CG1-CD1 4.36Å; V274-Y304 HydrophobicContact CG1-CD2 4.35Å; V274-Y304 HydrophobicContact CG1-CE1 4.39Å; V274-Y304 HydrophobicContact CG1-CE2 4.4Å; V274-Y304 HydrophobicContact CG1-CG 4.31Å; E299-Y304 HydrophobicContact CB-CD2 4.01Å; E299-Y304 HydrophobicContact CB-CE2 3.83Å; E299-Y304 HydrophobicContact CG-CE2 4.29Å; E299-Y304 VanDerWaalsContact O-CD2 3.28Å; E299-Y304 WeakPolarHBondContact O-CD2 3.4Å; E299-Y304 WeakPolarHBondContact OE2-CE2 3.45Å; K302-Y304 HydrophobicContact CB-CD2 3.92Å; K302-Y304 HydrophobicContact CB-CE2 3.9Å; K302-Y304 HydrophobicContact CD-CE2 4.02Å; Y304-R307 PolarHBondContact O-N 3.48Å; Y304-L308 WeakPolarHBondContact O-CB 3.32Å; Y304-L308 PolarHBondContact O-N 2.95Å
305	G	94	Very high	93.8	Very high	15 Å²	15	31.5 Å²	31.5	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-48.6	-179.8	0	0	0	0	0	113	G303 R307 L308 M309 Y336	G303-G305 VanDerWaalsContact C-N 3.29Å; G303-G305 PolarHBondContact O-N 3.46Å; G303-G305 VanDerWaalsContact O-N 3.16Å; G305-R307 PolarHBondContact O-N 3.45Å; G305-L308 PolarHBondContact O-N 3.44Å; G305-M309 PolarHBondContact O-N 3.42Å; G305-Y336 PolarHBondContact O-OH 3.46Å; G305-Y336 VanDerWaalsContact O-OH 3.13Å
306	T	94	Very high	93.8	Very high	19 Å²	19	30.8 Å²	30.8	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-45.9	175.6	-54	0	0	0	0	111.3	Y201 G303 L308 M309 N310 Q340	Y201-T306 HydrophobicContact CE2-CG2 4.2Å; Y201-T306 WeakPolarHBondContact OH-CG2 3.36Å; G303-T306 PolarHBondContact O-N 2.89Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 2.92Å; T306-M309 WeakPolarHBondContact O-CB 3.08Å; T306-M309 PolarHBondContact O-N 3.02Å; T306-M309 VanDerWaalsContact O-N 3.17Å; T306-N310 PolarHBondContact O-N 3.5Å; T306-Q340 VanDerWaalsContact CG2-OE1 3.24Å
307	R	94.2	Very high	93.9	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-43.6	-179.1	-159.3	156.7	-156.5	-88.9	-31.5	111.7	E205 L208 K209 E212 F219 G303 Y304 G305 M309 N310 H311	E205-R307 VanDerWaalsContact OE1-CD 3.25Å; E205-R307 WeakPolarHBondContact OE1-CD 3.39Å; E205-R307 WeakPolarHBondContact OE1-CG 3.14Å; E205-R307 IonicContact OE1-CZ 3.35Å; E205-R307 IonicContact OE1-NE 2.72Å; E205-R307 PolarHBondContact OE1-NE 2.9Å; E205-R307 IonicContact OE2-NE 2.68Å; L208-R307 VanDerWaalsContact CB-CD 3.41Å; L208-R307 HydrophobicContact CD1-CB 4.35Å; L208-R307 PolarHBondContact O-NH1 2.86Å; K209-R307 VanDerWaalsContact CA-CZ 3.46Å; E212-R307 IonicContact OE2-CZ 3.36Å; E212-R307 IonicContact OE2-NH1 3.16Å; E212-R307 PolarHBondContact OE2-NH1 2.8Å; E212-R307 IonicContact OE2-NH2 2.69Å; E212-R307 PolarHBondContact OE2-NH2 3.22Å; F219-R307 HydrophobicContact CE1-CG 4.45Å; F219-R307 HydrophobicContact CE2-CG 4.26Å; F219-R307 HydrophobicContact CZ-CB 4.1Å; F219-R307 HydrophobicContact CZ-CG 3.78Å; G303-R307 PolarHBondContact O-N 3.12Å; G303-R307 VanDerWaalsContact O-N 3.17Å; Y304-R307 PolarHBondContact O-N 3.48Å; G305-R307 PolarHBondContact O-N 3.45Å; R307-M309 VanDerWaalsContact C-N 3.34Å; R307-M309 PolarHBondContact O-N 2.87Å; R307-N310 WeakPolarHBondContact O-CB 3.48Å; R307-N310 PolarHBondContact O-N 3.46Å; R307-N310 VanDerWaalsContact O-N 3.12Å; R307-H311 PolarHBondContact O-CD2 3.5Å; R307-H311 VanDerWaalsContact O-CD2 3.24Å; R307-H311 PolarHBondContact O-N 3.41Å
308	L	96.3	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-41.6	173.9	-177.3	65.2	0	0	0	112.4	F219 V265 V267 I277 I295 Y304 G305 T306 H311 L312	F219-L308 HydrophobicContact CD1-CD1 4.02Å; F219-L308 HydrophobicContact CE1-CB 4.15Å; F219-L308 HydrophobicContact CE1-CD1 4.18Å; V265-L308 HydrophobicContact CB-CD1 4.44Å; V265-L308 HydrophobicContact CG1-CD1 3.87Å; V267-L308 HydrophobicContact CB-CD1 4.47Å; I277-L308 HydrophobicContact CD1-CD2 4.25Å; I277-L308 HydrophobicContact CD1-CG 3.99Å; I277-L308 HydrophobicContact CG1-CD2 3.83Å; I277-L308 HydrophobicContact CG1-CG 4.01Å; I295-L308 HydrophobicContact CD1-CD2 3.7Å; Y304-L308 WeakPolarHBondContact O-CB 3.32Å; Y304-L308 PolarHBondContact O-N 2.95Å; G305-L308 PolarHBondContact O-N 3.44Å; T306-L308 VanDerWaalsContact C-N 3.34Å; T306-L308 PolarHBondContact O-N 2.92Å; L308-H311 PolarHBondContact O-N 2.75Å; L308-L312 WeakPolarHBondContact O-CB 3.45Å; L308-L312 PolarHBondContact O-N 2.97Å
309	M	97.2	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-38.5	173.1	-176.2	64.5	69.9	0	0	112.3	I277 I290 G305 T306 R307 L312 K313 Y336 F337 Q340 F342	I277-M309 HydrophobicContact CD1-CB 4.38Å; I277-M309 HydrophobicContact CD1-CE 3.83Å; I277-M309 HydrophobicContact CD1-SD 4.28Å; I290-M309 HydrophobicContact CD1-CE 4.09Å; I290-M309 HydrophobicContact CD1-SD 4.42Å; G305-M309 PolarHBondContact O-N 3.42Å; T306-M309 WeakPolarHBondContact O-CB 3.08Å; T306-M309 PolarHBondContact O-N 3.02Å; T306-M309 VanDerWaalsContact O-N 3.17Å; R307-M309 VanDerWaalsContact C-N 3.34Å; R307-M309 PolarHBondContact O-N 2.87Å; M309-L312 PolarHBondContact O-N 2.78Å; M309-L312 HydrophobicContact SD-CD2 4.01Å; M309-K313 WeakPolarHBondContact O-CG 3.39Å; M309-K313 PolarHBondContact O-N 3.07Å; M309-K313 HydrophobicContact SD-CG 4.43Å; M309-Y336 HydrophobicContact CE-CE1 4.26Å; M309-F337 HydrophobicContact CE-CD1 4.44Å; M309-F337 HydrophobicContact CE-CE1 4.17Å; M309-Q340 HydrophobicContact CB-CG 4.23Å; M309-Q340 HydrophobicContact CE-CG 4.35Å; M309-Q340 HydrophobicContact CG-CB 3.95Å; M309-Q340 HydrophobicContact CG-CG 3.91Å; M309-F342 HydrophobicContact CE-CE2 3.92Å; M309-F342 HydrophobicContact CE-CZ 4.26Å; M309-F342 HydrophobicContact SD-CE2 4.06Å; M309-F342 HydrophobicContact SD-CZ 4.41Å
310	N	96.3	Very high	94.6	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.059	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-44.6	175.1	-73.5	-23	0	0	0	111.8	T306 R307 K313 Q314 Y376	T306-N310 PolarHBondContact O-N 3.5Å; R307-N310 WeakPolarHBondContact O-CB 3.48Å; R307-N310 PolarHBondContact O-N 3.46Å; R307-N310 VanDerWaalsContact O-N 3.12Å; N310-K313 PolarHBondContact O-N 2.87Å; N310-Q314 WeakPolarHBondContact O-CB 3.47Å; N310-Q314 PolarHBondContact O-N 3.17Å; N310-Q314 VanDerWaalsContact O-N 3.07Å; N310-Y376 WeakPolarHBondContact CB-O 3.36Å; N310-Y376 WeakPolarHBondContact O-CB 3.24Å
311	H	97.1	Very high	95	Very high	30 Å²	30	33.8 Å²	33.8	14%	0.139	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-41.2	172.6	-80.1	-89.3	0	0	0	111.9	E212 F219 V265 R307 L308 Q314 H315	E212-H311 IonicContact OE1-CE1 3.46Å; E212-H311 PolarHBondContact OE1-CE1 3.01Å; E212-H311 IonicContact OE1-NE2 3.26Å; E212-H311 IonicContact OE2-CE1 2.69Å; E212-H311 IonicContact OE2-NE2 3.52Å; F219-H311 HydrophobicContact CB-CB 4.29Å; F219-H311 HydrophobicContact CD1-CB 4.13Å; F219-H311 AromaticContact CD1-CD2 3.61Å; F219-H311 AromaticContact CD1-CG 3.82Å; F219-H311 AromaticContact CD2-CD2 3.67Å; F219-H311 AromaticContact CD2-CE1 3.69Å; F219-H311 AromaticContact CD2-NE2 3.36Å; F219-H311 WeakPolarHBondContact CD2-NE2 3.41Å; F219-H311 AromaticContact CE1-CD2 3.89Å; F219-H311 AromaticContact CE2-CD2 3.97Å; F219-H311 AromaticContact CE2-NE2 3.72Å; F219-H311 HydrophobicContact CG-CB 4.33Å; F219-H311 AromaticContact CG-CD2 3.49Å; F219-H311 VanDerWaalsContact CG-CD2 3.49Å; F219-H311 WeakPolarHBondContact CG-CD2 3.27Å; F219-H311 AromaticContact CG-CE1 3.79Å; F219-H311 AromaticContact CG-CG 3.64Å; F219-H311 AromaticContact CG-ND1 3.82Å; F219-H311 AromaticContact CG-NE2 3.64Å; V265-H311 HydrophobicContact CG1-CB 4.42Å; R307-H311 PolarHBondContact O-CD2 3.5Å; R307-H311 VanDerWaalsContact O-CD2 3.24Å; R307-H311 PolarHBondContact O-N 3.41Å; L308-H311 PolarHBondContact O-N 2.75Å; H311-Q314 PolarHBondContact O-N 3.17Å; H311-H315 VanDerWaalsContact O-CB 3.29Å; H311-H315 WeakPolarHBondContact O-CB 3.1Å; H311-H315 PolarHBondContact O-N 2.96Å
312	L	98.1	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-49.3	175.9	172.2	63.9	0	0	0	112.2	V265 I277 Y279 I290 L308 M309 Q314 H315 A316 F325	V265-L312 HydrophobicContact CB-CD1 4.48Å; V265-L312 HydrophobicContact CG2-CB 4.26Å; V265-L312 HydrophobicContact CG2-CD1 3.64Å; I277-L312 HydrophobicContact CB-CD2 3.98Å; I277-L312 HydrophobicContact CD1-CB 4.43Å; I277-L312 HydrophobicContact CD1-CD2 3.69Å; I277-L312 HydrophobicContact CG1-CD2 4.43Å; I277-L312 HydrophobicContact CG2-CD2 3.56Å; Y279-L312 HydrophobicContact CD1-CD1 3.58Å; Y279-L312 HydrophobicContact CD2-CD1 4.42Å; Y279-L312 HydrophobicContact CE1-CD1 3.53Å; Y279-L312 HydrophobicContact CE2-CD1 4.35Å; Y279-L312 HydrophobicContact CG-CD1 4.05Å; I290-L312 HydrophobicContact CD1-CD2 4Å; I290-L312 HydrophobicContact CG1-CD2 4.39Å; L308-L312 WeakPolarHBondContact O-CB 3.45Å; L308-L312 PolarHBondContact O-N 2.97Å; M309-L312 PolarHBondContact O-N 2.78Å; M309-L312 HydrophobicContact SD-CD2 4.01Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.06Å; L312-H315 PolarHBondContact O-N 2.84Å; L312-A316 WeakPolarHBondContact O-CB 3.4Å; L312-A316 PolarHBondContact O-N 2.88Å; L312-F325 HydrophobicContact CD1-CE1 4.25Å; L312-F325 HydrophobicContact CD1-CZ 3.7Å; L312-F325 HydrophobicContact CD2-CE1 4.3Å; L312-F325 HydrophobicContact CD2-CE2 4.3Å; L312-F325 HydrophobicContact CD2-CZ 3.89Å; L312-F325 HydrophobicContact CG-CE1 4.31Å; L312-F325 HydrophobicContact CG-CE2 3.98Å; L312-F325 HydrophobicContact CG-CZ 3.52Å
313	K	98	Very high	96.2	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-42.5	178.6	-73.8	-176.6	-178.4	-166.3	0	112.3	M309 N310 R317 F325 Q340 C368 I370 Y376	M309-K313 WeakPolarHBondContact O-CG 3.39Å; M309-K313 PolarHBondContact O-N 3.07Å; M309-K313 HydrophobicContact SD-CG 4.43Å; N310-K313 PolarHBondContact O-N 2.87Å; K313-R317 WeakPolarHBondContact O-CB 3.01Å; K313-R317 PolarHBondContact O-N 3.44Å; K313-R317 VanDerWaalsContact O-N 3.09Å; K313-F325 HydrophobicContact CG-CD2 4.46Å; K313-F325 HydrophobicContact CG-CE2 4.11Å; K313-Q340 PolarHBondContact NZ-O 3.17Å; K313-C368 VanDerWaalsContact CE-SG 3.54Å; K313-C368 PolarHBondContact NZ-SG 2.81Å; K313-I370 HydrophobicContact CB-CG2 4.33Å; K313-Y376 HydrophobicContact CB-CD1 4.17Å; K313-Y376 HydrophobicContact CB-CD2 3.87Å; K313-Y376 HydrophobicContact CB-CE1 4.37Å; K313-Y376 HydrophobicContact CB-CE2 4.05Å; K313-Y376 HydrophobicContact CB-CG 3.94Å; K313-Y376 HydrophobicContact CD-CD1 3.78Å; K313-Y376 HydrophobicContact CD-CE1 3.46Å; K313-Y376 VanDerWaalsContact CD-CE1 3.46Å; K313-Y376 HydrophobicContact CD-CE2 4.38Å; K313-Y376 HydrophobicContact CD-CG 4.39Å
314	Q	96.7	Very high	96.5	Very high	47 Å²	47	26.9 Å²	26.9	22%	0.22	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-46.4	177.6	-169.1	162.4	-20.3	0	0	111.6	N310 H311 L312 R317 D318 T377	N310-Q314 WeakPolarHBondContact O-CB 3.47Å; N310-Q314 PolarHBondContact O-N 3.17Å; N310-Q314 VanDerWaalsContact O-N 3.07Å; H311-Q314 PolarHBondContact O-N 3.17Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 3.06Å; Q314-R317 PolarHBondContact O-N 3.02Å; Q314-D318 WeakPolarHBondContact CG-OD2 3.27Å; Q314-D318 PolarHBondContact NE2-OD2 2.91Å; Q314-D318 VanDerWaalsContact O-CB 3.24Å; Q314-D318 WeakPolarHBondContact O-CB 3.44Å; Q314-D318 PolarHBondContact O-N 3.4Å; Q314-T377 VanDerWaalsContact OE1-CG2 3.28Å; Q314-T377 VanDerWaalsContact OE1-N 3.14Å; Q314-T377 PolarHBondContact OE1-OG1 3.24Å
315	H	97.1	Very high	96.7	Very high	49 Å²	49	26.6 Å²	26.6	23%	0.227	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-45.7	176.6	-175.9	89.9	0	0	0	112.2	C221 Y279 H311 L312 R317 D318 V319 D320	C221-H315 PolarHBondContact SG-NE2 3.35Å; C221-H315 VanDerWaalsContact SG-NE2 3.43Å; Y279-H315 PolarHBondContact OH-CD2 3.43Å; Y279-H315 VanDerWaalsContact OH-CD2 3.29Å; H311-H315 VanDerWaalsContact O-CB 3.29Å; H311-H315 WeakPolarHBondContact O-CB 3.1Å; H311-H315 PolarHBondContact O-N 2.96Å; L312-H315 PolarHBondContact O-N 2.84Å; H315-R317 VanDerWaalsContact C-N 3.31Å; H315-R317 PolarHBondContact O-N 3.43Å; H315-D318 PolarHBondContact O-N 2.95Å; H315-V319 WeakPolarHBondContact O-CA 3.4Å; H315-V319 VanDerWaalsContact O-CB 3.27Å; H315-V319 WeakPolarHBondContact O-CB 3.36Å; H315-V319 PolarHBondContact O-N 3.36Å; H315-D320 PolarHBondContact O-N 2.77Å
316	A	97.5	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-35	-179.8	0	0	0	0	0	113	L312 D320 G321 L322 F325 I370	L312-A316 WeakPolarHBondContact O-CB 3.4Å; L312-A316 PolarHBondContact O-N 2.88Å; A316-D320 CarbonylContact O-C 3.54Å; A316-D320 WeakPolarHBondContact O-CB 3.44Å; A316-D320 PolarHBondContact O-N 3.09Å; A316-G321 PolarHBondContact O-N 3.05Å; A316-L322 HydrophobicContact CB-CB 4.35Å; A316-L322 HydrophobicContact CB-CD1 4.1Å; A316-L322 HydrophobicContact CB-CG 4.5Å; A316-L322 PolarHBondContact O-N 3.05Å; A316-F325 HydrophobicContact CB-CE1 4.3Å; A316-F325 HydrophobicContact CB-CE2 3.92Å; A316-F325 HydrophobicContact CB-CZ 3.4Å; A316-F325 VanDerWaalsContact CB-CZ 3.4Å; A316-I370 HydrophobicContact CB-CD1 4.17Å
317	R	96.7	Very high	97	Very high	48 Å²	48	25.3 Å²	25.3	18%	0.181	14%	0.142	C	C	.	.	H	α-helix	trans	-75.2	-53.7	173.2	-175.1	-170	64.5	-154.9	-2.4	112	K313 Q314 H315 G321 I370 D371 L374	K313-R317 WeakPolarHBondContact O-CB 3.01Å; K313-R317 PolarHBondContact O-N 3.44Å; K313-R317 VanDerWaalsContact O-N 3.09Å; Q314-R317 PolarHBondContact O-N 3.02Å; H315-R317 VanDerWaalsContact C-N 3.31Å; H315-R317 PolarHBondContact O-N 3.43Å; R317-G321 WeakPolarHBondContact O-CA 3.45Å; R317-G321 PolarHBondContact O-N 3.14Å; R317-I370 HydrophobicContact CB-CG2 4.13Å; R317-D371 WeakPolarHBondContact CD-O 3.47Å; R317-D371 PolarHBondContact NH1-O 3.42Å; R317-L374 PolarHBondContact NH1-O 3.02Å
318	D	96.6	Very high	97.1	Very high	89 Å²	89	27.8 Å²	27.8	48%	0.476	15%	0.152	S	C	.	.	H	α-helix	trans	-78.5	-27.2	-167	-61.3	-8.5	0	0	0	112.6	Q314 H315	Q314-D318 WeakPolarHBondContact CG-OD2 3.27Å; Q314-D318 PolarHBondContact NE2-OD2 2.91Å; Q314-D318 VanDerWaalsContact O-CB 3.24Å; Q314-D318 WeakPolarHBondContact O-CB 3.44Å; Q314-D318 PolarHBondContact O-N 3.4Å; H315-D318 PolarHBondContact O-N 2.95Å
319	V	96.4	Very high	97	Very high	96 Å²	96	27.9 Å²	27.9	58%	0.582	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-46.7	-177.5	-174.7	0	0	0	0	112.3	H315	H315-V319 WeakPolarHBondContact O-CA 3.4Å; H315-V319 VanDerWaalsContact O-CB 3.27Å; H315-V319 WeakPolarHBondContact O-CB 3.36Å; H315-V319 PolarHBondContact O-N 3.36Å
320	D	96.3	Very high	96.7	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.5	-175.7	-69.8	-7.4	0	0	0	114	K263 Y279 P281 H283 H315 A316 L322	K263-D320 VanDerWaalsContact NZ-CG 3.31Å; K263-D320 IonicContact NZ-OD1 3.4Å; K263-D320 PolarHBondContact NZ-OD1 3.21Å; K263-D320 IonicContact NZ-OD2 3.27Å; K263-D320 PolarHBondContact NZ-OD2 2.99Å; Y279-D320 WeakPolarHBondContact CE2-OD2 3.42Å; Y279-D320 PolarHBondContact OH-OD2 3.43Å; P281-D320 HydrophobicContact CB-CB 4.5Å; H283-D320 PolarHBondContact CD2-O 3.3Å; H315-D320 PolarHBondContact O-N 2.77Å; A316-D320 CarbonylContact O-C 3.54Å; A316-D320 WeakPolarHBondContact O-CB 3.44Å; A316-D320 PolarHBondContact O-N 3.09Å; D320-L322 VanDerWaalsContact C-N 3.25Å; D320-L322 HydrophobicContact CB-CD1 4.04Å; D320-L322 HydrophobicContact CB-CD2 4.31Å; D320-L322 HydrophobicContact CB-CG 3.71Å; D320-L322 PolarHBondContact O-N 3.38Å
321	G	96.8	Very high	96.4	Very high	44 Å²	44	34 Å²	34	45%	0.454	19%	0.185	S	C	.	.			trans	66.7	21.8	-179.8	0	0	0	0	0	114.7	A316 R317	A316-G321 PolarHBondContact O-N 3.05Å; R317-G321 WeakPolarHBondContact O-CA 3.45Å; R317-G321 PolarHBondContact O-N 3.14Å
322	L	97.8	Very high	96	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.206	C	C	.	.			trans	-81.3	147.6	-179	-49.3	-178.9	0	0	0	111.4	Y279 P281 K286 A316 D320	Y279-L322 HydrophobicContact CE2-CD1 4.4Å; P281-L322 HydrophobicContact CB-CD1 3.93Å; P281-L322 HydrophobicContact CB-CD2 4.41Å; K286-L322 WeakPolarHBondContact O-CA 3.36Å; A316-L322 HydrophobicContact CB-CB 4.35Å; A316-L322 HydrophobicContact CB-CD1 4.1Å; A316-L322 HydrophobicContact CB-CG 4.5Å; A316-L322 PolarHBondContact O-N 3.05Å; D320-L322 VanDerWaalsContact C-N 3.25Å; D320-L322 HydrophobicContact CB-CD1 4.04Å; D320-L322 HydrophobicContact CB-CD2 4.31Å; D320-L322 HydrophobicContact CB-CG 3.71Å; D320-L322 PolarHBondContact O-N 3.38Å
323	T	97.5	Very high	95.7	Very high	58 Å²	58	38.2 Å²	38.2	36%	0.356	21%	0.21	S	C	.	.			trans	-115	-18.3	179.5	54.7	0	0	0	0	113.1	K286 I370	K286-T323 PolarHBondContact O-N 3.38Å; K286-T323 PolarHBondContact O-OG1 3.46Å; T323-I370 PolarHBondContact O-N 3.04Å
324	H	98.2	Very high	95.6	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.116	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.4	-179.9	-55.4	83.3	0	0	0	112	K286 F287 G288 L348 E367 C368	K286-H324 PolarHBondContact O-N 3.4Å; F287-H324 CarbonylContact C-O 3.56Å; F287-H324 WeakPolarHBondContact CA-O 3.4Å; F287-H324 HydrophobicContact CB-CB 4.05Å; G288-H324 PolarHBondContact N-O 3.22Å; H324-L348 HydrophobicContact CB-CD2 4.42Å; H324-E367 IonicContact CD2-OE1 3.64Å; H324-E367 PolarHBondContact CD2-OE1 3.25Å; H324-E367 VanDerWaalsContact CD2-OE1 3.26Å; H324-E367 IonicContact NE2-OE1 3.9Å; H324-C368 CarbonylContact C-O 3.59Å; H324-C368 VanDerWaalsContact CA-O 3.31Å; H324-C368 WeakPolarHBondContact CA-O 3.42Å
325	F	98.4	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.3	162.2	-79.2	-67	0	0	0	110.2	Y279 G288 I290 L312 K313 A316 F342 E367 C368 I370	Y279-F325 HydrophobicContact CD2-CE1 4.01Å; Y279-F325 HydrophobicContact CG-CE1 4.39Å; G288-F325 CarbonylContact O-C 3.51Å; G288-F325 VanDerWaalsContact O-CA 3.32Å; G288-F325 WeakPolarHBondContact O-CA 3.29Å; G288-F325 WeakPolarHBondContact O-CD1 3.39Å; I290-F325 HydrophobicContact CD1-CB 4.22Å; I290-F325 HydrophobicContact CD1-CD1 3.96Å; I290-F325 HydrophobicContact CD1-CE1 4.46Å; I290-F325 HydrophobicContact CD1-CG 4.02Å; I290-F325 HydrophobicContact CG1-CD1 3.73Å; I290-F325 HydrophobicContact CG1-CE1 4.17Å; I290-F325 HydrophobicContact CG1-CG 4.28Å; L312-F325 HydrophobicContact CD1-CE1 4.25Å; L312-F325 HydrophobicContact CD1-CZ 3.7Å; L312-F325 HydrophobicContact CD2-CE1 4.3Å; L312-F325 HydrophobicContact CD2-CE2 4.3Å; L312-F325 HydrophobicContact CD2-CZ 3.89Å; L312-F325 HydrophobicContact CG-CE1 4.31Å; L312-F325 HydrophobicContact CG-CE2 3.98Å; L312-F325 HydrophobicContact CG-CZ 3.52Å; K313-F325 HydrophobicContact CG-CD2 4.46Å; K313-F325 HydrophobicContact CG-CE2 4.11Å; A316-F325 HydrophobicContact CB-CE1 4.3Å; A316-F325 HydrophobicContact CB-CE2 3.92Å; A316-F325 HydrophobicContact CB-CZ 3.4Å; A316-F325 VanDerWaalsContact CB-CZ 3.4Å; F325-F342 HydrophobicContact CB-CE1 3.88Å; F325-F342 HydrophobicContact CB-CZ 3.88Å; F325-E367 CarbonylContact O-C 3.42Å; F325-E367 WeakPolarHBondContact O-CA 3.39Å; F325-C368 HydrophobicContact CB-CB 4.4Å; F325-C368 PolarHBondContact N-O 3Å; F325-C368 PolarHBondContact O-N 3.22Å; F325-I370 HydrophobicContact CD2-CD1 3.71Å; F325-I370 HydrophobicContact CD2-CG1 4.03Å; F325-I370 HydrophobicContact CE2-CD1 3.56Å; F325-I370 HydrophobicContact CE2-CG1 4.27Å; F325-I370 HydrophobicContact CZ-CD1 4.35Å
326	L	97.9	Very high	95.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143	165.7	-66.8	175.9	0	0	0	109.2	F287 G288 E289 I290 I346 L348 W353 I357 L365 M366 E367	F287-L326 HydrophobicContact CD2-CB 4.42Å; F287-L326 HydrophobicContact CD2-CD1 4.03Å; F287-L326 HydrophobicContact CD2-CG 4.26Å; F287-L326 HydrophobicContact CE2-CD1 4.1Å; G288-L326 PolarHBondContact O-N 3.41Å; E289-L326 CarbonylContact C-O 3.57Å; E289-L326 WeakPolarHBondContact CA-O 3.47Å; I290-L326 PolarHBondContact N-O 3.33Å; L326-I346 HydrophobicContact CD2-CD1 4.36Å; L326-I346 HydrophobicContact CD2-CG2 4.2Å; L326-L348 HydrophobicContact CD1-CD2 4.21Å; L326-W353 HydrophobicContact CD1-CB 3.39Å; L326-W353 HydrophobicContact CD1-CD2 4.01Å; L326-W353 HydrophobicContact CD1-CE3 4.48Å; L326-W353 HydrophobicContact CD1-CG 3.53Å; L326-I357 HydrophobicContact CD1-CD1 4.44Å; L326-I357 HydrophobicContact CD1-CG2 4.29Å; L326-L365 HydrophobicContact CB-CD1 4.42Å; L326-M366 WeakPolarHBondContact CA-O 3.13Å; L326-E367 HydrophobicContact CD2-CB 3.83Å; L326-E367 HydrophobicContact CD2-CG 3.99Å
327	T	97.1	Very high	95.4	Very high	6 Å²	6	39 Å²	39	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.3	177.7	-166.7	0	0	0	0	110.1	I290 F337 F342 L365 M366	I290-T327 PolarHBondContact O-OG1 2.89Å; T327-F337 HydrophobicContact CG2-CD1 3.93Å; T327-F337 HydrophobicContact CG2-CD2 4.49Å; T327-F337 HydrophobicContact CG2-CE1 3.81Å; T327-F337 HydrophobicContact CG2-CE2 4.37Å; T327-F337 HydrophobicContact CG2-CG 4.28Å; T327-F337 HydrophobicContact CG2-CZ 4.04Å; T327-F342 HydrophobicContact CG2-CD1 3.81Å; T327-F342 HydrophobicContact CG2-CE1 3.73Å; T327-L365 CarbonylContact O-C 3.39Å; T327-L365 WeakPolarHBondContact O-CA 3.26Å; T327-M366 HydrophobicContact CG2-CB 4.02Å; T327-M366 PolarHBondContact N-O 2.83Å; T327-M366 PolarHBondContact O-N 3.23Å
328	Y	96	Very high	95.4	Very high	54 Å²	54	40.3 Å²	40.3	21%	0.212	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.9	159.1	-84.4	-90.7	0	0	0	108	I357 K358 D359 Y360 G363 L365	Y328-I357 HydrophobicContact CE2-CD1 3.89Å; Y328-K358 VanDerWaalsContact CD2-O 3.27Å; Y328-K358 WeakPolarHBondContact CD2-O 3.4Å; Y328-K358 VanDerWaalsContact CE2-O 3.25Å; Y328-K358 WeakPolarHBondContact CE2-O 3.5Å; Y328-D359 PolarHBondContact OH-OD1 2.61Å; Y328-Y360 AromaticContact CD2-CD2 3.72Å; Y328-Y360 HydrophobicContact CD2-CD2 3.72Å; Y328-Y360 HydrophobicContact CD2-CE2 4.4Å; Y328-Y360 AromaticContact CG-CD2 3.77Å; Y328-Y360 HydrophobicContact CG-CD2 3.77Å; Y328-Y360 HydrophobicContact CG-CG 4.46Å; Y328-G363 WeakPolarHBondContact CD1-O 3.43Å; Y328-L365 HydrophobicContact CD1-CB 4.42Å; Y328-L365 HydrophobicContact CD2-CD1 4.09Å; Y328-L365 HydrophobicContact CE1-CB 4Å; Y328-L365 HydrophobicContact CE2-CB 4.47Å; Y328-L365 HydrophobicContact CE2-CD1 3.84Å
329	A	94.5	Very high	95.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.3	177	0	0	0	0	0	110.1	V334 F337 G363 L364 M366	A329-V334 HydrophobicContact CB-CG2 4.11Å; A329-F337 HydrophobicContact CB-CD2 3.5Å; A329-F337 HydrophobicContact CB-CE2 3.78Å; A329-F337 HydrophobicContact CB-CG 4.43Å; A329-G363 WeakPolarHBondContact O-CA 3.49Å; A329-L364 PolarHBondContact N-O 3.02Å; A329-L364 PolarHBondContact O-N 2.83Å; A329-M366 HydrophobicContact CB-CG 4.34Å; A329-M366 HydrophobicContact CB-SD 3.79Å
330	D	90.2	Very high	95.2	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	23%	0.226	C	C	.	.			trans	-73.6	161.3	165.7	88.7	-44.2	0	0	0	110.1	A28 S29 V30 N332 A333 V334	A28-D330 VanDerWaalsContact CA-CG 3.5Å; A28-D330 WeakPolarHBondContact CA-OD1 3.15Å; A28-D330 VanDerWaalsContact CA-OD2 3.31Å; A28-D330 WeakPolarHBondContact CA-OD2 3.14Å; A28-D330 HydrophobicContact CB-CB 4.35Å; A28-D330 WeakPolarHBondContact CB-OD1 3.41Å; S29-D330 PolarHBondContact N-OD2 2.91Å; V30-D330 HydrophobicContact CG2-CB 3.78Å; D330-N332 PolarHBondContact O-N 3.34Å; D330-N332 WeakPolarHBondContact OD2-CB 3.45Å; D330-N332 PolarHBondContact OD2-ND2 3.02Å; D330-A333 PolarHBondContact O-N 3.48Å; D330-A333 WeakPolarHBondContact OD1-CB 2.77Å; D330-A333 PolarHBondContact OD1-N 3.37Å; D330-V334 WeakPolarHBondContact O-CG2 3.34Å; D330-V334 PolarHBondContact O-N 3.3Å; D330-V334 VanDerWaalsContact O-N 3.11Å
331	N	90.3	Very high	95.2	Very high	131 Å²	131	42.1 Å²	42.1	70%	0.701	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.6	-177.2	-69.4	-28.1	0	0	0	113.3
332	N	88.5	Confident	95.3	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.3	178.2	-56.5	-59.2	0	0	0	112.9	D330	D330-N332 PolarHBondContact O-N 3.34Å; D330-N332 WeakPolarHBondContact OD2-CB 3.45Å; D330-N332 PolarHBondContact OD2-ND2 3.02Å
333	A	92.1	Very high	95.2	Very high	12 Å²	12	42.4 Å²	42.4	10%	0.099	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.3	-180	0	0	0	0	0	114.3	A28 D330 G335 Y336 F337	A28-A333 HydrophobicContact CB-CB 4.32Å; D330-A333 PolarHBondContact O-N 3.48Å; D330-A333 WeakPolarHBondContact OD1-CB 2.77Å; D330-A333 PolarHBondContact OD1-N 3.37Å; A333-G335 PolarHBondContact O-N 3.14Å; A333-Y336 WeakPolarHBondContact O-CA 3.42Å; A333-Y336 WeakPolarHBondContact O-CB 3.32Å; A333-Y336 PolarHBondContact O-N 2.89Å; A333-F337 HydrophobicContact CB-CD2 3.88Å; A333-F337 HydrophobicContact CB-CE2 3.73Å; A333-F337 VanDerWaalsContact O-CD2 3.29Å; A333-F337 WeakPolarHBondContact O-CD2 3.33Å; A333-F337 PolarHBondContact O-N 2.78Å
334	V	94.4	Very high	95.1	Very high	20 Å²	20	45.8 Å²	45.8	12%	0.121	25%	0.25	C	C	.	.	H	α-helix	trans	-49.1	-46.4	178.4	173.6	0	0	0	0	111.5	A329 D330 Y336 F337 V338 L364 M366	A329-V334 HydrophobicContact CB-CG2 4.11Å; D330-V334 WeakPolarHBondContact O-CG2 3.34Å; D330-V334 PolarHBondContact O-N 3.3Å; D330-V334 VanDerWaalsContact O-N 3.11Å; V334-Y336 VanDerWaalsContact C-N 3.28Å; V334-Y336 PolarHBondContact O-N 2.94Å; V334-F337 PolarHBondContact O-N 2.67Å; V334-V338 HydrophobicContact CG1-CG2 4.16Å; V334-V338 WeakPolarHBondContact O-CG2 3.39Å; V334-V338 PolarHBondContact O-N 3.49Å; V334-L364 HydrophobicContact CG1-CD2 4.45Å; V334-L364 HydrophobicContact CG2-CB 4.38Å; V334-L364 HydrophobicContact CG2-CD2 3.95Å; V334-M366 HydrophobicContact CB-SD 4.4Å; V334-M366 HydrophobicContact CG1-CE 4.32Å; V334-M366 HydrophobicContact CG1-SD 4.12Å; V334-M366 HydrophobicContact CG2-SD 4.22Å
335	G	94.5	Very high	95	Very high	41 Å²	41	50.1 Å²	50.1	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-25.4	178.8	0	0	0	0	0	114.8	A333 K339	A333-G335 PolarHBondContact O-N 3.14Å; G335-K339 WeakPolarHBondContact O-CD 3.37Å; G335-K339 VanDerWaalsContact O-CG 3.29Å; G335-K339 WeakPolarHBondContact O-CG 3.36Å; G335-K339 PolarHBondContact O-N 3.34Å
336	Y	95.3	Very high	94.9	Very high	52 Å²	52	52.7 Å²	52.7	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-74.4	-49.1	170.5	160.9	-102.5	0	0	0	110.9	G305 M309 A333 V334 V338 K339 Q340	G305-Y336 PolarHBondContact O-OH 3.46Å; G305-Y336 VanDerWaalsContact O-OH 3.13Å; M309-Y336 HydrophobicContact CE-CE1 4.26Å; A333-Y336 WeakPolarHBondContact O-CA 3.42Å; A333-Y336 WeakPolarHBondContact O-CB 3.32Å; A333-Y336 PolarHBondContact O-N 2.89Å; V334-Y336 VanDerWaalsContact C-N 3.28Å; V334-Y336 PolarHBondContact O-N 2.94Å; Y336-V338 PolarHBondContact O-N 2.89Å; Y336-K339 WeakPolarHBondContact O-CB 3.5Å; Y336-K339 PolarHBondContact O-N 3.06Å; Y336-K339 VanDerWaalsContact O-N 3.15Å; Y336-Q340 HydrophobicContact CD2-CG 4.1Å; Y336-Q340 HydrophobicContact CE1-CG 4.12Å; Y336-Q340 HydrophobicContact CE2-CG 3.66Å; Y336-Q340 WeakPolarHBondContact O-CG 3.38Å; Y336-Q340 PolarHBondContact O-N 3.03Å; Y336-Q340 PolarHBondContact O-NE2 3.02Å
337	F	97.3	Very high	94.8	Very high	10 Å²	10	60 Å²	60	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-42	-179.6	-75.2	-69.7	0	0	0	112	C293 M309 T327 A329 A333 V334 K339 Q340 G341 F342 M366	C293-F337 HydrophobicContact CB-CZ 4.45Å; M309-F337 HydrophobicContact CE-CD1 4.44Å; M309-F337 HydrophobicContact CE-CE1 4.17Å; T327-F337 HydrophobicContact CG2-CD1 3.93Å; T327-F337 HydrophobicContact CG2-CD2 4.49Å; T327-F337 HydrophobicContact CG2-CE1 3.81Å; T327-F337 HydrophobicContact CG2-CE2 4.37Å; T327-F337 HydrophobicContact CG2-CG 4.28Å; T327-F337 HydrophobicContact CG2-CZ 4.04Å; A329-F337 HydrophobicContact CB-CD2 3.5Å; A329-F337 HydrophobicContact CB-CE2 3.78Å; A329-F337 HydrophobicContact CB-CG 4.43Å; A333-F337 HydrophobicContact CB-CD2 3.88Å; A333-F337 HydrophobicContact CB-CE2 3.73Å; A333-F337 VanDerWaalsContact O-CD2 3.29Å; A333-F337 WeakPolarHBondContact O-CD2 3.33Å; A333-F337 PolarHBondContact O-N 2.78Å; V334-F337 PolarHBondContact O-N 2.67Å; F337-K339 VanDerWaalsContact C-N 3.33Å; F337-K339 PolarHBondContact O-N 3.13Å; F337-Q340 CarbonylContact O-C 3.6Å; F337-Q340 WeakPolarHBondContact O-CA 3.33Å; F337-Q340 WeakPolarHBondContact O-CB 3.4Å; F337-Q340 PolarHBondContact O-N 3.33Å; F337-G341 PolarHBondContact O-N 3.38Å; F337-F342 HydrophobicContact CB-CB 3.92Å; F337-F342 HydrophobicContact CB-CD2 4.16Å; F337-F342 HydrophobicContact CB-CG 4Å; F337-F342 HydrophobicContact CD1-CD1 4.23Å; F337-F342 AromaticContact CD1-CD2 3.84Å; F337-F342 HydrophobicContact CD1-CD2 3.84Å; F337-F342 HydrophobicContact CD1-CE1 4.26Å; F337-F342 AromaticContact CD1-CE2 3.87Å; F337-F342 HydrophobicContact CD1-CE2 3.87Å; F337-F342 HydrophobicContact CD1-CG 4.04Å; F337-F342 HydrophobicContact CD1-CZ 4.09Å; F337-F342 HydrophobicContact CE1-CZ 4.41Å; F337-F342 HydrophobicContact CG-CG 4.47Å; F337-F342 WeakPolarHBondContact O-CB 3.41Å; F337-F342 WeakPolarHBondContact O-CD2 3.38Å; F337-F342 PolarHBondContact O-N 3.19Å; F337-M366 HydrophobicContact CB-CE 4.11Å; F337-M366 HydrophobicContact CB-SD 3.87Å
338	V	97.2	Very high	94.7	Very high	77 Å²	77	60.9 Å²	60.9	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-45.6	172.1	172.6	0	0	0	0	111.4	V334 Y336 Q340 G341 F342 M366	V334-V338 HydrophobicContact CG1-CG2 4.16Å; V334-V338 WeakPolarHBondContact O-CG2 3.39Å; V334-V338 PolarHBondContact O-N 3.49Å; Y336-V338 PolarHBondContact O-N 2.89Å; V338-Q340 PolarHBondContact O-N 3.14Å; V338-G341 PolarHBondContact O-N 2.68Å; V338-F342 WeakPolarHBondContact CA-O 3.35Å; V338-M366 HydrophobicContact CG2-CE 3.7Å
339	K	93.9	Very high	94.6	Very high	173 Å²	173	65.3 Å²	65.3	75%	0.752	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-22.6	174.7	-73	172.7	-177.8	176.2	0	113.4	G335 Y336 F337 G341	G335-K339 WeakPolarHBondContact O-CD 3.37Å; G335-K339 VanDerWaalsContact O-CG 3.29Å; G335-K339 WeakPolarHBondContact O-CG 3.36Å; G335-K339 PolarHBondContact O-N 3.34Å; Y336-K339 WeakPolarHBondContact O-CB 3.5Å; Y336-K339 PolarHBondContact O-N 3.06Å; Y336-K339 VanDerWaalsContact O-N 3.15Å; F337-K339 VanDerWaalsContact C-N 3.33Å; F337-K339 PolarHBondContact O-N 3.13Å; K339-G341 VanDerWaalsContact C-N 3.28Å
340	Q	95.4	Very high	94.6	Very high	13 Å²	13	71.1 Å²	71.1	6%	0.061	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	9.4	172.3	-55.5	-30	-70.9	0	0	112.7	T306 M309 K313 Y336 F337 V338 F342	T306-Q340 VanDerWaalsContact CG2-OE1 3.24Å; M309-Q340 HydrophobicContact CB-CG 4.23Å; M309-Q340 HydrophobicContact CE-CG 4.35Å; M309-Q340 HydrophobicContact CG-CB 3.95Å; M309-Q340 HydrophobicContact CG-CG 3.91Å; K313-Q340 PolarHBondContact NZ-O 3.17Å; Y336-Q340 HydrophobicContact CD2-CG 4.1Å; Y336-Q340 HydrophobicContact CE1-CG 4.12Å; Y336-Q340 HydrophobicContact CE2-CG 3.66Å; Y336-Q340 WeakPolarHBondContact O-CG 3.38Å; Y336-Q340 PolarHBondContact O-N 3.03Å; Y336-Q340 PolarHBondContact O-NE2 3.02Å; F337-Q340 CarbonylContact O-C 3.6Å; F337-Q340 WeakPolarHBondContact O-CA 3.33Å; F337-Q340 WeakPolarHBondContact O-CB 3.4Å; F337-Q340 PolarHBondContact O-N 3.33Å; V338-Q340 PolarHBondContact O-N 3.14Å; Q340-F342 HydrophobicContact CB-CD2 3.98Å; Q340-F342 HydrophobicContact CB-CE2 4.16Å
341	G	96.1	Very high	94.8	Very high	49 Å²	49	77.7 Å²	77.7	51%	0.505	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	30.3	-178.9	0	0	0	0	0	113.9	F337 V338 K339 C368	F337-G341 PolarHBondContact O-N 3.38Å; V338-G341 PolarHBondContact O-N 2.68Å; K339-G341 VanDerWaalsContact C-N 3.28Å; G341-C368 PolarHBondContact O-SG 3.21Å
342	F	98	Very high	95	Very high	7 Å²	7	73.2 Å²	73.2	3%	0.031	38%	0.376	C	S	.	.			trans	-88.4	142.1	163.5	-70.5	-111.5	0	0	0	110.3	I290 M309 F325 T327 F337 V338 Q340 M366 E367 C368	I290-F342 HydrophobicContact CD1-CE1 4.36Å; I290-F342 HydrophobicContact CD1-CZ 3.76Å; M309-F342 HydrophobicContact CE-CE2 3.92Å; M309-F342 HydrophobicContact CE-CZ 4.26Å; M309-F342 HydrophobicContact SD-CE2 4.06Å; M309-F342 HydrophobicContact SD-CZ 4.41Å; F325-F342 HydrophobicContact CB-CE1 3.88Å; F325-F342 HydrophobicContact CB-CZ 3.88Å; T327-F342 HydrophobicContact CG2-CD1 3.81Å; T327-F342 HydrophobicContact CG2-CE1 3.73Å; F337-F342 HydrophobicContact CB-CB 3.92Å; F337-F342 HydrophobicContact CB-CD2 4.16Å; F337-F342 HydrophobicContact CB-CG 4Å; F337-F342 HydrophobicContact CD1-CD1 4.23Å; F337-F342 AromaticContact CD1-CD2 3.84Å; F337-F342 HydrophobicContact CD1-CD2 3.84Å; F337-F342 HydrophobicContact CD1-CE1 4.26Å; F337-F342 AromaticContact CD1-CE2 3.87Å; F337-F342 HydrophobicContact CD1-CE2 3.87Å; F337-F342 HydrophobicContact CD1-CG 4.04Å; F337-F342 HydrophobicContact CD1-CZ 4.09Å; F337-F342 HydrophobicContact CE1-CZ 4.41Å; F337-F342 HydrophobicContact CG-CG 4.47Å; F337-F342 WeakPolarHBondContact O-CB 3.41Å; F337-F342 WeakPolarHBondContact O-CD2 3.38Å; F337-F342 PolarHBondContact O-N 3.19Å; V338-F342 WeakPolarHBondContact CA-O 3.35Å; Q340-F342 HydrophobicContact CB-CD2 3.98Å; Q340-F342 HydrophobicContact CB-CE2 4.16Å; F342-M366 HydrophobicContact CB-CB 4.25Å; F342-M366 HydrophobicContact CB-CE 3.81Å; F342-M366 HydrophobicContact CD1-CB 4.19Å; F342-E367 CarbonylContact C-O 3.54Å; F342-E367 WeakPolarHBondContact CA-O 3.48Å; F342-C368 HydrophobicContact CB-CB 4.33Å; F342-C368 HydrophobicContact CD1-CB 3.54Å; F342-C368 HydrophobicContact CD2-CB 3.54Å; F342-C368 HydrophobicContact CE1-CB 3.52Å; F342-C368 HydrophobicContact CE2-CB 3.52Å; F342-C368 HydrophobicContact CG-CB 3.54Å; F342-C368 HydrophobicContact CZ-CB 3.5Å
343	T	97.6	Very high	95.3	Very high	45 Å²	45	69.6 Å²	69.6	28%	0.276	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-107	159.3	171.9	174.6	0	0	0	0	110.6	E345 Y347 M366 E367	T343-E345 WeakPolarHBondContact CG2-O 3.49Å; T343-E345 PolarHBondContact OG1-N 3.4Å; T343-Y347 HydrophobicContact CG2-CD2 4.33Å; T343-Y347 HydrophobicContact CG2-CE2 4.01Å; T343-M366 CarbonylContact O-C 3.59Å; T343-M366 VanDerWaalsContact O-CA 3.22Å; T343-M366 WeakPolarHBondContact O-CA 3.39Å; T343-M366 WeakPolarHBondContact O-CB 3.43Å; T343-E367 HydrophobicContact CG2-CB 4.34Å; T343-E367 WeakPolarHBondContact CG2-O 3.37Å; T343-E367 PolarHBondContact N-O 2.67Å; T343-E367 PolarHBondContact O-N 2.68Å
344	K	95.4	Very high	95.3	Very high	129 Å²	129	74 Å²	74	56%	0.561	37%	0.373	S	S	*	.	S	Bend	trans	-82.9	-21.4	170.5	-57.9	-178.7	173.6	-177.4	0	112.2	L364 M366	K344-L364 HydrophobicContact CD-CD2 3.8Å; K344-L364 HydrophobicContact CG-CD2 3.82Å; K344-M366 HydrophobicContact CG-CE 4.27Å
345	E	95.6	Very high	95.2	Very high	116 Å²	116	76.5 Å²	76.5	54%	0.542	40%	0.403	S	S	.	.	S	Bend	trans	-82.8	126.3	175.7	-67.6	176.1	-158	0	0	108.9	T343 Y347	T343-E345 WeakPolarHBondContact CG2-O 3.49Å; T343-E345 PolarHBondContact OG1-N 3.4Å; E345-Y347 HydrophobicContact CB-CE1 4.09Å; E345-Y347 HydrophobicContact CB-CE2 4.26Å; E345-Y347 PolarHBondContact OE2-OH 3.33Å
346	I	96	Very high	95.1	Very high	53 Å²	53	78.2 Å²	78.2	27%	0.272	40%	0.399	S	S	.	.			trans	-96.4	110	179.1	-47.8	-56.3	0	0	0	107.7	L326 L348 W353 L365 E367	L326-I346 HydrophobicContact CD2-CD1 4.36Å; L326-I346 HydrophobicContact CD2-CG2 4.2Å; I346-L348 HydrophobicContact CG2-CB 4.46Å; I346-W353 HydrophobicContact CG2-CZ2 4.32Å; I346-L365 HydrophobicContact CD1-CD2 4.31Å; I346-L365 HydrophobicContact CD1-CG 3.87Å; I346-L365 HydrophobicContact CG1-CD2 4.05Å; I346-L365 HydrophobicContact CG1-CG 4.13Å; I346-E367 WeakPolarHBondContact CA-OE2 3.23Å; I346-E367 HydrophobicContact CD1-CB 3.73Å; I346-E367 WeakPolarHBondContact CG2-OE2 3.41Å
347	Y	95.7	Very high	94.9	Very high	156 Å²	156	76.3 Å²	76.3	61%	0.612	39%	0.392	S	S	*	.			trans	-93	-19.2	177.5	-56.8	-63.6	0	0	0	112.1	T343 E345 E349 E367	T343-Y347 HydrophobicContact CG2-CD2 4.33Å; T343-Y347 HydrophobicContact CG2-CE2 4.01Å; E345-Y347 HydrophobicContact CB-CE1 4.09Å; E345-Y347 HydrophobicContact CB-CE2 4.26Å; E345-Y347 PolarHBondContact OE2-OH 3.33Å; Y347-E349 PolarHBondContact O-N 3.26Å; Y347-E367 PolarHBondContact N-OE2 2.98Å
348	L	94.3	Very high	94.5	Very high	24 Å²	24	79.5 Å²	79.5	13%	0.126	41%	0.406	C	S	.	.	S	Bend	trans	-66.2	123	173.3	-170.9	66.2	0	0	0	110.1	F287 H324 L326 I346 K350 V352 W353 E367	F287-L348 HydrophobicContact CB-CD2 4.09Å; F287-L348 HydrophobicContact CD1-CD2 4.22Å; F287-L348 HydrophobicContact CG-CD2 4.22Å; H324-L348 HydrophobicContact CB-CD2 4.42Å; L326-L348 HydrophobicContact CD1-CD2 4.21Å; I346-L348 HydrophobicContact CG2-CB 4.46Å; L348-K350 PolarHBondContact O-N 3.2Å; L348-V352 HydrophobicContact CD1-CB 4.47Å; L348-V352 HydrophobicContact CD1-CG1 4.19Å; L348-V352 HydrophobicContact CD2-CG1 4.25Å; L348-V352 HydrophobicContact CG-CB 4.32Å; L348-V352 HydrophobicContact CG-CG1 4.29Å; L348-W353 HydrophobicContact CD2-CB 4.35Å; L348-W353 PolarHBondContact O-NE1 3.12Å; L348-E367 PolarHBondContact N-OE2 3.28Å
349	E	95.2	Very high	94	Very high	147 Å²	147	81.2 Å²	81.2	69%	0.687	41%	0.412	S	S	*	.			trans	-49.2	131.7	-178.4	-69.8	175.3	-174.6	0	0	111.8	Y347 D351 V352 W353	Y347-E349 PolarHBondContact O-N 3.26Å; E349-D351 PolarHBondContact O-N 3.5Å; E349-D351 VanDerWaalsContact O-N 3.17Å; E349-V352 HydrophobicContact CB-CG2 3.96Å; E349-V352 VanDerWaalsContact O-CB 3.32Å; E349-V352 WeakPolarHBondContact O-CB 3.26Å; E349-V352 PolarHBondContact O-N 2.82Å; E349-W353 VanDerWaalsContact O-CD1 3.25Å
350	K	93.7	Very high	93.6	Very high	122 Å²	122	74.7 Å²	74.7	53%	0.53	38%	0.383	S	S	.	.	H	α-helix	trans	-55	-40.5	-171.6	-172.7	176.4	177.8	-174.7	0	112.7	L348 V352 W353 H354	L348-K350 PolarHBondContact O-N 3.2Å; K350-V352 PolarHBondContact O-N 3.48Å; K350-W353 HydrophobicContact CG-CZ2 4.23Å; K350-W353 PolarHBondContact O-N 3.14Å; K350-H354 HydrophobicContact CG-CB 3.86Å; K350-H354 WeakPolarHBondContact O-CB 3.47Å; K350-H354 PolarHBondContact O-N 2.79Å
351	D	94.1	Very high	92.9	Very high	149 Å²	149	81 Å²	81	80%	0.797	42%	0.417	S	S	*	.	H	α-helix	trans	-67.3	-16.1	-177.8	-60	-20.4	0	0	0	113.3	E349	E349-D351 PolarHBondContact O-N 3.5Å; E349-D351 VanDerWaalsContact O-N 3.17Å
352	V	94.1	Very high	92.1	Very high	37 Å²	37	81.8 Å²	81.8	22%	0.224	43%	0.426	C	S	.	.	H	α-helix	trans	-78.4	-31.2	176.9	-179.6	0	0	0	0	111.9	Q285 F287 L348 E349 K350	Q285-V352 HydrophobicContact CB-CG1 3.87Å; Q285-V352 HydrophobicContact CG-CG1 4.29Å; Q285-V352 WeakPolarHBondContact CG-O 3.38Å; F287-V352 HydrophobicContact CD1-CG1 4.4Å; F287-V352 WeakPolarHBondContact CE1-O 3.38Å; L348-V352 HydrophobicContact CD1-CB 4.47Å; L348-V352 HydrophobicContact CD1-CG1 4.19Å; L348-V352 HydrophobicContact CD2-CG1 4.25Å; L348-V352 HydrophobicContact CG-CB 4.32Å; L348-V352 HydrophobicContact CG-CG1 4.29Å; E349-V352 HydrophobicContact CB-CG2 3.96Å; E349-V352 VanDerWaalsContact O-CB 3.32Å; E349-V352 WeakPolarHBondContact O-CB 3.26Å; E349-V352 PolarHBondContact O-N 2.82Å; K350-V352 PolarHBondContact O-N 3.48Å
353	W	94.8	Very high	91.6	Very high	29 Å²	29	82.3 Å²	82.3	11%	0.11	43%	0.433	C	S	.	.	H	α-helix	trans	-122.8	-21.9	-171.8	64.2	-98.7	0	0	0	115.5	F287 L326 I346 L348 E349 K350 G355 F356 I357 L365	F287-W353 HydrophobicContact CD1-CB 4.45Å; F287-W353 HydrophobicContact CE1-CB 3.9Å; F287-W353 HydrophobicContact CZ-CB 3.96Å; L326-W353 HydrophobicContact CD1-CB 3.39Å; L326-W353 HydrophobicContact CD1-CD2 4.01Å; L326-W353 HydrophobicContact CD1-CE3 4.48Å; L326-W353 HydrophobicContact CD1-CG 3.53Å; I346-W353 HydrophobicContact CG2-CZ2 4.32Å; L348-W353 HydrophobicContact CD2-CB 4.35Å; L348-W353 PolarHBondContact O-NE1 3.12Å; E349-W353 VanDerWaalsContact O-CD1 3.25Å; K350-W353 HydrophobicContact CG-CZ2 4.23Å; K350-W353 PolarHBondContact O-N 3.14Å; W353-G355 PolarHBondContact O-N 3.04Å; W353-F356 WeakPolarHBondContact O-CB 3.49Å; W353-F356 PolarHBondContact O-N 3.14Å; W353-F356 VanDerWaalsContact O-N 3.08Å; W353-I357 HydrophobicContact CE3-CD1 3.52Å; W353-I357 HydrophobicContact CE3-CG1 3.95Å; W353-I357 HydrophobicContact CZ3-CD1 3.74Å; W353-I357 HydrophobicContact CZ3-CG1 4.3Å; W353-L365 HydrophobicContact CH2-CD2 3.57Å; W353-L365 HydrophobicContact CZ2-CD2 4.05Å; W353-L365 HydrophobicContact CZ3-CD2 3.86Å
354	H	92.6	Very high	91.5	Very high	104 Å²	104	83 Å²	83	48%	0.481	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	131.6	-176.5	-172.7	59.1	0	0	0	111.2	K350 F356	K350-H354 HydrophobicContact CG-CB 3.86Å; K350-H354 WeakPolarHBondContact O-CB 3.47Å; K350-H354 PolarHBondContact O-N 2.79Å; H354-F356 PolarHBondContact O-N 3Å
355	G	91.7	Very high	91.5	Very high	73 Å²	73	78 Å²	78	75%	0.753	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-7.5	-174.4	0	0	0	0	0	115.6	W353	W353-G355 PolarHBondContact O-N 3.04Å
356	F	92.2	Very high	91.6	Very high	78 Å²	78	72.5 Å²	72.5	34%	0.342	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-51.4	171.2	-70.6	-88.7	0	0	0	111.6	Y282 Q285 F287 W353 H354	Y282-F356 HydrophobicContact CD1-CB 4.23Å; Y282-F356 AromaticContact CD1-CD1 3.71Å; Y282-F356 HydrophobicContact CD1-CD1 3.71Å; Y282-F356 HydrophobicContact CD1-CG 4.34Å; Y282-F356 HydrophobicContact CE1-CB 3.87Å; Y282-F356 AromaticContact CE1-CD1 3.8Å; Y282-F356 HydrophobicContact CE1-CD1 3.8Å; Y282-F356 HydrophobicContact CE1-CG 4.32Å; Y282-F356 PolarHBondContact OH-O 2.59Å; Q285-F356 HydrophobicContact CG-CE1 4.33Å; Q285-F356 HydrophobicContact CG-CE2 4.18Å; Q285-F356 HydrophobicContact CG-CZ 4.08Å; Q285-F356 VanDerWaalsContact NE2-CZ 3.32Å; F287-F356 HydrophobicContact CZ-CB 3.92Å; W353-F356 WeakPolarHBondContact O-CB 3.49Å; W353-F356 PolarHBondContact O-N 3.14Å; W353-F356 VanDerWaalsContact O-N 3.08Å; H354-F356 PolarHBondContact O-N 3Å
357	I	92.3	Very high	91.7	Very high	12 Å²	12	70.1 Å²	70.1	6%	0.062	38%	0.376	C	S	.	.	S	Bend	trans	-74.2	161.4	179.7	70.1	177	0	0	0	112	F287 E289 L326 Y328 W353 L365	F287-I357 HydrophobicContact CE2-CG2 3.51Å; F287-I357 HydrophobicContact CZ-CG2 3.85Å; E289-I357 HydrophobicContact CB-CG2 4.13Å; E289-I357 HydrophobicContact CG-CB 4.29Å; E289-I357 HydrophobicContact CG-CG2 4.13Å; L326-I357 HydrophobicContact CD1-CD1 4.44Å; L326-I357 HydrophobicContact CD1-CG2 4.29Å; Y328-I357 HydrophobicContact CE2-CD1 3.89Å; W353-I357 HydrophobicContact CE3-CD1 3.52Å; W353-I357 HydrophobicContact CE3-CG1 3.95Å; W353-I357 HydrophobicContact CZ3-CD1 3.74Å; W353-I357 HydrophobicContact CZ3-CG1 4.3Å; I357-L365 HydrophobicContact CD1-CD1 3.75Å; I357-L365 HydrophobicContact CD1-CD2 4.33Å
358	K	89.2	Confident	91.8	Very high	77 Å²	77	62.7 Å²	62.7	34%	0.335	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-89.5	127.3	171.1	-62.9	-175.1	177.6	-61.1	0	110.7	Y252 L256 E289 Y328 Y360	Y252-K358 WeakPolarHBondContact OH-CD 3.03Å; L256-K358 HydrophobicContact CD1-CD 4.47Å; E289-K358 PolarHBondContact OE1-N 2.95Å; Y328-K358 VanDerWaalsContact CD2-O 3.27Å; Y328-K358 WeakPolarHBondContact CD2-O 3.4Å; Y328-K358 VanDerWaalsContact CE2-O 3.25Å; Y328-K358 WeakPolarHBondContact CE2-O 3.5Å; K358-Y360 HydrophobicContact CB-CD2 4.42Å; K358-Y360 HydrophobicContact CB-CE2 3.75Å; K358-Y360 WeakPolarHBondContact O-CD2 3.38Å; K358-Y360 VanDerWaalsContact O-CE2 3.27Å; K358-Y360 WeakPolarHBondContact O-CE2 3.45Å
359	D	85.4	Confident	91.9	Very high	113 Å²	113	68.7 Å²	68.7	60%	0.604	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-74.7	136.1	168.9	-51.4	-56.9	0	0	0	109.8	Y328	Y328-D359 PolarHBondContact OH-OD1 2.61Å
360	Y	85.2	Confident	92.1	Very high	35 Å²	35	62.1 Å²	62.1	14%	0.137	34%	0.341	C	S	.	.			trans	-125.1	120.1	175.6	-62.4	-96.3	0	0	0	109.6	M248 Y252 Y328 K358 G362 G363	M248-Y360 HydrophobicContact CE-CD1 3.82Å; M248-Y360 HydrophobicContact CE-CE1 3.88Å; M248-Y360 HydrophobicContact SD-CE1 4.31Å; Y252-Y360 HydrophobicContact CE1-CE1 4Å; Y252-Y360 AromaticContact CZ-CE1 3.86Å; Y252-Y360 VanDerWaalsContact OH-CE1 3.32Å; Y252-Y360 WeakPolarHBondContact OH-CE1 3.45Å; Y252-Y360 VanDerWaalsContact OH-CZ 3.27Å; Y252-Y360 PolarHBondContact OH-OH 2.87Å; Y328-Y360 AromaticContact CD2-CD2 3.72Å; Y328-Y360 HydrophobicContact CD2-CD2 3.72Å; Y328-Y360 HydrophobicContact CD2-CE2 4.4Å; Y328-Y360 AromaticContact CG-CD2 3.77Å; Y328-Y360 HydrophobicContact CG-CD2 3.77Å; Y328-Y360 HydrophobicContact CG-CG 4.46Å; K358-Y360 HydrophobicContact CB-CD2 4.42Å; K358-Y360 HydrophobicContact CB-CE2 3.75Å; K358-Y360 WeakPolarHBondContact O-CD2 3.38Å; K358-Y360 VanDerWaalsContact O-CE2 3.27Å; K358-Y360 WeakPolarHBondContact O-CE2 3.45Å; Y360-G362 PolarHBondContact O-N 3.48Å; Y360-G363 PolarHBondContact O-N 3.32Å
361	D	81	Confident	92.2	Very high	146 Å²	146	59.1 Å²	59.1	78%	0.781	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.1	177.1	-64.1	-42.8	0	0	0	111	V30 G363	V30-D361 WeakPolarHBondContact CG1-O 3.25Å; D361-G363 PolarHBondContact O-N 3.37Å
362	G	80.8	Confident	92.3	Very high	66 Å²	66	56.9 Å²	56.9	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	2	178.9	0	0	0	0	0	115.9	Y360	Y360-G362 PolarHBondContact O-N 3.48Å
363	G	87.5	Confident	92.2	Very high	18 Å²	18	63.9 Å²	63.9	19%	0.186	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-86.6	145.9	165.8	0	0	0	0	0	111.8	Y328 A329 Y360 D361	Y328-G363 WeakPolarHBondContact CD1-O 3.43Å; A329-G363 WeakPolarHBondContact O-CA 3.49Å; Y360-G363 PolarHBondContact O-N 3.32Å; D361-G363 PolarHBondContact O-N 3.37Å
364	L	93.8	Very high	92.2	Very high	59 Å²	59	65.1 Å²	65.1	31%	0.309	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.1	169.5	-177.3	61.7	0	0	0	109.6	A329 V334 K344 M366	A329-L364 PolarHBondContact N-O 3.02Å; A329-L364 PolarHBondContact O-N 2.83Å; V334-L364 HydrophobicContact CG1-CD2 4.45Å; V334-L364 HydrophobicContact CG2-CB 4.38Å; V334-L364 HydrophobicContact CG2-CD2 3.95Å; K344-L364 HydrophobicContact CD-CD2 3.8Å; K344-L364 HydrophobicContact CG-CD2 3.82Å; L364-M366 HydrophobicContact CG-CG 4.27Å; L364-M366 PolarHBondContact O-N 3.16Å
365	L	96.1	Very high	92.2	Very high	24 Å²	24	62.3 Å²	62.3	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.1	171.8	-176.8	60.5	0	0	0	109.6	L326 T327 Y328 I346 W353 I357	L326-L365 HydrophobicContact CB-CD1 4.42Å; T327-L365 CarbonylContact O-C 3.39Å; T327-L365 WeakPolarHBondContact O-CA 3.26Å; Y328-L365 HydrophobicContact CD1-CB 4.42Å; Y328-L365 HydrophobicContact CD2-CD1 4.09Å; Y328-L365 HydrophobicContact CE1-CB 4Å; Y328-L365 HydrophobicContact CE2-CB 4.47Å; Y328-L365 HydrophobicContact CE2-CD1 3.84Å; I346-L365 HydrophobicContact CD1-CD2 4.31Å; I346-L365 HydrophobicContact CD1-CG 3.87Å; I346-L365 HydrophobicContact CG1-CD2 4.05Å; I346-L365 HydrophobicContact CG1-CG 4.13Å; W353-L365 HydrophobicContact CH2-CD2 3.57Å; W353-L365 HydrophobicContact CZ2-CD2 4.05Å; W353-L365 HydrophobicContact CZ3-CD2 3.86Å; I357-L365 HydrophobicContact CD1-CD1 3.75Å; I357-L365 HydrophobicContact CD1-CD2 4.33Å
366	M	97.5	Very high	92.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.2	-179.6	-64.8	-170.9	75	0	0	111.3	L326 T327 A329 V334 F337 V338 F342 T343 K344 L364	L326-M366 WeakPolarHBondContact CA-O 3.13Å; T327-M366 HydrophobicContact CG2-CB 4.02Å; T327-M366 PolarHBondContact N-O 2.83Å; T327-M366 PolarHBondContact O-N 3.23Å; A329-M366 HydrophobicContact CB-CG 4.34Å; A329-M366 HydrophobicContact CB-SD 3.79Å; V334-M366 HydrophobicContact CB-SD 4.4Å; V334-M366 HydrophobicContact CG1-CE 4.32Å; V334-M366 HydrophobicContact CG1-SD 4.12Å; V334-M366 HydrophobicContact CG2-SD 4.22Å; F337-M366 HydrophobicContact CB-CE 4.11Å; F337-M366 HydrophobicContact CB-SD 3.87Å; V338-M366 HydrophobicContact CG2-CE 3.7Å; F342-M366 HydrophobicContact CB-CB 4.25Å; F342-M366 HydrophobicContact CB-CE 3.81Å; F342-M366 HydrophobicContact CD1-CB 4.19Å; T343-M366 CarbonylContact O-C 3.59Å; T343-M366 VanDerWaalsContact O-CA 3.22Å; T343-M366 WeakPolarHBondContact O-CA 3.39Å; T343-M366 WeakPolarHBondContact O-CB 3.43Å; K344-M366 HydrophobicContact CG-CE 4.27Å; L364-M366 HydrophobicContact CG-CG 4.27Å; L364-M366 PolarHBondContact O-N 3.16Å
367	E	97.9	Very high	92.4	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.014	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.9	179.7	-176.6	-173.5	142.7	0	0	111.6	H324 F325 L326 F342 T343 I346 Y347 L348	H324-E367 IonicContact CD2-OE1 3.64Å; H324-E367 PolarHBondContact CD2-OE1 3.25Å; H324-E367 VanDerWaalsContact CD2-OE1 3.26Å; H324-E367 IonicContact NE2-OE1 3.9Å; F325-E367 CarbonylContact O-C 3.42Å; F325-E367 WeakPolarHBondContact O-CA 3.39Å; L326-E367 HydrophobicContact CD2-CB 3.83Å; L326-E367 HydrophobicContact CD2-CG 3.99Å; F342-E367 CarbonylContact C-O 3.54Å; F342-E367 WeakPolarHBondContact CA-O 3.48Å; T343-E367 HydrophobicContact CG2-CB 4.34Å; T343-E367 WeakPolarHBondContact CG2-O 3.37Å; T343-E367 PolarHBondContact N-O 2.67Å; T343-E367 PolarHBondContact O-N 2.68Å; I346-E367 WeakPolarHBondContact CA-OE2 3.23Å; I346-E367 HydrophobicContact CD1-CB 3.73Å; I346-E367 WeakPolarHBondContact CG2-OE2 3.41Å; Y347-E367 PolarHBondContact N-OE2 2.98Å; L348-E367 PolarHBondContact N-OE2 3.28Å
368	C	98.2	Very high	92.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.5	162.3	-176.2	0	0	0	0	111.2	K313 H324 F325 G341 F342	K313-C368 VanDerWaalsContact CE-SG 3.54Å; K313-C368 PolarHBondContact NZ-SG 2.81Å; H324-C368 CarbonylContact C-O 3.59Å; H324-C368 VanDerWaalsContact CA-O 3.31Å; H324-C368 WeakPolarHBondContact CA-O 3.42Å; F325-C368 HydrophobicContact CB-CB 4.4Å; F325-C368 PolarHBondContact N-O 3Å; F325-C368 PolarHBondContact O-N 3.22Å; G341-C368 PolarHBondContact O-SG 3.21Å; F342-C368 HydrophobicContact CB-CB 4.33Å; F342-C368 HydrophobicContact CD1-CB 3.54Å; F342-C368 HydrophobicContact CD2-CB 3.54Å; F342-C368 HydrophobicContact CE1-CB 3.52Å; F342-C368 HydrophobicContact CE2-CB 3.52Å; F342-C368 HydrophobicContact CG-CB 3.54Å; F342-C368 HydrophobicContact CZ-CB 3.5Å
369	K	97.7	Very high	92.4	Very high	150 Å²	150	57.8 Å²	57.8	65%	0.652	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.3	167.7	-174	167.6	-176.6	171.6	0	110.3
370	I	97.4	Very high	92.5	Very high	8 Å²	8	53 Å²	53	4%	0.041	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-87.1	128.1	178.5	-49.4	174.7	0	0	0	108.5	K313 A316 R317 T323 F325 Y376	K313-I370 HydrophobicContact CB-CG2 4.33Å; A316-I370 HydrophobicContact CB-CD1 4.17Å; R317-I370 HydrophobicContact CB-CG2 4.13Å; T323-I370 PolarHBondContact O-N 3.04Å; F325-I370 HydrophobicContact CD2-CD1 3.71Å; F325-I370 HydrophobicContact CD2-CG1 4.03Å; F325-I370 HydrophobicContact CE2-CD1 3.56Å; F325-I370 HydrophobicContact CE2-CG1 4.27Å; F325-I370 HydrophobicContact CZ-CD1 4.35Å; I370-Y376 HydrophobicContact CG2-CE2 3.71Å
371	D	96.5	Very high	92.6	Very high	60 Å²	60	52.8 Å²	52.8	32%	0.321	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-76.3	131.7	178.7	-174.8	-79.7	0	0	0	111	R317 K373 L374 Y376	R317-D371 WeakPolarHBondContact CD-O 3.47Å; R317-D371 PolarHBondContact NH1-O 3.42Å; D371-K373 PolarHBondContact O-N 2.83Å; D371-K373 WeakPolarHBondContact OD1-CA 3.26Å; D371-K373 PolarHBondContact OD1-N 3.38Å; D371-L374 HydrophobicContact CB-CB 4.02Å; D371-L374 HydrophobicContact CB-CD1 3.7Å; D371-L374 HydrophobicContact CB-CG 3.81Å; D371-L374 PolarHBondContact OD1-N 2.84Å; D371-Y376 WeakPolarHBondContact CB-OH 3.39Å; D371-Y376 PolarHBondContact N-OH 3.15Å
372	P	95.6	Very high	93.1	Very high	102 Å²	102	47.5 Å²	47.5	66%	0.662	27%	0.268	S	S	*	.	S	Bend	trans	-70.9	-13.4	-175.4	28.4	-35.7	0	0	0	114.5
373	K	93.6	Very high	93.6	Very high	184 Å²	184	48.2 Å²	48.2	80%	0.8	26%	0.255	S	S	*	.	S	Bend	trans	-123.5	-23.2	-171.7	-65	179.8	-178.5	178.7	0	114.2	D371	D371-K373 PolarHBondContact O-N 2.83Å; D371-K373 WeakPolarHBondContact OD1-CA 3.26Å; D371-K373 PolarHBondContact OD1-N 3.38Å
374	L	93.3	Very high	93.6	Very high	55 Å²	55	51.6 Å²	51.6	29%	0.288	26%	0.263	S	S	.	.			trans	-63.8	129.3	-177	-75.1	178.3	0	0	0	112.4	R317 D371 Y376 L379 M382	R317-L374 PolarHBondContact NH1-O 3.02Å; D371-L374 HydrophobicContact CB-CB 4.02Å; D371-L374 HydrophobicContact CB-CD1 3.7Å; D371-L374 HydrophobicContact CB-CG 3.81Å; D371-L374 PolarHBondContact OD1-N 2.84Å; L374-Y376 HydrophobicContact CB-CE2 4.24Å; L374-Y376 PolarHBondContact O-N 2.73Å; L374-L379 HydrophobicContact CD2-CD2 4.35Å; L374-M382 HydrophobicContact CD2-CE 3.81Å; L374-M382 HydrophobicContact CD2-SD 3.9Å
375	P	93.6	Very high	93.4	Very high	45 Å²	45	55.4 Å²	55.4	29%	0.292	28%	0.279	S	S	.	.			trans	-80	82	173.5	33.1	-33.7	0	0	0	109.5	T377 D378 L379 M382	P375-T377 VanDerWaalsContact C-N 3.28Å; P375-T377 PolarHBondContact O-N 2.8Å; P375-D378 HydrophobicContact CB-CB 4.34Å; P375-D378 CarbonylContact O-C 3.54Å; P375-D378 VanDerWaalsContact O-C 3.29Å; P375-D378 WeakPolarHBondContact O-CA 3.25Å; P375-D378 PolarHBondContact O-N 3.26Å; P375-L379 PolarHBondContact O-N 3.32Å; P375-M382 HydrophobicContact CG-CB 4.26Å; P375-M382 HydrophobicContact CG-CG 4.48Å; P375-M382 HydrophobicContact CG-SD 4Å
376	Y	94.3	Very high	93.3	Very high	14 Å²	14	59 Å²	59	6%	0.055	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.3	-40.3	-173.3	-76.1	-77.3	0	0	0	114.1	N310 K313 I370 D371 L374 D378 L379	N310-Y376 WeakPolarHBondContact CB-O 3.36Å; N310-Y376 WeakPolarHBondContact O-CB 3.24Å; K313-Y376 HydrophobicContact CB-CD1 4.17Å; K313-Y376 HydrophobicContact CB-CD2 3.87Å; K313-Y376 HydrophobicContact CB-CE1 4.37Å; K313-Y376 HydrophobicContact CB-CE2 4.05Å; K313-Y376 HydrophobicContact CB-CG 3.94Å; K313-Y376 HydrophobicContact CD-CD1 3.78Å; K313-Y376 HydrophobicContact CD-CE1 3.46Å; K313-Y376 VanDerWaalsContact CD-CE1 3.46Å; K313-Y376 HydrophobicContact CD-CE2 4.38Å; K313-Y376 HydrophobicContact CD-CG 4.39Å; I370-Y376 HydrophobicContact CG2-CE2 3.71Å; D371-Y376 WeakPolarHBondContact CB-OH 3.39Å; D371-Y376 PolarHBondContact N-OH 3.15Å; L374-Y376 HydrophobicContact CB-CE2 4.24Å; L374-Y376 PolarHBondContact O-N 2.73Å; Y376-D378 PolarHBondContact O-N 2.91Å; Y376-L379 HydrophobicContact CD1-CD1 3.85Å
377	T	93.3	Very high	93	Very high	37 Å²	37	63.9 Å²	63.9	23%	0.227	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-74.6	-9.5	176.7	55.2	0	0	0	0	114.5	Q314 P375	Q314-T377 VanDerWaalsContact OE1-CG2 3.28Å; Q314-T377 VanDerWaalsContact OE1-N 3.14Å; Q314-T377 PolarHBondContact OE1-OG1 3.24Å; P375-T377 VanDerWaalsContact C-N 3.28Å; P375-T377 PolarHBondContact O-N 2.8Å
378	D	91.9	Very high	92.7	Very high	55 Å²	55	69.7 Å²	69.7	29%	0.294	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-129.6	22.4	178.4	-154	16.2	0	0	0	115.3	K209 P375 Y376 S380 S381 M382	K209-D378 VanDerWaalsContact NZ-CG 3.27Å; K209-D378 IonicContact NZ-OD1 2.56Å; K209-D378 PolarHBondContact NZ-OD1 3.09Å; K209-D378 IonicContact NZ-OD2 3.31Å; P375-D378 HydrophobicContact CB-CB 4.34Å; P375-D378 CarbonylContact O-C 3.54Å; P375-D378 VanDerWaalsContact O-C 3.29Å; P375-D378 WeakPolarHBondContact O-CA 3.25Å; P375-D378 PolarHBondContact O-N 3.26Å; Y376-D378 PolarHBondContact O-N 2.91Å; D378-S380 PolarHBondContact O-N 3.38Å; D378-S380 VanDerWaalsContact O-N 3.13Å; D378-S381 PolarHBondContact O-N 3.33Å; D378-S381 VanDerWaalsContact O-N 3.14Å; D378-S381 WeakPolarHBondContact OD1-CB 3.33Å; D378-S381 PolarHBondContact OD1-OG 3Å; D378-M382 PolarHBondContact O-N 3.27Å; D378-M382 VanDerWaalsContact O-N 3.12Å
379	L	90.2	Very high	92.5	Very high	39 Å²	39	72.3 Å²	72.3	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-49.7	-39.9	176.5	-86.6	163.4	0	0	0	112.5	L374 P375 Y376 M382 I383	L374-L379 HydrophobicContact CD2-CD2 4.35Å; P375-L379 PolarHBondContact O-N 3.32Å; Y376-L379 HydrophobicContact CD1-CD1 3.85Å; L379-M382 HydrophobicContact CD2-CE 3.98Å; L379-M382 PolarHBondContact O-N 3.13Å; L379-I383 WeakPolarHBondContact O-CB 3.43Å; L379-I383 WeakPolarHBondContact O-CD1 3.41Å; L379-I383 VanDerWaalsContact O-CG1 3.23Å; L379-I383 WeakPolarHBondContact O-CG1 3.45Å; L379-I383 PolarHBondContact O-N 3.06Å
380	S	86.9	Confident	92.3	Very high	13 Å²	13	69 Å²	69	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-44.9	-178.9	-174.9	0	0	0	0	112.9	D378 R384	D378-S380 PolarHBondContact O-N 3.38Å; D378-S380 VanDerWaalsContact O-N 3.13Å; S380-R384 WeakPolarHBondContact O-CG 3.28Å; S380-R384 PolarHBondContact O-N 3Å; S380-R384 VanDerWaalsContact O-N 3.1Å
381	S	88.4	Confident	91.9	Very high	29 Å²	29	70.7 Å²	70.7	20%	0.203	36%	0.358	C	S	.	.	H	α-helix	trans	-72.1	-37.5	178.1	-62.6	0	0	0	0	111.7	D378 R384 Q385	D378-S381 PolarHBondContact O-N 3.33Å; D378-S381 VanDerWaalsContact O-N 3.14Å; D378-S381 WeakPolarHBondContact OD1-CB 3.33Å; D378-S381 PolarHBondContact OD1-OG 3Å; S381-R384 PolarHBondContact O-N 3.44Å; S381-Q385 WeakPolarHBondContact O-CG 3.08Å; S381-Q385 PolarHBondContact O-N 3.45Å
382	M	91.1	Very high	91.7	Very high	36 Å²	36	71.8 Å²	71.8	18%	0.177	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-49.8	173.9	-174.6	-161.2	73.2	0	0	111.7	L374 P375 D378 L379 R384 Q385 Q386	L374-M382 HydrophobicContact CD2-CE 3.81Å; L374-M382 HydrophobicContact CD2-SD 3.9Å; P375-M382 HydrophobicContact CG-CB 4.26Å; P375-M382 HydrophobicContact CG-CG 4.48Å; P375-M382 HydrophobicContact CG-SD 4Å; D378-M382 PolarHBondContact O-N 3.27Å; D378-M382 VanDerWaalsContact O-N 3.12Å; L379-M382 HydrophobicContact CD2-CE 3.98Å; L379-M382 PolarHBondContact O-N 3.13Å; M382-R384 VanDerWaalsContact C-N 3.31Å; M382-R384 PolarHBondContact O-N 3.2Å; M382-Q385 PolarHBondContact O-N 3.24Å; M382-Q386 WeakPolarHBondContact O-CG 3.37Å; M382-Q386 PolarHBondContact O-N 3.43Å
383	I	89.9	Confident	91.5	Very high	80 Å²	80	73.9 Å²	73.9	41%	0.41	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-38.3	179.1	-69.9	165.9	0	0	0	111	L379 Q386 R387	L379-I383 WeakPolarHBondContact O-CB 3.43Å; L379-I383 WeakPolarHBondContact O-CD1 3.41Å; L379-I383 VanDerWaalsContact O-CG1 3.23Å; L379-I383 WeakPolarHBondContact O-CG1 3.45Å; L379-I383 PolarHBondContact O-N 3.06Å; I383-Q386 PolarHBondContact O-N 3.45Å; I383-R387 WeakPolarHBondContact O-CB 3.45Å; I383-R387 PolarHBondContact O-N 2.99Å
384	R	87.8	Confident	91.3	Very high	90 Å²	90	68.8 Å²	68.8	34%	0.34	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-41.6	174.3	-78.5	-178.8	168.3	-171	4.9	112.9	I202 E206 S380 S381 M382 K388	I202-R384 VanDerWaalsContact CG2-NH2 3.33Å; E206-R384 VanDerWaalsContact CD-NH2 3.34Å; E206-R384 IonicContact OE1-CZ 3.39Å; E206-R384 VanDerWaalsContact OE1-CZ 3.24Å; E206-R384 IonicContact OE1-NE 3.97Å; E206-R384 IonicContact OE1-NH1 3.52Å; E206-R384 PolarHBondContact OE1-NH1 3.44Å; E206-R384 IonicContact OE1-NH2 3.8Å; E206-R384 IonicContact OE2-CZ 3.38Å; E206-R384 IonicContact OE2-NH1 3.69Å; E206-R384 PolarHBondContact OE2-NH1 3.04Å; E206-R384 IonicContact OE2-NH2 3.95Å; E206-R384 PolarHBondContact OE2-NH2 2.88Å; S380-R384 WeakPolarHBondContact O-CG 3.28Å; S380-R384 PolarHBondContact O-N 3Å; S380-R384 VanDerWaalsContact O-N 3.1Å; S381-R384 PolarHBondContact O-N 3.44Å; M382-R384 VanDerWaalsContact C-N 3.31Å; M382-R384 PolarHBondContact O-N 3.2Å; R384-K388 WeakPolarHBondContact O-CB 3.36Å; R384-K388 PolarHBondContact O-N 3.25Å
385	Q	91.3	Very high	91	Very high	138 Å²	138	71.2 Å²	71.2	65%	0.645	34%	0.342	S	S	*	.	H	α-helix	trans	-65.1	-43	175.7	-70.4	171	14.3	0	0	111.4	S381 M382 K388 A389	S381-Q385 WeakPolarHBondContact O-CG 3.08Å; S381-Q385 PolarHBondContact O-N 3.45Å; M382-Q385 PolarHBondContact O-N 3.24Å; Q385-K388 PolarHBondContact O-N 2.99Å; Q385-A389 PolarHBondContact O-N 3.34Å
386	Q	93.2	Very high	90.8	Very high	101 Å²	101	75.3 Å²	75.3	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-48.9	175.4	-72.4	172.2	-21.1	0	0	112	M382 I383 K388 A389 I390	M382-Q386 WeakPolarHBondContact O-CG 3.37Å; M382-Q386 PolarHBondContact O-N 3.43Å; I383-Q386 PolarHBondContact O-N 3.45Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 PolarHBondContact O-N 3.43Å; Q386-A389 PolarHBondContact O-N 3.1Å; Q386-I390 WeakPolarHBondContact O-CG1 3.06Å; Q386-I390 PolarHBondContact O-N 3.44Å
387	R	90.9	Very high	90.3	Very high	101 Å²	101	80.9 Å²	80.9	38%	0.381	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-45.6	176.3	-177.6	173.6	178	173.1	1.6	111.1	T197 I383 A389 I390 D391	T197-R387 PolarHBondContact OG1-NH2 3.41Å; I383-R387 WeakPolarHBondContact O-CB 3.45Å; I383-R387 PolarHBondContact O-N 2.99Å; R387-A389 PolarHBondContact O-N 2.97Å; R387-I390 PolarHBondContact O-N 2.87Å; R387-D391 IonicContact NE-OD2 3.28Å; R387-D391 WeakPolarHBondContact O-CB 3.39Å; R387-D391 PolarHBondContact O-N 3.42Å
388	K	91.7	Very high	89.9	Confident	125 Å²	125	81.3 Å²	81.3	54%	0.543	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-46.6	176.2	179.3	-179.7	168.4	-177	0	112.1	R384 Q385 Q386 I390 D391 E392	R384-K388 WeakPolarHBondContact O-CB 3.36Å; R384-K388 PolarHBondContact O-N 3.25Å; Q385-K388 PolarHBondContact O-N 2.99Å; Q386-K388 VanDerWaalsContact C-N 3.34Å; Q386-K388 PolarHBondContact O-N 3.43Å; K388-I390 VanDerWaalsContact C-N 3.34Å; K388-I390 PolarHBondContact O-N 3.18Å; K388-D391 PolarHBondContact O-N 2.98Å; K388-E392 WeakPolarHBondContact CE-OE1 3.42Å; K388-E392 HydrophobicContact CG-CG 4.49Å; K388-E392 IonicContact NZ-OE1 3Å; K388-E392 WeakPolarHBondContact O-CB 3.49Å; K388-E392 WeakPolarHBondContact O-CG 3.06Å; K388-E392 PolarHBondContact O-N 3.39Å
389	A	94	Very high	89.3	Confident	56 Å²	56	82 Å²	82	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-37.5	179.2	0	0	0	0	0	112.5	Q385 Q386 R387 R393	Q385-A389 PolarHBondContact O-N 3.34Å; Q386-A389 PolarHBondContact O-N 3.1Å; R387-A389 PolarHBondContact O-N 2.97Å; A389-R393 PolarHBondContact O-N 3.24Å
390	I	93.5	Very high	88.8	Confident	80 Å²	80	84.1 Å²	84.1	41%	0.41	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-47.3	173.5	-67.1	166.7	0	0	0	110.5	Q386 R387 K388 E392 R393 I394	Q386-I390 WeakPolarHBondContact O-CG1 3.06Å; Q386-I390 PolarHBondContact O-N 3.44Å; R387-I390 PolarHBondContact O-N 2.87Å; K388-I390 VanDerWaalsContact C-N 3.34Å; K388-I390 PolarHBondContact O-N 3.18Å; I390-E392 VanDerWaalsContact C-N 3.29Å; I390-E392 PolarHBondContact O-N 3.02Å; I390-R393 PolarHBondContact O-N 3.46Å; I390-R393 VanDerWaalsContact O-N 3.14Å; I390-I394 HydrophobicContact CG2-CD1 3.7Å; I390-I394 HydrophobicContact CG2-CG1 4.28Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.48Å
391	D	89.1	Confident	88.4	Confident	44 Å²	44	88 Å²	88	24%	0.235	43%	0.429	C	S	.	.	H	α-helix	trans	-62.1	-35.8	178.4	-69.1	-22.8	0	0	0	111.9	R387 K388 R395	R387-D391 IonicContact NE-OD2 3.28Å; R387-D391 WeakPolarHBondContact O-CB 3.39Å; R387-D391 PolarHBondContact O-N 3.42Å; K388-D391 PolarHBondContact O-N 2.98Å; D391-R395 WeakPolarHBondContact O-CB 3.44Å; D391-R395 PolarHBondContact O-N 3.19Å; D391-R395 VanDerWaalsContact O-N 3.12Å
392	E	91.6	Very high	88.1	Confident	84 Å²	84	89.8 Å²	89.8	39%	0.393	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-46.9	171.5	-76.7	170.9	166.5	0	0	111.5	K388 I390 I394 R395 E396	K388-E392 WeakPolarHBondContact CE-OE1 3.42Å; K388-E392 HydrophobicContact CG-CG 4.49Å; K388-E392 IonicContact NZ-OE1 3Å; K388-E392 WeakPolarHBondContact O-CB 3.49Å; K388-E392 WeakPolarHBondContact O-CG 3.06Å; K388-E392 PolarHBondContact O-N 3.39Å; I390-E392 VanDerWaalsContact C-N 3.29Å; I390-E392 PolarHBondContact O-N 3.02Å; E392-I394 PolarHBondContact O-N 3.46Å; E392-R395 WeakPolarHBondContact O-CB 3.36Å; E392-R395 PolarHBondContact O-N 2.99Å; E392-E396 PolarHBondContact O-N 3.46Å
393	R	92	Very high	87.8	Confident	145 Å²	145	93.8 Å²	93.8	55%	0.547	46%	0.463	S	S	.	.	H	α-helix	trans	-68.8	-34.2	178.5	-171.5	54.7	175.3	170.9	4.6	113.5	A389 I390 R395 E396 L397	A389-R393 PolarHBondContact O-N 3.24Å; I390-R393 PolarHBondContact O-N 3.46Å; I390-R393 VanDerWaalsContact O-N 3.14Å; R393-R395 VanDerWaalsContact C-N 3.32Å; R393-E396 WeakPolarHBondContact CD-OE2 3.11Å; R393-E396 IonicContact CZ-OE2 3.95Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 3.14Å; R393-E396 PolarHBondContact NH1-OE2 3.4Å; R393-E396 PolarHBondContact O-N 2.94Å; R393-L397 HydrophobicContact CG-CD1 4.46Å; R393-L397 PolarHBondContact O-N 3.04Å
394	I	90.5	Very high	87.6	Confident	78 Å²	78	93.2 Å²	93.2	40%	0.4	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-42.1	171.8	-71.7	169.7	0	0	0	110	I390 E392 E396 L397 S398	I390-I394 HydrophobicContact CG2-CD1 3.7Å; I390-I394 HydrophobicContact CG2-CG1 4.28Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.48Å; E392-I394 PolarHBondContact O-N 3.46Å; I394-E396 VanDerWaalsContact C-N 3.27Å; I394-E396 PolarHBondContact O-N 3.3Å; I394-L397 PolarHBondContact O-N 2.83Å; I394-L397 VanDerWaalsContact O-N 3.14Å; I394-S398 WeakPolarHBondContact O-CA 3.42Å; I394-S398 WeakPolarHBondContact O-CB 3.47Å; I394-S398 PolarHBondContact O-N 3.48Å
395	R	86.9	Confident	87.4	Confident	105 Å²	105	94 Å²	94	40%	0.396	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-28.8	179.9	-169.4	-179.7	-63.6	100.2	11.9	113.8	D391 E392 R393	D391-R395 WeakPolarHBondContact O-CB 3.44Å; D391-R395 PolarHBondContact O-N 3.19Å; D391-R395 VanDerWaalsContact O-N 3.12Å; E392-R395 WeakPolarHBondContact O-CB 3.36Å; E392-R395 PolarHBondContact O-N 2.99Å; R393-R395 VanDerWaalsContact C-N 3.32Å
396	E	88.1	Confident	87	Confident	132 Å²	132	96.1 Å²	96.1	62%	0.617	48%	0.48	S	S	*	.	H	α-helix	trans	-74.7	-26	175.3	-67.8	174.1	165.4	0	0	113.3	E392 R393 I394	E392-E396 PolarHBondContact O-N 3.46Å; R393-E396 WeakPolarHBondContact CD-OE2 3.11Å; R393-E396 IonicContact CZ-OE2 3.95Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 3.14Å; R393-E396 PolarHBondContact NH1-OE2 3.4Å; R393-E396 PolarHBondContact O-N 2.94Å; I394-E396 VanDerWaalsContact C-N 3.27Å; I394-E396 PolarHBondContact O-N 3.3Å
397	L	85.2	Confident	86.4	Confident	130 Å²	130	94.4 Å²	94.4	68%	0.681	47%	0.473	S	S	*	.	H	α-helix	trans	-106.9	-20.6	-174.6	-61.8	175.4	0	0	0	113.4	R393 I394	R393-L397 HydrophobicContact CG-CD1 4.46Å; R393-L397 PolarHBondContact O-N 3.04Å; I394-L397 PolarHBondContact O-N 2.83Å; I394-L397 VanDerWaalsContact O-N 3.14Å
398	S	83.5	Confident	85.6	Confident	46 Å²	46	97.1 Å²	97.1	32%	0.322	49%	0.49	S	S	.	.			trans	-120.8	131.8	-170.3	-168.6	0	0	0	0	112.4	I394 C400	I394-S398 WeakPolarHBondContact O-CA 3.42Å; I394-S398 WeakPolarHBondContact O-CB 3.47Å; I394-S398 PolarHBondContact O-N 3.48Å; S398-C400 PolarHBondContact O-N 3.33Å; S398-C400 VanDerWaalsContact O-N 3.09Å; S398-C400 WeakPolarHBondContact OG-CB 3.47Å; S398-C400 PolarHBondContact OG-N 3.49Å
399	N	80.6	Confident	84.6	Confident	70 Å²	70	96.3 Å²	96.3	37%	0.374	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-74.9	14.3	171.8	-66.3	-26.8	0	0	0	113.1	Q401 N402 E431	N399-Q401 PolarHBondContact O-N 3.16Å; N399-Q401 VanDerWaalsContact O-N 3.13Å; N399-N402 VanDerWaalsContact O-CB 3.29Å; N399-N402 WeakPolarHBondContact O-CB 3.43Å; N399-N402 PolarHBondContact O-N 2.97Å; N399-E431 PolarHBondContact ND2-O 3.23Å
400	C	79.1	Confident	83.6	Confident	83 Å²	83	99.6 Å²	99.6	56%	0.561	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22.7	-176	64.3	0	0	0	0	114.6	S398 N402	S398-C400 PolarHBondContact O-N 3.33Å; S398-C400 VanDerWaalsContact O-N 3.09Å; S398-C400 WeakPolarHBondContact OG-CB 3.47Å; S398-C400 PolarHBondContact OG-N 3.49Å; C400-N402 VanDerWaalsContact C-N 3.33Å
401	Q	77.8	Confident	82.7	Confident	95 Å²	95	101.3 Å²	101.3	44%	0.444	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-77.9	-14.6	174.2	64.3	-177.1	-10.2	0	0	113.8	N399 V403	N399-Q401 PolarHBondContact O-N 3.16Å; N399-Q401 VanDerWaalsContact O-N 3.13Å; Q401-V403 PolarHBondContact O-N 3.47Å
402	N	83.2	Confident	82.2	Confident	66 Å²	66	102.4 Å²	102.4	35%	0.353	51%	0.507	S	S	.	.			trans	-79.6	109.2	-176.2	-63.3	-8.7	0	0	0	109.8	N399 C400 Y404	N399-N402 VanDerWaalsContact O-CB 3.29Å; N399-N402 WeakPolarHBondContact O-CB 3.43Å; N399-N402 PolarHBondContact O-N 2.97Å; C400-N402 VanDerWaalsContact C-N 3.33Å; N402-Y404 HydrophobicContact CB-CE1 4.46Å; N402-Y404 HydrophobicContact CB-CE2 3.77Å; N402-Y404 PolarHBondContact ND2-OH 3.21Å; N402-Y404 WeakPolarHBondContact O-CD2 3.43Å; N402-Y404 VanDerWaalsContact O-CE2 3.28Å; N402-Y404 WeakPolarHBondContact O-CE2 3.07Å; N402-Y404 PolarHBondContact O-N 3.01Å
403	V	85	Confident	81.6	Confident	120 Å²	120	106.8 Å²	106.8	73%	0.727	53%	0.527	S	S	*	.			trans	-81.1	105.4	172.5	-176.8	0	0	0	0	109.1	Q401	Q401-V403 PolarHBondContact O-N 3.47Å
404	Y	84.5	Confident	80.9	Confident	68 Å²	68	100 Å²	100	27%	0.267	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-78.9	145.6	176.1	-61	-83.6	0	0	0	111.2	N402 R427 G428 E431	N402-Y404 HydrophobicContact CB-CE1 4.46Å; N402-Y404 HydrophobicContact CB-CE2 3.77Å; N402-Y404 PolarHBondContact ND2-OH 3.21Å; N402-Y404 WeakPolarHBondContact O-CD2 3.43Å; N402-Y404 VanDerWaalsContact O-CE2 3.28Å; N402-Y404 WeakPolarHBondContact O-CE2 3.07Å; N402-Y404 PolarHBondContact O-N 3.01Å; Y404-R427 HydrophobicContact CD1-CB 4.33Å; Y404-R427 HydrophobicContact CD1-CG 4.04Å; Y404-R427 HydrophobicContact CE1-CG 3.99Å; Y404-G428 VanDerWaalsContact CZ-CA 3.5Å; Y404-E431 WeakPolarHBondContact CE1-OE2 3.4Å; Y404-E431 PolarHBondContact OH-OE2 3.33Å
405	P	84.3	Confident	80.4	Confident	108 Å²	108	96.8 Å²	96.8	70%	0.701	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-56	147.2	174.5	-26.1	34.9	0	0	0	113	I407	P405-I407 PolarHBondContact O-N 3.41Å
406	K	82.7	Confident	79.9	Confident	181 Å²	181	92.3 Å²	92.3	79%	0.787	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-56.9	131.8	177	-180	-178.2	176.1	-172.8	0	110.9	E408	K406-E408 PolarHBondContact O-N 3.02Å
407	I	81	Confident	79.2	Confident	65 Å²	65	87.6 Å²	87.6	33%	0.333	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-80	116.3	172.3	-57.4	176.3	0	0	0	108.8	P405 F409 I421 I426	P405-I407 PolarHBondContact O-N 3.41Å; I407-F409 HydrophobicContact CB-CE2 4.04Å; I407-F409 HydrophobicContact CB-CZ 4.22Å; I407-F409 HydrophobicContact CG2-CD1 4.46Å; I407-F409 HydrophobicContact CG2-CD2 4.31Å; I407-F409 HydrophobicContact CG2-CE1 4.01Å; I407-F409 HydrophobicContact CG2-CE2 3.84Å; I407-F409 HydrophobicContact CG2-CZ 3.68Å; I407-F409 WeakPolarHBondContact O-CD2 3.47Å; I407-F409 PolarHBondContact O-N 3.21Å; I407-I421 HydrophobicContact CG2-CD1 3.58Å; I407-I426 HydrophobicContact CD1-CB 4.48Å; I407-I426 HydrophobicContact CD1-CD1 4.36Å; I407-I426 HydrophobicContact CD1-CG1 3.98Å; I407-I426 HydrophobicContact CD1-CG2 4.04Å
408	E	74.4	Confident	78.6	Confident	158 Å²	158	91 Å²	91	74%	0.738	46%	0.457	S	S	*	.			trans	-85.4	99.4	176.6	-64.2	-163.2	156.4	0	0	111.4	K406 L410	K406-E408 PolarHBondContact O-N 3.02Å; E408-L410 PolarHBondContact O-N 3.18Å
409	F	70.8	Confident	78.1	Confident	108 Å²	108	95.9 Å²	95.9	47%	0.474	47%	0.472	S	S	.	.			trans	-77.8	102.7	170.7	-60.1	-82.3	0	0	0	109.9	I407 K411 I421	I407-F409 HydrophobicContact CB-CE2 4.04Å; I407-F409 HydrophobicContact CB-CZ 4.22Å; I407-F409 HydrophobicContact CG2-CD1 4.46Å; I407-F409 HydrophobicContact CG2-CD2 4.31Å; I407-F409 HydrophobicContact CG2-CE1 4.01Å; I407-F409 HydrophobicContact CG2-CE2 3.84Å; I407-F409 HydrophobicContact CG2-CZ 3.68Å; I407-F409 WeakPolarHBondContact O-CD2 3.47Å; I407-F409 PolarHBondContact O-N 3.21Å; F409-K411 HydrophobicContact CB-CG 4.3Å; F409-K411 PolarHBondContact O-N 3Å; F409-I421 HydrophobicContact CD1-CD1 4.19Å; F409-I421 HydrophobicContact CE1-CD1 4Å
410	L	72.2	Confident	77.7	Confident	126 Å²	126	98 Å²	98	66%	0.66	48%	0.482	S	S	*	.			trans	-63.7	100.6	167.4	-68.6	173.9	0	0	0	109.2	E408 R418	E408-L410 PolarHBondContact O-N 3.18Å; L410-R418 HydrophobicContact CB-CB 4.38Å; L410-R418 WeakPolarHBondContact O-CB 3.41Å; L410-R418 PolarHBondContact O-N 3.02Å
411	K	74.2	Confident	77.4	Confident	115 Å²	115	96.5 Å²	96.5	50%	0.5	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-97.8	156	178.6	-67.6	174.5	179.7	-173.8	0	111.3	F409 G415 I416	F409-K411 HydrophobicContact CB-CG 4.3Å; F409-K411 PolarHBondContact O-N 3Å; K411-G415 WeakPolarHBondContact CD-O 3.39Å; K411-G415 WeakPolarHBondContact CG-O 3.29Å; K411-I416 CarbonylContact C-O 3.28Å; K411-I416 VanDerWaalsContact CA-O 3.32Å; K411-I416 WeakPolarHBondContact CA-O 3.48Å
412	N	79.6	Confident	77.3	Confident	68 Å²	68	97.8 Å²	97.8	36%	0.364	47%	0.472	S	S	.	.			trans	-85.8	-179.6	163.2	72.8	9.2	0	0	0	111.1	A414 G415 I416	N412-A414 PolarHBondContact O-N 3.41Å; N412-A414 VanDerWaalsContact O-N 3.16Å; N412-A414 PolarHBondContact OD1-N 2.83Å; N412-G415 WeakPolarHBondContact O-CA 3.29Å; N412-G415 PolarHBondContact O-N 2.93Å; N412-G415 PolarHBondContact OD1-N 2.72Å; N412-I416 PolarHBondContact N-O 3.45Å; N412-I416 WeakPolarHBondContact OD1-CB 3.33Å; N412-I416 PolarHBondContact OD1-N 3.33Å
413	E	78	Confident	77	Confident	175 Å²	175	97.8 Å²	97.8	82%	0.818	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.5	178.9	-62.2	174.9	169.9	0	0	113.9	G415 K507	E413-G415 PolarHBondContact O-N 2.67Å; E413-K507 IonicContact OE2-NZ 3.14Å; E413-K507 PolarHBondContact OE2-NZ 2.78Å; E413-K507 VanDerWaalsContact OE2-NZ 3.08Å
414	A	77.9	Confident	76.7	Confident	2 Å²	2	96.5 Å²	96.5	2%	0.017	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.1	178.8	0	0	0	0	0	112.7	N412 I416 K507 R508	N412-A414 PolarHBondContact O-N 3.41Å; N412-A414 VanDerWaalsContact O-N 3.16Å; N412-A414 PolarHBondContact OD1-N 2.83Å; A414-I416 VanDerWaalsContact C-N 3.3Å; A414-I416 HydrophobicContact CB-CD1 3.87Å; A414-I416 HydrophobicContact CB-CG1 4.1Å; A414-I416 PolarHBondContact O-N 2.73Å; A414-K507 HydrophobicContact CB-CB 3.76Å; A414-K507 HydrophobicContact CB-CD 3.92Å; A414-K507 HydrophobicContact CB-CG 4.5Å; A414-R508 VanDerWaalsContact O-CZ 3.25Å; A414-R508 PolarHBondContact O-NE 2.82Å; A414-R508 PolarHBondContact O-NH2 2.95Å
415	G	78.8	Confident	76.5	Confident	12 Å²	12	97.5 Å²	97.5	12%	0.124	47%	0.468	C	S	.	.	S	Bend	trans	79.5	5.5	-176.2	0	0	0	0	0	114.8	K411 N412 E413	K411-G415 WeakPolarHBondContact CD-O 3.39Å; K411-G415 WeakPolarHBondContact CG-O 3.29Å; N412-G415 WeakPolarHBondContact O-CA 3.29Å; N412-G415 PolarHBondContact O-N 2.93Å; N412-G415 PolarHBondContact OD1-N 2.72Å; E413-G415 PolarHBondContact O-N 2.67Å
416	I	77.6	Confident	76.4	Confident	11 Å²	11	94.7 Å²	94.7	6%	0.056	45%	0.446	C	S	.	.			trans	-75.9	127.9	-178.3	-53	157.6	0	0	0	109	K411 N412 A414 R418 R508 Q513 Y514	K411-I416 CarbonylContact C-O 3.28Å; K411-I416 VanDerWaalsContact CA-O 3.32Å; K411-I416 WeakPolarHBondContact CA-O 3.48Å; N412-I416 PolarHBondContact N-O 3.45Å; N412-I416 WeakPolarHBondContact OD1-CB 3.33Å; N412-I416 PolarHBondContact OD1-N 3.33Å; A414-I416 VanDerWaalsContact C-N 3.3Å; A414-I416 HydrophobicContact CB-CD1 3.87Å; A414-I416 HydrophobicContact CB-CG1 4.1Å; A414-I416 PolarHBondContact O-N 2.73Å; I416-R418 PolarHBondContact O-N 3.42Å; I416-R508 HydrophobicContact CG1-CG 4.11Å; I416-Q513 HydrophobicContact CG2-CB 4.44Å; I416-Y514 HydrophobicContact CG1-CD2 4.33Å
417	P	72.5	Confident	76.4	Confident	33 Å²	33	93.8 Å²	93.8	21%	0.214	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-62.2	130.2	177.3	-21.6	33.1	0	0	0	112.3	K419	P417-K419 VanDerWaalsContact C-N 3.26Å; P417-K419 PolarHBondContact O-N 3.17Å
418	R	72.7	Confident	76.5	Confident	202 Å²	202	91.5 Å²	91.5	76%	0.762	43%	0.431	S	S	*	.	S	Bend	trans	-69.2	-24.4	172.4	-67.6	-172.3	179.1	-147.6	0.5	113	L410 I416	L410-R418 HydrophobicContact CB-CB 4.38Å; L410-R418 WeakPolarHBondContact O-CB 3.41Å; L410-R418 PolarHBondContact O-N 3.02Å; I416-R418 PolarHBondContact O-N 3.42Å
419	K	73.8	Confident	76.9	Confident	147 Å²	147	87 Å²	87	64%	0.639	41%	0.411	S	S	*	.	S	Bend	trans	-135.2	121.2	173.8	-174.8	-178.9	178.1	-171.1	0	108.1	P417 I421	P417-K419 VanDerWaalsContact C-N 3.26Å; P417-K419 PolarHBondContact O-N 3.17Å; K419-I421 PolarHBondContact O-N 2.91Å
420	I	70.7	Confident	77.4	Confident	115 Å²	115	89.4 Å²	89.4	59%	0.59	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-74	118.2	169.3	-58.8	173	0	0	0	106.8
421	I	74.1	Confident	77.9	Confident	52 Å²	52	86.9 Å²	86.9	27%	0.267	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-88.1	126.7	173.1	-60.1	174.3	0	0	0	106.7	I407 F409 K419 E425	I407-I421 HydrophobicContact CG2-CD1 3.58Å; F409-I421 HydrophobicContact CD1-CD1 4.19Å; F409-I421 HydrophobicContact CE1-CD1 4Å; K419-I421 PolarHBondContact O-N 2.91Å; I421-E425 HydrophobicContact CG2-CB 3.94Å
422	K	74.9	Confident	78.2	Confident	121 Å²	121	85 Å²	85	53%	0.526	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.3	143.2	174.2	-67	-176.7	174.3	-171	0	109.5	E424 E425	K422-E424 PolarHBondContact O-N 2.93Å; K422-E425 HydrophobicContact CB-CG 4.08Å; K422-E425 WeakPolarHBondContact O-CB 3.32Å; K422-E425 PolarHBondContact O-N 3.43Å
423	V	77.4	Confident	78.1	Confident	66 Å²	66	83.9 Å²	83.9	40%	0.4	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-58.2	-34.2	178.9	-175.6	0	0	0	0	111.2	E425 I426 L429 W434	V423-E425 PolarHBondContact O-N 3.12Å; V423-I426 WeakPolarHBondContact O-CB 3.45Å; V423-I426 PolarHBondContact O-N 3.03Å; V423-I426 VanDerWaalsContact O-N 3.08Å; V423-L429 HydrophobicContact CG1-CD1 3.44Å; V423-L429 VanDerWaalsContact CG1-CD1 3.44Å; V423-W434 HydrophobicContact CB-CE3 4.44Å; V423-W434 HydrophobicContact CB-CH2 3.74Å; V423-W434 HydrophobicContact CB-CZ2 4.47Å; V423-W434 HydrophobicContact CB-CZ3 3.74Å; V423-W434 HydrophobicContact CG1-CD2 4.16Å; V423-W434 HydrophobicContact CG1-CE3 3.88Å; V423-W434 HydrophobicContact CG1-CH2 3.61Å; V423-W434 HydrophobicContact CG1-CZ2 3.9Å; V423-W434 HydrophobicContact CG1-CZ3 3.6Å
424	E	78.3	Confident	78	Confident	94 Å²	94	78 Å²	78	44%	0.439	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-60	-20.3	172.4	-58.4	157.1	-150.7	0	0	114.9	K422 R430 W434 P436	K422-E424 PolarHBondContact O-N 2.93Å; E424-R430 PolarHBondContact O-NE 3.34Å; E424-R430 PolarHBondContact O-NH2 3.3Å; E424-W434 HydrophobicContact CG-CZ3 4.03Å; E424-P436 HydrophobicContact CG-CG 4.21Å
425	E	80.6	Confident	77.6	Confident	89 Å²	89	80.5 Å²	80.5	42%	0.416	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-87.3	-13.1	177.6	-66.4	170.1	-165	0	0	112.4	I421 K422 V423 R427	I421-E425 HydrophobicContact CG2-CB 3.94Å; K422-E425 HydrophobicContact CB-CG 4.08Å; K422-E425 WeakPolarHBondContact O-CB 3.32Å; K422-E425 PolarHBondContact O-N 3.43Å; V423-E425 PolarHBondContact O-N 3.12Å; E425-R427 PolarHBondContact O-N 3.13Å; E425-R427 VanDerWaalsContact O-N 3.1Å
426	I	82.8	Confident	77	Confident	49 Å²	49	83.3 Å²	83.3	25%	0.251	41%	0.414	S	S	.	.			trans	-71.9	106.6	176.7	-61.1	178.6	0	0	0	108.7	I407 V423 G428 L429 R430	I407-I426 HydrophobicContact CD1-CB 4.48Å; I407-I426 HydrophobicContact CD1-CD1 4.36Å; I407-I426 HydrophobicContact CD1-CG1 3.98Å; I407-I426 HydrophobicContact CD1-CG2 4.04Å; V423-I426 WeakPolarHBondContact O-CB 3.45Å; V423-I426 PolarHBondContact O-N 3.03Å; V423-I426 VanDerWaalsContact O-N 3.08Å; I426-G428 VanDerWaalsContact C-N 3.32Å; I426-G428 PolarHBondContact O-N 2.61Å; I426-L429 HydrophobicContact CB-CB 4.27Å; I426-L429 HydrophobicContact CB-CD1 4.07Å; I426-L429 HydrophobicContact CB-CG 4.29Å; I426-L429 HydrophobicContact CD1-CD1 4.06Å; I426-L429 HydrophobicContact CG2-CB 4.26Å; I426-L429 HydrophobicContact CG2-CD1 4.06Å; I426-L429 HydrophobicContact CG2-CG 3.95Å; I426-L429 PolarHBondContact O-N 3.14Å; I426-R430 PolarHBondContact O-N 2.8Å
427	R	82.3	Confident	76.4	Confident	161 Å²	161	88.9 Å²	88.9	61%	0.608	44%	0.444	S	S	*	.	H	α-helix	trans	-46.4	-49.3	-173.8	-177	175.7	174.1	-174.7	-4.8	113.8	Y404 E425 L429 R430 E431	Y404-R427 HydrophobicContact CD1-CB 4.33Å; Y404-R427 HydrophobicContact CD1-CG 4.04Å; Y404-R427 HydrophobicContact CE1-CG 3.99Å; E425-R427 PolarHBondContact O-N 3.13Å; E425-R427 VanDerWaalsContact O-N 3.1Å; R427-L429 PolarHBondContact O-N 2.94Å; R427-R430 PolarHBondContact O-N 2.91Å; R427-E431 HydrophobicContact CG-CG 4.46Å; R427-E431 WeakPolarHBondContact CG-OE1 3.45Å; R427-E431 IonicContact CZ-OE1 3.95Å; R427-E431 IonicContact NE-OE1 3.82Å; R427-E431 PolarHBondContact NE-OE1 2.96Å; R427-E431 IonicContact NH2-OE1 3.83Å; R427-E431 PolarHBondContact NH2-OE1 2.88Å; R427-E431 VanDerWaalsContact NH2-OE1 3.13Å; R427-E431 WeakPolarHBondContact O-CB 3.36Å; R427-E431 WeakPolarHBondContact O-CG 3.36Å; R427-E431 PolarHBondContact O-N 3.2Å
428	G	83.6	Confident	75.8	Confident	18 Å²	18	92.4 Å²	92.4	19%	0.186	46%	0.458	C	S	.	.	H	α-helix	trans	-66.5	-33.5	-179.5	0	0	0	0	0	114.5	Y404 I426 A432	Y404-G428 VanDerWaalsContact CZ-CA 3.5Å; I426-G428 VanDerWaalsContact C-N 3.32Å; I426-G428 PolarHBondContact O-N 2.61Å; G428-A432 VanDerWaalsContact O-CB 3.28Å; G428-A432 WeakPolarHBondContact O-CB 3.35Å; G428-A432 PolarHBondContact O-N 2.74Å
429	L	82.1	Confident	74.9	Confident	63 Å²	63	90.7 Å²	90.7	33%	0.33	45%	0.451	S	S	.	.	H	α-helix	trans	-72.8	-41.1	175	-69.4	178.2	0	0	0	111.2	V423 I426 R427 A432 G433 W434	V423-L429 HydrophobicContact CG1-CD1 3.44Å; V423-L429 VanDerWaalsContact CG1-CD1 3.44Å; I426-L429 HydrophobicContact CB-CB 4.27Å; I426-L429 HydrophobicContact CB-CD1 4.07Å; I426-L429 HydrophobicContact CB-CG 4.29Å; I426-L429 HydrophobicContact CD1-CD1 4.06Å; I426-L429 HydrophobicContact CG2-CB 4.26Å; I426-L429 HydrophobicContact CG2-CD1 4.06Å; I426-L429 HydrophobicContact CG2-CG 3.95Å; I426-L429 PolarHBondContact O-N 3.14Å; R427-L429 PolarHBondContact O-N 2.94Å; L429-A432 CarbonylContact O-C 3.45Å; L429-A432 PolarHBondContact O-N 3.35Å; L429-G433 PolarHBondContact O-N 3.1Å; L429-W434 HydrophobicContact CB-CB 3.98Å; L429-W434 HydrophobicContact CB-CG 4.43Å; L429-W434 HydrophobicContact CD2-CB 4.47Å; L429-W434 VanDerWaalsContact O-CB 3.27Å; L429-W434 WeakPolarHBondContact O-CB 3.4Å; L429-W434 PolarHBondContact O-N 3.43Å
430	R	81	Confident	73.7	Confident	158 Å²	158	86.2 Å²	86.2	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-60.5	-47.2	173.8	-177	-172.8	-62.5	-166.4	-5.3	111.9	E424 I426 R427 A432 G433	E424-R430 PolarHBondContact O-NE 3.34Å; E424-R430 PolarHBondContact O-NH2 3.3Å; I426-R430 PolarHBondContact O-N 2.8Å; R427-R430 PolarHBondContact O-N 2.91Å; R430-A432 PolarHBondContact O-N 2.96Å; R430-G433 PolarHBondContact O-N 2.85Å; R430-G433 VanDerWaalsContact O-N 3.1Å
431	E	83.3	Confident	72.5	Confident	74 Å²	74	89 Å²	89	35%	0.346	46%	0.457	S	S	.	.	H	α-helix	trans	-67.5	-22.1	177.2	-73.6	177.9	-166.4	0	0	112.8	N399 Y404 R427 G433	N399-E431 PolarHBondContact ND2-O 3.23Å; Y404-E431 WeakPolarHBondContact CE1-OE2 3.4Å; Y404-E431 PolarHBondContact OH-OE2 3.33Å; R427-E431 HydrophobicContact CG-CG 4.46Å; R427-E431 WeakPolarHBondContact CG-OE1 3.45Å; R427-E431 IonicContact CZ-OE1 3.95Å; R427-E431 IonicContact NE-OE1 3.82Å; R427-E431 PolarHBondContact NE-OE1 2.96Å; R427-E431 IonicContact NH2-OE1 3.83Å; R427-E431 PolarHBondContact NH2-OE1 2.88Å; R427-E431 VanDerWaalsContact NH2-OE1 3.13Å; R427-E431 WeakPolarHBondContact O-CB 3.36Å; R427-E431 WeakPolarHBondContact O-CG 3.36Å; R427-E431 PolarHBondContact O-N 3.2Å; E431-G433 VanDerWaalsContact C-N 3.32Å
432	A	80	Confident	71.2	Confident	75 Å²	75	89.5 Å²	89.5	62%	0.62	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	0.3	171.9	0	0	0	0	0	114	G428 L429 R430 W434	G428-A432 VanDerWaalsContact O-CB 3.28Å; G428-A432 WeakPolarHBondContact O-CB 3.35Å; G428-A432 PolarHBondContact O-N 2.74Å; L429-A432 CarbonylContact O-C 3.45Å; L429-A432 PolarHBondContact O-N 3.35Å; R430-A432 PolarHBondContact O-N 2.96Å; A432-W434 VanDerWaalsContact C-N 3.33Å
433	G	77.2	Confident	69.8	Low	45 Å²	45	94.5 Å²	94.5	46%	0.464	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	25.3	-177.8	0	0	0	0	0	114.2	L429 R430 E431 T435 Q438	L429-G433 PolarHBondContact O-N 3.1Å; R430-G433 PolarHBondContact O-N 2.85Å; R430-G433 VanDerWaalsContact O-N 3.1Å; E431-G433 VanDerWaalsContact C-N 3.32Å; G433-T435 PolarHBondContact O-N 3.13Å; G433-Q438 PolarHBondContact O-NE2 3.23Å
434	W	76.1	Confident	68.2	Low	50 Å²	50	97.3 Å²	97.3	19%	0.189	49%	0.486	C	S	.	.			trans	-65.1	129.8	174.6	-177.6	82.5	0	0	0	110.9	V423 E424 L429 A432 P436 W439	V423-W434 HydrophobicContact CB-CE3 4.44Å; V423-W434 HydrophobicContact CB-CH2 3.74Å; V423-W434 HydrophobicContact CB-CZ2 4.47Å; V423-W434 HydrophobicContact CB-CZ3 3.74Å; V423-W434 HydrophobicContact CG1-CD2 4.16Å; V423-W434 HydrophobicContact CG1-CE3 3.88Å; V423-W434 HydrophobicContact CG1-CH2 3.61Å; V423-W434 HydrophobicContact CG1-CZ2 3.9Å; V423-W434 HydrophobicContact CG1-CZ3 3.6Å; E424-W434 HydrophobicContact CG-CZ3 4.03Å; L429-W434 HydrophobicContact CB-CB 3.98Å; L429-W434 HydrophobicContact CB-CG 4.43Å; L429-W434 HydrophobicContact CD2-CB 4.47Å; L429-W434 VanDerWaalsContact O-CB 3.27Å; L429-W434 WeakPolarHBondContact O-CB 3.4Å; L429-W434 PolarHBondContact O-N 3.43Å; A432-W434 VanDerWaalsContact C-N 3.33Å; W434-P436 HydrophobicContact CH2-CB 4.11Å; W434-P436 HydrophobicContact CH2-CG 4.03Å; W434-P436 HydrophobicContact CZ3-CB 4.47Å; W434-P436 HydrophobicContact CZ3-CG 3.91Å; W434-W439 AromaticContact CE2-CD1 3.88Å; W434-W439 AromaticContact CZ2-CD1 3.71Å; W434-W439 HydrophobicContact CZ2-CG 4.42Å; W434-W439 AromaticContact NE1-CD1 3.43Å; W434-W439 AromaticContact NE1-NE1 3.47Å
435	T	69.4	Low	66.9	Low	55 Å²	55	98.7 Å²	98.7	34%	0.337	49%	0.49	S	S	.	.			trans	-126	146.6	175.5	60.1	0	0	0	0	110.9	G433 D437 Q438	G433-T435 PolarHBondContact O-N 3.13Å; T435-D437 WeakPolarHBondContact CB-OD1 3.38Å; T435-D437 PolarHBondContact O-N 3.39Å; T435-D437 VanDerWaalsContact O-N 3.14Å; T435-D437 PolarHBondContact OG1-OD1 2.71Å; T435-Q438 WeakPolarHBondContact O-CB 3.1Å; T435-Q438 PolarHBondContact O-N 2.84Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.36Å; T435-Q438 PolarHBondContact OG1-NE2 3.15Å
436	P	66.7	Low	65.3	Low	71 Å²	71	98.8 Å²	98.8	46%	0.461	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.9	-173.2	-27	35.4	0	0	0	115.6	E424 W434 Q438 W439	E424-P436 HydrophobicContact CG-CG 4.21Å; W434-P436 HydrophobicContact CH2-CB 4.11Å; W434-P436 HydrophobicContact CH2-CG 4.03Å; W434-P436 HydrophobicContact CZ3-CB 4.47Å; W434-P436 HydrophobicContact CZ3-CG 3.91Å; P436-Q438 VanDerWaalsContact C-N 3.29Å; P436-Q438 PolarHBondContact O-N 2.92Å; P436-W439 PolarHBondContact O-N 3.42Å
437	D	65.7	Low	63.6	Low	129 Å²	129	99.4 Å²	99.4	69%	0.69	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.2	177.2	59.6	-52.5	0	0	0	113.7	T435 W439	T435-D437 WeakPolarHBondContact CB-OD1 3.38Å; T435-D437 PolarHBondContact O-N 3.39Å; T435-D437 VanDerWaalsContact O-N 3.14Å; T435-D437 PolarHBondContact OG1-OD1 2.71Å; D437-W439 PolarHBondContact O-N 3.14Å; D437-W439 VanDerWaalsContact O-N 3.16Å
438	Q	58.1	Low	61.6	Low	106 Å²	106	97.1 Å²	97.1	50%	0.495	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-65.4	-16.3	174.3	-64.7	169.1	13	0	0	112.4	G433 T435 P436 G440	G433-Q438 PolarHBondContact O-NE2 3.23Å; T435-Q438 WeakPolarHBondContact O-CB 3.1Å; T435-Q438 PolarHBondContact O-N 2.84Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.36Å; T435-Q438 PolarHBondContact OG1-NE2 3.15Å; P436-Q438 VanDerWaalsContact C-N 3.29Å; P436-Q438 PolarHBondContact O-N 2.92Å; Q438-G440 PolarHBondContact O-N 3.14Å
439	W	54	Low	59.4	Low	166 Å²	166	98 Å²	98	63%	0.629	50%	0.503	S	S	*	.			trans	-82.4	56.5	175.7	-90.5	60.5	0	0	0	113.6	W434 P436 D437 H441 T442	W434-W439 AromaticContact CE2-CD1 3.88Å; W434-W439 AromaticContact CZ2-CD1 3.71Å; W434-W439 HydrophobicContact CZ2-CG 4.42Å; W434-W439 AromaticContact NE1-CD1 3.43Å; W434-W439 AromaticContact NE1-NE1 3.47Å; P436-W439 PolarHBondContact O-N 3.42Å; D437-W439 PolarHBondContact O-N 3.14Å; D437-W439 VanDerWaalsContact O-N 3.16Å; W439-H441 VanDerWaalsContact C-N 3.32Å; W439-T442 HydrophobicContact CE3-CG2 3.73Å; W439-T442 HydrophobicContact CZ3-CG2 3.5Å
440	G	48.6	Very low	57.6	Low	53 Å²	53	101.8 Å²	101.8	55%	0.546	54%	0.535	S	S	.	.			trans	-77	-9.9	171.5	0	0	0	0	0	115.4	Q438	Q438-G440 PolarHBondContact O-N 3.14Å
441	H	46.4	Very low	55.7	Low	175 Å²	175	96.9 Å²	96.9	81%	0.81	53%	0.528	S	S	*	.			trans	-123	27.2	-161.3	-66.1	88.3	0	0	0	115.6	W439 R443	W439-H441 VanDerWaalsContact C-N 3.32Å; H441-R443 PolarHBondContact O-N 2.84Å
442	T	47.1	Very low	54.4	Low	62 Å²	62	99.1 Å²	99.1	38%	0.38	54%	0.542	S	S	.	.			trans	-67.8	104.5	163.3	17.3	0	0	0	0	110	W439 F444 K445	W439-T442 HydrophobicContact CE3-CG2 3.73Å; W439-T442 HydrophobicContact CZ3-CG2 3.5Å; T442-F444 PolarHBondContact O-N 3.36Å; T442-K445 PolarHBondContact O-N 2.66Å
443	R	45.7	Very low	53.4	Low	225 Å²	225	102.7 Å²	102.7	85%	0.849	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-0.9	-179.4	-60.2	-173.2	-89.6	-175.5	-5.8	115.4	H441	H441-R443 PolarHBondContact O-N 2.84Å
444	F	44.1	Very low	52.8	Low	126 Å²	126	104.8 Å²	104.8	55%	0.553	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	35.9	-171	-56.6	-69.2	0	0	0	112.8	T442 L446 D519	T442-F444 PolarHBondContact O-N 3.36Å; F444-L446 PolarHBondContact O-N 2.92Å; F444-D519 VanDerWaalsContact CB-OD2 3.29Å; F444-D519 WeakPolarHBondContact CB-OD2 3.34Å
445	K	49.3	Very low	52.6	Low	123 Å²	123	105.3 Å²	105.3	54%	0.535	56%	0.56	S	S	.	*			trans	-68.4	73.1	165.7	-93	-174.6	159.1	-156	0	111	T442 F447 N448	T442-K445 PolarHBondContact O-N 2.66Å; K445-F447 PolarHBondContact O-N 3.18Å; K445-N448 HydrophobicContact CB-CB 4.15Å; K445-N448 HydrophobicContact CD-CB 4.34Å; K445-N448 WeakPolarHBondContact CD-OD1 3.43Å; K445-N448 WeakPolarHBondContact CE-OD1 3.29Å; K445-N448 PolarHBondContact NZ-OD1 3.14Å
446	L	48.3	Very low	52.8	Low	91 Å²	91	103.4 Å²	103.4	48%	0.476	55%	0.548	S	S	.	.			trans	-69.2	-16.1	-179.2	-98	158.3	0	0	0	114.6	F444 L561	F444-L446 PolarHBondContact O-N 2.92Å; L446-L561 HydrophobicContact CD1-CD2 3.59Å; L446-L561 HydrophobicContact CD2-CD2 3.71Å; L446-L561 HydrophobicContact CG-CD2 4.31Å
447	F	45.8	Very low	53.4	Low	62 Å²	62	102.4 Å²	102.4	27%	0.272	54%	0.537	S	S	.	.			trans	-131.3	82.5	175.4	-70.9	-86.5	0	0	0	110	K445 N456 Q459	K445-F447 PolarHBondContact O-N 3.18Å; F447-N456 HydrophobicContact CB-CB 3.91Å; F447-N456 HydrophobicContact CD1-CB 4.47Å; F447-N456 WeakPolarHBondContact CD1-OD1 3.25Å; F447-N456 HydrophobicContact CG-CB 4.19Å; F447-Q459 VanDerWaalsContact CE1-OE1 3.27Å
448	N	40.6	Very low	54.4	Low	112 Å²	112	102.7 Å²	102.7	60%	0.599	53%	0.532	S	S	*	.			trans	-126.6	60	179.5	-161.1	82.8	0	0	0	111.3	K445	K445-N448 HydrophobicContact CB-CB 4.15Å; K445-N448 HydrophobicContact CD-CB 4.34Å; K445-N448 WeakPolarHBondContact CD-OD1 3.43Å; K445-N448 WeakPolarHBondContact CE-OD1 3.29Å; K445-N448 PolarHBondContact NZ-OD1 3.14Å
449	G	38.2	Very low	55.8	Low	37 Å²	37	102.1 Å²	102.1	38%	0.381	53%	0.53	S	S	.	.	S	Bend	trans	-140.4	99.2	172.7	0	0	0	0	0	110.9	A451	G449-A451 PolarHBondContact O-N 2.7Å
450	S	43.8	Very low	57.4	Low	143 Å²	143	94.9 Å²	94.9	100%	1	50%	0.503	S	S	*	.	S	Bend	trans	39.6	1.9	158	-155.7	0	0	0	0	122.7
451	A	41.8	Very low	59.4	Low	55 Å²	55	92.5 Å²	92.5	46%	0.455	48%	0.478	S	S	.	.	S	Bend	trans	-106.7	149.9	-176.2	0	0	0	0	0	111.6	G449 M453 N456	G449-A451 PolarHBondContact O-N 2.7Å; A451-M453 PolarHBondContact O-N 2.91Å; A451-N456 PolarHBondContact O-ND2 3.17Å
452	D	54.6	Low	61.6	Low	121 Å²	121	86.8 Å²	86.8	65%	0.647	46%	0.461	S	S	*	.			trans	-42.7	131.4	-176.2	-80	-47.8	0	0	0	113.5	V454 T455 N456	D452-V454 PolarHBondContact O-N 3.42Å; D452-T455 WeakPolarHBondContact O-CB 3.5Å; D452-T455 PolarHBondContact O-N 3.44Å; D452-N456 PolarHBondContact O-N 3.12Å
453	M	59.7	Low	63.7	Low	150 Å²	150	85.6 Å²	85.6	74%	0.739	45%	0.452	S	S	*	.	H	α-helix	trans	-49.1	-35.2	173	-77.1	-113.1	64.8	0	0	112.3	A451 T455 Q457	A451-M453 PolarHBondContact O-N 2.91Å; M453-T455 PolarHBondContact O-N 3.24Å; M453-Q457 WeakPolarHBondContact O-CB 3.21Å; M453-Q457 PolarHBondContact O-N 2.82Å
454	V	65.7	Low	66	Low	89 Å²	89	74.9 Å²	74.9	54%	0.539	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.6	-177.9	0	0	0	0	112.2	D452 K458	D452-V454 PolarHBondContact O-N 3.42Å; V454-K458 HydrophobicContact CG1-CD 4.29Å; V454-K458 WeakPolarHBondContact O-CB 3.39Å; V454-K458 VanDerWaalsContact O-CG 3.28Å; V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.43Å
455	T	71	Confident	68.5	Low	60 Å²	60	72.8 Å²	72.8	37%	0.368	40%	0.4	S	S	.	.	H	α-helix	trans	-71.5	-44.9	-179.6	-58.8	0	0	0	0	110.9	D452 M453 Q457 K458 Q459	D452-T455 WeakPolarHBondContact O-CB 3.5Å; D452-T455 PolarHBondContact O-N 3.44Å; M453-T455 PolarHBondContact O-N 3.24Å; T455-Q457 PolarHBondContact O-N 3.33Å; T455-K458 PolarHBondContact O-N 2.84Å; T455-Q459 WeakPolarHBondContact O-CG 3.41Å; T455-Q459 PolarHBondContact O-N 3.16Å
456	N	73.7	Confident	70.7	Confident	16 Å²	16	69.5 Å²	69.5	9%	0.086	40%	0.396	C	S	.	.	H	α-helix	trans	-63.1	-41	176.1	-66	-37.8	0	0	0	111.6	F447 A451 D452 K458 Q459 L460	F447-N456 HydrophobicContact CB-CB 3.91Å; F447-N456 HydrophobicContact CD1-CB 4.47Å; F447-N456 WeakPolarHBondContact CD1-OD1 3.25Å; F447-N456 HydrophobicContact CG-CB 4.19Å; A451-N456 PolarHBondContact O-ND2 3.17Å; D452-N456 PolarHBondContact O-N 3.12Å; N456-K458 PolarHBondContact O-N 2.85Å; N456-Q459 PolarHBondContact O-N 3.09Å; N456-L460 WeakPolarHBondContact O-CB 3.4Å; N456-L460 PolarHBondContact O-N 3.49Å
457	Q	79.9	Confident	73	Confident	50 Å²	50	65.4 Å²	65.4	23%	0.234	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-40.2	175.1	-171.9	62.4	48.9	0	0	112.2	M453 T455 L460 N461	M453-Q457 WeakPolarHBondContact O-CB 3.21Å; M453-Q457 PolarHBondContact O-N 2.82Å; T455-Q457 PolarHBondContact O-N 3.33Å; Q457-L460 PolarHBondContact O-N 2.9Å; Q457-N461 PolarHBondContact NE2-OD1 3.2Å; Q457-N461 WeakPolarHBondContact O-CB 3.47Å; Q457-N461 PolarHBondContact O-N 3.17Å; Q457-N461 PolarHBondContact O-ND2 3.35Å
458	K	85.7	Confident	75.4	Confident	134 Å²	134	63 Å²	63	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-42.8	175	-77.2	172.9	179.5	179.2	0	112.3	V454 T455 N456 N461 A462	V454-K458 HydrophobicContact CG1-CD 4.29Å; V454-K458 WeakPolarHBondContact O-CB 3.39Å; V454-K458 VanDerWaalsContact O-CG 3.28Å; V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.43Å; T455-K458 PolarHBondContact O-N 2.84Å; N456-K458 PolarHBondContact O-N 2.85Å; K458-N461 PolarHBondContact O-N 2.88Å; K458-A462 WeakPolarHBondContact O-CB 3.32Å; K458-A462 PolarHBondContact O-N 3.2Å
459	Q	86.7	Confident	78.1	Confident	94 Å²	94	63.7 Å²	63.7	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-43.3	175.7	-71.8	178.3	-1.4	0	0	111.5	F447 T455 N456 A462 L463	F447-Q459 VanDerWaalsContact CE1-OE1 3.27Å; T455-Q459 WeakPolarHBondContact O-CG 3.41Å; T455-Q459 PolarHBondContact O-N 3.16Å; N456-Q459 PolarHBondContact O-N 3.09Å; Q459-A462 PolarHBondContact O-N 3.01Å; Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 PolarHBondContact O-N 3.17Å
460	L	87.7	Confident	80.8	Confident	15 Å²	15	64 Å²	64	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-47.1	174.8	176.5	59.5	0	0	0	112	N456 Q457 A462 L463 M464 V516 L518	N456-L460 WeakPolarHBondContact O-CB 3.4Å; N456-L460 PolarHBondContact O-N 3.49Å; Q457-L460 PolarHBondContact O-N 2.9Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.38Å; L460-L463 PolarHBondContact O-N 3.43Å; L460-M464 HydrophobicContact CD1-CE 4.45Å; L460-M464 HydrophobicContact CD1-CG 4.24Å; L460-M464 HydrophobicContact CD1-SD 4.22Å; L460-M464 HydrophobicContact CG-CE 3.95Å; L460-M464 HydrophobicContact CG-SD 4.34Å; L460-M464 WeakPolarHBondContact O-CG 3.08Å; L460-M464 PolarHBondContact O-N 2.89Å; L460-V516 WeakPolarHBondContact CD2-O 3.22Å; L460-L518 HydrophobicContact CD1-CB 3.8Å; L460-L518 HydrophobicContact CD1-CD1 4.28Å
461	N	90.8	Very high	83.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.011	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-41.8	175.5	-75.6	-23.6	0	0	0	111.5	Q457 K458 M464 R465 E512	Q457-N461 PolarHBondContact NE2-OD1 3.2Å; Q457-N461 WeakPolarHBondContact O-CB 3.47Å; Q457-N461 PolarHBondContact O-N 3.17Å; Q457-N461 PolarHBondContact O-ND2 3.35Å; K458-N461 PolarHBondContact O-N 2.88Å; N461-M464 PolarHBondContact O-N 3.47Å; N461-M464 WeakPolarHBondContact OD1-CE 3.44Å; N461-R465 WeakPolarHBondContact O-CB 3.24Å; N461-R465 WeakPolarHBondContact O-CG 3.42Å; N461-R465 PolarHBondContact O-N 3.07Å; N461-E512 WeakPolarHBondContact ND2-CB 3.42Å; N461-E512 VanDerWaalsContact ND2-CG 3.31Å; N461-E512 WeakPolarHBondContact ND2-CG 3.45Å; N461-E512 PolarHBondContact ND2-OE2 2.87Å
462	A	92.4	Very high	86	Confident	56 Å²	56	57.7 Å²	57.7	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-42.7	175.1	0	0	0	0	0	112.4	K458 Q459 L460 R465 A466	K458-A462 WeakPolarHBondContact O-CB 3.32Å; K458-A462 PolarHBondContact O-N 3.2Å; Q459-A462 PolarHBondContact O-N 3.01Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.38Å; A462-R465 PolarHBondContact O-N 3.02Å; A462-A466 WeakPolarHBondContact O-CB 3.27Å; A462-A466 PolarHBondContact O-N 2.9Å
463	L	92.4	Very high	88	Confident	37 Å²	37	57.4 Å²	57.4	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-47	174.5	176.5	61.5	0	0	0	111.6	Q459 L460 R465 A466 L467 L518	Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 PolarHBondContact O-N 3.17Å; L460-L463 PolarHBondContact O-N 3.43Å; L463-R465 PolarHBondContact O-N 2.97Å; L463-A466 PolarHBondContact O-N 3.28Å; L463-L467 HydrophobicContact CD1-CD1 4.03Å; L463-L467 HydrophobicContact CD1-CG 4.09Å; L463-L467 HydrophobicContact CG-CD1 3.93Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 WeakPolarHBondContact O-CB 3.27Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.2Å; L463-L467 PolarHBondContact O-N 2.83Å; L463-L518 HydrophobicContact CD2-CD1 4.39Å; L463-L518 HydrophobicContact CD2-CD2 4.23Å
464	M	94.6	Very high	89.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-39.5	178.1	-68	-175.9	-57.1	0	0	112.3	L460 N461 L467 L468 V509 Y515 L518 F521	L460-M464 HydrophobicContact CD1-CE 4.45Å; L460-M464 HydrophobicContact CD1-CG 4.24Å; L460-M464 HydrophobicContact CD1-SD 4.22Å; L460-M464 HydrophobicContact CG-CE 3.95Å; L460-M464 HydrophobicContact CG-SD 4.34Å; L460-M464 WeakPolarHBondContact O-CG 3.08Å; L460-M464 PolarHBondContact O-N 2.89Å; N461-M464 PolarHBondContact O-N 3.47Å; N461-M464 WeakPolarHBondContact OD1-CE 3.44Å; M464-L467 PolarHBondContact O-N 2.75Å; M464-L468 WeakPolarHBondContact O-CB 3.4Å; M464-L468 PolarHBondContact O-N 3.41Å; M464-V509 HydrophobicContact CB-CG1 4.26Å; M464-V509 HydrophobicContact CB-CG2 4.24Å; M464-Y515 VanDerWaalsContact SD-CB 3.53Å; M464-Y515 HydrophobicContact SD-CD2 4.36Å; M464-Y515 HydrophobicContact SD-CG 4.16Å; M464-L518 HydrophobicContact CG-CD1 4.01Å; M464-F521 HydrophobicContact CB-CD1 4.49Å; M464-F521 HydrophobicContact CB-CD2 4.3Å; M464-F521 HydrophobicContact CB-CE2 4.32Å; M464-F521 HydrophobicContact CB-CG 4.38Å; M464-F521 HydrophobicContact CB-CZ 4.42Å; M464-F521 HydrophobicContact CG-CB 4.2Å; M464-F521 HydrophobicContact CG-CD1 3.99Å; M464-F521 HydrophobicContact CG-CD2 4.31Å; M464-F521 HydrophobicContact CG-CE1 4.42Å; M464-F521 HydrophobicContact CG-CG 3.93Å; M464-F521 HydrophobicContact SD-CB 3.59Å; M464-F521 VanDerWaalsContact SD-CB 3.59Å; M464-F521 HydrophobicContact SD-CD1 4.5Å; M464-F521 HydrophobicContact SD-CD2 4.31Å; M464-F521 HydrophobicContact SD-CG 3.92Å
465	R	95.8	Very high	91.2	Very high	81 Å²	81	52.4 Å²	52.4	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-43.3	172.5	-71.6	167.8	-176.2	-82.8	7.3	111.4	N461 A462 L463 K469 V509 E510 E512	N461-R465 WeakPolarHBondContact O-CB 3.24Å; N461-R465 WeakPolarHBondContact O-CG 3.42Å; N461-R465 PolarHBondContact O-N 3.07Å; A462-R465 PolarHBondContact O-N 3.02Å; L463-R465 PolarHBondContact O-N 2.97Å; R465-K469 WeakPolarHBondContact O-CB 3.41Å; R465-K469 PolarHBondContact O-N 2.78Å; R465-V509 HydrophobicContact CB-CG1 4.42Å; R465-V509 HydrophobicContact CG-CG1 3.48Å; R465-V509 VanDerWaalsContact CG-CG1 3.48Å; R465-E510 IonicContact CZ-OE1 3.14Å; R465-E510 VanDerWaalsContact CZ-OE1 3.31Å; R465-E510 IonicContact CZ-OE2 3.58Å; R465-E510 IonicContact NH1-OE1 2.67Å; R465-E510 PolarHBondContact NH1-OE1 3.21Å; R465-E510 IonicContact NH1-OE2 3.93Å; R465-E510 PolarHBondContact NH1-OE2 3.48Å; R465-E510 IonicContact NH2-OE1 3.24Å; R465-E510 PolarHBondContact NH2-OE1 3.06Å; R465-E510 IonicContact NH2-OE2 3.82Å; R465-E512 IonicContact CZ-OE1 3.88Å; R465-E512 IonicContact NE-OE1 3.79Å; R465-E512 IonicContact NH2-OE1 2.95Å; R465-E512 PolarHBondContact NH2-OE1 3.49Å
466	A	95.3	Very high	92.5	Very high	54 Å²	54	50.6 Å²	50.6	45%	0.446	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-47.6	176.7	0	0	0	0	0	112.2	A462 L463 L468 K469 T470	A462-A466 WeakPolarHBondContact O-CB 3.27Å; A462-A466 PolarHBondContact O-N 2.9Å; L463-A466 PolarHBondContact O-N 3.28Å; A466-L468 PolarHBondContact O-N 3.48Å; A466-K469 PolarHBondContact O-N 3.47Å; A466-T470 WeakPolarHBondContact O-CG2 3.48Å; A466-T470 PolarHBondContact O-N 3Å
467	L	96	Very high	93.6	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-46.3	176.9	-70.7	170.4	0	0	0	111.5	L463 M464 K469 T470 M471 L518 F521 F553 K556 V557	L463-L467 HydrophobicContact CD1-CD1 4.03Å; L463-L467 HydrophobicContact CD1-CG 4.09Å; L463-L467 HydrophobicContact CG-CD1 3.93Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 WeakPolarHBondContact O-CB 3.27Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.2Å; L463-L467 PolarHBondContact O-N 2.83Å; M464-L467 PolarHBondContact O-N 2.75Å; L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 PolarHBondContact O-N 2.66Å; L467-T470 PolarHBondContact O-N 2.8Å; L467-T470 PolarHBondContact O-OG1 2.9Å; L467-M471 PolarHBondContact O-N 2.9Å; L467-L518 HydrophobicContact CD1-CD1 4.04Å; L467-F521 HydrophobicContact CB-CE1 3.8Å; L467-F521 HydrophobicContact CB-CZ 4.01Å; L467-F521 HydrophobicContact CD1-CE1 3.93Å; L467-F553 HydrophobicContact CB-CE2 4.43Å; L467-K556 HydrophobicContact CD2-CB 3.68Å; L467-V557 HydrophobicContact CD1-CG2 3.98Å; L467-V557 HydrophobicContact CD2-CG2 4.09Å
468	L	97.1	Very high	94.4	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-46.1	175.3	175.4	61.3	0	0	0	111.8	M464 A466 T470 M471 Q472 L502 I505 A506 V509 F521	M464-L468 WeakPolarHBondContact O-CB 3.4Å; M464-L468 PolarHBondContact O-N 3.41Å; A466-L468 PolarHBondContact O-N 3.48Å; L468-T470 PolarHBondContact O-N 3.44Å; L468-M471 HydrophobicContact CD1-CE 4.22Å; L468-M471 WeakPolarHBondContact O-CB 3.39Å; L468-M471 PolarHBondContact O-N 2.96Å; L468-M471 VanDerWaalsContact O-N 3.16Å; L468-Q472 HydrophobicContact CD1-CG 4.19Å; L468-Q472 WeakPolarHBondContact O-CG 3.31Å; L468-Q472 PolarHBondContact O-N 3.07Å; L468-L502 HydrophobicContact CD1-CD2 3.99Å; L468-I505 HydrophobicContact CD1-CB 4.49Å; L468-I505 HydrophobicContact CD1-CG2 3.96Å; L468-A506 HydrophobicContact CD2-CB 3.81Å; L468-V509 HydrophobicContact CD2-CB 4.31Å; L468-V509 HydrophobicContact CD2-CG2 4.17Å; L468-F521 HydrophobicContact CB-CE2 4.37Å; L468-F521 HydrophobicContact CB-CZ 4.27Å
469	K	96.5	Very high	94.8	Very high	126 Å²	126	48.3 Å²	48.3	55%	0.548	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-46.9	175.1	-178	175.8	178.7	-177.7	0	111.5	R465 A466 L467 M471 Q472 D473	R465-K469 WeakPolarHBondContact O-CB 3.41Å; R465-K469 PolarHBondContact O-N 2.78Å; A466-K469 PolarHBondContact O-N 3.47Å; L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 PolarHBondContact O-N 2.66Å; K469-M471 PolarHBondContact O-N 3.11Å; K469-Q472 PolarHBondContact O-N 2.97Å; K469-Q472 VanDerWaalsContact O-N 3.08Å; K469-D473 WeakPolarHBondContact CE-OD2 3.44Å; K469-D473 VanDerWaalsContact CG-OD2 3.27Å; K469-D473 WeakPolarHBondContact CG-OD2 3.35Å; K469-D473 WeakPolarHBondContact O-CB 3.15Å; K469-D473 PolarHBondContact O-N 2.91Å
470	T	96	Very high	95.4	Very high	44 Å²	44	44.3 Å²	44.3	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-25.1	177.7	63	0	0	0	0	113.7	A466 L467 L468 H552	A466-T470 WeakPolarHBondContact O-CG2 3.48Å; A466-T470 PolarHBondContact O-N 3Å; L467-T470 PolarHBondContact O-N 2.8Å; L467-T470 PolarHBondContact O-OG1 2.9Å; L468-T470 PolarHBondContact O-N 3.44Å; T470-H552 PolarHBondContact O-CE1 3.4Å
471	M	97.1	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-75.2	-48.7	168.9	-68.5	-171.7	-70.4	0	0	111.6	L467 L468 K469 D473 H474 A477 L502 F521 A525 F529 L549 F553	L467-M471 PolarHBondContact O-N 2.9Å; L468-M471 HydrophobicContact CD1-CE 4.22Å; L468-M471 WeakPolarHBondContact O-CB 3.39Å; L468-M471 PolarHBondContact O-N 2.96Å; L468-M471 VanDerWaalsContact O-N 3.16Å; K469-M471 PolarHBondContact O-N 3.11Å; M471-D473 VanDerWaalsContact C-N 3.3Å; M471-D473 PolarHBondContact O-N 2.93Å; M471-H474 WeakPolarHBondContact O-CB 3.27Å; M471-H474 PolarHBondContact O-N 3.29Å; M471-A477 WeakPolarHBondContact O-CB 3.27Å; M471-L502 HydrophobicContact CB-CD2 4.08Å; M471-L502 HydrophobicContact CE-CD2 4.01Å; M471-L502 HydrophobicContact SD-CD2 4.26Å; M471-F521 HydrophobicContact CE-CE2 4.46Å; M471-F521 HydrophobicContact CE-CZ 3.84Å; M471-A525 HydrophobicContact SD-CB 4.49Å; M471-F529 HydrophobicContact SD-CZ 4.3Å; M471-L549 HydrophobicContact CB-CD1 4.32Å; M471-L549 HydrophobicContact CG-CD1 4.32Å; M471-F553 HydrophobicContact CE-CD2 4.04Å; M471-F553 HydrophobicContact CE-CE2 3.9Å; M471-F553 HydrophobicContact CG-CB 4.39Å; M471-F553 HydrophobicContact CG-CD2 3.81Å; M471-F553 HydrophobicContact CG-CG 4.46Å; M471-F553 HydrophobicContact SD-CB 4.28Å; M471-F553 HydrophobicContact SD-CD2 3.36Å; M471-F553 WeakPolarHBondContact SD-CD2 3.27Å; M471-F553 HydrophobicContact SD-CE2 3.79Å; M471-F553 HydrophobicContact SD-CG 3.92Å
472	Q	96.6	Very high	96	Very high	65 Å²	65	53 Å²	53	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-33.3	-177.8	-72.6	176.4	-17.3	0	0	113.7	L468 K469 K481 L502	L468-Q472 HydrophobicContact CD1-CG 4.19Å; L468-Q472 WeakPolarHBondContact O-CG 3.31Å; L468-Q472 PolarHBondContact O-N 3.07Å; K469-Q472 PolarHBondContact O-N 2.97Å; K469-Q472 VanDerWaalsContact O-N 3.08Å; Q472-K481 WeakPolarHBondContact O-CE 3.15Å; Q472-K481 PolarHBondContact O-NZ 3.27Å; Q472-L502 HydrophobicContact CG-CB 4.42Å; Q472-L502 HydrophobicContact CG-CD1 4.12Å
473	D	96.5	Very high	96.1	Very high	114 Å²	114	53.5 Å²	53.5	61%	0.61	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.8	179.4	-67.4	-16.4	0	0	0	113.1	K469 M471	K469-D473 WeakPolarHBondContact CE-OD2 3.44Å; K469-D473 VanDerWaalsContact CG-OD2 3.27Å; K469-D473 WeakPolarHBondContact CG-OD2 3.35Å; K469-D473 WeakPolarHBondContact O-CB 3.15Å; K469-D473 PolarHBondContact O-N 2.91Å; M471-D473 VanDerWaalsContact C-N 3.3Å; M471-D473 PolarHBondContact O-N 2.93Å
474	H	96.7	Very high	96.2	Very high	44 Å²	44	53.9 Å²	53.9	20%	0.204	28%	0.283	C	S	.	.	S	Bend	trans	-73.4	141.3	-178.7	-167.7	-92.9	0	0	0	112	M471 D476 A477 L549 H552	M471-H474 WeakPolarHBondContact O-CB 3.27Å; M471-H474 PolarHBondContact O-N 3.29Å; H474-D476 VanDerWaalsContact C-N 3.3Å; H474-D476 IonicContact CE1-OD2 3.86Å; H474-D476 PolarHBondContact CE1-OD2 3.03Å; H474-D476 PolarHBondContact ND1-N 2.95Å; H474-D476 IonicContact ND1-OD2 3.72Å; H474-D476 PolarHBondContact O-N 3.23Å; H474-A477 HydrophobicContact CB-CB 4.43Å; H474-A477 WeakPolarHBondContact O-CB 3.5Å; H474-A477 PolarHBondContact O-N 3.15Å; H474-L549 HydrophobicContact CB-CD1 3.72Å; H474-H552 AromaticContact CD2-CE1 3.88Å; H474-H552 AromaticContact CD2-CG 3.63Å; H474-H552 AromaticContact CD2-ND1 3.54Å; H474-H552 AromaticContact NE2-CG 3.93Å
475	A	97	Very high	96.1	Very high	90 Å²	90	56.2 Å²	56.2	74%	0.744	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-57.8	-39.7	-176.4	0	0	0	0	0	113.1	A477	A475-A477 PolarHBondContact O-N 2.87Å
476	D	97	Very high	96	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.118	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-76.1	3	177.5	-68.7	-55.8	0	0	0	115.2	H474 W478 P479 F480 C545 R548	H474-D476 VanDerWaalsContact C-N 3.3Å; H474-D476 IonicContact CE1-OD2 3.86Å; H474-D476 PolarHBondContact CE1-OD2 3.03Å; H474-D476 PolarHBondContact ND1-N 2.95Å; H474-D476 IonicContact ND1-OD2 3.72Å; H474-D476 PolarHBondContact O-N 3.23Å; D476-W478 VanDerWaalsContact C-N 3.34Å; D476-W478 PolarHBondContact O-N 3.49Å; D476-P479 VanDerWaalsContact O-CD 3.25Å; D476-P479 WeakPolarHBondContact O-CD 3.38Å; D476-F480 WeakPolarHBondContact O-CE2 3.25Å; D476-C545 HydrophobicContact CB-CB 3.87Å; D476-C545 PolarHBondContact OD1-SG 3.41Å; D476-R548 IonicContact OD1-CZ 2.61Å; D476-R548 IonicContact OD1-NE 3.85Å; D476-R548 PolarHBondContact OD1-NE 3.39Å; D476-R548 IonicContact OD1-NH2 2.74Å; D476-R548 PolarHBondContact OD1-NH2 3.47Å; D476-R548 WeakPolarHBondContact OD2-CB 3.32Å; D476-R548 IonicContact OD2-CZ 2.73Å; D476-R548 IonicContact OD2-NE 3.31Å; D476-R548 PolarHBondContact OD2-NE 2.85Å; D476-R548 IonicContact OD2-NH2 2.73Å
477	A	97.6	Very high	95.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-78.7	-15.4	-174.3	0	0	0	0	0	114.8	M471 H474 A475 F480 K481 L502 L549	M471-A477 WeakPolarHBondContact O-CB 3.27Å; H474-A477 HydrophobicContact CB-CB 4.43Å; H474-A477 WeakPolarHBondContact O-CB 3.5Å; H474-A477 PolarHBondContact O-N 3.15Å; A475-A477 PolarHBondContact O-N 2.87Å; A477-F480 PolarHBondContact O-N 2.95Å; A477-K481 WeakPolarHBondContact O-CG 3.09Å; A477-K481 PolarHBondContact O-N 3Å; A477-L502 HydrophobicContact CB-CD1 4.32Å; A477-L549 HydrophobicContact CB-CD2 4.07Å
478	W	96.1	Very high	95.7	Very high	125 Å²	125	68.4 Å²	68.4	47%	0.473	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-52.8	-36	-172.7	68.3	-93.4	0	0	0	115.6	D476 F480 I541 Y542	D476-W478 VanDerWaalsContact C-N 3.34Å; D476-W478 PolarHBondContact O-N 3.49Å; W478-F480 PolarHBondContact O-N 3.13Å; W478-I541 HydrophobicContact CZ2-CD1 4.24Å; W478-I541 HydrophobicContact CZ2-CG1 4.45Å; W478-I541 HydrophobicContact CZ2-CG2 4.3Å; W478-Y542 HydrophobicContact CH2-CD1 4.1Å; W478-Y542 AromaticContact CH2-CE1 3.37Å; W478-Y542 HydrophobicContact CH2-CE1 3.37Å; W478-Y542 AromaticContact CH2-CZ 3.97Å; W478-Y542 HydrophobicContact CZ2-CE1 4.3Å; W478-Y542 AromaticContact CZ3-CE1 3.74Å; W478-Y542 HydrophobicContact CZ3-CE1 3.74Å
479	P	95.7	Very high	95.5	Very high	27 Å²	27	69.6 Å²	69.6	18%	0.175	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-71.9	-15	178.4	-14.5	30.4	0	0	0	113.9	D476 Y542 C545	D476-P479 VanDerWaalsContact O-CD 3.25Å; D476-P479 WeakPolarHBondContact O-CD 3.38Å; P479-Y542 HydrophobicContact CB-CD1 3.85Å; P479-Y542 HydrophobicContact CB-CE1 4.21Å; P479-Y542 HydrophobicContact CG-CD1 3.99Å; P479-Y542 HydrophobicContact CG-CE1 4.41Å; P479-C545 HydrophobicContact CG-CB 4.29Å
480	F	97.7	Very high	95.3	Very high	11 Å²	11	68.2 Å²	68.2	5%	0.048	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-108.4	-3.9	-170.5	-50.2	-77.5	0	0	0	113	D476 A477 W478 E482 L502 M528 C532 C545 A546 L549	D476-F480 WeakPolarHBondContact O-CE2 3.25Å; A477-F480 PolarHBondContact O-N 2.95Å; W478-F480 PolarHBondContact O-N 3.13Å; F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.21Å; F480-L502 HydrophobicContact CB-CD1 3.93Å; F480-L502 HydrophobicContact CB-CG 4.02Å; F480-L502 VanDerWaalsContact O-CB 3.28Å; F480-L502 WeakPolarHBondContact O-CB 3.42Å; F480-L502 WeakPolarHBondContact O-CG 3.41Å; F480-L502 PolarHBondContact O-N 2.82Å; F480-M528 HydrophobicContact CB-CE 4.05Å; F480-M528 HydrophobicContact CB-CG 4.44Å; F480-M528 HydrophobicContact CB-SD 3.79Å; F480-M528 HydrophobicContact CD1-CE 4.15Å; F480-M528 HydrophobicContact CD1-CG 3.75Å; F480-M528 HydrophobicContact CD1-SD 4.14Å; F480-M528 HydrophobicContact CG-CE 4.09Å; F480-M528 HydrophobicContact CG-CG 4.43Å; F480-M528 HydrophobicContact CG-SD 4.24Å; F480-C532 HydrophobicContact CE1-CB 3.74Å; F480-C532 HydrophobicContact CZ-CB 4.32Å; F480-C545 HydrophobicContact CE2-CB 4.24Å; F480-A546 HydrophobicContact CE1-CB 4.36Å; F480-A546 HydrophobicContact CZ-CB 3.76Å; F480-L549 HydrophobicContact CD2-CD2 3.73Å; F480-L549 HydrophobicContact CE2-CD2 4.04Å
481	K	96.2	Very high	95.2	Very high	97 Å²	97	69.5 Å²	69.5	42%	0.422	37%	0.366	S	S	.	.	S	Bend	trans	-70.4	-30.6	-173.6	-66.1	-166	175.4	-167.3	0	113.2	Q472 A477 L502	Q472-K481 WeakPolarHBondContact O-CE 3.15Å; Q472-K481 PolarHBondContact O-NZ 3.27Å; A477-K481 WeakPolarHBondContact O-CG 3.09Å; A477-K481 PolarHBondContact O-N 3Å; K481-L502 HydrophobicContact CG-CD1 4.43Å
482	E	95.1	Very high	95.2	Very high	102 Å²	102	70.3 Å²	70.3	48%	0.477	37%	0.369	S	S	.	.	S	Bend	trans	-132.5	158.7	-176.7	-71.8	-69.1	160.5	0	0	109.6	F480 K503	F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.21Å; E482-K503 WeakPolarHBondContact OE1-CD 3.44Å; E482-K503 IonicContact OE1-NZ 2.6Å; E482-K503 PolarHBondContact OE1-NZ 3.43Å; E482-K503 WeakPolarHBondContact OE2-CD 3.49Å; E482-K503 WeakPolarHBondContact OE2-CE 3.48Å; E482-K503 IonicContact OE2-NZ 3.08Å; E482-K503 PolarHBondContact OE2-NZ 3.29Å
483	P	94.7	Very high	95.1	Very high	67 Å²	67	71.1 Å²	71.1	44%	0.435	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-58.8	148.5	172.4	-19.1	29.7	0	0	0	112.1	D485 D501	P483-D485 PolarHBondContact O-N 2.88Å; P483-D501 WeakPolarHBondContact CG-OD2 3.48Å
484	V	94.6	Very high	95	Very high	44 Å²	44	71.5 Å²	71.5	27%	0.267	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-64.5	126.8	174.5	179.5	0	0	0	0	110	S486 V489 Y492 Y493	V484-S486 PolarHBondContact O-N 2.93Å; V484-V489 HydrophobicContact CG1-CB 3.83Å; V484-V489 HydrophobicContact CG1-CG1 4.5Å; V484-V489 HydrophobicContact CG1-CG2 3.8Å; V484-Y492 HydrophobicContact CB-CD1 3.88Å; V484-Y492 HydrophobicContact CB-CD2 4.49Å; V484-Y492 HydrophobicContact CB-CE1 3.93Å; V484-Y492 HydrophobicContact CB-CG 4.17Å; V484-Y492 HydrophobicContact CG1-CD1 4.01Å; V484-Y492 HydrophobicContact CG1-CD2 4.05Å; V484-Y492 HydrophobicContact CG1-CE1 4.45Å; V484-Y492 HydrophobicContact CG1-CE2 4.48Å; V484-Y492 HydrophobicContact CG1-CG 3.8Å; V484-Y492 HydrophobicContact CG2-CD1 4.24Å; V484-Y492 HydrophobicContact CG2-CD2 4.39Å; V484-Y492 HydrophobicContact CG2-CE1 3.84Å; V484-Y492 HydrophobicContact CG2-CE2 4Å; V484-Y492 HydrophobicContact CG2-CG 4.5Å; V484-Y493 PolarHBondContact O-OH 3.27Å
485	D	93.8	Very high	94.9	Very high	50 Å²	50	73.4 Å²	73.4	27%	0.267	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-77.5	119.3	178.7	-161	-35.8	0	0	0	110.8	P483 R487 D488 V489	P483-D485 PolarHBondContact O-N 2.88Å; D485-R487 PolarHBondContact O-N 3.08Å; D485-R487 VanDerWaalsContact O-N 3.16Å; D485-R487 WeakPolarHBondContact OD1-CB 3.47Å; D485-R487 VanDerWaalsContact OD1-CG 3.25Å; D485-R487 WeakPolarHBondContact OD1-CG 3.47Å; D485-R487 IonicContact OD1-CZ 3.63Å; D485-R487 PolarHBondContact OD1-N 3.18Å; D485-R487 IonicContact OD1-NE 2.68Å; D485-R487 PolarHBondContact OD1-NE 3.3Å; D485-R487 IonicContact OD2-CZ 3.13Å; D485-R487 VanDerWaalsContact OD2-CZ 3.22Å; D485-R487 IonicContact OD2-NE 3.91Å; D485-R487 PolarHBondContact OD2-NE 3.22Å; D485-R487 IonicContact OD2-NH2 2.64Å; D485-R487 PolarHBondContact OD2-NH2 2.96Å; D485-D488 HydrophobicContact CB-CB 4.45Å; D485-D488 PolarHBondContact O-N 2.87Å; D485-D488 VanDerWaalsContact O-N 3.11Å; D485-V489 PolarHBondContact O-N 3.28Å
486	S	92.3	Very high	94.9	Very high	65 Å²	65	69.3 Å²	69.3	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.6	176.2	51.6	0	0	0	0	113.6	V484 P490	V484-S486 PolarHBondContact O-N 2.93Å; S486-P490 VanDerWaalsContact O-CA 3.26Å; S486-P490 WeakPolarHBondContact O-CA 3.41Å
487	R	93.8	Very high	94.7	Very high	200 Å²	200	75.6 Å²	75.6	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-34.5	172.9	-59.7	175.6	-67.5	170.5	2.8	111.8	D485	D485-R487 PolarHBondContact O-N 3.08Å; D485-R487 VanDerWaalsContact O-N 3.16Å; D485-R487 WeakPolarHBondContact OD1-CB 3.47Å; D485-R487 VanDerWaalsContact OD1-CG 3.25Å; D485-R487 WeakPolarHBondContact OD1-CG 3.47Å; D485-R487 IonicContact OD1-CZ 3.63Å; D485-R487 PolarHBondContact OD1-N 3.18Å; D485-R487 IonicContact OD1-NE 2.68Å; D485-R487 PolarHBondContact OD1-NE 3.3Å; D485-R487 IonicContact OD2-CZ 3.13Å; D485-R487 VanDerWaalsContact OD2-CZ 3.22Å; D485-R487 IonicContact OD2-NE 3.91Å; D485-R487 PolarHBondContact OD2-NE 3.22Å; D485-R487 IonicContact OD2-NH2 2.64Å; D485-R487 PolarHBondContact OD2-NH2 2.96Å
488	D	92.3	Very high	94.5	Very high	132 Å²	132	79.5 Å²	79.5	71%	0.706	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-31.6	178.8	-61.8	-27	0	0	0	111.4	D485	D485-D488 HydrophobicContact CB-CB 4.45Å; D485-D488 PolarHBondContact O-N 2.87Å; D485-D488 VanDerWaalsContact O-N 3.11Å
489	V	91.3	Very high	94.5	Very high	36 Å²	36	76.2 Å²	76.2	22%	0.218	39%	0.39	C	S	.	.	S	Bend	trans	-132.1	78	-177.1	-162.4	0	0	0	0	110.8	V484 D485 D491 Y492 Y535	V484-V489 HydrophobicContact CG1-CB 3.83Å; V484-V489 HydrophobicContact CG1-CG1 4.5Å; V484-V489 HydrophobicContact CG1-CG2 3.8Å; D485-V489 PolarHBondContact O-N 3.28Å; V489-D491 PolarHBondContact O-N 3.37Å; V489-Y492 HydrophobicContact CG1-CD2 4.37Å; V489-Y492 WeakPolarHBondContact O-CB 3.26Å; V489-Y492 PolarHBondContact O-N 2.98Å; V489-Y535 HydrophobicContact CG1-CE1 3.7Å; V489-Y535 HydrophobicContact CG1-CE2 4.12Å; V489-Y535 WeakPolarHBondContact CG1-OH 3.29Å
490	P	92.9	Very high	94.5	Very high	97 Å²	97	75.5 Å²	75.5	63%	0.63	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.1	-166.9	-25.9	36.6	0	0	0	116.2	S486	S486-P490 VanDerWaalsContact O-CA 3.26Å; S486-P490 WeakPolarHBondContact O-CA 3.41Å
491	D	94.8	Very high	94.5	Very high	71 Å²	71	75.5 Å²	75.5	38%	0.38	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.6	-177.9	67.2	-22.1	0	0	0	113.6	V489 Y493 D494 I495 Y535	V489-D491 PolarHBondContact O-N 3.37Å; D491-Y493 VanDerWaalsContact C-N 3.33Å; D491-Y493 PolarHBondContact O-N 2.95Å; D491-D494 WeakPolarHBondContact O-CB 3.43Å; D491-D494 PolarHBondContact O-N 3.43Å; D491-I495 PolarHBondContact O-N 3.16Å; D491-Y535 WeakPolarHBondContact OD1-CE2 3.27Å; D491-Y535 PolarHBondContact OD1-OH 3.33Å
492	Y	96.2	Very high	94.6	Very high	17 Å²	17	71 Å²	71	7%	0.067	37%	0.366	C	S	.	.	H	α-helix	trans	-55.2	-46.4	-174.1	-174.6	-100.7	0	0	0	112.8	V484 V489 D494 I495 I496 P499 Y535	V484-Y492 HydrophobicContact CB-CD1 3.88Å; V484-Y492 HydrophobicContact CB-CD2 4.49Å; V484-Y492 HydrophobicContact CB-CE1 3.93Å; V484-Y492 HydrophobicContact CB-CG 4.17Å; V484-Y492 HydrophobicContact CG1-CD1 4.01Å; V484-Y492 HydrophobicContact CG1-CD2 4.05Å; V484-Y492 HydrophobicContact CG1-CE1 4.45Å; V484-Y492 HydrophobicContact CG1-CE2 4.48Å; V484-Y492 HydrophobicContact CG1-CG 3.8Å; V484-Y492 HydrophobicContact CG2-CD1 4.24Å; V484-Y492 HydrophobicContact CG2-CD2 4.39Å; V484-Y492 HydrophobicContact CG2-CE1 3.84Å; V484-Y492 HydrophobicContact CG2-CE2 4Å; V484-Y492 HydrophobicContact CG2-CG 4.5Å; V489-Y492 HydrophobicContact CG1-CD2 4.37Å; V489-Y492 WeakPolarHBondContact O-CB 3.26Å; V489-Y492 PolarHBondContact O-N 2.98Å; Y492-D494 VanDerWaalsContact C-N 3.32Å; Y492-I495 PolarHBondContact O-N 2.84Å; Y492-I496 HydrophobicContact CD1-CB 4.37Å; Y492-I496 HydrophobicContact CD2-CG1 4.23Å; Y492-I496 HydrophobicContact CE1-CB 3.93Å; Y492-I496 HydrophobicContact CE1-CG1 4.16Å; Y492-I496 HydrophobicContact CE1-CG2 4.07Å; Y492-I496 HydrophobicContact CE2-CB 4.42Å; Y492-I496 HydrophobicContact CE2-CG1 3.74Å; Y492-I496 WeakPolarHBondContact O-CB 3.24Å; Y492-I496 PolarHBondContact O-N 2.95Å; Y492-P499 HydrophobicContact CE1-CB 4.38Å; Y492-Y535 HydrophobicContact CD2-CD1 4.07Å; Y492-Y535 AromaticContact CD2-CD2 3.62Å; Y492-Y535 HydrophobicContact CD2-CD2 3.62Å; Y492-Y535 HydrophobicContact CD2-CE1 4.43Å; Y492-Y535 HydrophobicContact CD2-CE2 4.01Å; Y492-Y535 AromaticContact CD2-CG 3.68Å; Y492-Y535 HydrophobicContact CD2-CG 3.68Å; Y492-Y535 HydrophobicContact CE2-CD1 4.37Å; Y492-Y535 HydrophobicContact CE2-CD2 4.23Å; Y492-Y535 AromaticContact CE2-CG 3.91Å; Y492-Y535 HydrophobicContact CE2-CG 3.91Å; Y492-Y535 HydrophobicContact CG-CD2 4.49Å
493	Y	95.5	Very high	94.6	Very high	83 Å²	83	70.2 Å²	70.2	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-79.9	-13.6	-178.3	-61	-75.1	0	0	0	113.2	V484 D491 I495 K497 P499	V484-Y493 PolarHBondContact O-OH 3.27Å; D491-Y493 VanDerWaalsContact C-N 3.33Å; D491-Y493 PolarHBondContact O-N 2.95Å; Y493-I495 VanDerWaalsContact C-N 3.33Å; Y493-K497 PolarHBondContact O-NZ 2.86Å; Y493-K497 VanDerWaalsContact O-NZ 3.15Å; Y493-P499 HydrophobicContact CD1-CB 4.29Å; Y493-P499 HydrophobicContact CD1-CG 4.03Å; Y493-P499 HydrophobicContact CE1-CB 3.79Å; Y493-P499 HydrophobicContact CE1-CG 3.76Å
494	D	94.5	Very high	94.6	Very high	122 Å²	122	68.3 Å²	68.3	65%	0.652	35%	0.348	S	S	*	.	H	α-helix	trans	-76.4	-24.3	169	-72.2	-34.7	0	0	0	112	D491 Y492 K497	D491-D494 WeakPolarHBondContact O-CB 3.43Å; D491-D494 PolarHBondContact O-N 3.43Å; Y492-D494 VanDerWaalsContact C-N 3.32Å; D494-K497 WeakPolarHBondContact O-CE 3.32Å; D494-K497 PolarHBondContact O-NZ 2.81Å
495	I	94.1	Very high	94.8	Very high	83 Å²	83	66.2 Å²	66.2	43%	0.426	34%	0.335	S	S	.	.	H	α-helix	trans	-97.7	-50.8	176.1	-64.8	170	0	0	0	111	D491 Y492 Y493 Y535	D491-I495 PolarHBondContact O-N 3.16Å; Y492-I495 PolarHBondContact O-N 2.84Å; Y493-I495 VanDerWaalsContact C-N 3.33Å; I495-Y535 HydrophobicContact CB-CD2 4.2Å; I495-Y535 HydrophobicContact CD1-CD2 3.93Å; I495-Y535 HydrophobicContact CD1-CE2 3.84Å; I495-Y535 HydrophobicContact CG2-CD2 4.29Å
496	I	96.5	Very high	94.9	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	33%	0.333	C	S	.	.			trans	-93	108.1	-175.3	-57.3	-55.8	0	0	0	111.1	Y492 P499 N531 T534	Y492-I496 HydrophobicContact CD1-CB 4.37Å; Y492-I496 HydrophobicContact CD2-CG1 4.23Å; Y492-I496 HydrophobicContact CE1-CB 3.93Å; Y492-I496 HydrophobicContact CE1-CG1 4.16Å; Y492-I496 HydrophobicContact CE1-CG2 4.07Å; Y492-I496 HydrophobicContact CE2-CB 4.42Å; Y492-I496 HydrophobicContact CE2-CG1 3.74Å; Y492-I496 WeakPolarHBondContact O-CB 3.24Å; Y492-I496 PolarHBondContact O-N 2.95Å; I496-P499 HydrophobicContact CG2-CB 4.4Å; I496-N531 HydrophobicContact CD1-CB 4.23Å; I496-N531 WeakPolarHBondContact CD1-O 3.46Å; I496-N531 HydrophobicContact CG2-CB 3.89Å; I496-T534 HydrophobicContact CD1-CG2 3.9Å
497	K	93.4	Very high	95	Very high	154 Å²	154	66.3 Å²	66.3	67%	0.67	33%	0.33	S	S	*	.	S	Bend	trans	-87.6	-14.5	-173.6	-56.4	-56.5	173	-168	0	115.8	Y493 D494	Y493-K497 PolarHBondContact O-NZ 2.86Å; Y493-K497 VanDerWaalsContact O-NZ 3.15Å; D494-K497 WeakPolarHBondContact O-CE 3.32Å; D494-K497 PolarHBondContact O-NZ 2.81Å
498	D	93.3	Very high	95.1	Very high	81 Å²	81	57.8 Å²	57.8	43%	0.433	30%	0.298	S	S	.	.	S	Bend	trans	-137.8	68.6	-179	-170.8	10.1	0	0	0	109.8	R527 N531	D498-R527 VanDerWaalsContact CG-CD 3.46Å; D498-R527 VanDerWaalsContact CG-NH1 3.33Å; D498-R527 VanDerWaalsContact O-CD 3.29Å; D498-R527 WeakPolarHBondContact O-CD 3.31Å; D498-R527 PolarHBondContact O-NE 2.96Å; D498-R527 IonicContact OD1-CZ 2.98Å; D498-R527 IonicContact OD1-NE 3.66Å; D498-R527 IonicContact OD1-NH1 2.73Å; D498-R527 PolarHBondContact OD1-NH1 2.85Å; D498-R527 WeakPolarHBondContact OD2-CD 3.32Å; D498-R527 IonicContact OD2-CZ 2.72Å; D498-R527 VanDerWaalsContact OD2-CZ 3.28Å; D498-R527 IonicContact OD2-NE 2.67Å; D498-R527 PolarHBondContact OD2-NE 3.46Å; D498-R527 IonicContact OD2-NH1 3.9Å; D498-R527 PolarHBondContact OD2-NH1 3.38Å; D498-N531 PolarHBondContact O-ND2 3.25Å
499	P	95.3	Very high	95.2	Very high	56 Å²	56	51.7 Å²	51.7	36%	0.364	27%	0.265	S	S	.	.			trans	-65.6	144.8	-175.5	29.4	-37.3	0	0	0	111.7	Y492 Y493 I496	Y492-P499 HydrophobicContact CE1-CB 4.38Å; Y493-P499 HydrophobicContact CD1-CB 4.29Å; Y493-P499 HydrophobicContact CD1-CG 4.03Å; Y493-P499 HydrophobicContact CE1-CB 3.79Å; Y493-P499 HydrophobicContact CE1-CG 3.76Å; I496-P499 HydrophobicContact CG2-CB 4.4Å
500	I	96.7	Very high	95.2	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.067	28%	0.282	C	S	.	.			trans	-156.1	149.1	175.3	-176.8	157.3	0	0	0	110.8	V504 I505 D524 R527 M528	I500-V504 HydrophobicContact CD1-CG1 4.27Å; I500-V504 HydrophobicContact CG1-CB 4.36Å; I500-V504 HydrophobicContact CG1-CG1 4.22Å; I500-I505 HydrophobicContact CD1-CD1 4.2Å; I500-I505 HydrophobicContact CD1-CG1 3.67Å; I500-I505 HydrophobicContact CG1-CD1 4.21Å; I500-I505 HydrophobicContact CG1-CG1 3.9Å; I500-D524 HydrophobicContact CD1-CB 3.63Å; I500-D524 VanDerWaalsContact CD1-CG 3.4Å; I500-R527 HydrophobicContact CG2-CB 4.11Å; I500-R527 HydrophobicContact CG2-CG 4Å; I500-M528 HydrophobicContact CG2-CB 3.92Å
501	D	96.8	Very high	95.1	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.059	26%	0.261	C	S	.	.			trans	-142.5	169	-177.2	58.6	79.7	0	0	0	110.3	P483 K503 V504 I505	P483-D501 WeakPolarHBondContact CG-OD2 3.48Å; D501-K503 PolarHBondContact O-N 3.09Å; D501-K503 VanDerWaalsContact OD1-CA 3.31Å; D501-K503 WeakPolarHBondContact OD1-CA 3.26Å; D501-K503 VanDerWaalsContact OD1-CB 3.23Å; D501-K503 WeakPolarHBondContact OD1-CB 3.38Å; D501-K503 PolarHBondContact OD1-N 3.37Å; D501-V504 PolarHBondContact O-N 2.83Å; D501-V504 PolarHBondContact OD1-N 3.34Å; D501-V504 VanDerWaalsContact OD2-CG2 3.27Å; D501-V504 WeakPolarHBondContact OD2-CG2 3.47Å; D501-I505 WeakPolarHBondContact O-CG1 3.18Å; D501-I505 PolarHBondContact O-N 3.16Å
502	L	97.8	Very high	94.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-19.7	-178.3	-68.4	171.8	0	0	0	113.6	L468 M471 Q472 A477 F480 K481 I505 A506 M528	L468-L502 HydrophobicContact CD1-CD2 3.99Å; M471-L502 HydrophobicContact CB-CD2 4.08Å; M471-L502 HydrophobicContact CE-CD2 4.01Å; M471-L502 HydrophobicContact SD-CD2 4.26Å; Q472-L502 HydrophobicContact CG-CB 4.42Å; Q472-L502 HydrophobicContact CG-CD1 4.12Å; A477-L502 HydrophobicContact CB-CD1 4.32Å; F480-L502 HydrophobicContact CB-CD1 3.93Å; F480-L502 HydrophobicContact CB-CG 4.02Å; F480-L502 VanDerWaalsContact O-CB 3.28Å; F480-L502 WeakPolarHBondContact O-CB 3.42Å; F480-L502 WeakPolarHBondContact O-CG 3.41Å; F480-L502 PolarHBondContact O-N 2.82Å; K481-L502 HydrophobicContact CG-CD1 4.43Å; L502-I505 HydrophobicContact CD2-CD1 4.43Å; L502-A506 VanDerWaalsContact O-CB 3.22Å; L502-A506 WeakPolarHBondContact O-CB 3.31Å; L502-A506 PolarHBondContact O-N 3.07Å; L502-M528 HydrophobicContact CD2-CE 3.86Å; L502-M528 HydrophobicContact CD2-SD 3.91Å; L502-M528 HydrophobicContact CG-CE 4.18Å; L502-M528 HydrophobicContact CG-SD 3.84Å
503	K	95.9	Very high	94.1	Very high	87 Å²	87	57.5 Å²	57.5	38%	0.378	28%	0.283	S	S	.	.	H	α-helix	trans	-82.8	-36.1	177.7	173.8	-178.2	-169.2	164.3	0	111.5	E482 D501 A506 K507	E482-K503 WeakPolarHBondContact OE1-CD 3.44Å; E482-K503 IonicContact OE1-NZ 2.6Å; E482-K503 PolarHBondContact OE1-NZ 3.43Å; E482-K503 WeakPolarHBondContact OE2-CD 3.49Å; E482-K503 WeakPolarHBondContact OE2-CE 3.48Å; E482-K503 IonicContact OE2-NZ 3.08Å; E482-K503 PolarHBondContact OE2-NZ 3.29Å; D501-K503 PolarHBondContact O-N 3.09Å; D501-K503 VanDerWaalsContact OD1-CA 3.31Å; D501-K503 WeakPolarHBondContact OD1-CA 3.26Å; D501-K503 VanDerWaalsContact OD1-CB 3.23Å; D501-K503 WeakPolarHBondContact OD1-CB 3.38Å; D501-K503 PolarHBondContact OD1-N 3.37Å; K503-A506 PolarHBondContact O-N 3.28Å; K503-K507 WeakPolarHBondContact O-CG 3.41Å; K503-K507 PolarHBondContact O-N 3.02Å
504	V	95.7	Very high	93.7	Very high	27 Å²	27	55.9 Å²	55.9	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-45.2	166.4	171.2	0	0	0	0	110.4	I500 D501 A506 K507 R508	I500-V504 HydrophobicContact CD1-CG1 4.27Å; I500-V504 HydrophobicContact CG1-CB 4.36Å; I500-V504 HydrophobicContact CG1-CG1 4.22Å; D501-V504 PolarHBondContact O-N 2.83Å; D501-V504 PolarHBondContact OD1-N 3.34Å; D501-V504 VanDerWaalsContact OD2-CG2 3.27Å; D501-V504 WeakPolarHBondContact OD2-CG2 3.47Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 3.43Å; V504-K507 PolarHBondContact O-N 2.87Å; V504-R508 WeakPolarHBondContact O-CG 3.46Å; V504-R508 PolarHBondContact O-N 2.8Å
505	I	97	Very high	93.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-44.4	174.5	-64.4	169.6	0	0	0	110.3	L468 I500 D501 L502 R508 V509 Y515 F521 D524 M528	L468-I505 HydrophobicContact CD1-CB 4.49Å; L468-I505 HydrophobicContact CD1-CG2 3.96Å; I500-I505 HydrophobicContact CD1-CD1 4.2Å; I500-I505 HydrophobicContact CD1-CG1 3.67Å; I500-I505 HydrophobicContact CG1-CD1 4.21Å; I500-I505 HydrophobicContact CG1-CG1 3.9Å; D501-I505 WeakPolarHBondContact O-CG1 3.18Å; D501-I505 PolarHBondContact O-N 3.16Å; L502-I505 HydrophobicContact CD2-CD1 4.43Å; I505-R508 PolarHBondContact O-N 3.18Å; I505-R508 VanDerWaalsContact O-N 3.14Å; I505-V509 HydrophobicContact CG2-CG2 4.28Å; I505-V509 WeakPolarHBondContact O-CG2 3.42Å; I505-V509 PolarHBondContact O-N 2.89Å; I505-Y515 HydrophobicContact CG2-CE2 4.26Å; I505-F521 HydrophobicContact CG2-CD2 3.95Å; I505-F521 HydrophobicContact CG2-CE2 3.55Å; I505-D524 HydrophobicContact CG1-CB 4.45Å; I505-M528 HydrophobicContact CD1-SD 4.01Å
506	A	96.5	Very high	92.9	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-48.2	176.1	0	0	0	0	0	112.8	L468 L502 K503 V504 R508 V509 E510	L468-A506 HydrophobicContact CD2-CB 3.81Å; L502-A506 VanDerWaalsContact O-CB 3.22Å; L502-A506 WeakPolarHBondContact O-CB 3.31Å; L502-A506 PolarHBondContact O-N 3.07Å; K503-A506 PolarHBondContact O-N 3.28Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 3.43Å; A506-R508 VanDerWaalsContact C-N 3.26Å; A506-R508 PolarHBondContact O-N 3.5Å; A506-V509 PolarHBondContact O-N 3.34Å; A506-E510 WeakPolarHBondContact O-CB 3.29Å; A506-E510 PolarHBondContact O-N 3.46Å
507	K	95.2	Very high	92.4	Very high	90 Å²	90	53 Å²	53	39%	0.391	27%	0.267	S	S	.	.	H	α-helix	trans	-56.8	-39	174.2	-74.9	-178.7	178.1	-177.3	0	111.6	E413 A414 K503 V504 S511	E413-K507 IonicContact OE2-NZ 3.14Å; E413-K507 PolarHBondContact OE2-NZ 2.78Å; E413-K507 VanDerWaalsContact OE2-NZ 3.08Å; A414-K507 HydrophobicContact CB-CB 3.76Å; A414-K507 HydrophobicContact CB-CD 3.92Å; A414-K507 HydrophobicContact CB-CG 4.5Å; K503-K507 WeakPolarHBondContact O-CG 3.41Å; K503-K507 PolarHBondContact O-N 3.02Å; V504-K507 PolarHBondContact O-N 2.87Å; K507-S511 WeakPolarHBondContact O-CB 3.3Å; K507-S511 PolarHBondContact O-N 3.4Å; K507-S511 VanDerWaalsContact O-N 3.14Å
508	R	94.5	Very high	92.2	Very high	22 Å²	22	46.2 Å²	46.2	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-42.6	178.4	-73.8	174.1	179.5	178.8	9.3	112.9	A414 I416 V504 I505 A506 S511 Y514 Y515 D524	A414-R508 VanDerWaalsContact O-CZ 3.25Å; A414-R508 PolarHBondContact O-NE 2.82Å; A414-R508 PolarHBondContact O-NH2 2.95Å; I416-R508 HydrophobicContact CG1-CG 4.11Å; V504-R508 WeakPolarHBondContact O-CG 3.46Å; V504-R508 PolarHBondContact O-N 2.8Å; I505-R508 PolarHBondContact O-N 3.18Å; I505-R508 VanDerWaalsContact O-N 3.14Å; A506-R508 VanDerWaalsContact C-N 3.26Å; A506-R508 PolarHBondContact O-N 3.5Å; R508-S511 PolarHBondContact O-N 2.87Å; R508-S511 PolarHBondContact O-OG 3.32Å; R508-Y514 HydrophobicContact CB-CD1 4.18Å; R508-Y514 HydrophobicContact CB-CG 4.26Å; R508-Y514 HydrophobicContact CG-CD1 3.96Å; R508-Y514 HydrophobicContact CG-CD2 4.41Å; R508-Y514 HydrophobicContact CG-CE1 4.47Å; R508-Y514 HydrophobicContact CG-CG 3.92Å; R508-Y514 PolarHBondContact NH1-OH 3.05Å; R508-Y515 HydrophobicContact CB-CD2 3.93Å; R508-Y515 HydrophobicContact CB-CE1 4.48Å; R508-Y515 HydrophobicContact CB-CE2 3.24Å; R508-Y515 VanDerWaalsContact CD-OH 3.24Å; R508-Y515 WeakPolarHBondContact CD-OH 3.45Å; R508-Y515 HydrophobicContact CG-CE2 4.4Å; R508-D524 IonicContact CZ-OD2 3.22Å; R508-D524 IonicContact NE-OD2 2.77Å; R508-D524 VanDerWaalsContact NH1-CG 3.34Å; R508-D524 IonicContact NH1-OD1 3.54Å; R508-D524 PolarHBondContact NH1-OD1 3.3Å; R508-D524 IonicContact NH1-OD2 3.96Å; R508-D524 PolarHBondContact NH1-OD2 2.95Å
509	V	94.4	Very high	92	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-48.4	173.9	174.1	0	0	0	0	110.7	M464 R465 L468 I505 A506 S511 E512 Y515 F521	M464-V509 HydrophobicContact CB-CG1 4.26Å; M464-V509 HydrophobicContact CB-CG2 4.24Å; R465-V509 HydrophobicContact CB-CG1 4.42Å; R465-V509 HydrophobicContact CG-CG1 3.48Å; R465-V509 VanDerWaalsContact CG-CG1 3.48Å; L468-V509 HydrophobicContact CD2-CB 4.31Å; L468-V509 HydrophobicContact CD2-CG2 4.17Å; I505-V509 HydrophobicContact CG2-CG2 4.28Å; I505-V509 WeakPolarHBondContact O-CG2 3.42Å; I505-V509 PolarHBondContact O-N 2.89Å; A506-V509 PolarHBondContact O-N 3.34Å; V509-S511 PolarHBondContact O-N 2.88Å; V509-E512 PolarHBondContact O-N 2.89Å; V509-Y515 HydrophobicContact CB-CD2 4.46Å; V509-Y515 HydrophobicContact CG2-CD2 3.71Å; V509-Y515 HydrophobicContact CG2-CE2 3.68Å; V509-F521 HydrophobicContact CG2-CD2 3.84Å; V509-F521 HydrophobicContact CG2-CE2 3.7Å
510	E	93.3	Very high	91.8	Very high	121 Å²	121	46.2 Å²	46.2	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-64	-27.8	-179.2	-165.9	61.9	-109.5	0	0	113	R465 A506 E512	R465-E510 IonicContact CZ-OE1 3.14Å; R465-E510 VanDerWaalsContact CZ-OE1 3.31Å; R465-E510 IonicContact CZ-OE2 3.58Å; R465-E510 IonicContact NH1-OE1 2.67Å; R465-E510 PolarHBondContact NH1-OE1 3.21Å; R465-E510 IonicContact NH1-OE2 3.93Å; R465-E510 PolarHBondContact NH1-OE2 3.48Å; R465-E510 IonicContact NH2-OE1 3.24Å; R465-E510 PolarHBondContact NH2-OE1 3.06Å; R465-E510 IonicContact NH2-OE2 3.82Å; A506-E510 WeakPolarHBondContact O-CB 3.29Å; A506-E510 PolarHBondContact O-N 3.46Å; E510-E512 PolarHBondContact O-N 3.2Å
511	S	89.3	Confident	91.7	Very high	27 Å²	27	45.6 Å²	45.6	19%	0.189	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.8	177.6	77.2	0	0	0	0	114.1	K507 R508 V509 Q513	K507-S511 WeakPolarHBondContact O-CB 3.3Å; K507-S511 PolarHBondContact O-N 3.4Å; K507-S511 VanDerWaalsContact O-N 3.14Å; R508-S511 PolarHBondContact O-N 2.87Å; R508-S511 PolarHBondContact O-OG 3.32Å; V509-S511 PolarHBondContact O-N 2.88Å; S511-Q513 VanDerWaalsContact O-CG 3.31Å; S511-Q513 WeakPolarHBondContact O-CG 3.32Å; S511-Q513 PolarHBondContact O-N 3.31Å; S511-Q513 PolarHBondContact OG-N 2.92Å
512	E	88.1	Confident	91.6	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	24%	0.236	S	C	.	.	S	Bend	trans	52.6	11.2	-172.1	-54.4	-158.4	175	0	0	115.2	N461 R465 V509 E510	N461-E512 WeakPolarHBondContact ND2-CB 3.42Å; N461-E512 VanDerWaalsContact ND2-CG 3.31Å; N461-E512 WeakPolarHBondContact ND2-CG 3.45Å; N461-E512 PolarHBondContact ND2-OE2 2.87Å; R465-E512 IonicContact CZ-OE1 3.88Å; R465-E512 IonicContact NE-OE1 3.79Å; R465-E512 IonicContact NH2-OE1 2.95Å; R465-E512 PolarHBondContact NH2-OE1 3.49Å; V509-E512 PolarHBondContact O-N 2.89Å; E510-E512 PolarHBondContact O-N 3.2Å
513	Q	81.8	Confident	91.5	Very high	112 Å²	112	48.8 Å²	48.8	52%	0.523	26%	0.255	S	S	.	.	S	Bend	trans	-114.5	-22	-173.8	-73.7	167.2	31.4	0	0	113.6	I416 S511	I416-Q513 HydrophobicContact CG2-CB 4.44Å; S511-Q513 VanDerWaalsContact O-CG 3.31Å; S511-Q513 WeakPolarHBondContact O-CG 3.32Å; S511-Q513 PolarHBondContact O-N 3.31Å; S511-Q513 PolarHBondContact OG-N 2.92Å
514	Y	86.8	Confident	91.5	Very high	49 Å²	49	45 Å²	45	19%	0.192	24%	0.239	C	C	.	.	S	Bend	trans	-91	-51.2	-175.9	-167.7	-87.2	0	0	0	112.7	I416 R508 V516 M520	I416-Y514 HydrophobicContact CG1-CD2 4.33Å; R508-Y514 HydrophobicContact CB-CD1 4.18Å; R508-Y514 HydrophobicContact CB-CG 4.26Å; R508-Y514 HydrophobicContact CG-CD1 3.96Å; R508-Y514 HydrophobicContact CG-CD2 4.41Å; R508-Y514 HydrophobicContact CG-CE1 4.47Å; R508-Y514 HydrophobicContact CG-CG 3.92Å; R508-Y514 PolarHBondContact NH1-OH 3.05Å; Y514-V516 PolarHBondContact O-N 3.11Å; Y514-V516 VanDerWaalsContact O-N 3.15Å; Y514-M520 HydrophobicContact CD1-CE 4.5Å; Y514-M520 HydrophobicContact CE1-CE 4.41Å; Y514-M520 WeakPolarHBondContact O-CE 3.44Å
515	Y	90	Very high	91.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.232	C	C	.	.			trans	-87	83.5	-179.5	-59.7	-53.7	0	0	0	111.1	M464 I505 R508 V509 T517 M520 F521 D524	M464-Y515 VanDerWaalsContact SD-CB 3.53Å; M464-Y515 HydrophobicContact SD-CD2 4.36Å; M464-Y515 HydrophobicContact SD-CG 4.16Å; I505-Y515 HydrophobicContact CG2-CE2 4.26Å; R508-Y515 HydrophobicContact CB-CD2 3.93Å; R508-Y515 HydrophobicContact CB-CE1 4.48Å; R508-Y515 HydrophobicContact CB-CE2 3.24Å; R508-Y515 VanDerWaalsContact CD-OH 3.24Å; R508-Y515 WeakPolarHBondContact CD-OH 3.45Å; R508-Y515 HydrophobicContact CG-CE2 4.4Å; V509-Y515 HydrophobicContact CB-CD2 4.46Å; V509-Y515 HydrophobicContact CG2-CD2 3.71Å; V509-Y515 HydrophobicContact CG2-CE2 3.68Å; Y515-T517 VanDerWaalsContact C-N 3.32Å; Y515-M520 HydrophobicContact CD1-CB 3.83Å; Y515-F521 HydrophobicContact CD1-CB 3.85Å; Y515-F521 HydrophobicContact CD2-CB 4.25Å; Y515-F521 HydrophobicContact CD2-CD2 4.02Å; Y515-F521 HydrophobicContact CE1-CB 4.18Å; Y515-F521 AromaticContact CE2-CD2 3.82Å; Y515-F521 HydrophobicContact CE2-CD2 3.82Å; Y515-F521 HydrophobicContact CG-CB 3.91Å; Y515-D524 HydrophobicContact CE1-CB 4.12Å; Y515-D524 WeakPolarHBondContact CE1-OD2 3.34Å; Y515-D524 VanDerWaalsContact CZ-OD2 3.26Å; Y515-D524 PolarHBondContact OH-OD2 3.36Å
516	V	83.5	Confident	91.6	Very high	90 Å²	90	50.4 Å²	50.4	55%	0.545	26%	0.257	S	S	.	.	S	Bend	trans	-74.4	-25.1	176.5	-173.4	0	0	0	0	111.6	L460 Y514 M520	L460-V516 WeakPolarHBondContact CD2-O 3.22Å; Y514-V516 PolarHBondContact O-N 3.11Å; Y514-V516 VanDerWaalsContact O-N 3.15Å; V516-M520 HydrophobicContact CB-SD 4.23Å
517	T	85.3	Confident	91.7	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	26%	0.255	S	S	.	.	S	Bend	trans	-131.2	158.1	173	73.6	0	0	0	0	111.2	Y515 D519 M520	Y515-T517 VanDerWaalsContact C-N 3.32Å; T517-D519 PolarHBondContact O-N 2.93Å; T517-D519 PolarHBondContact OG1-N 3.31Å; T517-M520 PolarHBondContact O-N 3.25Å; T517-M520 PolarHBondContact OG1-N 3.37Å
518	L	89.6	Confident	91.8	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-34.8	173.8	-173.4	62.3	0	0	0	111.7	L460 L463 M464 L467 M520 F521 V522 V557 L561	L460-L518 HydrophobicContact CD1-CB 3.8Å; L460-L518 HydrophobicContact CD1-CD1 4.28Å; L463-L518 HydrophobicContact CD2-CD1 4.39Å; L463-L518 HydrophobicContact CD2-CD2 4.23Å; M464-L518 HydrophobicContact CG-CD1 4.01Å; L467-L518 HydrophobicContact CD1-CD1 4.04Å; L518-M520 VanDerWaalsContact C-N 3.28Å; L518-M520 PolarHBondContact O-N 2.85Å; L518-F521 HydrophobicContact CD1-CD1 4.06Å; L518-F521 WeakPolarHBondContact O-CB 3.4Å; L518-F521 PolarHBondContact O-N 3.33Å; L518-F521 VanDerWaalsContact O-N 3.12Å; L518-V522 HydrophobicContact CD1-CG2 4.45Å; L518-V522 HydrophobicContact CG-CG2 4.14Å; L518-V522 WeakPolarHBondContact O-CG2 3.37Å; L518-V522 PolarHBondContact O-N 3.39Å; L518-V557 HydrophobicContact CD2-CG1 4.47Å; L518-L561 HydrophobicContact CD2-CD2 3.84Å; L518-L561 HydrophobicContact CD2-CG 4.48Å
519	D	88.3	Confident	91.9	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-36	179.5	-53.9	-53	0	0	0	112.6	F444 T517 F521 V522 A523	F444-D519 VanDerWaalsContact CB-OD2 3.29Å; F444-D519 WeakPolarHBondContact CB-OD2 3.34Å; T517-D519 PolarHBondContact O-N 2.93Å; T517-D519 PolarHBondContact OG1-N 3.31Å; D519-F521 VanDerWaalsContact C-N 3.33Å; D519-F521 PolarHBondContact O-N 3.27Å; D519-V522 PolarHBondContact O-N 2.95Å; D519-A523 WeakPolarHBondContact O-CB 3.15Å; D519-A523 PolarHBondContact O-N 3.06Å
520	M	91.2	Very high	92.1	Very high	74 Å²	74	49 Å²	49	37%	0.365	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-38.7	176.6	-65	179.3	69.4	0	0	111.7	Y514 Y515 V516 T517 L518 D524	Y514-M520 HydrophobicContact CD1-CE 4.5Å; Y514-M520 HydrophobicContact CE1-CE 4.41Å; Y514-M520 WeakPolarHBondContact O-CE 3.44Å; Y515-M520 HydrophobicContact CD1-CB 3.83Å; V516-M520 HydrophobicContact CB-SD 4.23Å; T517-M520 PolarHBondContact O-N 3.25Å; T517-M520 PolarHBondContact OG1-N 3.37Å; L518-M520 VanDerWaalsContact C-N 3.28Å; L518-M520 PolarHBondContact O-N 2.85Å; M520-D524 PolarHBondContact O-N 3.12Å
521	F	94.5	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-44.1	176.4	170.3	-99.9	0	0	0	111.6	M464 L467 L468 M471 I505 V509 Y515 L518 D519 A523 D524 A525 F553	M464-F521 HydrophobicContact CB-CD1 4.49Å; M464-F521 HydrophobicContact CB-CD2 4.3Å; M464-F521 HydrophobicContact CB-CE2 4.32Å; M464-F521 HydrophobicContact CB-CG 4.38Å; M464-F521 HydrophobicContact CB-CZ 4.42Å; M464-F521 HydrophobicContact CG-CB 4.2Å; M464-F521 HydrophobicContact CG-CD1 3.99Å; M464-F521 HydrophobicContact CG-CD2 4.31Å; M464-F521 HydrophobicContact CG-CE1 4.42Å; M464-F521 HydrophobicContact CG-CG 3.93Å; M464-F521 HydrophobicContact SD-CB 3.59Å; M464-F521 VanDerWaalsContact SD-CB 3.59Å; M464-F521 HydrophobicContact SD-CD1 4.5Å; M464-F521 HydrophobicContact SD-CD2 4.31Å; M464-F521 HydrophobicContact SD-CG 3.92Å; L467-F521 HydrophobicContact CB-CE1 3.8Å; L467-F521 HydrophobicContact CB-CZ 4.01Å; L467-F521 HydrophobicContact CD1-CE1 3.93Å; L468-F521 HydrophobicContact CB-CE2 4.37Å; L468-F521 HydrophobicContact CB-CZ 4.27Å; M471-F521 HydrophobicContact CE-CE2 4.46Å; M471-F521 HydrophobicContact CE-CZ 3.84Å; I505-F521 HydrophobicContact CG2-CD2 3.95Å; I505-F521 HydrophobicContact CG2-CE2 3.55Å; V509-F521 HydrophobicContact CG2-CD2 3.84Å; V509-F521 HydrophobicContact CG2-CE2 3.7Å; Y515-F521 HydrophobicContact CD1-CB 3.85Å; Y515-F521 HydrophobicContact CD2-CB 4.25Å; Y515-F521 HydrophobicContact CD2-CD2 4.02Å; Y515-F521 HydrophobicContact CE1-CB 4.18Å; Y515-F521 AromaticContact CE2-CD2 3.82Å; Y515-F521 HydrophobicContact CE2-CD2 3.82Å; Y515-F521 HydrophobicContact CG-CB 3.91Å; L518-F521 HydrophobicContact CD1-CD1 4.06Å; L518-F521 WeakPolarHBondContact O-CB 3.4Å; L518-F521 PolarHBondContact O-N 3.33Å; L518-F521 VanDerWaalsContact O-N 3.12Å; D519-F521 VanDerWaalsContact C-N 3.33Å; D519-F521 PolarHBondContact O-N 3.27Å; F521-A523 VanDerWaalsContact C-N 3.33Å; F521-A523 PolarHBondContact O-N 3.29Å; F521-D524 PolarHBondContact O-N 3.03Å; F521-A525 PolarHBondContact O-N 2.88Å; F521-F553 HydrophobicContact CD1-CZ 4.33Å; F521-F553 AromaticContact CE1-CE2 3.74Å; F521-F553 HydrophobicContact CE1-CE2 3.74Å; F521-F553 AromaticContact CE1-CZ 3.97Å; F521-F553 HydrophobicContact CE1-CZ 3.97Å; F521-F553 HydrophobicContact CZ-CE2 4.33Å
522	V	94.9	Very high	92.7	Very high	30 Å²	30	43.3 Å²	43.3	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-38.8	174.9	170.9	0	0	0	0	111.5	L518 D519 A525 R526 F553 V557	L518-V522 HydrophobicContact CD1-CG2 4.45Å; L518-V522 HydrophobicContact CG-CG2 4.14Å; L518-V522 WeakPolarHBondContact O-CG2 3.37Å; L518-V522 PolarHBondContact O-N 3.39Å; D519-V522 PolarHBondContact O-N 2.95Å; V522-A525 PolarHBondContact O-N 3.43Å; V522-R526 WeakPolarHBondContact O-CB 3.46Å; V522-R526 PolarHBondContact O-N 3.34Å; V522-F553 HydrophobicContact CG1-CE1 4.31Å; V522-F553 HydrophobicContact CG2-CE1 4.26Å; V522-F553 HydrophobicContact CG2-CZ 4Å; V522-V557 HydrophobicContact CG2-CG1 4.49Å; V522-V557 HydrophobicContact CG2-CG2 4.33Å
523	A	95.1	Very high	93.1	Very high	49 Å²	49	42 Å²	42	41%	0.405	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-42.2	176.8	0	0	0	0	0	112.5	D519 F521 R526 R527	D519-A523 WeakPolarHBondContact O-CB 3.15Å; D519-A523 PolarHBondContact O-N 3.06Å; F521-A523 VanDerWaalsContact C-N 3.33Å; F521-A523 PolarHBondContact O-N 3.29Å; A523-R526 PolarHBondContact O-N 2.81Å; A523-R527 WeakPolarHBondContact O-CB 3.34Å; A523-R527 PolarHBondContact O-N 2.91Å
524	D	96.9	Very high	93.9	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.043	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-42.8	175	-93.7	-3.1	0	0	0	112	I500 I505 R508 Y515 M520 F521 R527 M528	I500-D524 HydrophobicContact CD1-CB 3.63Å; I500-D524 VanDerWaalsContact CD1-CG 3.4Å; I505-D524 HydrophobicContact CG1-CB 4.45Å; R508-D524 IonicContact CZ-OD2 3.22Å; R508-D524 IonicContact NE-OD2 2.77Å; R508-D524 VanDerWaalsContact NH1-CG 3.34Å; R508-D524 IonicContact NH1-OD1 3.54Å; R508-D524 PolarHBondContact NH1-OD1 3.3Å; R508-D524 IonicContact NH1-OD2 3.96Å; R508-D524 PolarHBondContact NH1-OD2 2.95Å; Y515-D524 HydrophobicContact CE1-CB 4.12Å; Y515-D524 WeakPolarHBondContact CE1-OD2 3.34Å; Y515-D524 VanDerWaalsContact CZ-OD2 3.26Å; Y515-D524 PolarHBondContact OH-OD2 3.36Å; M520-D524 PolarHBondContact O-N 3.12Å; F521-D524 PolarHBondContact O-N 3.03Å; D524-R527 PolarHBondContact O-N 3.31Å; D524-R527 IonicContact OD1-CZ 3.02Å; D524-R527 IonicContact OD1-NH1 3.01Å; D524-R527 IonicContact OD1-NH2 3.96Å; D524-R527 PolarHBondContact OD1-NH2 2.56Å; D524-M528 PolarHBondContact O-N 2.8Å
525	A	97.2	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-44.3	173.9	0	0	0	0	0	111.7	M471 F521 V522 R527 M528 F529 F553	M471-A525 HydrophobicContact SD-CB 4.49Å; F521-A525 PolarHBondContact O-N 2.88Å; V522-A525 PolarHBondContact O-N 3.43Å; A525-R527 VanDerWaalsContact C-N 3.34Å; A525-R527 PolarHBondContact O-N 3.05Å; A525-M528 VanDerWaalsContact O-CB 3.3Å; A525-M528 WeakPolarHBondContact O-CB 3.2Å; A525-M528 PolarHBondContact O-N 2.9Å; A525-F529 HydrophobicContact CB-CE2 4.3Å; A525-F529 WeakPolarHBondContact O-CD2 3.36Å; A525-F529 WeakPolarHBondContact O-CE2 3.07Å; A525-F529 PolarHBondContact O-N 2.85Å; A525-F529 VanDerWaalsContact O-N 3.17Å; A525-F553 HydrophobicContact CB-CD1 4.3Å; A525-F553 HydrophobicContact CB-CE1 3.67Å; A525-F553 HydrophobicContact CB-CE2 4.29Å; A525-F553 HydrophobicContact CB-CZ 3.66Å
526	R	97.2	Very high	94.6	Very high	140 Å²	140	43.2 Å²	43.2	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-64.2	-37	175.7	-161.3	-177.2	75.4	-161	5	112.2	V522 A523 M528 F529 N530	V522-R526 WeakPolarHBondContact O-CB 3.46Å; V522-R526 PolarHBondContact O-N 3.34Å; A523-R526 PolarHBondContact O-N 2.81Å; R526-M528 VanDerWaalsContact C-N 3.34Å; R526-F529 PolarHBondContact O-N 2.86Å; R526-N530 WeakPolarHBondContact O-CB 3.24Å; R526-N530 VanDerWaalsContact O-CG 3.26Å; R526-N530 PolarHBondContact O-N 3.37Å
527	R	97.7	Very high	95.1	Very high	48 Å²	48	42 Å²	42	18%	0.181	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-43	173.4	-175	174.5	68.8	-133	-17.9	111	D498 I500 A523 D524 A525 F529 N530 N531	D498-R527 VanDerWaalsContact CG-CD 3.46Å; D498-R527 VanDerWaalsContact CG-NH1 3.33Å; D498-R527 VanDerWaalsContact O-CD 3.29Å; D498-R527 WeakPolarHBondContact O-CD 3.31Å; D498-R527 PolarHBondContact O-NE 2.96Å; D498-R527 IonicContact OD1-CZ 2.98Å; D498-R527 IonicContact OD1-NE 3.66Å; D498-R527 IonicContact OD1-NH1 2.73Å; D498-R527 PolarHBondContact OD1-NH1 2.85Å; D498-R527 WeakPolarHBondContact OD2-CD 3.32Å; D498-R527 IonicContact OD2-CZ 2.72Å; D498-R527 VanDerWaalsContact OD2-CZ 3.28Å; D498-R527 IonicContact OD2-NE 2.67Å; D498-R527 PolarHBondContact OD2-NE 3.46Å; D498-R527 IonicContact OD2-NH1 3.9Å; D498-R527 PolarHBondContact OD2-NH1 3.38Å; I500-R527 HydrophobicContact CG2-CB 4.11Å; I500-R527 HydrophobicContact CG2-CG 4Å; A523-R527 WeakPolarHBondContact O-CB 3.34Å; A523-R527 PolarHBondContact O-N 2.91Å; D524-R527 PolarHBondContact O-N 3.31Å; D524-R527 IonicContact OD1-CZ 3.02Å; D524-R527 IonicContact OD1-NH1 3.01Å; D524-R527 IonicContact OD1-NH2 3.96Å; D524-R527 PolarHBondContact OD1-NH2 2.56Å; A525-R527 VanDerWaalsContact C-N 3.34Å; A525-R527 PolarHBondContact O-N 3.05Å; R527-F529 PolarHBondContact O-N 2.8Å; R527-N530 PolarHBondContact O-N 3.26Å; R527-N531 WeakPolarHBondContact O-CB 3.2Å; R527-N531 PolarHBondContact O-N 3.31Å; R527-N531 PolarHBondContact O-OD1 2.87Å
528	M	97.9	Very high	95.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-48.2	176.2	-170.9	-177.7	73.7	0	0	112.3	F480 I500 L502 I505 D524 A525 R526 C532	F480-M528 HydrophobicContact CB-CE 4.05Å; F480-M528 HydrophobicContact CB-CG 4.44Å; F480-M528 HydrophobicContact CB-SD 3.79Å; F480-M528 HydrophobicContact CD1-CE 4.15Å; F480-M528 HydrophobicContact CD1-CG 3.75Å; F480-M528 HydrophobicContact CD1-SD 4.14Å; F480-M528 HydrophobicContact CG-CE 4.09Å; F480-M528 HydrophobicContact CG-CG 4.43Å; F480-M528 HydrophobicContact CG-SD 4.24Å; I500-M528 HydrophobicContact CG2-CB 3.92Å; L502-M528 HydrophobicContact CD2-CE 3.86Å; L502-M528 HydrophobicContact CD2-SD 3.91Å; L502-M528 HydrophobicContact CG-CE 4.18Å; L502-M528 HydrophobicContact CG-SD 3.84Å; I505-M528 HydrophobicContact CD1-SD 4.01Å; D524-M528 PolarHBondContact O-N 2.8Å; A525-M528 VanDerWaalsContact O-CB 3.3Å; A525-M528 WeakPolarHBondContact O-CB 3.2Å; A525-M528 PolarHBondContact O-N 2.9Å; R526-M528 VanDerWaalsContact C-N 3.34Å; M528-C532 PolarHBondContact O-N 3.01Å
529	F	97.9	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-42	176.8	-55.6	-49.3	0	0	0	112.6	M471 A525 R526 R527 C532 R533 A546 L549 E550 F553	M471-F529 HydrophobicContact SD-CZ 4.3Å; A525-F529 HydrophobicContact CB-CE2 4.3Å; A525-F529 WeakPolarHBondContact O-CD2 3.36Å; A525-F529 WeakPolarHBondContact O-CE2 3.07Å; A525-F529 PolarHBondContact O-N 2.85Å; A525-F529 VanDerWaalsContact O-N 3.17Å; R526-F529 PolarHBondContact O-N 2.86Å; R527-F529 PolarHBondContact O-N 2.8Å; F529-C532 PolarHBondContact O-N 3.01Å; F529-R533 WeakPolarHBondContact O-CG 3.24Å; F529-R533 PolarHBondContact O-N 3.35Å; F529-A546 HydrophobicContact CD1-CB 4.42Å; F529-L549 HydrophobicContact CE1-CB 3.91Å; F529-L549 HydrophobicContact CE1-CD2 3.86Å; F529-L549 HydrophobicContact CE1-CG 3.65Å; F529-L549 HydrophobicContact CZ-CB 4.43Å; F529-L549 HydrophobicContact CZ-CD2 4.44Å; F529-L549 HydrophobicContact CZ-CG 3.93Å; F529-E550 HydrophobicContact CB-CB 4.36Å; F529-E550 HydrophobicContact CD1-CB 4.26Å; F529-E550 HydrophobicContact CD2-CB 3.51Å; F529-E550 HydrophobicContact CD2-CG 3.58Å; F529-E550 HydrophobicContact CE1-CB 4.49Å; F529-E550 HydrophobicContact CE2-CB 3.8Å; F529-E550 HydrophobicContact CE2-CG 4Å; F529-E550 HydrophobicContact CG-CB 3.79Å; F529-E550 HydrophobicContact CG-CG 4.22Å; F529-E550 HydrophobicContact CZ-CB 4.29Å; F529-F553 HydrophobicContact CE2-CB 4.34Å; F529-F553 HydrophobicContact CE2-CD1 4.1Å; F529-F553 HydrophobicContact CE2-CG 4.39Å; F529-F553 HydrophobicContact CZ-CB 4.33Å
530	N	97.6	Very high	96.3	Very high	59 Å²	59	46.3 Å²	46.3	32%	0.316	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-45.7	178.9	-74.9	-5.1	0	0	0	112.2	R526 R527 C532 R533 T534	R526-N530 WeakPolarHBondContact O-CB 3.24Å; R526-N530 VanDerWaalsContact O-CG 3.26Å; R526-N530 PolarHBondContact O-N 3.37Å; R527-N530 PolarHBondContact O-N 3.26Å; N530-C532 VanDerWaalsContact C-N 3.25Å; N530-C532 PolarHBondContact O-N 3.09Å; N530-R533 CarbonylContact O-C 3.54Å; N530-R533 PolarHBondContact O-N 2.86Å; N530-R533 VanDerWaalsContact O-N 3.07Å; N530-R533 PolarHBondContact OD1-NH2 2.75Å; N530-T534 WeakPolarHBondContact O-CB 2.95Å; N530-T534 PolarHBondContact O-N 2.85Å; N530-T534 PolarHBondContact O-OG1 2.93Å
531	N	97.6	Very high	96.6	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-55	-43.5	175.9	-72.5	-5.9	0	0	0	111.5	I496 D498 R527 T534 Y535	I496-N531 HydrophobicContact CD1-CB 4.23Å; I496-N531 WeakPolarHBondContact CD1-O 3.46Å; I496-N531 HydrophobicContact CG2-CB 3.89Å; D498-N531 PolarHBondContact O-ND2 3.25Å; R527-N531 WeakPolarHBondContact O-CB 3.2Å; R527-N531 PolarHBondContact O-N 3.31Å; R527-N531 PolarHBondContact O-OD1 2.87Å; N531-T534 PolarHBondContact O-N 2.6Å; N531-Y535 PolarHBondContact O-N 2.88Å; N531-Y535 VanDerWaalsContact O-N 3.1Å
532	C	97.4	Very high	96.7	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-45	176.2	-175.9	0	0	0	0	112.2	F480 M528 F529 N530 T534 N536 Y542 A546	F480-C532 HydrophobicContact CE1-CB 3.74Å; F480-C532 HydrophobicContact CZ-CB 4.32Å; M528-C532 PolarHBondContact O-N 3.01Å; F529-C532 PolarHBondContact O-N 3.01Å; N530-C532 VanDerWaalsContact C-N 3.25Å; N530-C532 PolarHBondContact O-N 3.09Å; C532-T534 VanDerWaalsContact C-N 3.34Å; C532-T534 PolarHBondContact O-N 3.16Å; C532-N536 VanDerWaalsContact O-CB 3.31Å; C532-N536 WeakPolarHBondContact O-CB 3.47Å; C532-N536 PolarHBondContact O-N 2.83Å; C532-N536 PolarHBondContact O-ND2 2.8Å; C532-Y542 PolarHBondContact SG-O 2.72Å; C532-A546 HydrophobicContact CB-CB 4.1Å
533	R	97.5	Very high	96.8	Very high	56 Å²	56	53.6 Å²	53.6	21%	0.211	27%	0.274	C	S	.	.	H	α-helix	trans	-71.9	-21.2	176.6	-68.9	-169.7	-69.2	-140.8	-6.7	114.8	F529 N530 Y543 A546 E550	F529-R533 WeakPolarHBondContact O-CG 3.24Å; F529-R533 PolarHBondContact O-N 3.35Å; N530-R533 CarbonylContact O-C 3.54Å; N530-R533 PolarHBondContact O-N 2.86Å; N530-R533 VanDerWaalsContact O-N 3.07Å; N530-R533 PolarHBondContact OD1-NH2 2.75Å; R533-Y543 HydrophobicContact CB-CD2 3.77Å; R533-Y543 HydrophobicContact CB-CE2 3.54Å; R533-Y543 HydrophobicContact CG-CD1 4.35Å; R533-Y543 HydrophobicContact CG-CD2 3.6Å; R533-Y543 HydrophobicContact CG-CE1 4.28Å; R533-Y543 HydrophobicContact CG-CE2 3.53Å; R533-Y543 HydrophobicContact CG-CG 4.01Å; R533-A546 HydrophobicContact CG-CB 4.15Å; R533-E550 IonicContact CZ-OE2 3.97Å; R533-E550 IonicContact NH1-OE2 2.8Å; R533-E550 PolarHBondContact NH1-OE2 2.94Å; R533-E550 VanDerWaalsContact NH2-CD 3.3Å; R533-E550 IonicContact NH2-OE1 3.73Å; R533-E550 PolarHBondContact NH2-OE1 3.03Å; R533-E550 VanDerWaalsContact NH2-OE1 3.13Å; R533-E550 IonicContact NH2-OE2 3.17Å; R533-E550 PolarHBondContact NH2-OE2 3.16Å
534	T	96.6	Very high	97	Very high	96 Å²	96	55.8 Å²	55.8	59%	0.589	27%	0.274	S	S	*	.	H	α-helix	trans	-79	-37.7	175.3	-62.9	0	0	0	0	111.5	I496 N530 N531 C532	I496-T534 HydrophobicContact CD1-CG2 3.9Å; N530-T534 WeakPolarHBondContact O-CB 2.95Å; N530-T534 PolarHBondContact O-N 2.85Å; N530-T534 PolarHBondContact O-OG1 2.93Å; N531-T534 PolarHBondContact O-N 2.6Å; C532-T534 VanDerWaalsContact C-N 3.34Å; C532-T534 PolarHBondContact O-N 3.16Å
535	Y	96.8	Very high	97	Very high	64 Å²	64	55.4 Å²	55.4	25%	0.251	27%	0.272	S	S	.	.	H	α-helix	trans	-82.7	-38.7	178.3	-175.4	-89.3	0	0	0	112.8	V489 D491 Y492 I495 N531	V489-Y535 HydrophobicContact CG1-CE1 3.7Å; V489-Y535 HydrophobicContact CG1-CE2 4.12Å; V489-Y535 WeakPolarHBondContact CG1-OH 3.29Å; D491-Y535 WeakPolarHBondContact OD1-CE2 3.27Å; D491-Y535 PolarHBondContact OD1-OH 3.33Å; Y492-Y535 HydrophobicContact CD2-CD1 4.07Å; Y492-Y535 AromaticContact CD2-CD2 3.62Å; Y492-Y535 HydrophobicContact CD2-CD2 3.62Å; Y492-Y535 HydrophobicContact CD2-CE1 4.43Å; Y492-Y535 HydrophobicContact CD2-CE2 4.01Å; Y492-Y535 AromaticContact CD2-CG 3.68Å; Y492-Y535 HydrophobicContact CD2-CG 3.68Å; Y492-Y535 HydrophobicContact CE2-CD1 4.37Å; Y492-Y535 HydrophobicContact CE2-CD2 4.23Å; Y492-Y535 AromaticContact CE2-CG 3.91Å; Y492-Y535 HydrophobicContact CE2-CG 3.91Å; Y492-Y535 HydrophobicContact CG-CD2 4.49Å; I495-Y535 HydrophobicContact CB-CD2 4.2Å; I495-Y535 HydrophobicContact CD1-CD2 3.93Å; I495-Y535 HydrophobicContact CD1-CE2 3.84Å; I495-Y535 HydrophobicContact CG2-CD2 4.29Å; N531-Y535 PolarHBondContact O-N 2.88Å; N531-Y535 VanDerWaalsContact O-N 3.1Å
536	N	96.1	Very high	97	Very high	29 Å²	29	55.4 Å²	55.4	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-100.7	143.9	-173.7	-61.5	-88.4	0	0	0	112.7	C532 T540 Y542 Y543	C532-N536 VanDerWaalsContact O-CB 3.31Å; C532-N536 WeakPolarHBondContact O-CB 3.47Å; C532-N536 PolarHBondContact O-N 2.83Å; C532-N536 PolarHBondContact O-ND2 2.8Å; N536-T540 HydrophobicContact CB-CG2 4.29Å; N536-T540 WeakPolarHBondContact CB-OG1 3Å; N536-Y542 WeakPolarHBondContact OD1-CD2 3.33Å; N536-Y543 WeakPolarHBondContact O-CD2 3.45Å
537	S	94.6	Very high	97	Very high	66 Å²	66	51.1 Å²	51.1	46%	0.462	26%	0.262	S	S	.	.			trans	-72.8	151	174.6	-178.4	0	0	0	0	112.5	D539 T540 Y543	S537-D539 WeakPolarHBondContact CB-OD1 3.5Å; S537-D539 PolarHBondContact O-N 2.9Å; S537-D539 VanDerWaalsContact O-N 3.11Å; S537-D539 PolarHBondContact OG-OD1 3.42Å; S537-T540 WeakPolarHBondContact O-CB 3.42Å; S537-T540 VanDerWaalsContact O-CG2 3.32Å; S537-T540 WeakPolarHBondContact O-CG2 3.37Å; S537-T540 PolarHBondContact O-N 2.86Å; S537-T540 PolarHBondContact O-OG1 3.17Å; S537-Y543 WeakPolarHBondContact O-CB 3.38Å
538	P	95.8	Very high	97	Very high	79 Å²	79	54.5 Å²	54.5	51%	0.513	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.4	-175.1	-28.8	37	0	0	0	117.1	T540 Y543	P538-T540 VanDerWaalsContact C-N 3.35Å; P538-Y543 HydrophobicContact CB-CD1 4.24Å; P538-Y543 HydrophobicContact CB-CD2 4.42Å; P538-Y543 HydrophobicContact CB-CE1 4.14Å; P538-Y543 HydrophobicContact CB-CE2 4.32Å; P538-Y543 HydrophobicContact CB-CG 4.41Å; P538-Y543 HydrophobicContact CG-CD2 4.3Å; P538-Y543 HydrophobicContact CG-CE2 3.93Å
539	D	95.6	Very high	97	Very high	106 Å²	106	54.3 Å²	54.3	57%	0.567	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.1	177.2	60.8	-59.8	0	0	0	113.2	S537 K544	S537-D539 WeakPolarHBondContact CB-OD1 3.5Å; S537-D539 PolarHBondContact O-N 2.9Å; S537-D539 VanDerWaalsContact O-N 3.11Å; S537-D539 PolarHBondContact OG-OD1 3.42Å; D539-K544 WeakPolarHBondContact O-CE 3.38Å; D539-K544 PolarHBondContact O-NZ 2.88Å
540	T	96.3	Very high	97	Very high	36 Å²	36	55.3 Å²	55.3	22%	0.221	28%	0.278	C	S	.	.	S	Bend	trans	-65.2	154.2	-177.9	66.6	0	0	0	0	113.3	N536 S537 P538 Y542 Y543 K544	N536-T540 HydrophobicContact CB-CG2 4.29Å; N536-T540 WeakPolarHBondContact CB-OG1 3Å; S537-T540 WeakPolarHBondContact O-CB 3.42Å; S537-T540 VanDerWaalsContact O-CG2 3.32Å; S537-T540 WeakPolarHBondContact O-CG2 3.37Å; S537-T540 PolarHBondContact O-N 2.86Å; S537-T540 PolarHBondContact O-OG1 3.17Å; P538-T540 VanDerWaalsContact C-N 3.35Å; T540-Y542 VanDerWaalsContact C-N 3.28Å; T540-Y542 PolarHBondContact O-N 3.49Å; T540-Y543 WeakPolarHBondContact OG1-CB 3.48Å; T540-Y543 PolarHBondContact OG1-N 3.21Å; T540-K544 WeakPolarHBondContact O-CD 3.27Å; T540-K544 WeakPolarHBondContact O-CG 3.25Å; T540-K544 PolarHBondContact O-N 3.42Å
541	I	97.1	Very high	97	Very high	95 Å²	95	57 Å²	57	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-37.9	171.8	-168.5	165.3	0	0	0	111.6	W478 K544 C545	W478-I541 HydrophobicContact CZ2-CD1 4.24Å; W478-I541 HydrophobicContact CZ2-CG1 4.45Å; W478-I541 HydrophobicContact CZ2-CG2 4.3Å; I541-K544 PolarHBondContact O-N 2.82Å; I541-C545 WeakPolarHBondContact O-CB 3.44Å; I541-C545 PolarHBondContact O-N 2.85Å; I541-C545 PolarHBondContact O-SG 3Å
542	Y	96.9	Very high	96.9	Very high	96 Å²	96	58.3 Å²	58.3	38%	0.376	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-48.4	-179.3	-59.3	-69	0	0	0	112.9	W478 P479 C532 N536 T540 K544 C545 A546	W478-Y542 HydrophobicContact CH2-CD1 4.1Å; W478-Y542 AromaticContact CH2-CE1 3.37Å; W478-Y542 HydrophobicContact CH2-CE1 3.37Å; W478-Y542 AromaticContact CH2-CZ 3.97Å; W478-Y542 HydrophobicContact CZ2-CE1 4.3Å; W478-Y542 AromaticContact CZ3-CE1 3.74Å; W478-Y542 HydrophobicContact CZ3-CE1 3.74Å; P479-Y542 HydrophobicContact CB-CD1 3.85Å; P479-Y542 HydrophobicContact CB-CE1 4.21Å; P479-Y542 HydrophobicContact CG-CD1 3.99Å; P479-Y542 HydrophobicContact CG-CE1 4.41Å; C532-Y542 PolarHBondContact SG-O 2.72Å; N536-Y542 WeakPolarHBondContact OD1-CD2 3.33Å; T540-Y542 VanDerWaalsContact C-N 3.28Å; T540-Y542 PolarHBondContact O-N 3.49Å; Y542-K544 VanDerWaalsContact C-N 3.32Å; Y542-K544 PolarHBondContact O-N 2.85Å; Y542-C545 PolarHBondContact O-N 2.81Å; Y542-A546 PolarHBondContact O-N 3.18Å
543	Y	97.8	Very high	96.9	Very high	67 Å²	67	57.9 Å²	57.9	26%	0.263	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177	-169.9	-73.5	0	0	0	111.8	R533 N536 S537 P538 T540 A546 T547	R533-Y543 HydrophobicContact CB-CD2 3.77Å; R533-Y543 HydrophobicContact CB-CE2 3.54Å; R533-Y543 HydrophobicContact CG-CD1 4.35Å; R533-Y543 HydrophobicContact CG-CD2 3.6Å; R533-Y543 HydrophobicContact CG-CE1 4.28Å; R533-Y543 HydrophobicContact CG-CE2 3.53Å; R533-Y543 HydrophobicContact CG-CG 4.01Å; N536-Y543 WeakPolarHBondContact O-CD2 3.45Å; S537-Y543 WeakPolarHBondContact O-CB 3.38Å; P538-Y543 HydrophobicContact CB-CD1 4.24Å; P538-Y543 HydrophobicContact CB-CD2 4.42Å; P538-Y543 HydrophobicContact CB-CE1 4.14Å; P538-Y543 HydrophobicContact CB-CE2 4.32Å; P538-Y543 HydrophobicContact CB-CG 4.41Å; P538-Y543 HydrophobicContact CG-CD2 4.3Å; P538-Y543 HydrophobicContact CG-CE2 3.93Å; T540-Y543 WeakPolarHBondContact OG1-CB 3.48Å; T540-Y543 PolarHBondContact OG1-N 3.21Å; Y543-A546 PolarHBondContact O-N 3.42Å; Y543-T547 PolarHBondContact O-N 3.36Å; Y543-T547 PolarHBondContact O-OG1 3.47Å
544	K	97.8	Very high	96.7	Very high	94 Å²	94	59 Å²	59	41%	0.409	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-41.8	178	-69.9	166.8	179.7	164	0	111.6	D539 T540 I541 Y542 T547 R548	D539-K544 WeakPolarHBondContact O-CE 3.38Å; D539-K544 PolarHBondContact O-NZ 2.88Å; T540-K544 WeakPolarHBondContact O-CD 3.27Å; T540-K544 WeakPolarHBondContact O-CG 3.25Å; T540-K544 PolarHBondContact O-N 3.42Å; I541-K544 PolarHBondContact O-N 2.82Å; Y542-K544 VanDerWaalsContact C-N 3.32Å; Y542-K544 PolarHBondContact O-N 2.85Å; K544-T547 PolarHBondContact O-N 3.39Å; K544-R548 PolarHBondContact O-N 3.16Å
545	C	97.6	Very high	96.6	Very high	1 Å²	1	58 Å²	58	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-45.1	173.1	-70.4	0	0	0	0	111.8	D476 P479 F480 I541 Y542 T547 R548 L549	D476-C545 HydrophobicContact CB-CB 3.87Å; D476-C545 PolarHBondContact OD1-SG 3.41Å; P479-C545 HydrophobicContact CG-CB 4.29Å; F480-C545 HydrophobicContact CE2-CB 4.24Å; I541-C545 WeakPolarHBondContact O-CB 3.44Å; I541-C545 PolarHBondContact O-N 2.85Å; I541-C545 PolarHBondContact O-SG 3Å; Y542-C545 PolarHBondContact O-N 2.81Å; C545-T547 VanDerWaalsContact C-N 3.34Å; C545-T547 PolarHBondContact O-N 2.93Å; C545-R548 PolarHBondContact O-N 3.35Å; C545-L549 VanDerWaalsContact O-CB 3.27Å; C545-L549 WeakPolarHBondContact O-CB 3.27Å; C545-L549 PolarHBondContact O-N 2.99Å
546	A	97.9	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-47.5	176	0	0	0	0	0	111.6	F480 F529 C532 R533 Y542 Y543 E550	F480-A546 HydrophobicContact CE1-CB 4.36Å; F480-A546 HydrophobicContact CZ-CB 3.76Å; F529-A546 HydrophobicContact CD1-CB 4.42Å; C532-A546 HydrophobicContact CB-CB 4.1Å; R533-A546 HydrophobicContact CG-CB 4.15Å; Y542-A546 PolarHBondContact O-N 3.18Å; Y543-A546 PolarHBondContact O-N 3.42Å; A546-E550 VanDerWaalsContact O-CB 3.26Å; A546-E550 WeakPolarHBondContact O-CB 3.03Å; A546-E550 PolarHBondContact O-N 3.39Å
547	T	97.3	Very high	96.2	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-43.8	-177.9	-54.6	0	0	0	0	112.1	Y543 K544 C545 T551	Y543-T547 PolarHBondContact O-N 3.36Å; Y543-T547 PolarHBondContact O-OG1 3.47Å; K544-T547 PolarHBondContact O-N 3.39Å; C545-T547 VanDerWaalsContact C-N 3.34Å; C545-T547 PolarHBondContact O-N 2.93Å; T547-T551 PolarHBondContact O-N 3.26Å; T547-T551 PolarHBondContact O-OG1 2.91Å
548	R	97.7	Very high	96	Very high	118 Å²	118	60.1 Å²	60.1	45%	0.445	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-43.4	177.2	-72.3	-169.1	-62.6	-97.2	-1.1	112.3	D476 K544 C545 T551 H552	D476-R548 IonicContact OD1-CZ 2.61Å; D476-R548 IonicContact OD1-NE 3.85Å; D476-R548 PolarHBondContact OD1-NE 3.39Å; D476-R548 IonicContact OD1-NH2 2.74Å; D476-R548 PolarHBondContact OD1-NH2 3.47Å; D476-R548 WeakPolarHBondContact OD2-CB 3.32Å; D476-R548 IonicContact OD2-CZ 2.73Å; D476-R548 IonicContact OD2-NE 3.31Å; D476-R548 PolarHBondContact OD2-NE 2.85Å; D476-R548 IonicContact OD2-NH2 2.73Å; K544-R548 PolarHBondContact O-N 3.16Å; C545-R548 PolarHBondContact O-N 3.35Å; R548-T551 PolarHBondContact O-N 3.27Å; R548-H552 PolarHBondContact O-N 3.04Å
549	L	97.8	Very high	95.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-36.5	179.6	-176.1	54.7	0	0	0	112.2	M471 H474 A477 F480 F529 C545 H552 F553	M471-L549 HydrophobicContact CB-CD1 4.32Å; M471-L549 HydrophobicContact CG-CD1 4.32Å; H474-L549 HydrophobicContact CB-CD1 3.72Å; A477-L549 HydrophobicContact CB-CD2 4.07Å; F480-L549 HydrophobicContact CD2-CD2 3.73Å; F480-L549 HydrophobicContact CE2-CD2 4.04Å; F529-L549 HydrophobicContact CE1-CB 3.91Å; F529-L549 HydrophobicContact CE1-CD2 3.86Å; F529-L549 HydrophobicContact CE1-CG 3.65Å; F529-L549 HydrophobicContact CZ-CB 4.43Å; F529-L549 HydrophobicContact CZ-CD2 4.44Å; F529-L549 HydrophobicContact CZ-CG 3.93Å; C545-L549 VanDerWaalsContact O-CB 3.27Å; C545-L549 WeakPolarHBondContact O-CB 3.27Å; C545-L549 PolarHBondContact O-N 2.99Å; L549-H552 PolarHBondContact O-N 3.24Å; L549-F553 VanDerWaalsContact O-CB 3.24Å; L549-F553 WeakPolarHBondContact O-CB 3.26Å; L549-F553 PolarHBondContact O-N 2.84Å
550	E	97.6	Very high	95.1	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-43.7	173.5	-175.6	174.5	-128.9	0	0	112	F529 R533 A546 F553 H554	F529-E550 HydrophobicContact CB-CB 4.36Å; F529-E550 HydrophobicContact CD1-CB 4.26Å; F529-E550 HydrophobicContact CD2-CB 3.51Å; F529-E550 HydrophobicContact CD2-CG 3.58Å; F529-E550 HydrophobicContact CE1-CB 4.49Å; F529-E550 HydrophobicContact CE2-CB 3.8Å; F529-E550 HydrophobicContact CE2-CG 4Å; F529-E550 HydrophobicContact CG-CB 3.79Å; F529-E550 HydrophobicContact CG-CG 4.22Å; F529-E550 HydrophobicContact CZ-CB 4.29Å; R533-E550 IonicContact CZ-OE2 3.97Å; R533-E550 IonicContact NH1-OE2 2.8Å; R533-E550 PolarHBondContact NH1-OE2 2.94Å; R533-E550 VanDerWaalsContact NH2-CD 3.3Å; R533-E550 IonicContact NH2-OE1 3.73Å; R533-E550 PolarHBondContact NH2-OE1 3.03Å; R533-E550 VanDerWaalsContact NH2-OE1 3.13Å; R533-E550 IonicContact NH2-OE2 3.17Å; R533-E550 PolarHBondContact NH2-OE2 3.16Å; A546-E550 VanDerWaalsContact O-CB 3.26Å; A546-E550 WeakPolarHBondContact O-CB 3.03Å; A546-E550 PolarHBondContact O-N 3.39Å; E550-F553 PolarHBondContact O-N 2.68Å; E550-H554 VanDerWaalsContact CG-CE1 3.47Å; E550-H554 WeakPolarHBondContact CG-CE1 3.39Å; E550-H554 PolarHBondContact O-N 3.2Å; E550-H554 PolarHBondContact O-ND1 3.39Å; E550-H554 IonicContact OE1-CE1 3.58Å
551	T	96.8	Very high	94.3	Very high	93 Å²	93	54.9 Å²	54.9	57%	0.571	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-45.3	175.6	-62.7	0	0	0	0	111.8	T547 R548 H554 S555	T547-T551 PolarHBondContact O-N 3.26Å; T547-T551 PolarHBondContact O-OG1 2.91Å; R548-T551 PolarHBondContact O-N 3.27Å; T551-H554 PolarHBondContact O-N 3.23Å; T551-S555 PolarHBondContact O-N 3.47Å
552	H	96.5	Very high	93.3	Very high	47 Å²	47	56.2 Å²	56.2	22%	0.218	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-45.4	174.6	177.1	-107.7	0	0	0	111.5	T470 H474 R548 L549 S555 K556	T470-H552 PolarHBondContact O-CE1 3.4Å; H474-H552 AromaticContact CD2-CE1 3.88Å; H474-H552 AromaticContact CD2-CG 3.63Å; H474-H552 AromaticContact CD2-ND1 3.54Å; H474-H552 AromaticContact NE2-CG 3.93Å; R548-H552 PolarHBondContact O-N 3.04Å; L549-H552 PolarHBondContact O-N 3.24Å; H552-S555 WeakPolarHBondContact O-CB 3.14Å; H552-S555 PolarHBondContact O-N 2.9Å; H552-K556 WeakPolarHBondContact NE2-CE 3.29Å; H552-K556 WeakPolarHBondContact O-CG 3.18Å; H552-K556 PolarHBondContact O-N 2.99Å
553	F	96.3	Very high	92	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-50.9	177.3	173.9	-110.3	0	0	0	112.2	L467 M471 F521 V522 A525 F529 L549 E550 S555 K556 V557	L467-F553 HydrophobicContact CB-CE2 4.43Å; M471-F553 HydrophobicContact CE-CD2 4.04Å; M471-F553 HydrophobicContact CE-CE2 3.9Å; M471-F553 HydrophobicContact CG-CB 4.39Å; M471-F553 HydrophobicContact CG-CD2 3.81Å; M471-F553 HydrophobicContact CG-CG 4.46Å; M471-F553 HydrophobicContact SD-CB 4.28Å; M471-F553 HydrophobicContact SD-CD2 3.36Å; M471-F553 WeakPolarHBondContact SD-CD2 3.27Å; M471-F553 HydrophobicContact SD-CE2 3.79Å; M471-F553 HydrophobicContact SD-CG 3.92Å; F521-F553 HydrophobicContact CD1-CZ 4.33Å; F521-F553 AromaticContact CE1-CE2 3.74Å; F521-F553 HydrophobicContact CE1-CE2 3.74Å; F521-F553 AromaticContact CE1-CZ 3.97Å; F521-F553 HydrophobicContact CE1-CZ 3.97Å; F521-F553 HydrophobicContact CZ-CE2 4.33Å; V522-F553 HydrophobicContact CG1-CE1 4.31Å; V522-F553 HydrophobicContact CG2-CE1 4.26Å; V522-F553 HydrophobicContact CG2-CZ 4Å; A525-F553 HydrophobicContact CB-CD1 4.3Å; A525-F553 HydrophobicContact CB-CE1 3.67Å; A525-F553 HydrophobicContact CB-CE2 4.29Å; A525-F553 HydrophobicContact CB-CZ 3.66Å; F529-F553 HydrophobicContact CE2-CB 4.34Å; F529-F553 HydrophobicContact CE2-CD1 4.1Å; F529-F553 HydrophobicContact CE2-CG 4.39Å; F529-F553 HydrophobicContact CZ-CB 4.33Å; L549-F553 VanDerWaalsContact O-CB 3.24Å; L549-F553 WeakPolarHBondContact O-CB 3.26Å; L549-F553 PolarHBondContact O-N 2.84Å; E550-F553 PolarHBondContact O-N 2.68Å; F553-S555 VanDerWaalsContact C-N 3.32Å; F553-S555 PolarHBondContact O-N 2.85Å; F553-K556 PolarHBondContact O-N 3.22Å; F553-K556 VanDerWaalsContact O-N 3.14Å; F553-V557 HydrophobicContact CD1-CG2 4.34Å; F553-V557 HydrophobicContact CD2-CG2 4.17Å; F553-V557 HydrophobicContact CE1-CG2 3.96Å; F553-V557 HydrophobicContact CE2-CG2 3.78Å; F553-V557 HydrophobicContact CG-CG2 4.46Å; F553-V557 HydrophobicContact CZ-CG2 3.67Å; F553-V557 WeakPolarHBondContact O-CG2 3.46Å; F553-V557 PolarHBondContact O-N 2.82Å
554	H	93.9	Very high	90.1	Very high	78 Å²	78	53 Å²	53	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-42.1	177.6	-76.4	129.6	0	0	0	112.3	E550 T551 K556 V557 Q558	E550-H554 VanDerWaalsContact CG-CE1 3.47Å; E550-H554 WeakPolarHBondContact CG-CE1 3.39Å; E550-H554 PolarHBondContact O-N 3.2Å; E550-H554 PolarHBondContact O-ND1 3.39Å; E550-H554 IonicContact OE1-CE1 3.58Å; T551-H554 PolarHBondContact O-N 3.23Å; H554-K556 PolarHBondContact O-N 3.35Å; H554-V557 PolarHBondContact O-N 3.15Å; H554-Q558 WeakPolarHBondContact O-CG 3.43Å; H554-Q558 PolarHBondContact O-N 2.96Å
555	S	94.2	Very high	88	Confident	75 Å²	75	52.1 Å²	52.1	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-44.8	174.6	178.5	0	0	0	0	112.1	T551 H552 F553 Q558 A559	T551-S555 PolarHBondContact O-N 3.47Å; H552-S555 WeakPolarHBondContact O-CB 3.14Å; H552-S555 PolarHBondContact O-N 2.9Å; F553-S555 VanDerWaalsContact C-N 3.32Å; F553-S555 PolarHBondContact O-N 2.85Å; S555-Q558 PolarHBondContact O-N 2.75Å; S555-A559 WeakPolarHBondContact O-CB 3.1Å; S555-A559 PolarHBondContact O-N 3.41Å
556	K	93.6	Very high	85.5	Confident	85 Å²	85	60.3 Å²	60.3	37%	0.37	33%	0.333	S	S	.	.	H	α-helix	trans	-68.4	-36.6	177.2	-63.3	-58.7	-179.3	-173.1	0	113.1	L467 H552 F553 H554 A559 G560	L467-K556 HydrophobicContact CD2-CB 3.68Å; H552-K556 WeakPolarHBondContact NE2-CE 3.29Å; H552-K556 WeakPolarHBondContact O-CG 3.18Å; H552-K556 PolarHBondContact O-N 2.99Å; F553-K556 PolarHBondContact O-N 3.22Å; F553-K556 VanDerWaalsContact O-N 3.14Å; H554-K556 PolarHBondContact O-N 3.35Å; K556-A559 PolarHBondContact O-N 3.46Å; K556-G560 PolarHBondContact O-N 3.42Å
557	V	91.3	Very high	83	Confident	11 Å²	11	65.2 Å²	65.2	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-49.5	173.6	170.8	0	0	0	0	110.3	L467 L518 V522 F553 H554 A559 G560 L561	L467-V557 HydrophobicContact CD1-CG2 3.98Å; L467-V557 HydrophobicContact CD2-CG2 4.09Å; L518-V557 HydrophobicContact CD2-CG1 4.47Å; V522-V557 HydrophobicContact CG2-CG1 4.49Å; V522-V557 HydrophobicContact CG2-CG2 4.33Å; F553-V557 HydrophobicContact CD1-CG2 4.34Å; F553-V557 HydrophobicContact CD2-CG2 4.17Å; F553-V557 HydrophobicContact CE1-CG2 3.96Å; F553-V557 HydrophobicContact CE2-CG2 3.78Å; F553-V557 HydrophobicContact CG-CG2 4.46Å; F553-V557 HydrophobicContact CZ-CG2 3.67Å; F553-V557 WeakPolarHBondContact O-CG2 3.46Å; F553-V557 PolarHBondContact O-N 2.82Å; H554-V557 PolarHBondContact O-N 3.15Å; V557-A559 PolarHBondContact O-N 3.02Å; V557-G560 PolarHBondContact O-N 3.39Å; V557-L561 HydrophobicContact CG1-CD1 4.09Å; V557-L561 WeakPolarHBondContact O-CG 3.42Å; V557-L561 PolarHBondContact O-N 3.21Å
558	Q	89.5	Confident	80	Confident	108 Å²	108	71.3 Å²	71.3	51%	0.505	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-43.4	178.5	-67	-60.7	-24.9	0	0	112.2	H554 S555 G560 L561 Q562	H554-Q558 WeakPolarHBondContact O-CG 3.43Å; H554-Q558 PolarHBondContact O-N 2.96Å; S555-Q558 PolarHBondContact O-N 2.75Å; Q558-G560 VanDerWaalsContact C-N 3.34Å; Q558-G560 PolarHBondContact O-N 3.31Å; Q558-L561 PolarHBondContact O-N 3.18Å; Q558-Q562 WeakPolarHBondContact O-CG 3.32Å; Q558-Q562 PolarHBondContact O-N 2.96Å; Q558-Q562 VanDerWaalsContact O-N 3.09Å
559	A	89.2	Confident	79.1	Confident	52 Å²	52	69 Å²	69	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-38.9	175.5	0	0	0	0	0	112.9	S555 K556 V557 Q562 S563	S555-A559 WeakPolarHBondContact O-CB 3.1Å; S555-A559 PolarHBondContact O-N 3.41Å; K556-A559 PolarHBondContact O-N 3.46Å; V557-A559 PolarHBondContact O-N 3.02Å; A559-Q562 PolarHBondContact O-N 3.17Å; A559-S563 PolarHBondContact O-N 3.3Å; A559-S563 PolarHBondContact O-OG 3.08Å
560	G	83.4	Confident	78.1	Confident	12 Å²	12	72.6 Å²	72.6	12%	0.124	41%	0.41	C	S	.	.	H	α-helix	trans	-68.8	-33.8	177	0	0	0	0	0	113.9	K556 V557 Q558 S563 G564	K556-G560 PolarHBondContact O-N 3.42Å; V557-G560 PolarHBondContact O-N 3.39Å; Q558-G560 VanDerWaalsContact C-N 3.34Å; Q558-G560 PolarHBondContact O-N 3.31Å; G560-S563 PolarHBondContact O-OG 3.17Å; G560-S563 VanDerWaalsContact O-OG 3.13Å; G560-G564 PolarHBondContact O-N 3.01Å
561	L	79.8	Confident	77	Confident	48 Å²	48	75.4 Å²	75.4	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-67.1	-40.7	172.4	-67.7	171	0	0	0	111.3	L446 L518 V557 Q558 A565	L446-L561 HydrophobicContact CD1-CD2 3.59Å; L446-L561 HydrophobicContact CD2-CD2 3.71Å; L446-L561 HydrophobicContact CG-CD2 4.31Å; L518-L561 HydrophobicContact CD2-CD2 3.84Å; L518-L561 HydrophobicContact CD2-CG 4.48Å; V557-L561 HydrophobicContact CG1-CD1 4.09Å; V557-L561 WeakPolarHBondContact O-CG 3.42Å; V557-L561 PolarHBondContact O-N 3.21Å; Q558-L561 PolarHBondContact O-N 3.18Å; L561-A565 PolarHBondContact O-N 3.11Å
562	Q	75.7	Confident	75.9	Confident	122 Å²	122	74.4 Å²	74.4	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-70.2	-32.1	178.7	-69.6	176.2	14.1	0	0	113.8	Q558 A559 K566	Q558-Q562 WeakPolarHBondContact O-CG 3.32Å; Q558-Q562 PolarHBondContact O-N 2.96Å; Q558-Q562 VanDerWaalsContact O-N 3.09Å; A559-Q562 PolarHBondContact O-N 3.17Å; Q562-K566 WeakPolarHBondContact O-CG 3.32Å; Q562-K566 PolarHBondContact O-N 2.85Å
563	S	70.7	Confident	74.6	Confident	68 Å²	68	76.1 Å²	76.1	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-75.5	-34.7	176.9	62.1	0	0	0	0	112.7	A559 G560 K566 S567	A559-S563 PolarHBondContact O-N 3.3Å; A559-S563 PolarHBondContact O-OG 3.08Å; G560-S563 PolarHBondContact O-OG 3.17Å; G560-S563 VanDerWaalsContact O-OG 3.13Å; S563-K566 PolarHBondContact O-N 3.34Å; S563-S567 PolarHBondContact O-N 2.91Å; S563-S567 PolarHBondContact O-OG 3.15Å
564	G	58.2	Low	73.1	Confident	28 Å²	28	81.1 Å²	81.1	29%	0.289	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-43.7	171.2	0	0	0	0	0	112.4	G560 K566 S567	G560-G564 PolarHBondContact O-N 3.01Å; G564-K566 PolarHBondContact O-N 2.87Å; G564-S567 PolarHBondContact O-N 3.42Å
565	A	52.5	Low	71.6	Confident	75 Å²	75	81.3 Å²	81.3	62%	0.62	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.7	179.1	0	0	0	0	0	115.2	L561	L561-A565 PolarHBondContact O-N 3.11Å
566	K	46.1	Very low	69.9	Low	173 Å²	173	81.8 Å²	81.8	75%	0.752	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	2	176.3	-70.8	-179.7	178.2	-179.4	0	113.7	Q562 S563 G564	Q562-K566 WeakPolarHBondContact O-CG 3.32Å; Q562-K566 PolarHBondContact O-N 2.85Å; S563-K566 PolarHBondContact O-N 3.34Å; G564-K566 PolarHBondContact O-N 2.87Å
567	S	44.7	Very low	67.9	Low	104 Å²	104	81.5 Å²	81.5	73%	0.727	47%	0.47	S	S	*	.			trans	-112.8	12.2	-179.1	-50.6	0	0	0	0	112.8	S563 G564	S563-S567 PolarHBondContact O-N 2.91Å; S563-S567 PolarHBondContact O-OG 3.15Å; G564-S567 PolarHBondContact O-N 3.42Å
568	Q	34.1	Very low	65.8	Low	177 Å²	177	87.9 Å²	87.9	83%	0.827	51%	0.506	S	S	*	.			trans	-118.8	0	166.5	-67.7	-173.1	-3	0	0	108.3

Retrieved 568 of 568 residues in 1772.9 ms (Link to these results)

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