A0A087X3T5_POEFO Loading...

Protein FAM111B-like

AlphaFold DB , UniProt , Accession A0A087X3T5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	28.4	Very low	249 Å²	249	173.4 Å²	173.4	100%	1.227	91%	0.905	S	S	*	*				0	116.6	0	-78.5	177.6	166.4	0	0	108
2	A	25.4	Very low	28.3	Very low	96 Å²	96	174.4 Å²	174.4	79%	0.793	91%	0.906	S	S	*	*	P	Polyproline II helix	trans	-81.8	147.6	177.8	0	0	0	0	0	110.8
3	P	30.4	Very low	28.5	Very low	131 Å²	131	175.7 Å²	175.7	85%	0.851	90%	0.9	S	S	*	*	P	Polyproline II helix	trans	-83.2	136	173.6	31.4	-28.2	0	0	0	111.3
4	K	28.3	Very low	28.6	Very low	205 Å²	205	171.6 Å²	171.6	89%	0.891	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-69.3	142.4	179.4	-77.5	174	172.4	174.6	0	111.8
5	K	28.3	Very low	28.9	Very low	213 Å²	213	169.3 Å²	169.3	93%	0.926	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.3	167.9	-70.8	176.8	174.5	179.5	0	111.4
6	Q	28.4	Very low	29	Very low	197 Å²	197	172.2 Å²	172.2	92%	0.921	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-93.8	140.6	163.3	-99.5	176.6	-18.8	0	0	110.8
7	K	25.9	Very low	29.1	Very low	206 Å²	206	167.9 Å²	167.9	90%	0.896	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-69.4	136.9	-175.8	-75.8	173	170.1	179.2	0	112
8	T	26.5	Very low	29.3	Very low	141 Å²	141	167.9 Å²	167.9	87%	0.865	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-69.1	134.3	157.5	38.8	0	0	0	0	110.7
9	S	27.1	Very low	29.6	Very low	119 Å²	119	169.4 Å²	169.4	83%	0.832	85%	0.849	S	S	*	*			trans	-128.1	135.9	156.4	63.6	0	0	0	0	109.6
10	E	29	Very low	29.7	Very low	181 Å²	181	169.8 Å²	169.8	85%	0.846	85%	0.849	S	S	*	*			trans	-78.3	147.9	-163.9	-61.6	150.3	140.1	0	0	113.3
11	N	26.7	Very low	29.7	Very low	169 Å²	169	171.5 Å²	171.5	90%	0.904	85%	0.851	S	S	*	*			trans	-166.4	78	133.7	-104.7	-21.2	0	0	0	109.1
12	M	27.3	Very low	29.3	Very low	186 Å²	186	167.8 Å²	167.8	92%	0.916	83%	0.83	S	S	*	*			trans	-98.3	105.2	169.2	-143.6	169	78.2	0	0	106.6	D14	M12-D14 PolarHBondContact O-N 2.85Å
13	K	30.9	Very low	29.4	Very low	191 Å²	191	170.7 Å²	170.7	83%	0.83	83%	0.832	S	S	*	*			trans	-66.1	122.4	171.7	-76.6	-177.7	177.2	178.5	0	108.5	I15	K13-I15 WeakPolarHBondContact O-CG1 3.49Å
14	D	29.5	Very low	29.2	Very low	118 Å²	118	171.6 Å²	171.6	63%	0.631	83%	0.83	S	S	*	*			trans	-65.7	126.5	-179.6	-167.2	-6.2	0	0	0	110.9	M12 R16	M12-D14 PolarHBondContact O-N 2.85Å; D14-R16 WeakPolarHBondContact OD1-CG 3.3Å; D14-R16 PolarHBondContact OD1-N 3.01Å
15	I	33.3	Very low	29.2	Very low	138 Å²	138	168.1 Å²	168.1	71%	0.708	83%	0.826	S	S	*	*			trans	-99.2	6	-172.2	-51.6	170.6	0	0	0	110.7	K13 S17	K13-I15 WeakPolarHBondContact O-CG1 3.49Å; I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 3.44Å
16	R	30.4	Very low	29.1	Very low	215 Å²	215	162.7 Å²	162.7	81%	0.811	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-76	-7.9	-177	-69.5	177.5	-176	172.1	3.8	115	D14	D14-R16 WeakPolarHBondContact OD1-CG 3.3Å; D14-R16 PolarHBondContact OD1-N 3.01Å
17	S	30.4	Very low	28.9	Very low	100 Å²	100	156.3 Å²	156.3	70%	0.699	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-89.8	3.9	-175	58.8	0	0	0	0	116.1	I15	I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 PolarHBondContact O-N 3.44Å
18	F	32.9	Very low	28.9	Very low	167 Å²	167	152.5 Å²	152.5	73%	0.732	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-97.6	-0.5	-174.5	-91.9	-81.2	0	0	0	116.3
19	F	34.3	Very low	29.6	Very low	196 Å²	196	151 Å²	151	86%	0.86	80%	0.8	S	S	*	*	S	Bend	trans	-136.4	37	-174	-68.4	-73.3	0	0	0	115.3
20	E	32.4	Very low	29.4	Very low	178 Å²	178	155.9 Å²	155.9	83%	0.832	81%	0.807	S	S	*	*			trans	-122.9	95.4	164.5	-75.4	-176	176.3	0	0	110.1
21	K	28.7	Very low	29.3	Very low	205 Å²	205	156.4 Å²	156.4	89%	0.891	81%	0.806	S	S	*	*			trans	174.6	106.3	141.3	-97.2	167.6	-173.4	-174.9	0	110.1
22	E	28.6	Very low	29.4	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.804	80%	0.8	S	S	*	*	S	Bend	trans	156.9	86.4	135.9	-89.9	-174	175.3	0	0	109.7
23	N	27.3	Very low	29.6	Very low	156 Å²	156	151 Å²	151	83%	0.834	79%	0.792	S	S	*	*				159.5	126.7	102.4	-82.8	-36.2	0	0	0	109.8
24	D	26.7	Very low	29.3	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	79%	0.793	S	S	*	*			trans	-116.2	139.1	-173.4	-134.5	-10.3	0	0	0	108.3
25	V	29.3	Very low	29.1	Very low	131 Å²	131	157.2 Å²	157.2	79%	0.794	81%	0.807	S	S	*	*			trans	75.6	135.2	153.5	-167.8	0	0	0	0	117.3
26	A	25.1	Very low	28.6	Very low	99 Å²	99	157.2 Å²	157.2	82%	0.818	81%	0.809	S	S	*	*			cis	-147.2	165.1	17.5	0	0	0	0	0	109.4
27	G	24.4	Very low	28.4	Very low	64 Å²	64	155.2 Å²	155.2	66%	0.66	81%	0.813	S	S	*	*			cis	164.1	116.6	7.8	0	0	0	0	0	109.9
28	S	27.1	Very low	28.2	Very low	126 Å²	126	158.1 Å²	158.1	88%	0.881	82%	0.816	S	S	*	*			trans	81.9	150.6	137.3	-49.4	0	0	0	0	124
29	P	39.6	Very low	27.8	Very low	109 Å²	109	156.5 Å²	156.5	71%	0.708	82%	0.82	S	S	*	*			trans	-125.3	169.5	-153.7	38.5	-19.9	0	0	0	114.8
30	F	24.4	Very low	27.3	Very low	222 Å²	222	151.2 Å²	151.2	97%	0.974	82%	0.82	S	S	*	*			trans	-145	142.2	160.8	-98.9	-79.9	0	0	0	114.7
31	K	26.2	Very low	26.9	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	82%	0.822	S	S	*	*			trans	-86.1	149.6	-178.6	-73.3	174	172.6	175	0	112.8
32	T	28.6	Very low	26.6	Very low	126 Å²	126	147 Å²	147	77%	0.773	82%	0.823	S	S	*	*			trans	-12.5	159.5	152	48.9	0	0	0	0	119.2
33	P	31.6	Very low	26.4	Very low	114 Å²	114	143.3 Å²	143.3	74%	0.74	82%	0.816	S	S	*	*				-162	170.5	51.5	42	-18.1	0	0	0	122.1
34	R	24	Very low	26.3	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	82%	0.816	S	S	*	*			trans	38.4	136.1	143	-75.2	-179.7	171.4	170.7	-2.3	122.6
35	K	25.2	Very low	26.1	Very low	212 Å²	212	143.6 Å²	143.6	92%	0.922	82%	0.817	S	S	*	*				-155.4	134.8	125.7	-110.8	175.2	-174.5	179.5	0	112.9
36	N	23.8	Very low	26.1	Very low	139 Å²	139	142.8 Å²	142.8	74%	0.743	82%	0.815	S	S	*	*			trans	-78.7	158.6	174.2	-69.8	-29	0	0	0	111.7
37	L	25.3	Very low	26	Very low	173 Å²	173	144.1 Å²	144.1	91%	0.906	81%	0.813	S	S	*	*				-155.4	163.9	123.5	-138.1	71.1	0	0	0	112.5
38	Q	27.1	Very low	26	Very low	161 Å²	161	150 Å²	150	75%	0.752	82%	0.823	S	S	*	*			trans	-104.9	161.6	-144	-96.1	167.2	-26.3	0	0	114.9
39	T	24.8	Very low	25.9	Very low	133 Å²	133	150.4 Å²	150.4	82%	0.816	82%	0.82	S	S	*	*			trans	73.4	119.1	135.1	53.2	0	0	0	0	122.6
40	G	23	Very low	25.9	Very low	84 Å²	84	150.5 Å²	150.5	87%	0.866	82%	0.821	S	S	*	*				119.1	125	94.8	0	0	0	0	0	117.7
41	G	24.1	Very low	25.7	Very low	85 Å²	85	148.8 Å²	148.8	88%	0.876	82%	0.818	S	S	*	*			trans	140.5	105.4	153.8	0	0	0	0	0	116.8
42	K	23.3	Very low	25.9	Very low	210 Å²	210	149.4 Å²	149.4	91%	0.913	82%	0.815	S	S	*	*			trans	-79.2	151.2	167.7	-69.2	175.9	174.3	178.3	0	110.5
43	S	22.9	Very low	25.7	Very low	95 Å²	95	149.9 Å²	149.9	66%	0.664	82%	0.818	S	S	*	*				157.8	143.8	108.6	-149.6	0	0	0	0	113.8
44	Q	26.1	Very low	25.4	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	81%	0.813	S	S	*	*			trans	78	109.8	150.2	-73.6	159.6	25.9	0	0	121.8
45	T	23.4	Very low	26	Very low	134 Å²	134	147 Å²	147	82%	0.822	81%	0.806	S	S	*	*			trans	-73.5	151	147.7	42.6	0	0	0	0	110.9
46	P	27.4	Very low	26.2	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	80%	0.804	S	S	*	*				-148.6	145.2	93.4	34.1	-14.2	0	0	0	117.1
47	T	23.3	Very low	26.8	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	81%	0.807	S	S	*	*			trans	29.9	119.5	138.3	-19.7	0	0	0	0	121.6
48	Q	24.4	Very low	26.9	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	80%	0.801	S	S	*	*				167.7	120	117.4	-90.2	179.2	11.1	0	0	111.3
49	T	26.4	Very low	27.5	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	80%	0.804	S	S	*	*			trans	-72.5	174.7	158.4	4.9	0	0	0	0	109.5
50	P	38.3	Very low	27.9	Very low	111 Å²	111	140.6 Å²	140.6	72%	0.721	80%	0.804	S	S	*	*			cis	-137.6	177.8	-2.8	33.7	-11.9	0	0	0	113.9
51	M	20.7	Very low	28.6	Very low	187 Å²	187	141.8 Å²	141.8	92%	0.921	80%	0.799	S	S	*	*				171.7	150.2	128.7	-91.4	-172.1	77.7	0	0	112.8
52	R	30.6	Very low	29.4	Very low	205 Å²	205	143.3 Å²	143.3	77%	0.774	79%	0.791	S	S	*	*			trans	-117.4	137.3	-165	168.4	-166.2	-171.4	-173	6.2	109.1
53	V	23.9	Very low	30.6	Very low	136 Å²	136	138.8 Å²	138.8	82%	0.824	78%	0.781	S	S	*	*			trans	-153.9	103.9	151.1	-165	0	0	0	0	107.1
54	K	25.6	Very low	32.2	Very low	148 Å²	148	139.5 Å²	139.5	64%	0.643	78%	0.781	S	S	*	*				48.4	112.6	94.9	-89.6	-170.4	173.6	-175.1	0	112.9
55	N	37.2	Very low	34.1	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	75%	0.748	S	S	*	*				106.8	130.3	61.6	-97.1	24.9	0	0	0	108.8
56	E	29.4	Very low	36.6	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.864	74%	0.739	S	S	*	*			trans	-173.8	95.7	142.6	-102.9	169.3	-153.5	0	0	107.1
57	N	36	Very low	38.9	Very low	154 Å²	154	126 Å²	126	82%	0.824	71%	0.709	S	S	*	*				87.5	116.7	85.2	-86.8	-0.3	0	0	0	113.8
58	G	26.3	Very low	42	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	69%	0.694	S	S	*	*			trans	-167.1	68.9	170	0	0	0	0	0	110.6	D60	G58-D60 PolarHBondContact O-N 3.12Å
59	S	41.2	Very low	45.1	Very low	118 Å²	118	116.9 Å²	116.9	83%	0.825	65%	0.652	S	S	*	*			trans	24.9	90.9	147.2	170.4	0	0	0	0	118
60	D	32.5	Very low	48.1	Very low	151 Å²	151	112.1 Å²	112.1	81%	0.807	62%	0.621	S	S	*	*			trans	-135.3	120.8	135.8	-93.4	-29	0	0	0	106.2	G58 V62	G58-D60 PolarHBondContact O-N 3.12Å; D60-V62 VanDerWaalsContact C-N 3.25Å; D60-V62 PolarHBondContact O-N 2.96Å
61	S	37.3	Very low	50.4	Low	110 Å²	110	106.8 Å²	106.8	77%	0.769	59%	0.587	S	S	*	*			trans	-66.5	90.7	173	57.9	0	0	0	0	108.1	V63	S61-V63 PolarHBondContact O-N 2.77Å
62	V	42.3	Very low	53.6	Low	116 Å²	116	99.5 Å²	99.5	70%	0.703	55%	0.55	S	S	*	*			trans	-58	106.5	163.1	-176.6	0	0	0	0	105.2	D60 T64	D60-V62 VanDerWaalsContact C-N 3.25Å; D60-V62 PolarHBondContact O-N 2.96Å; V62-T64 HydrophobicContact CG1-CG2 4.26Å; V62-T64 PolarHBondContact O-N 3.4Å
63	V	47.9	Very low	56	Low	115 Å²	115	91 Å²	91	70%	0.697	52%	0.519	S	S	*	.			trans	-65.4	90.4	172.5	179.7	0	0	0	0	106.1	S61 H65	S61-V63 PolarHBondContact O-N 2.77Å; V63-H65 PolarHBondContact O-N 3Å; V63-H65 VanDerWaalsContact O-N 3.11Å
64	T	55.4	Low	58.3	Low	111 Å²	111	87.3 Å²	87.3	68%	0.681	50%	0.497	S	S	*	.			trans	-70.8	105.1	175.7	50.6	0	0	0	0	107	V62 S66	V62-T64 HydrophobicContact CG1-CG2 4.26Å; V62-T64 PolarHBondContact O-N 3.4Å; T64-S66 PolarHBondContact O-N 3.36Å
65	H	67.8	Low	60.3	Low	28 Å²	28	83.2 Å²	83.2	13%	0.13	49%	0.485	C	S	.	.			trans	-65.1	98.1	171.2	173.3	-81.2	0	0	0	108.4	V63 H67 C85 D86 Q87 P88	V63-H65 PolarHBondContact O-N 3Å; V63-H65 VanDerWaalsContact O-N 3.11Å; H65-H67 AromaticContact CE1-CE1 3.07Å; H65-H67 PolarHBondContact CE1-CE1 3.32Å; H65-H67 AromaticContact CE1-ND1 3.26Å; H65-H67 PolarHBondContact CE1-ND1 3.08Å; H65-H67 VanDerWaalsContact CE1-ND1 3.26Å; H65-H67 AromaticContact ND1-ND1 3.87Å; H65-H67 AromaticContact NE2-CE1 3.22Å; H65-H67 PolarHBondContact NE2-CE1 3.32Å; H65-H67 AromaticContact NE2-ND1 3.38Å; H65-H67 PolarHBondContact NE2-ND1 3.13Å; H65-C85 PolarHBondContact ND1-O 2.96Å; H65-C85 VanDerWaalsContact O-O 3.05Å; H65-D86 CarbonylContact O-C 3.46Å; H65-D86 WeakPolarHBondContact O-CA 3.4Å; H65-D86 VanDerWaalsContact O-O 3.08Å; H65-Q87 PolarHBondContact CE1-O 3.38Å; H65-Q87 PolarHBondContact ND1-N 3.47Å; H65-Q87 PolarHBondContact ND1-O 3.33Å; H65-P88 HydrophobicContact CB-CG 4.11Å
66	S	74	Confident	61.9	Low	92 Å²	92	82.9 Å²	82.9	64%	0.643	49%	0.488	S	S	*	.			trans	-132.9	114	176.6	-174.2	0	0	0	0	108.4	T64 C85	T64-S66 PolarHBondContact O-N 3.36Å; S66-C85 WeakPolarHBondContact CA-O 3.47Å
67	H	77.5	Confident	64	Low	22 Å²	22	75.7 Å²	75.7	10%	0.102	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.6	172.9	68.2	-87.9	0	0	0	109.7	H65 C85 C132 S133	H65-H67 AromaticContact CE1-CE1 3.07Å; H65-H67 PolarHBondContact CE1-CE1 3.32Å; H65-H67 AromaticContact CE1-ND1 3.26Å; H65-H67 PolarHBondContact CE1-ND1 3.08Å; H65-H67 VanDerWaalsContact CE1-ND1 3.26Å; H65-H67 AromaticContact ND1-ND1 3.87Å; H65-H67 AromaticContact NE2-CE1 3.22Å; H65-H67 PolarHBondContact NE2-CE1 3.32Å; H65-H67 AromaticContact NE2-ND1 3.38Å; H65-H67 PolarHBondContact NE2-ND1 3.13Å; H67-C85 WeakPolarHBondContact CE1-CB 3.23Å; H67-C85 PolarHBondContact N-O 3.27Å; H67-C85 WeakPolarHBondContact NE2-CB 3.31Å; H67-C85 WeakPolarHBondContact O-CB 3.46Å; H67-C85 PolarHBondContact O-N 2.93Å; H67-C132 PolarHBondContact CD2-O 3.26Å; H67-C132 PolarHBondContact CE1-SG 3.19Å; H67-C132 WeakPolarHBondContact NE2-CB 3.37Å; H67-C132 PolarHBondContact NE2-O 3.3Å; H67-S133 PolarHBondContact CE1-N 3.44Å; H67-S133 VanDerWaalsContact CE1-N 3.33Å
68	R	86.7	Confident	65.6	Low	123 Å²	123	80.2 Å²	80.2	46%	0.464	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.4	-174.9	176.7	177.9	58.9	-176.1	-4.3	110.7	T82 I83 D84 D137 G138	R68-T82 VanDerWaalsContact CD-CG2 3.46Å; R68-T82 HydrophobicContact CG-CG2 3.59Å; R68-I83 VanDerWaalsContact CA-O 3.31Å; R68-I83 WeakPolarHBondContact CA-O 3.22Å; R68-D84 VanDerWaalsContact CD-OD1 3.22Å; R68-D84 WeakPolarHBondContact CD-OD1 2.73Å; R68-D84 VanDerWaalsContact CG-OD1 3.3Å; R68-D84 WeakPolarHBondContact CG-OD1 3.49Å; R68-D137 WeakPolarHBondContact CB-OD1 3.42Å; R68-D137 PolarHBondContact N-OD1 3.47Å; R68-D137 CarbonylContact O-C 3.5Å; R68-D137 WeakPolarHBondContact O-CA 3.44Å; R68-G138 PolarHBondContact O-N 3.01Å
69	F	89.9	Confident	68.2	Low	0 Å²	0	83.3 Å²	83.3	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.8	172.7	64.7	-92.8	0	0	0	111.8	V71 I83 C85 V91 A94 I95 C132 I135 E139 V141	F69-V71 HydrophobicContact CD2-CG2 3.82Å; F69-V71 HydrophobicContact CE2-CG2 3.51Å; F69-I83 HydrophobicContact CD1-CB 4.4Å; F69-I83 HydrophobicContact CD2-CB 4.2Å; F69-I83 HydrophobicContact CD2-CG1 4.29Å; F69-I83 HydrophobicContact CE1-CB 4.13Å; F69-I83 HydrophobicContact CE1-CG2 3.9Å; F69-I83 HydrophobicContact CE2-CB 3.89Å; F69-I83 HydrophobicContact CE2-CG1 3.85Å; F69-I83 HydrophobicContact CE2-CG2 4.21Å; F69-I83 HydrophobicContact CG-CB 4.44Å; F69-I83 HydrophobicContact CZ-CB 3.85Å; F69-I83 HydrophobicContact CZ-CG1 4.18Å; F69-I83 HydrophobicContact CZ-CG2 3.67Å; F69-I83 PolarHBondContact N-O 2.85Å; F69-I83 PolarHBondContact O-N 3.22Å; F69-C85 WeakPolarHBondContact CE1-SG 3.26Å; F69-V91 HydrophobicContact CE2-CG1 4.34Å; F69-V91 HydrophobicContact CZ-CG1 4.25Å; F69-A94 HydrophobicContact CE1-CB 4.26Å; F69-A94 HydrophobicContact CZ-CB 4.07Å; F69-I95 HydrophobicContact CE2-CD1 4.16Å; F69-I95 HydrophobicContact CE2-CG1 3.84Å; F69-I95 HydrophobicContact CZ-CG1 3.99Å; F69-C132 HydrophobicContact CE1-CB 4.25Å; F69-I135 HydrophobicContact CB-CG2 3.8Å; F69-I135 HydrophobicContact CG-CG2 4.3Å; F69-E139 WeakPolarHBondContact CB-O 3.49Å; F69-V141 HydrophobicContact CD2-CB 4.5Å; F69-V141 HydrophobicContact CD2-CG2 4.06Å; F69-V141 HydrophobicContact CE2-CG2 4.5Å
70	I	89.1	Confident	70.3	Confident	34 Å²	34	81.8 Å²	81.8	17%	0.174	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.8	-175.3	-58.9	173.2	0	0	0	109.3	E80 Y81 E139 T140 V141	I70-E80 HydrophobicContact CG2-CB 3.81Å; I70-E80 HydrophobicContact CG2-CG 4.04Å; I70-Y81 CarbonylContact C-O 3.38Å; I70-Y81 WeakPolarHBondContact CA-O 3.38Å; I70-E139 PolarHBondContact N-O 3.09Å; I70-T140 HydrophobicContact CG2-CG2 4.4Å; I70-T140 CarbonylContact O-C 3.22Å; I70-T140 WeakPolarHBondContact O-CA 3.48Å; I70-V141 PolarHBondContact O-N 2.7Å
71	V	88.3	Confident	72.8	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.5	179.5	178.9	0	0	0	0	111.7	F69 Y81 I83 I95 V141 L143	F69-V71 HydrophobicContact CD2-CG2 3.82Å; F69-V71 HydrophobicContact CE2-CG2 3.51Å; V71-Y81 PolarHBondContact N-O 3.48Å; V71-Y81 PolarHBondContact O-N 2.75Å; V71-I83 HydrophobicContact CB-CG1 4.35Å; V71-I83 HydrophobicContact CG2-CD1 4.22Å; V71-I83 HydrophobicContact CG2-CG1 3.46Å; V71-I83 VanDerWaalsContact CG2-CG1 3.46Å; V71-I95 HydrophobicContact CG1-CD1 4.31Å; V71-I95 HydrophobicContact CG1-CG2 4.34Å; V71-I95 HydrophobicContact CG2-CD1 3.83Å; V71-I95 HydrophobicContact CG2-CG1 3.79Å; V71-V141 CarbonylContact C-O 3.53Å; V71-V141 WeakPolarHBondContact CA-O 3.44Å; V71-L143 HydrophobicContact CG1-CD1 4.18Å; V71-L143 HydrophobicContact CG1-CG 4.44Å
72	K	86.7	Confident	75.2	Confident	34 Å²	34	76.5 Å²	76.5	15%	0.148	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.1	165.2	-67.7	-171.9	173.5	-174.9	0	110.5	E80 T140 V141 I142 L143	K72-E80 HydrophobicContact CD-CG 4.21Å; K72-E80 WeakPolarHBondContact CE-OE1 3.4Å; K72-E80 HydrophobicContact CG-CG 3.94Å; K72-E80 IonicContact NZ-OE1 3.05Å; K72-E80 PolarHBondContact NZ-OE1 3.29Å; K72-T140 HydrophobicContact CG-CG2 4.48Å; K72-V141 PolarHBondContact N-O 3.36Å; K72-I142 HydrophobicContact CB-CG1 4.35Å; K72-I142 HydrophobicContact CB-CG2 4.4Å; K72-I142 WeakPolarHBondContact O-CA 3.37Å; K72-L143 PolarHBondContact O-N 3.06Å
73	F	81.1	Confident	77.3	Confident	25 Å²	25	71 Å²	71	11%	0.11	36%	0.36	C	S	.	.	S	Bend	trans	-88.8	-13.9	176.3	-65.2	-84.4	0	0	0	113.7	E77 Y81 L99 M105 L143	F73-E77 WeakPolarHBondContact CB-OE2 3.21Å; F73-E77 PolarHBondContact N-OE2 2.85Å; F73-Y81 HydrophobicContact CD2-CD2 4.08Å; F73-Y81 AromaticContact CD2-CE2 3.78Å; F73-Y81 HydrophobicContact CD2-CE2 3.78Å; F73-Y81 AromaticContact CE2-CD2 3.78Å; F73-Y81 HydrophobicContact CE2-CD2 3.78Å; F73-Y81 AromaticContact CE2-CE2 3.69Å; F73-Y81 HydrophobicContact CE2-CE2 3.69Å; F73-L99 HydrophobicContact CE2-CD1 3.92Å; F73-L99 HydrophobicContact CZ-CD1 3.64Å; F73-M105 HydrophobicContact CE1-CE 4.39Å; F73-M105 HydrophobicContact CE1-CG 3.61Å; F73-M105 HydrophobicContact CE1-SD 3.78Å; F73-M105 HydrophobicContact CZ-CG 4.28Å; F73-M105 HydrophobicContact CZ-SD 4.1Å; F73-L143 CarbonylContact C-O 3.47Å; F73-L143 HydrophobicContact CD1-CD1 3.79Å; F73-L143 HydrophobicContact CE1-CD1 3.71Å
74	T	71.6	Confident	79.1	Confident	59 Å²	59	69.7 Å²	69.7	36%	0.362	35%	0.35	S	S	.	.	S	Bend	trans	-151.7	157	166.2	63.8	0	0	0	0	110.3	T76 E77	T74-T76 PolarHBondContact O-N 2.83Å; T74-E77 PolarHBondContact O-N 3.05Å; T74-E77 WeakPolarHBondContact OG1-CB 3.4Å; T74-E77 PolarHBondContact OG1-N 3.08Å
75	P	69.2	Low	80.4	Confident	62 Å²	62	64.7 Å²	64.7	40%	0.403	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	176.4	-24.7	34.1	0	0	0	114.3	I142 Y144	P75-I142 HydrophobicContact CG-CG2 4.1Å; P75-Y144 HydrophobicContact CG-CE1 3.65Å; P75-Y144 VanDerWaalsContact CG-OH 3.27Å; P75-Y144 WeakPolarHBondContact CG-OH 3.27Å
76	T	70.2	Confident	81	Confident	128 Å²	128	68.4 Å²	68.4	79%	0.785	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.3	-175.7	53.5	0	0	0	0	113.3	T74	T74-T76 PolarHBondContact O-N 2.83Å
77	E	73	Confident	81.2	Confident	33 Å²	33	70.9 Å²	70.9	15%	0.154	34%	0.341	C	S	.	.			trans	-73	131.1	179.3	-165.1	164	-148.5	0	0	110.9	F73 T74 K79 K104	F73-E77 WeakPolarHBondContact CB-OE2 3.21Å; F73-E77 PolarHBondContact N-OE2 2.85Å; T74-E77 PolarHBondContact O-N 3.05Å; T74-E77 WeakPolarHBondContact OG1-CB 3.4Å; T74-E77 PolarHBondContact OG1-N 3.08Å; E77-K79 VanDerWaalsContact C-N 3.31Å; E77-K79 HydrophobicContact CG-CB 4.23Å; E77-K104 IonicContact OE1-NZ 2.7Å; E77-K104 PolarHBondContact OE1-NZ 3.02Å
78	R	69.6	Low	81.4	Confident	250 Å²	250	72.3 Å²	72.3	94%	0.943	35%	0.352	S	S	*	.	S	Bend	trans	-77	-18.3	177.3	-66.7	-174.2	-179	-178.4	0.1	113.2
79	K	80.3	Confident	81.3	Confident	138 Å²	138	67.8 Å²	67.8	60%	0.6	34%	0.34	S	S	*	.			trans	-89.1	131.2	-177.6	-65.2	-175.8	179	-178	0	109.9	E77 Y81	E77-K79 VanDerWaalsContact C-N 3.31Å; E77-K79 HydrophobicContact CG-CB 4.23Å; K79-Y81 HydrophobicContact CB-CE2 4.18Å
80	E	86.7	Confident	81.3	Confident	87 Å²	87	68.7 Å²	68.7	41%	0.407	35%	0.345	S	S	.	.			trans	-115.4	139.4	174.1	-75.5	179.9	-168.3	0	0	108.1	I70 K72	I70-E80 HydrophobicContact CG2-CB 3.81Å; I70-E80 HydrophobicContact CG2-CG 4.04Å; K72-E80 HydrophobicContact CD-CG 4.21Å; K72-E80 WeakPolarHBondContact CE-OE1 3.4Å; K72-E80 HydrophobicContact CG-CG 3.94Å; K72-E80 IonicContact NZ-OE1 3.05Å; K72-E80 PolarHBondContact NZ-OE1 3.29Å
81	Y	84.9	Confident	81.2	Confident	69 Å²	69	67.1 Å²	67.1	27%	0.271	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.4	-179.9	-61.6	-90.4	0	0	0	109.3	I70 V71 F73 K79 L99	I70-Y81 CarbonylContact C-O 3.38Å; I70-Y81 WeakPolarHBondContact CA-O 3.38Å; V71-Y81 PolarHBondContact N-O 3.48Å; V71-Y81 PolarHBondContact O-N 2.75Å; F73-Y81 HydrophobicContact CD2-CD2 4.08Å; F73-Y81 AromaticContact CD2-CE2 3.78Å; F73-Y81 HydrophobicContact CD2-CE2 3.78Å; F73-Y81 AromaticContact CE2-CD2 3.78Å; F73-Y81 HydrophobicContact CE2-CD2 3.78Å; F73-Y81 AromaticContact CE2-CE2 3.69Å; F73-Y81 HydrophobicContact CE2-CE2 3.69Å; K79-Y81 HydrophobicContact CB-CE2 4.18Å; Y81-L99 HydrophobicContact CD1-CD1 4.41Å; Y81-L99 HydrophobicContact CD1-CD2 3.79Å; Y81-L99 HydrophobicContact CG-CD1 4.12Å; Y81-L99 HydrophobicContact CG-CD2 4.09Å
82	T	87.5	Confident	81.1	Confident	81 Å²	81	67.2 Å²	67.2	50%	0.497	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.1	175.9	-59.1	0	0	0	0	109	R68	R68-T82 VanDerWaalsContact CD-CG2 3.46Å; R68-T82 HydrophobicContact CG-CG2 3.59Å
83	I	86.4	Confident	81	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.7	177.3	-50.8	-61.1	0	0	0	108	R68 F69 V71 A94 I95 L99	R68-I83 VanDerWaalsContact CA-O 3.31Å; R68-I83 WeakPolarHBondContact CA-O 3.22Å; F69-I83 HydrophobicContact CD1-CB 4.4Å; F69-I83 HydrophobicContact CD2-CB 4.2Å; F69-I83 HydrophobicContact CD2-CG1 4.29Å; F69-I83 HydrophobicContact CE1-CB 4.13Å; F69-I83 HydrophobicContact CE1-CG2 3.9Å; F69-I83 HydrophobicContact CE2-CB 3.89Å; F69-I83 HydrophobicContact CE2-CG1 3.85Å; F69-I83 HydrophobicContact CE2-CG2 4.21Å; F69-I83 HydrophobicContact CG-CB 4.44Å; F69-I83 HydrophobicContact CZ-CB 3.85Å; F69-I83 HydrophobicContact CZ-CG1 4.18Å; F69-I83 HydrophobicContact CZ-CG2 3.67Å; F69-I83 PolarHBondContact N-O 2.85Å; F69-I83 PolarHBondContact O-N 3.22Å; V71-I83 HydrophobicContact CB-CG1 4.35Å; V71-I83 HydrophobicContact CG2-CD1 4.22Å; V71-I83 HydrophobicContact CG2-CG1 3.46Å; V71-I83 VanDerWaalsContact CG2-CG1 3.46Å; I83-A94 HydrophobicContact CG2-CB 4.22Å; I83-I95 HydrophobicContact CG1-CG1 4.47Å; I83-L99 HydrophobicContact CD1-CD1 3.91Å; I83-L99 HydrophobicContact CD1-CD2 3.76Å; I83-L99 HydrophobicContact CD1-CG 3.59Å
84	D	84.6	Confident	81.3	Confident	88 Å²	88	68.1 Å²	68.1	47%	0.471	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.2	172.2	-60.5	-61.7	0	0	0	109	R68	R68-D84 VanDerWaalsContact CD-OD1 3.22Å; R68-D84 WeakPolarHBondContact CD-OD1 2.73Å; R68-D84 VanDerWaalsContact CG-OD1 3.3Å; R68-D84 WeakPolarHBondContact CG-OD1 3.49Å
85	C	83.1	Confident	81.9	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.034	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	101.9	-176.7	-64.7	0	0	0	0	111	H65 S66 H67 F69 A94	H65-C85 PolarHBondContact ND1-O 2.96Å; H65-C85 VanDerWaalsContact O-O 3.05Å; S66-C85 WeakPolarHBondContact CA-O 3.47Å; H67-C85 WeakPolarHBondContact CE1-CB 3.23Å; H67-C85 PolarHBondContact N-O 3.27Å; H67-C85 WeakPolarHBondContact NE2-CB 3.31Å; H67-C85 WeakPolarHBondContact O-CB 3.46Å; H67-C85 PolarHBondContact O-N 2.93Å; F69-C85 WeakPolarHBondContact CE1-SG 3.26Å; C85-A94 VanDerWaalsContact SG-CB 3.57Å
86	D	81.1	Confident	82.5	Confident	106 Å²	106	65.6 Å²	65.6	57%	0.567	32%	0.322	S	S	*	.			trans	-93.1	-4.4	-178.3	-60.1	-31.8	0	0	0	113.4	H65	H65-D86 CarbonylContact O-C 3.46Å; H65-D86 WeakPolarHBondContact O-CA 3.4Å; H65-D86 VanDerWaalsContact O-O 3.08Å
87	Q	78.5	Confident	83	Confident	144 Å²	144	64.4 Å²	64.4	67%	0.673	32%	0.319	S	S	*	.	S	Bend	trans	-141.5	146	-180	-65.3	-61.7	-45.8	0	0	111	H65 S89	H65-Q87 PolarHBondContact CE1-O 3.38Å; H65-Q87 PolarHBondContact ND1-N 3.47Å; H65-Q87 PolarHBondContact ND1-O 3.33Å; Q87-S89 PolarHBondContact O-N 3.03Å
88	P	80.9	Confident	83.2	Confident	52 Å²	52	65.7 Å²	65.7	34%	0.338	33%	0.331	S	S	.	.			trans	-59.2	119.8	175.1	-21.7	32.5	0	0	0	111.6	H65 I162	H65-P88 HydrophobicContact CB-CG 4.11Å; P88-I162 HydrophobicContact CB-CB 3.87Å; P88-I162 HydrophobicContact CB-CG2 3.78Å; P88-I162 WeakPolarHBondContact CB-O 3.47Å
89	S	85.6	Confident	83.3	Confident	29 Å²	29	55.7 Å²	55.7	20%	0.203	30%	0.297	C	S	.	.			trans	-148.3	172.2	-179	61.5	0	0	0	0	110.7	Q87 C132 I162	Q87-S89 PolarHBondContact O-N 3.03Å; S89-C132 PolarHBondContact N-SG 2.97Å; S89-C132 VanDerWaalsContact N-SG 3.4Å; S89-C132 PolarHBondContact O-N 3.36Å; S89-C132 PolarHBondContact O-SG 3.4Å; S89-C132 PolarHBondContact OG-SG 2.88Å; S89-C132 VanDerWaalsContact OG-SG 3.33Å; S89-I162 WeakPolarHBondContact O-CD1 3.32Å
90	T	88.8	Confident	82.5	Confident	19 Å²	19	50.8 Å²	50.8	12%	0.117	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-76.8	157	169.1	70.5	0	0	0	0	109.2	L92 D93 A94 H129 F130 I162	T90-L92 PolarHBondContact O-N 2.96Å; T90-D93 PolarHBondContact O-N 3.03Å; T90-D93 VanDerWaalsContact OG1-CB 3.32Å; T90-D93 WeakPolarHBondContact OG1-CB 3.5Å; T90-D93 PolarHBondContact OG1-N 2.97Å; T90-D93 PolarHBondContact OG1-OD2 3.42Å; T90-A94 WeakPolarHBondContact O-CB 3.37Å; T90-A94 PolarHBondContact O-N 3.26Å; T90-H129 HydrophobicContact CG2-CB 4.31Å; T90-F130 CarbonylContact C-O 3.49Å; T90-F130 VanDerWaalsContact CA-O 3.3Å; T90-F130 WeakPolarHBondContact CA-O 3.33Å; T90-I162 HydrophobicContact CG2-CD1 3.74Å; T90-I162 VanDerWaalsContact N-CD1 3.29Å
91	V	86.8	Confident	80.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-43.7	174.6	176.1	0	0	0	0	110.5	F69 A94 I95 I115 F130 C132 I135	F69-V91 HydrophobicContact CE2-CG1 4.34Å; F69-V91 HydrophobicContact CZ-CG1 4.25Å; V91-A94 PolarHBondContact O-N 3.36Å; V91-I95 HydrophobicContact CG1-CD1 3.93Å; V91-I95 WeakPolarHBondContact O-CD1 3.47Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.32Å; V91-I95 VanDerWaalsContact O-N 3.13Å; V91-I115 HydrophobicContact CB-CD1 4.45Å; V91-I115 HydrophobicContact CG1-CD1 4.19Å; V91-I115 HydrophobicContact CG1-CG2 4.22Å; V91-F130 HydrophobicContact CG2-CB 4.15Å; V91-F130 HydrophobicContact CG2-CD1 4.08Å; V91-F130 WeakPolarHBondContact CG2-O 3.38Å; V91-F130 PolarHBondContact N-O 3.31Å; V91-C132 HydrophobicContact CG2-CB 4.31Å; V91-I135 HydrophobicContact CB-CD1 4.3Å; V91-I135 HydrophobicContact CG1-CD1 3.9Å; V91-I135 HydrophobicContact CG2-CD1 3.34Å; V91-I135 HydrophobicContact CG2-CG1 3.98Å
92	L	86.2	Confident	79.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-41.1	-179.4	-173	60.7	0	0	0	112.3	T90 I95 R96 M105 D110 I113 I115 T128	T90-L92 PolarHBondContact O-N 2.96Å; L92-I95 PolarHBondContact O-N 3.03Å; L92-R96 WeakPolarHBondContact O-CG 3.48Å; L92-R96 PolarHBondContact O-N 3.22Å; L92-R96 VanDerWaalsContact O-N 3.11Å; L92-M105 HydrophobicContact CD1-CE 3.89Å; L92-D110 HydrophobicContact CD2-CB 4.06Å; L92-I113 HydrophobicContact CD1-CD1 3.95Å; L92-I113 HydrophobicContact CD2-CD1 4.24Å; L92-I115 HydrophobicContact CB-CD1 4.39Å; L92-T128 WeakPolarHBondContact CB-O 3.37Å; L92-T128 HydrophobicContact CD2-CG2 4.14Å
93	D	85.8	Confident	77.7	Confident	73 Å²	73	55.7 Å²	55.7	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-43.4	177.2	-66.7	-36	0	0	0	111.6	T90 I95 R96 S97	T90-D93 PolarHBondContact O-N 3.03Å; T90-D93 VanDerWaalsContact OG1-CB 3.32Å; T90-D93 WeakPolarHBondContact OG1-CB 3.5Å; T90-D93 PolarHBondContact OG1-N 2.97Å; T90-D93 PolarHBondContact OG1-OD2 3.42Å; D93-I95 VanDerWaalsContact C-N 3.3Å; D93-I95 PolarHBondContact O-N 3.47Å; D93-R96 PolarHBondContact O-N 3.25Å; D93-S97 WeakPolarHBondContact O-CB 3.25Å; D93-S97 PolarHBondContact O-N 3.29Å; D93-S97 PolarHBondContact O-OG 3.24Å
94	A	85.9	Confident	76.2	Confident	4 Å²	4	61 Å²	61	3%	0.033	34%	0.339	C	S	.	.	H	α-helix	trans	-56.4	-43.7	175.5	0	0	0	0	0	112.2	F69 I83 C85 T90 V91 S97 S98 C132	F69-A94 HydrophobicContact CE1-CB 4.26Å; F69-A94 HydrophobicContact CZ-CB 4.07Å; I83-A94 HydrophobicContact CG2-CB 4.22Å; C85-A94 VanDerWaalsContact SG-CB 3.57Å; T90-A94 WeakPolarHBondContact O-CB 3.37Å; T90-A94 PolarHBondContact O-N 3.26Å; V91-A94 PolarHBondContact O-N 3.36Å; A94-S97 PolarHBondContact O-N 2.94Å; A94-S98 WeakPolarHBondContact O-CB 3.38Å; A94-S98 PolarHBondContact O-N 2.85Å; A94-S98 VanDerWaalsContact O-N 3.07Å; A94-S98 PolarHBondContact O-OG 3.01Å; A94-C132 HydrophobicContact CB-CB 4.44Å
95	I	84.9	Confident	74.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-43.4	178.6	-62.7	170.8	0	0	0	110.7	F69 V71 I83 V91 L92 D93 L99 M105 L143	F69-I95 HydrophobicContact CE2-CD1 4.16Å; F69-I95 HydrophobicContact CE2-CG1 3.84Å; F69-I95 HydrophobicContact CZ-CG1 3.99Å; V71-I95 HydrophobicContact CG1-CD1 4.31Å; V71-I95 HydrophobicContact CG1-CG2 4.34Å; V71-I95 HydrophobicContact CG2-CD1 3.83Å; V71-I95 HydrophobicContact CG2-CG1 3.79Å; I83-I95 HydrophobicContact CG1-CG1 4.47Å; V91-I95 HydrophobicContact CG1-CD1 3.93Å; V91-I95 WeakPolarHBondContact O-CD1 3.47Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.32Å; V91-I95 VanDerWaalsContact O-N 3.13Å; L92-I95 PolarHBondContact O-N 3.03Å; D93-I95 VanDerWaalsContact C-N 3.3Å; D93-I95 PolarHBondContact O-N 3.47Å; I95-L99 HydrophobicContact CG2-CD1 3.92Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 PolarHBondContact O-N 3.14Å; I95-L99 VanDerWaalsContact O-N 3.07Å; I95-M105 HydrophobicContact CB-CE 4.12Å; I95-M105 HydrophobicContact CG2-CE 3.48Å; I95-M105 VanDerWaalsContact CG2-CE 3.48Å; I95-M105 HydrophobicContact CG2-SD 3.75Å; I95-L143 HydrophobicContact CD1-CD1 4.22Å; I95-L143 HydrophobicContact CD1-CD2 4.26Å; I95-L143 HydrophobicContact CG2-CD1 4.39Å
96	R	82.4	Confident	73.3	Confident	68 Å²	68	62.5 Å²	62.5	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-41.9	179.1	-75.1	173	169	164.2	-2.3	112.6	L92 D93 G100 M105 D110	L92-R96 WeakPolarHBondContact O-CG 3.48Å; L92-R96 PolarHBondContact O-N 3.22Å; L92-R96 VanDerWaalsContact O-N 3.11Å; D93-R96 PolarHBondContact O-N 3.25Å; R96-G100 CarbonylContact O-C 3.55Å; R96-G100 WeakPolarHBondContact O-CA 3.28Å; R96-G100 PolarHBondContact O-N 3Å; R96-M105 HydrophobicContact CG-CE 4.04Å; R96-M105 HydrophobicContact CG-SD 4.38Å; R96-D110 IonicContact CZ-OD1 2.76Å; R96-D110 IonicContact CZ-OD2 3.75Å; R96-D110 IonicContact NH1-OD1 2.84Å; R96-D110 PolarHBondContact NH1-OD1 3.45Å; R96-D110 IonicContact NH1-OD2 3.15Å; R96-D110 PolarHBondContact NH1-OD2 3.29Å; R96-D110 VanDerWaalsContact NH2-CG 3.31Å; R96-D110 IonicContact NH2-OD1 2.62Å; R96-D110 PolarHBondContact NH2-OD1 3.11Å; R96-D110 IonicContact NH2-OD2 3.69Å
97	S	79.9	Confident	72.3	Confident	103 Å²	103	65.1 Å²	65.1	72%	0.72	35%	0.351	S	S	*	.	H	α-helix	trans	-66.7	-42.5	179.3	-68.4	0	0	0	0	112.1	D93 A94	D93-S97 WeakPolarHBondContact O-CB 3.25Å; D93-S97 PolarHBondContact O-N 3.29Å; D93-S97 PolarHBondContact O-OG 3.24Å; A94-S97 PolarHBondContact O-N 2.94Å
98	S	76.6	Confident	71.6	Confident	61 Å²	61	62 Å²	62	43%	0.427	33%	0.334	S	S	.	.	H	α-helix	trans	-84.4	-30	-173.8	-58.2	0	0	0	0	114.3	A94	A94-S98 WeakPolarHBondContact O-CB 3.38Å; A94-S98 PolarHBondContact O-N 2.85Å; A94-S98 VanDerWaalsContact O-N 3.07Å; A94-S98 PolarHBondContact O-OG 3.01Å
99	L	73.2	Confident	71.1	Confident	40 Å²	40	62.7 Å²	62.7	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-96.6	-6.2	179.2	-58.3	-178.8	0	0	0	113.5	F73 Y81 I83 I95 T102	F73-L99 HydrophobicContact CE2-CD1 3.92Å; F73-L99 HydrophobicContact CZ-CD1 3.64Å; Y81-L99 HydrophobicContact CD1-CD1 4.41Å; Y81-L99 HydrophobicContact CD1-CD2 3.79Å; Y81-L99 HydrophobicContact CG-CD1 4.12Å; Y81-L99 HydrophobicContact CG-CD2 4.09Å; I83-L99 HydrophobicContact CD1-CD1 3.91Å; I83-L99 HydrophobicContact CD1-CD2 3.76Å; I83-L99 HydrophobicContact CD1-CG 3.59Å; I95-L99 HydrophobicContact CG2-CD1 3.92Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 PolarHBondContact O-N 3.14Å; I95-L99 VanDerWaalsContact O-N 3.07Å; L99-T102 WeakPolarHBondContact O-CG2 3.49Å
100	G	61.8	Low	70.6	Confident	34 Å²	34	64.3 Å²	64.3	35%	0.351	35%	0.345	S	S	.	.			trans	63.1	175.1	-166.2	0	0	0	0	0	111.9	R96 T102	R96-G100 CarbonylContact O-C 3.55Å; R96-G100 WeakPolarHBondContact O-CA 3.28Å; R96-G100 PolarHBondContact O-N 3Å; G100-T102 PolarHBondContact O-N 3.49Å
101	T	53.7	Low	69.9	Low	109 Å²	109	65.5 Å²	65.5	67%	0.669	35%	0.349	S	S	*	.	S	Bend	trans	-70.4	74.9	171.2	5.6	0	0	0	0	109.6	I106	T101-I106 HydrophobicContact CG2-CD1 3.93Å; T101-I106 HydrophobicContact CG2-CG1 3.58Å; T101-I106 WeakPolarHBondContact O-CD1 3.42Å
102	T	55.2	Low	69.5	Low	49 Å²	49	65.7 Å²	65.7	30%	0.301	35%	0.35	S	S	.	.			trans	-59.2	141.3	166.4	51.9	0	0	0	0	108.7	L99 G100 K104 M105 I106	L99-T102 WeakPolarHBondContact O-CG2 3.49Å; G100-T102 PolarHBondContact O-N 3.49Å; T102-K104 PolarHBondContact O-N 2.76Å; T102-M105 PolarHBondContact O-N 3.24Å; T102-I106 WeakPolarHBondContact O-CG1 3.48Å; T102-I106 PolarHBondContact O-N 3.49Å
103	E	50	Low	69.3	Low	182 Å²	182	66.2 Å²	66.2	85%	0.85	35%	0.353	S	S	*	.	H	α-helix	trans	-48.8	-25.6	-179.4	-72.9	-179	153	0	0	113.7
104	K	55.5	Low	69.3	Low	113 Å²	113	62.9 Å²	62.9	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-27.5	177.3	-65	-176.1	178.6	-178.2	0	114.3	E77 T102	E77-K104 IonicContact OE1-NZ 2.7Å; E77-K104 PolarHBondContact OE1-NZ 3.02Å; T102-K104 PolarHBondContact O-N 2.76Å
105	M	55.3	Low	69.5	Low	15 Å²	15	62.7 Å²	62.7	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-98.4	-21.3	179.9	-69.4	-173.3	99	0	0	114.1	F73 L92 I95 R96 T102 K107 L143	F73-M105 HydrophobicContact CE1-CE 4.39Å; F73-M105 HydrophobicContact CE1-CG 3.61Å; F73-M105 HydrophobicContact CE1-SD 3.78Å; F73-M105 HydrophobicContact CZ-CG 4.28Å; F73-M105 HydrophobicContact CZ-SD 4.1Å; L92-M105 HydrophobicContact CD1-CE 3.89Å; I95-M105 HydrophobicContact CB-CE 4.12Å; I95-M105 HydrophobicContact CG2-CE 3.48Å; I95-M105 VanDerWaalsContact CG2-CE 3.48Å; I95-M105 HydrophobicContact CG2-SD 3.75Å; R96-M105 HydrophobicContact CG-CE 4.04Å; R96-M105 HydrophobicContact CG-SD 4.38Å; T102-M105 PolarHBondContact O-N 3.24Å; M105-K107 VanDerWaalsContact C-N 3.27Å; M105-K107 PolarHBondContact O-N 2.85Å; M105-L143 HydrophobicContact CE-CD1 4.02Å
106	I	51.5	Low	69.7	Low	109 Å²	109	62.7 Å²	62.7	56%	0.559	33%	0.334	S	S	*	.	H	α-helix	trans	-68.7	-26.1	-178.2	-45.2	-166.5	0	0	0	112.3	T101 T102 Y108	T101-I106 HydrophobicContact CG2-CD1 3.93Å; T101-I106 HydrophobicContact CG2-CG1 3.58Å; T101-I106 WeakPolarHBondContact O-CD1 3.42Å; T102-I106 WeakPolarHBondContact O-CG1 3.48Å; T102-I106 PolarHBondContact O-N 3.49Å; I106-Y108 VanDerWaalsContact C-N 3.33Å; I106-Y108 PolarHBondContact O-N 2.97Å
107	K	58.8	Low	70	Confident	161 Å²	161	60 Å²	60	70%	0.7	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.1	-164.9	-159.5	171.9	179.4	-178.4	0	114.4	M105	M105-K107 VanDerWaalsContact C-N 3.27Å; M105-K107 PolarHBondContact O-N 2.85Å
108	Y	65.3	Low	70.1	Confident	77 Å²	77	55.6 Å²	55.6	30%	0.302	30%	0.295	S	S	.	.	S	Bend	trans	-133.3	136.7	-161.6	-53.4	-53.6	0	0	0	113.7	I106 H145	I106-Y108 VanDerWaalsContact C-N 3.33Å; I106-Y108 PolarHBondContact O-N 2.97Å; Y108-H145 WeakPolarHBondContact CB-CE1 3.23Å; Y108-H145 WeakPolarHBondContact CB-ND1 3.29Å; Y108-H145 AromaticContact CD1-CD2 3.55Å; Y108-H145 AromaticContact CD1-CE1 3.02Å; Y108-H145 WeakPolarHBondContact CD1-CE1 3.33Å; Y108-H145 AromaticContact CD1-CG 3.96Å; Y108-H145 AromaticContact CD1-ND1 3.66Å; Y108-H145 AromaticContact CD1-NE2 2.92Å; Y108-H145 WeakPolarHBondContact CD1-NE2 3.34Å; Y108-H145 HydrophobicContact CD2-CB 4.28Å; Y108-H145 AromaticContact CD2-CD2 3.71Å; Y108-H145 AromaticContact CD2-CE1 3.82Å; Y108-H145 AromaticContact CD2-CG 3.48Å; Y108-H145 VanDerWaalsContact CD2-CG 3.48Å; Y108-H145 AromaticContact CD2-ND1 3.56Å; Y108-H145 AromaticContact CD2-NE2 3.92Å; Y108-H145 AromaticContact CE1-CD2 3.34Å; Y108-H145 WeakPolarHBondContact CE1-CD2 3.45Å; Y108-H145 AromaticContact CE1-CE1 3.64Å; Y108-H145 AromaticContact CE1-NE2 3Å; Y108-H145 WeakPolarHBondContact CE1-NE2 3.42Å; Y108-H145 HydrophobicContact CE2-CB 4.35Å; Y108-H145 AromaticContact CE2-CD2 3.51Å; Y108-H145 AromaticContact CE2-CG 3.66Å; Y108-H145 AromaticContact CE2-NE2 3.98Å; Y108-H145 AromaticContact CG-CD2 3.7Å; Y108-H145 AromaticContact CG-CE1 3.09Å; Y108-H145 AromaticContact CG-CG 3.62Å; Y108-H145 AromaticContact CG-ND1 3.24Å; Y108-H145 AromaticContact CG-NE2 3.4Å; Y108-H145 AromaticContact CZ-CD2 3.3Å; Y108-H145 AromaticContact CZ-CG 3.95Å; Y108-H145 AromaticContact CZ-NE2 3.54Å
109	P	70.9	Confident	70.2	Confident	67 Å²	67	59.1 Å²	59.1	44%	0.435	30%	0.303	S	S	.	.			trans	-70.8	144.9	177.8	29.8	-34	0	0	0	111.1	E111 S112	P109-E111 HydrophobicContact CB-CG 3.99Å; P109-E111 HydrophobicContact CG-CG 4.35Å; P109-E111 PolarHBondContact O-N 3.04Å; P109-E111 VanDerWaalsContact O-N 3.16Å; P109-S112 WeakPolarHBondContact CD-OG 3.48Å; P109-S112 WeakPolarHBondContact O-CB 3.35Å; P109-S112 PolarHBondContact O-N 3.48Å; P109-S112 PolarHBondContact O-OG 2.73Å
110	D	73.5	Confident	70.3	Confident	64 Å²	64	65.4 Å²	65.4	34%	0.342	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-52.4	-41	-176.4	-60.9	25.3	0	0	0	111.9	L92 R96 S112 I113	L92-D110 HydrophobicContact CD2-CB 4.06Å; R96-D110 IonicContact CZ-OD1 2.76Å; R96-D110 IonicContact CZ-OD2 3.75Å; R96-D110 IonicContact NH1-OD1 2.84Å; R96-D110 PolarHBondContact NH1-OD1 3.45Å; R96-D110 IonicContact NH1-OD2 3.15Å; R96-D110 PolarHBondContact NH1-OD2 3.29Å; R96-D110 VanDerWaalsContact NH2-CG 3.31Å; R96-D110 IonicContact NH2-OD1 2.62Å; R96-D110 PolarHBondContact NH2-OD1 3.11Å; R96-D110 IonicContact NH2-OD2 3.69Å; D110-S112 PolarHBondContact O-N 3.03Å; D110-I113 PolarHBondContact O-N 3.45Å; D110-I113 VanDerWaalsContact O-N 3.09Å
111	E	73.9	Confident	70.8	Confident	44 Å²	44	69 Å²	69	21%	0.206	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-61.4	-7.9	177.6	53.6	175.7	-164.5	0	0	115.1	P109 K150 I151 E152 V154	P109-E111 HydrophobicContact CB-CG 3.99Å; P109-E111 HydrophobicContact CG-CG 4.35Å; P109-E111 PolarHBondContact O-N 3.04Å; P109-E111 VanDerWaalsContact O-N 3.16Å; E111-K150 HydrophobicContact CG-CG 4.45Å; E111-K150 WeakPolarHBondContact OE1-CE 2.94Å; E111-K150 IonicContact OE1-NZ 2.87Å; E111-K150 PolarHBondContact OE1-NZ 3.29Å; E111-K150 IonicContact OE2-NZ 3.34Å; E111-K150 PolarHBondContact OE2-NZ 3Å; E111-I151 WeakPolarHBondContact O-CB 3.33Å; E111-I151 PolarHBondContact O-N 2.94Å; E111-E152 WeakPolarHBondContact CB-O 3.5Å; E111-V154 HydrophobicContact CB-CG2 4.33Å
112	S	78.9	Confident	71.8	Confident	4 Å²	4	69.1 Å²	69.1	3%	0.028	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-107.9	4.3	178.9	72.1	0	0	0	0	114.3	P109 D110 H145 Y146	P109-S112 WeakPolarHBondContact CD-OG 3.48Å; P109-S112 WeakPolarHBondContact O-CB 3.35Å; P109-S112 PolarHBondContact O-N 3.48Å; P109-S112 PolarHBondContact O-OG 2.73Å; D110-S112 PolarHBondContact O-N 3.03Å; S112-H145 PolarHBondContact OG-CE1 2.83Å; S112-H145 VanDerWaalsContact OG-CE1 3.3Å; S112-H145 PolarHBondContact OG-ND1 3.37Å; S112-Y146 PolarHBondContact O-N 2.88Å
113	I	83.3	Confident	73.2	Confident	13 Å²	13	69 Å²	69	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.9	-177.9	-58.8	176.6	0	0	0	109.3	L92 D110 I115 T128 L143	L92-I113 HydrophobicContact CD1-CD1 3.95Å; L92-I113 HydrophobicContact CD2-CD1 4.24Å; D110-I113 PolarHBondContact O-N 3.45Å; D110-I113 VanDerWaalsContact O-N 3.09Å; I113-I115 HydrophobicContact CG2-CG1 4.17Å; I113-T128 HydrophobicContact CB-CG2 4.27Å; I113-L143 HydrophobicContact CG2-CD2 4.07Å
114	I	85.6	Confident	75	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	166.4	-69.8	165.8	0	0	0	108.8	V125 L143 Y144 Y146 I151 I191 F195	I114-V125 HydrophobicContact CG2-CB 4.26Å; I114-V125 HydrophobicContact CG2-CG1 3.55Å; I114-L143 WeakPolarHBondContact O-CA 3.46Å; I114-Y144 HydrophobicContact CG2-CD2 4.33Å; I114-Y144 PolarHBondContact N-O 3.4Å; I114-Y144 PolarHBondContact O-N 3.33Å; I114-Y146 HydrophobicContact CD1-CD2 4.06Å; I114-Y146 HydrophobicContact CD1-CE2 3.98Å; I114-I151 HydrophobicContact CD1-CD1 3.71Å; I114-I151 HydrophobicContact CD1-CG2 4.3Å; I114-I151 HydrophobicContact CG1-CD1 3.61Å; I114-I151 HydrophobicContact CG1-CG2 3.96Å; I114-I191 HydrophobicContact CD1-CD1 4.47Å; I114-I191 HydrophobicContact CD1-CG2 3.87Å; I114-F195 HydrophobicContact CD1-CE2 4.06Å; I114-F195 HydrophobicContact CD1-CZ 4.48Å; I114-F195 HydrophobicContact CG2-CE2 4Å; I114-F195 HydrophobicContact CG2-CZ 3.75Å
115	I	89.1	Confident	76.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106.2	176.8	-51.9	-170.9	0	0	0	108.3	V91 L92 I113 V125 V126 T128 V141 L143	V91-I115 HydrophobicContact CB-CD1 4.45Å; V91-I115 HydrophobicContact CG1-CD1 4.19Å; V91-I115 HydrophobicContact CG1-CG2 4.22Å; L92-I115 HydrophobicContact CB-CD1 4.39Å; I113-I115 HydrophobicContact CG2-CG1 4.17Å; I115-V125 CarbonylContact O-C 3.51Å; I115-V125 VanDerWaalsContact O-CA 3.25Å; I115-V125 WeakPolarHBondContact O-CA 3.25Å; I115-V126 HydrophobicContact CB-CG2 3.63Å; I115-V126 HydrophobicContact CG2-CG2 3.4Å; I115-V126 PolarHBondContact O-N 2.97Å; I115-T128 HydrophobicContact CD1-CG2 4.46Å; I115-V141 HydrophobicContact CG2-CG1 3.2Å; I115-L143 HydrophobicContact CB-CD2 4.32Å; I115-L143 HydrophobicContact CD1-CD2 4.3Å; I115-L143 HydrophobicContact CG1-CD2 3.74Å; I115-L143 HydrophobicContact CG2-CD2 4.25Å
116	Q	89.4	Confident	78.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134	172.3	-178.5	-175.9	-68.8	0	0	110.2	G118 R120 S124 V125 V141 I142 Y144	Q116-G118 PolarHBondContact NE2-O 3.5Å; Q116-R120 PolarHBondContact NE2-O 2.95Å; Q116-R120 VanDerWaalsContact NE2-O 3.1Å; Q116-S124 CarbonylContact C-O 3.58Å; Q116-S124 WeakPolarHBondContact CA-O 3.47Å; Q116-S124 VanDerWaalsContact CG-O 3.29Å; Q116-S124 WeakPolarHBondContact CG-O 3.48Å; Q116-V125 HydrophobicContact CB-CG1 4.3Å; Q116-V141 CarbonylContact O-C 3.58Å; Q116-V141 VanDerWaalsContact O-CA 3.29Å; Q116-V141 WeakPolarHBondContact O-CA 3.39Å; Q116-I142 HydrophobicContact CB-CB 4.26Å; Q116-I142 PolarHBondContact N-O 3.05Å; Q116-I142 PolarHBondContact O-N 3.37Å; Q116-Y144 HydrophobicContact CB-CD2 4.35Å; Q116-Y144 HydrophobicContact CB-CE2 3.7Å; Q116-Y144 PolarHBondContact OE1-OH 2.74Å
117	L	87.8	Confident	80.3	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.058	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.5	173.6	-169.7	69.9	0	0	0	109.7	S124 V126 I135 E139 V141	L117-S124 PolarHBondContact N-O 3.11Å; L117-V126 HydrophobicContact CB-CG1 4.22Å; L117-V126 HydrophobicContact CD2-CG1 4.28Å; L117-I135 HydrophobicContact CD1-CD1 4.37Å; L117-I135 HydrophobicContact CD1-CG1 4.28Å; L117-I135 HydrophobicContact CD1-CG2 4.29Å; L117-E139 HydrophobicContact CD1-CG 4.04Å; L117-E139 WeakPolarHBondContact CG-OE1 3.42Å; L117-V141 HydrophobicContact CD1-CG2 4.27Å
118	G	83.9	Confident	81.7	Confident	11 Å²	11	42.9 Å²	42.9	11%	0.113	20%	0.202	C	C	.	.	S	Bend	trans	88.3	167.1	178.7	0	0	0	0	0	115	Q116 T140	Q116-G118 PolarHBondContact NE2-O 3.5Å; G118-T140 WeakPolarHBondContact CA-O 3.09Å; G118-T140 PolarHBondContact N-O 3.47Å
119	K	76.7	Confident	82.8	Confident	135 Å²	135	41.5 Å²	41.5	59%	0.587	20%	0.198	S	C	*	.	S	Bend	trans	-86.6	-14.9	-178.2	-63.2	-173.2	-178.6	-173.9	0	114	D121 T140	K119-D121 PolarHBondContact O-N 3.28Å; K119-T140 WeakPolarHBondContact CE-OG1 3.43Å; K119-T140 HydrophobicContact CG-CG2 4.13Å
120	R	77	Confident	83.7	Confident	171 Å²	171	38.4 Å²	38.4	65%	0.645	18%	0.177	S	C	*	.	S	Bend	trans	-72.7	126.8	178.2	-60.8	-164.4	-165.8	122.1	1.1	108.8	Q116 R122 E123	Q116-R120 PolarHBondContact NE2-O 2.95Å; Q116-R120 VanDerWaalsContact NE2-O 3.1Å; R120-R122 PolarHBondContact O-N 2.86Å; R120-E123 HydrophobicContact CB-CB 3.84Å; R120-E123 VanDerWaalsContact CB-OE2 3.3Å; R120-E123 WeakPolarHBondContact CB-OE2 3.2Å; R120-E123 VanDerWaalsContact CD-OE2 3.24Å; R120-E123 WeakPolarHBondContact CD-OE2 3.03Å; R120-E123 WeakPolarHBondContact CG-OE2 3.34Å; R120-E123 IonicContact CZ-OE1 3.6Å; R120-E123 IonicContact CZ-OE2 3.62Å; R120-E123 IonicContact NE-OE2 2.72Å; R120-E123 IonicContact NH1-OE1 3.03Å; R120-E123 PolarHBondContact NH1-OE1 3.04Å; R120-E123 IonicContact NH1-OE2 3.14Å; R120-E123 PolarHBondContact NH1-OE2 3.21Å; R120-E123 PolarHBondContact O-N 2.98Å
121	D	72.6	Confident	84.4	Confident	111 Å²	111	35.4 Å²	35.4	59%	0.594	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	126.3	-176.5	-171.5	43.4	0	0	0	110.7	K119 E123	K119-D121 PolarHBondContact O-N 3.28Å; D121-E123 PolarHBondContact O-N 2.85Å; D121-E123 VanDerWaalsContact O-N 3.14Å
122	R	74.1	Confident	85.1	Confident	110 Å²	110	33.3 Å²	33.3	42%	0.415	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	28.3	175.7	-57.7	174.5	-175.5	-156.1	-5.4	115.3	R120 Q194 F195 K196	R120-R122 PolarHBondContact O-N 2.86Å; R122-Q194 WeakPolarHBondContact CB-O 3.14Å; R122-Q194 WeakPolarHBondContact CD-O 3.36Å; R122-F195 HydrophobicContact CB-CD1 3.89Å; R122-F195 HydrophobicContact CB-CE1 4.29Å; R122-F195 HydrophobicContact CG-CD1 4.27Å; R122-F195 HydrophobicContact CG-CE1 4.19Å; R122-F195 CarbonylContact O-C 3.52Å; R122-F195 VanDerWaalsContact O-CA 3.23Å; R122-F195 WeakPolarHBondContact O-CA 3.33Å; R122-K196 PolarHBondContact O-N 2.75Å
123	E	84.2	Confident	85.4	Confident	47 Å²	47	33.5 Å²	33.5	22%	0.22	15%	0.153	C	C	.	.			trans	-74.3	-60.9	-177.7	-179.8	164.6	-131.1	0	0	112.5	R120 D121 K196 F197	R120-E123 HydrophobicContact CB-CB 3.84Å; R120-E123 VanDerWaalsContact CB-OE2 3.3Å; R120-E123 WeakPolarHBondContact CB-OE2 3.2Å; R120-E123 VanDerWaalsContact CD-OE2 3.24Å; R120-E123 WeakPolarHBondContact CD-OE2 3.03Å; R120-E123 WeakPolarHBondContact CG-OE2 3.34Å; R120-E123 IonicContact CZ-OE1 3.6Å; R120-E123 IonicContact CZ-OE2 3.62Å; R120-E123 IonicContact NE-OE2 2.72Å; R120-E123 IonicContact NH1-OE1 3.03Å; R120-E123 PolarHBondContact NH1-OE1 3.04Å; R120-E123 IonicContact NH1-OE2 3.14Å; R120-E123 PolarHBondContact NH1-OE2 3.21Å; R120-E123 PolarHBondContact O-N 2.98Å; D121-E123 PolarHBondContact O-N 2.85Å; D121-E123 VanDerWaalsContact O-N 3.14Å; E123-K196 WeakPolarHBondContact O-CB 3.42Å; E123-K196 PolarHBondContact O-N 2.82Å; E123-F197 PolarHBondContact O-N 2.78Å
124	S	87.9	Confident	85.6	Confident	11 Å²	11	33.7 Å²	33.7	8%	0.077	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.2	-175.3	-62.5	0	0	0	0	111.9	Q116 L117 F197	Q116-S124 CarbonylContact C-O 3.58Å; Q116-S124 WeakPolarHBondContact CA-O 3.47Å; Q116-S124 VanDerWaalsContact CG-O 3.29Å; Q116-S124 WeakPolarHBondContact CG-O 3.48Å; L117-S124 PolarHBondContact N-O 3.11Å; S124-F197 VanDerWaalsContact CA-O 3.31Å; S124-F197 WeakPolarHBondContact CA-O 3.46Å
125	V	91.6	Very high	85.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.5	173.9	-71.6	0	0	0	0	111.7	I114 I115 Q116 L192 F195 F197 L198 C199 R217	I114-V125 HydrophobicContact CG2-CB 4.26Å; I114-V125 HydrophobicContact CG2-CG1 3.55Å; I115-V125 CarbonylContact O-C 3.51Å; I115-V125 VanDerWaalsContact O-CA 3.25Å; I115-V125 WeakPolarHBondContact O-CA 3.25Å; Q116-V125 HydrophobicContact CB-CG1 4.3Å; V125-L192 HydrophobicContact CG2-CD2 4.47Å; V125-F195 HydrophobicContact CB-CG 4.46Å; V125-F195 HydrophobicContact CG1-CB 4.3Å; V125-F195 HydrophobicContact CG1-CD1 3.29Å; V125-F195 HydrophobicContact CG1-CD2 3.75Å; V125-F195 HydrophobicContact CG1-CE1 3.39Å; V125-F195 HydrophobicContact CG1-CE2 3.83Å; V125-F195 HydrophobicContact CG1-CG 3.49Å; V125-F195 VanDerWaalsContact CG1-CG 3.49Å; V125-F195 HydrophobicContact CG1-CZ 3.68Å; V125-F195 HydrophobicContact CG2-CB 4.22Å; V125-F195 HydrophobicContact CG2-CD2 4.21Å; V125-F195 HydrophobicContact CG2-CG 4.11Å; V125-F197 PolarHBondContact N-O 2.8Å; V125-L198 HydrophobicContact CG2-CD1 4.4Å; V125-L198 HydrophobicContact CG2-CG 4.03Å; V125-C199 WeakPolarHBondContact O-CB 2.87Å; V125-C199 PolarHBondContact O-N 2.78Å; V125-R217 PolarHBondContact O-NH1 3.49Å
126	V	91.7	Very high	85.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	154.6	176.5	-64.1	0	0	0	0	110.2	I115 L117 F130 C199 R217	I115-V126 HydrophobicContact CB-CG2 3.63Å; I115-V126 HydrophobicContact CG2-CG2 3.4Å; I115-V126 PolarHBondContact O-N 2.97Å; L117-V126 HydrophobicContact CB-CG1 4.22Å; L117-V126 HydrophobicContact CD2-CG1 4.28Å; V126-F130 HydrophobicContact CB-CB 3.92Å; V126-F130 HydrophobicContact CB-CD1 4.09Å; V126-F130 HydrophobicContact CB-CD2 3.89Å; V126-F130 HydrophobicContact CB-CE2 4.35Å; V126-F130 HydrophobicContact CB-CG 3.72Å; V126-F130 HydrophobicContact CG1-CD1 3.98Å; V126-F130 HydrophobicContact CG1-CD2 4.02Å; V126-F130 HydrophobicContact CG1-CE1 3.94Å; V126-F130 HydrophobicContact CG1-CE2 3.97Å; V126-F130 HydrophobicContact CG1-CG 4Å; V126-F130 HydrophobicContact CG1-CZ 3.94Å; V126-F130 HydrophobicContact CG2-CB 4.16Å; V126-F130 HydrophobicContact CG2-CD1 4.41Å; V126-F130 HydrophobicContact CG2-CG 4.28Å; V126-C199 HydrophobicContact CG1-CB 3.7Å; V126-R217 PolarHBondContact O-NH1 3.33Å
127	P	90.6	Very high	85.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.			trans	-70	159.3	174.7	30.7	-34.6	0	0	0	111.6	H129 F130 E152 Y201	P127-H129 PolarHBondContact O-N 3.38Å; P127-F130 HydrophobicContact CG-CB 4.08Å; P127-F130 HydrophobicContact CG-CD2 4.05Å; P127-F130 WeakPolarHBondContact O-CB 3.5Å; P127-F130 PolarHBondContact O-N 3.25Å; P127-E152 VanDerWaalsContact CA-OE1 3.31Å; P127-E152 WeakPolarHBondContact CA-OE1 3.33Å; P127-Y201 HydrophobicContact CG-CD1 4.25Å; P127-Y201 HydrophobicContact CG-CE1 4.01Å
128	T	87.2	Confident	84.8	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.117	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.3	178.8	51.2	0	0	0	0	113.6	L92 I113 I115 F130 E152	L92-T128 WeakPolarHBondContact CB-O 3.37Å; L92-T128 HydrophobicContact CD2-CG2 4.14Å; I113-T128 HydrophobicContact CB-CG2 4.27Å; I115-T128 HydrophobicContact CD1-CG2 4.46Å; T128-F130 VanDerWaalsContact C-N 3.31Å; T128-F130 PolarHBondContact O-N 3.15Å; T128-E152 WeakPolarHBondContact CB-OE2 2.94Å; T128-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T128-E152 PolarHBondContact N-OE1 3.03Å; T128-E152 PolarHBondContact N-OE2 2.94Å; T128-E152 PolarHBondContact OG1-OE2 3.04Å
129	H	88.1	Confident	85	Confident	48 Å²	48	43.7 Å²	43.7	22%	0.222	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	14.6	176.9	61.8	66.9	0	0	0	113.7	T90 P127 Y201 Q214 D215	T90-H129 HydrophobicContact CG2-CB 4.31Å; P127-H129 PolarHBondContact O-N 3.38Å; H129-Y201 AromaticContact CE1-CE1 3.57Å; H129-Y201 AromaticContact ND1-CE1 3.36Å; H129-Y201 WeakPolarHBondContact ND1-CE1 3.39Å; H129-Y201 AromaticContact ND1-CZ 3.57Å; H129-Y201 PolarHBondContact ND1-OH 3.17Å; H129-Y201 PolarHBondContact O-OH 2.67Å; H129-Y201 VanDerWaalsContact O-OH 3.1Å; H129-Q214 PolarHBondContact CE1-O 3.32Å; H129-Q214 PolarHBondContact NE2-O 3.48Å; H129-Q214 VanDerWaalsContact NE2-O 3.15Å; H129-D215 PolarHBondContact NE2-O 3.19Å
130	F	90	Very high	85.6	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.192	C	C	.	.			trans	-61.1	137.1	179.4	-162.7	-106.6	0	0	0	110.9	T90 V91 V126 P127 T128 C132 C134 I135 V170 Y201	T90-F130 CarbonylContact C-O 3.49Å; T90-F130 VanDerWaalsContact CA-O 3.3Å; T90-F130 WeakPolarHBondContact CA-O 3.33Å; V91-F130 HydrophobicContact CG2-CB 4.15Å; V91-F130 HydrophobicContact CG2-CD1 4.08Å; V91-F130 WeakPolarHBondContact CG2-O 3.38Å; V91-F130 PolarHBondContact N-O 3.31Å; V126-F130 HydrophobicContact CB-CB 3.92Å; V126-F130 HydrophobicContact CB-CD1 4.09Å; V126-F130 HydrophobicContact CB-CD2 3.89Å; V126-F130 HydrophobicContact CB-CE2 4.35Å; V126-F130 HydrophobicContact CB-CG 3.72Å; V126-F130 HydrophobicContact CG1-CD1 3.98Å; V126-F130 HydrophobicContact CG1-CD2 4.02Å; V126-F130 HydrophobicContact CG1-CE1 3.94Å; V126-F130 HydrophobicContact CG1-CE2 3.97Å; V126-F130 HydrophobicContact CG1-CG 4Å; V126-F130 HydrophobicContact CG1-CZ 3.94Å; V126-F130 HydrophobicContact CG2-CB 4.16Å; V126-F130 HydrophobicContact CG2-CD1 4.41Å; V126-F130 HydrophobicContact CG2-CG 4.28Å; P127-F130 HydrophobicContact CG-CB 4.08Å; P127-F130 HydrophobicContact CG-CD2 4.05Å; P127-F130 WeakPolarHBondContact O-CB 3.5Å; P127-F130 PolarHBondContact O-N 3.25Å; T128-F130 VanDerWaalsContact C-N 3.31Å; T128-F130 PolarHBondContact O-N 3.15Å; F130-C132 PolarHBondContact O-N 3.47Å; F130-C134 HydrophobicContact CD1-CB 4.22Å; F130-C134 HydrophobicContact CE1-CB 3.44Å; F130-C134 VanDerWaalsContact CE1-CB 3.44Å; F130-C134 HydrophobicContact CZ-CB 3.72Å; F130-I135 HydrophobicContact CD1-CG1 4.3Å; F130-I135 HydrophobicContact CE1-CG1 4.27Å; F130-V170 HydrophobicContact CE2-CG1 4.4Å; F130-V170 HydrophobicContact CZ-CG1 4.02Å; F130-V170 HydrophobicContact CZ-CG2 4.12Å; F130-Y201 AromaticContact CD2-CD1 3.52Å; F130-Y201 HydrophobicContact CD2-CD1 3.52Å; F130-Y201 HydrophobicContact CD2-CE1 4.18Å; F130-Y201 HydrophobicContact CD2-CG 4.15Å; F130-Y201 AromaticContact CE2-CD1 3.95Å; F130-Y201 HydrophobicContact CE2-CD1 3.95Å; F130-Y201 HydrophobicContact CE2-CG 4.22Å; F130-Y201 HydrophobicContact CG-CD1 4.49Å
131	P	89.7	Confident	86.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-65.4	129.1	177.3	-22.2	33.8	0	0	0	111	S133 C134 I162 Y168 Y201	P131-S133 PolarHBondContact O-N 3.32Å; P131-C134 HydrophobicContact CB-CB 4.45Å; P131-C134 WeakPolarHBondContact O-CB 3.32Å; P131-C134 PolarHBondContact O-N 3.36Å; P131-I162 HydrophobicContact CB-CG2 4.04Å; P131-Y168 HydrophobicContact CB-CD2 4.3Å; P131-Y168 HydrophobicContact CB-CE2 3.83Å; P131-Y168 HydrophobicContact CG-CD2 4.13Å; P131-Y168 HydrophobicContact CG-CE1 4.12Å; P131-Y168 HydrophobicContact CG-CE2 3.7Å; P131-Y201 HydrophobicContact CG-CD2 3.65Å; P131-Y201 HydrophobicContact CG-CE2 3.52Å; P131-Y201 HydrophobicContact CG-CG 4.26Å
132	C	87.3	Confident	86.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.3	177.5	59.2	0	0	0	0	111.5	H67 F69 S89 V91 A94 F130 C134 I135	H67-C132 PolarHBondContact CD2-O 3.26Å; H67-C132 PolarHBondContact CE1-SG 3.19Å; H67-C132 WeakPolarHBondContact NE2-CB 3.37Å; H67-C132 PolarHBondContact NE2-O 3.3Å; F69-C132 HydrophobicContact CE1-CB 4.25Å; S89-C132 PolarHBondContact N-SG 2.97Å; S89-C132 VanDerWaalsContact N-SG 3.4Å; S89-C132 PolarHBondContact O-N 3.36Å; S89-C132 PolarHBondContact O-SG 3.4Å; S89-C132 PolarHBondContact OG-SG 2.88Å; S89-C132 VanDerWaalsContact OG-SG 3.33Å; V91-C132 HydrophobicContact CG2-CB 4.31Å; A94-C132 HydrophobicContact CB-CB 4.44Å; F130-C132 PolarHBondContact O-N 3.47Å; C132-C134 PolarHBondContact O-N 3.09Å; C132-I135 WeakPolarHBondContact O-CB 3.43Å; C132-I135 PolarHBondContact O-N 2.98Å
133	S	85.3	Confident	87.4	Confident	9 Å²	9	19.8 Å²	19.8	6%	0.063	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-57.9	-18.1	174.8	65.2	0	0	0	0	115.2	H67 P131 H163 K165	H67-S133 PolarHBondContact CE1-N 3.44Å; H67-S133 VanDerWaalsContact CE1-N 3.33Å; P131-S133 PolarHBondContact O-N 3.32Å; S133-H163 PolarHBondContact OG-O 3.49Å; S133-K165 WeakPolarHBondContact O-CB 3.33Å; S133-K165 WeakPolarHBondContact O-CD 3.21Å; S133-K165 WeakPolarHBondContact O-CG 3.43Å
134	C	87.5	Confident	87.2	Confident	16 Å²	16	19.1 Å²	19.1	11%	0.108	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-88.6	-9	177.9	-70.1	0	0	0	0	113.5	F130 P131 C132 V170	F130-C134 HydrophobicContact CD1-CB 4.22Å; F130-C134 HydrophobicContact CE1-CB 3.44Å; F130-C134 VanDerWaalsContact CE1-CB 3.44Å; F130-C134 HydrophobicContact CZ-CB 3.72Å; P131-C134 HydrophobicContact CB-CB 4.45Å; P131-C134 WeakPolarHBondContact O-CB 3.32Å; P131-C134 PolarHBondContact O-N 3.36Å; C132-C134 PolarHBondContact O-N 3.09Å; C134-V170 HydrophobicContact CB-CG2 3.95Å
135	I	87.3	Confident	86.5	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	-79.4	141.1	173.5	-61.8	-167.5	0	0	0	109.6	F69 V91 L117 F130 C132 E139 V141	F69-I135 HydrophobicContact CB-CG2 3.8Å; F69-I135 HydrophobicContact CG-CG2 4.3Å; V91-I135 HydrophobicContact CB-CD1 4.3Å; V91-I135 HydrophobicContact CG1-CD1 3.9Å; V91-I135 HydrophobicContact CG2-CD1 3.34Å; V91-I135 HydrophobicContact CG2-CG1 3.98Å; L117-I135 HydrophobicContact CD1-CD1 4.37Å; L117-I135 HydrophobicContact CD1-CG1 4.28Å; L117-I135 HydrophobicContact CD1-CG2 4.29Å; F130-I135 HydrophobicContact CD1-CG1 4.3Å; F130-I135 HydrophobicContact CE1-CG1 4.27Å; C132-I135 WeakPolarHBondContact O-CB 3.43Å; C132-I135 PolarHBondContact O-N 2.98Å; I135-E139 HydrophobicContact CG2-CB 3.82Å; I135-E139 HydrophobicContact CG2-CG 4.4Å; I135-V141 HydrophobicContact CD1-CG2 3.62Å
136	G	83.8	Confident	85.4	Confident	24 Å²	24	24.5 Å²	24.5	25%	0.247	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-66.4	145.2	174.3	0	0	0	0	0	112.3	G138 E139	G136-G138 PolarHBondContact O-N 3.08Å; G136-E139 PolarHBondContact N-OE2 3.32Å; G136-E139 WeakPolarHBondContact O-CB 3.35Å; G136-E139 PolarHBondContact O-N 3.33Å
137	D	83.1	Confident	83.7	Confident	112 Å²	112	28.5 Å²	28.5	60%	0.599	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	128.9	176	-167.1	54.4	0	0	0	110.8	R68 E139	R68-D137 WeakPolarHBondContact CB-OD1 3.42Å; R68-D137 PolarHBondContact N-OD1 3.47Å; R68-D137 CarbonylContact O-C 3.5Å; R68-D137 WeakPolarHBondContact O-CA 3.44Å; D137-E139 PolarHBondContact O-N 3.19Å
138	G	82	Confident	82.1	Confident	34 Å²	34	33.8 Å²	33.8	35%	0.351	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.2	-174.2	0	0	0	0	0	115.2	R68 G136	R68-G138 PolarHBondContact O-N 3.01Å; G136-G138 PolarHBondContact O-N 3.08Å
139	E	88.3	Confident	81.1	Confident	62 Å²	62	36.8 Å²	36.8	29%	0.29	22%	0.218	S	C	.	.			trans	-68.4	148.4	178.3	-169.7	166.3	-158.9	0	0	111.3	F69 I70 L117 I135 G136 D137	F69-E139 WeakPolarHBondContact CB-O 3.49Å; I70-E139 PolarHBondContact N-O 3.09Å; L117-E139 HydrophobicContact CD1-CG 4.04Å; L117-E139 WeakPolarHBondContact CG-OE1 3.42Å; I135-E139 HydrophobicContact CG2-CB 3.82Å; I135-E139 HydrophobicContact CG2-CG 4.4Å; G136-E139 PolarHBondContact N-OE2 3.32Å; G136-E139 WeakPolarHBondContact O-CB 3.35Å; G136-E139 PolarHBondContact O-N 3.33Å; D137-E139 PolarHBondContact O-N 3.19Å
140	T	87.6	Confident	80.4	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.043	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.1	-178.7	-55.3	0	0	0	0	111	I70 K72 G118 K119 I142	I70-T140 HydrophobicContact CG2-CG2 4.4Å; I70-T140 CarbonylContact O-C 3.22Å; I70-T140 WeakPolarHBondContact O-CA 3.48Å; K72-T140 HydrophobicContact CG-CG2 4.48Å; G118-T140 WeakPolarHBondContact CA-O 3.09Å; G118-T140 PolarHBondContact N-O 3.47Å; K119-T140 WeakPolarHBondContact CE-OG1 3.43Å; K119-T140 HydrophobicContact CG-CG2 4.13Å; T140-I142 HydrophobicContact CG2-CG1 4.37Å
141	V	89.6	Confident	79.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.6	173.7	176.4	0	0	0	0	109.2	F69 I70 V71 K72 I115 Q116 L117 I135	F69-V141 HydrophobicContact CD2-CB 4.5Å; F69-V141 HydrophobicContact CD2-CG2 4.06Å; F69-V141 HydrophobicContact CE2-CG2 4.5Å; I70-V141 PolarHBondContact O-N 2.7Å; V71-V141 CarbonylContact C-O 3.53Å; V71-V141 WeakPolarHBondContact CA-O 3.44Å; K72-V141 PolarHBondContact N-O 3.36Å; I115-V141 HydrophobicContact CG2-CG1 3.2Å; Q116-V141 CarbonylContact O-C 3.58Å; Q116-V141 VanDerWaalsContact O-CA 3.29Å; Q116-V141 WeakPolarHBondContact O-CA 3.39Å; L117-V141 HydrophobicContact CD1-CG2 4.27Å; I135-V141 HydrophobicContact CD1-CG2 3.62Å
142	I	86.9	Confident	79.4	Confident	9 Å²	9	41.5 Å²	41.5	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.9	177.6	-49.5	-178.4	0	0	0	109	K72 P75 Q116 T140 Y144	K72-I142 HydrophobicContact CB-CG1 4.35Å; K72-I142 HydrophobicContact CB-CG2 4.4Å; K72-I142 WeakPolarHBondContact O-CA 3.37Å; P75-I142 HydrophobicContact CG-CG2 4.1Å; Q116-I142 HydrophobicContact CB-CB 4.26Å; Q116-I142 PolarHBondContact N-O 3.05Å; Q116-I142 PolarHBondContact O-N 3.37Å; T140-I142 HydrophobicContact CG2-CG1 4.37Å; I142-Y144 HydrophobicContact CB-CE2 4.22Å; I142-Y144 HydrophobicContact CG2-CE2 3.91Å
143	L	85.9	Confident	79	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.7	176.1	-60.9	176.8	0	0	0	110.3	V71 K72 F73 I95 M105 I113 I114 I115	V71-L143 HydrophobicContact CG1-CD1 4.18Å; V71-L143 HydrophobicContact CG1-CG 4.44Å; K72-L143 PolarHBondContact O-N 3.06Å; F73-L143 CarbonylContact C-O 3.47Å; F73-L143 HydrophobicContact CD1-CD1 3.79Å; F73-L143 HydrophobicContact CE1-CD1 3.71Å; I95-L143 HydrophobicContact CD1-CD1 4.22Å; I95-L143 HydrophobicContact CD1-CD2 4.26Å; I95-L143 HydrophobicContact CG2-CD1 4.39Å; M105-L143 HydrophobicContact CE-CD1 4.02Å; I113-L143 HydrophobicContact CG2-CD2 4.07Å; I114-L143 WeakPolarHBondContact O-CA 3.46Å; I115-L143 HydrophobicContact CB-CD2 4.32Å; I115-L143 HydrophobicContact CD1-CD2 4.3Å; I115-L143 HydrophobicContact CG1-CD2 3.74Å; I115-L143 HydrophobicContact CG2-CD2 4.25Å
144	Y	80.2	Confident	78	Confident	33 Å²	33	50 Å²	50	13%	0.129	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.8	168.1	-59.9	-99.9	0	0	0	109.3	P75 I114 Q116 I142	P75-Y144 HydrophobicContact CG-CE1 3.65Å; P75-Y144 VanDerWaalsContact CG-OH 3.27Å; P75-Y144 WeakPolarHBondContact CG-OH 3.27Å; I114-Y144 HydrophobicContact CG2-CD2 4.33Å; I114-Y144 PolarHBondContact N-O 3.4Å; I114-Y144 PolarHBondContact O-N 3.33Å; Q116-Y144 HydrophobicContact CB-CD2 4.35Å; Q116-Y144 HydrophobicContact CB-CE2 3.7Å; Q116-Y144 PolarHBondContact OE1-OH 2.74Å; I142-Y144 HydrophobicContact CB-CE2 4.22Å; I142-Y144 HydrophobicContact CG2-CE2 3.91Å
145	H	73.4	Confident	76.7	Confident	56 Å²	56	52.2 Å²	52.2	26%	0.259	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.1	176.6	177.5	58.8	0	0	0	111.2	Y108 S112 A147	Y108-H145 WeakPolarHBondContact CB-CE1 3.23Å; Y108-H145 WeakPolarHBondContact CB-ND1 3.29Å; Y108-H145 AromaticContact CD1-CD2 3.55Å; Y108-H145 AromaticContact CD1-CE1 3.02Å; Y108-H145 WeakPolarHBondContact CD1-CE1 3.33Å; Y108-H145 AromaticContact CD1-CG 3.96Å; Y108-H145 AromaticContact CD1-ND1 3.66Å; Y108-H145 AromaticContact CD1-NE2 2.92Å; Y108-H145 WeakPolarHBondContact CD1-NE2 3.34Å; Y108-H145 HydrophobicContact CD2-CB 4.28Å; Y108-H145 AromaticContact CD2-CD2 3.71Å; Y108-H145 AromaticContact CD2-CE1 3.82Å; Y108-H145 AromaticContact CD2-CG 3.48Å; Y108-H145 VanDerWaalsContact CD2-CG 3.48Å; Y108-H145 AromaticContact CD2-ND1 3.56Å; Y108-H145 AromaticContact CD2-NE2 3.92Å; Y108-H145 AromaticContact CE1-CD2 3.34Å; Y108-H145 WeakPolarHBondContact CE1-CD2 3.45Å; Y108-H145 AromaticContact CE1-CE1 3.64Å; Y108-H145 AromaticContact CE1-NE2 3Å; Y108-H145 WeakPolarHBondContact CE1-NE2 3.42Å; Y108-H145 HydrophobicContact CE2-CB 4.35Å; Y108-H145 AromaticContact CE2-CD2 3.51Å; Y108-H145 AromaticContact CE2-CG 3.66Å; Y108-H145 AromaticContact CE2-NE2 3.98Å; Y108-H145 AromaticContact CG-CD2 3.7Å; Y108-H145 AromaticContact CG-CE1 3.09Å; Y108-H145 AromaticContact CG-CG 3.62Å; Y108-H145 AromaticContact CG-ND1 3.24Å; Y108-H145 AromaticContact CG-NE2 3.4Å; Y108-H145 AromaticContact CZ-CD2 3.3Å; Y108-H145 AromaticContact CZ-CG 3.95Å; Y108-H145 AromaticContact CZ-NE2 3.54Å; S112-H145 PolarHBondContact OG-CE1 2.83Å; S112-H145 VanDerWaalsContact OG-CE1 3.3Å; S112-H145 PolarHBondContact OG-ND1 3.37Å; H145-A147 WeakPolarHBondContact NE2-CA 3.48Å; H145-A147 VanDerWaalsContact NE2-CB 3.35Å; H145-A147 WeakPolarHBondContact NE2-CB 3.34Å; H145-A147 PolarHBondContact NE2-N 2.96Å; H145-A147 VanDerWaalsContact NE2-N 3.19Å
146	Y	68.4	Low	74.8	Confident	68 Å²	68	60.7 Å²	60.7	27%	0.267	33%	0.329	S	S	.	.			trans	-129	102.5	176.5	-69.3	-85.9	0	0	0	110.2	S112 I114 S148 I151 I191 Q194	S112-Y146 PolarHBondContact O-N 2.88Å; I114-Y146 HydrophobicContact CD1-CD2 4.06Å; I114-Y146 HydrophobicContact CD1-CE2 3.98Å; Y146-S148 PolarHBondContact O-N 3.21Å; Y146-I151 HydrophobicContact CD2-CD1 4.42Å; Y146-I191 HydrophobicContact CD1-CD1 3.44Å; Y146-I191 VanDerWaalsContact CD1-CD1 3.44Å; Y146-I191 HydrophobicContact CD2-CD1 3.59Å; Y146-I191 HydrophobicContact CE1-CD1 3.38Å; Y146-I191 HydrophobicContact CE2-CD1 3.5Å; Y146-I191 HydrophobicContact CE2-CG1 4.49Å; Y146-I191 HydrophobicContact CG-CD1 3.54Å; Y146-Q194 PolarHBondContact OH-NE2 3.18Å
147	A	55.3	Low	72.9	Confident	86 Å²	86	68 Å²	68	71%	0.711	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.1	-163.7	0	0	0	0	0	117.2	H145	H145-A147 WeakPolarHBondContact NE2-CA 3.48Å; H145-A147 VanDerWaalsContact NE2-CB 3.35Å; H145-A147 WeakPolarHBondContact NE2-CB 3.34Å; H145-A147 PolarHBondContact NE2-N 2.96Å; H145-A147 VanDerWaalsContact NE2-N 3.19Å
148	S	57.1	Low	71	Confident	111 Å²	111	68.5 Å²	68.5	78%	0.776	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	5	-171	58.2	0	0	0	0	115.2	Y146	Y146-S148 PolarHBondContact O-N 3.21Å
149	E	65.4	Low	69.3	Low	82 Å²	82	74 Å²	74	38%	0.383	38%	0.377	S	S	.	.			trans	-129.1	131.1	-172.7	-61.8	-171.4	-173.6	0	0	112.5	N189	E149-N189 WeakPolarHBondContact CB-ND2 2.88Å; E149-N189 PolarHBondContact OE2-ND2 2.88Å; E149-N189 PolarHBondContact OE2-OD1 2.89Å; E149-N189 VanDerWaalsContact OE2-OD1 3.14Å
150	K	75.4	Confident	67.7	Low	141 Å²	141	80.6 Å²	80.6	61%	0.613	40%	0.404	S	S	*	.			trans	-80.1	118.4	167.9	-65.8	178.1	177.8	-98.5	0	108.5	E111 N189	E111-K150 HydrophobicContact CG-CG 4.45Å; E111-K150 WeakPolarHBondContact OE1-CE 2.94Å; E111-K150 IonicContact OE1-NZ 2.87Å; E111-K150 PolarHBondContact OE1-NZ 3.29Å; E111-K150 IonicContact OE2-NZ 3.34Å; E111-K150 PolarHBondContact OE2-NZ 3Å; K150-N189 PolarHBondContact O-ND2 2.98Å
151	I	76.4	Confident	66.6	Low	0 Å²	0	84.2 Å²	84.2	0%	0	43%	0.426	C	S	.	.			trans	-103.4	-34.4	-172.8	-55.6	169.8	0	0	0	110.2	E111 I114 Y146 I191 L192	E111-I151 WeakPolarHBondContact O-CB 3.33Å; E111-I151 PolarHBondContact O-N 2.94Å; I114-I151 HydrophobicContact CD1-CD1 3.71Å; I114-I151 HydrophobicContact CD1-CG2 4.3Å; I114-I151 HydrophobicContact CG1-CD1 3.61Å; I114-I151 HydrophobicContact CG1-CG2 3.96Å; Y146-I151 HydrophobicContact CD2-CD1 4.42Å; I151-I191 HydrophobicContact CG1-CG2 4.42Å; I151-I191 HydrophobicContact CG2-CG2 4.45Å; I151-L192 HydrophobicContact CG2-CD1 4.33Å; I151-L192 HydrophobicContact CG2-CD2 3.86Å; I151-L192 HydrophobicContact CG2-CG 4.16Å
152	E	80.9	Confident	65.9	Low	8 Å²	8	85.9 Å²	85.9	4%	0.037	44%	0.435	C	S	.	.	S	Bend	trans	-127.4	145.4	-178.9	-46.9	-167.1	163.5	0	0	109.7	E111 P127 T128 R217	E111-E152 WeakPolarHBondContact CB-O 3.5Å; P127-E152 VanDerWaalsContact CA-OE1 3.31Å; P127-E152 WeakPolarHBondContact CA-OE1 3.33Å; T128-E152 WeakPolarHBondContact CB-OE2 2.94Å; T128-E152 WeakPolarHBondContact CG2-OE2 3.36Å; T128-E152 PolarHBondContact N-OE1 3.03Å; T128-E152 PolarHBondContact N-OE2 2.94Å; T128-E152 PolarHBondContact OG1-OE2 3.04Å; E152-R217 HydrophobicContact CG-CG 3.72Å; E152-R217 WeakPolarHBondContact OE1-CD 3.42Å
153	K	79	Confident	65.4	Low	98 Å²	98	88.6 Å²	88.6	43%	0.426	45%	0.447	S	S	.	.			trans	-87.2	122	170.9	-177.8	-178	179.7	-171.8	0	109	Q155 G216 D220	K153-Q155 PolarHBondContact O-N 3.29Å; K153-G216 PolarHBondContact N-O 2.8Å; K153-D220 IonicContact NZ-OD1 2.99Å; K153-D220 IonicContact NZ-OD2 2.85Å; K153-D220 PolarHBondContact NZ-OD2 3.34Å
154	V	65.4	Low	65	Low	88 Å²	88	90.5 Å²	90.5	53%	0.533	46%	0.461	S	S	.	.			trans	-63.5	117.3	173.4	-176.4	0	0	0	0	109.1	E111 E156	E111-V154 HydrophobicContact CB-CG2 4.33Å; V154-E156 HydrophobicContact CG1-CG 4.36Å
155	Q	58.7	Low	65	Low	63 Å²	63	94 Å²	94	29%	0.294	48%	0.477	S	S	.	.			trans	-93	107.2	172.4	-72.7	-175.5	-8.8	0	0	109.1	K153 Q157 H158 K213 Q214	K153-Q155 PolarHBondContact O-N 3.29Å; Q155-Q157 PolarHBondContact O-N 3.14Å; Q155-H158 PolarHBondContact OE1-CD2 3.48Å; Q155-H158 PolarHBondContact OE1-NE2 2.85Å; Q155-K213 PolarHBondContact NE2-O 3.13Å; Q155-Q214 PolarHBondContact OE1-O 3.15Å
156	E	47.3	Very low	65.5	Low	183 Å²	183	97.3 Å²	97.3	86%	0.855	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	3.4	-175.2	-66.4	-176.5	165.3	0	0	114.3	V154	V154-E156 HydrophobicContact CG1-CG 4.36Å
157	Q	44.3	Very low	66.3	Low	177 Å²	177	98.4 Å²	98.4	83%	0.827	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	35.6	-162.2	-71.3	-168.5	-24.4	0	0	117.4	Q155	Q155-Q157 PolarHBondContact O-N 3.14Å
158	H	43.5	Very low	68	Low	123 Å²	123	95 Å²	95	57%	0.569	47%	0.472	S	S	*	.	S	Bend	trans	-113.3	134.2	164.8	-67.1	-52.3	0	0	0	110.7	Q155 K160	Q155-H158 PolarHBondContact OE1-CD2 3.48Å; Q155-H158 PolarHBondContact OE1-NE2 2.85Å; H158-K160 PolarHBondContact O-N 2.92Å; H158-K160 VanDerWaalsContact O-N 3.15Å
159	D	47.1	Very low	69.6	Low	149 Å²	149	89.7 Å²	89.7	80%	0.797	44%	0.435	S	S	*	.			trans	-42.7	122.2	173.5	-97.9	-32.8	0	0	0	109.1	T161	D159-T161 PolarHBondContact O-N 3.11Å
160	K	54	Low	70.9	Confident	201 Å²	201	86.4 Å²	86.4	87%	0.874	42%	0.421	S	S	*	.			trans	-68	12.8	178.7	-65.6	-177.5	178.7	-177.2	0	112.8	H158 I162	H158-K160 PolarHBondContact O-N 2.92Å; H158-K160 VanDerWaalsContact O-N 3.15Å; K160-I162 PolarHBondContact O-N 3.31Å
161	T	64.7	Low	71.8	Confident	82 Å²	82	79.7 Å²	79.7	50%	0.503	39%	0.391	S	S	.	.			trans	-72.3	98.8	-179.2	-48.3	0	0	0	0	108.9	D159	D159-T161 PolarHBondContact O-N 3.11Å
162	I	74.6	Confident	72.6	Confident	35 Å²	35	82.6 Å²	82.6	18%	0.179	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-88.3	124.8	174.8	-64.3	176.8	0	0	0	108.2	P88 S89 T90 P131 K160	P88-I162 HydrophobicContact CB-CB 3.87Å; P88-I162 HydrophobicContact CB-CG2 3.78Å; P88-I162 WeakPolarHBondContact CB-O 3.47Å; S89-I162 WeakPolarHBondContact O-CD1 3.32Å; T90-I162 HydrophobicContact CG2-CD1 3.74Å; T90-I162 VanDerWaalsContact N-CD1 3.29Å; P131-I162 HydrophobicContact CB-CG2 4.04Å; K160-I162 PolarHBondContact O-N 3.31Å
163	H	76.3	Confident	73.2	Confident	66 Å²	66	82.2 Å²	82.2	31%	0.306	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-92.7	164.5	-176.2	-62.1	-71.6	0	0	0	111.4	S133 H167 Y168	S133-H163 PolarHBondContact OG-O 3.49Å; H163-H167 HydrophobicContact CB-CB 3.64Å; H163-Y168 HydrophobicContact CB-CE2 4.1Å; H163-Y168 PolarHBondContact N-OH 3.4Å; H163-Y168 VanDerWaalsContact O-CE2 3.27Å; H163-Y168 WeakPolarHBondContact O-CE2 3.25Å
164	P	77.9	Confident	73.8	Confident	51 Å²	51	78.2 Å²	78.2	33%	0.331	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-59.1	153.5	167.9	-23.3	33.9	0	0	0	112	D166 H167	P164-D166 PolarHBondContact O-N 3.46Å; P164-H167 WeakPolarHBondContact O-CB 3.33Å; P164-H167 PolarHBondContact O-N 3.13Å; P164-H167 PolarHBondContact O-ND1 2.77Å
165	K	80.9	Confident	74.8	Confident	107 Å²	107	74.7 Å²	74.7	47%	0.465	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-45	-40.1	-176.5	-174.3	179.5	-177.1	168.7	0	114.2	S133 H167 Y168	S133-K165 WeakPolarHBondContact O-CB 3.33Å; S133-K165 WeakPolarHBondContact O-CD 3.21Å; S133-K165 WeakPolarHBondContact O-CG 3.43Å; K165-H167 PolarHBondContact O-N 3.17Å; K165-H167 VanDerWaalsContact O-N 3.08Å; K165-Y168 PolarHBondContact O-N 3.06Å
166	D	83.7	Confident	75.8	Confident	125 Å²	125	76 Å²	76	67%	0.668	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-65.1	-14.2	-175.8	-61.3	-34.2	0	0	0	114.4	P164 K204	P164-D166 PolarHBondContact O-N 3.46Å; D166-K204 WeakPolarHBondContact O-CD 3.46Å; D166-K204 WeakPolarHBondContact O-CE 3.04Å; D166-K204 PolarHBondContact O-NZ 3.36Å
167	H	85.6	Confident	76.5	Confident	91 Å²	91	68 Å²	68	42%	0.421	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-85.1	-12.2	176.9	-65.6	70.6	0	0	0	112.6	H163 P164 K165 V203 K204	H163-H167 HydrophobicContact CB-CB 3.64Å; P164-H167 WeakPolarHBondContact O-CB 3.33Å; P164-H167 PolarHBondContact O-N 3.13Å; P164-H167 PolarHBondContact O-ND1 2.77Å; K165-H167 PolarHBondContact O-N 3.17Å; K165-H167 VanDerWaalsContact O-N 3.08Å; H167-V203 WeakPolarHBondContact O-CA 3.44Å; H167-K204 PolarHBondContact O-N 2.98Å
168	Y	89.9	Confident	77.4	Confident	13 Å²	13	60.2 Å²	60.2	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.7	-177.1	-62.7	-65.3	0	0	0	112.1	P131 H163 K165 Y201 G202 V203	P131-Y168 HydrophobicContact CB-CD2 4.3Å; P131-Y168 HydrophobicContact CB-CE2 3.83Å; P131-Y168 HydrophobicContact CG-CD2 4.13Å; P131-Y168 HydrophobicContact CG-CE1 4.12Å; P131-Y168 HydrophobicContact CG-CE2 3.7Å; H163-Y168 HydrophobicContact CB-CE2 4.1Å; H163-Y168 PolarHBondContact N-OH 3.4Å; H163-Y168 VanDerWaalsContact O-CE2 3.27Å; H163-Y168 WeakPolarHBondContact O-CE2 3.25Å; K165-Y168 PolarHBondContact O-N 3.06Å; Y168-Y201 AromaticContact CD1-CD2 3.65Å; Y168-Y201 HydrophobicContact CD1-CD2 3.65Å; Y168-Y201 HydrophobicContact CD1-CE2 4.2Å; Y168-Y201 AromaticContact CE1-CD2 3.81Å; Y168-Y201 HydrophobicContact CE1-CD2 3.81Å; Y168-Y201 AromaticContact CE1-CE2 3.87Å; Y168-Y201 HydrophobicContact CE1-CE2 3.87Å; Y168-Y201 HydrophobicContact CG-CD2 4.36Å; Y168-G202 CarbonylContact C-O 3.44Å; Y168-G202 WeakPolarHBondContact CA-O 3.02Å; Y168-V203 HydrophobicContact CD1-CG2 4.04Å; Y168-V203 HydrophobicContact CE1-CG2 3.64Å
169	S	91.7	Very high	78	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.6	163	-174	0	0	0	0	108.3	Y201 G202 V243 H247	S169-Y201 WeakPolarHBondContact O-CA 3.48Å; S169-G202 PolarHBondContact N-O 3.21Å; S169-G202 PolarHBondContact O-N 2.73Å; S169-V243 WeakPolarHBondContact CB-O 3.49Å; S169-V243 PolarHBondContact OG-O 3.4Å; S169-H247 PolarHBondContact OG-N 2.83Å
170	V	92.6	Very high	78.6	Confident	13 Å²	13	57 Å²	57	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.4	175.7	-178.4	0	0	0	0	109.7	F130 C134 C199 V200 H247 Q248	F130-V170 HydrophobicContact CE2-CG1 4.4Å; F130-V170 HydrophobicContact CZ-CG1 4.02Å; F130-V170 HydrophobicContact CZ-CG2 4.12Å; C134-V170 HydrophobicContact CB-CG2 3.95Å; V170-C199 WeakPolarHBondContact CG1-SG 3.47Å; V170-V200 CarbonylContact C-O 3.54Å; V170-V200 WeakPolarHBondContact CA-O 3.24Å; V170-H247 PolarHBondContact N-ND1 3.25Å; V170-H247 VanDerWaalsContact N-ND1 3.2Å; V170-H247 CarbonylContact O-C 3.56Å; V170-H247 VanDerWaalsContact O-CA 3.32Å; V170-H247 WeakPolarHBondContact O-CA 3.47Å; V170-H247 PolarHBondContact O-ND1 3.5Å; V170-H247 VanDerWaalsContact O-ND1 3.09Å; V170-Q248 PolarHBondContact O-N 3.39Å
171	F	94.1	Very high	78.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.3	179.8	63.2	-84.8	0	0	0	111.2	I173 V200 A211 L227 V243 L246 F251	F171-I173 HydrophobicContact CD2-CD1 4.14Å; F171-I173 HydrophobicContact CD2-CG1 4.39Å; F171-I173 HydrophobicContact CE2-CD1 3.91Å; F171-I173 HydrophobicContact CE2-CG1 4.11Å; F171-V200 HydrophobicContact CD2-CB 4.35Å; F171-V200 HydrophobicContact CE1-CB 4.12Å; F171-V200 HydrophobicContact CE1-CG1 3.87Å; F171-V200 HydrophobicContact CE2-CB 3.91Å; F171-V200 HydrophobicContact CE2-CG1 4.1Å; F171-V200 HydrophobicContact CE2-CG2 4.41Å; F171-V200 HydrophobicContact CZ-CB 3.79Å; F171-V200 HydrophobicContact CZ-CG1 3.51Å; F171-V200 PolarHBondContact N-O 2.71Å; F171-V200 PolarHBondContact O-N 3.06Å; F171-A211 HydrophobicContact CE1-CB 4.32Å; F171-A211 HydrophobicContact CZ-CB 4.26Å; F171-L227 HydrophobicContact CE2-CD1 4.42Å; F171-V243 HydrophobicContact CE1-CB 4.19Å; F171-V243 HydrophobicContact CE1-CG1 3.85Å; F171-V243 HydrophobicContact CZ-CG1 4.34Å; F171-L246 HydrophobicContact CB-CB 4.01Å; F171-L246 WeakPolarHBondContact CB-O 3.4Å; F171-L246 HydrophobicContact CD1-CB 4.25Å; F171-L246 HydrophobicContact CG-CB 4.1Å; F171-F251 HydrophobicContact CB-CE2 4.3Å; F171-F251 HydrophobicContact CD2-CD2 4.26Å
172	Y	93.5	Very high	78.2	Confident	61 Å²	61	53.6 Å²	53.6	24%	0.239	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.8	-171.2	-56.4	-89.4	0	0	0	111.4	F197 C199 K249 A250 F251	Y172-F197 HydrophobicContact CD1-CB 4.24Å; Y172-C199 HydrophobicContact CD1-CB 4.08Å; Y172-C199 HydrophobicContact CE1-CB 4.03Å; Y172-K249 PolarHBondContact N-O 2.82Å; Y172-A250 CarbonylContact O-C 3.55Å; Y172-A250 WeakPolarHBondContact O-CA 3.36Å; Y172-F251 PolarHBondContact O-N 3.41Å
173	I	93.5	Very high	77.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	171.5	-60.4	-62.3	0	0	0	109.2	F171 F197 L198 V200 L212 F218 L227 F251 I253	F171-I173 HydrophobicContact CD2-CD1 4.14Å; F171-I173 HydrophobicContact CD2-CG1 4.39Å; F171-I173 HydrophobicContact CE2-CD1 3.91Å; F171-I173 HydrophobicContact CE2-CG1 4.11Å; I173-F197 CarbonylContact O-C 3.57Å; I173-F197 WeakPolarHBondContact O-CA 3.32Å; I173-L198 PolarHBondContact N-O 3.48Å; I173-L198 PolarHBondContact O-N 2.8Å; I173-V200 HydrophobicContact CG1-CG2 3.98Å; I173-L212 HydrophobicContact CG1-CD2 4.05Å; I173-F218 HydrophobicContact CB-CE1 4.32Å; I173-F218 HydrophobicContact CB-CZ 4.06Å; I173-F218 HydrophobicContact CG1-CE1 4.44Å; I173-F218 HydrophobicContact CG1-CZ 4.04Å; I173-F218 HydrophobicContact CG2-CE1 3.92Å; I173-F218 HydrophobicContact CG2-CZ 4.18Å; I173-L227 HydrophobicContact CD1-CD1 4.08Å; I173-L227 HydrophobicContact CD1-CD2 3.78Å; I173-F251 WeakPolarHBondContact CA-O 3.34Å; I173-F251 HydrophobicContact CD1-CB 4.11Å; I173-I253 HydrophobicContact CG2-CD1 3.92Å; I173-I253 HydrophobicContact CG2-CG1 3.99Å
174	D	90.8	Very high	76.7	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.08	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.5	174.4	-165.7	-38.7	0	0	0	110.3	V176 K196 F197 F251 K252	D174-V176 PolarHBondContact O-N 3.03Å; D174-V176 WeakPolarHBondContact OD1-CA 3.13Å; D174-V176 WeakPolarHBondContact OD1-CB 3.16Å; D174-V176 PolarHBondContact OD1-N 3.05Å; D174-K196 WeakPolarHBondContact CA-O 3.32Å; D174-F197 HydrophobicContact CB-CD1 4.13Å; D174-F197 HydrophobicContact CB-CE1 3.99Å; D174-F251 PolarHBondContact N-O 3.35Å; D174-K252 HydrophobicContact CB-CG 3.66Å; D174-K252 VanDerWaalsContact CG-CE 3.42Å; D174-K252 WeakPolarHBondContact OD2-CE 3.29Å; D174-K252 IonicContact OD2-NZ 3.03Å
175	T	85.3	Confident	76.5	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.08	31%	0.312	C	S	.	.	S	Bend	trans	-69.4	-24.2	178.6	56.1	0	0	0	0	112.7	G177 F187 L192 F195 K196 L198	T175-G177 PolarHBondContact O-N 3.33Å; T175-F187 HydrophobicContact CG2-CZ 4.36Å; T175-L192 WeakPolarHBondContact CG2-O 3.27Å; T175-F195 VanDerWaalsContact CB-O 3.32Å; T175-F195 WeakPolarHBondContact CB-O 3.49Å; T175-F195 WeakPolarHBondContact CG2-O 3.4Å; T175-F195 PolarHBondContact OG1-O 3.32Å; T175-K196 PolarHBondContact N-O 2.88Å; T175-K196 PolarHBondContact OG1-O 2.92Å; T175-L198 HydrophobicContact CG2-CD1 3.18Å
176	V	79.6	Confident	76.6	Confident	91 Å²	91	57.3 Å²	57.3	55%	0.552	29%	0.291	S	S	*	.	S	Bend	trans	-81.5	96.2	168.6	-174.2	0	0	0	0	107.4	D174 K252	D174-V176 PolarHBondContact O-N 3.03Å; D174-V176 WeakPolarHBondContact OD1-CA 3.13Å; D174-V176 WeakPolarHBondContact OD1-CB 3.16Å; D174-V176 PolarHBondContact OD1-N 3.05Å; V176-K252 WeakPolarHBondContact O-CE 3.49Å; V176-K252 WeakPolarHBondContact O-CG 3.22Å
177	G	63.5	Low	76.7	Confident	16 Å²	16	51.7 Å²	51.7	17%	0.165	26%	0.261	C	S	.	.			trans	-54.8	155.9	178.2	0	0	0	0	0	112.8	T175 T181	T175-G177 PolarHBondContact O-N 3.33Å; G177-T181 WeakPolarHBondContact CA-OG1 3.18Å; G177-T181 PolarHBondContact O-OG1 3.14Å
178	G	62.5	Low	76.6	Confident	12 Å²	12	51.1 Å²	51.1	12%	0.124	26%	0.255	C	S	.	.			trans	-72.7	-154	-175.2	0	0	0	0	0	114.1	K180 T181 I253	G178-K180 PolarHBondContact O-N 3.28Å; G178-T181 PolarHBondContact N-OG1 2.92Å; G178-T181 PolarHBondContact O-N 3.49Å; G178-T181 PolarHBondContact O-OG1 2.95Å; G178-I253 PolarHBondContact N-O 3.31Å
179	L	55.4	Low	76.3	Confident	103 Å²	103	51.2 Å²	51.2	54%	0.539	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130.1	177	-154	90.9	0	0	0	109.9
180	K	60.2	Low	75.9	Confident	103 Å²	103	57.6 Å²	57.6	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	19.7	171.7	-53.7	164.5	-177.3	172.1	0	116.7	G178 L257	G178-K180 PolarHBondContact O-N 3.28Å; K180-L257 HydrophobicContact CD-CB 4.31Å; K180-L257 HydrophobicContact CD-CD1 3.81Å; K180-L257 VanDerWaalsContact CE-CD1 3.47Å
181	T	56.3	Low	75.5	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.037	29%	0.286	C	S	.	.			trans	-111.2	-0.8	176.5	60.2	0	0	0	0	114.6	G177 G178 T183 K184 I253 L255	G177-T181 WeakPolarHBondContact CA-OG1 3.18Å; G177-T181 PolarHBondContact O-OG1 3.14Å; G178-T181 PolarHBondContact N-OG1 2.92Å; G178-T181 PolarHBondContact O-N 3.49Å; G178-T181 PolarHBondContact O-OG1 2.95Å; T181-T183 PolarHBondContact O-N 3.29Å; T181-K184 PolarHBondContact O-N 2.85Å; T181-K184 VanDerWaalsContact O-N 3.14Å; T181-I253 VanDerWaalsContact CG2-O 3.27Å; T181-I253 WeakPolarHBondContact CG2-O 3.11Å; T181-L255 HydrophobicContact CG2-CB 4.28Å; T181-L255 HydrophobicContact CG2-CD1 4.05Å; T181-L255 HydrophobicContact CG2-CG 3.83Å
182	K	53.8	Low	75	Confident	205 Å²	205	58.1 Å²	58.1	89%	0.891	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22	-175.5	-69.1	-172.1	177.4	-175.8	0	114.5
183	T	52.6	Low	74.5	Confident	135 Å²	135	60.2 Å²	60.2	83%	0.828	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	1.8	-177.9	57.7	0	0	0	0	114.1	T181	T181-T183 PolarHBondContact O-N 3.29Å
184	K	66.4	Low	74	Confident	97 Å²	97	62.7 Å²	62.7	42%	0.422	31%	0.308	S	S	.	.	S	Bend	trans	-112.4	142.7	-178.1	-60.7	-151.3	-166.3	176.1	0	111.7	T181 L255	T181-K184 PolarHBondContact O-N 2.85Å; T181-K184 VanDerWaalsContact O-N 3.14Å; K184-L255 HydrophobicContact CB-CD1 4.14Å; K184-L255 HydrophobicContact CD-CD1 3.63Å; K184-L255 HydrophobicContact CG-CD1 4.28Å
185	E	74.9	Confident	73.8	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	31%	0.305	S	S	.	.			trans	-79.8	128.4	173.2	-61	-168.3	168.3	0	0	109.1	K190 L219	E185-K190 WeakPolarHBondContact OE1-CE 3.23Å; E185-K190 IonicContact OE1-NZ 3.69Å; E185-K190 PolarHBondContact OE1-NZ 3.19Å; E185-L219 HydrophobicContact CB-CD1 4.33Å; E185-L219 WeakPolarHBondContact O-CD1 3.49Å
186	L	82.4	Confident	74	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	33%	0.326	C	S	.	.			trans	-111.6	-21.2	-179.7	-61.6	176.4	0	0	0	112.3	L219 L222 I253 L255	L186-L219 PolarHBondContact O-N 2.86Å; L186-L222 HydrophobicContact CB-CD2 4.42Å; L186-L222 HydrophobicContact CD2-CD2 4.01Å; L186-I253 HydrophobicContact CD1-CB 4.18Å; L186-I253 HydrophobicContact CD1-CG2 4.41Å; L186-I253 HydrophobicContact CD2-CG2 4.16Å; L186-L255 HydrophobicContact CD2-CD1 4.1Å
187	F	86.8	Confident	74.6	Confident	7 Å²	7	64 Å²	64	3%	0.031	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-119.1	147	-173	-48.9	-71.3	0	0	0	108.8	T175 N189 L192 K193 L198 F218	T175-F187 HydrophobicContact CG2-CZ 4.36Å; F187-N189 PolarHBondContact O-N 2.96Å; F187-L192 HydrophobicContact CB-CB 4.46Å; F187-L192 HydrophobicContact CB-CD1 4.04Å; F187-K193 HydrophobicContact CD2-CG 4.13Å; F187-K193 HydrophobicContact CE2-CG 4.44Å; F187-L198 HydrophobicContact CD1-CD1 4.42Å; F187-L198 HydrophobicContact CD1-CD2 3.74Å; F187-L198 HydrophobicContact CE1-CD1 3.92Å; F187-L198 HydrophobicContact CE1-CD2 3.73Å; F187-L198 HydrophobicContact CE1-CG 4.44Å; F187-L198 HydrophobicContact CZ-CD1 4.31Å; F187-F218 AromaticContact CD1-CD1 3.95Å; F187-F218 HydrophobicContact CD1-CD1 3.95Å; F187-F218 AromaticContact CD1-CE1 3.98Å; F187-F218 HydrophobicContact CD1-CE1 3.98Å; F187-F218 AromaticContact CE1-CD1 3.88Å; F187-F218 HydrophobicContact CE1-CD1 3.88Å; F187-F218 AromaticContact CE1-CE1 3.49Å; F187-F218 HydrophobicContact CE1-CE1 3.49Å; F187-F218 VanDerWaalsContact CE1-CE1 3.49Å; F187-F218 HydrophobicContact CE1-CZ 4.26Å
188	R	83.4	Confident	76	Confident	80 Å²	80	63.2 Å²	63.2	30%	0.302	30%	0.297	S	S	.	.	S	Bend	trans	-62.1	-34	178.1	-67.3	-175.8	-175.8	-84.6	-3.6	112.9	G216 R217 F218 L219 D220	R188-G216 WeakPolarHBondContact CD-O 3.28Å; R188-G216 PolarHBondContact NE-O 2.9Å; R188-R217 PolarHBondContact N-O 3.32Å; R188-F218 PolarHBondContact NE-O 3.4Å; R188-F218 VanDerWaalsContact NE-O 3.16Å; R188-L219 HydrophobicContact CG-CD2 4.22Å; R188-D220 IonicContact CZ-OD1 3.24Å; R188-D220 IonicContact CZ-OD2 2.72Å; R188-D220 IonicContact NH1-OD2 2.72Å; R188-D220 IonicContact NH2-OD1 2.76Å; R188-D220 PolarHBondContact NH2-OD1 3.5Å; R188-D220 IonicContact NH2-OD2 3.05Å; R188-D220 PolarHBondContact NH2-OD2 3.11Å
189	N	83	Confident	77.4	Confident	15 Å²	15	62.7 Å²	62.7	8%	0.08	29%	0.291	C	S	.	.			trans	-126	132.9	-177.2	-166.8	-43.5	0	0	0	111	E149 K150 F187 I191 L192	E149-N189 WeakPolarHBondContact CB-ND2 2.88Å; E149-N189 PolarHBondContact OE2-ND2 2.88Å; E149-N189 PolarHBondContact OE2-OD1 2.89Å; E149-N189 VanDerWaalsContact OE2-OD1 3.14Å; K150-N189 PolarHBondContact O-ND2 2.98Å; F187-N189 PolarHBondContact O-N 2.96Å; N189-I191 HydrophobicContact CB-CG2 4.19Å; N189-I191 PolarHBondContact O-N 2.81Å; N189-I191 VanDerWaalsContact OD1-CB 3.26Å; N189-I191 WeakPolarHBondContact OD1-CB 3.44Å; N189-I191 WeakPolarHBondContact OD1-CG2 3.1Å; N189-I191 PolarHBondContact OD1-N 3.34Å; N189-L192 WeakPolarHBondContact O-CB 3.47Å; N189-L192 PolarHBondContact O-N 2.87Å
190	K	83.4	Confident	79.2	Confident	133 Å²	133	57.8 Å²	57.8	58%	0.578	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.8	-180	-66	180	-176.9	-178.2	0	112.8	E185 L192 K193	E185-K190 WeakPolarHBondContact OE1-CE 3.23Å; E185-K190 IonicContact OE1-NZ 3.69Å; E185-K190 PolarHBondContact OE1-NZ 3.19Å; K190-L192 PolarHBondContact O-N 2.96Å; K190-K193 VanDerWaalsContact O-CB 3.3Å; K190-K193 WeakPolarHBondContact O-CB 3.35Å; K190-K193 PolarHBondContact O-N 3.21Å
191	I	84	Confident	80.8	Confident	24 Å²	24	53.6 Å²	53.6	12%	0.123	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.5	177.3	-155.4	166.2	0	0	0	112.2	I114 Y146 I151 N189 K193 Q194	I114-I191 HydrophobicContact CD1-CD1 4.47Å; I114-I191 HydrophobicContact CD1-CG2 3.87Å; Y146-I191 HydrophobicContact CD1-CD1 3.44Å; Y146-I191 VanDerWaalsContact CD1-CD1 3.44Å; Y146-I191 HydrophobicContact CD2-CD1 3.59Å; Y146-I191 HydrophobicContact CE1-CD1 3.38Å; Y146-I191 HydrophobicContact CE2-CD1 3.5Å; Y146-I191 HydrophobicContact CE2-CG1 4.49Å; Y146-I191 HydrophobicContact CG-CD1 3.54Å; I151-I191 HydrophobicContact CG1-CG2 4.42Å; I151-I191 HydrophobicContact CG2-CG2 4.45Å; N189-I191 HydrophobicContact CB-CG2 4.19Å; N189-I191 PolarHBondContact O-N 2.81Å; N189-I191 VanDerWaalsContact OD1-CB 3.26Å; N189-I191 WeakPolarHBondContact OD1-CB 3.44Å; N189-I191 WeakPolarHBondContact OD1-CG2 3.1Å; N189-I191 PolarHBondContact OD1-N 3.34Å; I191-K193 PolarHBondContact O-N 3.14Å; I191-K193 VanDerWaalsContact O-N 3.16Å; I191-Q194 WeakPolarHBondContact O-CB 3.33Å; I191-Q194 WeakPolarHBondContact O-CG 3.4Å; I191-Q194 PolarHBondContact O-N 2.67Å
192	L	83.8	Confident	82.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.5	-24.4	178.6	-65	168.9	0	0	0	112.2	V125 I151 T175 F187 N189 K190 Q194 F195 L198 R217	V125-L192 HydrophobicContact CG2-CD2 4.47Å; I151-L192 HydrophobicContact CG2-CD1 4.33Å; I151-L192 HydrophobicContact CG2-CD2 3.86Å; I151-L192 HydrophobicContact CG2-CG 4.16Å; T175-L192 WeakPolarHBondContact CG2-O 3.27Å; F187-L192 HydrophobicContact CB-CB 4.46Å; F187-L192 HydrophobicContact CB-CD1 4.04Å; N189-L192 WeakPolarHBondContact O-CB 3.47Å; N189-L192 PolarHBondContact O-N 2.87Å; K190-L192 PolarHBondContact O-N 2.96Å; L192-Q194 PolarHBondContact O-N 3.14Å; L192-F195 PolarHBondContact O-N 2.96Å; L192-L198 HydrophobicContact CD1-CD2 4.46Å; L192-R217 HydrophobicContact CD1-CB 3.9Å; L192-R217 HydrophobicContact CD1-CG 4.3Å
193	K	83.1	Confident	84.1	Confident	104 Å²	104	45.7 Å²	45.7	45%	0.452	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-69.3	-11.7	176.5	-61.9	-176.4	176.8	-177.8	0	113.8	F187 K190 I191	F187-K193 HydrophobicContact CD2-CG 4.13Å; F187-K193 HydrophobicContact CE2-CG 4.44Å; K190-K193 VanDerWaalsContact O-CB 3.3Å; K190-K193 WeakPolarHBondContact O-CB 3.35Å; K190-K193 PolarHBondContact O-N 3.21Å; I191-K193 PolarHBondContact O-N 3.14Å; I191-K193 VanDerWaalsContact O-N 3.16Å
194	Q	83.6	Confident	85.9	Confident	53 Å²	53	44.3 Å²	44.3	25%	0.248	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73.8	-19.1	174.4	84.3	-171.9	-21.3	0	0	112.5	R122 Y146 I191 L192	R122-Q194 WeakPolarHBondContact CB-O 3.14Å; R122-Q194 WeakPolarHBondContact CD-O 3.36Å; Y146-Q194 PolarHBondContact OH-NE2 3.18Å; I191-Q194 WeakPolarHBondContact O-CB 3.33Å; I191-Q194 WeakPolarHBondContact O-CG 3.4Å; I191-Q194 PolarHBondContact O-N 2.67Å; L192-Q194 PolarHBondContact O-N 3.14Å
195	F	86.5	Confident	86.8	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	20%	0.195	C	C	.	.	S	Bend	trans	-90.8	155.4	177.4	-59.3	-83.8	0	0	0	110.7	I114 R122 V125 T175 L192	I114-F195 HydrophobicContact CD1-CE2 4.06Å; I114-F195 HydrophobicContact CD1-CZ 4.48Å; I114-F195 HydrophobicContact CG2-CE2 4Å; I114-F195 HydrophobicContact CG2-CZ 3.75Å; R122-F195 HydrophobicContact CB-CD1 3.89Å; R122-F195 HydrophobicContact CB-CE1 4.29Å; R122-F195 HydrophobicContact CG-CD1 4.27Å; R122-F195 HydrophobicContact CG-CE1 4.19Å; R122-F195 CarbonylContact O-C 3.52Å; R122-F195 VanDerWaalsContact O-CA 3.23Å; R122-F195 WeakPolarHBondContact O-CA 3.33Å; V125-F195 HydrophobicContact CB-CG 4.46Å; V125-F195 HydrophobicContact CG1-CB 4.3Å; V125-F195 HydrophobicContact CG1-CD1 3.29Å; V125-F195 HydrophobicContact CG1-CD2 3.75Å; V125-F195 HydrophobicContact CG1-CE1 3.39Å; V125-F195 HydrophobicContact CG1-CE2 3.83Å; V125-F195 HydrophobicContact CG1-CG 3.49Å; V125-F195 VanDerWaalsContact CG1-CG 3.49Å; V125-F195 HydrophobicContact CG1-CZ 3.68Å; V125-F195 HydrophobicContact CG2-CB 4.22Å; V125-F195 HydrophobicContact CG2-CD2 4.21Å; V125-F195 HydrophobicContact CG2-CG 4.11Å; T175-F195 VanDerWaalsContact CB-O 3.32Å; T175-F195 WeakPolarHBondContact CB-O 3.49Å; T175-F195 WeakPolarHBondContact CG2-O 3.4Å; T175-F195 PolarHBondContact OG1-O 3.32Å; L192-F195 PolarHBondContact O-N 2.96Å
196	K	88.8	Confident	87.6	Confident	117 Å²	117	38.6 Å²	38.6	51%	0.509	18%	0.183	S	C	.	.	S	Bend	trans	-78.2	-43.4	176.5	-174	-178.3	178.4	-175.2	0	111.8	R122 E123 D174 T175	R122-K196 PolarHBondContact O-N 2.75Å; E123-K196 WeakPolarHBondContact O-CB 3.42Å; E123-K196 PolarHBondContact O-N 2.82Å; D174-K196 WeakPolarHBondContact CA-O 3.32Å; T175-K196 PolarHBondContact N-O 2.88Å; T175-K196 PolarHBondContact OG1-O 2.92Å
197	F	91.5	Very high	88.1	Confident	26 Å²	26	39.7 Å²	39.7	11%	0.114	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.2	-177.1	-61.2	-66.9	0	0	0	113.3	E123 S124 V125 Y172 I173 D174 A250	E123-F197 PolarHBondContact O-N 2.78Å; S124-F197 VanDerWaalsContact CA-O 3.31Å; S124-F197 WeakPolarHBondContact CA-O 3.46Å; V125-F197 PolarHBondContact N-O 2.8Å; Y172-F197 HydrophobicContact CD1-CB 4.24Å; I173-F197 CarbonylContact O-C 3.57Å; I173-F197 WeakPolarHBondContact O-CA 3.32Å; D174-F197 HydrophobicContact CB-CD1 4.13Å; D174-F197 HydrophobicContact CB-CE1 3.99Å; F197-A250 HydrophobicContact CE1-CB 4.03Å; F197-A250 HydrophobicContact CZ-CB 4.42Å
198	L	92.6	Very high	88.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.6	158.9	-78.9	73.3	0	0	0	107.8	V125 I173 T175 F187 L192 R217 F218	V125-L198 HydrophobicContact CG2-CD1 4.4Å; V125-L198 HydrophobicContact CG2-CG 4.03Å; I173-L198 PolarHBondContact N-O 3.48Å; I173-L198 PolarHBondContact O-N 2.8Å; T175-L198 HydrophobicContact CG2-CD1 3.18Å; F187-L198 HydrophobicContact CD1-CD1 4.42Å; F187-L198 HydrophobicContact CD1-CD2 3.74Å; F187-L198 HydrophobicContact CE1-CD1 3.92Å; F187-L198 HydrophobicContact CE1-CD2 3.73Å; F187-L198 HydrophobicContact CE1-CG 4.44Å; F187-L198 HydrophobicContact CZ-CD1 4.31Å; L192-L198 HydrophobicContact CD1-CD2 4.46Å; L198-R217 HydrophobicContact CD2-CB 3.99Å; L198-F218 HydrophobicContact CB-CZ 4.13Å; L198-F218 HydrophobicContact CD2-CE1 4.27Å; L198-F218 HydrophobicContact CD2-CE2 4.04Å; L198-F218 HydrophobicContact CD2-CZ 3.76Å
199	C	93.1	Very high	88.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.1	174.4	-175.4	0	0	0	0	108.7	V125 V126 V170 Y172 R217	V125-C199 WeakPolarHBondContact O-CB 2.87Å; V125-C199 PolarHBondContact O-N 2.78Å; V126-C199 HydrophobicContact CG1-CB 3.7Å; V170-C199 WeakPolarHBondContact CG1-SG 3.47Å; Y172-C199 HydrophobicContact CD1-CB 4.08Å; Y172-C199 HydrophobicContact CE1-CB 4.03Å; C199-R217 PolarHBondContact O-NH2 2.94Å
200	V	93.4	Very high	89.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.5	-176.3	-177.6	0	0	0	0	108.4	V170 F171 I173 A211 L212 D215 F218	V170-V200 CarbonylContact C-O 3.54Å; V170-V200 WeakPolarHBondContact CA-O 3.24Å; F171-V200 HydrophobicContact CD2-CB 4.35Å; F171-V200 HydrophobicContact CE1-CB 4.12Å; F171-V200 HydrophobicContact CE1-CG1 3.87Å; F171-V200 HydrophobicContact CE2-CB 3.91Å; F171-V200 HydrophobicContact CE2-CG1 4.1Å; F171-V200 HydrophobicContact CE2-CG2 4.41Å; F171-V200 HydrophobicContact CZ-CB 3.79Å; F171-V200 HydrophobicContact CZ-CG1 3.51Å; F171-V200 PolarHBondContact N-O 2.71Å; F171-V200 PolarHBondContact O-N 3.06Å; I173-V200 HydrophobicContact CG1-CG2 3.98Å; V200-A211 HydrophobicContact CG1-CB 4.3Å; V200-L212 HydrophobicContact CG1-CD2 4.15Å; V200-L212 HydrophobicContact CG2-CD2 3.95Å; V200-D215 HydrophobicContact CG1-CB 4.26Å; V200-F218 HydrophobicContact CG2-CE2 3.68Å; V200-F218 HydrophobicContact CG2-CZ 3.83Å
201	Y	92.7	Very high	89.4	Confident	15 Å²	15	35.2 Å²	35.2	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.5	170.9	78.1	-73.3	0	0	0	110.6	P127 H129 F130 P131 Y168 S169 Q214	P127-Y201 HydrophobicContact CG-CD1 4.25Å; P127-Y201 HydrophobicContact CG-CE1 4.01Å; H129-Y201 AromaticContact CE1-CE1 3.57Å; H129-Y201 AromaticContact ND1-CE1 3.36Å; H129-Y201 WeakPolarHBondContact ND1-CE1 3.39Å; H129-Y201 AromaticContact ND1-CZ 3.57Å; H129-Y201 PolarHBondContact ND1-OH 3.17Å; H129-Y201 PolarHBondContact O-OH 2.67Å; H129-Y201 VanDerWaalsContact O-OH 3.1Å; F130-Y201 AromaticContact CD2-CD1 3.52Å; F130-Y201 HydrophobicContact CD2-CD1 3.52Å; F130-Y201 HydrophobicContact CD2-CE1 4.18Å; F130-Y201 HydrophobicContact CD2-CG 4.15Å; F130-Y201 AromaticContact CE2-CD1 3.95Å; F130-Y201 HydrophobicContact CE2-CD1 3.95Å; F130-Y201 HydrophobicContact CE2-CG 4.22Å; F130-Y201 HydrophobicContact CG-CD1 4.49Å; P131-Y201 HydrophobicContact CG-CD2 3.65Å; P131-Y201 HydrophobicContact CG-CE2 3.52Å; P131-Y201 HydrophobicContact CG-CG 4.26Å; Y168-Y201 AromaticContact CD1-CD2 3.65Å; Y168-Y201 HydrophobicContact CD1-CD2 3.65Å; Y168-Y201 HydrophobicContact CD1-CE2 4.2Å; Y168-Y201 AromaticContact CE1-CD2 3.81Å; Y168-Y201 HydrophobicContact CE1-CD2 3.81Å; Y168-Y201 AromaticContact CE1-CE2 3.87Å; Y168-Y201 HydrophobicContact CE1-CE2 3.87Å; Y168-Y201 HydrophobicContact CG-CD2 4.36Å; S169-Y201 WeakPolarHBondContact O-CA 3.48Å; Y201-Q214 PolarHBondContact OH-NE2 2.91Å
202	G	90.3	Very high	89.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.9	168	0	0	0	0	0	110.1	Y168 S169	Y168-G202 CarbonylContact C-O 3.44Å; Y168-G202 WeakPolarHBondContact CA-O 3.02Å; S169-G202 PolarHBondContact N-O 3.21Å; S169-G202 PolarHBondContact O-N 2.73Å
203	V	90.2	Very high	90	Very high	45 Å²	45	38.5 Å²	38.5	27%	0.273	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.3	170.5	-178.4	0	0	0	0	108.1	H167 Y168 G205 M206	H167-V203 WeakPolarHBondContact O-CA 3.44Å; Y168-V203 HydrophobicContact CD1-CG2 4.04Å; Y168-V203 HydrophobicContact CE1-CG2 3.64Å; V203-G205 PolarHBondContact O-N 2.79Å; V203-M206 WeakPolarHBondContact O-CB 3.14Å; V203-M206 PolarHBondContact O-N 3.08Å
204	K	89.6	Confident	90.2	Very high	106 Å²	106	35 Å²	35	46%	0.461	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135.7	176	-72.2	177.1	178.5	170.7	0	110.2	D166 H167 D244	D166-K204 WeakPolarHBondContact O-CD 3.46Å; D166-K204 WeakPolarHBondContact O-CE 3.04Å; D166-K204 PolarHBondContact O-NZ 3.36Å; H167-K204 PolarHBondContact O-N 2.98Å; K204-D244 WeakPolarHBondContact CA-OD1 3.01Å
205	G	86.2	Confident	90.5	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	-23.5	-169.7	0	0	0	0	0	114.1	V203 D244	V203-G205 PolarHBondContact O-N 2.79Å; G205-D244 PolarHBondContact N-OD1 3.16Å
206	M	90.7	Very high	90.5	Very high	41 Å²	41	32.3 Å²	32.3	20%	0.202	16%	0.16	C	C	.	.			trans	-71	147.9	177.1	-172.1	175.6	-74.3	0	0	111.8	V203 E210 A211 Q214 R242 V243	V203-M206 WeakPolarHBondContact O-CB 3.14Å; V203-M206 PolarHBondContact O-N 3.08Å; M206-E210 HydrophobicContact CG-CB 3.38Å; M206-E210 HydrophobicContact CG-CG 4.43Å; M206-E210 HydrophobicContact SD-CB 3.9Å; M206-A211 HydrophobicContact SD-CB 4Å; M206-Q214 VanDerWaalsContact CE-OE1 3.24Å; M206-Q214 PolarHBondContact SD-OE1 2.8Å; M206-R242 CarbonylContact O-C 3.5Å; M206-R242 VanDerWaalsContact O-CA 3.27Å; M206-R242 WeakPolarHBondContact O-CA 3.49Å; M206-V243 HydrophobicContact CB-CG2 4.4Å; M206-V243 PolarHBondContact O-N 3.38Å
207	T	93.3	Very high	90.6	Very high	29 Å²	29	26.8 Å²	26.8	18%	0.178	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-79.2	159.2	174.1	65.7	0	0	0	0	112.4	E209 E210 A211 T240 Q241	T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact O-N 3.4Å; T207-E210 WeakPolarHBondContact CB-OE2 3.41Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E210 PolarHBondContact N-OE2 2.88Å; T207-E210 PolarHBondContact O-N 2.92Å; T207-E210 WeakPolarHBondContact OG1-CB 3.42Å; T207-E210 WeakPolarHBondContact OG1-CG 3.34Å; T207-E210 PolarHBondContact OG1-N 3.49Å; T207-E210 PolarHBondContact OG1-OE2 3.06Å; T207-A211 PolarHBondContact O-N 3.06Å; T207-T240 WeakPolarHBondContact CG2-O 3.41Å; T207-Q241 CarbonylContact C-O 3.57Å; T207-Q241 VanDerWaalsContact CA-O 3.29Å; T207-Q241 WeakPolarHBondContact CA-O 3.44Å
208	V	91.9	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-41.8	174.2	169.4	0	0	0	0	111.8	A211 L212 F225 L227 T237 R239 Q241 V243 L246	V208-A211 PolarHBondContact O-N 2.85Å; V208-L212 HydrophobicContact CG1-CD1 4.09Å; V208-L212 HydrophobicContact CG1-CG 4.45Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.06Å; V208-F225 HydrophobicContact CG1-CE2 3.93Å; V208-F225 HydrophobicContact CG1-CZ 4.27Å; V208-L227 HydrophobicContact CG1-CD1 3.54Å; V208-L227 HydrophobicContact CG1-CG 3.95Å; V208-L227 HydrophobicContact CG2-CD1 4.17Å; V208-T237 HydrophobicContact CG2-CG2 4.19Å; V208-R239 WeakPolarHBondContact CB-O 3.22Å; V208-R239 PolarHBondContact N-O 2.81Å; V208-Q241 PolarHBondContact N-O 3.37Å; V208-V243 HydrophobicContact CG2-CG1 4.25Å; V208-L246 HydrophobicContact CG2-CD1 3.39Å
209	E	91.3	Very high	90.1	Very high	41 Å²	41	28.7 Å²	28.7	19%	0.192	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-46.9	178.2	179.5	-179.1	-169.5	0	0	112.4	T207 A211 L212 K213 R239	T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact O-N 3.4Å; E209-A211 VanDerWaalsContact C-N 3.35Å; E209-L212 PolarHBondContact O-N 3.3Å; E209-K213 HydrophobicContact CG-CD 4.19Å; E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 WeakPolarHBondContact O-CG 3.45Å; E209-K213 PolarHBondContact O-N 3.29Å; E209-K213 WeakPolarHBondContact OE1-CE 3.48Å; E209-K213 IonicContact OE1-NZ 3.66Å; E209-K213 PolarHBondContact OE1-NZ 3.46Å; E209-R239 HydrophobicContact CB-CB 4.33Å; E209-R239 PolarHBondContact N-O 2.94Å; E209-R239 IonicContact OE1-NH1 2.72Å; E209-R239 PolarHBondContact OE1-NH1 2.82Å; E209-R239 IonicContact OE2-CZ 3.19Å; E209-R239 IonicContact OE2-NH1 2.8Å; E209-R239 PolarHBondContact OE2-NH1 2.94Å
210	E	90.4	Very high	89.3	Confident	99 Å²	99	31.5 Å²	31.5	46%	0.463	16%	0.162	S	C	.	.	H	α-helix	trans	-62.2	-43.2	178.8	-72.4	161	154.7	0	0	111.1	M206 T207 L212 K213 Q214	M206-E210 HydrophobicContact CG-CB 3.38Å; M206-E210 HydrophobicContact CG-CG 4.43Å; M206-E210 HydrophobicContact SD-CB 3.9Å; T207-E210 WeakPolarHBondContact CB-OE2 3.41Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E210 PolarHBondContact N-OE2 2.88Å; T207-E210 PolarHBondContact O-N 2.92Å; T207-E210 WeakPolarHBondContact OG1-CB 3.42Å; T207-E210 WeakPolarHBondContact OG1-CG 3.34Å; T207-E210 PolarHBondContact OG1-N 3.49Å; T207-E210 PolarHBondContact OG1-OE2 3.06Å; E210-L212 PolarHBondContact O-N 3.03Å; E210-K213 PolarHBondContact O-N 2.96Å; E210-Q214 WeakPolarHBondContact O-CB 3.21Å; E210-Q214 PolarHBondContact O-N 2.81Å
211	A	90.9	Very high	88.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-42.4	178.1	0	0	0	0	0	112.5	F171 V200 M206 T207 V208 E209 Q214 D215 V243	F171-A211 HydrophobicContact CE1-CB 4.32Å; F171-A211 HydrophobicContact CZ-CB 4.26Å; V200-A211 HydrophobicContact CG1-CB 4.3Å; M206-A211 HydrophobicContact SD-CB 4Å; T207-A211 PolarHBondContact O-N 3.06Å; V208-A211 PolarHBondContact O-N 2.85Å; E209-A211 VanDerWaalsContact C-N 3.35Å; A211-Q214 PolarHBondContact O-N 3.39Å; A211-D215 WeakPolarHBondContact O-CB 3.48Å; A211-D215 PolarHBondContact O-N 3.44Å; A211-V243 HydrophobicContact CB-CG1 3.9Å
212	L	91.5	Very high	87.5	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-33	176.6	-66.9	179.2	0	0	0	112.8	I173 V200 V208 E209 E210 F218 L222 F225 I253	I173-L212 HydrophobicContact CG1-CD2 4.05Å; V200-L212 HydrophobicContact CG1-CD2 4.15Å; V200-L212 HydrophobicContact CG2-CD2 3.95Å; V208-L212 HydrophobicContact CG1-CD1 4.09Å; V208-L212 HydrophobicContact CG1-CG 4.45Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.06Å; E209-L212 PolarHBondContact O-N 3.3Å; E210-L212 PolarHBondContact O-N 3.03Å; L212-F218 HydrophobicContact CB-CD2 4.27Å; L212-F218 HydrophobicContact CB-CG 4.41Å; L212-F218 HydrophobicContact CD2-CD1 4.27Å; L212-F218 HydrophobicContact CD2-CD2 3.85Å; L212-F218 HydrophobicContact CD2-CE1 3.92Å; L212-F218 HydrophobicContact CD2-CE2 3.5Å; L212-F218 HydrophobicContact CD2-CG 4.24Å; L212-F218 HydrophobicContact CD2-CZ 3.54Å; L212-L222 HydrophobicContact CD1-CD1 4.28Å; L212-F225 HydrophobicContact CD1-CE2 3.68Å; L212-F225 HydrophobicContact CD1-CZ 3.67Å; L212-I253 HydrophobicContact CD1-CD1 4.5Å
213	K	88.1	Confident	86.9	Confident	90 Å²	90	39.4 Å²	39.4	39%	0.391	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-46.1	172.3	-76.9	178.4	-175	171.8	0	110.7	Q155 E209 E210 D215 G216	Q155-K213 PolarHBondContact NE2-O 3.13Å; E209-K213 HydrophobicContact CG-CD 4.19Å; E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 WeakPolarHBondContact O-CG 3.45Å; E209-K213 PolarHBondContact O-N 3.29Å; E209-K213 WeakPolarHBondContact OE1-CE 3.48Å; E209-K213 IonicContact OE1-NZ 3.66Å; E209-K213 PolarHBondContact OE1-NZ 3.46Å; E210-K213 PolarHBondContact O-N 2.96Å; K213-D215 VanDerWaalsContact C-N 3.29Å; K213-D215 PolarHBondContact O-N 3.22Å; K213-G216 PolarHBondContact O-N 2.86Å
214	Q	87.8	Confident	86.6	Confident	30 Å²	30	42.8 Å²	42.8	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-40.4	178.5	-177	-178.3	-14.9	0	0	111.8	H129 Q155 Y201 M206 E210 A211 G216	H129-Q214 PolarHBondContact CE1-O 3.32Å; H129-Q214 PolarHBondContact NE2-O 3.48Å; H129-Q214 VanDerWaalsContact NE2-O 3.15Å; Q155-Q214 PolarHBondContact OE1-O 3.15Å; Y201-Q214 PolarHBondContact OH-NE2 2.91Å; M206-Q214 VanDerWaalsContact CE-OE1 3.24Å; M206-Q214 PolarHBondContact SD-OE1 2.8Å; E210-Q214 WeakPolarHBondContact O-CB 3.21Å; E210-Q214 PolarHBondContact O-N 2.81Å; A211-Q214 PolarHBondContact O-N 3.39Å; Q214-G216 PolarHBondContact O-N 2.86Å; Q214-G216 VanDerWaalsContact O-N 3.09Å
215	D	89.6	Confident	86.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-178.3	-171.1	-87.9	0	0	0	114.5	H129 V200 A211 K213 R217 F218	H129-D215 PolarHBondContact NE2-O 3.19Å; V200-D215 HydrophobicContact CG1-CB 4.26Å; A211-D215 WeakPolarHBondContact O-CB 3.48Å; A211-D215 PolarHBondContact O-N 3.44Å; K213-D215 VanDerWaalsContact C-N 3.29Å; K213-D215 PolarHBondContact O-N 3.22Å; D215-R217 VanDerWaalsContact CG-NH2 3.27Å; D215-R217 PolarHBondContact O-N 3.23Å; D215-R217 WeakPolarHBondContact OD1-CB 3.36Å; D215-R217 IonicContact OD1-CZ 2.65Å; D215-R217 VanDerWaalsContact OD1-CZ 3.28Å; D215-R217 IonicContact OD1-NE 3.42Å; D215-R217 PolarHBondContact OD1-NE 2.97Å; D215-R217 IonicContact OD1-NH2 3.6Å; D215-R217 PolarHBondContact OD1-NH2 3.48Å; D215-R217 IonicContact OD2-CZ 2.77Å; D215-R217 IonicContact OD2-NE 3.53Å; D215-R217 IonicContact OD2-NH2 2.71Å; D215-R217 PolarHBondContact OD2-NH2 3.21Å; D215-F218 HydrophobicContact CB-CD2 4.04Å; D215-F218 HydrophobicContact CB-CE2 4.11Å; D215-F218 VanDerWaalsContact OD1-CE2 3.32Å; D215-F218 WeakPolarHBondContact OD1-CE2 3.23Å
216	G	86.4	Confident	86.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	72.5	-16.7	169.7	0	0	0	0	0	116.2	K153 R188 K213 Q214	K153-G216 PolarHBondContact N-O 2.8Å; R188-G216 WeakPolarHBondContact CD-O 3.28Å; R188-G216 PolarHBondContact NE-O 2.9Å; K213-G216 PolarHBondContact O-N 2.86Å; Q214-G216 PolarHBondContact O-N 2.86Å; Q214-G216 VanDerWaalsContact O-N 3.09Å
217	R	91.1	Very high	86.8	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.212	C	C	.	.	S	Bend	trans	-83.6	-22.7	177.5	-67.7	173.8	-60.7	173	7.1	113.9	V125 V126 E152 R188 L192 L198 C199 D215	V125-R217 PolarHBondContact O-NH1 3.49Å; V126-R217 PolarHBondContact O-NH1 3.33Å; E152-R217 HydrophobicContact CG-CG 3.72Å; E152-R217 WeakPolarHBondContact OE1-CD 3.42Å; R188-R217 PolarHBondContact N-O 3.32Å; L192-R217 HydrophobicContact CD1-CB 3.9Å; L192-R217 HydrophobicContact CD1-CG 4.3Å; L198-R217 HydrophobicContact CD2-CB 3.99Å; C199-R217 PolarHBondContact O-NH2 2.94Å; D215-R217 VanDerWaalsContact CG-NH2 3.27Å; D215-R217 PolarHBondContact O-N 3.23Å; D215-R217 WeakPolarHBondContact OD1-CB 3.36Å; D215-R217 IonicContact OD1-CZ 2.65Å; D215-R217 VanDerWaalsContact OD1-CZ 3.28Å; D215-R217 IonicContact OD1-NE 3.42Å; D215-R217 PolarHBondContact OD1-NE 2.97Å; D215-R217 IonicContact OD1-NH2 3.6Å; D215-R217 PolarHBondContact OD1-NH2 3.48Å; D215-R217 IonicContact OD2-CZ 2.77Å; D215-R217 IonicContact OD2-NE 3.53Å; D215-R217 IonicContact OD2-NH2 2.71Å; D215-R217 PolarHBondContact OD2-NH2 3.21Å
218	F	89.9	Confident	86.7	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-84.4	158.5	176.5	-59.1	-91.8	0	0	0	111.5	I173 F187 R188 L198 V200 L212 D215 L222 I253	I173-F218 HydrophobicContact CB-CE1 4.32Å; I173-F218 HydrophobicContact CB-CZ 4.06Å; I173-F218 HydrophobicContact CG1-CE1 4.44Å; I173-F218 HydrophobicContact CG1-CZ 4.04Å; I173-F218 HydrophobicContact CG2-CE1 3.92Å; I173-F218 HydrophobicContact CG2-CZ 4.18Å; F187-F218 AromaticContact CD1-CD1 3.95Å; F187-F218 HydrophobicContact CD1-CD1 3.95Å; F187-F218 AromaticContact CD1-CE1 3.98Å; F187-F218 HydrophobicContact CD1-CE1 3.98Å; F187-F218 AromaticContact CE1-CD1 3.88Å; F187-F218 HydrophobicContact CE1-CD1 3.88Å; F187-F218 AromaticContact CE1-CE1 3.49Å; F187-F218 HydrophobicContact CE1-CE1 3.49Å; F187-F218 VanDerWaalsContact CE1-CE1 3.49Å; F187-F218 HydrophobicContact CE1-CZ 4.26Å; R188-F218 PolarHBondContact NE-O 3.4Å; R188-F218 VanDerWaalsContact NE-O 3.16Å; L198-F218 HydrophobicContact CB-CZ 4.13Å; L198-F218 HydrophobicContact CD2-CE1 4.27Å; L198-F218 HydrophobicContact CD2-CE2 4.04Å; L198-F218 HydrophobicContact CD2-CZ 3.76Å; V200-F218 HydrophobicContact CG2-CE2 3.68Å; V200-F218 HydrophobicContact CG2-CZ 3.83Å; L212-F218 HydrophobicContact CB-CD2 4.27Å; L212-F218 HydrophobicContact CB-CG 4.41Å; L212-F218 HydrophobicContact CD2-CD1 4.27Å; L212-F218 HydrophobicContact CD2-CD2 3.85Å; L212-F218 HydrophobicContact CD2-CE1 3.92Å; L212-F218 HydrophobicContact CD2-CE2 3.5Å; L212-F218 HydrophobicContact CD2-CG 4.24Å; L212-F218 HydrophobicContact CD2-CZ 3.54Å; D215-F218 HydrophobicContact CB-CD2 4.04Å; D215-F218 HydrophobicContact CB-CE2 4.11Å; D215-F218 VanDerWaalsContact OD1-CE2 3.32Å; D215-F218 WeakPolarHBondContact OD1-CE2 3.23Å; F218-L222 HydrophobicContact CB-CD1 4.33Å; F218-L222 HydrophobicContact CD1-CD1 4.48Å; F218-I253 HydrophobicContact CD1-CD1 4.09Å; F218-I253 HydrophobicContact CE1-CD1 3.89Å
219	L	83.9	Confident	86.7	Confident	62 Å²	62	38.5 Å²	38.5	33%	0.325	21%	0.206	S	C	.	.			trans	-67.2	139.1	172.3	-67.8	175	0	0	0	110.9	E185 L186 R188 S221 L222	E185-L219 HydrophobicContact CB-CD1 4.33Å; E185-L219 WeakPolarHBondContact O-CD1 3.49Å; L186-L219 PolarHBondContact O-N 2.86Å; R188-L219 HydrophobicContact CG-CD2 4.22Å; L219-S221 PolarHBondContact O-N 2.91Å; L219-S221 VanDerWaalsContact O-N 3.08Å; L219-L222 HydrophobicContact CB-CD2 4.28Å
220	D	75.4	Confident	86.5	Confident	60 Å²	60	38.9 Å²	38.9	32%	0.321	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.8	-178.2	-74.9	-37.7	0	0	0	113.1	K153 R188	K153-D220 IonicContact NZ-OD1 2.99Å; K153-D220 IonicContact NZ-OD2 2.85Å; K153-D220 PolarHBondContact NZ-OD2 3.34Å; R188-D220 IonicContact CZ-OD1 3.24Å; R188-D220 IonicContact CZ-OD2 2.72Å; R188-D220 IonicContact NH1-OD2 2.72Å; R188-D220 IonicContact NH2-OD1 2.76Å; R188-D220 PolarHBondContact NH2-OD1 3.5Å; R188-D220 IonicContact NH2-OD2 3.05Å; R188-D220 PolarHBondContact NH2-OD2 3.11Å
221	S	73.6	Confident	86.4	Confident	110 Å²	110	43 Å²	43	77%	0.769	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	71.1	-175.9	-64.4	0	0	0	0	111.6	L219 G223	L219-S221 PolarHBondContact O-N 2.91Å; L219-S221 VanDerWaalsContact O-N 3.08Å; S221-G223 PolarHBondContact O-N 2.9Å
222	L	74.8	Confident	86.3	Confident	26 Å²	26	46.8 Å²	46.8	14%	0.136	25%	0.249	C	C	.	.			trans	-67.1	-8.5	170.2	-68.3	174.4	0	0	0	113.3	L186 L212 F218 L219 F225 I253	L186-L222 HydrophobicContact CB-CD2 4.42Å; L186-L222 HydrophobicContact CD2-CD2 4.01Å; L212-L222 HydrophobicContact CD1-CD1 4.28Å; F218-L222 HydrophobicContact CB-CD1 4.33Å; F218-L222 HydrophobicContact CD1-CD1 4.48Å; L219-L222 HydrophobicContact CB-CD2 4.28Å; L222-F225 HydrophobicContact CB-CD1 3.77Å; L222-F225 HydrophobicContact CB-CE1 4.06Å; L222-F225 HydrophobicContact CD1-CD1 4.48Å; L222-F225 HydrophobicContact CD1-CE1 4.28Å; L222-I253 HydrophobicContact CD1-CD1 4.34Å
223	G	78.6	Confident	85.9	Confident	45 Å²	45	49.6 Å²	49.6	46%	0.464	27%	0.267	S	S	.	.			trans	68	-149.2	-177.1	0	0	0	0	0	112.3	S221 F225	S221-G223 PolarHBondContact O-N 2.9Å; G223-F225 WeakPolarHBondContact O-CD1 3.34Å
224	E	83.4	Confident	85.6	Confident	117 Å²	117	52.3 Å²	52.3	55%	0.547	29%	0.286	S	S	.	.	S	Bend	trans	-73.8	125.2	169.7	-73.5	-58	134.8	0	0	110.1	R239 P256	E224-R239 IonicContact OE1-CZ 3.84Å; E224-R239 IonicContact OE1-NE 3.93Å; E224-R239 PolarHBondContact OE1-NE 2.82Å; E224-R239 IonicContact OE1-NH2 3.44Å; E224-R239 PolarHBondContact OE1-NH2 3.08Å; E224-R239 IonicContact OE2-NE 2.8Å; E224-R239 PolarHBondContact OE2-NE 2.82Å; E224-P256 HydrophobicContact CB-CG 4.23Å; E224-P256 WeakPolarHBondContact O-CD 3.45Å
225	F	89	Confident	85.6	Confident	10 Å²	10	57.6 Å²	57.6	4%	0.044	31%	0.305	C	S	.	.			trans	-146.8	161.3	177.7	71.9	-89.8	0	0	0	111.9	V208 L212 L222 G223 L227 R239 I253 R254 L255	V208-F225 HydrophobicContact CG1-CE2 3.93Å; V208-F225 HydrophobicContact CG1-CZ 4.27Å; L212-F225 HydrophobicContact CD1-CE2 3.68Å; L212-F225 HydrophobicContact CD1-CZ 3.67Å; L222-F225 HydrophobicContact CB-CD1 3.77Å; L222-F225 HydrophobicContact CB-CE1 4.06Å; L222-F225 HydrophobicContact CD1-CD1 4.48Å; L222-F225 HydrophobicContact CD1-CE1 4.28Å; G223-F225 WeakPolarHBondContact O-CD1 3.34Å; F225-L227 HydrophobicContact CD2-CD2 4.37Å; F225-L227 HydrophobicContact CE2-CD2 4.25Å; F225-R239 HydrophobicContact CD1-CB 4.17Å; F225-R239 HydrophobicContact CD2-CB 4.27Å; F225-R239 HydrophobicContact CE1-CB 3.73Å; F225-R239 HydrophobicContact CE2-CB 3.84Å; F225-R239 HydrophobicContact CG-CB 4.41Å; F225-R239 HydrophobicContact CZ-CB 3.53Å; F225-I253 HydrophobicContact CB-CG2 4.18Å; F225-I253 HydrophobicContact CD2-CG2 4.3Å; F225-I253 HydrophobicContact CG-CG2 4.46Å; F225-R254 WeakPolarHBondContact CA-O 3.35Å; F225-R254 WeakPolarHBondContact CB-O 3.32Å; F225-L255 HydrophobicContact CB-CD2 3.69Å
226	K	90.9	Very high	85.6	Confident	99 Å²	99	61.2 Å²	61.2	43%	0.43	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.1	172	-60.4	-177	-177.7	-176.7	0	109.2	L236 T237 V238 R254	K226-L236 HydrophobicContact CD-CB 4.34Å; K226-L236 HydrophobicContact CD-CD1 4.02Å; K226-T237 CarbonylContact C-O 3.51Å; K226-T237 WeakPolarHBondContact CA-O 3.42Å; K226-V238 HydrophobicContact CD-CG1 4.4Å; K226-V238 HydrophobicContact CG-CG1 4.43Å; K226-R254 PolarHBondContact N-O 3.05Å; K226-R254 PolarHBondContact O-N 3.27Å
227	L	91.8	Very high	85.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.7	168	-60.3	-172.9	0	0	0	108.7	F171 I173 V208 F225 L236 T237 L246 F251 K252 I253	F171-L227 HydrophobicContact CE2-CD1 4.42Å; I173-L227 HydrophobicContact CD1-CD1 4.08Å; I173-L227 HydrophobicContact CD1-CD2 3.78Å; V208-L227 HydrophobicContact CG1-CD1 3.54Å; V208-L227 HydrophobicContact CG1-CG 3.95Å; V208-L227 HydrophobicContact CG2-CD1 4.17Å; F225-L227 HydrophobicContact CD2-CD2 4.37Å; F225-L227 HydrophobicContact CE2-CD2 4.25Å; L227-L236 CarbonylContact O-C 3.59Å; L227-L236 WeakPolarHBondContact O-CA 2.91Å; L227-T237 PolarHBondContact N-O 2.98Å; L227-T237 PolarHBondContact O-N 3.06Å; L227-L246 HydrophobicContact CD1-CD1 4.36Å; L227-F251 HydrophobicContact CB-CB 3.93Å; L227-F251 HydrophobicContact CB-CD1 3.99Å; L227-F251 HydrophobicContact CB-CG 4.09Å; L227-F251 HydrophobicContact CD1-CB 4.27Å; L227-F251 HydrophobicContact CD1-CD2 4.39Å; L227-F251 HydrophobicContact CD1-CG 4.18Å; L227-F251 HydrophobicContact CD2-CB 4.5Å; L227-F251 HydrophobicContact CG-CB 4.47Å; L227-K252 WeakPolarHBondContact CA-O 3.44Å; L227-I253 HydrophobicContact CD2-CG1 3.73Å
228	S	91.3	Very high	85.7	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	166.9	60.1	0	0	0	0	110.1	F251 K252 R254	S228-F251 CarbonylContact O-C 3.51Å; S228-F251 VanDerWaalsContact O-CA 3.28Å; S228-F251 WeakPolarHBondContact O-CA 3.44Å; S228-K252 PolarHBondContact N-O 2.91Å; S228-K252 PolarHBondContact O-N 2.8Å; S228-K252 WeakPolarHBondContact OG-CB 3.34Å; S228-K252 PolarHBondContact OG-O 2.81Å; S228-R254 PolarHBondContact OG-NE 2.84Å; S228-R254 PolarHBondContact OG-NH2 2.94Å
229	D	90.4	Very high	85.7	Confident	9 Å²	9	66.6 Å²	66.6	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	136	175.8	-170.5	-51.3	0	0	0	110.5	E231 N232 P233 R235 F251	D229-E231 WeakPolarHBondContact OD1-CA 3.31Å; D229-E231 WeakPolarHBondContact OD1-CB 3.43Å; D229-E231 PolarHBondContact OD1-N 2.77Å; D229-N232 WeakPolarHBondContact CB-O 3.36Å; D229-N232 CarbonylContact O-C 3.47Å; D229-N232 PolarHBondContact OD1-N 3.21Å; D229-N232 VanDerWaalsContact OD1-N 3.14Å; D229-P233 VanDerWaalsContact O-CA 3.25Å; D229-P233 WeakPolarHBondContact O-CA 3.41Å; D229-R235 HydrophobicContact CB-CB 4.17Å; D229-R235 PolarHBondContact N-O 3.02Å; D229-R235 VanDerWaalsContact N-O 3.14Å; D229-F251 HydrophobicContact CB-CD1 4.17Å; D229-F251 HydrophobicContact CB-CE1 4.09Å
230	N	87.1	Confident	85.9	Confident	48 Å²	48	68 Å²	68	26%	0.257	36%	0.362	S	S	.	.	S	Bend	trans	-72.4	-31.3	-179	-79.6	1.6	0	0	0	112.7	A250 K252	N230-A250 HydrophobicContact CB-CB 4.13Å; N230-A250 WeakPolarHBondContact CB-O 3.36Å; N230-A250 PolarHBondContact N-O 2.82Å; N230-K252 WeakPolarHBondContact OD1-CG 3.35Å; N230-K252 PolarHBondContact OD1-N 2.85Å
231	E	89.4	Confident	86.8	Confident	186 Å²	186	69.8 Å²	69.8	87%	0.869	37%	0.369	S	S	*	.	S	Bend	trans	-79.4	-36.5	176.1	-61.8	-176.3	172.3	0	0	110.9	D229	D229-E231 WeakPolarHBondContact OD1-CA 3.31Å; D229-E231 WeakPolarHBondContact OD1-CB 3.43Å; D229-E231 PolarHBondContact OD1-N 2.77Å
232	N	87.4	Confident	87.7	Confident	80 Å²	80	71.9 Å²	71.9	43%	0.428	36%	0.36	S	S	.	.			trans	-127.7	86.5	176.2	-168.7	-20.1	0	0	0	112.1	D229 N234 R235	D229-N232 WeakPolarHBondContact CB-O 3.36Å; D229-N232 CarbonylContact O-C 3.47Å; D229-N232 PolarHBondContact OD1-N 3.21Å; D229-N232 VanDerWaalsContact OD1-N 3.14Å; N232-N234 PolarHBondContact O-N 2.83Å; N232-N234 PolarHBondContact OD1-N 2.72Å; N232-R235 HydrophobicContact CB-CB 4.11Å; N232-R235 WeakPolarHBondContact O-CB 3.46Å; N232-R235 PolarHBondContact O-N 3.41Å
233	P	84.1	Confident	88.6	Confident	62 Å²	62	70.6 Å²	70.6	40%	0.403	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14	-175.9	-26.4	35.3	0	0	0	115.6	D229 R254	D229-P233 VanDerWaalsContact O-CA 3.25Å; D229-P233 WeakPolarHBondContact O-CA 3.41Å; P233-R254 PolarHBondContact O-NH1 2.58Å; P233-R254 PolarHBondContact O-NH2 2.96Å
234	N	82.4	Confident	89.2	Confident	147 Å²	147	71.6 Å²	71.6	79%	0.786	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.9	175.9	-67.4	-29.1	0	0	0	112.6	N232 L236	N232-N234 PolarHBondContact O-N 2.83Å; N232-N234 PolarHBondContact OD1-N 2.72Å; N234-L236 PolarHBondContact O-N 2.89Å
235	R	87.5	Confident	89.4	Confident	141 Å²	141	69.1 Å²	69.1	53%	0.532	34%	0.343	S	S	.	.			trans	-80.7	115.7	172.5	-170.5	178.8	-175.8	167.1	4.6	109.3	D229 N232	D229-R235 HydrophobicContact CB-CB 4.17Å; D229-R235 PolarHBondContact N-O 3.02Å; D229-R235 VanDerWaalsContact N-O 3.14Å; N232-R235 HydrophobicContact CB-CB 4.11Å; N232-R235 WeakPolarHBondContact O-CB 3.46Å; N232-R235 PolarHBondContact O-N 3.41Å
236	L	88.7	Confident	89.5	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.3	-177.6	-57.3	-179.4	0	0	0	110.7	K226 L227 N234	K226-L236 HydrophobicContact CD-CB 4.34Å; K226-L236 HydrophobicContact CD-CD1 4.02Å; L227-L236 CarbonylContact O-C 3.59Å; L227-L236 WeakPolarHBondContact O-CA 2.91Å; N234-L236 PolarHBondContact O-N 2.89Å
237	T	89.6	Confident	89.6	Confident	15 Å²	15	67.7 Å²	67.7	9%	0.092	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.3	170.1	-58.4	0	0	0	0	108.5	V208 K226 L227 Q241 L246	V208-T237 HydrophobicContact CG2-CG2 4.19Å; K226-T237 CarbonylContact C-O 3.51Å; K226-T237 WeakPolarHBondContact CA-O 3.42Å; L227-T237 PolarHBondContact N-O 2.98Å; L227-T237 PolarHBondContact O-N 3.06Å; T237-Q241 HydrophobicContact CG2-CB 3.55Å; T237-Q241 HydrophobicContact CG2-CG 3.87Å; T237-L246 HydrophobicContact CG2-CD1 4.48Å; T237-L246 HydrophobicContact CG2-CD2 4.07Å
238	V	90.9	Very high	89.4	Confident	52 Å²	52	74.3 Å²	74.3	32%	0.315	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	153	177	-64.9	0	0	0	0	111.1	K226 T240 Q241	K226-V238 HydrophobicContact CD-CG1 4.4Å; K226-V238 HydrophobicContact CG-CG1 4.43Å; V238-T240 PolarHBondContact O-N 3.41Å; V238-T240 VanDerWaalsContact O-N 3.12Å; V238-Q241 HydrophobicContact CG2-CB 4.24Å; V238-Q241 VanDerWaalsContact O-CB 3.26Å; V238-Q241 WeakPolarHBondContact O-CB 3.28Å; V238-Q241 PolarHBondContact O-N 3.47Å
239	R	89.1	Confident	89.5	Confident	51 Å²	51	77.6 Å²	77.6	19%	0.192	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	-176.1	73.1	-168.1	-170.4	99.4	5.9	115	V208 E209 E224 F225	V208-R239 WeakPolarHBondContact CB-O 3.22Å; V208-R239 PolarHBondContact N-O 2.81Å; E209-R239 HydrophobicContact CB-CB 4.33Å; E209-R239 PolarHBondContact N-O 2.94Å; E209-R239 IonicContact OE1-NH1 2.72Å; E209-R239 PolarHBondContact OE1-NH1 2.82Å; E209-R239 IonicContact OE2-CZ 3.19Å; E209-R239 IonicContact OE2-NH1 2.8Å; E209-R239 PolarHBondContact OE2-NH1 2.94Å; E224-R239 IonicContact OE1-CZ 3.84Å; E224-R239 IonicContact OE1-NE 3.93Å; E224-R239 PolarHBondContact OE1-NE 2.82Å; E224-R239 IonicContact OE1-NH2 3.44Å; E224-R239 PolarHBondContact OE1-NH2 3.08Å; E224-R239 IonicContact OE2-NE 2.8Å; E224-R239 PolarHBondContact OE2-NE 2.82Å; F225-R239 HydrophobicContact CD1-CB 4.17Å; F225-R239 HydrophobicContact CD2-CB 4.27Å; F225-R239 HydrophobicContact CE1-CB 3.73Å; F225-R239 HydrophobicContact CE2-CB 3.84Å; F225-R239 HydrophobicContact CG-CB 4.41Å; F225-R239 HydrophobicContact CZ-CB 3.53Å
240	T	89.4	Confident	89.6	Confident	92 Å²	92	78.4 Å²	78.4	56%	0.564	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.6	178.1	54.6	0	0	0	0	113.8	T207 V238	T207-T240 WeakPolarHBondContact CG2-O 3.41Å; V238-T240 PolarHBondContact O-N 3.41Å; V238-T240 VanDerWaalsContact O-N 3.12Å
241	Q	92.7	Very high	89.9	Confident	98 Å²	98	76.2 Å²	76.2	46%	0.458	38%	0.379	S	S	.	.	S	Bend	trans	-69.1	146.9	177.1	-162.3	88.5	29.8	0	0	110.2	T207 V208 T237 V238	T207-Q241 CarbonylContact C-O 3.57Å; T207-Q241 VanDerWaalsContact CA-O 3.29Å; T207-Q241 WeakPolarHBondContact CA-O 3.44Å; V208-Q241 PolarHBondContact N-O 3.37Å; T237-Q241 HydrophobicContact CG2-CB 3.55Å; T237-Q241 HydrophobicContact CG2-CG 3.87Å; V238-Q241 HydrophobicContact CG2-CB 4.24Å; V238-Q241 VanDerWaalsContact O-CB 3.26Å; V238-Q241 WeakPolarHBondContact O-CB 3.28Å; V238-Q241 PolarHBondContact O-N 3.47Å
242	R	93.8	Very high	90	Very high	153 Å²	153	70.4 Å²	70.4	58%	0.577	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-67.8	144.7	171.9	-65.3	-175.8	175.6	-176.8	1.7	112.7	M206 D244	M206-R242 CarbonylContact O-C 3.5Å; M206-R242 VanDerWaalsContact O-CA 3.27Å; M206-R242 WeakPolarHBondContact O-CA 3.49Å; R242-D244 PolarHBondContact O-N 2.93Å
243	V	93.2	Very high	90.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-73.2	-11.8	-179.4	-61.3	0	0	0	0	114.1	S169 F171 M206 V208 A211 S245 L246	S169-V243 WeakPolarHBondContact CB-O 3.49Å; S169-V243 PolarHBondContact OG-O 3.4Å; F171-V243 HydrophobicContact CE1-CB 4.19Å; F171-V243 HydrophobicContact CE1-CG1 3.85Å; F171-V243 HydrophobicContact CZ-CG1 4.34Å; M206-V243 HydrophobicContact CB-CG2 4.4Å; M206-V243 PolarHBondContact O-N 3.38Å; V208-V243 HydrophobicContact CG2-CG1 4.25Å; A211-V243 HydrophobicContact CB-CG1 3.9Å; V243-S245 PolarHBondContact O-N 3.33Å; V243-L246 HydrophobicContact CB-CD1 4.45Å; V243-L246 HydrophobicContact CG1-CD1 4.41Å; V243-L246 WeakPolarHBondContact O-CB 3.28Å; V243-L246 PolarHBondContact O-N 2.83Å
244	D	91.8	Very high	90.2	Very high	66 Å²	66	66.1 Å²	66.1	35%	0.353	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-53.1	-36	-172.1	-52.2	4.3	0	0	0	113.1	K204 G205 R242	K204-D244 WeakPolarHBondContact CA-OD1 3.01Å; G205-D244 PolarHBondContact N-OD1 3.16Å; R242-D244 PolarHBondContact O-N 2.93Å
245	S	87.6	Confident	90.2	Very high	64 Å²	64	60 Å²	60	45%	0.448	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-91.5	-0.4	-177.3	68	0	0	0	0	114.7	V243 K249	V243-S245 PolarHBondContact O-N 3.33Å; S245-K249 PolarHBondContact O-NZ 2.87Å
246	L	91.3	Very high	89.5	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.016	29%	0.286	C	S	.	.			trans	-95.9	-6.5	-174.3	-51.1	-173.9	0	0	0	113.1	F171 V208 L227 T237 V243 Q248 K249 F251	F171-L246 HydrophobicContact CB-CB 4.01Å; F171-L246 WeakPolarHBondContact CB-O 3.4Å; F171-L246 HydrophobicContact CD1-CB 4.25Å; F171-L246 HydrophobicContact CG-CB 4.1Å; V208-L246 HydrophobicContact CG2-CD1 3.39Å; L227-L246 HydrophobicContact CD1-CD1 4.36Å; T237-L246 HydrophobicContact CG2-CD1 4.48Å; T237-L246 HydrophobicContact CG2-CD2 4.07Å; V243-L246 HydrophobicContact CB-CD1 4.45Å; V243-L246 HydrophobicContact CG1-CD1 4.41Å; V243-L246 WeakPolarHBondContact O-CB 3.28Å; V243-L246 PolarHBondContact O-N 2.83Å; L246-Q248 PolarHBondContact O-N 2.85Å; L246-K249 WeakPolarHBondContact O-CB 3.44Å; L246-K249 PolarHBondContact O-N 2.84Å; L246-F251 HydrophobicContact CB-CE2 3.89Å; L246-F251 HydrophobicContact CB-CZ 4.12Å; L246-F251 HydrophobicContact CD2-CE1 4.16Å; L246-F251 HydrophobicContact CD2-CE2 4.08Å; L246-F251 HydrophobicContact CD2-CZ 3.53Å; L246-F251 HydrophobicContact CG-CE2 4.38Å; L246-F251 HydrophobicContact CG-CZ 4.3Å
247	H	92.3	Very high	88	Confident	76 Å²	76	58.4 Å²	58.4	35%	0.352	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	130.4	-174.3	-170.2	46.2	0	0	0	112.3	S169 V170 K249	S169-H247 PolarHBondContact OG-N 2.83Å; V170-H247 PolarHBondContact N-ND1 3.25Å; V170-H247 VanDerWaalsContact N-ND1 3.2Å; V170-H247 CarbonylContact O-C 3.56Å; V170-H247 VanDerWaalsContact O-CA 3.32Å; V170-H247 WeakPolarHBondContact O-CA 3.47Å; V170-H247 PolarHBondContact O-ND1 3.5Å; V170-H247 VanDerWaalsContact O-ND1 3.09Å; H247-K249 PolarHBondContact O-N 2.91Å; H247-K249 VanDerWaalsContact O-N 3.15Å
248	Q	88.3	Confident	86	Confident	139 Å²	139	64 Å²	64	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	12.9	-179.1	-60.6	178.3	38.4	0	0	115.8	V170 L246	V170-Q248 PolarHBondContact O-N 3.39Å; L246-Q248 PolarHBondContact O-N 2.85Å
249	K	92.4	Very high	83.5	Confident	72 Å²	72	68.3 Å²	68.3	31%	0.313	34%	0.338	S	S	.	.			trans	-97.2	153.7	176.1	-65.3	174.3	-174.8	163.2	0	111.6	Y172 S245 L246 H247 F251	Y172-K249 PolarHBondContact N-O 2.82Å; S245-K249 PolarHBondContact O-NZ 2.87Å; L246-K249 WeakPolarHBondContact O-CB 3.44Å; L246-K249 PolarHBondContact O-N 2.84Å; H247-K249 PolarHBondContact O-N 2.91Å; H247-K249 VanDerWaalsContact O-N 3.15Å; K249-F251 HydrophobicContact CB-CD2 4.45Å; K249-F251 HydrophobicContact CB-CE2 3.48Å; K249-F251 VanDerWaalsContact CB-CE2 3.48Å; K249-F251 HydrophobicContact CB-CZ 3.5Å; K249-F251 HydrophobicContact CD-CZ 4.06Å; K249-F251 HydrophobicContact CG-CZ 4.44Å
250	A	92.3	Very high	81.2	Confident	25 Å²	25	77.9 Å²	77.9	21%	0.207	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.3	177.4	0	0	0	0	0	111.3	Y172 F197 N230	Y172-A250 CarbonylContact O-C 3.55Å; Y172-A250 WeakPolarHBondContact O-CA 3.36Å; F197-A250 HydrophobicContact CE1-CB 4.03Å; F197-A250 HydrophobicContact CZ-CB 4.42Å; N230-A250 HydrophobicContact CB-CB 4.13Å; N230-A250 WeakPolarHBondContact CB-O 3.36Å; N230-A250 PolarHBondContact N-O 2.82Å
251	F	93.6	Very high	78.4	Confident	3 Å²	3	80.3 Å²	80.3	1%	0.013	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.9	-176.6	-55	-89.6	0	0	0	112.4	F171 Y172 I173 D174 L227 S228 D229 L246 K249	F171-F251 HydrophobicContact CB-CE2 4.3Å; F171-F251 HydrophobicContact CD2-CD2 4.26Å; Y172-F251 PolarHBondContact O-N 3.41Å; I173-F251 WeakPolarHBondContact CA-O 3.34Å; I173-F251 HydrophobicContact CD1-CB 4.11Å; D174-F251 PolarHBondContact N-O 3.35Å; L227-F251 HydrophobicContact CB-CB 3.93Å; L227-F251 HydrophobicContact CB-CD1 3.99Å; L227-F251 HydrophobicContact CB-CG 4.09Å; L227-F251 HydrophobicContact CD1-CB 4.27Å; L227-F251 HydrophobicContact CD1-CD2 4.39Å; L227-F251 HydrophobicContact CD1-CG 4.18Å; L227-F251 HydrophobicContact CD2-CB 4.5Å; L227-F251 HydrophobicContact CG-CB 4.47Å; S228-F251 CarbonylContact O-C 3.51Å; S228-F251 VanDerWaalsContact O-CA 3.28Å; S228-F251 WeakPolarHBondContact O-CA 3.44Å; D229-F251 HydrophobicContact CB-CD1 4.17Å; D229-F251 HydrophobicContact CB-CE1 4.09Å; L246-F251 HydrophobicContact CB-CE2 3.89Å; L246-F251 HydrophobicContact CB-CZ 4.12Å; L246-F251 HydrophobicContact CD2-CE1 4.16Å; L246-F251 HydrophobicContact CD2-CE2 4.08Å; L246-F251 HydrophobicContact CD2-CZ 3.53Å; L246-F251 HydrophobicContact CG-CE2 4.38Å; L246-F251 HydrophobicContact CG-CZ 4.3Å; K249-F251 HydrophobicContact CB-CD2 4.45Å; K249-F251 HydrophobicContact CB-CE2 3.48Å; K249-F251 VanDerWaalsContact CB-CE2 3.48Å; K249-F251 HydrophobicContact CB-CZ 3.5Å; K249-F251 HydrophobicContact CD-CZ 4.06Å; K249-F251 HydrophobicContact CG-CZ 4.44Å
252	K	91.5	Very high	75.4	Confident	63 Å²	63	79.2 Å²	79.2	27%	0.274	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	168.1	-82.5	172	-176.7	-175.7	0	110.5	D174 V176 L227 S228 N230 R254	D174-K252 HydrophobicContact CB-CG 3.66Å; D174-K252 VanDerWaalsContact CG-CE 3.42Å; D174-K252 WeakPolarHBondContact OD2-CE 3.29Å; D174-K252 IonicContact OD2-NZ 3.03Å; V176-K252 WeakPolarHBondContact O-CE 3.49Å; V176-K252 WeakPolarHBondContact O-CG 3.22Å; L227-K252 WeakPolarHBondContact CA-O 3.44Å; S228-K252 PolarHBondContact N-O 2.91Å; S228-K252 PolarHBondContact O-N 2.8Å; S228-K252 WeakPolarHBondContact OG-CB 3.34Å; S228-K252 PolarHBondContact OG-O 2.81Å; N230-K252 WeakPolarHBondContact OD1-CG 3.35Å; N230-K252 PolarHBondContact OD1-N 2.85Å; K252-R254 PolarHBondContact O-N 3.33Å
253	I	90	Very high	72.9	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.7	172.1	-63.1	173	0	0	0	109.2	I173 G178 T181 L186 L212 F218 L222 F225 L227 L255	I173-I253 HydrophobicContact CG2-CD1 3.92Å; I173-I253 HydrophobicContact CG2-CG1 3.99Å; G178-I253 PolarHBondContact N-O 3.31Å; T181-I253 VanDerWaalsContact CG2-O 3.27Å; T181-I253 WeakPolarHBondContact CG2-O 3.11Å; L186-I253 HydrophobicContact CD1-CB 4.18Å; L186-I253 HydrophobicContact CD1-CG2 4.41Å; L186-I253 HydrophobicContact CD2-CG2 4.16Å; L212-I253 HydrophobicContact CD1-CD1 4.5Å; F218-I253 HydrophobicContact CD1-CD1 4.09Å; F218-I253 HydrophobicContact CE1-CD1 3.89Å; L222-I253 HydrophobicContact CD1-CD1 4.34Å; F225-I253 HydrophobicContact CB-CG2 4.18Å; F225-I253 HydrophobicContact CD2-CG2 4.3Å; F225-I253 HydrophobicContact CG-CG2 4.46Å; L227-I253 HydrophobicContact CD2-CG1 3.73Å; I253-L255 HydrophobicContact CG2-CD2 4.46Å
254	R	85.2	Confident	69.8	Low	52 Å²	52	87.4 Å²	87.4	20%	0.196	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.3	173.8	-66.8	-166.8	178.9	175.4	5.6	110.7	F225 K226 S228 P233 K252	F225-R254 WeakPolarHBondContact CA-O 3.35Å; F225-R254 WeakPolarHBondContact CB-O 3.32Å; K226-R254 PolarHBondContact N-O 3.05Å; K226-R254 PolarHBondContact O-N 3.27Å; S228-R254 PolarHBondContact OG-NE 2.84Å; S228-R254 PolarHBondContact OG-NH2 2.94Å; P233-R254 PolarHBondContact O-NH1 2.58Å; P233-R254 PolarHBondContact O-NH2 2.96Å; K252-R254 PolarHBondContact O-N 3.33Å
255	L	82.1	Confident	66.9	Low	18 Å²	18	90.6 Å²	90.6	9%	0.094	47%	0.465	C	S	.	.			trans	-108.2	151.6	178.2	-62	176.9	0	0	0	111	T181 K184 L186 F225 I253	T181-L255 HydrophobicContact CG2-CB 4.28Å; T181-L255 HydrophobicContact CG2-CD1 4.05Å; T181-L255 HydrophobicContact CG2-CG 3.83Å; K184-L255 HydrophobicContact CB-CD1 4.14Å; K184-L255 HydrophobicContact CD-CD1 3.63Å; K184-L255 HydrophobicContact CG-CD1 4.28Å; L186-L255 HydrophobicContact CD2-CD1 4.1Å; F225-L255 HydrophobicContact CB-CD2 3.69Å; I253-L255 HydrophobicContact CG2-CD2 4.46Å
256	P	74	Confident	64.4	Low	76 Å²	76	93.3 Å²	93.3	49%	0.494	48%	0.482	S	S	.	.			trans	-64	156.5	-179.5	25.2	-34.2	0	0	0	112.6	E224	E224-P256 HydrophobicContact CB-CG 4.23Å; E224-P256 WeakPolarHBondContact O-CD 3.45Å
257	L	57	Low	61.7	Low	107 Å²	107	99.2 Å²	99.2	56%	0.56	52%	0.518	S	S	*	.			trans	-78.9	118.9	176.2	-173.1	77.4	0	0	0	109.5	K180 K259	K180-L257 HydrophobicContact CD-CB 4.31Å; K180-L257 HydrophobicContact CD-CD1 3.81Å; K180-L257 VanDerWaalsContact CE-CD1 3.47Å; L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 HydrophobicContact CD2-CG 4.14Å; L257-K259 PolarHBondContact O-N 2.79Å
258	N	47.3	Very low	58.9	Low	134 Å²	134	101.4 Å²	101.4	72%	0.717	54%	0.537	S	S	*	.			trans	-73.4	91.2	164.4	-73.5	0.4	0	0	0	108.3	R260	N258-R260 PolarHBondContact O-N 3.11Å
259	K	38.3	Very low	56.5	Low	141 Å²	141	96.4 Å²	96.4	61%	0.613	52%	0.517	S	S	*	.			trans	-67.6	120.2	156.5	-95.2	-179.8	157.1	-150.5	0	107	L257 E261	L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 HydrophobicContact CD2-CG 4.14Å; L257-K259 PolarHBondContact O-N 2.79Å; K259-E261 IonicContact NZ-OE1 3.51Å; K259-E261 PolarHBondContact NZ-OE1 3.4Å; K259-E261 PolarHBondContact O-N 2.89Å
260	R	40.8	Very low	53.9	Low	253 Å²	253	99.2 Å²	99.2	96%	0.955	53%	0.534	S	S	*	.			trans	-69.4	87.8	159.7	-71.1	179.8	178.4	175.2	-1.3	106.5	N258	N258-R260 PolarHBondContact O-N 3.11Å
261	E	31.2	Very low	51.1	Low	142 Å²	142	103.4 Å²	103.4	66%	0.664	55%	0.553	S	S	*	*			trans	-111.3	142.7	160.3	-81.7	171	-162.5	0	0	107.4	K259	K259-E261 IonicContact NZ-OE1 3.51Å; K259-E261 PolarHBondContact NZ-OE1 3.4Å; K259-E261 PolarHBondContact O-N 2.89Å
262	G	29.1	Very low	48.4	Very low	75 Å²	75	106.6 Å²	106.6	77%	0.773	57%	0.57	S	S	*	*			trans	-63.7	171.1	-153.3	0	0	0	0	0	116.5	E264	G262-E264 PolarHBondContact O-N 3.21Å
263	V	41.6	Very low	45.8	Very low	145 Å²	145	109.1 Å²	109.1	88%	0.879	59%	0.59	S	S	*	*			trans	-43.9	101.1	173.4	179.4	0	0	0	0	111.3
264	E	28.2	Very low	43.1	Very low	181 Å²	181	112 Å²	112	85%	0.846	61%	0.614	S	S	*	*			trans	-137.5	132.8	141.9	-73.3	-165.5	162.9	0	0	108.1	G262	G262-E264 PolarHBondContact O-N 3.21Å
265	N	31.4	Very low	40.7	Very low	132 Å²	132	117.9 Å²	117.9	71%	0.706	64%	0.636	S	S	*	*			trans	-46.7	133.7	-170.6	-62.3	-58.9	0	0	0	113	T267	N265-T267 PolarHBondContact O-N 3.23Å; N265-T267 PolarHBondContact O-OG1 3.16Å
266	P	33.9	Very low	38.6	Very low	122 Å²	122	123 Å²	123	79%	0.792	67%	0.668	S	S	*	*			trans	-76.6	77	161.6	32.8	-30.2	0	0	0	107.9	T268	P266-T268 PolarHBondContact O-N 3.02Å
267	T	34.2	Very low	36.8	Very low	127 Å²	127	123.6 Å²	123.6	78%	0.779	67%	0.674	S	S	*	*			trans	-80.4	27.9	158	11.9	0	0	0	0	110.9	N265 S269	N265-T267 PolarHBondContact O-N 3.23Å; N265-T267 PolarHBondContact O-OG1 3.16Å; T267-S269 PolarHBondContact O-N 3.05Å
268	T	34.6	Very low	35.7	Very low	122 Å²	122	121.6 Å²	121.6	75%	0.748	68%	0.679	S	S	*	*			trans	-77.3	68.7	166.7	-24.6	0	0	0	0	109	P266	P266-T268 PolarHBondContact O-N 3.02Å
269	S	38.6	Very low	35	Very low	34 Å²	34	126.1 Å²	126.1	24%	0.238	69%	0.686	C	S	.	*			trans	56.1	84.6	130.5	-179.1	0	0	0	0	115.8	T267 L271 D272	T267-S269 PolarHBondContact O-N 3.05Å; S269-L271 PolarHBondContact O-N 3.19Å; S269-L271 WeakPolarHBondContact OG-CA 3.49Å; S269-L271 WeakPolarHBondContact OG-CB 3.18Å; S269-L271 PolarHBondContact OG-N 3.21Å; S269-D272 WeakPolarHBondContact CB-OD2 3.32Å; S269-D272 PolarHBondContact O-N 3.34Å; S269-D272 PolarHBondContact OG-N 3.37Å; S269-D272 PolarHBondContact OG-OD2 2.92Å
270	I	36.1	Very low	35.2	Very low	131 Å²	131	122.5 Å²	122.5	67%	0.672	68%	0.679	S	S	*	*	H	α-helix	trans	-47.7	-21.4	148.1	-66.5	166.5	0	0	0	110.9	D272 A274 V343	I270-D272 VanDerWaalsContact C-N 3.35Å; I270-D272 PolarHBondContact O-N 2.78Å; I270-A274 WeakPolarHBondContact O-CB 3.39Å; I270-A274 PolarHBondContact O-N 3.41Å; I270-V343 HydrophobicContact CD1-CG2 3.7Å
271	L	34	Very low	35.1	Very low	113 Å²	113	114.8 Å²	114.8	59%	0.592	66%	0.659	S	S	*	*	H	α-helix	trans	-63.4	-32.3	171.7	-130.1	80.4	0	0	0	113.5	S269 R275	S269-L271 PolarHBondContact O-N 3.19Å; S269-L271 WeakPolarHBondContact OG-CA 3.49Å; S269-L271 WeakPolarHBondContact OG-CB 3.18Å; S269-L271 PolarHBondContact OG-N 3.21Å; L271-R275 VanDerWaalsContact O-CG 3.27Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 3Å
272	D	37.8	Very low	35.4	Very low	70 Å²	70	115.2 Å²	115.2	37%	0.374	66%	0.659	S	S	.	*	H	α-helix	trans	-82.2	-30.8	-179.1	-66.8	-45	0	0	0	111.8	S269 I270 A274 R275 V276	S269-D272 WeakPolarHBondContact CB-OD2 3.32Å; S269-D272 PolarHBondContact O-N 3.34Å; S269-D272 PolarHBondContact OG-N 3.37Å; S269-D272 PolarHBondContact OG-OD2 2.92Å; I270-D272 VanDerWaalsContact C-N 3.35Å; I270-D272 PolarHBondContact O-N 2.78Å; D272-A274 VanDerWaalsContact C-N 3.35Å; D272-R275 PolarHBondContact O-N 3.14Å; D272-R275 IonicContact OD1-NH1 3.54Å; D272-V276 WeakPolarHBondContact O-CG2 3.45Å; D272-V276 PolarHBondContact O-N 3.18Å; D272-V276 VanDerWaalsContact O-N 3.16Å
273	V	36.8	Very low	36	Very low	115 Å²	115	118.4 Å²	118.4	70%	0.697	65%	0.652	S	S	*	*	H	α-helix	trans	-69.6	-35.4	168.2	-176.5	0	0	0	0	110.6	R275 V276 S277	V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 PolarHBondContact O-N 2.72Å; V273-V276 PolarHBondContact O-N 3.05Å; V273-S277 PolarHBondContact O-N 2.71Å
274	A	33.4	Very low	36	Very low	61 Å²	61	114.2 Å²	114.2	50%	0.504	63%	0.632	S	S	.	*	H	α-helix	trans	-65.7	-30.1	170.4	0	0	0	0	0	112.6	I270 D272 S277	I270-A274 WeakPolarHBondContact O-CB 3.39Å; I270-A274 PolarHBondContact O-N 3.41Å; D272-A274 VanDerWaalsContact C-N 3.35Å; A274-S277 PolarHBondContact O-OG 3.22Å
275	R	35.2	Very low	36.8	Very low	177 Å²	177	111.8 Å²	111.8	67%	0.668	62%	0.622	S	S	*	*	H	α-helix	trans	-75.6	-21.3	174.9	-77.4	170.3	175.8	-169.6	-3	114.3	L271 D272 V273	L271-R275 VanDerWaalsContact O-CG 3.27Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 3Å; D272-R275 PolarHBondContact O-N 3.14Å; D272-R275 IonicContact OD1-NH1 3.54Å; V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 PolarHBondContact O-N 2.72Å
276	V	36.2	Very low	37.6	Very low	126 Å²	126	112.7 Å²	112.7	76%	0.764	62%	0.623	S	S	*	*	H	α-helix	trans	-92.3	-2.8	177.2	-178	0	0	0	0	112.3	D272 V273 G278	D272-V276 WeakPolarHBondContact O-CG2 3.45Å; D272-V276 PolarHBondContact O-N 3.18Å; D272-V276 VanDerWaalsContact O-N 3.16Å; V273-V276 PolarHBondContact O-N 3.05Å; V276-G278 PolarHBondContact O-N 3.16Å
277	S	36.4	Very low	38.2	Very low	87 Å²	87	114.7 Å²	114.7	61%	0.608	62%	0.621	S	S	*	*	S	Bend	trans	-58.6	125.6	162.1	66.8	0	0	0	0	108.8	V273 A274	V273-S277 PolarHBondContact O-N 2.71Å; A274-S277 PolarHBondContact O-OG 3.22Å
278	G	34.7	Very low	39	Very low	66 Å²	66	115.1 Å²	115.1	68%	0.68	63%	0.626	S	S	*	*			trans	-44.9	145.8	-170.8	0	0	0	0	0	111.9	V276 S280	V276-G278 PolarHBondContact O-N 3.16Å; G278-S280 PolarHBondContact O-N 3.44Å
279	R	33.5	Very low	39.6	Very low	229 Å²	229	112 Å²	112	86%	0.864	62%	0.619	S	S	*	*			trans	-45.5	104.7	174.5	-84.2	-178.8	174.2	-178.5	-3.4	108.2	V281	R279-V281 PolarHBondContact O-N 3Å
280	S	41.8	Very low	40.1	Very low	64 Å²	64	118.8 Å²	118.8	45%	0.448	65%	0.652	S	S	.	*			trans	-55.5	130.8	167	168.4	0	0	0	0	105.8	G278 K282 K283 A284	G278-S280 PolarHBondContact O-N 3.44Å; S280-K282 PolarHBondContact O-N 3.43Å; S280-K282 WeakPolarHBondContact OG-CB 3.3Å; S280-K282 PolarHBondContact OG-N 3.3Å; S280-K283 WeakPolarHBondContact O-CA 3.41Å; S280-K283 WeakPolarHBondContact O-CB 3.27Å; S280-K283 PolarHBondContact O-N 3.41Å; S280-A284 PolarHBondContact O-N 2.85Å
281	V	37.9	Very low	40.7	Very low	91 Å²	91	117.2 Å²	117.2	55%	0.552	65%	0.653	S	S	*	*	H	α-helix	trans	-48.6	-36	173.4	179.8	0	0	0	0	109.3	R279 K283 A284 M285	R279-V281 PolarHBondContact O-N 3Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 3.13Å; V281-A284 PolarHBondContact O-N 2.81Å; V281-A284 VanDerWaalsContact O-N 3.17Å; V281-M285 HydrophobicContact CG1-SD 4.22Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3Å
282	K	39	Very low	41.6	Very low	151 Å²	151	116 Å²	116	66%	0.657	67%	0.668	S	S	*	*	H	α-helix	trans	-59.4	-34.3	173.9	-138.1	178.3	-174.9	-177.8	0	115	S280 M285	S280-K282 PolarHBondContact O-N 3.43Å; S280-K282 WeakPolarHBondContact OG-CB 3.3Å; S280-K282 PolarHBondContact OG-N 3.3Å; K282-M285 HydrophobicContact CG-SD 4.46Å; K282-M285 WeakPolarHBondContact O-CB 3.43Å; K282-M285 PolarHBondContact O-N 3.44Å
283	K	40.3	Very low	41.9	Very low	143 Å²	143	115.4 Å²	115.4	62%	0.622	67%	0.669	S	S	*	*	H	α-helix	trans	-84.1	-21.4	179.1	-150.2	176.2	-172.1	178.3	0	112.5	S280 V281	S280-K283 WeakPolarHBondContact O-CA 3.41Å; S280-K283 WeakPolarHBondContact O-CB 3.27Å; S280-K283 PolarHBondContact O-N 3.41Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 3.13Å
284	A	41.1	Very low	42.9	Very low	57 Å²	57	112.4 Å²	112.4	47%	0.471	65%	0.653	S	S	.	*	H	α-helix	trans	-77.6	-25.7	166.9	0	0	0	0	0	112	S280 V281	S280-A284 PolarHBondContact O-N 2.85Å; V281-A284 PolarHBondContact O-N 2.81Å; V281-A284 VanDerWaalsContact O-N 3.17Å
285	M	45.8	Very low	43.6	Very low	129 Å²	129	113.1 Å²	113.1	64%	0.635	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-21.6	176.7	-68.2	161.5	71.7	0	0	114.3	V281 K282	V281-M285 HydrophobicContact CG1-SD 4.22Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3Å; K282-M285 HydrophobicContact CG-SD 4.46Å; K282-M285 WeakPolarHBondContact O-CB 3.43Å; K282-M285 PolarHBondContact O-N 3.44Å
286	E	48.8	Very low	44.8	Very low	152 Å²	152	110.9 Å²	110.9	71%	0.71	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-4.1	-178.3	-71.9	175.8	178.8	0	0	113.8	P288	E286-P288 WeakPolarHBondContact O-CD 3.5Å
287	Q	46.5	Very low	45.9	Very low	164 Å²	164	109.8 Å²	109.8	77%	0.766	64%	0.635	S	S	*	*			trans	-109.2	97.2	172.1	-64.7	-148.1	-3.9	0	0	110.1	G289	Q287-G289 VanDerWaalsContact C-N 3.35Å; Q287-G289 PolarHBondContact O-N 3.46Å
288	P	50.3	Low	47.1	Very low	135 Å²	135	109.6 Å²	109.6	88%	0.877	63%	0.626	S	S	*	*			trans	-72.7	95.2	171.6	29.1	-29.5	0	0	0	107.9	E286	E286-P288 WeakPolarHBondContact O-CD 3.5Å
289	G	46.6	Very low	48	Very low	58 Å²	58	111 Å²	111	60%	0.598	61%	0.612	S	S	*	*			trans	-134.7	83.1	178.9	0	0	0	0	0	111.2	Q287 S291	Q287-G289 VanDerWaalsContact C-N 3.35Å; Q287-G289 PolarHBondContact O-N 3.46Å; G289-S291 PolarHBondContact O-N 2.82Å
290	D	50.4	Low	49.7	Very low	175 Å²	175	103.6 Å²	103.6	94%	0.936	59%	0.587	S	S	*	*			trans	36.4	50.4	144.6	-148.3	26.8	0	0	0	119.1
291	S	49.1	Very low	50.7	Low	98 Å²	98	105.2 Å²	105.2	69%	0.685	59%	0.59	S	S	*	*			trans	-123.7	106.7	157.9	69	0	0	0	0	108.1	G289 C293	G289-S291 PolarHBondContact O-N 2.82Å; S291-C293 PolarHBondContact O-N 2.9Å
292	G	51.2	Low	51.5	Low	89 Å²	89	104.9 Å²	104.9	92%	0.918	58%	0.584	S	S	*	*			trans	-68.2	45.8	-175	0	0	0	0	0	115.7
293	C	44	Very low	52.6	Low	57 Å²	57	103.2 Å²	103.2	39%	0.385	57%	0.574	S	S	.	*			trans	-107	114	167.6	-165.6	0	0	0	0	107.6	S291 I298	S291-C293 PolarHBondContact O-N 2.9Å; C293-I298 HydrophobicContact CB-CD1 4.4Å; C293-I298 HydrophobicContact CB-CG1 4.48Å; C293-I298 VanDerWaalsContact SG-CG1 3.56Å
294	S	58	Low	53.8	Low	52 Å²	52	103.6 Å²	103.6	36%	0.364	58%	0.576	S	S	.	*			trans	-66.5	143.1	-178.4	62.6	0	0	0	0	110.2	E296 E297 I298	S294-E296 PolarHBondContact O-N 3.29Å; S294-E296 VanDerWaalsContact O-N 3.15Å; S294-E297 PolarHBondContact N-OE2 3.12Å; S294-E297 WeakPolarHBondContact O-CB 3.39Å; S294-E297 PolarHBondContact O-N 3.32Å; S294-E297 WeakPolarHBondContact OG-CB 3.43Å; S294-E297 WeakPolarHBondContact OG-CG 3.1Å; S294-E297 PolarHBondContact OG-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 3.12Å; S294-I298 PolarHBondContact O-N 3.34Å
295	T	49.5	Very low	54.6	Low	76 Å²	76	106.8 Å²	106.8	47%	0.466	58%	0.581	S	S	.	*	H	α-helix	trans	-51	-39.1	178.6	-57.3	0	0	0	0	111.5	I298 Y299	T295-I298 PolarHBondContact O-N 3.4Å; T295-Y299 HydrophobicContact CG2-CD2 3.75Å; T295-Y299 HydrophobicContact CG2-CE2 3.45Å; T295-Y299 VanDerWaalsContact CG2-CE2 3.45Å; T295-Y299 WeakPolarHBondContact O-CD2 3.22Å; T295-Y299 PolarHBondContact O-N 2.7Å; T295-Y299 VanDerWaalsContact O-N 3.1Å
296	E	60.4	Low	55.1	Low	129 Å²	129	106.2 Å²	106.2	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-63.7	-39.2	176	-77	58.9	-138.4	0	0	112.5	S294 Y299 E300	S294-E296 PolarHBondContact O-N 3.29Å; S294-E296 VanDerWaalsContact O-N 3.15Å; E296-Y299 PolarHBondContact O-N 2.8Å; E296-E300 VanDerWaalsContact O-CB 3.31Å; E296-E300 WeakPolarHBondContact O-CB 3.33Å; E296-E300 VanDerWaalsContact O-CG 3.29Å; E296-E300 WeakPolarHBondContact O-CG 3.41Å; E296-E300 PolarHBondContact O-N 2.69Å
297	E	59.3	Low	55.6	Low	103 Å²	103	102.8 Å²	102.8	48%	0.481	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-39.2	176.6	-79.2	165.7	148	0	0	112.3	S294 E300 L301	S294-E297 PolarHBondContact N-OE2 3.12Å; S294-E297 WeakPolarHBondContact O-CB 3.39Å; S294-E297 PolarHBondContact O-N 3.32Å; S294-E297 WeakPolarHBondContact OG-CB 3.43Å; S294-E297 WeakPolarHBondContact OG-CG 3.1Å; S294-E297 PolarHBondContact OG-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 3.12Å; E297-E300 PolarHBondContact O-N 2.84Å; E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 WeakPolarHBondContact O-CD1 3.49Å; E297-L301 VanDerWaalsContact O-CG 3.24Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 3.01Å
298	I	60.1	Low	55.9	Low	83 Å²	83	102.8 Å²	102.8	43%	0.426	57%	0.566	S	S	.	*	H	α-helix	trans	-66.5	-44.3	177.5	-61.2	176.9	0	0	0	110.3	C293 S294 T295 E300 L301 L302	C293-I298 HydrophobicContact CB-CD1 4.4Å; C293-I298 HydrophobicContact CB-CG1 4.48Å; C293-I298 VanDerWaalsContact SG-CG1 3.56Å; S294-I298 PolarHBondContact O-N 3.34Å; T295-I298 PolarHBondContact O-N 3.4Å; I298-E300 VanDerWaalsContact C-N 3.35Å; I298-L301 PolarHBondContact O-N 2.98Å; I298-L302 HydrophobicContact CG2-CD1 4.08Å; I298-L302 WeakPolarHBondContact O-CG 3.11Å; I298-L302 PolarHBondContact O-N 2.86Å
299	Y	54.5	Low	55.8	Low	97 Å²	97	100.5 Å²	100.5	38%	0.38	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-36.6	176.5	-76.3	-56.7	0	0	0	112.5	T295 E296 L302 R303	T295-Y299 HydrophobicContact CG2-CD2 3.75Å; T295-Y299 HydrophobicContact CG2-CE2 3.45Å; T295-Y299 VanDerWaalsContact CG2-CE2 3.45Å; T295-Y299 WeakPolarHBondContact O-CD2 3.22Å; T295-Y299 PolarHBondContact O-N 2.7Å; T295-Y299 VanDerWaalsContact O-N 3.1Å; E296-Y299 PolarHBondContact O-N 2.8Å; Y299-L302 PolarHBondContact O-N 2.96Å; Y299-R303 WeakPolarHBondContact O-CB 3.4Å; Y299-R303 WeakPolarHBondContact O-CG 3.32Å; Y299-R303 PolarHBondContact O-N 2.83Å
300	E	68.2	Low	56.6	Low	73 Å²	73	101.3 Å²	101.3	34%	0.341	53%	0.533	S	S	.	.	H	α-helix	trans	-68.3	-38.4	174.5	-77.5	-54.6	126.8	0	0	112.4	E296 E297 I298 R303 K304	E296-E300 VanDerWaalsContact O-CB 3.31Å; E296-E300 WeakPolarHBondContact O-CB 3.33Å; E296-E300 VanDerWaalsContact O-CG 3.29Å; E296-E300 WeakPolarHBondContact O-CG 3.41Å; E296-E300 PolarHBondContact O-N 2.69Å; E297-E300 PolarHBondContact O-N 2.84Å; I298-E300 VanDerWaalsContact C-N 3.35Å; E300-R303 PolarHBondContact O-N 3.35Å; E300-R303 IonicContact OE1-CZ 3.87Å; E300-R303 IonicContact OE1-NH1 3.88Å; E300-R303 PolarHBondContact OE1-NH1 3.05Å; E300-K304 WeakPolarHBondContact O-CB 3.4Å; E300-K304 VanDerWaalsContact O-CG 3.24Å; E300-K304 WeakPolarHBondContact O-CG 3.21Å; E300-K304 PolarHBondContact O-N 3.46Å
301	L	64.8	Low	57.4	Low	97 Å²	97	99.6 Å²	99.6	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-43.5	174	-76.6	163.5	0	0	0	111.6	E297 I298 K304 Q305	E297-L301 WeakPolarHBondContact O-CB 3.41Å; E297-L301 WeakPolarHBondContact O-CD1 3.49Å; E297-L301 VanDerWaalsContact O-CG 3.24Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 3.01Å; I298-L301 PolarHBondContact O-N 2.98Å; L301-K304 PolarHBondContact O-N 2.86Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 3.08Å
302	L	54.3	Low	57.6	Low	85 Å²	85	101.3 Å²	101.3	45%	0.445	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176.7	-73.3	168.3	0	0	0	112.4	I298 Y299 K304 Q305 F306	I298-L302 HydrophobicContact CG2-CD1 4.08Å; I298-L302 WeakPolarHBondContact O-CG 3.11Å; I298-L302 PolarHBondContact O-N 2.86Å; Y299-L302 PolarHBondContact O-N 2.96Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.35Å; L302-Q305 PolarHBondContact O-N 3.32Å; L302-F306 PolarHBondContact O-N 2.8Å
303	R	60.9	Low	57.6	Low	116 Å²	116	100 Å²	100	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-35.9	174.1	-78.2	173.3	-168.6	140	5.3	112.3	Y299 E300 K310	Y299-R303 WeakPolarHBondContact O-CB 3.4Å; Y299-R303 WeakPolarHBondContact O-CG 3.32Å; Y299-R303 PolarHBondContact O-N 2.83Å; E300-R303 PolarHBondContact O-N 3.35Å; E300-R303 IonicContact OE1-CZ 3.87Å; E300-R303 IonicContact OE1-NH1 3.88Å; E300-R303 PolarHBondContact OE1-NH1 3.05Å; R303-K310 HydrophobicContact CB-CD 4.1Å; R303-K310 HydrophobicContact CG-CD 4.29Å
304	K	66.8	Low	58.5	Low	150 Å²	150	102.6 Å²	102.6	65%	0.652	49%	0.488	S	S	*	.	H	α-helix	trans	-72.8	-28.8	175.7	-76.3	173.7	-177.5	176.7	0	113.2	E300 L301 L302 F306	E300-K304 WeakPolarHBondContact O-CB 3.4Å; E300-K304 VanDerWaalsContact O-CG 3.24Å; E300-K304 WeakPolarHBondContact O-CG 3.21Å; E300-K304 PolarHBondContact O-N 3.46Å; L301-K304 PolarHBondContact O-N 2.86Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.35Å; K304-F306 VanDerWaalsContact C-N 3.32Å
305	Q	58.1	Low	58.9	Low	125 Å²	125	104.6 Å²	104.6	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-71.8	-26.1	178	-78.9	178.4	-0.6	0	0	113.1	L301 L302	L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 3.08Å; L302-Q305 PolarHBondContact O-N 3.32Å
306	F	54.8	Low	58.8	Low	116 Å²	116	107 Å²	107	51%	0.509	50%	0.503	S	S	.	.			trans	-130.9	65.3	-178.8	-53.9	-78.8	0	0	0	111.6	L302 K304 E308 L309 K310	L302-F306 PolarHBondContact O-N 2.8Å; K304-F306 VanDerWaalsContact C-N 3.32Å; F306-E308 VanDerWaalsContact C-N 3.29Å; F306-E308 PolarHBondContact O-N 3.08Å; F306-L309 HydrophobicContact CB-CB 3.78Å; F306-L309 HydrophobicContact CB-CD2 4.25Å; F306-L309 PolarHBondContact O-N 2.91Å; F306-L309 VanDerWaalsContact O-N 3.15Å; F306-K310 PolarHBondContact O-N 2.58Å
307	P	60	Low	58.8	Low	81 Å²	81	103.6 Å²	103.6	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-36.8	-174.3	25	-32.3	0	0	0	112	K310 E311	P307-K310 PolarHBondContact O-N 2.68Å; P307-E311 WeakPolarHBondContact O-CB 3.26Å; P307-E311 PolarHBondContact O-N 3.45Å
308	E	53.3	Low	58.9	Low	163 Å²	163	103 Å²	103	76%	0.762	49%	0.491	S	S	*	.	H	α-helix	trans	-67.9	-36.5	176.5	-62.9	179	179.3	0	0	112.4	F306 W312	F306-E308 VanDerWaalsContact C-N 3.29Å; F306-E308 PolarHBondContact O-N 3.08Å; E308-W312 WeakPolarHBondContact O-CB 3.33Å; E308-W312 PolarHBondContact O-N 3Å
309	L	47.9	Very low	59.2	Low	88 Å²	88	102.2 Å²	102.2	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-39.7	175.6	-179.8	61.6	0	0	0	110.8	F306 W312 M313	F306-L309 HydrophobicContact CB-CB 3.78Å; F306-L309 HydrophobicContact CB-CD2 4.25Å; F306-L309 PolarHBondContact O-N 2.91Å; F306-L309 VanDerWaalsContact O-N 3.15Å; L309-W312 HydrophobicContact CD1-CE3 4.12Å; L309-W312 HydrophobicContact CD1-CZ3 4.44Å; L309-W312 PolarHBondContact O-N 2.83Å; L309-M313 HydrophobicContact CD1-CG 4.18Å; L309-M313 HydrophobicContact CD1-SD 4.39Å; L309-M313 HydrophobicContact CG-CG 4.39Å; L309-M313 HydrophobicContact CG-SD 4.23Å; L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.4Å; L309-M313 VanDerWaalsContact O-CG 3.23Å; L309-M313 WeakPolarHBondContact O-CG 3.42Å; L309-M313 PolarHBondContact O-N 2.98Å
310	K	62.6	Low	59.1	Low	74 Å²	74	102.9 Å²	102.9	32%	0.322	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-51.5	174.2	-179.7	-178.6	175.8	-177.7	0	110.6	R303 F306 P307 W312 M313 E314	R303-K310 HydrophobicContact CB-CD 4.1Å; R303-K310 HydrophobicContact CG-CD 4.29Å; F306-K310 PolarHBondContact O-N 2.58Å; P307-K310 PolarHBondContact O-N 2.68Å; K310-W312 VanDerWaalsContact C-N 3.28Å; K310-W312 PolarHBondContact O-N 3.19Å; K310-M313 PolarHBondContact O-N 2.89Å; K310-M313 VanDerWaalsContact O-N 3.15Å; K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 HydrophobicContact CG-CG 4.4Å; K310-E314 IonicContact NZ-OE1 3.77Å; K310-E314 WeakPolarHBondContact O-CB 3.42Å; K310-E314 WeakPolarHBondContact O-CG 3.34Å; K310-E314 PolarHBondContact O-N 2.84Å
311	E	67.6	Low	58.6	Low	139 Å²	139	101.3 Å²	101.3	65%	0.65	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-39.5	178.6	-168.3	176.2	-174	0	0	111.5	P307 S315	P307-E311 WeakPolarHBondContact O-CB 3.26Å; P307-E311 PolarHBondContact O-N 3.45Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å
312	W	54	Low	57.8	Low	135 Å²	135	101.7 Å²	101.7	51%	0.511	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-40.5	174.6	-176.7	91.7	0	0	0	113	E308 L309 K310 R316	E308-W312 WeakPolarHBondContact O-CB 3.33Å; E308-W312 PolarHBondContact O-N 3Å; L309-W312 HydrophobicContact CD1-CE3 4.12Å; L309-W312 HydrophobicContact CD1-CZ3 4.44Å; L309-W312 PolarHBondContact O-N 2.83Å; K310-W312 VanDerWaalsContact C-N 3.28Å; K310-W312 PolarHBondContact O-N 3.19Å; W312-R316 WeakPolarHBondContact O-CB 3.35Å; W312-R316 PolarHBondContact O-N 3.47Å
313	M	50.2	Low	57.7	Low	61 Å²	61	103.7 Å²	103.7	30%	0.3	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-42.1	176.6	-76.8	-172.7	69.1	0	0	111.6	L309 K310 R316 F317 Y322	L309-M313 HydrophobicContact CD1-CG 4.18Å; L309-M313 HydrophobicContact CD1-SD 4.39Å; L309-M313 HydrophobicContact CG-CG 4.39Å; L309-M313 HydrophobicContact CG-SD 4.23Å; L309-M313 VanDerWaalsContact O-CB 3.3Å; L309-M313 WeakPolarHBondContact O-CB 3.4Å; L309-M313 VanDerWaalsContact O-CG 3.23Å; L309-M313 WeakPolarHBondContact O-CG 3.42Å; L309-M313 PolarHBondContact O-N 2.98Å; K310-M313 PolarHBondContact O-N 2.89Å; K310-M313 VanDerWaalsContact O-N 3.15Å; M313-R316 PolarHBondContact O-N 3.25Å; M313-F317 WeakPolarHBondContact O-CB 3.38Å; M313-F317 PolarHBondContact O-N 2.88Å; M313-Y322 HydrophobicContact CE-CD2 4.17Å; M313-Y322 HydrophobicContact CE-CE1 4.26Å; M313-Y322 HydrophobicContact CE-CE2 3.7Å
314	E	64.2	Low	57.4	Low	112 Å²	112	104.6 Å²	104.6	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-37.8	176.2	-71.5	173.6	170.9	0	0	111.6	K310 F317	K310-E314 WeakPolarHBondContact CE-OE1 3.48Å; K310-E314 HydrophobicContact CG-CG 4.4Å; K310-E314 IonicContact NZ-OE1 3.77Å; K310-E314 WeakPolarHBondContact O-CB 3.42Å; K310-E314 WeakPolarHBondContact O-CG 3.34Å; K310-E314 PolarHBondContact O-N 2.84Å; E314-F317 CarbonylContact O-C 3.58Å
315	S	65	Low	56.7	Low	94 Å²	94	100 Å²	100	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-67.5	-37.5	172.9	-177.6	0	0	0	0	112.6	E311	E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å
316	R	48.7	Very low	56.1	Low	127 Å²	127	98.2 Å²	98.2	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-82.2	-31.4	-176.8	-172.8	172.3	179.1	166.4	-0.7	112.8	W312 M313	W312-R316 WeakPolarHBondContact O-CB 3.35Å; W312-R316 PolarHBondContact O-N 3.47Å; M313-R316 PolarHBondContact O-N 3.25Å
317	F	58.6	Low	55.8	Low	56 Å²	56	97.3 Å²	97.3	25%	0.246	50%	0.504	C	S	.	.	S	Bend	trans	-132.4	75.4	-176.9	-56.4	-77.9	0	0	0	110.5	M313 E314 S321 Y322	M313-F317 WeakPolarHBondContact O-CB 3.38Å; M313-F317 PolarHBondContact O-N 2.88Å; E314-F317 CarbonylContact O-C 3.58Å; F317-S321 WeakPolarHBondContact CA-OG 3.38Å; F317-S321 WeakPolarHBondContact CB-OG 3.44Å; F317-Y322 HydrophobicContact CD1-CD2 4.39Å; F317-Y322 AromaticContact CD2-CD2 3.85Å; F317-Y322 HydrophobicContact CD2-CD2 3.85Å; F317-Y322 HydrophobicContact CE2-CD2 4.01Å; F317-Y322 HydrophobicContact CE2-CE2 4.48Å; F317-Y322 HydrophobicContact CG-CD2 4.04Å; F317-Y322 HydrophobicContact CZ-CD2 4.36Å
318	P	63.4	Low	55.1	Low	91 Å²	91	99.8 Å²	99.8	59%	0.591	50%	0.503	S	S	*	.			trans	-65.1	137.4	175.6	24.8	-31.6	0	0	0	110.8	S321	P318-S321 WeakPolarHBondContact O-CB 3.23Å; P318-S321 PolarHBondContact O-OG 2.78Å
319	G	64.4	Low	54.6	Low	66 Å²	66	93.7 Å²	93.7	68%	0.68	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-144	-179.2	0	0	0	0	0	113.5	S321	G319-S321 PolarHBondContact O-N 2.93Å
320	D	54.4	Low	54.4	Low	111 Å²	111	92.3 Å²	92.3	59%	0.594	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	16.2	-173.7	-42.9	-24.3	0	0	0	113.8	Y322 E323 K324	D320-Y322 VanDerWaalsContact C-N 3.31Å; D320-Y322 PolarHBondContact O-N 2.99Å; D320-E323 PolarHBondContact O-N 3.29Å; D320-K324 WeakPolarHBondContact O-CG 3.34Å; D320-K324 PolarHBondContact O-N 2.88Å
321	S	56.8	Low	53.8	Low	40 Å²	40	95 Å²	95	28%	0.28	50%	0.496	S	S	.	.	H	α-helix	trans	-68.8	-29.7	-176.1	59.7	0	0	0	0	112.8	F317 P318 G319 A325	F317-S321 WeakPolarHBondContact CA-OG 3.38Å; F317-S321 WeakPolarHBondContact CB-OG 3.44Å; P318-S321 WeakPolarHBondContact O-CB 3.23Å; P318-S321 PolarHBondContact O-OG 2.78Å; G319-S321 PolarHBondContact O-N 2.93Å; S321-A325 WeakPolarHBondContact O-CB 3.28Å; S321-A325 PolarHBondContact O-N 2.83Å
322	Y	47	Very low	52.8	Low	106 Å²	106	93.6 Å²	93.6	42%	0.416	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-49.9	174.3	-176.6	-109.2	0	0	0	111.6	M313 F317 D320 K324 A325 L326	M313-Y322 HydrophobicContact CE-CD2 4.17Å; M313-Y322 HydrophobicContact CE-CE1 4.26Å; M313-Y322 HydrophobicContact CE-CE2 3.7Å; F317-Y322 HydrophobicContact CD1-CD2 4.39Å; F317-Y322 AromaticContact CD2-CD2 3.85Å; F317-Y322 HydrophobicContact CD2-CD2 3.85Å; F317-Y322 HydrophobicContact CE2-CD2 4.01Å; F317-Y322 HydrophobicContact CE2-CE2 4.48Å; F317-Y322 HydrophobicContact CG-CD2 4.04Å; F317-Y322 HydrophobicContact CZ-CD2 4.36Å; D320-Y322 VanDerWaalsContact C-N 3.31Å; D320-Y322 PolarHBondContact O-N 2.99Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 2.89Å; Y322-A325 PolarHBondContact O-N 3.16Å; Y322-L326 HydrophobicContact CD1-CD1 3.92Å; Y322-L326 HydrophobicContact CD2-CD1 4.48Å; Y322-L326 HydrophobicContact CE1-CD1 3.27Å; Y322-L326 HydrophobicContact CE2-CD1 3.92Å; Y322-L326 HydrophobicContact CG-CD1 4.49Å; Y322-L326 WeakPolarHBondContact O-CB 3.35Å; Y322-L326 PolarHBondContact O-N 2.75Å; Y322-L326 WeakPolarHBondContact OH-CD1 3.2Å
323	E	52.8	Low	52.3	Low	127 Å²	127	94.4 Å²	94.4	59%	0.593	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-40.6	176.3	-75.5	-170.3	155.5	0	0	111.9	D320 A325 L326 N327	D320-E323 PolarHBondContact O-N 3.29Å; E323-A325 VanDerWaalsContact C-N 3.34Å; E323-A325 PolarHBondContact O-N 2.96Å; E323-L326 PolarHBondContact O-N 3.14Å; E323-N327 VanDerWaalsContact O-CB 3.25Å; E323-N327 WeakPolarHBondContact O-CB 3.35Å; E323-N327 PolarHBondContact O-N 2.72Å; E323-N327 PolarHBondContact O-ND2 3.18Å
324	K	55.7	Low	52.2	Low	135 Å²	135	93.2 Å²	93.2	59%	0.587	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-39.4	174.1	-75.8	176.3	-178.4	171.5	0	112.5	D320 Y322 R328	D320-K324 WeakPolarHBondContact O-CG 3.34Å; D320-K324 PolarHBondContact O-N 2.88Å; Y322-K324 VanDerWaalsContact C-N 3.34Å; Y322-K324 PolarHBondContact O-N 2.89Å; K324-R328 WeakPolarHBondContact O-CB 3.19Å; K324-R328 VanDerWaalsContact O-CG 3.29Å; K324-R328 WeakPolarHBondContact O-CG 3.29Å; K324-R328 PolarHBondContact O-N 2.89Å; K324-R328 VanDerWaalsContact O-N 3.07Å
325	A	51.8	Low	51.5	Low	52 Å²	52	93.9 Å²	93.9	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-68.7	-40.8	176.9	0	0	0	0	0	112	S321 Y322 E323 G329	S321-A325 WeakPolarHBondContact O-CB 3.28Å; S321-A325 PolarHBondContact O-N 2.83Å; Y322-A325 PolarHBondContact O-N 3.16Å; E323-A325 VanDerWaalsContact C-N 3.34Å; E323-A325 PolarHBondContact O-N 2.96Å; A325-G329 PolarHBondContact O-N 2.99Å
326	L	44.6	Very low	50.8	Low	88 Å²	88	92.1 Å²	92.1	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-43	176.2	-119.1	142.2	0	0	0	112	Y322 E323 G329 S330	Y322-L326 HydrophobicContact CD1-CD1 3.92Å; Y322-L326 HydrophobicContact CD2-CD1 4.48Å; Y322-L326 HydrophobicContact CE1-CD1 3.27Å; Y322-L326 HydrophobicContact CE2-CD1 3.92Å; Y322-L326 HydrophobicContact CG-CD1 4.49Å; Y322-L326 WeakPolarHBondContact O-CB 3.35Å; Y322-L326 PolarHBondContact O-N 2.75Å; Y322-L326 WeakPolarHBondContact OH-CD1 3.2Å; E323-L326 PolarHBondContact O-N 3.14Å; L326-G329 PolarHBondContact O-N 2.89Å; L326-S330 VanDerWaalsContact O-CB 3.26Å; L326-S330 WeakPolarHBondContact O-CB 3.4Å; L326-S330 PolarHBondContact O-N 3.22Å; L326-S330 PolarHBondContact O-OG 3.27Å; L326-S330 VanDerWaalsContact O-OG 3.13Å
327	N	48.4	Very low	50.8	Low	98 Å²	98	92.9 Å²	92.9	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176.9	-72.5	-21.2	0	0	0	111.3	E323 G329 S330 E331	E323-N327 VanDerWaalsContact O-CB 3.25Å; E323-N327 WeakPolarHBondContact O-CB 3.35Å; E323-N327 PolarHBondContact O-N 2.72Å; E323-N327 PolarHBondContact O-ND2 3.18Å; N327-G329 VanDerWaalsContact C-N 3.33Å; N327-G329 PolarHBondContact O-N 2.87Å; N327-S330 WeakPolarHBondContact CA-OG 3.24Å; N327-S330 PolarHBondContact O-N 2.95Å; N327-S330 PolarHBondContact O-OG 2.81Å; N327-E331 PolarHBondContact O-N 3.01Å
328	R	46.6	Very low	50.4	Low	132 Å²	132	96.9 Å²	96.9	50%	0.498	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-35.2	173.7	-75.5	-179.2	-174.7	-156.5	5.5	113.7	K324 D502	K324-R328 WeakPolarHBondContact O-CB 3.19Å; K324-R328 VanDerWaalsContact O-CG 3.29Å; K324-R328 WeakPolarHBondContact O-CG 3.29Å; K324-R328 PolarHBondContact O-N 2.89Å; K324-R328 VanDerWaalsContact O-N 3.07Å; R328-D502 IonicContact NH1-OD1 3.81Å; R328-D502 PolarHBondContact NH1-OD1 3.08Å; R328-D502 IonicContact NH1-OD2 3.63Å; R328-D502 PolarHBondContact NH1-OD2 3Å
329	G	42.2	Very low	49.9	Very low	36 Å²	36	92.7 Å²	92.7	37%	0.371	48%	0.483	S	S	.	.	H	α-helix	trans	-74.4	-42.6	176.6	0	0	0	0	0	112.8	A325 L326 N327 K332 F333	A325-G329 PolarHBondContact O-N 2.99Å; L326-G329 PolarHBondContact O-N 2.89Å; N327-G329 VanDerWaalsContact C-N 3.33Å; N327-G329 PolarHBondContact O-N 2.87Å; G329-K332 PolarHBondContact O-N 2.9Å; G329-F333 WeakPolarHBondContact O-CB 3.27Å; G329-F333 PolarHBondContact O-N 3.36Å
330	S	42.5	Very low	49.4	Very low	59 Å²	59	90.7 Å²	90.7	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-68.8	-36	-175.1	67.7	0	0	0	0	113.8	L326 N327 G334	L326-S330 VanDerWaalsContact O-CB 3.26Å; L326-S330 WeakPolarHBondContact O-CB 3.4Å; L326-S330 PolarHBondContact O-N 3.22Å; L326-S330 PolarHBondContact O-OG 3.27Å; L326-S330 VanDerWaalsContact O-OG 3.13Å; N327-S330 WeakPolarHBondContact CA-OG 3.24Å; N327-S330 PolarHBondContact O-N 2.95Å; N327-S330 PolarHBondContact O-OG 2.81Å; S330-G334 PolarHBondContact O-N 2.87Å
331	E	49.9	Very low	49.5	Very low	131 Å²	131	89.2 Å²	89.2	61%	0.612	45%	0.454	S	S	*	.	H	α-helix	trans	-68.2	-37.6	174.7	-74.2	-174.5	174.5	0	0	112.6	N327 K335	N327-E331 PolarHBondContact O-N 3.01Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.99Å
332	K	47.7	Very low	49.8	Very low	109 Å²	109	92.5 Å²	92.5	47%	0.474	47%	0.465	S	S	.	.	H	α-helix	trans	-71.1	-42	176.8	-69.2	-179.4	-178	179.6	0	111	G329 I336	G329-K332 PolarHBondContact O-N 2.9Å; K332-I336 WeakPolarHBondContact O-CD1 3.39Å; K332-I336 WeakPolarHBondContact O-CG1 3.23Å; K332-I336 PolarHBondContact O-N 3.38Å; K332-I336 VanDerWaalsContact O-N 3.16Å
333	F	43.7	Very low	50.9	Low	151 Å²	151	90.7 Å²	90.7	66%	0.662	47%	0.465	S	S	*	.	H	α-helix	trans	-66.1	-43.1	176.1	-120.8	-95.6	0	0	0	112.6	G329 K335 I336 Q337	G329-F333 WeakPolarHBondContact O-CB 3.27Å; G329-F333 PolarHBondContact O-N 3.36Å; F333-K335 PolarHBondContact O-N 3.2Å; F333-I336 PolarHBondContact O-N 3.36Å; F333-Q337 VanDerWaalsContact O-CB 3.25Å; F333-Q337 WeakPolarHBondContact O-CB 3.42Å; F333-Q337 PolarHBondContact O-N 3.23Å
334	G	47.7	Very low	51.8	Low	36 Å²	36	90.1 Å²	90.1	37%	0.371	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-41.1	179.4	0	0	0	0	0	112.8	S330 Q338	S330-G334 PolarHBondContact O-N 2.87Å; G334-Q338 WeakPolarHBondContact O-CB 3.47Å; G334-Q338 PolarHBondContact O-N 2.72Å; G334-Q338 VanDerWaalsContact O-N 3.09Å
335	K	49.8	Very low	52.7	Low	127 Å²	127	85.9 Å²	85.9	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-66.8	-48.7	176.4	-71.4	173	-177.7	173.2	0	111.6	E331 F333 Q337 Q338 S339	E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.99Å; F333-K335 PolarHBondContact O-N 3.2Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.19Å; K335-Q338 PolarHBondContact O-N 3.14Å; K335-Q338 VanDerWaalsContact O-N 3.11Å; K335-S339 PolarHBondContact O-N 2.78Å; K335-S339 PolarHBondContact O-OG 3.32Å
336	I	50.9	Low	54	Low	56 Å²	56	86.6 Å²	86.6	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-41.3	178.4	-66.7	166.3	0	0	0	111.8	K332 F333 Q338 P487	K332-I336 WeakPolarHBondContact O-CD1 3.39Å; K332-I336 WeakPolarHBondContact O-CG1 3.23Å; K332-I336 PolarHBondContact O-N 3.38Å; K332-I336 VanDerWaalsContact O-N 3.16Å; F333-I336 PolarHBondContact O-N 3.36Å; I336-Q338 VanDerWaalsContact C-N 3.31Å; I336-Q338 PolarHBondContact O-N 3.33Å; I336-P487 HydrophobicContact CG2-CB 3.74Å
337	Q	47	Very low	55.7	Low	144 Å²	144	88.7 Å²	88.7	67%	0.673	44%	0.444	S	S	*	.	H	α-helix	trans	-65.4	-34.4	176.5	-174	179.2	-19.2	0	0	111.9	F333 K335 S341	F333-Q337 VanDerWaalsContact O-CB 3.25Å; F333-Q337 WeakPolarHBondContact O-CB 3.42Å; F333-Q337 PolarHBondContact O-N 3.23Å; K335-Q337 VanDerWaalsContact C-N 3.34Å; K335-Q337 PolarHBondContact O-N 3.19Å; Q337-S341 WeakPolarHBondContact O-CB 3.34Å; Q337-S341 PolarHBondContact O-N 3.1Å
338	Q	51.8	Low	57.5	Low	140 Å²	140	89 Å²	89	65%	0.654	44%	0.44	S	S	*	.	H	α-helix	trans	-75	-38.8	179.8	-161.3	167	6.1	0	0	112.2	G334 K335 I336 F340 S341	G334-Q338 WeakPolarHBondContact O-CB 3.47Å; G334-Q338 PolarHBondContact O-N 2.72Å; G334-Q338 VanDerWaalsContact O-N 3.09Å; K335-Q338 PolarHBondContact O-N 3.14Å; K335-Q338 VanDerWaalsContact O-N 3.11Å; I336-Q338 VanDerWaalsContact C-N 3.31Å; I336-Q338 PolarHBondContact O-N 3.33Å; Q338-F340 PolarHBondContact O-N 2.82Å; Q338-F340 VanDerWaalsContact O-N 3.14Å; Q338-S341 PolarHBondContact O-N 3.14Å; Q338-S341 PolarHBondContact O-OG 3.24Å
339	S	51.7	Low	59.4	Low	2 Å²	2	83 Å²	83	1%	0.014	42%	0.418	C	S	.	.	H	α-helix	trans	-58.1	-26.5	-177.3	-54.8	0	0	0	0	115.4	K335 R345 E471	K335-S339 PolarHBondContact O-N 2.78Å; K335-S339 PolarHBondContact O-OG 3.32Å; S339-R345 PolarHBondContact O-NH1 2.89Å; S339-R345 PolarHBondContact O-NH2 3.44Å; S339-R345 VanDerWaalsContact O-NH2 3.13Å; S339-E471 VanDerWaalsContact CA-OE1 3.29Å; S339-E471 WeakPolarHBondContact CA-OE1 3.49Å; S339-E471 WeakPolarHBondContact CB-OE1 3.09Å; S339-E471 WeakPolarHBondContact CB-OE2 3.34Å; S339-E471 WeakPolarHBondContact OG-CG 3.01Å; S339-E471 PolarHBondContact OG-OE1 3.16Å
340	F	54.1	Low	61.7	Low	25 Å²	25	86 Å²	86	11%	0.11	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	16.1	178.4	-57.9	-90.9	0	0	0	113.2	Q338 E342 I346 L349 C473 P487	Q338-F340 PolarHBondContact O-N 2.82Å; Q338-F340 VanDerWaalsContact O-N 3.14Å; F340-E342 PolarHBondContact O-N 3.33Å; F340-I346 HydrophobicContact CB-CD1 4.49Å; F340-I346 HydrophobicContact CB-CG1 4.33Å; F340-I346 WeakPolarHBondContact O-CD1 3.22Å; F340-L349 HydrophobicContact CD1-CD1 3.64Å; F340-L349 HydrophobicContact CE1-CD1 3.45Å; F340-L349 VanDerWaalsContact CE1-CD1 3.45Å; F340-C473 HydrophobicContact CE1-CB 3.59Å; F340-C473 WeakPolarHBondContact CE1-SG 3.12Å; F340-C473 HydrophobicContact CZ-CB 3.46Å; F340-C473 VanDerWaalsContact CZ-CB 3.46Å; F340-P487 HydrophobicContact CD2-CB 3.36Å; F340-P487 HydrophobicContact CD2-CG 3.59Å; F340-P487 HydrophobicContact CE2-CB 3.37Å; F340-P487 HydrophobicContact CE2-CG 3.88Å; F340-P487 HydrophobicContact CG-CB 4.24Å; F340-P487 HydrophobicContact CG-CG 3.97Å; F340-P487 HydrophobicContact CZ-CB 4.25Å; F340-P487 HydrophobicContact CZ-CG 4.48Å
341	S	56.8	Low	64	Low	80 Å²	80	87.7 Å²	87.7	56%	0.559	43%	0.433	S	S	*	.			trans	-67.9	-21	174.5	62.5	0	0	0	0	113.1	Q337 Q338 V343	Q337-S341 WeakPolarHBondContact O-CB 3.34Å; Q337-S341 PolarHBondContact O-N 3.1Å; Q338-S341 PolarHBondContact O-N 3.14Å; Q338-S341 PolarHBondContact O-OG 3.24Å; S341-V343 PolarHBondContact O-N 3.01Å
342	E	63.8	Low	66	Low	108 Å²	108	82.5 Å²	82.5	51%	0.505	41%	0.409	S	S	.	.			trans	-81.7	111.4	179.2	-63	-176.3	176.2	0	0	111.9	F340 H344 R345 I346	F340-E342 PolarHBondContact O-N 3.33Å; E342-H344 PolarHBondContact O-N 3.4Å; E342-H344 VanDerWaalsContact O-N 3.11Å; E342-R345 HydrophobicContact CB-CB 4.31Å; E342-R345 HydrophobicContact CB-CG 4Å; E342-R345 WeakPolarHBondContact O-CB 3.22Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 WeakPolarHBondContact OE2-CD 3.32Å; E342-R345 WeakPolarHBondContact OE2-CG 3.32Å; E342-I346 PolarHBondContact O-N 3.48Å
343	V	69.3	Low	68.2	Low	68 Å²	68	77.5 Å²	77.5	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-53.6	-35.8	-179.7	176.1	0	0	0	0	112.9	I270 S341 R345 I346 K347	I270-V343 HydrophobicContact CD1-CG2 3.7Å; S341-V343 PolarHBondContact O-N 3.01Å; V343-R345 PolarHBondContact O-N 3.11Å; V343-I346 PolarHBondContact O-N 3.09Å; V343-K347 HydrophobicContact CG1-CD 4.15Å; V343-K347 HydrophobicContact CG1-CG 4.4Å; V343-K347 WeakPolarHBondContact O-CB 3.31Å; V343-K347 WeakPolarHBondContact O-CG 3.48Å; V343-K347 PolarHBondContact O-N 3.47Å
344	H	71.5	Confident	70.6	Confident	115 Å²	115	75.7 Å²	75.7	53%	0.532	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-39.2	177.5	177.8	58.1	0	0	0	112.8	E342 K347 K348	E342-H344 PolarHBondContact O-N 3.4Å; E342-H344 VanDerWaalsContact O-N 3.11Å; H344-K347 PolarHBondContact O-N 2.82Å; H344-K348 VanDerWaalsContact CE1-CE 3.48Å; H344-K348 WeakPolarHBondContact CE1-CE 3.33Å; H344-K348 WeakPolarHBondContact NE2-CE 3.26Å; H344-K348 PolarHBondContact NE2-NZ 2.73Å; H344-K348 PolarHBondContact O-N 2.6Å
345	R	74.8	Confident	72.9	Confident	46 Å²	46	74.1 Å²	74.1	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-44.5	178.5	-66.4	-179.5	61.8	-179.1	-12.1	110.8	S339 E342 V343 K347 K348 L349 E471 A557	S339-R345 PolarHBondContact O-NH1 2.89Å; S339-R345 PolarHBondContact O-NH2 3.44Å; S339-R345 VanDerWaalsContact O-NH2 3.13Å; E342-R345 HydrophobicContact CB-CB 4.31Å; E342-R345 HydrophobicContact CB-CG 4Å; E342-R345 WeakPolarHBondContact O-CB 3.22Å; E342-R345 PolarHBondContact O-N 3.22Å; E342-R345 WeakPolarHBondContact OE2-CD 3.32Å; E342-R345 WeakPolarHBondContact OE2-CG 3.32Å; V343-R345 PolarHBondContact O-N 3.11Å; R345-K347 PolarHBondContact O-N 2.73Å; R345-K348 PolarHBondContact O-N 2.9Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 2.83Å; R345-E471 IonicContact CZ-OE2 3.81Å; R345-E471 IonicContact NH1-OE2 2.83Å; R345-E471 PolarHBondContact NH1-OE2 2.85Å; R345-E471 IonicContact NH2-OE2 2.9Å; R345-E471 PolarHBondContact NH2-OE2 2.72Å; R345-A557 PolarHBondContact NE-O 3.06Å; R345-A557 VanDerWaalsContact NE-O 3.16Å; R345-A557 PolarHBondContact NH2-O 2.95Å; R345-A557 VanDerWaalsContact NH2-O 3.08Å
346	I	78.3	Confident	75.2	Confident	68 Å²	68	68 Å²	68	35%	0.349	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-45.5	173.6	-65.6	174.4	0	0	0	110.9	F340 E342 V343 K348 L349 L350	F340-I346 HydrophobicContact CB-CD1 4.49Å; F340-I346 HydrophobicContact CB-CG1 4.33Å; F340-I346 WeakPolarHBondContact O-CD1 3.22Å; E342-I346 PolarHBondContact O-N 3.48Å; V343-I346 PolarHBondContact O-N 3.09Å; I346-K348 VanDerWaalsContact C-N 3.32Å; I346-K348 PolarHBondContact O-N 2.9Å; I346-L349 PolarHBondContact O-N 2.82Å; I346-L349 VanDerWaalsContact O-N 3.15Å; I346-L350 HydrophobicContact CG2-CD1 3.92Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 WeakPolarHBondContact O-CG 3.3Å; I346-L350 PolarHBondContact O-N 2.79Å
347	K	80.8	Confident	77.4	Confident	132 Å²	132	65.4 Å²	65.4	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-57.6	-43.7	177.9	-77.8	176	177.3	-179.9	0	112.1	V343 H344 R345 L350 V351	V343-K347 HydrophobicContact CG1-CD 4.15Å; V343-K347 HydrophobicContact CG1-CG 4.4Å; V343-K347 WeakPolarHBondContact O-CB 3.31Å; V343-K347 WeakPolarHBondContact O-CG 3.48Å; V343-K347 PolarHBondContact O-N 3.47Å; H344-K347 PolarHBondContact O-N 2.82Å; R345-K347 PolarHBondContact O-N 2.73Å; K347-L350 PolarHBondContact O-N 3.27Å; K347-V351 WeakPolarHBondContact O-CG2 3.49Å; K347-V351 PolarHBondContact O-N 2.9Å; K347-V351 VanDerWaalsContact O-N 3.09Å
348	K	85.6	Confident	79.7	Confident	103 Å²	103	59.1 Å²	59.1	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-46.4	174.6	-77	178.2	167.1	179.5	0	111.9	H344 R345 I346 L350 V351 M352	H344-K348 VanDerWaalsContact CE1-CE 3.48Å; H344-K348 WeakPolarHBondContact CE1-CE 3.33Å; H344-K348 WeakPolarHBondContact NE2-CE 3.26Å; H344-K348 PolarHBondContact NE2-NZ 2.73Å; H344-K348 PolarHBondContact O-N 2.6Å; R345-K348 PolarHBondContact O-N 2.9Å; I346-K348 VanDerWaalsContact C-N 3.32Å; I346-K348 PolarHBondContact O-N 2.9Å; K348-L350 VanDerWaalsContact C-N 3.33Å; K348-L350 PolarHBondContact O-N 2.87Å; K348-V351 PolarHBondContact O-N 2.74Å; K348-M352 HydrophobicContact CB-CE 4.47Å; K348-M352 WeakPolarHBondContact O-CG 3.34Å; K348-M352 PolarHBondContact O-N 3.31Å
349	L	88.3	Confident	81.9	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-40	178.1	-71.7	161.6	0	0	0	112.2	F340 R345 I346 V351 M352 G353 C473 I475 F555	F340-L349 HydrophobicContact CD1-CD1 3.64Å; F340-L349 HydrophobicContact CE1-CD1 3.45Å; F340-L349 VanDerWaalsContact CE1-CD1 3.45Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 2.83Å; I346-L349 PolarHBondContact O-N 2.82Å; I346-L349 VanDerWaalsContact O-N 3.15Å; L349-V351 VanDerWaalsContact C-N 3.33Å; L349-V351 PolarHBondContact O-N 2.92Å; L349-M352 HydrophobicContact CD2-CE 3.86Å; L349-M352 HydrophobicContact CG-CE 4.32Å; L349-M352 PolarHBondContact O-N 3.08Å; L349-G353 WeakPolarHBondContact O-CA 3.46Å; L349-G353 PolarHBondContact O-N 2.92Å; L349-C473 HydrophobicContact CD2-CB 4.32Å; L349-I475 HydrophobicContact CB-CD1 4.2Å; L349-I475 HydrophobicContact CD2-CD1 4.24Å; L349-F555 HydrophobicContact CD2-CB 3.84Å; L349-F555 HydrophobicContact CD2-CD1 3.89Å; L349-F555 HydrophobicContact CD2-CD2 3.98Å; L349-F555 HydrophobicContact CD2-CE1 4.47Å; L349-F555 HydrophobicContact CD2-CG 3.62Å
350	L	88.7	Confident	84	Confident	98 Å²	98	54.1 Å²	54.1	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-37.2	175.7	-69.3	173.3	0	0	0	112.2	I346 K347 K348 I485	I346-L350 HydrophobicContact CG2-CD1 3.92Å; I346-L350 HydrophobicContact CG2-CG 4.16Å; I346-L350 WeakPolarHBondContact O-CG 3.3Å; I346-L350 PolarHBondContact O-N 2.79Å; K347-L350 PolarHBondContact O-N 3.27Å; K348-L350 VanDerWaalsContact C-N 3.33Å; K348-L350 PolarHBondContact O-N 2.87Å; L350-I485 HydrophobicContact CD2-CD1 3.88Å
351	V	90.8	Very high	85.8	Confident	95 Å²	95	53 Å²	53	58%	0.576	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-47	174.3	171.8	0	0	0	0	110.6	K347 K348 L349 K354	K347-V351 WeakPolarHBondContact O-CG2 3.49Å; K347-V351 PolarHBondContact O-N 2.9Å; K347-V351 VanDerWaalsContact O-N 3.09Å; K348-V351 PolarHBondContact O-N 2.74Å; L349-V351 VanDerWaalsContact C-N 3.33Å; L349-V351 PolarHBondContact O-N 2.92Å; V351-K354 WeakPolarHBondContact O-CB 3.24Å; V351-K354 WeakPolarHBondContact O-CG 3.38Å; V351-K354 PolarHBondContact O-N 2.9Å
352	M	92.9	Very high	87.3	Confident	22 Å²	22	54.9 Å²	54.9	11%	0.108	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-35.8	178.8	-65.5	-177.1	-62	0	0	112.4	K348 L349 K354 S355 L459 R462 F555 G559	K348-M352 HydrophobicContact CB-CE 4.47Å; K348-M352 WeakPolarHBondContact O-CG 3.34Å; K348-M352 PolarHBondContact O-N 3.31Å; L349-M352 HydrophobicContact CD2-CE 3.86Å; L349-M352 HydrophobicContact CG-CE 4.32Å; L349-M352 PolarHBondContact O-N 3.08Å; M352-K354 PolarHBondContact O-N 3.48Å; M352-S355 VanDerWaalsContact O-CB 3.29Å; M352-S355 WeakPolarHBondContact O-CB 3.3Å; M352-S355 PolarHBondContact O-N 2.97Å; M352-L459 HydrophobicContact CB-CD2 3.97Å; M352-L459 HydrophobicContact CG-CD2 4.21Å; M352-R462 HydrophobicContact SD-CG 4.45Å; M352-F555 HydrophobicContact CB-CE1 3.8Å; M352-F555 HydrophobicContact CB-CZ 4.08Å; M352-F555 HydrophobicContact CE-CD1 3.56Å; M352-F555 HydrophobicContact CE-CE1 3.55Å; M352-F555 HydrophobicContact CG-CE1 4.37Å; M352-F555 HydrophobicContact SD-CD1 4.13Å; M352-F555 HydrophobicContact SD-CE1 3.74Å; M352-G559 VanDerWaalsContact SD-O 3.33Å
353	G	93.7	Very high	88.2	Confident	4 Å²	4	56.3 Å²	56.3	4%	0.041	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.8	177.3	0	0	0	0	0	114.4	L349 S355 V356 K483	L349-G353 WeakPolarHBondContact O-CA 3.46Å; L349-G353 PolarHBondContact O-N 2.92Å; G353-S355 VanDerWaalsContact C-N 3.25Å; G353-S355 PolarHBondContact O-N 3.06Å; G353-V356 PolarHBondContact O-N 3.33Å; G353-K483 WeakPolarHBondContact O-CE 3.46Å; G353-K483 PolarHBondContact O-NZ 2.68Å; G353-K483 VanDerWaalsContact O-NZ 3.11Å
354	K	94.3	Very high	89.1	Confident	114 Å²	114	57.2 Å²	57.2	50%	0.496	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.1	168	-65.9	-179.3	179.8	179.9	0	112.3	V351 M352 V356 P456	V351-K354 WeakPolarHBondContact O-CB 3.24Å; V351-K354 WeakPolarHBondContact O-CG 3.38Å; V351-K354 PolarHBondContact O-N 2.9Å; M352-K354 PolarHBondContact O-N 3.48Å; K354-V356 VanDerWaalsContact C-N 3.27Å; K354-P456 HydrophobicContact CB-CB 4.38Å; K354-P456 WeakPolarHBondContact O-CB 3.34Å; K354-P456 VanDerWaalsContact O-CG 3.25Å; K354-P456 WeakPolarHBondContact O-CG 3.11Å
355	S	96.6	Very high	90	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	26%	0.263	C	S	.	.	S	Bend	trans	-71.6	-22.3	176.5	179.2	0	0	0	0	112.9	M352 G353 C357 F370 V371 F403 P457	M352-S355 VanDerWaalsContact O-CB 3.29Å; M352-S355 WeakPolarHBondContact O-CB 3.3Å; M352-S355 PolarHBondContact O-N 2.97Å; G353-S355 VanDerWaalsContact C-N 3.25Å; G353-S355 PolarHBondContact O-N 3.06Å; S355-C357 PolarHBondContact O-N 3.03Å; S355-F370 VanDerWaalsContact O-CA 3.32Å; S355-F370 WeakPolarHBondContact O-CA 3.23Å; S355-V371 PolarHBondContact O-N 3.06Å; S355-V371 VanDerWaalsContact O-N 3.13Å; S355-V371 WeakPolarHBondContact OG-CA 3.41Å; S355-V371 VanDerWaalsContact OG-CB 3.27Å; S355-V371 WeakPolarHBondContact OG-CB 3.18Å; S355-V371 PolarHBondContact OG-N 3.29Å; S355-V371 PolarHBondContact OG-O 2.83Å; S355-F403 WeakPolarHBondContact O-CE1 3.13Å; S355-P457 VanDerWaalsContact CB-O 3.23Å; S355-P457 WeakPolarHBondContact CB-O 3.27Å; S355-P457 PolarHBondContact OG-O 3.21Å
356	V	97.7	Very high	90.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.3	-179.8	-177.4	0	0	0	0	109.9	G353 K354 T368 G369 F370 I475 K483 P553	G353-V356 PolarHBondContact O-N 3.33Å; K354-V356 VanDerWaalsContact C-N 3.27Å; V356-T368 HydrophobicContact CG1-CG2 3.58Å; V356-G369 WeakPolarHBondContact CA-O 3.49Å; V356-F370 HydrophobicContact CG2-CB 4.35Å; V356-I475 HydrophobicContact CB-CG2 4.26Å; V356-I475 HydrophobicContact CG1-CG2 4.34Å; V356-I475 HydrophobicContact CG2-CB 4.19Å; V356-I475 HydrophobicContact CG2-CG2 3.93Å; V356-K483 HydrophobicContact CB-CD 4.01Å; V356-K483 HydrophobicContact CG1-CD 4.1Å; V356-P553 HydrophobicContact CG2-CG 3.58Å
357	C	96.8	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.4	177.5	58.3	0	0	0	0	112.1	S355 T368 G369 A401 L402 F403	S355-C357 PolarHBondContact O-N 3.03Å; C357-T368 WeakPolarHBondContact O-CA 3.26Å; C357-G369 PolarHBondContact N-O 3.44Å; C357-G369 PolarHBondContact O-N 2.7Å; C357-G369 PolarHBondContact SG-O 2.8Å; C357-G369 VanDerWaalsContact SG-O 3.41Å; C357-A401 HydrophobicContact CB-CB 4.31Å; C357-L402 CarbonylContact C-O 3.58Å; C357-L402 WeakPolarHBondContact CA-O 3.34Å; C357-L402 VanDerWaalsContact CB-O 3.23Å; C357-L402 WeakPolarHBondContact CB-O 3.37Å; C357-F403 HydrophobicContact CB-CD1 3.67Å; C357-F403 HydrophobicContact CB-CD2 4.27Å; C357-F403 HydrophobicContact CB-CE1 3.53Å; C357-F403 HydrophobicContact CB-CE2 4.13Å; C357-F403 HydrophobicContact CB-CG 4.05Å; C357-F403 HydrophobicContact CB-CZ 3.77Å
358	K	96.4	Very high	92.6	Very high	13 Å²	13	45.6 Å²	45.6	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.9	163.6	177.9	179.6	176.3	179.2	0	108.6	E366 L402 Y405 H477 G480	K358-E366 VanDerWaalsContact CE-OE1 3.22Å; K358-E366 WeakPolarHBondContact CE-OE1 3.41Å; K358-E366 VanDerWaalsContact CE-OE2 3.26Å; K358-E366 WeakPolarHBondContact CE-OE2 3.29Å; K358-E366 IonicContact NZ-OE1 2.83Å; K358-E366 PolarHBondContact NZ-OE1 3.27Å; K358-E366 IonicContact NZ-OE2 3.58Å; K358-E366 PolarHBondContact NZ-OE2 2.91Å; K358-L402 HydrophobicContact CB-CB 4.2Å; K358-L402 PolarHBondContact N-O 3.03Å; K358-L402 PolarHBondContact O-N 2.78Å; K358-Y405 HydrophobicContact CD-CD1 4.33Å; K358-Y405 HydrophobicContact CD-CE1 4.46Å; K358-H477 HydrophobicContact CB-CB 4.18Å; K358-H477 HydrophobicContact CG-CB 4.31Å; K358-H477 PolarHBondContact N-CD2 3.37Å; K358-H477 VanDerWaalsContact N-CD2 3.33Å; K358-H477 PolarHBondContact N-NE2 2.63Å; K358-G480 WeakPolarHBondContact CD-O 3.48Å; K358-G480 WeakPolarHBondContact CE-O 3.43Å; K358-G480 PolarHBondContact NZ-O 3.46Å
359	I	97.1	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.9	170.2	-58.8	-59.7	0	0	0	108	V361 E366 G367 V377 L383 V399 A401 L435	I359-V361 HydrophobicContact CG2-CG2 4.28Å; I359-E366 CarbonylContact O-C 3.57Å; I359-E366 WeakPolarHBondContact O-CA 3.19Å; I359-G367 PolarHBondContact N-O 3.48Å; I359-G367 PolarHBondContact O-N 3.09Å; I359-V377 HydrophobicContact CD1-CG1 4Å; I359-L383 HydrophobicContact CB-CD1 4.39Å; I359-L383 HydrophobicContact CG2-CD1 4.24Å; I359-V399 HydrophobicContact CG2-CG1 4.08Å; I359-A401 HydrophobicContact CD1-CB 4.09Å; I359-L435 HydrophobicContact CD1-CD1 4.09Å
360	N	95	Very high	93.6	Very high	37 Å²	37	40.3 Å²	40.3	20%	0.198	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.7	173.4	-176.6	18.2	0	0	0	108.9	V399 Y400 L402	N360-V399 WeakPolarHBondContact O-CA 3.34Å; N360-Y400 PolarHBondContact N-O 2.84Å; N360-Y400 PolarHBondContact O-N 2.89Å; N360-L402 HydrophobicContact CB-CD1 4.1Å
361	V	93.8	Very high	94.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.7	168.3	-171.8	0	0	0	0	106.1	I359 D363 I364 C365 F384 I397 V399	I359-V361 HydrophobicContact CG2-CG2 4.28Å; V361-D363 PolarHBondContact O-N 2.95Å; V361-I364 HydrophobicContact CB-CB 4.38Å; V361-I364 HydrophobicContact CG1-CB 4.05Å; V361-I364 HydrophobicContact CG1-CD1 3.88Å; V361-I364 HydrophobicContact CG1-CG1 4.47Å; V361-I364 PolarHBondContact O-N 3.41Å; V361-C365 PolarHBondContact N-O 3.39Å; V361-C365 PolarHBondContact O-N 3.4Å; V361-F384 HydrophobicContact CG2-CD1 4.21Å; V361-F384 HydrophobicContact CG2-CE1 3.8Å; V361-I397 HydrophobicContact CG1-CG2 3.88Å; V361-V399 HydrophobicContact CG1-CG2 4.37Å; V361-V399 HydrophobicContact CG2-CG2 4.4Å
362	Y	86.7	Confident	94.4	Very high	119 Å²	119	31.3 Å²	31.3	47%	0.467	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	128.8	-166.4	-170.3	-93.8	0	0	0	112.1	I364 N398 Y400	Y362-I364 PolarHBondContact O-N 3.41Å; Y362-N398 VanDerWaalsContact CB-O 3.32Å; Y362-N398 WeakPolarHBondContact CB-O 3.35Å; Y362-N398 PolarHBondContact N-O 3.09Å; Y362-Y400 HydrophobicContact CD2-CE2 4.11Å; Y362-Y400 HydrophobicContact CG-CE2 4.46Å
363	D	82.6	Confident	94.6	Very high	139 Å²	139	31.1 Å²	31.1	74%	0.743	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	13.7	-177.7	-68.4	-19.5	0	0	0	116.5	V361	V361-D363 PolarHBondContact O-N 2.95Å
364	I	89	Confident	94.6	Very high	87 Å²	87	35.5 Å²	35.5	45%	0.446	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-64.3	-176.3	-61.6	168.2	0	0	0	111.8	V361 Y362 C387 I397	V361-I364 HydrophobicContact CB-CB 4.38Å; V361-I364 HydrophobicContact CG1-CB 4.05Å; V361-I364 HydrophobicContact CG1-CD1 3.88Å; V361-I364 HydrophobicContact CG1-CG1 4.47Å; V361-I364 PolarHBondContact O-N 3.41Å; Y362-I364 PolarHBondContact O-N 3.41Å; I364-C387 WeakPolarHBondContact CD1-SG 3.34Å; I364-I397 HydrophobicContact CD1-CD1 3.26Å
365	C	91.3	Very high	94.7	Very high	40 Å²	40	33.4 Å²	33.4	27%	0.27	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	165.3	-174.7	72.8	0	0	0	0	112.2	V361 L383	V361-C365 PolarHBondContact N-O 3.39Å; V361-C365 PolarHBondContact O-N 3.4Å; C365-L383 PolarHBondContact SG-O 2.76Å
366	E	93.6	Very high	94.8	Very high	76 Å²	76	33.4 Å²	33.4	36%	0.355	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.5	176.3	-57.1	-174	141.1	0	0	109.2	K358 I359 G480	K358-E366 VanDerWaalsContact CE-OE1 3.22Å; K358-E366 WeakPolarHBondContact CE-OE1 3.41Å; K358-E366 VanDerWaalsContact CE-OE2 3.26Å; K358-E366 WeakPolarHBondContact CE-OE2 3.29Å; K358-E366 IonicContact NZ-OE1 2.83Å; K358-E366 PolarHBondContact NZ-OE1 3.27Å; K358-E366 IonicContact NZ-OE2 3.58Å; K358-E366 PolarHBondContact NZ-OE2 2.91Å; I359-E366 CarbonylContact O-C 3.57Å; I359-E366 WeakPolarHBondContact O-CA 3.19Å; E366-G480 WeakPolarHBondContact OE2-CA 3.31Å
367	G	95	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-169.8	179.9	0	0	0	0	0	111.6	I359 G548	I359-G367 PolarHBondContact N-O 3.48Å; I359-G367 PolarHBondContact O-N 3.09Å; G367-G548 CarbonylContact C-O 3.55Å; G367-G548 VanDerWaalsContact CA-O 3.27Å; G367-G548 WeakPolarHBondContact CA-O 3.37Å
368	T	97.9	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.7	174.2	-59.1	0	0	0	0	108.8	V356 C357 T379 H477 G548 S550 G551 S552	V356-T368 HydrophobicContact CG1-CG2 3.58Å; C357-T368 WeakPolarHBondContact O-CA 3.26Å; T368-T379 PolarHBondContact O-OG1 3.4Å; T368-H477 PolarHBondContact OG1-N 2.88Å; T368-G548 PolarHBondContact N-O 3.06Å; T368-G548 PolarHBondContact OG1-O 2.9Å; T368-S550 WeakPolarHBondContact CA-O 3.19Å; T368-S550 PolarHBondContact N-O 3.39Å; T368-G551 CarbonylContact O-C 3.53Å; T368-G551 WeakPolarHBondContact O-CA 3.4Å; T368-S552 WeakPolarHBondContact CG2-OG 3.45Å
369	G	98.1	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	175.9	167.5	0	0	0	0	0	109.3	V356 C357 L378	V356-G369 WeakPolarHBondContact CA-O 3.49Å; C357-G369 PolarHBondContact N-O 3.44Å; C357-G369 PolarHBondContact O-N 2.7Å; C357-G369 PolarHBondContact SG-O 2.8Å; C357-G369 VanDerWaalsContact SG-O 3.41Å; G369-L378 VanDerWaalsContact CA-O 3.22Å; G369-L378 WeakPolarHBondContact CA-O 3.38Å
370	F	98.5	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.8	173.2	61.4	-85.7	0	0	0	111.2	S355 V356 L372 V377 L378 L459 F463 P553 I564 L587	S355-F370 VanDerWaalsContact O-CA 3.32Å; S355-F370 WeakPolarHBondContact O-CA 3.23Å; V356-F370 HydrophobicContact CG2-CB 4.35Å; F370-L372 PolarHBondContact O-N 3.07Å; F370-V377 CarbonylContact O-C 3.2Å; F370-V377 WeakPolarHBondContact O-CA 3.44Å; F370-L378 HydrophobicContact CE1-CB 4.37Å; F370-L378 HydrophobicContact CE1-CD2 4.25Å; F370-L378 HydrophobicContact CE2-CB 4.38Å; F370-L378 HydrophobicContact CE2-CD2 4.39Å; F370-L378 HydrophobicContact CZ-CB 4.18Å; F370-L378 HydrophobicContact CZ-CD2 3.72Å; F370-L378 HydrophobicContact CZ-CG 4.37Å; F370-L378 PolarHBondContact N-O 3.32Å; F370-L378 PolarHBondContact O-N 3.22Å; F370-L459 HydrophobicContact CB-CD1 4.11Å; F370-L459 HydrophobicContact CD2-CB 4.15Å; F370-L459 HydrophobicContact CD2-CD1 3.79Å; F370-L459 HydrophobicContact CD2-CG 4.32Å; F370-L459 HydrophobicContact CE2-CB 4.38Å; F370-L459 HydrophobicContact CG-CD1 4.18Å; F370-F463 HydrophobicContact CE2-CE1 4.13Å; F370-F463 HydrophobicContact CE2-CZ 4.43Å; F370-F463 HydrophobicContact CZ-CE1 4.47Å; F370-P553 HydrophobicContact CB-CG 4.23Å; F370-P553 HydrophobicContact CD1-CB 3.83Å; F370-P553 HydrophobicContact CD1-CG 3.91Å; F370-P553 HydrophobicContact CE1-CB 3.9Å; F370-P553 HydrophobicContact CE1-CG 4.47Å; F370-P553 HydrophobicContact CG-CB 4.23Å; F370-P553 HydrophobicContact CG-CG 4.13Å; F370-P553 HydrophobicContact CZ-CB 4.37Å; F370-I564 HydrophobicContact CE1-CD1 4.27Å; F370-I564 HydrophobicContact CE1-CG1 4.39Å; F370-L587 HydrophobicContact CZ-CD1 4.1Å; F370-L587 HydrophobicContact CZ-CD2 4.04Å
371	V	98.3	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	119.6	176.1	-171.3	0	0	0	0	108.3	S355 F376 V377 F403 V455 G458 L459	S355-V371 PolarHBondContact O-N 3.06Å; S355-V371 VanDerWaalsContact O-N 3.13Å; S355-V371 WeakPolarHBondContact OG-CA 3.41Å; S355-V371 VanDerWaalsContact OG-CB 3.27Å; S355-V371 WeakPolarHBondContact OG-CB 3.18Å; S355-V371 PolarHBondContact OG-N 3.29Å; S355-V371 PolarHBondContact OG-O 2.83Å; V371-F376 CarbonylContact C-O 3.54Å; V371-F376 WeakPolarHBondContact CA-O 3.25Å; V371-V377 HydrophobicContact CG2-CG2 4.46Å; V371-F403 HydrophobicContact CG2-CE1 3.57Å; V371-F403 HydrophobicContact CG2-CZ 3.73Å; V371-V455 HydrophobicContact CB-CG1 4.44Å; V371-V455 HydrophobicContact CG1-CG1 3.92Å; V371-V455 HydrophobicContact CG2-CG1 3.6Å; V371-G458 CarbonylContact O-C 3.55Å; V371-G458 VanDerWaalsContact O-CA 3.26Å; V371-G458 WeakPolarHBondContact O-CA 3.09Å; V371-L459 PolarHBondContact O-N 3.15Å
372	L	97.6	Very high	95.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-62.1	173.5	-169	63.5	0	0	0	108.5	F370 F376 L378 G458 L459 L460 F463 F594	F370-L372 PolarHBondContact O-N 3.07Å; L372-F376 PolarHBondContact N-O 2.85Å; L372-L378 HydrophobicContact CB-CB 4.37Å; L372-L378 HydrophobicContact CD1-CB 4.29Å; L372-L378 HydrophobicContact CD1-CD2 4.19Å; L372-G458 CarbonylContact O-C 3.59Å; L372-G458 VanDerWaalsContact O-CA 3.31Å; L372-G458 WeakPolarHBondContact O-CA 3.48Å; L372-L459 PolarHBondContact O-N 3.48Å; L372-L460 HydrophobicContact CD1-CB 4.35Å; L372-L460 HydrophobicContact CD1-CD1 3.79Å; L372-L460 HydrophobicContact CG-CB 4.45Å; L372-L460 HydrophobicContact CG-CD1 4.2Å; L372-L460 VanDerWaalsContact O-CB 3.23Å; L372-L460 WeakPolarHBondContact O-CB 3.44Å; L372-L460 PolarHBondContact O-N 3.34Å; L372-F463 HydrophobicContact CD1-CE1 4.03Å; L372-F463 HydrophobicContact CD1-CE2 4.2Å; L372-F463 HydrophobicContact CD1-CZ 3.41Å; L372-F463 VanDerWaalsContact CD1-CZ 3.41Å; L372-F594 HydrophobicContact CD2-CE1 4.4Å
373	F	96.5	Very high	95.6	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.3	170.5	62.3	-85.3	0	0	0	109.9	R375 F376 L460 M606 K609 V610 A613	F373-R375 PolarHBondContact O-N 2.84Å; F373-F376 AromaticContact CD2-CD2 3.82Å; F373-F376 HydrophobicContact CD2-CD2 3.82Å; F373-F376 HydrophobicContact CD2-CE2 4.34Å; F373-F376 HydrophobicContact CE1-CD2 4.38Å; F373-F376 AromaticContact CE2-CD2 3.42Å; F373-F376 HydrophobicContact CE2-CD2 3.42Å; F373-F376 VanDerWaalsContact CE2-CD2 3.42Å; F373-F376 AromaticContact CE2-CE2 3.68Å; F373-F376 HydrophobicContact CE2-CE2 3.68Å; F373-F376 HydrophobicContact CE2-CG 4.42Å; F373-F376 HydrophobicContact CG-CD2 4.46Å; F373-F376 AromaticContact CZ-CD2 3.76Å; F373-F376 HydrophobicContact CZ-CD2 3.76Å; F373-F376 HydrophobicContact CZ-CE2 4.17Å; F373-F376 HydrophobicContact CZ-CG 4.37Å; F373-F376 WeakPolarHBondContact O-CB 3Å; F373-F376 WeakPolarHBondContact O-CD2 3.29Å; F373-F376 PolarHBondContact O-N 3.31Å; F373-L460 HydrophobicContact CB-CB 4.48Å; F373-L460 HydrophobicContact CD1-CD2 3.78Å; F373-L460 HydrophobicContact CE1-CD2 4.31Å; F373-L460 HydrophobicContact CG-CD2 4.42Å; F373-M606 HydrophobicContact CE1-CE 4.06Å; F373-M606 HydrophobicContact CE2-CE 4.12Å; F373-M606 HydrophobicContact CZ-CE 3.33Å; F373-M606 HydrophobicContact CZ-SD 4.27Å; F373-K609 HydrophobicContact CE2-CB 3.97Å; F373-V610 HydrophobicContact CE1-CG2 3.83Å; F373-V610 HydrophobicContact CZ-CB 4.5Å; F373-V610 HydrophobicContact CZ-CG2 3.58Å; F373-A613 HydrophobicContact CB-CB 3.81Å; F373-A613 HydrophobicContact CD1-CB 4.27Å; F373-A613 HydrophobicContact CD2-CB 3.89Å; F373-A613 HydrophobicContact CG-CB 3.74Å
374	D	94.9	Very high	96.2	Very high	97 Å²	97	22.6 Å²	22.6	52%	0.519	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-108	-178.9	-178	31.7	0	0	0	113	F376 V455	D374-F376 HydrophobicContact CB-CD2 4.38Å; D374-V455 WeakPolarHBondContact O-CG1 3.38Å
375	R	95.3	Very high	96.4	Very high	70 Å²	70	28.3 Å²	28.3	26%	0.264	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	15.1	177.2	-55.7	-162.3	-51.2	-131.5	-2.1	113.2	F373 L437 P439 V455	F373-R375 PolarHBondContact O-N 2.84Å; R375-L437 HydrophobicContact CB-CB 4.25Å; R375-L437 PolarHBondContact NE-O 3.15Å; R375-L437 VanDerWaalsContact NE-O 3.08Å; R375-L437 WeakPolarHBondContact O-CB 3.12Å; R375-L437 WeakPolarHBondContact O-CG 3.05Å; R375-L437 PolarHBondContact O-N 3.38Å; R375-P439 VanDerWaalsContact NH1-CB 3.3Å; R375-V455 HydrophobicContact CG-CG2 4.16Å
376	F	97.9	Very high	96.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.6	-179.3	-58.4	-78.8	0	0	0	110.3	V371 L372 F373 D374 I424 V434 L435 Q436 M606 K609	V371-F376 CarbonylContact C-O 3.54Å; V371-F376 WeakPolarHBondContact CA-O 3.25Å; L372-F376 PolarHBondContact N-O 2.85Å; F373-F376 AromaticContact CD2-CD2 3.82Å; F373-F376 HydrophobicContact CD2-CD2 3.82Å; F373-F376 HydrophobicContact CD2-CE2 4.34Å; F373-F376 HydrophobicContact CE1-CD2 4.38Å; F373-F376 AromaticContact CE2-CD2 3.42Å; F373-F376 HydrophobicContact CE2-CD2 3.42Å; F373-F376 VanDerWaalsContact CE2-CD2 3.42Å; F373-F376 AromaticContact CE2-CE2 3.68Å; F373-F376 HydrophobicContact CE2-CE2 3.68Å; F373-F376 HydrophobicContact CE2-CG 4.42Å; F373-F376 HydrophobicContact CG-CD2 4.46Å; F373-F376 AromaticContact CZ-CD2 3.76Å; F373-F376 HydrophobicContact CZ-CD2 3.76Å; F373-F376 HydrophobicContact CZ-CE2 4.17Å; F373-F376 HydrophobicContact CZ-CG 4.37Å; F373-F376 WeakPolarHBondContact O-CB 3Å; F373-F376 WeakPolarHBondContact O-CD2 3.29Å; F373-F376 PolarHBondContact O-N 3.31Å; D374-F376 HydrophobicContact CB-CD2 4.38Å; F376-I424 HydrophobicContact CD1-CD1 4.41Å; F376-I424 HydrophobicContact CD1-CG1 3.75Å; F376-I424 HydrophobicContact CE1-CD1 3.84Å; F376-I424 HydrophobicContact CE1-CG1 3.68Å; F376-V434 HydrophobicContact CB-CG1 4.31Å; F376-L435 CarbonylContact C-O 3.53Å; F376-L435 WeakPolarHBondContact CA-O 3.27Å; F376-Q436 HydrophobicContact CD1-CB 3.92Å; F376-Q436 HydrophobicContact CD1-CG 4Å; F376-Q436 HydrophobicContact CE1-CB 3.82Å; F376-Q436 HydrophobicContact CE1-CG 3.6Å; F376-Q436 HydrophobicContact CZ-CG 4.28Å; F376-M606 HydrophobicContact CD1-CE 3.57Å; F376-M606 HydrophobicContact CD1-SD 4.45Å; F376-M606 HydrophobicContact CD2-CE 3.77Å; F376-M606 HydrophobicContact CE1-CE 3.52Å; F376-M606 HydrophobicContact CE1-SD 3.78Å; F376-M606 HydrophobicContact CE2-CE 3.73Å; F376-M606 HydrophobicContact CE2-SD 3.91Å; F376-M606 HydrophobicContact CG-CE 3.69Å; F376-M606 HydrophobicContact CZ-CE 3.59Å; F376-M606 HydrophobicContact CZ-SD 3.47Å; F376-M606 WeakPolarHBondContact CZ-SD 3.42Å; F376-K609 HydrophobicContact CE2-CD 4.4Å
377	V	98.5	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.1	-178	171.3	0	0	0	0	109.4	I359 F370 V371 V434 L435 L437	I359-V377 HydrophobicContact CD1-CG1 4Å; F370-V377 CarbonylContact O-C 3.2Å; F370-V377 WeakPolarHBondContact O-CA 3.44Å; V371-V377 HydrophobicContact CG2-CG2 4.46Å; V377-V434 WeakPolarHBondContact O-CA 3.27Å; V377-L435 HydrophobicContact CB-CB 4.32Å; V377-L435 PolarHBondContact N-O 3.48Å; V377-L435 PolarHBondContact O-N 3.24Å; V377-L437 HydrophobicContact CG2-CD1 3.74Å; V377-L437 HydrophobicContact CG2-CD2 4.24Å; V377-L437 HydrophobicContact CG2-CG 3.96Å
378	L	98.7	Very high	96.3	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.4	172.5	-172.6	67.1	0	0	0	109.6	G369 F370 L372 F432 V434 F463 I564 L587 I590	G369-L378 VanDerWaalsContact CA-O 3.22Å; G369-L378 WeakPolarHBondContact CA-O 3.38Å; F370-L378 HydrophobicContact CE1-CB 4.37Å; F370-L378 HydrophobicContact CE1-CD2 4.25Å; F370-L378 HydrophobicContact CE2-CB 4.38Å; F370-L378 HydrophobicContact CE2-CD2 4.39Å; F370-L378 HydrophobicContact CZ-CB 4.18Å; F370-L378 HydrophobicContact CZ-CD2 3.72Å; F370-L378 HydrophobicContact CZ-CG 4.37Å; F370-L378 PolarHBondContact N-O 3.32Å; F370-L378 PolarHBondContact O-N 3.22Å; L372-L378 HydrophobicContact CB-CB 4.37Å; L372-L378 HydrophobicContact CD1-CB 4.29Å; L372-L378 HydrophobicContact CD1-CD2 4.19Å; L378-F432 HydrophobicContact CD1-CB 4.14Å; L378-F432 HydrophobicContact CD1-CD2 4.01Å; L378-F432 HydrophobicContact CD1-CG 4.48Å; L378-V434 HydrophobicContact CD1-CG2 3.86Å; L378-F463 HydrophobicContact CD2-CZ 4.39Å; L378-I564 HydrophobicContact CD2-CD1 4.39Å; L378-I564 HydrophobicContact CG-CD1 4.1Å; L378-L587 HydrophobicContact CD2-CD2 3.48Å; L378-L587 VanDerWaalsContact CD2-CD2 3.48Å; L378-I590 HydrophobicContact CD1-CG2 4.4Å; L378-I590 HydrophobicContact CD2-CG2 4.45Å
379	T	98.5	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	180	178.3	-177.8	0	0	0	0	109.5	T368 L383 F384 F432 A433 L435	T368-T379 PolarHBondContact O-OG1 3.4Å; T379-L383 VanDerWaalsContact OG1-CD1 3.23Å; T379-L383 WeakPolarHBondContact OG1-CD1 3.27Å; T379-F384 HydrophobicContact CG2-CE2 3.68Å; T379-F384 HydrophobicContact CG2-CZ 4.04Å; T379-F432 CarbonylContact O-C 3.52Å; T379-F432 WeakPolarHBondContact O-CA 3.36Å; T379-A433 HydrophobicContact CG2-CB 4.23Å; T379-A433 PolarHBondContact N-O 3.04Å; T379-A433 PolarHBondContact O-N 3.02Å; T379-L435 HydrophobicContact CG2-CD1 4.17Å; T379-L435 HydrophobicContact CG2-CD2 4.47Å; T379-L435 HydrophobicContact CG2-CG 4.18Å
380	N	97.8	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.			trans	-79.6	147.2	172.6	-66.8	124.5	0	0	0	114	H382 D431 S550 G551 H565 T566	N380-H382 VanDerWaalsContact CB-CE1 3.49Å; N380-H382 WeakPolarHBondContact CB-CE1 3.27Å; N380-H382 WeakPolarHBondContact CB-ND1 3.09Å; N380-D431 WeakPolarHBondContact CA-O 3.39Å; N380-D431 WeakPolarHBondContact CB-O 3.48Å; N380-D431 PolarHBondContact ND2-O 2.76Å; N380-D431 PolarHBondContact ND2-OD2 2.95Å; N380-S550 WeakPolarHBondContact OD1-CA 3.44Å; N380-S550 WeakPolarHBondContact OD1-CB 3.46Å; N380-G551 WeakPolarHBondContact OD1-CA 3.32Å; N380-G551 PolarHBondContact OD1-N 3.27Å; N380-H565 PolarHBondContact OD1-O 2.85Å; N380-T566 PolarHBondContact ND2-OG1 3.01Å; N380-T566 VanDerWaalsContact ND2-OG1 3.09Å
381	A	97.4	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-71.3	-34.4	-180	0	0	0	0	0	113	L383 F384 I426 D427 M428 D431 F432	A381-L383 PolarHBondContact O-N 2.71Å; A381-F384 PolarHBondContact O-N 3.32Å; A381-I426 HydrophobicContact CB-CD1 4.19Å; A381-I426 HydrophobicContact CB-CG1 3.77Å; A381-D427 WeakPolarHBondContact CB-O 3.21Å; A381-M428 HydrophobicContact CB-SD 3.65Å; A381-D431 PolarHBondContact N-O 3.29Å; A381-D431 PolarHBondContact N-OD1 3.42Å; A381-D431 VanDerWaalsContact N-OD1 3.14Å; A381-F432 WeakPolarHBondContact CB-O 3.29Å
382	H	95.2	Very high	95.5	Very high	68 Å²	68	45.3 Å²	45.3	32%	0.315	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.2	-176.9	69.5	-103.9	0	0	0	113.6	N380 F384 R385 D431 S550 T566	N380-H382 VanDerWaalsContact CB-CE1 3.49Å; N380-H382 WeakPolarHBondContact CB-CE1 3.27Å; N380-H382 WeakPolarHBondContact CB-ND1 3.09Å; H382-F384 PolarHBondContact O-N 2.83Å; H382-R385 WeakPolarHBondContact O-CB 3.14Å; H382-R385 PolarHBondContact O-N 2.65Å; H382-D431 WeakPolarHBondContact CB-OD1 3.25Å; H382-D431 IonicContact CE1-OD2 2.7Å; H382-D431 PolarHBondContact CE1-OD2 3.32Å; H382-D431 IonicContact CG-OD1 3.57Å; H382-D431 IonicContact CG-OD2 3.28Å; H382-D431 PolarHBondContact N-OD1 3.23Å; H382-D431 VanDerWaalsContact ND1-CG 3.31Å; H382-D431 IonicContact ND1-OD1 2.72Å; H382-D431 PolarHBondContact ND1-OD1 2.57Å; H382-D431 VanDerWaalsContact ND1-OD1 3.14Å; H382-D431 IonicContact ND1-OD2 3.72Å; H382-D431 PolarHBondContact ND1-OD2 2.91Å; H382-S550 VanDerWaalsContact CE1-CB 3.47Å; H382-S550 WeakPolarHBondContact CE1-CB 3.34Å; H382-S550 PolarHBondContact CE1-OG 3.34Å; H382-S550 WeakPolarHBondContact NE2-CB 3.46Å; H382-S550 PolarHBondContact NE2-OG 3.33Å; H382-S550 VanDerWaalsContact NE2-OG 3.16Å; H382-T566 PolarHBondContact CE1-O 2.85Å
383	L	94.6	Very high	95.4	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.4	-23.9	171.3	-61.6	-176.7	0	0	0	112.3	I359 C365 T379 A381	I359-L383 HydrophobicContact CB-CD1 4.39Å; I359-L383 HydrophobicContact CG2-CD1 4.24Å; C365-L383 PolarHBondContact SG-O 2.76Å; T379-L383 VanDerWaalsContact OG1-CD1 3.23Å; T379-L383 WeakPolarHBondContact OG1-CD1 3.27Å; A381-L383 PolarHBondContact O-N 2.71Å
384	F	95.4	Very high	95.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.9	9.6	-177.6	-51.5	-73.4	0	0	0	113.3	V361 T379 A381 H382 G386 C387 V388 L393 V399 I426 A433 L435	V361-F384 HydrophobicContact CG2-CD1 4.21Å; V361-F384 HydrophobicContact CG2-CE1 3.8Å; T379-F384 HydrophobicContact CG2-CE2 3.68Å; T379-F384 HydrophobicContact CG2-CZ 4.04Å; A381-F384 PolarHBondContact O-N 3.32Å; H382-F384 PolarHBondContact O-N 2.83Å; F384-G386 PolarHBondContact O-N 2.9Å; F384-C387 HydrophobicContact CB-CB 4.42Å; F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.28Å; F384-C387 PolarHBondContact O-N 2.6Å; F384-V388 HydrophobicContact CB-CG1 3.94Å; F384-L393 HydrophobicContact CD1-CD2 3.95Å; F384-V399 HydrophobicContact CD1-CG2 4.35Å; F384-V399 HydrophobicContact CE1-CG1 4.02Å; F384-V399 HydrophobicContact CE1-CG2 3.75Å; F384-V399 HydrophobicContact CZ-CG1 4.41Å; F384-I426 HydrophobicContact CB-CD1 4.19Å; F384-A433 HydrophobicContact CD2-CB 3.88Å; F384-A433 HydrophobicContact CE2-CB 3.75Å; F384-L435 HydrophobicContact CE1-CD2 4.34Å; F384-L435 HydrophobicContact CE2-CD2 4.03Å; F384-L435 HydrophobicContact CZ-CD1 4.1Å; F384-L435 HydrophobicContact CZ-CD2 3.66Å; F384-L435 HydrophobicContact CZ-CG 4.44Å
385	R	92.9	Very high	95	Very high	207 Å²	207	49.6 Å²	49.6	78%	0.781	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	123.3	178.7	-171.1	175.8	-178.3	173.7	2	110	H382 C387 M428	H382-R385 WeakPolarHBondContact O-CB 3.14Å; H382-R385 PolarHBondContact O-N 2.65Å; R385-C387 PolarHBondContact O-N 3.17Å; R385-M428 HydrophobicContact CB-CE 4.38Å; R385-M428 HydrophobicContact CG-CE 4.4Å
386	G	91.8	Very high	94.8	Very high	69 Å²	69	52.6 Å²	52.6	71%	0.711	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	4	-175.8	0	0	0	0	0	115	F384	F384-G386 PolarHBondContact O-N 2.9Å
387	C	93	Very high	94.6	Very high	3 Å²	3	53 Å²	53	2%	0.02	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-7	-179.5	-56.8	0	0	0	0	113.3	I364 F384 R385 L394 I397	I364-C387 WeakPolarHBondContact CD1-SG 3.34Å; F384-C387 HydrophobicContact CB-CB 4.42Å; F384-C387 VanDerWaalsContact O-CB 3.3Å; F384-C387 WeakPolarHBondContact O-CB 3.28Å; F384-C387 PolarHBondContact O-N 2.6Å; R385-C387 PolarHBondContact O-N 3.17Å; C387-L394 WeakPolarHBondContact O-CG 3.47Å; C387-L394 PolarHBondContact O-N 3.43Å; C387-I397 HydrophobicContact CB-CD1 4.28Å; C387-I397 HydrophobicContact CB-CG1 4.28Å; C387-I397 HydrophobicContact CB-CG2 4.18Å
388	V	93.8	Very high	94.4	Very high	37 Å²	37	56.2 Å²	56.2	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.4	-172.9	-64.3	0	0	0	0	111.8	F384 N392 L393 L423 I426	F384-V388 HydrophobicContact CB-CG1 3.94Å; V388-N392 CarbonylContact C-O 3.59Å; V388-N392 WeakPolarHBondContact CA-O 3.4Å; V388-N392 WeakPolarHBondContact CB-O 3.12Å; V388-L393 HydrophobicContact CG1-CD2 3.64Å; V388-L393 HydrophobicContact CG1-CG 4.31Å; V388-L423 HydrophobicContact CG1-CD1 3.66Å; V388-I426 HydrophobicContact CG2-CD1 4.19Å
389	Q	93.7	Very high	94.3	Very high	152 Å²	152	56.3 Å²	56.3	71%	0.71	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	106.7	164.2	-174.9	176.7	4.5	0	0	108.3	K391 N392 L394	Q389-K391 PolarHBondContact O-N 3.13Å; Q389-N392 PolarHBondContact N-O 3.16Å; Q389-N392 PolarHBondContact O-N 3.42Å; Q389-N392 VanDerWaalsContact O-N 3.11Å; Q389-L394 HydrophobicContact CB-CD2 4.44Å
390	G	91.5	Very high	94.1	Very high	62 Å²	62	59 Å²	59	64%	0.639	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-123.9	-165.9	0	0	0	0	0	110.2
391	K	93.2	Very high	94	Very high	67 Å²	67	59 Å²	59	29%	0.291	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.3	176.1	-62.4	-170.8	174.3	-162.6	0	113.9	Q389 T422 L423 I424 D425 I426	Q389-K391 PolarHBondContact O-N 3.13Å; K391-T422 HydrophobicContact CB-CG2 4.38Å; K391-L423 HydrophobicContact CB-CB 4.43Å; K391-L423 VanDerWaalsContact O-CB 3.29Å; K391-L423 WeakPolarHBondContact O-CB 3.4Å; K391-L423 WeakPolarHBondContact O-CG 3.49Å; K391-L423 PolarHBondContact O-N 3.19Å; K391-I424 PolarHBondContact NZ-O 3.26Å; K391-D425 WeakPolarHBondContact CE-OD1 3.41Å; K391-D425 IonicContact NZ-OD1 3.96Å; K391-D425 PolarHBondContact NZ-OD1 3.47Å; K391-I426 HydrophobicContact CG-CG2 4.31Å
392	N	96.6	Very high	93.8	Very high	83 Å²	83	59.8 Å²	59.8	44%	0.444	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.7	-174.7	-62.3	-55.2	0	0	0	111.3	V388 Q389 T422	V388-N392 CarbonylContact C-O 3.59Å; V388-N392 WeakPolarHBondContact CA-O 3.4Å; V388-N392 WeakPolarHBondContact CB-O 3.12Å; Q389-N392 PolarHBondContact N-O 3.16Å; Q389-N392 PolarHBondContact O-N 3.42Å; Q389-N392 VanDerWaalsContact O-N 3.11Å; N392-T422 WeakPolarHBondContact OD1-CB 3.47Å; N392-T422 VanDerWaalsContact OD1-CG2 3.32Å; N392-T422 WeakPolarHBondContact OD1-CG2 3.49Å; N392-T422 PolarHBondContact OD1-OG1 2.93Å
393	L	95.3	Very high	93.7	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.2	167.5	-68.5	166.5	0	0	0	109.7	F384 V388 I397 V399 K421	F384-L393 HydrophobicContact CD1-CD2 3.95Å; V388-L393 HydrophobicContact CG1-CD2 3.64Å; V388-L393 HydrophobicContact CG1-CG 4.31Å; L393-I397 HydrophobicContact CD2-CG2 4.03Å; L393-V399 HydrophobicContact CD1-CB 4.44Å; L393-V399 HydrophobicContact CD1-CG2 3.69Å; L393-V399 HydrophobicContact CD2-CG2 4.03Å; L393-K421 HydrophobicContact CB-CD 4.19Å; L393-K421 WeakPolarHBondContact CB-O 3.36Å; L393-K421 PolarHBondContact N-O 2.77Å
394	L	94	Very high	93.4	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.277	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62	152.4	173	-57.3	168.3	0	0	0	110.5	C387 Q389 Q396 I397 K421	C387-L394 WeakPolarHBondContact O-CG 3.47Å; C387-L394 PolarHBondContact O-N 3.43Å; Q389-L394 HydrophobicContact CB-CD2 4.44Å; L394-Q396 VanDerWaalsContact C-N 3.27Å; L394-Q396 PolarHBondContact O-N 3.14Å; L394-I397 HydrophobicContact CB-CG1 3.76Å; L394-I397 WeakPolarHBondContact O-CB 3.09Å; L394-I397 PolarHBondContact O-N 2.76Å; L394-K421 PolarHBondContact O-NZ 2.83Å
395	D	90.8	Very high	93.1	Very high	146 Å²	146	60.4 Å²	60.4	78%	0.781	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-37.8	-170.6	-71.7	-25.8	0	0	0	113.4	I397 K421	D395-I397 VanDerWaalsContact C-N 3.26Å; D395-I397 PolarHBondContact O-N 2.78Å; D395-K421 PolarHBondContact O-NZ 3.2Å
396	Q	90.7	Very high	92.6	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.4	177.7	69.2	-82.9	18.3	0	0	114.2	L394	L394-Q396 VanDerWaalsContact C-N 3.27Å; L394-Q396 PolarHBondContact O-N 3.14Å
397	I	93.4	Very high	92.2	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.062	29%	0.291	C	S	.	.			trans	-90.5	119.3	-170.5	-52.9	-70.8	0	0	0	110.2	V361 I364 C387 L393 L394 D395 V399 K421	V361-I397 HydrophobicContact CG1-CG2 3.88Å; I364-I397 HydrophobicContact CD1-CD1 3.26Å; C387-I397 HydrophobicContact CB-CD1 4.28Å; C387-I397 HydrophobicContact CB-CG1 4.28Å; C387-I397 HydrophobicContact CB-CG2 4.18Å; L393-I397 HydrophobicContact CD2-CG2 4.03Å; L394-I397 HydrophobicContact CB-CG1 3.76Å; L394-I397 WeakPolarHBondContact O-CB 3.09Å; L394-I397 PolarHBondContact O-N 2.76Å; D395-I397 VanDerWaalsContact C-N 3.26Å; D395-I397 PolarHBondContact O-N 2.78Å; I397-V399 HydrophobicContact CG2-CG2 4.31Å; I397-K421 PolarHBondContact O-NZ 3.04Å
398	N	93.6	Very high	91.4	Very high	67 Å²	67	59 Å²	59	36%	0.358	31%	0.314	S	S	.	.			trans	-114.9	132.8	174.4	-65.7	-60.7	0	0	0	110.1	Y362 Y400	Y362-N398 VanDerWaalsContact CB-O 3.32Å; Y362-N398 WeakPolarHBondContact CB-O 3.35Å; Y362-N398 PolarHBondContact N-O 3.09Å; N398-Y400 HydrophobicContact CB-CE2 3.79Å
399	V	96.2	Very high	90.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.1	-178.8	-176.8	0	0	0	0	108.7	I359 N360 V361 F384 L393 I397 S418 A419 L435	I359-V399 HydrophobicContact CG2-CG1 4.08Å; N360-V399 WeakPolarHBondContact O-CA 3.34Å; V361-V399 HydrophobicContact CG1-CG2 4.37Å; V361-V399 HydrophobicContact CG2-CG2 4.4Å; F384-V399 HydrophobicContact CD1-CG2 4.35Å; F384-V399 HydrophobicContact CE1-CG1 4.02Å; F384-V399 HydrophobicContact CE1-CG2 3.75Å; F384-V399 HydrophobicContact CZ-CG1 4.41Å; L393-V399 HydrophobicContact CD1-CB 4.44Å; L393-V399 HydrophobicContact CD1-CG2 3.69Å; L393-V399 HydrophobicContact CD2-CG2 4.03Å; I397-V399 HydrophobicContact CG2-CG2 4.31Å; V399-S418 WeakPolarHBondContact O-CA 3.41Å; V399-A419 HydrophobicContact CB-CB 4.03Å; V399-A419 HydrophobicContact CG1-CB 4.28Å; V399-A419 PolarHBondContact O-N 3.4Å; V399-L435 HydrophobicContact CG1-CD1 4.04Å
400	Y	94.9	Very high	88.9	Confident	57 Å²	57	59.4 Å²	59.4	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.3	179.8	-55.8	-82	0	0	0	110.7	N360 Y362 N398 Y416 F417	N360-Y400 PolarHBondContact N-O 2.84Å; N360-Y400 PolarHBondContact O-N 2.89Å; Y362-Y400 HydrophobicContact CD2-CE2 4.11Å; Y362-Y400 HydrophobicContact CG-CE2 4.46Å; N398-Y400 HydrophobicContact CB-CE2 3.79Å; Y400-Y416 AromaticContact CD1-CD2 3.65Å; Y400-Y416 HydrophobicContact CD1-CD2 3.65Å; Y400-Y416 AromaticContact CD1-CE2 3.63Å; Y400-Y416 HydrophobicContact CD1-CE2 3.63Å; Y400-Y416 HydrophobicContact CE1-CD2 4.38Å; Y400-Y416 AromaticContact CE1-CE2 3.9Å; Y400-Y416 HydrophobicContact CE1-CE2 3.9Å; Y400-Y416 HydrophobicContact CG-CD2 4.34Å; Y400-F417 CarbonylContact C-O 3.53Å; Y400-F417 WeakPolarHBondContact CA-O 3.32Å
401	A	95.6	Very high	87.7	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114	170.3	0	0	0	0	0	109.2	C357 I359 F403 Y416 F417 L437	C357-A401 HydrophobicContact CB-CB 4.31Å; I359-A401 HydrophobicContact CD1-CB 4.09Å; A401-F403 HydrophobicContact CB-CE2 3.91Å; A401-F403 HydrophobicContact CB-CZ 4.38Å; A401-Y416 CarbonylContact O-C 3.58Å; A401-Y416 WeakPolarHBondContact O-CA 3.17Å; A401-Y416 WeakPolarHBondContact O-CB 3.41Å; A401-F417 PolarHBondContact N-O 2.72Å; A401-F417 PolarHBondContact O-N 2.8Å; A401-L437 HydrophobicContact CB-CD1 4.36Å; A401-L437 HydrophobicContact CB-CD2 3.74Å
402	L	93.7	Very high	86.6	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.4	-178.9	-71.7	66.1	0	0	0	109.6	C357 K358 N360 Y414 F415	C357-L402 CarbonylContact C-O 3.58Å; C357-L402 WeakPolarHBondContact CA-O 3.34Å; C357-L402 VanDerWaalsContact CB-O 3.23Å; C357-L402 WeakPolarHBondContact CB-O 3.37Å; K358-L402 HydrophobicContact CB-CB 4.2Å; K358-L402 PolarHBondContact N-O 3.03Å; K358-L402 PolarHBondContact O-N 2.78Å; N360-L402 HydrophobicContact CB-CD1 4.1Å; L402-Y414 HydrophobicContact CB-CD2 4.35Å; L402-Y414 HydrophobicContact CD2-CD2 3.95Å; L402-Y414 HydrophobicContact CD2-CE2 3.86Å; L402-Y414 HydrophobicContact CG-CD2 4.04Å; L402-Y414 HydrophobicContact CG-CE2 4.21Å; L402-F415 CarbonylContact C-O 3.56Å; L402-F415 WeakPolarHBondContact CA-O 3.19Å
403	F	92.6	Very high	85.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156	178.4	-65	-87.1	0	0	0	110.9	S355 C357 V371 A401 Y405 Y414 F415 F417 L437 V455 P456	S355-F403 WeakPolarHBondContact O-CE1 3.13Å; C357-F403 HydrophobicContact CB-CD1 3.67Å; C357-F403 HydrophobicContact CB-CD2 4.27Å; C357-F403 HydrophobicContact CB-CE1 3.53Å; C357-F403 HydrophobicContact CB-CE2 4.13Å; C357-F403 HydrophobicContact CB-CG 4.05Å; C357-F403 HydrophobicContact CB-CZ 3.77Å; V371-F403 HydrophobicContact CG2-CE1 3.57Å; V371-F403 HydrophobicContact CG2-CZ 3.73Å; A401-F403 HydrophobicContact CB-CE2 3.91Å; A401-F403 HydrophobicContact CB-CZ 4.38Å; F403-Y405 PolarHBondContact O-N 2.88Å; F403-Y414 WeakPolarHBondContact O-CA 3.48Å; F403-Y414 WeakPolarHBondContact O-CB 3.35Å; F403-F415 HydrophobicContact CB-CD1 4.41Å; F403-F415 HydrophobicContact CB-CD2 3.8Å; F403-F415 HydrophobicContact CB-CE1 3.99Å; F403-F415 HydrophobicContact CB-CE2 3.31Å; F403-F415 HydrophobicContact CB-CG 4.34Å; F403-F415 HydrophobicContact CB-CZ 3.43Å; F403-F415 VanDerWaalsContact CB-CZ 3.43Å; F403-F415 HydrophobicContact CD2-CD2 4.1Å; F403-F415 AromaticContact CD2-CE2 3.74Å; F403-F415 HydrophobicContact CD2-CE2 3.74Å; F403-F415 HydrophobicContact CG-CD2 4.33Å; F403-F415 AromaticContact CG-CE2 3.7Å; F403-F415 HydrophobicContact CG-CE2 3.7Å; F403-F415 HydrophobicContact CG-CZ 4.13Å; F403-F415 PolarHBondContact N-O 2.7Å; F403-F415 PolarHBondContact O-N 3.48Å; F403-F415 VanDerWaalsContact O-N 3.11Å; F403-F417 AromaticContact CD2-CD2 3.94Å; F403-F417 HydrophobicContact CD2-CD2 3.94Å; F403-F417 HydrophobicContact CD2-CE2 4.26Å; F403-F417 AromaticContact CE2-CD2 3.81Å; F403-F417 HydrophobicContact CE2-CD2 3.81Å; F403-F417 HydrophobicContact CE2-CE2 4.34Å; F403-L437 HydrophobicContact CE2-CD1 3.93Å; F403-L437 HydrophobicContact CZ-CD1 4.07Å; F403-V455 HydrophobicContact CZ-CG1 4.39Å; F403-P456 HydrophobicContact CD1-CG 3.57Å; F403-P456 HydrophobicContact CE1-CG 3.94Å; F403-P456 HydrophobicContact CG-CG 4.13Å
404	N	88.8	Confident	85.2	Confident	56 Å²	56	61.8 Å²	61.8	30%	0.299	32%	0.322	S	S	.	.			trans	55.7	31.8	-175.3	-66.8	3	0	0	0	113.7	D406 N413 F415	N404-D406 PolarHBondContact O-N 2.87Å; N404-N413 WeakPolarHBondContact CB-O 3.45Å; N404-F415 HydrophobicContact CB-CD1 4.43Å; N404-F415 HydrophobicContact CB-CE1 4.18Å; N404-F415 WeakPolarHBondContact ND2-CE1 3.3Å
405	Y	88	Confident	84.9	Confident	35 Å²	35	60.5 Å²	60.5	14%	0.137	31%	0.314	C	S	.	.			trans	-80.8	64.5	171.1	-167.6	-103	0	0	0	110.6	K358 F403 T412 Y414 H477 V482 K483	K358-Y405 HydrophobicContact CD-CD1 4.33Å; K358-Y405 HydrophobicContact CD-CE1 4.46Å; F403-Y405 PolarHBondContact O-N 2.88Å; Y405-T412 HydrophobicContact CD2-CG2 4.09Å; Y405-T412 HydrophobicContact CE2-CG2 3.57Å; Y405-Y414 AromaticContact CD2-CD1 3.6Å; Y405-Y414 HydrophobicContact CD2-CD1 3.6Å; Y405-Y414 HydrophobicContact CD2-CE1 4.23Å; Y405-Y414 AromaticContact CD2-CG 3.99Å; Y405-Y414 HydrophobicContact CD2-CG 3.99Å; Y405-Y414 HydrophobicContact CE2-CD1 4.03Å; Y405-Y414 HydrophobicContact CE2-CE1 4.25Å; Y405-H477 AromaticContact CD1-CE1 3.99Å; Y405-H477 AromaticContact CD1-ND1 3.83Å; Y405-H477 PolarHBondContact O-CE1 3.27Å; Y405-V482 HydrophobicContact CE1-CG1 4.39Å; Y405-V482 WeakPolarHBondContact O-CA 3.45Å; Y405-K483 PolarHBondContact O-N 2.91Å
406	D	84.4	Confident	84.9	Confident	77 Å²	77	56 Å²	56	41%	0.412	29%	0.287	S	S	.	.			trans	-105.6	-25.8	-169.6	-57.9	-15.1	0	0	0	112.1	N404 K483	N404-D406 PolarHBondContact O-N 2.87Å; D406-K483 WeakPolarHBondContact OD1-CE 3.43Å; D406-K483 IonicContact OD1-NZ 2.71Å; D406-K483 PolarHBondContact OD1-NZ 3.26Å; D406-K483 IonicContact OD2-NZ 2.7Å
407	E	81.8	Confident	85	Confident	96 Å²	96	50 Å²	50	45%	0.449	26%	0.258	S	S	.	.	S	Bend	trans	-108.6	142.4	-178.4	-67.1	-178.7	-178.7	0	0	110.9	E411 T412 V482	E407-E411 HydrophobicContact CB-CB 4.27Å; E407-T412 WeakPolarHBondContact O-CG2 3.12Å; E407-V482 VanDerWaalsContact C-CG1 3.43Å
408	P	77.1	Confident	85	Confident	76 Å²	76	50.7 Å²	50.7	49%	0.494	26%	0.264	S	S	.	.			trans	-70.2	161	177.4	29.7	-34	0	0	0	111.6	E411 T412 V482	P408-E411 PolarHBondContact O-N 2.8Å; P408-T412 PolarHBondContact O-N 2.81Å; P408-T412 VanDerWaalsContact O-N 3.14Å; P408-V482 HydrophobicContact CB-CG1 4.24Å
409	V	70.4	Confident	85.1	Confident	109 Å²	109	48 Å²	48	66%	0.661	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	136.7	173.9	177.6	0	0	0	0	108.9	T412	V409-T412 HydrophobicContact CG2-CG2 3.81Å
410	P	64.4	Low	85.1	Confident	88 Å²	88	50.7 Å²	50.7	57%	0.571	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	cis	-99.4	10.6	10.2	39.6	-36	0	0	0	114.9	T412 K447	P410-T412 VanDerWaalsContact C-N 3.34Å; P410-K447 PolarHBondContact O-NZ 3.07Å
411	E	66.6	Low	85.1	Confident	115 Å²	115	50.9 Å²	50.9	54%	0.537	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16	-176.4	-67.3	168.9	172.8	0	0	112.4	E407 P408 N413	E407-E411 HydrophobicContact CB-CB 4.27Å; P408-E411 PolarHBondContact O-N 2.8Å; E411-N413 PolarHBondContact O-N 3.47Å
412	T	69.1	Low	85.2	Confident	14 Å²	14	54.3 Å²	54.3	9%	0.086	29%	0.287	C	S	.	.			trans	-27.4	116.7	171.5	38.4	0	0	0	0	112.9	Y405 E407 P408 V409 P410 Y414 N445	Y405-T412 HydrophobicContact CD2-CG2 4.09Å; Y405-T412 HydrophobicContact CE2-CG2 3.57Å; E407-T412 WeakPolarHBondContact O-CG2 3.12Å; P408-T412 PolarHBondContact O-N 2.81Å; P408-T412 VanDerWaalsContact O-N 3.14Å; V409-T412 HydrophobicContact CG2-CG2 3.81Å; P410-T412 VanDerWaalsContact C-N 3.34Å; T412-Y414 HydrophobicContact CG2-CD1 4.15Å; T412-Y414 HydrophobicContact CG2-CE1 4.34Å; T412-N445 PolarHBondContact O-ND2 2.87Å
413	N	78.1	Confident	85.3	Confident	84 Å²	84	53.7 Å²	53.7	45%	0.449	28%	0.283	S	S	.	.			trans	-122.3	65.2	171.3	-175.6	25	0	0	0	109.2	N404 E411	N404-N413 WeakPolarHBondContact CB-O 3.45Å; E411-N413 PolarHBondContact O-N 3.47Å
414	Y	85.2	Confident	85.6	Confident	58 Å²	58	54.8 Å²	54.8	23%	0.227	29%	0.289	C	S	.	.			trans	-100.4	154.8	176.8	70.1	-92.2	0	0	0	110.5	L402 F403 Y405 T412 Y416 N445	L402-Y414 HydrophobicContact CB-CD2 4.35Å; L402-Y414 HydrophobicContact CD2-CD2 3.95Å; L402-Y414 HydrophobicContact CD2-CE2 3.86Å; L402-Y414 HydrophobicContact CG-CD2 4.04Å; L402-Y414 HydrophobicContact CG-CE2 4.21Å; F403-Y414 WeakPolarHBondContact O-CA 3.48Å; F403-Y414 WeakPolarHBondContact O-CB 3.35Å; Y405-Y414 AromaticContact CD2-CD1 3.6Å; Y405-Y414 HydrophobicContact CD2-CD1 3.6Å; Y405-Y414 HydrophobicContact CD2-CE1 4.23Å; Y405-Y414 AromaticContact CD2-CG 3.99Å; Y405-Y414 HydrophobicContact CD2-CG 3.99Å; Y405-Y414 HydrophobicContact CE2-CD1 4.03Å; Y405-Y414 HydrophobicContact CE2-CE1 4.25Å; T412-Y414 HydrophobicContact CG2-CD1 4.15Å; T412-Y414 HydrophobicContact CG2-CE1 4.34Å; Y414-Y416 HydrophobicContact CD2-CD1 4.38Å; Y414-Y416 AromaticContact CE2-CD1 3.97Å; Y414-Y416 HydrophobicContact CE2-CD1 3.97Å; Y414-N445 HydrophobicContact CE1-CB 4.4Å
415	F	87.8	Confident	86	Confident	27 Å²	27	52.2 Å²	52.2	12%	0.118	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.5	164.6	55.9	-93.2	0	0	0	108.3	L402 F403 N404 F417 V453 P456	L402-F415 CarbonylContact C-O 3.56Å; L402-F415 WeakPolarHBondContact CA-O 3.19Å; F403-F415 HydrophobicContact CB-CD1 4.41Å; F403-F415 HydrophobicContact CB-CD2 3.8Å; F403-F415 HydrophobicContact CB-CE1 3.99Å; F403-F415 HydrophobicContact CB-CE2 3.31Å; F403-F415 HydrophobicContact CB-CG 4.34Å; F403-F415 HydrophobicContact CB-CZ 3.43Å; F403-F415 VanDerWaalsContact CB-CZ 3.43Å; F403-F415 HydrophobicContact CD2-CD2 4.1Å; F403-F415 AromaticContact CD2-CE2 3.74Å; F403-F415 HydrophobicContact CD2-CE2 3.74Å; F403-F415 HydrophobicContact CG-CD2 4.33Å; F403-F415 AromaticContact CG-CE2 3.7Å; F403-F415 HydrophobicContact CG-CE2 3.7Å; F403-F415 HydrophobicContact CG-CZ 4.13Å; F403-F415 PolarHBondContact N-O 2.7Å; F403-F415 PolarHBondContact O-N 3.48Å; F403-F415 VanDerWaalsContact O-N 3.11Å; N404-F415 HydrophobicContact CB-CD1 4.43Å; N404-F415 HydrophobicContact CB-CE1 4.18Å; N404-F415 WeakPolarHBondContact ND2-CE1 3.3Å; F415-F417 HydrophobicContact CD2-CD2 4.29Å; F415-F417 AromaticContact CD2-CE2 3.67Å; F415-F417 HydrophobicContact CD2-CE2 3.67Å; F415-F417 AromaticContact CE2-CE2 3.73Å; F415-F417 HydrophobicContact CE2-CE2 3.73Å; F415-V453 HydrophobicContact CB-CG1 3.9Å; F415-V453 HydrophobicContact CD1-CG1 3.53Å; F415-V453 HydrophobicContact CD2-CG1 3.24Å; F415-V453 HydrophobicContact CE1-CG1 3.69Å; F415-V453 HydrophobicContact CE2-CG1 3.41Å; F415-V453 VanDerWaalsContact CE2-CG1 3.41Å; F415-V453 HydrophobicContact CG-CG1 3.29Å; F415-V453 HydrophobicContact CZ-CG1 3.63Å; F415-P456 HydrophobicContact CZ-CG 4.22Å
416	Y	90.4	Very high	86.4	Confident	52 Å²	52	52 Å²	52	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160	179.2	69.7	-89.4	0	0	0	112.4	Y400 A401 Y414 K443	Y400-Y416 AromaticContact CD1-CD2 3.65Å; Y400-Y416 HydrophobicContact CD1-CD2 3.65Å; Y400-Y416 AromaticContact CD1-CE2 3.63Å; Y400-Y416 HydrophobicContact CD1-CE2 3.63Å; Y400-Y416 HydrophobicContact CE1-CD2 4.38Å; Y400-Y416 AromaticContact CE1-CE2 3.9Å; Y400-Y416 HydrophobicContact CE1-CE2 3.9Å; Y400-Y416 HydrophobicContact CG-CD2 4.34Å; A401-Y416 CarbonylContact O-C 3.58Å; A401-Y416 WeakPolarHBondContact O-CA 3.17Å; A401-Y416 WeakPolarHBondContact O-CB 3.41Å; Y414-Y416 HydrophobicContact CD2-CD1 4.38Å; Y414-Y416 AromaticContact CE2-CD1 3.97Å; Y414-Y416 HydrophobicContact CE2-CD1 3.97Å; Y416-K443 HydrophobicContact CD1-CB 4.46Å; Y416-K443 WeakPolarHBondContact CD1-O 3.49Å; Y416-K443 HydrophobicContact CE1-CB 3.57Å; Y416-K443 WeakPolarHBondContact CE1-O 3.44Å; Y416-K443 HydrophobicContact CE2-CB 4.18Å; Y416-K443 VanDerWaalsContact CZ-CB 3.44Å; Y416-K443 WeakPolarHBondContact OH-CB 3.29Å; Y416-K443 VanDerWaalsContact OH-CD 3.24Å; Y416-K443 WeakPolarHBondContact OH-CD 3.4Å
417	F	93.3	Very high	87	Confident	5 Å²	5	49.2 Å²	49.2	2%	0.022	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.3	172	-65.4	-91.4	0	0	0	108.8	Y400 A401 F403 F415 L437 K438 K442 V455	Y400-F417 CarbonylContact C-O 3.53Å; Y400-F417 WeakPolarHBondContact CA-O 3.32Å; A401-F417 PolarHBondContact N-O 2.72Å; A401-F417 PolarHBondContact O-N 2.8Å; F403-F417 AromaticContact CD2-CD2 3.94Å; F403-F417 HydrophobicContact CD2-CD2 3.94Å; F403-F417 HydrophobicContact CD2-CE2 4.26Å; F403-F417 AromaticContact CE2-CD2 3.81Å; F403-F417 HydrophobicContact CE2-CD2 3.81Å; F403-F417 HydrophobicContact CE2-CE2 4.34Å; F415-F417 HydrophobicContact CD2-CD2 4.29Å; F415-F417 AromaticContact CD2-CE2 3.67Å; F415-F417 HydrophobicContact CD2-CE2 3.67Å; F415-F417 AromaticContact CE2-CE2 3.73Å; F415-F417 HydrophobicContact CE2-CE2 3.73Å; F417-L437 HydrophobicContact CB-CB 4.04Å; F417-L437 HydrophobicContact CB-CD1 4.01Å; F417-L437 HydrophobicContact CB-CD2 4.11Å; F417-L437 HydrophobicContact CB-CG 4.28Å; F417-L437 HydrophobicContact CD2-CD1 4.31Å; F417-L437 HydrophobicContact CG-CD1 4.26Å; F417-K438 WeakPolarHBondContact CD1-O 3.22Å; F417-K442 HydrophobicContact CD1-CG 4.35Å; F417-K442 HydrophobicContact CE1-CD 4.47Å; F417-K442 HydrophobicContact CE1-CG 3.71Å; F417-K442 HydrophobicContact CZ-CG 4.28Å; F417-V455 HydrophobicContact CD1-CG2 4.44Å; F417-V455 HydrophobicContact CD2-CG2 4.22Å; F417-V455 HydrophobicContact CE1-CG2 4.09Å; F417-V455 HydrophobicContact CE2-CG2 3.84Å; F417-V455 HydrophobicContact CG-CG2 4.5Å; F417-V455 HydrophobicContact CZ-CG2 3.78Å
418	S	94	Very high	87.6	Confident	27 Å²	27	49.3 Å²	49.3	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.5	164.6	44.7	0	0	0	0	110.2	V399 K438	V399-S418 WeakPolarHBondContact O-CA 3.41Å; S418-K438 WeakPolarHBondContact O-CB 3.35Å; S418-K438 PolarHBondContact O-N 2.74Å
419	A	95.6	Very high	88.3	Confident	10 Å²	10	53.8 Å²	53.8	8%	0.083	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-80	156.1	170.8	0	0	0	0	0	111.4	V399 L435 Q436 K438	V399-A419 HydrophobicContact CB-CB 4.03Å; V399-A419 HydrophobicContact CG1-CB 4.28Å; V399-A419 PolarHBondContact O-N 3.4Å; A419-L435 HydrophobicContact CB-CB 4.48Å; A419-Q436 CarbonylContact C-O 3.52Å; A419-Q436 WeakPolarHBondContact CA-O 3.35Å; A419-K438 WeakPolarHBondContact O-CE 3.46Å
420	E	96.1	Very high	89.5	Confident	62 Å²	62	50.5 Å²	50.5	29%	0.29	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.7	154.9	164	-64.8	-64.2	176	0	0	111	T422 Q436 K438	E420-T422 VanDerWaalsContact C-N 3.29Å; E420-Q436 HydrophobicContact CB-CB 4.37Å; E420-Q436 HydrophobicContact CG-CB 4.06Å; E420-Q436 HydrophobicContact CG-CG 4.17Å; E420-Q436 PolarHBondContact N-O 2.98Å; E420-K438 HydrophobicContact CG-CG 4.23Å; E420-K438 WeakPolarHBondContact OE1-CG 3.21Å; E420-K438 WeakPolarHBondContact OE2-CE 3.44Å
421	K	95.1	Very high	91	Very high	60 Å²	60	47.1 Å²	47.1	26%	0.261	23%	0.233	S	C	.	.	S	Bend	trans	-72.9	-24.4	-179.8	-74	-67.4	-163.7	165.7	0	112.7	L393 L394 D395 I397	L393-K421 HydrophobicContact CB-CD 4.19Å; L393-K421 WeakPolarHBondContact CB-O 3.36Å; L393-K421 PolarHBondContact N-O 2.77Å; L394-K421 PolarHBondContact O-NZ 2.83Å; D395-K421 PolarHBondContact O-NZ 3.2Å; I397-K421 PolarHBondContact O-NZ 3.04Å
422	T	96.4	Very high	92.5	Very high	73 Å²	73	41.6 Å²	41.6	45%	0.448	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-102.5	120.1	177.1	-53.3	0	0	0	0	109.3	K391 N392 E420	K391-T422 HydrophobicContact CB-CG2 4.38Å; N392-T422 WeakPolarHBondContact OD1-CB 3.47Å; N392-T422 VanDerWaalsContact OD1-CG2 3.32Å; N392-T422 WeakPolarHBondContact OD1-CG2 3.49Å; N392-T422 PolarHBondContact OD1-OG1 2.93Å; E420-T422 VanDerWaalsContact C-N 3.29Å
423	L	96.8	Very high	93.9	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.203	C	C	.	.			trans	-68	140.7	171.2	-58	166.7	0	0	0	108.7	V388 K391 D425 I426 L435	V388-L423 HydrophobicContact CG1-CD1 3.66Å; K391-L423 HydrophobicContact CB-CB 4.43Å; K391-L423 VanDerWaalsContact O-CB 3.29Å; K391-L423 WeakPolarHBondContact O-CB 3.4Å; K391-L423 WeakPolarHBondContact O-CG 3.49Å; K391-L423 PolarHBondContact O-N 3.19Å; L423-D425 VanDerWaalsContact C-N 3.32Å; L423-I426 HydrophobicContact CD1-CB 4.14Å; L423-I426 HydrophobicContact CD1-CD1 3.91Å; L423-I426 HydrophobicContact CD1-CG2 4.27Å; L423-L435 HydrophobicContact CD2-CD2 3.05Å; L423-L435 HydrophobicContact CD2-CG 4.47Å
424	I	97.6	Very high	94.9	Very high	23 Å²	23	37 Å²	37	12%	0.118	18%	0.182	C	C	.	.	S	Bend	trans	-67.4	-44	174.3	-57	-55.1	0	0	0	109.3	F376 K391 V434 Q436 F594 L598 M606	F376-I424 HydrophobicContact CD1-CD1 4.41Å; F376-I424 HydrophobicContact CD1-CG1 3.75Å; F376-I424 HydrophobicContact CE1-CD1 3.84Å; F376-I424 HydrophobicContact CE1-CG1 3.68Å; K391-I424 PolarHBondContact NZ-O 3.26Å; I424-V434 HydrophobicContact CB-CB 4.1Å; I424-V434 HydrophobicContact CB-CG1 3.93Å; I424-V434 HydrophobicContact CG1-CG1 4.29Å; I424-V434 HydrophobicContact CG2-CG1 4.41Å; I424-V434 PolarHBondContact N-O 2.72Å; I424-Q436 HydrophobicContact CD1-CB 4.14Å; I424-Q436 HydrophobicContact CG1-CB 4.19Å; I424-F594 HydrophobicContact CG2-CE2 3.91Å; I424-F594 HydrophobicContact CG2-CZ 4.12Å; I424-L598 HydrophobicContact CG2-CD2 4.3Å; I424-M606 HydrophobicContact CG2-CE 4.03Å; I424-M606 HydrophobicContact CG2-CG 3.95Å; I424-M606 HydrophobicContact CG2-SD 4.43Å
425	D	97.6	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.1	175.4	-152.1	25.4	0	0	0	112.2	K391 L423 F432 A433 V434 F594 N597	K391-D425 WeakPolarHBondContact CE-OD1 3.41Å; K391-D425 IonicContact NZ-OD1 3.96Å; K391-D425 PolarHBondContact NZ-OD1 3.47Å; L423-D425 VanDerWaalsContact C-N 3.32Å; D425-F432 HydrophobicContact CB-CE2 4.31Å; D425-A433 CarbonylContact O-C 3.55Å; D425-A433 WeakPolarHBondContact O-CA 3.33Å; D425-V434 HydrophobicContact CB-CB 4.42Å; D425-V434 HydrophobicContact CB-CG2 4.36Å; D425-V434 PolarHBondContact O-N 2.99Å; D425-F594 HydrophobicContact CB-CD2 3.69Å; D425-F594 HydrophobicContact CB-CE2 3.79Å; D425-N597 WeakPolarHBondContact OD2-CB 3.24Å; D425-N597 PolarHBondContact OD2-ND2 2.76Å
426	I	97.2	Very high	95.9	Very high	31 Å²	31	35.1 Å²	35.1	16%	0.159	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	129.5	174.1	-174.3	168.2	0	0	0	109.2	A381 F384 V388 K391 L423 M428 F432 A433	A381-I426 HydrophobicContact CB-CD1 4.19Å; A381-I426 HydrophobicContact CB-CG1 3.77Å; F384-I426 HydrophobicContact CB-CD1 4.19Å; V388-I426 HydrophobicContact CG2-CD1 4.19Å; K391-I426 HydrophobicContact CG-CG2 4.31Å; L423-I426 HydrophobicContact CD1-CB 4.14Å; L423-I426 HydrophobicContact CD1-CD1 3.91Å; L423-I426 HydrophobicContact CD1-CG2 4.27Å; I426-M428 HydrophobicContact CD1-SD 4.42Å; I426-F432 WeakPolarHBondContact CA-O 3.34Å; I426-A433 HydrophobicContact CB-CB 4.39Å; I426-A433 HydrophobicContact CD1-CB 4.47Å; I426-A433 HydrophobicContact CG1-CB 4.16Å
427	D	96.8	Very high	96.2	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.8	179.3	-171.2	-63.9	0	0	0	108.5	A381 E429 L430 D431 F432 K593	A381-D427 WeakPolarHBondContact CB-O 3.21Å; D427-E429 WeakPolarHBondContact OD1-CA 3.18Å; D427-E429 WeakPolarHBondContact OD1-CB 3.47Å; D427-E429 PolarHBondContact OD1-N 3.47Å; D427-L430 PolarHBondContact OD1-N 3.43Å; D427-D431 CarbonylContact O-C 3.6Å; D427-D431 WeakPolarHBondContact O-CA 3.39Å; D427-D431 PolarHBondContact O-N 3.16Å; D427-F432 HydrophobicContact CB-CD1 3.67Å; D427-F432 HydrophobicContact CB-CE1 3.26Å; D427-F432 HydrophobicContact CB-CG 4.45Å; D427-F432 HydrophobicContact CB-CZ 3.73Å; D427-F432 PolarHBondContact N-O 3.21Å; D427-F432 PolarHBondContact O-N 2.97Å; D427-K593 WeakPolarHBondContact OD2-CE 3.49Å
428	M	93.9	Very high	96.2	Very high	98 Å²	98	35.8 Å²	35.8	48%	0.483	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.2	-178	-64.5	-63	-60.6	0	0	112.8	A381 R385 I426	A381-M428 HydrophobicContact CB-SD 3.65Å; R385-M428 HydrophobicContact CB-CE 4.38Å; R385-M428 HydrophobicContact CG-CE 4.4Å; I426-M428 HydrophobicContact CD1-SD 4.42Å
429	E	92.5	Very high	95.5	Very high	171 Å²	171	36.9 Å²	36.9	80%	0.799	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-49.8	-177.8	-61.5	-173	170.9	0	0	111	D427	D427-E429 WeakPolarHBondContact OD1-CA 3.18Å; D427-E429 WeakPolarHBondContact OD1-CB 3.47Å; D427-E429 PolarHBondContact OD1-N 3.47Å
430	L	94.4	Very high	94.2	Very high	40 Å²	40	43.5 Å²	43.5	21%	0.209	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.7	170.1	-67.6	-176.6	0	0	0	112.7	D427 F432 T589 I590 K593	D427-L430 PolarHBondContact OD1-N 3.43Å; L430-F432 HydrophobicContact CB-CD1 3.81Å; L430-F432 HydrophobicContact CB-CE1 4.15Å; L430-F432 HydrophobicContact CD1-CE1 4.41Å; L430-F432 PolarHBondContact O-N 3.1Å; L430-T589 HydrophobicContact CD1-CG2 4.13Å; L430-T589 HydrophobicContact CD2-CG2 4.36Å; L430-I590 HydrophobicContact CB-CG1 4.34Å; L430-I590 HydrophobicContact CD1-CG1 4.47Å; L430-K593 HydrophobicContact CD1-CB 3.66Å; L430-K593 HydrophobicContact CD1-CG 3.94Å
431	D	96.7	Very high	92.4	Very high	16 Å²	16	41 Å²	41	9%	0.086	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	51.7	174.2	-173.6	38.3	0	0	0	113.2	N380 A381 H382 D427 T566	N380-D431 WeakPolarHBondContact CA-O 3.39Å; N380-D431 WeakPolarHBondContact CB-O 3.48Å; N380-D431 PolarHBondContact ND2-O 2.76Å; N380-D431 PolarHBondContact ND2-OD2 2.95Å; A381-D431 PolarHBondContact N-O 3.29Å; A381-D431 PolarHBondContact N-OD1 3.42Å; A381-D431 VanDerWaalsContact N-OD1 3.14Å; H382-D431 WeakPolarHBondContact CB-OD1 3.25Å; H382-D431 IonicContact CE1-OD2 2.7Å; H382-D431 PolarHBondContact CE1-OD2 3.32Å; H382-D431 IonicContact CG-OD1 3.57Å; H382-D431 IonicContact CG-OD2 3.28Å; H382-D431 PolarHBondContact N-OD1 3.23Å; H382-D431 VanDerWaalsContact ND1-CG 3.31Å; H382-D431 IonicContact ND1-OD1 2.72Å; H382-D431 PolarHBondContact ND1-OD1 2.57Å; H382-D431 VanDerWaalsContact ND1-OD1 3.14Å; H382-D431 IonicContact ND1-OD2 3.72Å; H382-D431 PolarHBondContact ND1-OD2 2.91Å; D427-D431 CarbonylContact O-C 3.6Å; D427-D431 WeakPolarHBondContact O-CA 3.39Å; D427-D431 PolarHBondContact O-N 3.16Å; D431-T566 HydrophobicContact CB-CG2 4.31Å; D431-T566 WeakPolarHBondContact OD2-CG2 3.31Å
432	F	98.1	Very high	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.4	175.8	79.2	-91	0	0	0	112.8	L378 T379 A381 D425 I426 D427 L430 V434 I590 K593 F594	L378-F432 HydrophobicContact CD1-CB 4.14Å; L378-F432 HydrophobicContact CD1-CD2 4.01Å; L378-F432 HydrophobicContact CD1-CG 4.48Å; T379-F432 CarbonylContact O-C 3.52Å; T379-F432 WeakPolarHBondContact O-CA 3.36Å; A381-F432 WeakPolarHBondContact CB-O 3.29Å; D425-F432 HydrophobicContact CB-CE2 4.31Å; I426-F432 WeakPolarHBondContact CA-O 3.34Å; D427-F432 HydrophobicContact CB-CD1 3.67Å; D427-F432 HydrophobicContact CB-CE1 3.26Å; D427-F432 HydrophobicContact CB-CG 4.45Å; D427-F432 HydrophobicContact CB-CZ 3.73Å; D427-F432 PolarHBondContact N-O 3.21Å; D427-F432 PolarHBondContact O-N 2.97Å; L430-F432 HydrophobicContact CB-CD1 3.81Å; L430-F432 HydrophobicContact CB-CE1 4.15Å; L430-F432 HydrophobicContact CD1-CE1 4.41Å; L430-F432 PolarHBondContact O-N 3.1Å; F432-V434 HydrophobicContact CD2-CG2 4.2Å; F432-V434 HydrophobicContact CE2-CG2 4.27Å; F432-I590 HydrophobicContact CB-CD1 4.31Å; F432-I590 HydrophobicContact CB-CG1 4.49Å; F432-I590 HydrophobicContact CB-CG2 3.94Å; F432-I590 HydrophobicContact CD1-CB 4.34Å; F432-I590 HydrophobicContact CD1-CG1 4.08Å; F432-I590 HydrophobicContact CD1-CG2 3.7Å; F432-I590 HydrophobicContact CD2-CG2 3.87Å; F432-I590 HydrophobicContact CE1-CG2 4.14Å; F432-I590 HydrophobicContact CE2-CG2 4.32Å; F432-I590 HydrophobicContact CG-CG1 4.48Å; F432-I590 HydrophobicContact CG-CG2 3.55Å; F432-I590 HydrophobicContact CZ-CG2 4.44Å; F432-K593 HydrophobicContact CE1-CB 4.23Å; F432-K593 HydrophobicContact CE1-CG 4.01Å; F432-K593 HydrophobicContact CZ-CB 4.49Å; F432-K593 HydrophobicContact CZ-CG 4.28Å; F432-F594 HydrophobicContact CE2-CB 4.13Å; F432-F594 HydrophobicContact CE2-CD2 4.44Å; F432-F594 HydrophobicContact CZ-CB 4.19Å
433	A	98.4	Very high	89.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.8	172.1	0	0	0	0	0	110.7	T379 F384 D425 I426	T379-A433 HydrophobicContact CG2-CB 4.23Å; T379-A433 PolarHBondContact N-O 3.04Å; T379-A433 PolarHBondContact O-N 3.02Å; F384-A433 HydrophobicContact CD2-CB 3.88Å; F384-A433 HydrophobicContact CE2-CB 3.75Å; D425-A433 CarbonylContact O-C 3.55Å; D425-A433 WeakPolarHBondContact O-CA 3.33Å; I426-A433 HydrophobicContact CB-CB 4.39Å; I426-A433 HydrophobicContact CD1-CB 4.47Å; I426-A433 HydrophobicContact CG1-CB 4.16Å
434	V	98.5	Very high	87.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.7	178	-175.8	0	0	0	0	109.1	F376 V377 L378 I424 D425 F432 F594	F376-V434 HydrophobicContact CB-CG1 4.31Å; V377-V434 WeakPolarHBondContact O-CA 3.27Å; L378-V434 HydrophobicContact CD1-CG2 3.86Å; I424-V434 HydrophobicContact CB-CB 4.1Å; I424-V434 HydrophobicContact CB-CG1 3.93Å; I424-V434 HydrophobicContact CG1-CG1 4.29Å; I424-V434 HydrophobicContact CG2-CG1 4.41Å; I424-V434 PolarHBondContact N-O 2.72Å; D425-V434 HydrophobicContact CB-CB 4.42Å; D425-V434 HydrophobicContact CB-CG2 4.36Å; D425-V434 PolarHBondContact O-N 2.99Å; F432-V434 HydrophobicContact CD2-CG2 4.2Å; F432-V434 HydrophobicContact CE2-CG2 4.27Å; V434-F594 HydrophobicContact CB-CE2 4.33Å; V434-F594 HydrophobicContact CG1-CE2 4.43Å; V434-F594 HydrophobicContact CG1-CZ 4.3Å; V434-F594 HydrophobicContact CG2-CD2 4.06Å; V434-F594 HydrophobicContact CG2-CE2 3.93Å; V434-F594 HydrophobicContact CG2-CZ 4.32Å
435	L	98.1	Very high	85.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.7	178.1	-43.4	-177.5	0	0	0	109.9	I359 F376 V377 T379 F384 V399 A419 L423	I359-L435 HydrophobicContact CD1-CD1 4.09Å; F376-L435 CarbonylContact C-O 3.53Å; F376-L435 WeakPolarHBondContact CA-O 3.27Å; V377-L435 HydrophobicContact CB-CB 4.32Å; V377-L435 PolarHBondContact N-O 3.48Å; V377-L435 PolarHBondContact O-N 3.24Å; T379-L435 HydrophobicContact CG2-CD1 4.17Å; T379-L435 HydrophobicContact CG2-CD2 4.47Å; T379-L435 HydrophobicContact CG2-CG 4.18Å; F384-L435 HydrophobicContact CE1-CD2 4.34Å; F384-L435 HydrophobicContact CE2-CD2 4.03Å; F384-L435 HydrophobicContact CZ-CD1 4.1Å; F384-L435 HydrophobicContact CZ-CD2 3.66Å; F384-L435 HydrophobicContact CZ-CG 4.44Å; V399-L435 HydrophobicContact CG1-CD1 4.04Å; A419-L435 HydrophobicContact CB-CB 4.48Å; L423-L435 HydrophobicContact CD2-CD2 3.05Å; L423-L435 HydrophobicContact CD2-CG 4.47Å
436	Q	97.1	Very high	83.8	Confident	44 Å²	44	54.6 Å²	54.6	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131	163.8	-172.7	174	25.4	0	0	109.6	F376 A419 E420 I424	F376-Q436 HydrophobicContact CD1-CB 3.92Å; F376-Q436 HydrophobicContact CD1-CG 4Å; F376-Q436 HydrophobicContact CE1-CB 3.82Å; F376-Q436 HydrophobicContact CE1-CG 3.6Å; F376-Q436 HydrophobicContact CZ-CG 4.28Å; A419-Q436 CarbonylContact C-O 3.52Å; A419-Q436 WeakPolarHBondContact CA-O 3.35Å; E420-Q436 HydrophobicContact CB-CB 4.37Å; E420-Q436 HydrophobicContact CG-CB 4.06Å; E420-Q436 HydrophobicContact CG-CG 4.17Å; E420-Q436 PolarHBondContact N-O 2.98Å; I424-Q436 HydrophobicContact CD1-CB 4.14Å; I424-Q436 HydrophobicContact CG1-CB 4.19Å
437	L	96.1	Very high	81.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-87.4	140	177	-57.3	179.1	0	0	0	111.5	R375 V377 A401 F403 F417 V455	R375-L437 HydrophobicContact CB-CB 4.25Å; R375-L437 PolarHBondContact NE-O 3.15Å; R375-L437 VanDerWaalsContact NE-O 3.08Å; R375-L437 WeakPolarHBondContact O-CB 3.12Å; R375-L437 WeakPolarHBondContact O-CG 3.05Å; R375-L437 PolarHBondContact O-N 3.38Å; V377-L437 HydrophobicContact CG2-CD1 3.74Å; V377-L437 HydrophobicContact CG2-CD2 4.24Å; V377-L437 HydrophobicContact CG2-CG 3.96Å; A401-L437 HydrophobicContact CB-CD1 4.36Å; A401-L437 HydrophobicContact CB-CD2 3.74Å; F403-L437 HydrophobicContact CE2-CD1 3.93Å; F403-L437 HydrophobicContact CZ-CD1 4.07Å; F417-L437 HydrophobicContact CB-CB 4.04Å; F417-L437 HydrophobicContact CB-CD1 4.01Å; F417-L437 HydrophobicContact CB-CD2 4.11Å; F417-L437 HydrophobicContact CB-CG 4.28Å; F417-L437 HydrophobicContact CD2-CD1 4.31Å; F417-L437 HydrophobicContact CG-CD1 4.26Å; L437-V455 HydrophobicContact CD1-CG1 4.25Å; L437-V455 HydrophobicContact CD1-CG2 4.06Å
438	K	92.4	Very high	79.7	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.309	31%	0.31	S	S	.	.			trans	-68.5	136.8	175.2	-72.4	-177.9	176.6	-175.6	0	111	F417 S418 A419 E420 D440 G441	F417-K438 WeakPolarHBondContact CD1-O 3.22Å; S418-K438 WeakPolarHBondContact O-CB 3.35Å; S418-K438 PolarHBondContact O-N 2.74Å; A419-K438 WeakPolarHBondContact O-CE 3.46Å; E420-K438 HydrophobicContact CG-CG 4.23Å; E420-K438 WeakPolarHBondContact OE1-CG 3.21Å; E420-K438 WeakPolarHBondContact OE2-CE 3.44Å; K438-D440 VanDerWaalsContact C-N 3.27Å; K438-D440 PolarHBondContact O-N 2.98Å; K438-G441 PolarHBondContact O-N 3Å
439	P	80.3	Confident	77.7	Confident	50 Å²	50	64 Å²	64	33%	0.325	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.2	177.2	5.4	-10	0	0	0	113.1	R375 K442	R375-P439 VanDerWaalsContact NH1-CB 3.3Å; P439-K442 WeakPolarHBondContact O-CE 3.33Å
440	D	69.3	Low	75.9	Confident	148 Å²	148	60.6 Å²	60.6	79%	0.791	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5	-169.1	-54.7	-37.5	0	0	0	113.2	K438 K442	K438-D440 VanDerWaalsContact C-N 3.27Å; K438-D440 PolarHBondContact O-N 2.98Å; D440-K442 PolarHBondContact O-N 3.1Å
441	G	57.6	Low	73.8	Confident	10 Å²	10	65.2 Å²	65.2	10%	0.103	34%	0.344	C	S	.	.			trans	-69.4	15.6	-175.9	0	0	0	0	0	115.7	K438 K443	K438-G441 PolarHBondContact O-N 3Å; G441-K443 PolarHBondContact O-N 2.86Å
442	K	65.6	Low	72	Confident	98 Å²	98	71 Å²	71	43%	0.426	37%	0.374	S	S	.	.			trans	-77.7	111.5	-172.3	-57.2	179.5	-168.2	-172.8	0	110.3	F417 P439 D440 V453	F417-K442 HydrophobicContact CD1-CG 4.35Å; F417-K442 HydrophobicContact CE1-CD 4.47Å; F417-K442 HydrophobicContact CE1-CG 3.71Å; F417-K442 HydrophobicContact CZ-CG 4.28Å; P439-K442 WeakPolarHBondContact O-CE 3.33Å; D440-K442 PolarHBondContact O-N 3.1Å; K442-V453 WeakPolarHBondContact CE-O 3.44Å; K442-V453 PolarHBondContact NZ-O 3.2Å
443	K	64.6	Low	70.9	Confident	134 Å²	134	73 Å²	73	58%	0.583	39%	0.386	S	S	*	.			trans	-126	103.5	163.4	-68.9	-178.2	-178.6	-179	0	108.5	Y416 G441	Y416-K443 HydrophobicContact CD1-CB 4.46Å; Y416-K443 WeakPolarHBondContact CD1-O 3.49Å; Y416-K443 HydrophobicContact CE1-CB 3.57Å; Y416-K443 WeakPolarHBondContact CE1-O 3.44Å; Y416-K443 HydrophobicContact CE2-CB 4.18Å; Y416-K443 VanDerWaalsContact CZ-CB 3.44Å; Y416-K443 WeakPolarHBondContact OH-CB 3.29Å; Y416-K443 VanDerWaalsContact OH-CD 3.24Å; Y416-K443 WeakPolarHBondContact OH-CD 3.4Å; G441-K443 PolarHBondContact O-N 2.86Å
444	P	60	Low	70.3	Confident	60 Å²	60	80.9 Å²	80.9	39%	0.39	42%	0.421	S	S	.	.			trans	-59	146.2	169.9	23.2	-29.8	0	0	0	109	S448 P450	P444-S448 WeakPolarHBondContact CA-OG 3.21Å; P444-S448 WeakPolarHBondContact CB-OG 3.36Å; P444-P450 HydrophobicContact CG-CB 4.41Å
445	N	59.4	Low	69.9	Low	23 Å²	23	82.1 Å²	82.1	12%	0.123	43%	0.428	C	S	.	.			trans	-67.5	164.5	161.1	76	20.3	0	0	0	109.3	T412 Y414 K447 S448	T412-N445 PolarHBondContact O-ND2 2.87Å; Y414-N445 HydrophobicContact CE1-CB 4.4Å; N445-K447 PolarHBondContact O-N 2.82Å; N445-K447 PolarHBondContact OD1-N 2.72Å; N445-S448 PolarHBondContact N-OG 3.33Å; N445-S448 PolarHBondContact O-N 3.42Å; N445-S448 PolarHBondContact O-OG 3Å; N445-S448 VanDerWaalsContact O-OG 3.11Å; N445-S448 PolarHBondContact OD1-OG 2.99Å
446	S	52.8	Low	69.7	Low	132 Å²	132	82.7 Å²	82.7	92%	0.923	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-2.7	-170.1	59	0	0	0	0	116.9
447	K	54.5	Low	69.5	Low	133 Å²	133	85.6 Å²	85.6	58%	0.578	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-13.8	178.3	-66.3	-178.4	178.3	175.4	0	115.3	P410 N445	P410-K447 PolarHBondContact O-NZ 3.07Å; N445-K447 PolarHBondContact O-N 2.82Å; N445-K447 PolarHBondContact OD1-N 2.72Å
448	S	53.7	Low	69.5	Low	22 Å²	22	86.6 Å²	86.6	15%	0.154	47%	0.465	C	S	.	.	S	Bend	trans	-83.4	121.8	179.9	21.9	0	0	0	0	110.9	P444 N445	P444-S448 WeakPolarHBondContact CA-OG 3.21Å; P444-S448 WeakPolarHBondContact CB-OG 3.36Å; N445-S448 PolarHBondContact N-OG 3.33Å; N445-S448 PolarHBondContact O-N 3.42Å; N445-S448 PolarHBondContact O-OG 3Å; N445-S448 VanDerWaalsContact O-OG 3.11Å; N445-S448 PolarHBondContact OD1-OG 2.99Å
449	K	52	Low	69.7	Low	189 Å²	189	83.6 Å²	83.6	82%	0.822	45%	0.453	S	S	*	.			trans	-64.3	131.1	171	-77.5	-174	176.7	-175.5	0	109.3	D451	K449-D451 PolarHBondContact O-N 2.75Å; K449-D451 VanDerWaalsContact O-N 3.12Å
450	P	53.8	Low	70.5	Confident	100 Å²	100	81.4 Å²	81.4	65%	0.649	44%	0.438	S	S	*	.			trans	-88	80.9	-173.4	35	-32	0	0	0	109.9	P444	P444-P450 HydrophobicContact CG-CB 4.41Å
451	D	50.2	Low	71.6	Confident	137 Å²	137	76.3 Å²	76.3	73%	0.733	41%	0.411	S	S	*	.	S	Bend	trans	-133.1	106.4	163.4	-75.7	-46.7	0	0	0	109.5	K449 V453	K449-D451 PolarHBondContact O-N 2.75Å; K449-D451 VanDerWaalsContact O-N 3.12Å; D451-V453 PolarHBondContact O-N 2.83Å
452	N	59.6	Low	73.4	Confident	136 Å²	136	81.6 Å²	81.6	73%	0.727	43%	0.428	S	S	*	.			trans	58.5	45.7	163.6	-63.8	-31.4	0	0	0	118.3	K454	N452-K454 PolarHBondContact O-N 3.03Å
453	V	74.6	Confident	74.9	Confident	42 Å²	42	77 Å²	77	26%	0.255	41%	0.408	S	S	.	.			trans	-65	123	165	-175.8	0	0	0	0	109.8	F415 K442 D451	F415-V453 HydrophobicContact CB-CG1 3.9Å; F415-V453 HydrophobicContact CD1-CG1 3.53Å; F415-V453 HydrophobicContact CD2-CG1 3.24Å; F415-V453 HydrophobicContact CE1-CG1 3.69Å; F415-V453 HydrophobicContact CE2-CG1 3.41Å; F415-V453 VanDerWaalsContact CE2-CG1 3.41Å; F415-V453 HydrophobicContact CG-CG1 3.29Å; F415-V453 HydrophobicContact CZ-CG1 3.63Å; K442-V453 WeakPolarHBondContact CE-O 3.44Å; K442-V453 PolarHBondContact NZ-O 3.2Å; D451-V453 PolarHBondContact O-N 2.83Å
454	K	85.7	Confident	76.4	Confident	166 Å²	166	70.7 Å²	70.7	72%	0.722	38%	0.38	S	S	*	.			trans	-110.6	154.5	177.8	-65.9	-176.1	179.9	-176.6	0	109.7	N452	N452-K454 PolarHBondContact O-N 3.03Å
455	V	91	Very high	78.1	Confident	27 Å²	27	69.7 Å²	69.7	16%	0.164	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-58.1	131.3	168.5	-178.9	0	0	0	0	107.9	V371 D374 R375 F403 F417 L437	V371-V455 HydrophobicContact CB-CG1 4.44Å; V371-V455 HydrophobicContact CG1-CG1 3.92Å; V371-V455 HydrophobicContact CG2-CG1 3.6Å; D374-V455 WeakPolarHBondContact O-CG1 3.38Å; R375-V455 HydrophobicContact CG-CG2 4.16Å; F403-V455 HydrophobicContact CZ-CG1 4.39Å; F417-V455 HydrophobicContact CD1-CG2 4.44Å; F417-V455 HydrophobicContact CD2-CG2 4.22Å; F417-V455 HydrophobicContact CE1-CG2 4.09Å; F417-V455 HydrophobicContact CE2-CG2 3.84Å; F417-V455 HydrophobicContact CG-CG2 4.5Å; F417-V455 HydrophobicContact CZ-CG2 3.78Å; L437-V455 HydrophobicContact CD1-CG1 4.25Å; L437-V455 HydrophobicContact CD1-CG2 4.06Å
456	P	93.1	Very high	79.7	Confident	14 Å²	14	71.1 Å²	71.1	9%	0.091	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-60.2	159.6	177.8	-26	37	0	0	0	112.4	K354 F403 F415	K354-P456 HydrophobicContact CB-CB 4.38Å; K354-P456 WeakPolarHBondContact O-CB 3.34Å; K354-P456 VanDerWaalsContact O-CG 3.25Å; K354-P456 WeakPolarHBondContact O-CG 3.11Å; F403-P456 HydrophobicContact CD1-CG 3.57Å; F403-P456 HydrophobicContact CE1-CG 3.94Å; F403-P456 HydrophobicContact CG-CG 4.13Å; F415-P456 HydrophobicContact CZ-CG 4.22Å
457	P	93.5	Very high	81.5	Confident	106 Å²	106	66.2 Å²	66.2	69%	0.688	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-55.4	142.1	177.3	-25.1	34.7	0	0	0	112.6	S355	S355-P457 VanDerWaalsContact CB-O 3.23Å; S355-P457 WeakPolarHBondContact CB-O 3.27Å; S355-P457 PolarHBondContact OG-O 3.21Å
458	G	95.5	Very high	82.7	Confident	21 Å²	21	70.2 Å²	70.2	22%	0.216	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68.1	169.8	174.5	0	0	0	0	0	113.5	V371 L372	V371-G458 CarbonylContact O-C 3.55Å; V371-G458 VanDerWaalsContact O-CA 3.26Å; V371-G458 WeakPolarHBondContact O-CA 3.09Å; L372-G458 CarbonylContact O-C 3.59Å; L372-G458 VanDerWaalsContact O-CA 3.31Å; L372-G458 WeakPolarHBondContact O-CA 3.48Å
459	L	96.6	Very high	84.1	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.042	38%	0.375	C	S	.	.			trans	-118.8	6	179.3	-56.9	174.7	0	0	0	113.7	M352 F370 V371 L372 D461 R462 F463 F555 I561	M352-L459 HydrophobicContact CB-CD2 3.97Å; M352-L459 HydrophobicContact CG-CD2 4.21Å; F370-L459 HydrophobicContact CB-CD1 4.11Å; F370-L459 HydrophobicContact CD2-CB 4.15Å; F370-L459 HydrophobicContact CD2-CD1 3.79Å; F370-L459 HydrophobicContact CD2-CG 4.32Å; F370-L459 HydrophobicContact CE2-CB 4.38Å; F370-L459 HydrophobicContact CG-CD1 4.18Å; V371-L459 PolarHBondContact O-N 3.15Å; L372-L459 PolarHBondContact O-N 3.48Å; L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 3.09Å; L459-R462 WeakPolarHBondContact O-CB 3.41Å; L459-R462 PolarHBondContact O-N 2.89Å; L459-F463 WeakPolarHBondContact O-CD1 3.34Å; L459-F555 HydrophobicContact CD1-CZ 4.38Å; L459-I561 HydrophobicContact CB-CD1 3.45Å; L459-I561 VanDerWaalsContact CB-CD1 3.45Å; L459-I561 HydrophobicContact CD1-CD1 3.27Å; L459-I561 HydrophobicContact CD2-CD1 4.23Å; L459-I561 HydrophobicContact CG-CD1 3.8Å
460	L	96.6	Very high	85.5	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-56	-43.2	-178	-177	68.6	0	0	0	112.2	L372 F373 R462 F463 F591 A613 A614 L620	L372-L460 HydrophobicContact CD1-CB 4.35Å; L372-L460 HydrophobicContact CD1-CD1 3.79Å; L372-L460 HydrophobicContact CG-CB 4.45Å; L372-L460 HydrophobicContact CG-CD1 4.2Å; L372-L460 VanDerWaalsContact O-CB 3.23Å; L372-L460 WeakPolarHBondContact O-CB 3.44Å; L372-L460 PolarHBondContact O-N 3.34Å; F373-L460 HydrophobicContact CB-CB 4.48Å; F373-L460 HydrophobicContact CD1-CD2 3.78Å; F373-L460 HydrophobicContact CE1-CD2 4.31Å; F373-L460 HydrophobicContact CG-CD2 4.42Å; L460-R462 PolarHBondContact O-N 3.21Å; L460-R462 VanDerWaalsContact O-N 3.08Å; L460-F463 HydrophobicContact CD1-CD2 4.09Å; L460-F463 HydrophobicContact CD1-CE1 4.38Å; L460-F463 HydrophobicContact CD1-CE2 3.89Å; L460-F463 HydrophobicContact CD1-CG 4.43Å; L460-F463 HydrophobicContact CD1-CZ 4.06Å; L460-F463 WeakPolarHBondContact O-CB 3.2Å; L460-F463 WeakPolarHBondContact O-CD1 3.12Å; L460-F463 WeakPolarHBondContact O-CG 3.17Å; L460-F463 PolarHBondContact O-N 3.11Å; L460-F463 VanDerWaalsContact O-N 3.09Å; L460-F591 HydrophobicContact CD1-CD2 3.73Å; L460-F591 HydrophobicContact CD1-CE2 3.63Å; L460-F591 HydrophobicContact CD2-CE2 4.28Å; L460-A613 HydrophobicContact CD2-CB 3.75Å; L460-A614 HydrophobicContact CD2-CB 4.46Å; L460-L620 HydrophobicContact CD1-CD1 3.68Å; L460-L620 HydrophobicContact CD2-CD1 4.3Å; L460-L620 HydrophobicContact CG-CD1 3.58Å; L460-L620 WeakPolarHBondContact O-CD1 3.42Å
461	D	94	Very high	86.9	Confident	42 Å²	42	64 Å²	64	23%	0.225	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61	-18.9	178.1	71.2	-43.2	0	0	0	113.5	L459 N617	L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 3.09Å; D461-N617 PolarHBondContact O-ND2 2.83Å
462	R	95.2	Very high	88.8	Confident	120 Å²	120	57.4 Å²	57.4	45%	0.453	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-92.7	2.9	179	-57.3	-58.2	175.6	-141.4	-13.1	114.2	M352 L459 L460 G464 R560 I561	M352-R462 HydrophobicContact SD-CG 4.45Å; L459-R462 WeakPolarHBondContact O-CB 3.41Å; L459-R462 PolarHBondContact O-N 2.89Å; L460-R462 PolarHBondContact O-N 3.21Å; L460-R462 VanDerWaalsContact O-N 3.08Å; R462-G464 PolarHBondContact O-N 2.64Å; R462-R560 CarbonylContact O-C 3.23Å; R462-R560 VanDerWaalsContact O-CA 3.32Å; R462-R560 WeakPolarHBondContact O-CA 3.44Å; R462-R560 WeakPolarHBondContact O-CB 3.41Å; R462-I561 HydrophobicContact CB-CG1 4.12Å; R462-I561 PolarHBondContact O-N 3.48Å
463	F	97.3	Very high	90.3	Very high	3 Å²	3	51 Å²	51	1%	0.013	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-60	134.6	-179.8	-81.9	26.2	0	0	0	111	F370 L372 L378 L459 L460 I561 L587 L588 F591 N617 L620	F370-F463 HydrophobicContact CE2-CE1 4.13Å; F370-F463 HydrophobicContact CE2-CZ 4.43Å; F370-F463 HydrophobicContact CZ-CE1 4.47Å; L372-F463 HydrophobicContact CD1-CE1 4.03Å; L372-F463 HydrophobicContact CD1-CE2 4.2Å; L372-F463 HydrophobicContact CD1-CZ 3.41Å; L372-F463 VanDerWaalsContact CD1-CZ 3.41Å; L378-F463 HydrophobicContact CD2-CZ 4.39Å; L459-F463 WeakPolarHBondContact O-CD1 3.34Å; L460-F463 HydrophobicContact CD1-CD2 4.09Å; L460-F463 HydrophobicContact CD1-CE1 4.38Å; L460-F463 HydrophobicContact CD1-CE2 3.89Å; L460-F463 HydrophobicContact CD1-CG 4.43Å; L460-F463 HydrophobicContact CD1-CZ 4.06Å; L460-F463 WeakPolarHBondContact O-CB 3.2Å; L460-F463 WeakPolarHBondContact O-CD1 3.12Å; L460-F463 WeakPolarHBondContact O-CG 3.17Å; L460-F463 PolarHBondContact O-N 3.11Å; L460-F463 VanDerWaalsContact O-N 3.09Å; F463-I561 CarbonylContact C-O 3.19Å; F463-I561 WeakPolarHBondContact CA-O 3.12Å; F463-L587 HydrophobicContact CD1-CD1 4.09Å; F463-L587 HydrophobicContact CD2-CB 3.77Å; F463-L587 HydrophobicContact CE1-CB 4.48Å; F463-L587 HydrophobicContact CE1-CD1 3.73Å; F463-L587 HydrophobicContact CE1-CD2 4.46Å; F463-L587 HydrophobicContact CE1-CG 4.45Å; F463-L587 HydrophobicContact CE2-CB 3.66Å; F463-L587 HydrophobicContact CE2-CD1 4.34Å; F463-L587 HydrophobicContact CE2-CD2 4.06Å; F463-L587 HydrophobicContact CE2-CG 4.22Å; F463-L587 HydrophobicContact CG-CB 4.23Å; F463-L587 HydrophobicContact CZ-CB 4.03Å; F463-L587 HydrophobicContact CZ-CD1 3.86Å; F463-L587 HydrophobicContact CZ-CD2 3.77Å; F463-L587 HydrophobicContact CZ-CG 4.1Å; F463-L588 HydrophobicContact CB-CD2 4.05Å; F463-F591 HydrophobicContact CD2-CB 4.33Å; F463-F591 HydrophobicContact CE2-CB 4.21Å; F463-N617 PolarHBondContact O-ND2 3.07Å; F463-L620 HydrophobicContact CB-CD1 4.43Å; F463-L620 HydrophobicContact CB-CD2 3.95Å; F463-L620 HydrophobicContact CB-CG 4.42Å; F463-L620 HydrophobicContact CD2-CD2 3.93Å; F463-L620 HydrophobicContact CG-CD2 4.33Å
464	G	95.7	Very high	91.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.			trans	-133.9	162.9	-177.5	0	0	0	0	0	112.3	R462 I561 F562	R462-G464 PolarHBondContact O-N 2.64Å; G464-I561 PolarHBondContact N-O 2.86Å; G464-F562 WeakPolarHBondContact O-CA 3.01Å
465	P	95.2	Very high	91.6	Very high	40 Å²	40	41.2 Å²	41.2	26%	0.26	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-66.6	152.4	176.3	30.2	-35.6	0	0	0	111	P467 F562 L588 Y619	P465-P467 VanDerWaalsContact O-CD 3.22Å; P465-P467 WeakPolarHBondContact O-CD 3.39Å; P465-F562 WeakPolarHBondContact O-CB 3.36Å; P465-L588 HydrophobicContact CB-CD1 4.35Å; P465-Y619 HydrophobicContact CG-CE1 4.26Å
466	L	93.6	Very high	91.8	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-59	117.9	171.2	177.3	64.8	0	0	0	109.9	A539 F562 P586	L466-A539 HydrophobicContact CD1-CB 3.65Å; L466-F562 HydrophobicContact CD1-CD2 3.75Å; L466-F562 HydrophobicContact CD1-CE2 4.02Å; L466-P586 HydrophobicContact CB-CB 4.42Å; L466-P586 HydrophobicContact CB-CG 4.42Å; L466-P586 HydrophobicContact CD2-CG 4.01Å
467	P	90.1	Very high	91.9	Very high	29 Å²	29	39.2 Å²	39.2	19%	0.188	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-71.8	138.9	174.3	-13.8	29	0	0	0	110.3	P465 N469 I490 D556 F562	P465-P467 VanDerWaalsContact O-CD 3.22Å; P465-P467 WeakPolarHBondContact O-CD 3.39Å; P467-N469 VanDerWaalsContact C-N 3.29Å; P467-N469 WeakPolarHBondContact CB-O 3.18Å; P467-N469 PolarHBondContact O-N 3.42Å; P467-I490 HydrophobicContact CB-CD1 3.75Å; P467-I490 HydrophobicContact CG-CD1 3.98Å; P467-D556 HydrophobicContact CG-CB 4.01Å; P467-F562 HydrophobicContact CG-CB 4.49Å; P467-F562 HydrophobicContact CG-CD1 3.93Å; P467-F562 HydrophobicContact CG-CE1 4.21Å; P467-F562 HydrophobicContact CG-CG 4.08Å
468	R	80.2	Confident	91.7	Very high	216 Å²	216	34.2 Å²	34.2	82%	0.815	17%	0.171	S	C	*	.	S	Bend	trans	-67.8	-30.9	175.7	-69	-172.5	177.8	-173.3	-1.5	112.9	E492	R468-E492 WeakPolarHBondContact O-CG 3.33Å
469	N	82.7	Confident	91.2	Very high	97 Å²	97	35.7 Å²	35.7	52%	0.519	18%	0.181	S	C	.	.	S	Bend	trans	-156.4	177.7	177.8	61.7	50	0	0	0	109.5	P467 E492	P467-N469 VanDerWaalsContact C-N 3.29Å; P467-N469 WeakPolarHBondContact CB-O 3.18Å; P467-N469 PolarHBondContact O-N 3.42Å; N469-E492 HydrophobicContact CB-CG 3.64Å; N469-E492 VanDerWaalsContact CB-OE1 3.29Å; N469-E492 WeakPolarHBondContact CB-OE1 3.4Å
470	G	81	Confident	90.6	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-161.2	169.8	0	0	0	0	0	113.6	C489 I490	G470-C489 WeakPolarHBondContact O-CA 3.43Å; G470-I490 PolarHBondContact O-N 3.24Å
471	E	83.6	Confident	90.2	Very high	53 Å²	53	36.9 Å²	36.9	25%	0.248	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	137.3	-169.6	-41	178.5	149.4	0	0	110.1	S339 R345 A557	S339-E471 VanDerWaalsContact CA-OE1 3.29Å; S339-E471 WeakPolarHBondContact CA-OE1 3.49Å; S339-E471 WeakPolarHBondContact CB-OE1 3.09Å; S339-E471 WeakPolarHBondContact CB-OE2 3.34Å; S339-E471 WeakPolarHBondContact OG-CG 3.01Å; S339-E471 PolarHBondContact OG-OE1 3.16Å; R345-E471 IonicContact CZ-OE2 3.81Å; R345-E471 IonicContact NH1-OE2 2.83Å; R345-E471 PolarHBondContact NH1-OE2 2.85Å; R345-E471 IonicContact NH2-OE2 2.9Å; R345-E471 PolarHBondContact NH2-OE2 2.72Å; E471-A557 HydrophobicContact CB-CB 4.18Å; E471-A557 HydrophobicContact CG-CB 4.42Å; E471-A557 WeakPolarHBondContact OE2-CB 3.42Å
472	A	89.4	Confident	90	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.4	174.6	0	0	0	0	0	110.3	T488 I490 V554 F555 F562	A472-T488 HydrophobicContact CB-CG2 3.85Å; A472-T488 PolarHBondContact N-O 2.77Å; A472-T488 CarbonylContact O-C 3.49Å; A472-T488 PolarHBondContact O-N 3.19Å; A472-I490 HydrophobicContact CB-CG1 4.13Å; A472-V554 HydrophobicContact CB-CG1 4.03Å; A472-F555 CarbonylContact C-O 3.6Å; A472-F555 WeakPolarHBondContact CA-O 3.38Å; A472-F562 HydrophobicContact CB-CE1 4.19Å; A472-F562 HydrophobicContact CB-CZ 4.03Å
473	C	90.6	Very high	89.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.3	173	-157.5	0	0	0	0	109.6	F340 L349 I485 D486 V554 F555	F340-C473 HydrophobicContact CE1-CB 3.59Å; F340-C473 WeakPolarHBondContact CE1-SG 3.12Å; F340-C473 HydrophobicContact CZ-CB 3.46Å; F340-C473 VanDerWaalsContact CZ-CB 3.46Å; L349-C473 HydrophobicContact CD2-CB 4.32Å; C473-I485 WeakPolarHBondContact SG-CG2 3.26Å; C473-D486 WeakPolarHBondContact CA-O 3.4Å; C473-V554 CarbonylContact O-C 3.56Å; C473-V554 WeakPolarHBondContact O-CA 3.49Å; C473-F555 HydrophobicContact CB-CB 4.09Å; C473-F555 PolarHBondContact N-O 2.89Å; C473-F555 WeakPolarHBondContact O-CD2 3.45Å; C473-F555 PolarHBondContact O-N 2.72Å
474	L	93.9	Very high	89.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143	168.7	-66.9	84.9	0	0	0	109.5	I485 D486 T488 Y541 M545 V554 H565	L474-I485 CarbonylContact O-C 3.51Å; L474-I485 WeakPolarHBondContact O-CA 3.42Å; L474-D486 HydrophobicContact CB-CB 4.36Å; L474-D486 PolarHBondContact N-O 3.46Å; L474-D486 PolarHBondContact O-N 3Å; L474-T488 HydrophobicContact CD1-CG2 3.51Å; L474-Y541 HydrophobicContact CD1-CD2 4.11Å; L474-Y541 HydrophobicContact CD1-CE2 3.84Å; L474-Y541 HydrophobicContact CD2-CE2 3.7Å; L474-Y541 HydrophobicContact CG-CE2 4.33Å; L474-M545 HydrophobicContact CB-CE 4.5Å; L474-M545 HydrophobicContact CB-CG 4.32Å; L474-M545 HydrophobicContact CD2-CG 4.46Å; L474-V554 HydrophobicContact CD1-CG1 4.35Å; L474-V554 HydrophobicContact CG-CG1 4.34Å; L474-V554 HydrophobicContact CG-CG2 4.21Å; L474-H565 HydrophobicContact CD2-CB 3.85Å
475	I	95.1	Very high	89.2	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.8	169.2	-54.3	-176.2	0	0	0	107.9	L349 V356 K483 K484 I485 S552 P553 F555	L349-I475 HydrophobicContact CB-CD1 4.2Å; L349-I475 HydrophobicContact CD2-CD1 4.24Å; V356-I475 HydrophobicContact CB-CG2 4.26Å; V356-I475 HydrophobicContact CG1-CG2 4.34Å; V356-I475 HydrophobicContact CG2-CB 4.19Å; V356-I475 HydrophobicContact CG2-CG2 3.93Å; I475-K483 HydrophobicContact CG2-CD 3.8Å; I475-K483 HydrophobicContact CG2-CG 3.86Å; I475-K484 WeakPolarHBondContact CA-O 3.36Å; I475-I485 HydrophobicContact CD1-CD1 4.48Å; I475-I485 HydrophobicContact CD1-CG1 4.47Å; I475-I485 HydrophobicContact CG1-CG1 4.14Å; I475-I485 HydrophobicContact CG1-CG2 4.39Å; I475-I485 HydrophobicContact CG2-CG1 4.36Å; I475-S552 WeakPolarHBondContact O-CB 3.47Å; I475-P553 PolarHBondContact N-O 2.83Å; I475-P553 WeakPolarHBondContact O-CD 3.15Å; I475-F555 HydrophobicContact CB-CE2 4.11Å; I475-F555 HydrophobicContact CD1-CD2 4.12Å; I475-F555 HydrophobicContact CD1-CE2 3.56Å; I475-F555 HydrophobicContact CD1-CZ 4.08Å; I475-F555 HydrophobicContact CG1-CD2 4.09Å; I475-F555 HydrophobicContact CG1-CE2 3.69Å
476	G	95.4	Very high	88.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	-169.8	-176.1	0	0	0	0	0	115.6	P478 K483 K484 S552	G476-P478 VanDerWaalsContact C-CD 3.49Å; G476-P478 VanDerWaalsContact O-CD 3.23Å; G476-P478 WeakPolarHBondContact O-CD 3.35Å; G476-K483 CarbonylContact O-C 3.56Å; G476-K483 WeakPolarHBondContact O-CA 3.11Å; G476-K484 PolarHBondContact N-O 2.95Å; G476-K484 VanDerWaalsContact N-O 3.08Å; G476-K484 PolarHBondContact O-N 3.23Å; G476-S552 WeakPolarHBondContact CA-OG 3.2Å
477	H	93.8	Very high	88.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.			trans	-116.8	71.2	-172.3	-69.4	-82.4	0	0	0	112.1	K358 T368 Y405 A479 G480 S481 K483 G548	K358-H477 HydrophobicContact CB-CB 4.18Å; K358-H477 HydrophobicContact CG-CB 4.31Å; K358-H477 PolarHBondContact N-CD2 3.37Å; K358-H477 VanDerWaalsContact N-CD2 3.33Å; K358-H477 PolarHBondContact N-NE2 2.63Å; T368-H477 PolarHBondContact OG1-N 2.88Å; Y405-H477 AromaticContact CD1-CE1 3.99Å; Y405-H477 AromaticContact CD1-ND1 3.83Å; Y405-H477 PolarHBondContact O-CE1 3.27Å; H477-A479 PolarHBondContact O-N 3.03Å; H477-G480 WeakPolarHBondContact O-CA 3.34Å; H477-G480 PolarHBondContact O-N 3.09Å; H477-S481 PolarHBondContact ND1-O 2.98Å; H477-K483 VanDerWaalsContact CE1-CB 3.46Å; H477-K483 WeakPolarHBondContact CE1-CB 3.29Å; H477-K483 PolarHBondContact CE1-N 3.27Å; H477-K483 PolarHBondContact ND1-N 2.72Å; H477-G548 CarbonylContact O-C 3.47Å; H477-G548 VanDerWaalsContact O-C 3.23Å
478	P	89.4	Confident	88.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.3	140.1	177.9	29.9	-35.4	0	0	0	110	G476 G480 S481 K484 M545 Y546 A549	G476-P478 VanDerWaalsContact C-CD 3.49Å; G476-P478 VanDerWaalsContact O-CD 3.23Å; G476-P478 WeakPolarHBondContact O-CD 3.35Å; P478-G480 PolarHBondContact O-N 3.3Å; P478-G480 VanDerWaalsContact O-N 3.17Å; P478-S481 VanDerWaalsContact O-CB 3.24Å; P478-S481 WeakPolarHBondContact O-CB 3.35Å; P478-S481 PolarHBondContact O-N 2.9Å; P478-S481 PolarHBondContact O-OG 2.87Å; P478-K484 HydrophobicContact CG-CB 4.22Å; P478-K484 HydrophobicContact CG-CD 3.64Å; P478-K484 HydrophobicContact CG-CG 3.98Å; P478-M545 HydrophobicContact CB-SD 4.01Å; P478-M545 HydrophobicContact CG-SD 3.54Å; P478-M545 VanDerWaalsContact CG-SD 3.54Å; P478-Y546 HydrophobicContact CB-CE1 4.43Å; P478-A549 HydrophobicContact CB-CB 4.5Å
479	A	84.8	Confident	88.6	Confident	52 Å²	52	27.1 Å²	27.1	43%	0.43	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	57.1	13	-168.3	0	0	0	0	0	115.1	H477 S481 Y546 H547	H477-A479 PolarHBondContact O-N 3.03Å; A479-S481 PolarHBondContact O-N 2.74Å; A479-Y546 HydrophobicContact CB-CD2 4.34Å; A479-Y546 HydrophobicContact CB-CE2 3.33Å; A479-H547 WeakPolarHBondContact CA-O 3.38Å; A479-H547 PolarHBondContact N-O 3.38Å
480	G	85.4	Confident	88.9	Confident	3 Å²	3	23 Å²	23	3%	0.031	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	61.8	18.6	-163.1	0	0	0	0	0	113.6	K358 E366 H477 P478	K358-G480 WeakPolarHBondContact CD-O 3.48Å; K358-G480 WeakPolarHBondContact CE-O 3.43Å; K358-G480 PolarHBondContact NZ-O 3.46Å; E366-G480 WeakPolarHBondContact OE2-CA 3.31Å; H477-G480 WeakPolarHBondContact O-CA 3.34Å; H477-G480 PolarHBondContact O-N 3.09Å; P478-G480 PolarHBondContact O-N 3.3Å; P478-G480 VanDerWaalsContact O-N 3.17Å
481	S	87.6	Confident	89.4	Confident	33 Å²	33	22.4 Å²	22.4	23%	0.231	13%	0.129	C	C	.	.			trans	-74.8	-177	174.1	72.8	0	0	0	0	111.3	H477 P478 A479	H477-S481 PolarHBondContact ND1-O 2.98Å; P478-S481 VanDerWaalsContact O-CB 3.24Å; P478-S481 WeakPolarHBondContact O-CB 3.35Å; P478-S481 PolarHBondContact O-N 2.9Å; P478-S481 PolarHBondContact O-OG 2.87Å; A479-S481 PolarHBondContact O-N 2.74Å
482	V	89.8	Confident	89.8	Confident	36 Å²	36	21.4 Å²	21.4	22%	0.218	13%	0.125	C	C	.	.	S	Bend	trans	-51.5	149.3	175.5	-63.5	0	0	0	0	111.2	Y405 E407 P408 K484	Y405-V482 HydrophobicContact CE1-CG1 4.39Å; Y405-V482 WeakPolarHBondContact O-CA 3.45Å; E407-V482 VanDerWaalsContact C-CG1 3.43Å; P408-V482 HydrophobicContact CB-CG1 4.24Å; V482-K484 WeakPolarHBondContact O-CG 3.43Å; V482-K484 PolarHBondContact O-N 3.29Å
483	K	92.8	Very high	89.9	Confident	36 Å²	36	21.9 Å²	21.9	16%	0.157	13%	0.127	C	C	.	.			trans	-55.7	130.8	179.9	-169.8	158.5	54	-139.6	0	110.5	G353 V356 Y405 D406 I475 G476 H477	G353-K483 WeakPolarHBondContact O-CE 3.46Å; G353-K483 PolarHBondContact O-NZ 2.68Å; G353-K483 VanDerWaalsContact O-NZ 3.11Å; V356-K483 HydrophobicContact CB-CD 4.01Å; V356-K483 HydrophobicContact CG1-CD 4.1Å; Y405-K483 PolarHBondContact O-N 2.91Å; D406-K483 WeakPolarHBondContact OD1-CE 3.43Å; D406-K483 IonicContact OD1-NZ 2.71Å; D406-K483 PolarHBondContact OD1-NZ 3.26Å; D406-K483 IonicContact OD2-NZ 2.7Å; I475-K483 HydrophobicContact CG2-CD 3.8Å; I475-K483 HydrophobicContact CG2-CG 3.86Å; G476-K483 CarbonylContact O-C 3.56Å; G476-K483 WeakPolarHBondContact O-CA 3.11Å; H477-K483 VanDerWaalsContact CE1-CB 3.46Å; H477-K483 WeakPolarHBondContact CE1-CB 3.29Å; H477-K483 PolarHBondContact CE1-N 3.27Å; H477-K483 PolarHBondContact ND1-N 2.72Å
484	K	90.5	Very high	89.9	Confident	67 Å²	67	27.4 Å²	27.4	29%	0.291	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.2	176	-59.2	-168.2	-170.3	170	0	110.2	I475 G476 P478 V482 F544 M545	I475-K484 WeakPolarHBondContact CA-O 3.36Å; G476-K484 PolarHBondContact N-O 2.95Å; G476-K484 VanDerWaalsContact N-O 3.08Å; G476-K484 PolarHBondContact O-N 3.23Å; P478-K484 HydrophobicContact CG-CB 4.22Å; P478-K484 HydrophobicContact CG-CD 3.64Å; P478-K484 HydrophobicContact CG-CG 3.98Å; V482-K484 WeakPolarHBondContact O-CG 3.43Å; V482-K484 PolarHBondContact O-N 3.29Å; K484-F544 HydrophobicContact CB-CE2 4.08Å; K484-F544 HydrophobicContact CB-CZ 4.34Å; K484-F544 HydrophobicContact CD-CE2 3.77Å; K484-M545 VanDerWaalsContact C-CE 3.44Å; K484-M545 HydrophobicContact CB-CE 3.57Å; K484-M545 HydrophobicContact CB-SD 4.11Å; K484-M545 WeakPolarHBondContact O-CE 3.47Å
485	I	88.7	Confident	89.8	Confident	61 Å²	61	32.8 Å²	32.8	31%	0.313	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127	172.7	-59.3	-176.5	0	0	0	106.5	L350 C473 L474 I475	L350-I485 HydrophobicContact CD2-CD1 3.88Å; C473-I485 WeakPolarHBondContact SG-CG2 3.26Å; L474-I485 CarbonylContact O-C 3.51Å; L474-I485 WeakPolarHBondContact O-CA 3.42Å; I475-I485 HydrophobicContact CD1-CD1 4.48Å; I475-I485 HydrophobicContact CD1-CG1 4.47Å; I475-I485 HydrophobicContact CG1-CG1 4.14Å; I475-I485 HydrophobicContact CG1-CG2 4.39Å; I475-I485 HydrophobicContact CG2-CG1 4.36Å
486	D	88.3	Confident	89.7	Confident	13 Å²	13	32.9 Å²	32.9	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	101.8	177	-168.4	10.2	0	0	0	111.8	C473 L474 T488 T543 F544 M545	C473-D486 WeakPolarHBondContact CA-O 3.4Å; L474-D486 HydrophobicContact CB-CB 4.36Å; L474-D486 PolarHBondContact N-O 3.46Å; L474-D486 PolarHBondContact O-N 3Å; D486-T488 PolarHBondContact O-N 3.32Å; D486-T543 WeakPolarHBondContact OD2-CA 2.93Å; D486-T543 VanDerWaalsContact OD2-CB 3.28Å; D486-T543 WeakPolarHBondContact OD2-CB 3.34Å; D486-T543 PolarHBondContact OD2-OG1 3.02Å; D486-F544 HydrophobicContact CB-CD1 4.01Å; D486-F544 HydrophobicContact CB-CE1 3.46Å; D486-F544 VanDerWaalsContact CB-CE1 3.46Å; D486-F544 HydrophobicContact CB-CE2 4.38Å; D486-F544 HydrophobicContact CB-CZ 3.66Å; D486-F544 VanDerWaalsContact OD1-CD1 3.27Å; D486-F544 WeakPolarHBondContact OD1-CD1 3.41Å; D486-F544 WeakPolarHBondContact OD1-CE1 3.4Å; D486-F544 VanDerWaalsContact OD2-CD1 3.27Å; D486-F544 WeakPolarHBondContact OD2-CD1 3.39Å; D486-F544 PolarHBondContact OD2-N 3.17Å; D486-M545 HydrophobicContact CB-CE 3.61Å; D486-M545 HydrophobicContact CB-CG 3.84Å
487	P	85.2	Confident	89.5	Confident	37 Å²	37	38.2 Å²	38.2	24%	0.24	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	119.4	162	-31.9	43.2	0	0	0	113.5	I336 F340	I336-P487 HydrophobicContact CG2-CB 3.74Å; F340-P487 HydrophobicContact CD2-CB 3.36Å; F340-P487 HydrophobicContact CD2-CG 3.59Å; F340-P487 HydrophobicContact CE2-CB 3.37Å; F340-P487 HydrophobicContact CE2-CG 3.88Å; F340-P487 HydrophobicContact CG-CB 4.24Å; F340-P487 HydrophobicContact CG-CG 3.97Å; F340-P487 HydrophobicContact CZ-CB 4.25Å; F340-P487 HydrophobicContact CZ-CG 4.48Å
488	T	85.8	Confident	89.2	Confident	8 Å²	8	42.4 Å²	42.4	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	178.2	176.7	-167.6	0	0	0	0	112.7	A472 L474 D486 Y541 N542	A472-T488 HydrophobicContact CB-CG2 3.85Å; A472-T488 PolarHBondContact N-O 2.77Å; A472-T488 CarbonylContact O-C 3.49Å; A472-T488 PolarHBondContact O-N 3.19Å; L474-T488 HydrophobicContact CD1-CG2 3.51Å; D486-T488 PolarHBondContact O-N 3.32Å; T488-Y541 HydrophobicContact CG2-CD2 4.15Å; T488-Y541 HydrophobicContact CG2-CG 3.93Å; T488-N542 WeakPolarHBondContact CB-O 3.41Å; T488-N542 PolarHBondContact OG1-O 3.15Å
489	C	86.3	Confident	89.1	Confident	40 Å²	40	43 Å²	43	27%	0.27	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.7	175.2	-64.1	0	0	0	0	109.8	G470 I491 Y541	G470-C489 WeakPolarHBondContact O-CA 3.43Å; C489-I491 PolarHBondContact O-N 3.05Å; C489-Y541 WeakPolarHBondContact O-CB 3.48Å
490	I	89.9	Confident	89.3	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	125.3	171.2	-61.8	171.2	0	0	0	108.2	P467 G470 A472 S540 F562	P467-I490 HydrophobicContact CB-CD1 3.75Å; P467-I490 HydrophobicContact CG-CD1 3.98Å; G470-I490 PolarHBondContact O-N 3.24Å; A472-I490 HydrophobicContact CB-CG1 4.13Å; I490-S540 CarbonylContact C-O 3.59Å; I490-S540 WeakPolarHBondContact CA-O 3.4Å; I490-F562 HydrophobicContact CD1-CE1 4.47Å; I490-F562 HydrophobicContact CD1-CE2 4.39Å; I490-F562 HydrophobicContact CD1-CZ 3.94Å; I490-F562 HydrophobicContact CG1-CZ 4.34Å
491	I	90.5	Very high	89.4	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.097	23%	0.231	C	C	.	.			trans	-85.9	110.9	170.1	-59.4	168	0	0	0	106.6	C489 K495 R496 A499 S540 N542 I581	C489-I491 PolarHBondContact O-N 3.05Å; I491-K495 HydrophobicContact CG2-CB 4.1Å; I491-R496 HydrophobicContact CG2-CB 4.46Å; I491-R496 HydrophobicContact CG2-CG 3.79Å; I491-R496 PolarHBondContact O-NE 3.27Å; I491-A499 HydrophobicContact CD1-CB 4.25Å; I491-A499 HydrophobicContact CG2-CB 4.24Å; I491-S540 PolarHBondContact N-O 3.27Å; I491-S540 PolarHBondContact O-OG 3.13Å; I491-N542 WeakPolarHBondContact CD1-OD1 3.49Å; I491-I581 HydrophobicContact CD1-CD1 4.11Å; I491-I581 HydrophobicContact CD1-CG1 4.21Å; I491-I581 HydrophobicContact CG2-CD1 4.42Å
492	E	91.4	Very high	89.2	Confident	32 Å²	32	46.7 Å²	46.7	15%	0.15	23%	0.231	C	C	.	.			trans	-64.3	148.6	177.5	-54.7	94.8	146	0	0	110.4	R468 N469 E494 K495 R496	R468-E492 WeakPolarHBondContact O-CG 3.33Å; N469-E492 HydrophobicContact CB-CG 3.64Å; N469-E492 VanDerWaalsContact CB-OE1 3.29Å; N469-E492 WeakPolarHBondContact CB-OE1 3.4Å; E492-E494 WeakPolarHBondContact CB-OE2 3.37Å; E492-E494 PolarHBondContact O-N 2.72Å; E492-E494 VanDerWaalsContact O-N 3.08Å; E492-K495 WeakPolarHBondContact O-CA 3.38Å; E492-K495 PolarHBondContact O-N 3.03Å; E492-K495 IonicContact OE1-NZ 3.32Å; E492-K495 PolarHBondContact OE1-NZ 3.23Å; E492-K495 WeakPolarHBondContact OE2-CD 2.78Å; E492-K495 WeakPolarHBondContact OE2-CE 3.39Å; E492-K495 IonicContact OE2-NZ 3.53Å; E492-K495 PolarHBondContact OE2-NZ 3.29Å; E492-R496 PolarHBondContact O-N 2.88Å
493	P	91.8	Very high	88.9	Confident	9 Å²	9	47 Å²	47	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-43.6	-44.4	179.2	-34.7	41.8	0	0	0	113.9	K495 R496 M530 A535	P493-K495 PolarHBondContact O-N 2.95Å; P493-K495 VanDerWaalsContact O-N 3.15Å; P493-R496 WeakPolarHBondContact O-CB 2.92Å; P493-R496 PolarHBondContact O-N 2.85Å; P493-M530 VanDerWaalsContact C-CG 3.43Å; P493-M530 HydrophobicContact CB-CG 4.29Å; P493-M530 HydrophobicContact CB-SD 3.13Å; P493-M530 WeakPolarHBondContact CB-SD 3Å; P493-M530 VanDerWaalsContact O-CG 3.31Å; P493-M530 WeakPolarHBondContact O-CG 3.02Å; P493-A535 WeakPolarHBondContact CG-O 3.43Å
494	E	92.1	Very high	88.5	Confident	118 Å²	118	45.6 Å²	45.6	55%	0.551	22%	0.224	S	C	*	.	H	α-helix	trans	-64.5	-23	-178	-57	74.9	-165.7	0	0	113.1	E492 M530	E492-E494 WeakPolarHBondContact CB-OE2 3.37Å; E492-E494 PolarHBondContact O-N 2.72Å; E492-E494 VanDerWaalsContact O-N 3.08Å; E494-M530 VanDerWaalsContact CA-CG 3.48Å; E494-M530 HydrophobicContact CB-CG 4.42Å; E494-M530 HydrophobicContact CB-SD 4.23Å; E494-M530 HydrophobicContact CG-CE 3.75Å; E494-M530 HydrophobicContact CG-CG 4.38Å; E494-M530 HydrophobicContact CG-SD 3.71Å; E494-M530 PolarHBondContact N-SD 2.8Å
495	K	90.9	Very high	88.1	Confident	112 Å²	112	46.6 Å²	46.6	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-99.6	-9.7	-177.4	-56.4	-170.4	-160.8	150.1	0	113	I491 E492 P493 E497 Q498 A499	I491-K495 HydrophobicContact CG2-CB 4.1Å; E492-K495 WeakPolarHBondContact O-CA 3.38Å; E492-K495 PolarHBondContact O-N 3.03Å; E492-K495 IonicContact OE1-NZ 3.32Å; E492-K495 PolarHBondContact OE1-NZ 3.23Å; E492-K495 WeakPolarHBondContact OE2-CD 2.78Å; E492-K495 WeakPolarHBondContact OE2-CE 3.39Å; E492-K495 IonicContact OE2-NZ 3.53Å; E492-K495 PolarHBondContact OE2-NZ 3.29Å; P493-K495 PolarHBondContact O-N 2.95Å; P493-K495 VanDerWaalsContact O-N 3.15Å; K495-E497 PolarHBondContact O-N 3.37Å; K495-Q498 PolarHBondContact O-N 3.08Å; K495-A499 WeakPolarHBondContact O-CB 3.34Å; K495-A499 PolarHBondContact O-N 3.19Å
496	R	92.9	Very high	87.6	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-43.2	-176.9	-66.6	176.8	-176	169.5	-0.1	112.3	I491 E492 P493 Q498 A499 V500 I528 M529 A535 V538 S540 I581	I491-R496 HydrophobicContact CG2-CB 4.46Å; I491-R496 HydrophobicContact CG2-CG 3.79Å; I491-R496 PolarHBondContact O-NE 3.27Å; E492-R496 PolarHBondContact O-N 2.88Å; P493-R496 WeakPolarHBondContact O-CB 2.92Å; P493-R496 PolarHBondContact O-N 2.85Å; R496-Q498 VanDerWaalsContact C-N 3.34Å; R496-Q498 PolarHBondContact O-N 2.76Å; R496-A499 WeakPolarHBondContact O-CB 3.26Å; R496-A499 PolarHBondContact O-N 3.36Å; R496-V500 WeakPolarHBondContact O-CG2 3.46Å; R496-V500 PolarHBondContact O-N 2.68Å; R496-I528 WeakPolarHBondContact CD-O 3.21Å; R496-I528 PolarHBondContact NH1-O 3.49Å; R496-M529 HydrophobicContact CB-CE 4.1Å; R496-M529 HydrophobicContact CB-SD 3.66Å; R496-A535 PolarHBondContact NH1-O 2.83Å; R496-A535 PolarHBondContact NH2-O 3.45Å; R496-V538 PolarHBondContact NH2-O 2.83Å; R496-S540 PolarHBondContact NE-OG 3.46Å; R496-S540 PolarHBondContact NH2-OG 3.46Å; R496-I581 HydrophobicContact CB-CD1 4.12Å; R496-I581 HydrophobicContact CG-CD1 3.87Å
497	E	91.1	Very high	87.2	Confident	113 Å²	113	50.7 Å²	50.7	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-43.4	178.4	-166.2	-167.6	174.4	0	0	111.3	K495 V500 K501 M529	K495-E497 PolarHBondContact O-N 3.37Å; E497-V500 PolarHBondContact O-N 3.14Å; E497-K501 HydrophobicContact CG-CD 4.44Å; E497-K501 WeakPolarHBondContact O-CG 3.13Å; E497-K501 PolarHBondContact O-N 3.2Å; E497-K501 WeakPolarHBondContact OE1-CE 3.47Å; E497-K501 IonicContact OE1-NZ 2.72Å; E497-K501 PolarHBondContact OE1-NZ 3.19Å; E497-K501 IonicContact OE2-NZ 2.75Å; E497-M529 HydrophobicContact CB-SD 4.49Å
498	Q	87.7	Confident	86.8	Confident	88 Å²	88	57.1 Å²	57.1	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-38.2	176.8	-170.5	59.9	51	0	0	111.6	K495 R496 V500 K501 D502	K495-Q498 PolarHBondContact O-N 3.08Å; R496-Q498 VanDerWaalsContact C-N 3.34Å; R496-Q498 PolarHBondContact O-N 2.76Å; Q498-V500 VanDerWaalsContact C-N 3.35Å; Q498-V500 PolarHBondContact O-N 3.2Å; Q498-K501 PolarHBondContact O-N 2.81Å; Q498-D502 PolarHBondContact NE2-OD1 2.97Å; Q498-D502 VanDerWaalsContact O-CB 3.31Å; Q498-D502 WeakPolarHBondContact O-CB 3.42Å; Q498-D502 VanDerWaalsContact O-CG 3.27Å; Q498-D502 PolarHBondContact O-N 3.17Å
499	A	88.3	Confident	86.7	Confident	13 Å²	13	60.8 Å²	60.8	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-43.8	175.7	0	0	0	0	0	111.7	I491 K495 R496 D502 H503	I491-A499 HydrophobicContact CD1-CB 4.25Å; I491-A499 HydrophobicContact CG2-CB 4.24Å; K495-A499 WeakPolarHBondContact O-CB 3.34Å; K495-A499 PolarHBondContact O-N 3.19Å; R496-A499 WeakPolarHBondContact O-CB 3.26Å; R496-A499 PolarHBondContact O-N 3.36Å; A499-D502 PolarHBondContact O-N 3.46Å; A499-H503 WeakPolarHBondContact O-CB 3.13Å; A499-H503 PolarHBondContact O-N 2.75Å
500	V	88.9	Confident	86.5	Confident	16 Å²	16	67.7 Å²	67.7	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-47.7	174.2	173.3	0	0	0	0	111.1	R496 E497 Q498 D502 H503 L504 L520 I525 M529 V580 I581	R496-V500 WeakPolarHBondContact O-CG2 3.46Å; R496-V500 PolarHBondContact O-N 2.68Å; E497-V500 PolarHBondContact O-N 3.14Å; Q498-V500 VanDerWaalsContact C-N 3.35Å; Q498-V500 PolarHBondContact O-N 3.2Å; V500-D502 VanDerWaalsContact C-N 3.35Å; V500-D502 PolarHBondContact O-N 2.83Å; V500-H503 PolarHBondContact O-N 2.96Å; V500-L504 HydrophobicContact CG1-CD1 3.86Å; V500-L504 HydrophobicContact CG1-CG 4.29Å; V500-L504 WeakPolarHBondContact O-CB 3.2Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.13Å; V500-L504 PolarHBondContact O-N 3.01Å; V500-L520 HydrophobicContact CG1-CD1 3.87Å; V500-I525 HydrophobicContact CG2-CD1 3.85Å; V500-M529 HydrophobicContact CG2-CE 3.6Å; V500-V580 HydrophobicContact CB-CG1 4.23Å; V500-V580 HydrophobicContact CG1-CG1 4.14Å; V500-V580 HydrophobicContact CG2-CG1 3.9Å; V500-I581 HydrophobicContact CG2-CG2 4.47Å
501	K	86.3	Confident	86.1	Confident	104 Å²	104	75.7 Å²	75.7	45%	0.452	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-45.7	177.8	-75	173.4	-176.9	165.4	0	111.8	E497 Q498 H503 L504 S505	E497-K501 HydrophobicContact CG-CD 4.44Å; E497-K501 WeakPolarHBondContact O-CG 3.13Å; E497-K501 PolarHBondContact O-N 3.2Å; E497-K501 WeakPolarHBondContact OE1-CE 3.47Å; E497-K501 IonicContact OE1-NZ 2.72Å; E497-K501 PolarHBondContact OE1-NZ 3.19Å; E497-K501 IonicContact OE2-NZ 2.75Å; Q498-K501 PolarHBondContact O-N 2.81Å; K501-H503 VanDerWaalsContact C-N 3.34Å; K501-H503 PolarHBondContact O-N 3.22Å; K501-L504 PolarHBondContact O-N 3.34Å; K501-S505 PolarHBondContact O-N 2.82Å
502	D	84.3	Confident	85.7	Confident	44 Å²	44	77.5 Å²	77.5	24%	0.235	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-44.1	177.8	-78	-3.1	0	0	0	110.8	R328 Q498 A499 V500 L504 S505	R328-D502 IonicContact NH1-OD1 3.81Å; R328-D502 PolarHBondContact NH1-OD1 3.08Å; R328-D502 IonicContact NH1-OD2 3.63Å; R328-D502 PolarHBondContact NH1-OD2 3Å; Q498-D502 PolarHBondContact NE2-OD1 2.97Å; Q498-D502 VanDerWaalsContact O-CB 3.31Å; Q498-D502 WeakPolarHBondContact O-CB 3.42Å; Q498-D502 VanDerWaalsContact O-CG 3.27Å; Q498-D502 PolarHBondContact O-N 3.17Å; A499-D502 PolarHBondContact O-N 3.46Å; V500-D502 VanDerWaalsContact C-N 3.35Å; V500-D502 PolarHBondContact O-N 2.83Å; D502-L504 PolarHBondContact O-N 3.4Å; D502-S505 WeakPolarHBondContact O-CB 3.44Å; D502-S505 PolarHBondContact O-N 3.03Å; D502-S505 PolarHBondContact O-OG 3.41Å
503	H	84	Confident	85.3	Confident	43 Å²	43	78.5 Å²	78.5	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-39.8	177.6	-170	87.3	0	0	0	112.8	A499 V500 K501 S505 K506 D578 N579 V580	A499-H503 WeakPolarHBondContact O-CB 3.13Å; A499-H503 PolarHBondContact O-N 2.75Å; V500-H503 PolarHBondContact O-N 2.96Å; K501-H503 VanDerWaalsContact C-N 3.34Å; K501-H503 PolarHBondContact O-N 3.22Å; H503-S505 VanDerWaalsContact C-N 3.3Å; H503-S505 PolarHBondContact O-N 3.48Å; H503-K506 PolarHBondContact CE1-NZ 3Å; H503-K506 PolarHBondContact NE2-NZ 3.49Å; H503-K506 WeakPolarHBondContact O-CD 3.49Å; H503-K506 WeakPolarHBondContact O-CE 3.41Å; H503-K506 WeakPolarHBondContact O-CG 3.41Å; H503-D578 IonicContact CD2-OD2 3.23Å; H503-D578 IonicContact CE1-OD1 2.72Å; H503-D578 PolarHBondContact CE1-OD1 3.07Å; H503-D578 IonicContact CE1-OD2 2.89Å; H503-D578 IonicContact NE2-OD1 2.69Å; H503-D578 PolarHBondContact NE2-OD1 3.04Å; H503-D578 IonicContact NE2-OD2 2.8Å; H503-D578 PolarHBondContact NE2-OD2 2.87Å; H503-N579 PolarHBondContact CE1-O 3.1Å; H503-N579 PolarHBondContact NE2-O 2.96Å; H503-V580 HydrophobicContact CB-CG1 4.04Å
504	L	83.8	Confident	85	Confident	7 Å²	7	83.1 Å²	83.1	4%	0.037	40%	0.401	C	S	.	.	H	α-helix	trans	-75.8	-15.5	178.9	-65.3	-179.1	0	0	0	113.4	V500 K501 D502 K506 Y507 I513 K516 V517 L520	V500-L504 HydrophobicContact CG1-CD1 3.86Å; V500-L504 HydrophobicContact CG1-CG 4.29Å; V500-L504 WeakPolarHBondContact O-CB 3.2Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.13Å; V500-L504 PolarHBondContact O-N 3.01Å; K501-L504 PolarHBondContact O-N 3.34Å; D502-L504 PolarHBondContact O-N 3.4Å; L504-K506 PolarHBondContact O-N 3.28Å; L504-K506 VanDerWaalsContact O-N 3.08Å; L504-Y507 HydrophobicContact CB-CD2 4.47Å; L504-Y507 HydrophobicContact CD2-CD2 4.05Å; L504-Y507 HydrophobicContact CD2-CE2 3.84Å; L504-Y507 WeakPolarHBondContact O-CD2 3.26Å; L504-Y507 PolarHBondContact O-N 2.84Å; L504-I513 HydrophobicContact CD1-CG2 4.47Å; L504-K516 HydrophobicContact CD2-CB 3.86Å; L504-K516 HydrophobicContact CD2-CG 4.49Å; L504-V517 HydrophobicContact CD1-CG2 3.69Å; L504-L520 HydrophobicContact CD1-CD1 4.39Å
505	S	81.3	Confident	84.7	Confident	87 Å²	87	83.8 Å²	83.8	61%	0.608	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	180	73.8	0	0	0	0	113.9	K501 D502 H503 Y507	K501-S505 PolarHBondContact O-N 2.82Å; D502-S505 WeakPolarHBondContact O-CB 3.44Å; D502-S505 PolarHBondContact O-N 3.03Å; D502-S505 PolarHBondContact O-OG 3.41Å; H503-S505 VanDerWaalsContact C-N 3.3Å; H503-S505 PolarHBondContact O-N 3.48Å; S505-Y507 PolarHBondContact O-N 3.02Å
506	K	79.9	Confident	84.5	Confident	103 Å²	103	79.4 Å²	79.4	45%	0.448	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.4	173.9	69.5	-165.7	171.3	-165.4	0	113.7	H503 L504 D578	H503-K506 PolarHBondContact CE1-NZ 3Å; H503-K506 PolarHBondContact NE2-NZ 3.49Å; H503-K506 WeakPolarHBondContact O-CD 3.49Å; H503-K506 WeakPolarHBondContact O-CE 3.41Å; H503-K506 WeakPolarHBondContact O-CG 3.41Å; L504-K506 PolarHBondContact O-N 3.28Å; L504-K506 VanDerWaalsContact O-N 3.08Å; K506-D578 WeakPolarHBondContact CE-OD2 3.29Å; K506-D578 IonicContact NZ-OD1 3.37Å; K506-D578 PolarHBondContact NZ-OD1 3.44Å; K506-D578 IonicContact NZ-OD2 2.73Å; K506-D578 PolarHBondContact NZ-OD2 3.44Å
507	Y	79.1	Confident	84.2	Confident	57 Å²	57	81.5 Å²	81.5	22%	0.224	40%	0.396	C	S	.	.			trans	-87.5	118.7	174.4	-56.9	-69	0	0	0	109.8	L504 S505 V512 I513 K516 D578	L504-Y507 HydrophobicContact CB-CD2 4.47Å; L504-Y507 HydrophobicContact CD2-CD2 4.05Å; L504-Y507 HydrophobicContact CD2-CE2 3.84Å; L504-Y507 WeakPolarHBondContact O-CD2 3.26Å; L504-Y507 PolarHBondContact O-N 2.84Å; S505-Y507 PolarHBondContact O-N 3.02Å; Y507-V512 HydrophobicContact CD1-CG1 3.93Å; Y507-V512 HydrophobicContact CG-CG1 4.15Å; Y507-I513 WeakPolarHBondContact O-CD1 3.4Å; Y507-K516 HydrophobicContact CD2-CG 4.47Å; Y507-K516 HydrophobicContact CE2-CG 4.14Å; Y507-D578 PolarHBondContact OH-OD2 3.35Å
508	K	75.9	Confident	84	Confident	172 Å²	172	80 Å²	80	75%	0.748	39%	0.391	S	S	*	.			trans	-81.8	-17.6	-178.3	-62.7	-171.6	177.4	-171.9	0	114.1
509	V	85.4	Confident	84.1	Confident	86 Å²	86	77.9 Å²	77.9	52%	0.521	38%	0.382	S	S	.	.			trans	-99.6	116.2	-172.1	-179.2	0	0	0	0	110.6	K511 V512 I513	V509-K511 VanDerWaalsContact C-N 3.26Å; V509-K511 HydrophobicContact CG1-CB 4.28Å; V509-K511 PolarHBondContact O-N 3.33Å; V509-K511 VanDerWaalsContact O-N 3.15Å; V509-V512 HydrophobicContact CB-CB 4.18Å; V509-V512 HydrophobicContact CB-CG2 3.82Å; V509-V512 HydrophobicContact CG1-CG2 3.98Å; V509-V512 WeakPolarHBondContact O-CA 2.97Å; V509-V512 WeakPolarHBondContact O-CB 3.31Å; V509-V512 PolarHBondContact O-N 2.77Å; V509-I513 PolarHBondContact O-N 3.31Å; V509-I513 VanDerWaalsContact O-N 3.09Å
510	K	81.1	Confident	84.2	Confident	184 Å²	184	77.4 Å²	77.4	80%	0.8	38%	0.377	S	S	*	.	H	α-helix	trans	-50.3	-42.3	-179.3	-71.7	-174.8	178.4	-179.4	0	113.8	V512 I513 L514	K510-V512 VanDerWaalsContact C-N 3.29Å; K510-V512 PolarHBondContact O-N 3.34Å; K510-I513 PolarHBondContact O-N 2.78Å; K510-L514 PolarHBondContact O-N 3.32Å
511	K	82.1	Confident	84.3	Confident	178 Å²	178	81.5 Å²	81.5	77%	0.774	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-34.5	178.3	-169.8	175.5	-178.3	178.6	0	112.6	V509 K515	V509-K511 VanDerWaalsContact C-N 3.26Å; V509-K511 HydrophobicContact CG1-CB 4.28Å; V509-K511 PolarHBondContact O-N 3.33Å; V509-K511 VanDerWaalsContact O-N 3.15Å; K511-K515 PolarHBondContact O-N 2.77Å; K511-K515 VanDerWaalsContact O-N 3.17Å
512	V	81.9	Confident	84.5	Confident	58 Å²	58	83.4 Å²	83.4	35%	0.352	41%	0.409	S	S	.	.	H	α-helix	trans	-70.8	-45.9	176	176.9	0	0	0	0	109.9	Y507 V509 K510 L514 K515 K516	Y507-V512 HydrophobicContact CD1-CG1 3.93Å; Y507-V512 HydrophobicContact CG-CG1 4.15Å; V509-V512 HydrophobicContact CB-CB 4.18Å; V509-V512 HydrophobicContact CB-CG2 3.82Å; V509-V512 HydrophobicContact CG1-CG2 3.98Å; V509-V512 WeakPolarHBondContact O-CA 2.97Å; V509-V512 WeakPolarHBondContact O-CB 3.31Å; V509-V512 PolarHBondContact O-N 2.77Å; K510-V512 VanDerWaalsContact C-N 3.29Å; K510-V512 PolarHBondContact O-N 3.34Å; V512-L514 VanDerWaalsContact C-N 3.33Å; V512-L514 PolarHBondContact O-N 2.86Å; V512-K515 WeakPolarHBondContact O-CB 3.4Å; V512-K515 PolarHBondContact O-N 3Å; V512-K516 HydrophobicContact CG1-CG 4.49Å; V512-K516 WeakPolarHBondContact O-CG 3.47Å; V512-K516 PolarHBondContact O-N 3.36Å
513	I	83.1	Confident	84.8	Confident	52 Å²	52	85 Å²	85	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-55.6	-49.5	175.8	-59.7	170.5	0	0	0	110.3	L504 Y507 V509 K510 K515 K516 V517	L504-I513 HydrophobicContact CD1-CG2 4.47Å; Y507-I513 WeakPolarHBondContact O-CD1 3.4Å; V509-I513 PolarHBondContact O-N 3.31Å; V509-I513 VanDerWaalsContact O-N 3.09Å; K510-I513 PolarHBondContact O-N 2.78Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 2.65Å; I513-K516 WeakPolarHBondContact O-CB 3.37Å; I513-K516 PolarHBondContact O-N 3.38Å; I513-K516 VanDerWaalsContact O-N 3.07Å; I513-V517 HydrophobicContact CG2-CG2 4.32Å; I513-V517 WeakPolarHBondContact O-CG2 3.09Å; I513-V517 PolarHBondContact O-N 2.78Å
514	L	84.9	Confident	85.2	Confident	106 Å²	106	84 Å²	84	56%	0.555	42%	0.416	S	S	*	.	H	α-helix	trans	-60.9	-40.2	-179.2	-174.1	63.3	0	0	0	112.2	K510 V512 K516 V517 N518	K510-L514 PolarHBondContact O-N 3.32Å; V512-L514 VanDerWaalsContact C-N 3.33Å; V512-L514 PolarHBondContact O-N 2.86Å; L514-K516 VanDerWaalsContact C-N 3.35Å; L514-K516 PolarHBondContact O-N 3.39Å; L514-V517 PolarHBondContact O-N 2.77Å; L514-N518 PolarHBondContact O-N 3.4Å
515	K	86.8	Confident	85.7	Confident	133 Å²	133	84 Å²	84	58%	0.578	42%	0.416	S	S	*	.	H	α-helix	trans	-60.6	-44.9	174.1	-173.7	-176.8	176	-175.4	0	111.2	K511 V512 I513 N518 E519	K511-K515 PolarHBondContact O-N 2.77Å; K511-K515 VanDerWaalsContact O-N 3.17Å; V512-K515 WeakPolarHBondContact O-CB 3.4Å; V512-K515 PolarHBondContact O-N 3Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 2.65Å; K515-N518 PolarHBondContact O-N 3.4Å; K515-E519 VanDerWaalsContact CE-OE1 3.26Å; K515-E519 WeakPolarHBondContact CE-OE1 3.41Å; K515-E519 WeakPolarHBondContact O-CG 3.37Å; K515-E519 PolarHBondContact O-N 3.05Å
516	K	86.3	Confident	86.3	Confident	20 Å²	20	83.7 Å²	83.7	9%	0.087	41%	0.408	C	S	.	.	H	α-helix	trans	-64.4	-41.8	178.3	-67.1	-45.5	-174.8	-179.3	0	112.8	L504 Y507 V512 I513 L514 N518 E519 L520 C571 G572	L504-K516 HydrophobicContact CD2-CB 3.86Å; L504-K516 HydrophobicContact CD2-CG 4.49Å; Y507-K516 HydrophobicContact CD2-CG 4.47Å; Y507-K516 HydrophobicContact CE2-CG 4.14Å; V512-K516 HydrophobicContact CG1-CG 4.49Å; V512-K516 WeakPolarHBondContact O-CG 3.47Å; V512-K516 PolarHBondContact O-N 3.36Å; I513-K516 WeakPolarHBondContact O-CB 3.37Å; I513-K516 PolarHBondContact O-N 3.38Å; I513-K516 VanDerWaalsContact O-N 3.07Å; L514-K516 VanDerWaalsContact C-N 3.35Å; L514-K516 PolarHBondContact O-N 3.39Å; K516-N518 VanDerWaalsContact C-N 3.32Å; K516-N518 PolarHBondContact O-N 2.95Å; K516-E519 WeakPolarHBondContact CD-OE2 3.37Å; K516-E519 IonicContact NZ-OE1 3.97Å; K516-E519 PolarHBondContact NZ-OE1 2.9Å; K516-E519 IonicContact NZ-OE2 2.66Å; K516-E519 PolarHBondContact NZ-OE2 3.46Å; K516-E519 WeakPolarHBondContact O-CB 3.17Å; K516-E519 PolarHBondContact O-N 3.07Å; K516-L520 WeakPolarHBondContact O-CG 3.39Å; K516-L520 PolarHBondContact O-N 3.18Å; K516-C571 HydrophobicContact CD-CB 3.91Å; K516-C571 HydrophobicContact CG-CB 4.44Å; K516-G572 VanDerWaalsContact NZ-N 3.12Å; K516-G572 PolarHBondContact NZ-O 3.24Å
517	V	86.7	Confident	86.9	Confident	47 Å²	47	81.6 Å²	81.6	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-58.7	-45.7	173.4	172.3	0	0	0	0	110.9	L504 I513 L514 E519 L520 K521	L504-V517 HydrophobicContact CD1-CG2 3.69Å; I513-V517 HydrophobicContact CG2-CG2 4.32Å; I513-V517 WeakPolarHBondContact O-CG2 3.09Å; I513-V517 PolarHBondContact O-N 2.78Å; L514-V517 PolarHBondContact O-N 2.77Å; V517-E519 PolarHBondContact O-N 3.34Å; V517-L520 PolarHBondContact O-N 3.15Å; V517-K521 HydrophobicContact CG1-CD 4.41Å; V517-K521 WeakPolarHBondContact O-CG 3.47Å; V517-K521 PolarHBondContact O-N 2.81Å
518	N	87.2	Confident	87.6	Confident	81 Å²	81	79 Å²	79	43%	0.433	39%	0.391	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177	-70.4	-12.7	0	0	0	112.5	L514 K515 K516 L520 K521 N522	L514-N518 PolarHBondContact O-N 3.4Å; K515-N518 PolarHBondContact O-N 3.4Å; K516-N518 VanDerWaalsContact C-N 3.32Å; K516-N518 PolarHBondContact O-N 2.95Å; N518-L520 VanDerWaalsContact C-N 3.31Å; N518-L520 PolarHBondContact O-N 3.34Å; N518-K521 PolarHBondContact O-N 3.49Å; N518-N522 WeakPolarHBondContact O-CB 3.47Å; N518-N522 PolarHBondContact O-N 3.38Å; N518-N522 PolarHBondContact O-ND2 3.24Å; N518-N522 PolarHBondContact O-OD1 2.9Å
519	E	89.8	Confident	88.5	Confident	45 Å²	45	72 Å²	72	21%	0.21	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-40.9	173.5	-74	169.1	-161.8	0	0	111.8	K515 K516 V517 Q523	K515-E519 VanDerWaalsContact CE-OE1 3.26Å; K515-E519 WeakPolarHBondContact CE-OE1 3.41Å; K515-E519 WeakPolarHBondContact O-CG 3.37Å; K515-E519 PolarHBondContact O-N 3.05Å; K516-E519 WeakPolarHBondContact CD-OE2 3.37Å; K516-E519 IonicContact NZ-OE1 3.97Å; K516-E519 PolarHBondContact NZ-OE1 2.9Å; K516-E519 IonicContact NZ-OE2 2.66Å; K516-E519 PolarHBondContact NZ-OE2 3.46Å; K516-E519 WeakPolarHBondContact O-CB 3.17Å; K516-E519 PolarHBondContact O-N 3.07Å; V517-E519 PolarHBondContact O-N 3.34Å; E519-Q523 WeakPolarHBondContact O-CG 3.27Å; E519-Q523 PolarHBondContact O-N 2.98Å; E519-Q523 PolarHBondContact O-NE2 3.29Å
520	L	90.5	Very high	88.8	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-70.7	-41.3	177.3	-64.5	169.8	0	0	0	112	V500 L504 K516 V517 N518 N522 Q523 G524 I525 C571 V580	V500-L520 HydrophobicContact CG1-CD1 3.87Å; L504-L520 HydrophobicContact CD1-CD1 4.39Å; K516-L520 WeakPolarHBondContact O-CG 3.39Å; K516-L520 PolarHBondContact O-N 3.18Å; V517-L520 PolarHBondContact O-N 3.15Å; N518-L520 VanDerWaalsContact C-N 3.31Å; N518-L520 PolarHBondContact O-N 3.34Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 3.27Å; L520-Q523 WeakPolarHBondContact O-CB 3.44Å; L520-Q523 PolarHBondContact O-N 2.98Å; L520-G524 PolarHBondContact O-N 3.21Å; L520-I525 HydrophobicContact CB-CB 4.19Å; L520-I525 HydrophobicContact CB-CD1 4.02Å; L520-I525 HydrophobicContact CB-CG2 3.83Å; L520-I525 HydrophobicContact CD1-CD1 4.16Å; L520-I525 HydrophobicContact CD2-CD1 4.19Å; L520-I525 HydrophobicContact CG-CD1 4.35Å; L520-I525 WeakPolarHBondContact O-CB 3.41Å; L520-I525 WeakPolarHBondContact O-CG2 3.37Å; L520-I525 PolarHBondContact O-N 3.39Å; L520-C571 VanDerWaalsContact CG-SG 3.53Å; L520-V580 HydrophobicContact CD1-CG1 4.31Å; L520-V580 HydrophobicContact CD1-CG2 4.28Å; L520-V580 HydrophobicContact CD2-CB 4.25Å; L520-V580 HydrophobicContact CD2-CG2 3.85Å
521	K	90.4	Very high	89.2	Confident	102 Å²	102	67.9 Å²	67.9	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-41.4	175.6	-73.7	-170.5	171.4	-156.6	0	112.3	V517 N518 Q523 G524 I525	V517-K521 HydrophobicContact CG1-CD 4.41Å; V517-K521 WeakPolarHBondContact O-CG 3.47Å; V517-K521 PolarHBondContact O-N 2.81Å; N518-K521 PolarHBondContact O-N 3.49Å; K521-Q523 PolarHBondContact O-N 3.47Å; K521-G524 PolarHBondContact O-N 2.9Å; K521-I525 HydrophobicContact CG-CG2 4.47Å
522	N	90.7	Very high	89.7	Confident	145 Å²	145	60.4 Å²	60.4	78%	0.775	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.9	175.7	-69.1	-10.7	0	0	0	113.2	N518 L520 G524	N518-N522 WeakPolarHBondContact O-CB 3.47Å; N518-N522 PolarHBondContact O-N 3.38Å; N518-N522 PolarHBondContact O-ND2 3.24Å; N518-N522 PolarHBondContact O-OD1 2.9Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 3.27Å; N522-G524 VanDerWaalsContact C-N 3.33Å
523	Q	90.9	Very high	90.3	Very high	78 Å²	78	64 Å²	64	36%	0.364	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.8	173	-69.4	166.8	60.2	0	0	112.8	E519 L520 K521 Y569 I570	E519-Q523 WeakPolarHBondContact O-CG 3.27Å; E519-Q523 PolarHBondContact O-N 2.98Å; E519-Q523 PolarHBondContact O-NE2 3.29Å; L520-Q523 WeakPolarHBondContact O-CB 3.44Å; L520-Q523 PolarHBondContact O-N 2.98Å; K521-Q523 PolarHBondContact O-N 3.47Å; Q523-Y569 HydrophobicContact CB-CD1 3.89Å; Q523-Y569 HydrophobicContact CB-CE1 4.3Å; Q523-Y569 WeakPolarHBondContact O-CE1 3.37Å; Q523-I570 PolarHBondContact NE2-O 2.91Å
524	G	92.4	Very high	90.7	Very high	21 Å²	21	65 Å²	65	22%	0.216	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	32.3	-177.5	0	0	0	0	0	113.5	L520 K521 N522 D526 D527 Y569	L520-G524 PolarHBondContact O-N 3.21Å; K521-G524 PolarHBondContact O-N 2.9Å; N522-G524 VanDerWaalsContact C-N 3.33Å; G524-D526 PolarHBondContact O-N 2.87Å; G524-D527 WeakPolarHBondContact O-CB 3.3Å; G524-D527 PolarHBondContact O-N 3.18Å; G524-Y569 PolarHBondContact O-OH 3.15Å
525	I	93.7	Very high	91	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.036	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.2	177.9	-159.4	174	0	0	0	112.4	V500 L520 K521 D527 I528 M529 Y569 I581	V500-I525 HydrophobicContact CG2-CD1 3.85Å; L520-I525 HydrophobicContact CB-CB 4.19Å; L520-I525 HydrophobicContact CB-CD1 4.02Å; L520-I525 HydrophobicContact CB-CG2 3.83Å; L520-I525 HydrophobicContact CD1-CD1 4.16Å; L520-I525 HydrophobicContact CD2-CD1 4.19Å; L520-I525 HydrophobicContact CG-CD1 4.35Å; L520-I525 WeakPolarHBondContact O-CB 3.41Å; L520-I525 WeakPolarHBondContact O-CG2 3.37Å; L520-I525 PolarHBondContact O-N 3.39Å; K521-I525 HydrophobicContact CG-CG2 4.47Å; I525-D527 PolarHBondContact O-N 3.3Å; I525-I528 HydrophobicContact CG1-CD1 4.42Å; I525-I528 HydrophobicContact CG1-CG1 4.24Å; I525-I528 WeakPolarHBondContact O-CG1 3.42Å; I525-I528 PolarHBondContact O-N 3.04Å; I525-I528 VanDerWaalsContact O-N 3.17Å; I525-M529 HydrophobicContact CD1-CE 3.53Å; I525-M529 HydrophobicContact CG1-CE 3.48Å; I525-M529 VanDerWaalsContact CG1-CE 3.48Å; I525-M529 WeakPolarHBondContact O-CG 3.36Å; I525-M529 PolarHBondContact O-N 3.15Å; I525-Y569 HydrophobicContact CB-CD1 3.63Å; I525-Y569 HydrophobicContact CB-CE1 3.78Å; I525-Y569 HydrophobicContact CB-CG 4.16Å; I525-Y569 HydrophobicContact CD1-CD1 4.37Å; I525-Y569 HydrophobicContact CD1-CG 4.05Å; I525-Y569 HydrophobicContact CG1-CD1 3.78Å; I525-Y569 HydrophobicContact CG1-CD2 4.11Å; I525-Y569 HydrophobicContact CG1-CE1 4.07Å; I525-Y569 HydrophobicContact CG1-CE2 4.37Å; I525-Y569 HydrophobicContact CG1-CG 3.78Å; I525-Y569 VanDerWaalsContact N-CE1 3.34Å; I525-I581 HydrophobicContact CD1-CG2 3.96Å; I525-I581 HydrophobicContact CG1-CG2 4.49Å
526	D	93.8	Very high	91.2	Very high	81 Å²	81	59.5 Å²	59.5	43%	0.433	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.7	-179	-66.7	-21.4	0	0	0	111.6	G524 I528 M529	G524-D526 PolarHBondContact O-N 2.87Å; D526-I528 VanDerWaalsContact C-N 3.27Å; D526-I528 PolarHBondContact O-N 3.05Å; D526-M529 PolarHBondContact O-N 3.18Å
527	D	93.1	Very high	91.5	Very high	59 Å²	59	64 Å²	64	32%	0.316	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61	-35.3	177.2	-65.9	-5.5	0	0	0	112.5	G524 I525 G532 E533 K534 A535	G524-D527 WeakPolarHBondContact O-CB 3.3Å; G524-D527 PolarHBondContact O-N 3.18Å; I525-D527 PolarHBondContact O-N 3.3Å; D527-G532 CarbonylContact O-C 3.57Å; D527-G532 VanDerWaalsContact O-C 3.22Å; D527-G532 WeakPolarHBondContact O-CA 3.43Å; D527-E533 PolarHBondContact O-N 3.23Å; D527-K534 HydrophobicContact CB-CB 4.28Å; D527-K534 HydrophobicContact CB-CD 4.09Å; D527-K534 HydrophobicContact CB-CG 4.22Å; D527-K534 CarbonylContact O-C 3.51Å; D527-K534 VanDerWaalsContact O-CA 3.31Å; D527-K534 WeakPolarHBondContact O-CA 3.35Å; D527-K534 WeakPolarHBondContact O-CB 3.46Å; D527-K534 PolarHBondContact O-N 3.28Å; D527-A535 PolarHBondContact O-N 2.76Å
528	I	93.8	Very high	91.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-94.8	-6.6	-179.5	67.9	150.6	0	0	0	112.3	R496 I525 D526 K534 V538 Y569 I581	R496-I528 WeakPolarHBondContact CD-O 3.21Å; R496-I528 PolarHBondContact NH1-O 3.49Å; I525-I528 HydrophobicContact CG1-CD1 4.42Å; I525-I528 HydrophobicContact CG1-CG1 4.24Å; I525-I528 WeakPolarHBondContact O-CG1 3.42Å; I525-I528 PolarHBondContact O-N 3.04Å; I525-I528 VanDerWaalsContact O-N 3.17Å; D526-I528 VanDerWaalsContact C-N 3.27Å; D526-I528 PolarHBondContact O-N 3.05Å; I528-K534 HydrophobicContact CG2-CB 4.17Å; I528-V538 HydrophobicContact CB-CG2 4.27Å; I528-V538 HydrophobicContact CG2-CG2 3.66Å; I528-Y569 HydrophobicContact CD1-CD2 3.88Å; I528-Y569 HydrophobicContact CD1-CE2 3.35Å; I528-Y569 HydrophobicContact CG1-CE2 3.75Å; I528-Y569 HydrophobicContact CG2-CE2 4.27Å; I528-Y569 WeakPolarHBondContact CG2-OH 3.09Å; I528-I581 HydrophobicContact CD1-CD1 4.32Å; I528-I581 HydrophobicContact CD1-CG2 4.03Å
529	M	93.3	Very high	92.2	Very high	27 Å²	27	58.2 Å²	58.2	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-74.3	167.1	177.1	-68.5	-65.2	153.4	0	0	111	R496 E497 V500 I525 D526 G531 G532 A535	R496-M529 HydrophobicContact CB-CE 4.1Å; R496-M529 HydrophobicContact CB-SD 3.66Å; E497-M529 HydrophobicContact CB-SD 4.49Å; V500-M529 HydrophobicContact CG2-CE 3.6Å; I525-M529 HydrophobicContact CD1-CE 3.53Å; I525-M529 HydrophobicContact CG1-CE 3.48Å; I525-M529 VanDerWaalsContact CG1-CE 3.48Å; I525-M529 WeakPolarHBondContact O-CG 3.36Å; I525-M529 PolarHBondContact O-N 3.15Å; D526-M529 PolarHBondContact O-N 3.18Å; M529-G531 PolarHBondContact O-N 3.22Å; M529-G532 WeakPolarHBondContact O-CA 3.49Å; M529-G532 PolarHBondContact O-N 3.08Å; M529-A535 WeakPolarHBondContact O-CB 3.16Å
530	M	92.4	Very high	92.4	Very high	100 Å²	100	56 Å²	56	49%	0.493	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	130.1	172.8	-80.2	-54.8	-73.8	0	0	111.8	P493 E494 G532	P493-M530 VanDerWaalsContact C-CG 3.43Å; P493-M530 HydrophobicContact CB-CG 4.29Å; P493-M530 HydrophobicContact CB-SD 3.13Å; P493-M530 WeakPolarHBondContact CB-SD 3Å; P493-M530 VanDerWaalsContact O-CG 3.31Å; P493-M530 WeakPolarHBondContact O-CG 3.02Å; E494-M530 VanDerWaalsContact CA-CG 3.48Å; E494-M530 HydrophobicContact CB-CG 4.42Å; E494-M530 HydrophobicContact CB-SD 4.23Å; E494-M530 HydrophobicContact CG-CE 3.75Å; E494-M530 HydrophobicContact CG-CG 4.38Å; E494-M530 HydrophobicContact CG-SD 3.71Å; E494-M530 PolarHBondContact N-SD 2.8Å; M530-G532 PolarHBondContact O-N 3.27Å
531	G	90	Very high	92.5	Very high	83 Å²	83	56 Å²	56	86%	0.856	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-2.6	-178.2	0	0	0	0	0	114.8	M529	M529-G531 PolarHBondContact O-N 3.22Å
532	G	92.9	Very high	92.3	Very high	21 Å²	21	54.6 Å²	54.6	22%	0.216	30%	0.301	C	S	.	.	S	Bend	trans	-73.3	157.4	170.5	0	0	0	0	0	112.3	D527 M529 M530 K534 A535	D527-G532 CarbonylContact O-C 3.57Å; D527-G532 VanDerWaalsContact O-C 3.22Å; D527-G532 WeakPolarHBondContact O-CA 3.43Å; M529-G532 WeakPolarHBondContact O-CA 3.49Å; M529-G532 PolarHBondContact O-N 3.08Å; M530-G532 PolarHBondContact O-N 3.27Å; G532-K534 PolarHBondContact O-N 2.62Å; G532-A535 VanDerWaalsContact O-CB 3.26Å; G532-A535 WeakPolarHBondContact O-CB 3.25Å; G532-A535 PolarHBondContact O-N 2.9Å; G532-A535 VanDerWaalsContact O-N 3.14Å
533	E	93.2	Very high	92	Very high	134 Å²	134	48.6 Å²	48.6	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.9	-173.8	-158.9	-150.2	136.6	0	0	113.6	D527 K537	D527-E533 PolarHBondContact O-N 3.23Å; E533-K537 WeakPolarHBondContact O-CD 3.47Å; E533-K537 WeakPolarHBondContact O-CE 3.29Å; E533-K537 PolarHBondContact O-NZ 3.05Å; E533-K537 IonicContact OE1-NZ 2.72Å; E533-K537 PolarHBondContact OE1-NZ 3.19Å
534	K	92.1	Very high	91.5	Very high	72 Å²	72	49.6 Å²	49.6	31%	0.313	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	1.9	-178.6	-61.8	-179.7	-177.9	172.2	0	112.9	D527 I528 G532 E536 K537 V538	D527-K534 HydrophobicContact CB-CB 4.28Å; D527-K534 HydrophobicContact CB-CD 4.09Å; D527-K534 HydrophobicContact CB-CG 4.22Å; D527-K534 CarbonylContact O-C 3.51Å; D527-K534 VanDerWaalsContact O-CA 3.31Å; D527-K534 WeakPolarHBondContact O-CA 3.35Å; D527-K534 WeakPolarHBondContact O-CB 3.46Å; D527-K534 PolarHBondContact O-N 3.28Å; I528-K534 HydrophobicContact CG2-CB 4.17Å; G532-K534 PolarHBondContact O-N 2.62Å; K534-E536 VanDerWaalsContact C-N 3.34Å; K534-E536 PolarHBondContact O-N 2.91Å; K534-K537 PolarHBondContact O-N 3.33Å; K534-V538 HydrophobicContact CB-CG1 4.35Å; K534-V538 PolarHBondContact O-N 3.42Å
535	A	91.3	Very high	90.8	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-52.2	-174	0	0	0	0	0	112.7	P493 R496 D527 M529 G532	P493-A535 WeakPolarHBondContact CG-O 3.43Å; R496-A535 PolarHBondContact NH1-O 2.83Å; R496-A535 PolarHBondContact NH2-O 3.45Å; D527-A535 PolarHBondContact O-N 2.76Å; M529-A535 WeakPolarHBondContact O-CB 3.16Å; G532-A535 VanDerWaalsContact O-CB 3.26Å; G532-A535 WeakPolarHBondContact O-CB 3.25Å; G532-A535 PolarHBondContact O-N 2.9Å; G532-A535 VanDerWaalsContact O-N 3.14Å
536	E	90.9	Very high	89.7	Confident	119 Å²	119	53.1 Å²	53.1	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.4	-179.8	-59.9	-58.1	147.3	0	0	113.5	K534	K534-E536 VanDerWaalsContact C-N 3.34Å; K534-E536 PolarHBondContact O-N 2.91Å
537	K	92.3	Very high	89	Confident	113 Å²	113	54.4 Å²	54.4	49%	0.491	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-10.6	-174.6	-57.4	-177.9	-173.5	170.6	0	113	E533 K534 P586	E533-K537 WeakPolarHBondContact O-CD 3.47Å; E533-K537 WeakPolarHBondContact O-CE 3.29Å; E533-K537 PolarHBondContact O-NZ 3.05Å; E533-K537 IonicContact OE1-NZ 2.72Å; E533-K537 PolarHBondContact OE1-NZ 3.19Å; K534-K537 PolarHBondContact O-N 3.33Å; K537-P586 WeakPolarHBondContact O-CD 3.42Å; K537-P586 WeakPolarHBondContact O-CG 3.26Å
538	V	94.4	Very high	88.5	Confident	5 Å²	5	52 Å²	52	3%	0.03	27%	0.272	C	S	.	.	S	Bend	trans	-132.4	147.9	178.9	-55.1	0	0	0	0	111.8	R496 I528 K534 A584	R496-V538 PolarHBondContact NH2-O 2.83Å; I528-V538 HydrophobicContact CB-CG2 4.27Å; I528-V538 HydrophobicContact CG2-CG2 3.66Å; K534-V538 HydrophobicContact CB-CG1 4.35Å; K534-V538 PolarHBondContact O-N 3.42Å; V538-A584 WeakPolarHBondContact CB-O 3.45Å
539	A	94.8	Very high	88.3	Confident	2 Å²	2	52 Å²	52	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.9	165.1	0	0	0	0	0	109.1	L466 Y541 F562 Y583 A584	L466-A539 HydrophobicContact CD1-CB 3.65Å; A539-Y541 HydrophobicContact CB-CD1 4.48Å; A539-Y541 HydrophobicContact CB-CE1 4.3Å; A539-F562 HydrophobicContact CB-CD2 4.48Å; A539-F562 HydrophobicContact CB-CE2 3.61Å; A539-F562 HydrophobicContact CB-CZ 4.45Å; A539-Y583 CarbonylContact O-C 3.53Å; A539-Y583 WeakPolarHBondContact O-CA 3.49Å; A539-Y583 VanDerWaalsContact O-CB 3.27Å; A539-Y583 WeakPolarHBondContact O-CB 3.48Å; A539-A584 HydrophobicContact CB-CB 4.4Å; A539-A584 PolarHBondContact N-O 3.44Å; A539-A584 VanDerWaalsContact N-O 3.1Å; A539-A584 PolarHBondContact O-N 3.33Å
540	S	94.6	Very high	88.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	170.1	66.3	0	0	0	0	111.4	I490 I491 R496 E582	I490-S540 CarbonylContact C-O 3.59Å; I490-S540 WeakPolarHBondContact CA-O 3.4Å; I491-S540 PolarHBondContact N-O 3.27Å; I491-S540 PolarHBondContact O-OG 3.13Å; R496-S540 PolarHBondContact NE-OG 3.46Å; R496-S540 PolarHBondContact NH2-OG 3.46Å; S540-E582 CarbonylContact C-O 3.41Å; S540-E582 WeakPolarHBondContact CA-O 3.31Å; S540-E582 WeakPolarHBondContact CB-O 3.44Å
541	Y	91.8	Very high	88.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	170.9	-177.9	41.3	-100.6	0	0	0	110.7	L474 T488 C489 A539 T543 V554 H565 E582 A584	L474-Y541 HydrophobicContact CD1-CD2 4.11Å; L474-Y541 HydrophobicContact CD1-CE2 3.84Å; L474-Y541 HydrophobicContact CD2-CE2 3.7Å; L474-Y541 HydrophobicContact CG-CE2 4.33Å; T488-Y541 HydrophobicContact CG2-CD2 4.15Å; T488-Y541 HydrophobicContact CG2-CG 3.93Å; C489-Y541 WeakPolarHBondContact O-CB 3.48Å; A539-Y541 HydrophobicContact CB-CD1 4.48Å; A539-Y541 HydrophobicContact CB-CE1 4.3Å; Y541-T543 HydrophobicContact CD2-CG2 3.92Å; Y541-T543 HydrophobicContact CE2-CG2 3.83Å; Y541-V554 HydrophobicContact CE1-CG1 4.26Å; Y541-V554 HydrophobicContact CE1-CG2 4.46Å; Y541-H565 AromaticContact CE2-ND1 3.77Å; Y541-H565 AromaticContact CZ-ND1 3.78Å; Y541-H565 WeakPolarHBondContact OH-CB 3.35Å; Y541-H565 PolarHBondContact OH-ND1 3.45Å; Y541-E582 HydrophobicContact CD2-CB 4.35Å; Y541-E582 HydrophobicContact CE2-CB 4.15Å; Y541-E582 PolarHBondContact N-O 3.02Å; Y541-E582 PolarHBondContact O-N 2.86Å; Y541-A584 HydrophobicContact CE1-CB 4.02Å; Y541-A584 WeakPolarHBondContact OH-CB 3.44Å
542	N	86.7	Confident	89	Confident	74 Å²	74	42.8 Å²	42.8	40%	0.396	21%	0.207	S	C	.	.			trans	-99.1	131.5	167.8	-66.3	-25.7	0	0	0	108.4	T488 I491 V580	T488-N542 WeakPolarHBondContact CB-O 3.41Å; T488-N542 PolarHBondContact OG1-O 3.15Å; I491-N542 WeakPolarHBondContact CD1-OD1 3.49Å; N542-V580 PolarHBondContact OD1-O 2.87Å
543	T	84.2	Confident	89.3	Confident	19 Å²	19	41.8 Å²	41.8	12%	0.117	20%	0.197	C	C	.	.			trans	-141.3	150	-178.8	172	0	0	0	0	109.2	D486 Y541 M545 E582	D486-T543 WeakPolarHBondContact OD2-CA 2.93Å; D486-T543 VanDerWaalsContact OD2-CB 3.28Å; D486-T543 WeakPolarHBondContact OD2-CB 3.34Å; D486-T543 PolarHBondContact OD2-OG1 3.02Å; Y541-T543 HydrophobicContact CD2-CG2 3.92Å; Y541-T543 HydrophobicContact CE2-CG2 3.83Å; T543-M545 HydrophobicContact CG2-CB 4.28Å; T543-M545 WeakPolarHBondContact OG1-CB 3.39Å; T543-M545 WeakPolarHBondContact OG1-CG 2.96Å; T543-M545 PolarHBondContact OG1-N 3.26Å; T543-E582 HydrophobicContact CG2-CB 3.84Å; T543-E582 HydrophobicContact CG2-CG 3.79Å; T543-E582 WeakPolarHBondContact CG2-OE1 3.39Å; T543-E582 WeakPolarHBondContact CG2-OE2 3.4Å
544	F	79.3	Confident	89.5	Confident	98 Å²	98	35.4 Å²	35.4	43%	0.43	17%	0.167	S	C	.	.	S	Bend	trans	-83.7	-2.4	169.2	68.7	-104.7	0	0	0	111.7	K484 D486 Y546	K484-F544 HydrophobicContact CB-CE2 4.08Å; K484-F544 HydrophobicContact CB-CZ 4.34Å; K484-F544 HydrophobicContact CD-CE2 3.77Å; D486-F544 HydrophobicContact CB-CD1 4.01Å; D486-F544 HydrophobicContact CB-CE1 3.46Å; D486-F544 VanDerWaalsContact CB-CE1 3.46Å; D486-F544 HydrophobicContact CB-CE2 4.38Å; D486-F544 HydrophobicContact CB-CZ 3.66Å; D486-F544 VanDerWaalsContact OD1-CD1 3.27Å; D486-F544 WeakPolarHBondContact OD1-CD1 3.41Å; D486-F544 WeakPolarHBondContact OD1-CE1 3.4Å; D486-F544 VanDerWaalsContact OD2-CD1 3.27Å; D486-F544 WeakPolarHBondContact OD2-CD1 3.39Å; D486-F544 PolarHBondContact OD2-N 3.17Å; F544-Y546 WeakPolarHBondContact O-CD1 3.23Å; F544-Y546 PolarHBondContact O-N 3.22Å
545	M	77.6	Confident	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.			trans	-75.9	83.6	-179.1	-61.3	-75	-167.8	0	0	110.9	L474 P478 K484 D486 T543 A549	L474-M545 HydrophobicContact CB-CE 4.5Å; L474-M545 HydrophobicContact CB-CG 4.32Å; L474-M545 HydrophobicContact CD2-CG 4.46Å; P478-M545 HydrophobicContact CB-SD 4.01Å; P478-M545 HydrophobicContact CG-SD 3.54Å; P478-M545 VanDerWaalsContact CG-SD 3.54Å; K484-M545 VanDerWaalsContact C-CE 3.44Å; K484-M545 HydrophobicContact CB-CE 3.57Å; K484-M545 HydrophobicContact CB-SD 4.11Å; K484-M545 WeakPolarHBondContact O-CE 3.47Å; D486-M545 HydrophobicContact CB-CE 3.61Å; D486-M545 HydrophobicContact CB-CG 3.84Å; T543-M545 HydrophobicContact CG2-CB 4.28Å; T543-M545 WeakPolarHBondContact OG1-CB 3.39Å; T543-M545 WeakPolarHBondContact OG1-CG 2.96Å; T543-M545 PolarHBondContact OG1-N 3.26Å; M545-A549 HydrophobicContact CB-CB 3.6Å
546	Y	71.4	Confident	89.5	Confident	103 Å²	103	32.2 Å²	32.2	40%	0.404	15%	0.153	S	C	.	.			trans	-77.1	-163.8	177	53.9	-94	0	0	0	112.6	P478 A479 F544 G548 A549	P478-Y546 HydrophobicContact CB-CE1 4.43Å; A479-Y546 HydrophobicContact CB-CD2 4.34Å; A479-Y546 HydrophobicContact CB-CE2 3.33Å; F544-Y546 WeakPolarHBondContact O-CD1 3.23Å; F544-Y546 PolarHBondContact O-N 3.22Å; Y546-G548 PolarHBondContact O-N 3.4Å; Y546-A549 VanDerWaalsContact O-CB 3.3Å; Y546-A549 WeakPolarHBondContact O-CB 3.22Å; Y546-A549 PolarHBondContact O-N 3.26Å; Y546-A549 VanDerWaalsContact O-N 3.13Å
547	H	79.3	Confident	89	Confident	107 Å²	107	28 Å²	28	50%	0.495	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.6	133.2	179.9	-69.4	-53.1	0	0	0	114	A479 K577	A479-H547 WeakPolarHBondContact CA-O 3.38Å; A479-H547 PolarHBondContact N-O 3.38Å; H547-K577 WeakPolarHBondContact NE2-CD 3.19Å; H547-K577 PolarHBondContact NE2-NZ 3.22Å
548	G	81.8	Confident	88.6	Confident	10 Å²	10	29.2 Å²	29.2	10%	0.103	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	-16.1	-175.5	0	0	0	0	0	113.8	G367 T368 H477 Y546 S550	G367-G548 CarbonylContact C-O 3.55Å; G367-G548 VanDerWaalsContact CA-O 3.27Å; G367-G548 WeakPolarHBondContact CA-O 3.37Å; T368-G548 PolarHBondContact N-O 3.06Å; T368-G548 PolarHBondContact OG1-O 2.9Å; H477-G548 CarbonylContact O-C 3.47Å; H477-G548 VanDerWaalsContact O-C 3.23Å; Y546-G548 PolarHBondContact O-N 3.4Å; G548-S550 VanDerWaalsContact C-N 3.33Å
549	A	91	Very high	88	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.			trans	-79.3	-12.3	172.6	0	0	0	0	0	114.1	P478 M545 Y546 G551 S552 H565	P478-A549 HydrophobicContact CB-CB 4.5Å; M545-A549 HydrophobicContact CB-CB 3.6Å; Y546-A549 VanDerWaalsContact O-CB 3.3Å; Y546-A549 WeakPolarHBondContact O-CB 3.22Å; Y546-A549 PolarHBondContact O-N 3.26Å; Y546-A549 VanDerWaalsContact O-N 3.13Å; A549-G551 PolarHBondContact O-N 3.33Å; A549-S552 VanDerWaalsContact O-CB 3.28Å; A549-S552 WeakPolarHBondContact O-CB 3.31Å; A549-S552 PolarHBondContact O-N 3.07Å; A549-S552 PolarHBondContact O-OG 2.9Å; A549-H565 PolarHBondContact O-CD2 3.07Å
550	S	94.8	Very high	88	Confident	17 Å²	17	33.2 Å²	33.2	12%	0.119	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	123.9	175.3	-56.9	0	0	0	0	110.7	T368 N380 H382 G548 T566	T368-S550 WeakPolarHBondContact CA-O 3.19Å; T368-S550 PolarHBondContact N-O 3.39Å; N380-S550 WeakPolarHBondContact OD1-CA 3.44Å; N380-S550 WeakPolarHBondContact OD1-CB 3.46Å; H382-S550 VanDerWaalsContact CE1-CB 3.47Å; H382-S550 WeakPolarHBondContact CE1-CB 3.34Å; H382-S550 PolarHBondContact CE1-OG 3.34Å; H382-S550 WeakPolarHBondContact NE2-CB 3.46Å; H382-S550 PolarHBondContact NE2-OG 3.33Å; H382-S550 VanDerWaalsContact NE2-OG 3.16Å; G548-S550 VanDerWaalsContact C-N 3.33Å; S550-T566 PolarHBondContact OG-O 2.85Å
551	G	97.3	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	4.9	-179.5	0	0	0	0	0	113.7	T368 N380 A549 H565	T368-G551 CarbonylContact O-C 3.53Å; T368-G551 WeakPolarHBondContact O-CA 3.4Å; N380-G551 WeakPolarHBondContact OD1-CA 3.32Å; N380-G551 PolarHBondContact OD1-N 3.27Å; A549-G551 PolarHBondContact O-N 3.33Å; G551-H565 PolarHBondContact N-O 2.96Å
552	S	98	Very high	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.			trans	-66.6	134.2	174.4	-60.1	0	0	0	0	111.5	T368 I475 G476 A549 H565	T368-S552 WeakPolarHBondContact CG2-OG 3.45Å; I475-S552 WeakPolarHBondContact O-CB 3.47Å; G476-S552 WeakPolarHBondContact CA-OG 3.2Å; A549-S552 VanDerWaalsContact O-CB 3.28Å; A549-S552 WeakPolarHBondContact O-CB 3.31Å; A549-S552 PolarHBondContact O-N 3.07Å; A549-S552 PolarHBondContact O-OG 2.9Å; S552-H565 PolarHBondContact O-N 3Å
553	P	98	Very high	88.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.3	168.5	26.4	-31.5	0	0	0	111.2	V356 F370 I475 F555 I561	V356-P553 HydrophobicContact CG2-CG 3.58Å; F370-P553 HydrophobicContact CB-CG 4.23Å; F370-P553 HydrophobicContact CD1-CB 3.83Å; F370-P553 HydrophobicContact CD1-CG 3.91Å; F370-P553 HydrophobicContact CE1-CB 3.9Å; F370-P553 HydrophobicContact CE1-CG 4.47Å; F370-P553 HydrophobicContact CG-CB 4.23Å; F370-P553 HydrophobicContact CG-CG 4.13Å; F370-P553 HydrophobicContact CZ-CB 4.37Å; I475-P553 PolarHBondContact N-O 2.83Å; I475-P553 WeakPolarHBondContact O-CD 3.15Å; P553-F555 HydrophobicContact CB-CE2 3.95Å; P553-F555 HydrophobicContact CB-CZ 4.16Å; P553-F555 HydrophobicContact CG-CE2 3.79Å; P553-F555 HydrophobicContact CG-CZ 4.04Å; P553-I561 HydrophobicContact CB-CD1 4.1Å; P553-I561 HydrophobicContact CB-CG2 3.59Å
554	V	97.1	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.7	175.4	-164.2	0	0	0	0	109.6	A472 C473 L474 Y541 I561 F562 G563 H565 A584	A472-V554 HydrophobicContact CB-CG1 4.03Å; C473-V554 CarbonylContact O-C 3.56Å; C473-V554 WeakPolarHBondContact O-CA 3.49Å; L474-V554 HydrophobicContact CD1-CG1 4.35Å; L474-V554 HydrophobicContact CG-CG1 4.34Å; L474-V554 HydrophobicContact CG-CG2 4.21Å; Y541-V554 HydrophobicContact CE1-CG1 4.26Å; Y541-V554 HydrophobicContact CE1-CG2 4.46Å; V554-I561 WeakPolarHBondContact O-CA 3.42Å; V554-I561 VanDerWaalsContact O-CG2 3.28Å; V554-I561 WeakPolarHBondContact O-CG2 3.44Å; V554-F562 HydrophobicContact CB-CE1 4.26Å; V554-F562 HydrophobicContact CB-CE2 4.28Å; V554-F562 HydrophobicContact CB-CZ 4Å; V554-F562 HydrophobicContact CG1-CE1 3.71Å; V554-F562 HydrophobicContact CG1-CE2 4Å; V554-F562 HydrophobicContact CG1-CZ 3.33Å; V554-F562 WeakPolarHBondContact O-CD1 3.33Å; V554-F562 PolarHBondContact O-N 3.17Å; V554-G563 PolarHBondContact N-O 3.26Å; V554-H565 HydrophobicContact CG2-CB 4.13Å; V554-A584 HydrophobicContact CG2-CB 3.87Å
555	F	94.2	Very high	90.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142	-177	-59	-97.8	0	0	0	111.2	L349 M352 L459 A472 C473 I475 P553 R560 I561	L349-F555 HydrophobicContact CD2-CB 3.84Å; L349-F555 HydrophobicContact CD2-CD1 3.89Å; L349-F555 HydrophobicContact CD2-CD2 3.98Å; L349-F555 HydrophobicContact CD2-CE1 4.47Å; L349-F555 HydrophobicContact CD2-CG 3.62Å; M352-F555 HydrophobicContact CB-CE1 3.8Å; M352-F555 HydrophobicContact CB-CZ 4.08Å; M352-F555 HydrophobicContact CE-CD1 3.56Å; M352-F555 HydrophobicContact CE-CE1 3.55Å; M352-F555 HydrophobicContact CG-CE1 4.37Å; M352-F555 HydrophobicContact SD-CD1 4.13Å; M352-F555 HydrophobicContact SD-CE1 3.74Å; L459-F555 HydrophobicContact CD1-CZ 4.38Å; A472-F555 CarbonylContact C-O 3.6Å; A472-F555 WeakPolarHBondContact CA-O 3.38Å; C473-F555 HydrophobicContact CB-CB 4.09Å; C473-F555 PolarHBondContact N-O 2.89Å; C473-F555 WeakPolarHBondContact O-CD2 3.45Å; C473-F555 PolarHBondContact O-N 2.72Å; I475-F555 HydrophobicContact CB-CE2 4.11Å; I475-F555 HydrophobicContact CD1-CD2 4.12Å; I475-F555 HydrophobicContact CD1-CE2 3.56Å; I475-F555 HydrophobicContact CD1-CZ 4.08Å; I475-F555 HydrophobicContact CG1-CD2 4.09Å; I475-F555 HydrophobicContact CG1-CE2 3.69Å; P553-F555 HydrophobicContact CB-CE2 3.95Å; P553-F555 HydrophobicContact CB-CZ 4.16Å; P553-F555 HydrophobicContact CG-CE2 3.79Å; P553-F555 HydrophobicContact CG-CZ 4.04Å; F555-R560 CarbonylContact C-O 3.54Å; F555-R560 WeakPolarHBondContact CA-O 3.47Å; F555-I561 HydrophobicContact CD1-CD1 4.15Å; F555-I561 HydrophobicContact CD1-CG1 3.71Å; F555-I561 HydrophobicContact CE1-CD1 3.46Å; F555-I561 VanDerWaalsContact CE1-CD1 3.46Å; F555-I561 HydrophobicContact CE1-CG1 3.54Å; F555-I561 HydrophobicContact CZ-CD1 3.79Å; F555-I561 HydrophobicContact CZ-CG1 4.26Å
556	D	89.9	Confident	91	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.053	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	178.8	168.1	76.9	2.7	0	0	0	112	P467 H558 G559 R560 F562	P467-D556 HydrophobicContact CG-CB 4.01Å; D556-H558 PolarHBondContact O-N 3Å; D556-H558 VanDerWaalsContact O-N 3.13Å; D556-H558 WeakPolarHBondContact OD1-CA 3.22Å; D556-H558 WeakPolarHBondContact OD1-CB 3.3Å; D556-H558 PolarHBondContact OD1-N 2.92Å; D556-H558 IonicContact OD2-ND1 3.23Å; D556-G559 PolarHBondContact O-N 3.13Å; D556-G559 PolarHBondContact OD1-N 3.35Å; D556-R560 PolarHBondContact N-O 3.21Å; D556-R560 PolarHBondContact OD1-N 3.41Å; D556-R560 IonicContact OD1-NE 3.19Å; D556-R560 IonicContact OD2-CZ 2.8Å; D556-R560 IonicContact OD2-NE 3.73Å; D556-R560 PolarHBondContact OD2-NE 3.07Å; D556-R560 IonicContact OD2-NH2 2.97Å; D556-R560 PolarHBondContact OD2-NH2 3.49Å; D556-F562 HydrophobicContact CB-CD1 3.84Å; D556-F562 HydrophobicContact CB-CE1 4.2Å
557	A	81.3	Confident	91.8	Very high	29 Å²	29	20.5 Å²	20.5	24%	0.24	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24	179.1	0	0	0	0	0	114.7	R345 E471	R345-A557 PolarHBondContact NE-O 3.06Å; R345-A557 VanDerWaalsContact NE-O 3.16Å; R345-A557 PolarHBondContact NH2-O 2.95Å; R345-A557 VanDerWaalsContact NH2-O 3.08Å; E471-A557 HydrophobicContact CB-CB 4.18Å; E471-A557 HydrophobicContact CG-CB 4.42Å; E471-A557 WeakPolarHBondContact OE2-CB 3.42Å
558	H	82.3	Confident	92.2	Very high	140 Å²	140	16.7 Å²	16.7	65%	0.648	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.1	-178.6	-53.7	93.6	0	0	0	112.5	D556 R560	D556-H558 PolarHBondContact O-N 3Å; D556-H558 VanDerWaalsContact O-N 3.13Å; D556-H558 WeakPolarHBondContact OD1-CA 3.22Å; D556-H558 WeakPolarHBondContact OD1-CB 3.3Å; D556-H558 PolarHBondContact OD1-N 2.92Å; D556-H558 IonicContact OD2-ND1 3.23Å; H558-R560 HydrophobicContact CB-CG 4.43Å
559	G	83.5	Confident	92.5	Very high	14 Å²	14	16.9 Å²	16.9	14%	0.144	10%	0.098	C	C	.	.	S	Bend	trans	78.7	18.1	-174.6	0	0	0	0	0	113.6	M352 D556	M352-G559 VanDerWaalsContact SD-O 3.33Å; D556-G559 PolarHBondContact O-N 3.13Å; D556-G559 PolarHBondContact OD1-N 3.35Å
560	R	93.1	Very high	92.2	Very high	77 Å²	77	19.1 Å²	19.1	29%	0.291	11%	0.11	S	C	.	.			trans	-84.6	154.2	167.5	-58.2	177.7	-61.9	-178.9	3.5	109.2	R462 F555 D556 H558	R462-R560 CarbonylContact O-C 3.23Å; R462-R560 VanDerWaalsContact O-CA 3.32Å; R462-R560 WeakPolarHBondContact O-CA 3.44Å; R462-R560 WeakPolarHBondContact O-CB 3.41Å; F555-R560 CarbonylContact C-O 3.54Å; F555-R560 WeakPolarHBondContact CA-O 3.47Å; D556-R560 PolarHBondContact N-O 3.21Å; D556-R560 PolarHBondContact OD1-N 3.41Å; D556-R560 IonicContact OD1-NE 3.19Å; D556-R560 IonicContact OD2-CZ 2.8Å; D556-R560 IonicContact OD2-NE 3.73Å; D556-R560 PolarHBondContact OD2-NE 3.07Å; D556-R560 IonicContact OD2-NH2 2.97Å; D556-R560 PolarHBondContact OD2-NH2 3.49Å; H558-R560 HydrophobicContact CB-CG 4.43Å
561	I	96.3	Very high	91.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.1	178.2	-38.7	-169.8	0	0	0	108.3	L459 R462 F463 G464 P553 V554 F555 L587	L459-I561 HydrophobicContact CB-CD1 3.45Å; L459-I561 VanDerWaalsContact CB-CD1 3.45Å; L459-I561 HydrophobicContact CD1-CD1 3.27Å; L459-I561 HydrophobicContact CD2-CD1 4.23Å; L459-I561 HydrophobicContact CG-CD1 3.8Å; R462-I561 HydrophobicContact CB-CG1 4.12Å; R462-I561 PolarHBondContact O-N 3.48Å; F463-I561 CarbonylContact C-O 3.19Å; F463-I561 WeakPolarHBondContact CA-O 3.12Å; G464-I561 PolarHBondContact N-O 2.86Å; P553-I561 HydrophobicContact CB-CD1 4.1Å; P553-I561 HydrophobicContact CB-CG2 3.59Å; V554-I561 WeakPolarHBondContact O-CA 3.42Å; V554-I561 VanDerWaalsContact O-CG2 3.28Å; V554-I561 WeakPolarHBondContact O-CG2 3.44Å; F555-I561 HydrophobicContact CD1-CD1 4.15Å; F555-I561 HydrophobicContact CD1-CG1 3.71Å; F555-I561 HydrophobicContact CE1-CD1 3.46Å; F555-I561 VanDerWaalsContact CE1-CD1 3.46Å; F555-I561 HydrophobicContact CE1-CG1 3.54Å; F555-I561 HydrophobicContact CZ-CD1 3.79Å; F555-I561 HydrophobicContact CZ-CG1 4.26Å; I561-L587 HydrophobicContact CB-CD1 3.86Å; I561-L587 HydrophobicContact CG2-CD1 3.38Å
562	F	96.8	Very high	89.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-18.3	-174.9	68	-97	0	0	0	113.2	G464 P465 L466 P467 A472 I490 A539 V554 D556 P586 L587	G464-F562 WeakPolarHBondContact O-CA 3.01Å; P465-F562 WeakPolarHBondContact O-CB 3.36Å; L466-F562 HydrophobicContact CD1-CD2 3.75Å; L466-F562 HydrophobicContact CD1-CE2 4.02Å; P467-F562 HydrophobicContact CG-CB 4.49Å; P467-F562 HydrophobicContact CG-CD1 3.93Å; P467-F562 HydrophobicContact CG-CE1 4.21Å; P467-F562 HydrophobicContact CG-CG 4.08Å; A472-F562 HydrophobicContact CB-CE1 4.19Å; A472-F562 HydrophobicContact CB-CZ 4.03Å; I490-F562 HydrophobicContact CD1-CE1 4.47Å; I490-F562 HydrophobicContact CD1-CE2 4.39Å; I490-F562 HydrophobicContact CD1-CZ 3.94Å; I490-F562 HydrophobicContact CG1-CZ 4.34Å; A539-F562 HydrophobicContact CB-CD2 4.48Å; A539-F562 HydrophobicContact CB-CE2 3.61Å; A539-F562 HydrophobicContact CB-CZ 4.45Å; V554-F562 HydrophobicContact CB-CE1 4.26Å; V554-F562 HydrophobicContact CB-CE2 4.28Å; V554-F562 HydrophobicContact CB-CZ 4Å; V554-F562 HydrophobicContact CG1-CE1 3.71Å; V554-F562 HydrophobicContact CG1-CE2 4Å; V554-F562 HydrophobicContact CG1-CZ 3.33Å; V554-F562 WeakPolarHBondContact O-CD1 3.33Å; V554-F562 PolarHBondContact O-N 3.17Å; D556-F562 HydrophobicContact CB-CD1 3.84Å; D556-F562 HydrophobicContact CB-CE1 4.2Å; F562-P586 CarbonylContact O-C 3.56Å; F562-P586 VanDerWaalsContact O-CA 3.32Å; F562-P586 WeakPolarHBondContact O-CA 3.36Å; F562-L587 PolarHBondContact O-N 3.25Å
563	G	97.1	Very high	87.6	Confident	1 Å²	1	23 Å²	23	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.2	-175.7	0	0	0	0	0	114.2	V554 H585	V554-G563 PolarHBondContact N-O 3.26Å; G563-H585 CarbonylContact C-O 3.52Å; G563-H585 WeakPolarHBondContact CA-O 3.37Å
564	I	97.8	Very high	85.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.7	167.9	-168.4	168.9	0	0	0	108.5	F370 L378 T566 A584 H585 L587 I590	F370-I564 HydrophobicContact CE1-CD1 4.27Å; F370-I564 HydrophobicContact CE1-CG1 4.39Å; L378-I564 HydrophobicContact CD2-CD1 4.39Å; L378-I564 HydrophobicContact CG-CD1 4.1Å; I564-T566 PolarHBondContact O-N 3.2Å; I564-A584 CarbonylContact O-C 3.53Å; I564-A584 WeakPolarHBondContact O-CA 3.47Å; I564-A584 WeakPolarHBondContact O-CB 3.1Å; I564-H585 HydrophobicContact CG2-CB 4.21Å; I564-H585 PolarHBondContact N-O 3.11Å; I564-H585 PolarHBondContact O-N 2.87Å; I564-H585 VanDerWaalsContact O-N 3.08Å; I564-L587 HydrophobicContact CB-CD2 4.15Å; I564-I590 HydrophobicContact CG2-CD1 3.34Å
565	H	97.1	Very high	82.3	Confident	4 Å²	4	36 Å²	36	2%	0.019	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123	176	175.1	68.4	0	0	0	109.6	N380 L474 Y541 A549 G551 S552 V554 E582	N380-H565 PolarHBondContact OD1-O 2.85Å; L474-H565 HydrophobicContact CD2-CB 3.85Å; Y541-H565 AromaticContact CE2-ND1 3.77Å; Y541-H565 AromaticContact CZ-ND1 3.78Å; Y541-H565 WeakPolarHBondContact OH-CB 3.35Å; Y541-H565 PolarHBondContact OH-ND1 3.45Å; A549-H565 PolarHBondContact O-CD2 3.07Å; G551-H565 PolarHBondContact N-O 2.96Å; S552-H565 PolarHBondContact O-N 3Å; V554-H565 HydrophobicContact CG2-CB 4.13Å; H565-E582 IonicContact CE1-OE2 2.78Å; H565-E582 PolarHBondContact CE1-OE2 2.98Å; H565-E582 IonicContact NE2-OE2 3.34Å
566	T	93.4	Very high	80.4	Confident	6 Å²	6	41.9 Å²	41.9	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-44.6	-172.2	-76.8	0	0	0	0	112.2	N380 H382 D431 S550 I564 Y583 H585	N380-T566 PolarHBondContact ND2-OG1 3.01Å; N380-T566 VanDerWaalsContact ND2-OG1 3.09Å; H382-T566 PolarHBondContact CE1-O 2.85Å; D431-T566 HydrophobicContact CB-CG2 4.31Å; D431-T566 WeakPolarHBondContact OD2-CG2 3.31Å; S550-T566 PolarHBondContact OG-O 2.85Å; I564-T566 PolarHBondContact O-N 3.2Å; T566-Y583 HydrophobicContact CG2-CE2 3.7Å; T566-Y583 PolarHBondContact N-O 2.72Å; T566-Y583 VanDerWaalsContact N-O 3.1Å; T566-H585 PolarHBondContact OG1-ND1 3.43Å
567	G	88.1	Confident	79.2	Confident	16 Å²	16	46.5 Å²	46.5	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-163.8	-178.1	0	0	0	0	0	113.1	E582 Y583	G567-E582 WeakPolarHBondContact O-CA 3.49Å; G567-Y583 WeakPolarHBondContact O-CD1 3.44Å; G567-Y583 PolarHBondContact O-N 2.84Å
568	G	88.1	Confident	78.8	Confident	27 Å²	27	46.9 Å²	46.9	28%	0.278	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164.3	-176.9	0	0	0	0	0	114.1	I581	G568-I581 WeakPolarHBondContact CA-O 3.4Å
569	Y	87.9	Confident	78.6	Confident	14 Å²	14	42.1 Å²	42.1	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.9	178.7	-61.8	-87.9	0	0	0	108.8	Q523 G524 I525 I528 V580 I581 Y583	Q523-Y569 HydrophobicContact CB-CD1 3.89Å; Q523-Y569 HydrophobicContact CB-CE1 4.3Å; Q523-Y569 WeakPolarHBondContact O-CE1 3.37Å; G524-Y569 PolarHBondContact O-OH 3.15Å; I525-Y569 HydrophobicContact CB-CD1 3.63Å; I525-Y569 HydrophobicContact CB-CE1 3.78Å; I525-Y569 HydrophobicContact CB-CG 4.16Å; I525-Y569 HydrophobicContact CD1-CD1 4.37Å; I525-Y569 HydrophobicContact CD1-CG 4.05Å; I525-Y569 HydrophobicContact CG1-CD1 3.78Å; I525-Y569 HydrophobicContact CG1-CD2 4.11Å; I525-Y569 HydrophobicContact CG1-CE1 4.07Å; I525-Y569 HydrophobicContact CG1-CE2 4.37Å; I525-Y569 HydrophobicContact CG1-CG 3.78Å; I525-Y569 VanDerWaalsContact N-CE1 3.34Å; I528-Y569 HydrophobicContact CD1-CD2 3.88Å; I528-Y569 HydrophobicContact CD1-CE2 3.35Å; I528-Y569 HydrophobicContact CG1-CE2 3.75Å; I528-Y569 HydrophobicContact CG2-CE2 4.27Å; I528-Y569 WeakPolarHBondContact CG2-OH 3.09Å; Y569-V580 WeakPolarHBondContact O-CB 3.43Å; Y569-V580 PolarHBondContact O-N 2.98Å; Y569-I581 HydrophobicContact CD2-CG2 3.73Å; Y569-I581 HydrophobicContact CG-CG2 4.25Å; Y569-I581 PolarHBondContact N-O 3.36Å; Y569-Y583 HydrophobicContact CD2-CD1 4.19Å; Y569-Y583 HydrophobicContact CD2-CE1 4.47Å; Y569-Y583 AromaticContact CE2-CD1 3.61Å; Y569-Y583 HydrophobicContact CE2-CD1 3.61Å; Y569-Y583 AromaticContact CE2-CE1 3.84Å; Y569-Y583 HydrophobicContact CE2-CE1 3.84Å
570	I	84	Confident	78.7	Confident	47 Å²	47	41.6 Å²	41.6	24%	0.241	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.3	-168.9	65.4	175.1	0	0	0	111.2	Q523 K577 N579	Q523-I570 PolarHBondContact NE2-O 2.91Å; I570-K577 HydrophobicContact CD1-CD 4.07Å; I570-K577 HydrophobicContact CD1-CG 4.39Å; I570-N579 WeakPolarHBondContact CG2-OD1 3.49Å
571	C	75.3	Confident	78.5	Confident	1 Å²	1	38 Å²	38	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.6	165.7	-81.7	0	0	0	0	107.7	K516 L520 D578 V580	K516-C571 HydrophobicContact CD-CB 3.91Å; K516-C571 HydrophobicContact CG-CB 4.44Å; L520-C571 VanDerWaalsContact CG-SG 3.53Å; C571-D578 PolarHBondContact N-O 3.05Å; C571-D578 WeakPolarHBondContact O-CA 3.33Å; C571-D578 VanDerWaalsContact O-CB 3.23Å; C571-D578 WeakPolarHBondContact O-CB 3.37Å; C571-D578 PolarHBondContact O-N 3.27Å; C571-V580 HydrophobicContact CB-CG2 3.92Å
572	G	64.3	Low	78.4	Confident	27 Å²	27	38.2 Å²	38.2	28%	0.278	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	174.9	176.9	0	0	0	0	0	115.6	K516 I576	K516-G572 VanDerWaalsContact NZ-N 3.12Å; K516-G572 PolarHBondContact NZ-O 3.24Å; G572-I576 WeakPolarHBondContact CA-O 3.32Å
573	S	54.7	Low	78.3	Confident	69 Å²	69	40.5 Å²	40.5	48%	0.483	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	164.4	158.7	51.5	0	0	0	0	108.1	N575 I576	S573-N575 PolarHBondContact O-N 3.1Å; S573-I576 PolarHBondContact N-O 3.4Å; S573-I576 CarbonylContact O-C 3.07Å; S573-I576 PolarHBondContact O-N 3.45Å; S573-I576 VanDerWaalsContact O-O 3.1Å
574	P	44.3	Very low	78.2	Confident	119 Å²	119	40.5 Å²	40.5	77%	0.773	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.2	-176.9	-28.2	35.2	0	0	0	114.7
575	N	39.9	Very low	78.2	Confident	155 Å²	155	41.1 Å²	41.1	83%	0.829	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-13.1	-175.1	-59.5	-7.8	0	0	0	114.2	S573	S573-N575 PolarHBondContact O-N 3.1Å
576	I	54.6	Low	78.2	Confident	123 Å²	123	41.5 Å²	41.5	63%	0.631	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	98	176.9	-56.7	176.9	0	0	0	107.5	G572 S573	G572-I576 WeakPolarHBondContact CA-O 3.32Å; S573-I576 PolarHBondContact N-O 3.4Å; S573-I576 CarbonylContact O-C 3.07Å; S573-I576 PolarHBondContact O-N 3.45Å; S573-I576 VanDerWaalsContact O-O 3.1Å
577	K	63.5	Low	78.4	Confident	108 Å²	108	41.2 Å²	41.2	47%	0.47	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.1	173.8	-63.9	-179.1	-174.1	-175.7	0	108.8	H547 I570	H547-K577 WeakPolarHBondContact NE2-CD 3.19Å; H547-K577 PolarHBondContact NE2-NZ 3.22Å; I570-K577 HydrophobicContact CD1-CD 4.07Å; I570-K577 HydrophobicContact CD1-CG 4.39Å
578	D	72.1	Confident	78.8	Confident	36 Å²	36	41.9 Å²	41.9	19%	0.193	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	102.1	-175.7	170.6	50.4	0	0	0	107.8	H503 K506 Y507 C571 V580	H503-D578 IonicContact CD2-OD2 3.23Å; H503-D578 IonicContact CE1-OD1 2.72Å; H503-D578 PolarHBondContact CE1-OD1 3.07Å; H503-D578 IonicContact CE1-OD2 2.89Å; H503-D578 IonicContact NE2-OD1 2.69Å; H503-D578 PolarHBondContact NE2-OD1 3.04Å; H503-D578 IonicContact NE2-OD2 2.8Å; H503-D578 PolarHBondContact NE2-OD2 2.87Å; K506-D578 WeakPolarHBondContact CE-OD2 3.29Å; K506-D578 IonicContact NZ-OD1 3.37Å; K506-D578 PolarHBondContact NZ-OD1 3.44Å; K506-D578 IonicContact NZ-OD2 2.73Å; K506-D578 PolarHBondContact NZ-OD2 3.44Å; Y507-D578 PolarHBondContact OH-OD2 3.35Å; C571-D578 PolarHBondContact N-O 3.05Å; C571-D578 WeakPolarHBondContact O-CA 3.33Å; C571-D578 VanDerWaalsContact O-CB 3.23Å; C571-D578 WeakPolarHBondContact O-CB 3.37Å; C571-D578 PolarHBondContact O-N 3.27Å; D578-V580 PolarHBondContact O-N 3.49Å
579	N	78.6	Confident	79.3	Confident	41 Å²	41	43.5 Å²	43.5	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.6	-177.4	-63	-12.2	0	0	0	109	H503 I570 E582	H503-N579 PolarHBondContact CE1-O 3.1Å; H503-N579 PolarHBondContact NE2-O 2.96Å; I570-N579 WeakPolarHBondContact CG2-OD1 3.49Å; N579-E582 HydrophobicContact CB-CG 4.36Å; N579-E582 WeakPolarHBondContact CB-OE1 3.43Å; N579-E582 PolarHBondContact ND2-OE1 3.17Å
580	V	85.5	Confident	79.7	Confident	2 Å²	2	43 Å²	43	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-47.5	-175.7	-176.1	0	0	0	0	110.8	V500 H503 L520 N542 Y569 C571 D578	V500-V580 HydrophobicContact CB-CG1 4.23Å; V500-V580 HydrophobicContact CG1-CG1 4.14Å; V500-V580 HydrophobicContact CG2-CG1 3.9Å; H503-V580 HydrophobicContact CB-CG1 4.04Å; L520-V580 HydrophobicContact CD1-CG1 4.31Å; L520-V580 HydrophobicContact CD1-CG2 4.28Å; L520-V580 HydrophobicContact CD2-CB 4.25Å; L520-V580 HydrophobicContact CD2-CG2 3.85Å; N542-V580 PolarHBondContact OD1-O 2.87Å; Y569-V580 WeakPolarHBondContact O-CB 3.43Å; Y569-V580 PolarHBondContact O-N 2.98Å; C571-V580 HydrophobicContact CB-CG2 3.92Å; D578-V580 PolarHBondContact O-N 3.49Å
581	I	90.3	Very high	80.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	140.3	178.1	-169.7	168	0	0	0	108.4	I491 R496 V500 I525 I528 G568 Y569	I491-I581 HydrophobicContact CD1-CD1 4.11Å; I491-I581 HydrophobicContact CD1-CG1 4.21Å; I491-I581 HydrophobicContact CG2-CD1 4.42Å; R496-I581 HydrophobicContact CB-CD1 4.12Å; R496-I581 HydrophobicContact CG-CD1 3.87Å; V500-I581 HydrophobicContact CG2-CG2 4.47Å; I525-I581 HydrophobicContact CD1-CG2 3.96Å; I525-I581 HydrophobicContact CG1-CG2 4.49Å; I528-I581 HydrophobicContact CD1-CD1 4.32Å; I528-I581 HydrophobicContact CD1-CG2 4.03Å; G568-I581 WeakPolarHBondContact CA-O 3.4Å; Y569-I581 HydrophobicContact CD2-CG2 3.73Å; Y569-I581 HydrophobicContact CG-CG2 4.25Å; Y569-I581 PolarHBondContact N-O 3.36Å
582	E	93.4	Very high	81.5	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	161.6	-177.3	-55.4	-162.7	-154.2	0	0	110.7	S540 Y541 T543 H565 G567 N579	S540-E582 CarbonylContact C-O 3.41Å; S540-E582 WeakPolarHBondContact CA-O 3.31Å; S540-E582 WeakPolarHBondContact CB-O 3.44Å; Y541-E582 HydrophobicContact CD2-CB 4.35Å; Y541-E582 HydrophobicContact CE2-CB 4.15Å; Y541-E582 PolarHBondContact N-O 3.02Å; Y541-E582 PolarHBondContact O-N 2.86Å; T543-E582 HydrophobicContact CG2-CB 3.84Å; T543-E582 HydrophobicContact CG2-CG 3.79Å; T543-E582 WeakPolarHBondContact CG2-OE1 3.39Å; T543-E582 WeakPolarHBondContact CG2-OE2 3.4Å; H565-E582 IonicContact CE1-OE2 2.78Å; H565-E582 PolarHBondContact CE1-OE2 2.98Å; H565-E582 IonicContact NE2-OE2 3.34Å; G567-E582 WeakPolarHBondContact O-CA 3.49Å; N579-E582 HydrophobicContact CB-CG 4.36Å; N579-E582 WeakPolarHBondContact CB-OE1 3.43Å; N579-E582 PolarHBondContact ND2-OE1 3.17Å
583	Y	94.3	Very high	83	Confident	49 Å²	49	46.5 Å²	46.5	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.5	-174.5	70.3	-86.1	0	0	0	114.5	A539 T566 G567 Y569 H585	A539-Y583 CarbonylContact O-C 3.53Å; A539-Y583 WeakPolarHBondContact O-CA 3.49Å; A539-Y583 VanDerWaalsContact O-CB 3.27Å; A539-Y583 WeakPolarHBondContact O-CB 3.48Å; T566-Y583 HydrophobicContact CG2-CE2 3.7Å; T566-Y583 PolarHBondContact N-O 2.72Å; T566-Y583 VanDerWaalsContact N-O 3.1Å; G567-Y583 WeakPolarHBondContact O-CD1 3.44Å; G567-Y583 PolarHBondContact O-N 2.84Å; Y569-Y583 HydrophobicContact CD2-CD1 4.19Å; Y569-Y583 HydrophobicContact CD2-CE1 4.47Å; Y569-Y583 AromaticContact CE2-CD1 3.61Å; Y569-Y583 HydrophobicContact CE2-CD1 3.61Å; Y569-Y583 AromaticContact CE2-CE1 3.84Å; Y569-Y583 HydrophobicContact CE2-CE1 3.84Å; Y583-H585 AromaticContact CE2-CE1 3.75Å
584	A	96.1	Very high	85.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.4	174.3	0	0	0	0	0	111.7	V538 A539 Y541 V554 I564	V538-A584 WeakPolarHBondContact CB-O 3.45Å; A539-A584 HydrophobicContact CB-CB 4.4Å; A539-A584 PolarHBondContact N-O 3.44Å; A539-A584 VanDerWaalsContact N-O 3.1Å; A539-A584 PolarHBondContact O-N 3.33Å; Y541-A584 HydrophobicContact CE1-CB 4.02Å; Y541-A584 WeakPolarHBondContact OH-CB 3.44Å; V554-A584 HydrophobicContact CG2-CB 3.87Å; I564-A584 CarbonylContact O-C 3.53Å; I564-A584 WeakPolarHBondContact O-CA 3.47Å; I564-A584 WeakPolarHBondContact O-CB 3.1Å
585	H	96.9	Very high	87.6	Confident	14 Å²	14	37.8 Å²	37.8	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.9	170.6	-72.4	103.4	0	0	0	110.7	G563 I564 T566 Y583 I590	G563-H585 CarbonylContact C-O 3.52Å; G563-H585 WeakPolarHBondContact CA-O 3.37Å; I564-H585 HydrophobicContact CG2-CB 4.21Å; I564-H585 PolarHBondContact N-O 3.11Å; I564-H585 PolarHBondContact O-N 2.87Å; I564-H585 VanDerWaalsContact O-N 3.08Å; T566-H585 PolarHBondContact OG1-ND1 3.43Å; Y583-H585 AromaticContact CE2-CE1 3.75Å; H585-I590 HydrophobicContact CB-CD1 3.82Å; H585-I590 HydrophobicContact CB-CG1 4.48Å
586	P	97.2	Very high	90.3	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.071	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.9	178.9	-21.6	34.1	0	0	0	112.5	L466 K537 F562 L588 T589 I590	L466-P586 HydrophobicContact CB-CB 4.42Å; L466-P586 HydrophobicContact CB-CG 4.42Å; L466-P586 HydrophobicContact CD2-CG 4.01Å; K537-P586 WeakPolarHBondContact O-CD 3.42Å; K537-P586 WeakPolarHBondContact O-CG 3.26Å; F562-P586 CarbonylContact O-C 3.56Å; F562-P586 VanDerWaalsContact O-CA 3.32Å; F562-P586 WeakPolarHBondContact O-CA 3.36Å; P586-L588 VanDerWaalsContact C-N 3.35Å; P586-L588 PolarHBondContact O-N 3.44Å; P586-T589 PolarHBondContact O-N 2.62Å; P586-I590 PolarHBondContact O-N 3.48Å; P586-I590 VanDerWaalsContact O-N 3.12Å
587	L	97.8	Very high	92.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70	-29.9	-177.4	-80.3	173.2	0	0	0	113.5	F370 L378 F463 I561 F562 I564 I590 F591	F370-L587 HydrophobicContact CZ-CD1 4.1Å; F370-L587 HydrophobicContact CZ-CD2 4.04Å; L378-L587 HydrophobicContact CD2-CD2 3.48Å; L378-L587 VanDerWaalsContact CD2-CD2 3.48Å; F463-L587 HydrophobicContact CD1-CD1 4.09Å; F463-L587 HydrophobicContact CD2-CB 3.77Å; F463-L587 HydrophobicContact CE1-CB 4.48Å; F463-L587 HydrophobicContact CE1-CD1 3.73Å; F463-L587 HydrophobicContact CE1-CD2 4.46Å; F463-L587 HydrophobicContact CE1-CG 4.45Å; F463-L587 HydrophobicContact CE2-CB 3.66Å; F463-L587 HydrophobicContact CE2-CD1 4.34Å; F463-L587 HydrophobicContact CE2-CD2 4.06Å; F463-L587 HydrophobicContact CE2-CG 4.22Å; F463-L587 HydrophobicContact CG-CB 4.23Å; F463-L587 HydrophobicContact CZ-CB 4.03Å; F463-L587 HydrophobicContact CZ-CD1 3.86Å; F463-L587 HydrophobicContact CZ-CD2 3.77Å; F463-L587 HydrophobicContact CZ-CG 4.1Å; I561-L587 HydrophobicContact CB-CD1 3.86Å; I561-L587 HydrophobicContact CG2-CD1 3.38Å; F562-L587 PolarHBondContact O-N 3.25Å; I564-L587 HydrophobicContact CB-CD2 4.15Å; L587-I590 HydrophobicContact CD2-CD1 4.48Å; L587-I590 PolarHBondContact O-N 3.3Å; L587-F591 VanDerWaalsContact O-CB 3.23Å; L587-F591 WeakPolarHBondContact O-CB 3.35Å; L587-F591 PolarHBondContact O-N 3.49Å
588	L	97.3	Very high	93.7	Very high	30 Å²	30	22.6 Å²	22.6	16%	0.157	11%	0.113	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.9	-66.1	-175.2	0	0	0	111.9	F463 P465 P586 F591 E592 Y619 L620 I623	F463-L588 HydrophobicContact CB-CD2 4.05Å; P465-L588 HydrophobicContact CB-CD1 4.35Å; P586-L588 VanDerWaalsContact C-N 3.35Å; P586-L588 PolarHBondContact O-N 3.44Å; L588-F591 PolarHBondContact O-N 2.82Å; L588-E592 WeakPolarHBondContact O-CB 3.2Å; L588-E592 PolarHBondContact O-N 3.47Å; L588-Y619 HydrophobicContact CD1-CD1 4.38Å; L588-Y619 HydrophobicContact CD1-CG 4.26Å; L588-L620 HydrophobicContact CD2-CD2 3.68Å; L588-I623 HydrophobicContact CB-CD1 4.16Å; L588-I623 HydrophobicContact CD2-CD1 4.14Å
589	T	96.9	Very high	94.8	Very high	62 Å²	62	23.5 Å²	23.5	38%	0.38	12%	0.116	S	C	.	.	H	α-helix	trans	-65.9	-43.2	174.9	-54.8	0	0	0	0	111.4	L430 P586 F591 E592 K593	L430-T589 HydrophobicContact CD1-CG2 4.13Å; L430-T589 HydrophobicContact CD2-CG2 4.36Å; P586-T589 PolarHBondContact O-N 2.62Å; T589-F591 VanDerWaalsContact C-N 3.33Å; T589-F591 PolarHBondContact O-N 3.31Å; T589-E592 PolarHBondContact O-N 2.94Å; T589-K593 PolarHBondContact O-N 2.99Å
590	I	98	Very high	95.5	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-43.5	173.9	-73.1	167.8	0	0	0	111	L378 L430 F432 I564 H585 P586 L587 K593 F594	L378-I590 HydrophobicContact CD1-CG2 4.4Å; L378-I590 HydrophobicContact CD2-CG2 4.45Å; L430-I590 HydrophobicContact CB-CG1 4.34Å; L430-I590 HydrophobicContact CD1-CG1 4.47Å; F432-I590 HydrophobicContact CB-CD1 4.31Å; F432-I590 HydrophobicContact CB-CG1 4.49Å; F432-I590 HydrophobicContact CB-CG2 3.94Å; F432-I590 HydrophobicContact CD1-CB 4.34Å; F432-I590 HydrophobicContact CD1-CG1 4.08Å; F432-I590 HydrophobicContact CD1-CG2 3.7Å; F432-I590 HydrophobicContact CD2-CG2 3.87Å; F432-I590 HydrophobicContact CE1-CG2 4.14Å; F432-I590 HydrophobicContact CE2-CG2 4.32Å; F432-I590 HydrophobicContact CG-CG1 4.48Å; F432-I590 HydrophobicContact CG-CG2 3.55Å; F432-I590 HydrophobicContact CZ-CG2 4.44Å; I564-I590 HydrophobicContact CG2-CD1 3.34Å; H585-I590 HydrophobicContact CB-CD1 3.82Å; H585-I590 HydrophobicContact CB-CG1 4.48Å; P586-I590 PolarHBondContact O-N 3.48Å; P586-I590 VanDerWaalsContact O-N 3.12Å; L587-I590 HydrophobicContact CD2-CD1 4.48Å; L587-I590 PolarHBondContact O-N 3.3Å; I590-K593 PolarHBondContact O-N 3.3Å; I590-F594 WeakPolarHBondContact O-CB 3.31Å; I590-F594 PolarHBondContact O-N 2.97Å
591	F	97.9	Very high	95.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-41.8	179.9	-177.2	-101	0	0	0	112.2	L460 F463 L587 L588 T589 F594 V595 V610 L620 I623 L624	L460-F591 HydrophobicContact CD1-CD2 3.73Å; L460-F591 HydrophobicContact CD1-CE2 3.63Å; L460-F591 HydrophobicContact CD2-CE2 4.28Å; F463-F591 HydrophobicContact CD2-CB 4.33Å; F463-F591 HydrophobicContact CE2-CB 4.21Å; L587-F591 VanDerWaalsContact O-CB 3.23Å; L587-F591 WeakPolarHBondContact O-CB 3.35Å; L587-F591 PolarHBondContact O-N 3.49Å; L588-F591 PolarHBondContact O-N 2.82Å; T589-F591 VanDerWaalsContact C-N 3.33Å; T589-F591 PolarHBondContact O-N 3.31Å; F591-F594 HydrophobicContact CD2-CD1 4.47Å; F591-F594 PolarHBondContact O-N 2.95Å; F591-V595 HydrophobicContact CD1-CG2 4.15Å; F591-V595 HydrophobicContact CE1-CG2 3.74Å; F591-V595 HydrophobicContact CE2-CG2 4.24Å; F591-V595 HydrophobicContact CZ-CG2 3.8Å; F591-V595 WeakPolarHBondContact O-CG2 3.24Å; F591-V595 PolarHBondContact O-N 3.08Å; F591-V610 HydrophobicContact CE2-CG1 3.55Å; F591-V610 HydrophobicContact CZ-CG1 3.49Å; F591-V610 VanDerWaalsContact CZ-CG1 3.49Å; F591-L620 HydrophobicContact CB-CD2 4.39Å; F591-L620 HydrophobicContact CD1-CB 4.49Å; F591-L620 HydrophobicContact CD1-CD2 3.49Å; F591-L620 VanDerWaalsContact CD1-CD2 3.49Å; F591-L620 HydrophobicContact CD1-CG 4.5Å; F591-L620 HydrophobicContact CD2-CD2 4.29Å; F591-L620 HydrophobicContact CE1-CB 3.87Å; F591-L620 HydrophobicContact CE1-CD2 3.7Å; F591-L620 HydrophobicContact CE1-CG 4.25Å; F591-L620 HydrophobicContact CE2-CD2 4.47Å; F591-L620 HydrophobicContact CG-CD2 3.79Å; F591-L620 HydrophobicContact CZ-CB 4.2Å; F591-L620 HydrophobicContact CZ-CD1 4.39Å; F591-L620 HydrophobicContact CZ-CD2 4.19Å; F591-L620 HydrophobicContact CZ-CG 4.49Å; F591-I623 HydrophobicContact CD1-CB 4.19Å; F591-I623 HydrophobicContact CD1-CD1 3.91Å; F591-I623 HydrophobicContact CD1-CG2 3.85Å; F591-I623 HydrophobicContact CE1-CB 4.29Å; F591-I623 HydrophobicContact CE1-CG2 4.1Å; F591-L624 HydrophobicContact CE1-CG 4.24Å; F591-L624 HydrophobicContact CZ-CD1 4.47Å; F591-L624 HydrophobicContact CZ-CD2 4.4Å; F591-L624 HydrophobicContact CZ-CG 4.36Å
592	E	97.3	Very high	96	Very high	82 Å²	82	33.3 Å²	33.3	38%	0.383	18%	0.18	S	C	.	.	H	α-helix	trans	-58.1	-49.8	173	-179.6	173.1	-153	0	0	111.5	L588 T589 F594 V595 I596 I623	L588-E592 WeakPolarHBondContact O-CB 3.2Å; L588-E592 PolarHBondContact O-N 3.47Å; T589-E592 PolarHBondContact O-N 2.94Å; E592-F594 VanDerWaalsContact C-N 3.33Å; E592-F594 PolarHBondContact O-N 3.47Å; E592-V595 PolarHBondContact O-N 2.93Å; E592-I596 HydrophobicContact CG-CD1 4.01Å; E592-I596 WeakPolarHBondContact O-CG1 3.43Å; E592-I596 PolarHBondContact O-N 3.42Å; E592-I623 HydrophobicContact CB-CD1 4.48Å; E592-I623 HydrophobicContact CB-CG2 3.8Å; E592-I623 HydrophobicContact CG-CG2 4.13Å
593	K	97.4	Very high	96	Very high	62 Å²	62	35.7 Å²	35.7	27%	0.27	19%	0.192	S	C	.	.	H	α-helix	trans	-60.6	-42.4	176.4	-175.2	53.1	170.4	154.6	0	112.2	D427 L430 F432 T589 I590 V595 I596 N597	D427-K593 WeakPolarHBondContact OD2-CE 3.49Å; L430-K593 HydrophobicContact CD1-CB 3.66Å; L430-K593 HydrophobicContact CD1-CG 3.94Å; F432-K593 HydrophobicContact CE1-CB 4.23Å; F432-K593 HydrophobicContact CE1-CG 4.01Å; F432-K593 HydrophobicContact CZ-CB 4.49Å; F432-K593 HydrophobicContact CZ-CG 4.28Å; T589-K593 PolarHBondContact O-N 2.99Å; I590-K593 PolarHBondContact O-N 3.3Å; K593-V595 PolarHBondContact O-N 2.95Å; K593-I596 PolarHBondContact O-N 2.97Å; K593-N597 VanDerWaalsContact CE-OD1 3.29Å; K593-N597 WeakPolarHBondContact CE-OD1 3.29Å; K593-N597 PolarHBondContact NZ-OD1 2.73Å; K593-N597 WeakPolarHBondContact O-CB 3.16Å; K593-N597 PolarHBondContact O-N 3.23Å; K593-N597 PolarHBondContact O-ND2 3.02Å; K593-N597 PolarHBondContact O-OD1 3.44Å
594	F	97.4	Very high	96	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175.8	175.4	-126.1	0	0	0	112.1	L372 I424 D425 F432 V434 I590 F591 E592 N597 L598 M606 V610	L372-F594 HydrophobicContact CD2-CE1 4.4Å; I424-F594 HydrophobicContact CG2-CE2 3.91Å; I424-F594 HydrophobicContact CG2-CZ 4.12Å; D425-F594 HydrophobicContact CB-CD2 3.69Å; D425-F594 HydrophobicContact CB-CE2 3.79Å; F432-F594 HydrophobicContact CE2-CB 4.13Å; F432-F594 HydrophobicContact CE2-CD2 4.44Å; F432-F594 HydrophobicContact CZ-CB 4.19Å; V434-F594 HydrophobicContact CB-CE2 4.33Å; V434-F594 HydrophobicContact CG1-CE2 4.43Å; V434-F594 HydrophobicContact CG1-CZ 4.3Å; V434-F594 HydrophobicContact CG2-CD2 4.06Å; V434-F594 HydrophobicContact CG2-CE2 3.93Å; V434-F594 HydrophobicContact CG2-CZ 4.32Å; I590-F594 WeakPolarHBondContact O-CB 3.31Å; I590-F594 PolarHBondContact O-N 2.97Å; F591-F594 HydrophobicContact CD2-CD1 4.47Å; F591-F594 PolarHBondContact O-N 2.95Å; E592-F594 VanDerWaalsContact C-N 3.33Å; E592-F594 PolarHBondContact O-N 3.47Å; F594-N597 PolarHBondContact O-N 3.19Å; F594-L598 HydrophobicContact CD1-CD1 4.36Å; F594-L598 HydrophobicContact CD2-CD1 4.44Å; F594-L598 HydrophobicContact CD2-CG 4.27Å; F594-L598 HydrophobicContact CE1-CD1 3.86Å; F594-L598 HydrophobicContact CE2-CD1 3.94Å; F594-L598 HydrophobicContact CE2-CD2 4.04Å; F594-L598 HydrophobicContact CE2-CG 3.92Å; F594-L598 HydrophobicContact CZ-CD1 3.63Å; F594-L598 HydrophobicContact CZ-CD2 4.33Å; F594-L598 HydrophobicContact CZ-CG 4.14Å; F594-L598 WeakPolarHBondContact O-CG 3.22Å; F594-L598 PolarHBondContact O-N 3.37Å; F594-M606 HydrophobicContact CZ-CE 4Å; F594-V610 HydrophobicContact CE1-CG2 3.74Å; F594-V610 HydrophobicContact CZ-CG2 4.34Å
595	V	96.9	Very high	95.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-42.8	177	169	0	0	0	0	111.5	F591 E592 K593 L598 K599 L607 V610 L624	F591-V595 HydrophobicContact CD1-CG2 4.15Å; F591-V595 HydrophobicContact CE1-CG2 3.74Å; F591-V595 HydrophobicContact CE2-CG2 4.24Å; F591-V595 HydrophobicContact CZ-CG2 3.8Å; F591-V595 WeakPolarHBondContact O-CG2 3.24Å; F591-V595 PolarHBondContact O-N 3.08Å; E592-V595 PolarHBondContact O-N 2.93Å; K593-V595 PolarHBondContact O-N 2.95Å; V595-L598 PolarHBondContact O-N 3.43Å; V595-K599 HydrophobicContact CG1-CD 4.31Å; V595-K599 WeakPolarHBondContact O-CG 3.41Å; V595-K599 PolarHBondContact O-N 2.88Å; V595-L607 HydrophobicContact CG1-CD1 4.18Å; V595-V610 HydrophobicContact CG2-CG1 4.43Å; V595-L624 HydrophobicContact CG1-CD2 4.05Å; V595-L624 HydrophobicContact CG2-CD2 3.79Å
596	I	96.4	Very high	95.8	Very high	49 Å²	49	45.4 Å²	45.4	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-50.6	175.4	-70	165.9	0	0	0	110	E592 K593 L598 K599 E600	E592-I596 HydrophobicContact CG-CD1 4.01Å; E592-I596 WeakPolarHBondContact O-CG1 3.43Å; E592-I596 PolarHBondContact O-N 3.42Å; K593-I596 PolarHBondContact O-N 2.97Å; I596-L598 VanDerWaalsContact C-N 3.27Å; I596-L598 PolarHBondContact O-N 3.36Å; I596-K599 WeakPolarHBondContact O-CB 3.33Å; I596-K599 PolarHBondContact O-N 3.44Å; I596-K599 VanDerWaalsContact O-N 3.08Å; I596-E600 HydrophobicContact CG2-CG 4.24Å; I596-E600 VanDerWaalsContact CG2-OE1 3.31Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.44Å; I596-E600 WeakPolarHBondContact O-CG 3.35Å; I596-E600 PolarHBondContact O-N 3.46Å
597	N	95.5	Very high	95.7	Very high	18 Å²	18	45.5 Å²	45.5	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-35.8	179.3	-67.1	-8.4	0	0	0	112.1	D425 K593 F594 S601	D425-N597 WeakPolarHBondContact OD2-CB 3.24Å; D425-N597 PolarHBondContact OD2-ND2 2.76Å; K593-N597 VanDerWaalsContact CE-OD1 3.29Å; K593-N597 WeakPolarHBondContact CE-OD1 3.29Å; K593-N597 PolarHBondContact NZ-OD1 2.73Å; K593-N597 WeakPolarHBondContact O-CB 3.16Å; K593-N597 PolarHBondContact O-N 3.23Å; K593-N597 PolarHBondContact O-ND2 3.02Å; K593-N597 PolarHBondContact O-OD1 3.44Å; F594-N597 PolarHBondContact O-N 3.19Å; N597-S601 VanDerWaalsContact O-CB 3.28Å; N597-S601 WeakPolarHBondContact O-CB 3.38Å; N597-S601 PolarHBondContact O-N 2.77Å; N597-S601 PolarHBondContact O-OG 3.2Å
598	L	95.3	Very high	95.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-43.2	174.5	-72.7	179.4	0	0	0	112.1	I424 F594 V595 I596 S601 G602 N603 M606 V610	I424-L598 HydrophobicContact CG2-CD2 4.3Å; F594-L598 HydrophobicContact CD1-CD1 4.36Å; F594-L598 HydrophobicContact CD2-CD1 4.44Å; F594-L598 HydrophobicContact CD2-CG 4.27Å; F594-L598 HydrophobicContact CE1-CD1 3.86Å; F594-L598 HydrophobicContact CE2-CD1 3.94Å; F594-L598 HydrophobicContact CE2-CD2 4.04Å; F594-L598 HydrophobicContact CE2-CG 3.92Å; F594-L598 HydrophobicContact CZ-CD1 3.63Å; F594-L598 HydrophobicContact CZ-CD2 4.33Å; F594-L598 HydrophobicContact CZ-CG 4.14Å; F594-L598 WeakPolarHBondContact O-CG 3.22Å; F594-L598 PolarHBondContact O-N 3.37Å; V595-L598 PolarHBondContact O-N 3.43Å; I596-L598 VanDerWaalsContact C-N 3.27Å; I596-L598 PolarHBondContact O-N 3.36Å; L598-S601 PolarHBondContact O-N 3.29Å; L598-S601 PolarHBondContact O-OG 3.11Å; L598-S601 VanDerWaalsContact O-OG 3.05Å; L598-G602 PolarHBondContact O-N 3.28Å; L598-N603 HydrophobicContact CD2-CB 4.03Å; L598-N603 PolarHBondContact O-N 2.79Å; L598-M606 HydrophobicContact CD1-CB 4.4Å; L598-M606 HydrophobicContact CD1-CG 3.95Å; L598-M606 HydrophobicContact CD2-CB 3.98Å; L598-M606 HydrophobicContact CD2-CG 3.83Å; L598-V610 HydrophobicContact CD1-CG2 4.02Å
599	K	94.5	Very high	95.5	Very high	55 Å²	55	51.8 Å²	51.8	24%	0.239	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-49.8	176.3	-70.7	174.8	178.6	-179	0	111.2	V595 I596 S601 G602 L607 V626 T628	V595-K599 HydrophobicContact CG1-CD 4.31Å; V595-K599 WeakPolarHBondContact O-CG 3.41Å; V595-K599 PolarHBondContact O-N 2.88Å; I596-K599 WeakPolarHBondContact O-CB 3.33Å; I596-K599 PolarHBondContact O-N 3.44Å; I596-K599 VanDerWaalsContact O-N 3.08Å; K599-S601 VanDerWaalsContact C-N 3.27Å; K599-S601 PolarHBondContact O-N 3.39Å; K599-G602 PolarHBondContact O-N 2.76Å; K599-L607 HydrophobicContact CG-CD2 4Å; K599-V626 PolarHBondContact NZ-O 2.96Å; K599-T628 HydrophobicContact CD-CG2 4.49Å
600	E	94.4	Very high	95.4	Very high	137 Å²	137	48.8 Å²	48.8	64%	0.64	25%	0.253	S	S	*	.	H	α-helix	trans	-61.3	-35	179.1	-70.7	174.7	174.4	0	0	112.6	I596 G602	I596-E600 HydrophobicContact CG2-CG 4.24Å; I596-E600 VanDerWaalsContact CG2-OE1 3.31Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.44Å; I596-E600 WeakPolarHBondContact O-CG 3.35Å; I596-E600 PolarHBondContact O-N 3.46Å; E600-G602 VanDerWaalsContact C-N 3.31Å; E600-G602 PolarHBondContact O-N 3.18Å
601	S	92.4	Very high	95.3	Very high	67 Å²	67	52.8 Å²	52.8	47%	0.469	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.3	177.3	68.3	0	0	0	0	114.6	N597 L598 K599 N603	N597-S601 VanDerWaalsContact O-CB 3.28Å; N597-S601 WeakPolarHBondContact O-CB 3.38Å; N597-S601 PolarHBondContact O-N 2.77Å; N597-S601 PolarHBondContact O-OG 3.2Å; L598-S601 PolarHBondContact O-N 3.29Å; L598-S601 PolarHBondContact O-OG 3.11Å; L598-S601 VanDerWaalsContact O-OG 3.05Å; K599-S601 VanDerWaalsContact C-N 3.27Å; K599-S601 PolarHBondContact O-N 3.39Å; S601-N603 VanDerWaalsContact C-N 3.26Å; S601-N603 PolarHBondContact O-N 3.42Å
602	G	92.5	Very high	95.1	Very high	46 Å²	46	58.5 Å²	58.5	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	25.6	-175	0	0	0	0	0	113.9	L598 K599 E600 D604	L598-G602 PolarHBondContact O-N 3.28Å; K599-G602 PolarHBondContact O-N 2.76Å; E600-G602 VanDerWaalsContact C-N 3.31Å; E600-G602 PolarHBondContact O-N 3.18Å; G602-D604 PolarHBondContact O-N 2.87Å
603	N	93.3	Very high	94.9	Very high	54 Å²	54	56 Å²	56	29%	0.289	29%	0.29	S	S	.	.			trans	-84.8	63.4	-178.9	-167.2	-14	0	0	0	111.5	L598 S601 Q605 M606 L607	L598-N603 HydrophobicContact CD2-CB 4.03Å; L598-N603 PolarHBondContact O-N 2.79Å; S601-N603 VanDerWaalsContact C-N 3.26Å; S601-N603 PolarHBondContact O-N 3.42Å; N603-Q605 PolarHBondContact O-N 3.41Å; N603-M606 HydrophobicContact CB-CB 4.49Å; N603-M606 PolarHBondContact O-N 2.86Å; N603-M606 VanDerWaalsContact O-N 3.14Å; N603-M606 VanDerWaalsContact OD1-CB 3.28Å; N603-M606 WeakPolarHBondContact OD1-CB 3.14Å; N603-M606 PolarHBondContact OD1-N 2.75Å; N603-L607 PolarHBondContact O-N 3.47Å
604	D	93.8	Very high	94.7	Very high	114 Å²	114	53.1 Å²	53.1	61%	0.61	28%	0.278	S	S	*	.	H	α-helix	trans	-59.8	-34.4	-174.6	-64.3	-30.7	0	0	0	112.6	G602 M606 L607 E608	G602-D604 PolarHBondContact O-N 2.87Å; D604-M606 PolarHBondContact O-N 3.44Å; D604-L607 PolarHBondContact O-N 3.46Å; D604-E608 PolarHBondContact O-N 2.93Å
605	Q	94.9	Very high	94.2	Very high	146 Å²	146	56.8 Å²	56.8	68%	0.682	30%	0.301	S	S	*	.	H	α-helix	trans	-62.5	-43.2	178	-171.5	-173.8	25.9	0	0	111.9	N603 K609	N603-Q605 PolarHBondContact O-N 3.41Å; Q605-K609 PolarHBondContact O-N 2.66Å
606	M	95.3	Very high	93.8	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-72.9	-38.6	177.5	-173	60.4	-179.4	0	0	111	F373 F376 I424 F594 L598 N603 D604 E608 K609 V610	F373-M606 HydrophobicContact CE1-CE 4.06Å; F373-M606 HydrophobicContact CE2-CE 4.12Å; F373-M606 HydrophobicContact CZ-CE 3.33Å; F373-M606 HydrophobicContact CZ-SD 4.27Å; F376-M606 HydrophobicContact CD1-CE 3.57Å; F376-M606 HydrophobicContact CD1-SD 4.45Å; F376-M606 HydrophobicContact CD2-CE 3.77Å; F376-M606 HydrophobicContact CE1-CE 3.52Å; F376-M606 HydrophobicContact CE1-SD 3.78Å; F376-M606 HydrophobicContact CE2-CE 3.73Å; F376-M606 HydrophobicContact CE2-SD 3.91Å; F376-M606 HydrophobicContact CG-CE 3.69Å; F376-M606 HydrophobicContact CZ-CE 3.59Å; F376-M606 HydrophobicContact CZ-SD 3.47Å; F376-M606 WeakPolarHBondContact CZ-SD 3.42Å; I424-M606 HydrophobicContact CG2-CE 4.03Å; I424-M606 HydrophobicContact CG2-CG 3.95Å; I424-M606 HydrophobicContact CG2-SD 4.43Å; F594-M606 HydrophobicContact CZ-CE 4Å; L598-M606 HydrophobicContact CD1-CB 4.4Å; L598-M606 HydrophobicContact CD1-CG 3.95Å; L598-M606 HydrophobicContact CD2-CB 3.98Å; L598-M606 HydrophobicContact CD2-CG 3.83Å; N603-M606 HydrophobicContact CB-CB 4.49Å; N603-M606 PolarHBondContact O-N 2.86Å; N603-M606 VanDerWaalsContact O-N 3.14Å; N603-M606 VanDerWaalsContact OD1-CB 3.28Å; N603-M606 WeakPolarHBondContact OD1-CB 3.14Å; N603-M606 PolarHBondContact OD1-N 2.75Å; D604-M606 PolarHBondContact O-N 3.44Å; M606-E608 VanDerWaalsContact C-N 3.27Å; M606-E608 PolarHBondContact O-N 2.96Å; M606-K609 PolarHBondContact O-N 3.46Å; M606-K609 HydrophobicContact SD-CD 4.46Å; M606-V610 HydrophobicContact CE-CG2 4.37Å; M606-V610 WeakPolarHBondContact O-CG2 3.3Å; M606-V610 PolarHBondContact O-N 3.29Å
607	L	95.3	Very high	93.7	Very high	13 Å²	13	62.4 Å²	62.4	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-40	176.8	-176	61.1	0	0	0	111.7	V595 K599 N603 D604 V610 K611 L624	V595-L607 HydrophobicContact CG1-CD1 4.18Å; K599-L607 HydrophobicContact CG-CD2 4Å; N603-L607 PolarHBondContact O-N 3.47Å; D604-L607 PolarHBondContact O-N 3.46Å; L607-V610 WeakPolarHBondContact O-CB 3.23Å; L607-V610 PolarHBondContact O-N 3Å; L607-K611 WeakPolarHBondContact O-CG 3.17Å; L607-K611 PolarHBondContact O-N 3.47Å; L607-L624 HydrophobicContact CD1-CD2 4.2Å
608	E	95.4	Very high	93.6	Very high	92 Å²	92	66.8 Å²	66.8	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-43.4	177.3	-161.6	58.6	-154.9	0	0	112.4	D604 M606 V610 K611 E612	D604-E608 PolarHBondContact O-N 2.93Å; M606-E608 VanDerWaalsContact C-N 3.27Å; M606-E608 PolarHBondContact O-N 2.96Å; E608-V610 VanDerWaalsContact C-N 3.27Å; E608-V610 PolarHBondContact O-N 3.02Å; E608-K611 WeakPolarHBondContact O-CB 3.47Å; E608-K611 PolarHBondContact O-N 2.79Å; E608-K611 VanDerWaalsContact O-N 3.13Å; E608-K611 WeakPolarHBondContact OE2-CD 3.11Å; E608-K611 IonicContact OE2-NZ 2.75Å; E608-K611 PolarHBondContact OE2-NZ 3.29Å; E608-E612 WeakPolarHBondContact O-CG 3.4Å; E608-E612 PolarHBondContact O-N 3.34Å
609	K	95.7	Very high	93.6	Very high	69 Å²	69	71.2 Å²	71.2	30%	0.3	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-37.9	173.6	-67.6	-179.7	178.4	-176.7	0	112.6	F373 F376 Q605 M606 A613	F373-K609 HydrophobicContact CE2-CB 3.97Å; F376-K609 HydrophobicContact CE2-CD 4.4Å; Q605-K609 PolarHBondContact O-N 2.66Å; M606-K609 PolarHBondContact O-N 3.46Å; M606-K609 HydrophobicContact SD-CD 4.46Å; K609-A613 WeakPolarHBondContact O-CB 3.34Å; K609-A613 PolarHBondContact O-N 2.79Å
610	V	94.9	Very high	93.7	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-44	176	171.6	0	0	0	0	110.5	F373 F591 F594 V595 L598 M606 L607 E608 A613 A614 L624	F373-V610 HydrophobicContact CE1-CG2 3.83Å; F373-V610 HydrophobicContact CZ-CB 4.5Å; F373-V610 HydrophobicContact CZ-CG2 3.58Å; F591-V610 HydrophobicContact CE2-CG1 3.55Å; F591-V610 HydrophobicContact CZ-CG1 3.49Å; F591-V610 VanDerWaalsContact CZ-CG1 3.49Å; F594-V610 HydrophobicContact CE1-CG2 3.74Å; F594-V610 HydrophobicContact CZ-CG2 4.34Å; V595-V610 HydrophobicContact CG2-CG1 4.43Å; L598-V610 HydrophobicContact CD1-CG2 4.02Å; M606-V610 HydrophobicContact CE-CG2 4.37Å; M606-V610 WeakPolarHBondContact O-CG2 3.3Å; M606-V610 PolarHBondContact O-N 3.29Å; L607-V610 WeakPolarHBondContact O-CB 3.23Å; L607-V610 PolarHBondContact O-N 3Å; E608-V610 VanDerWaalsContact C-N 3.27Å; E608-V610 PolarHBondContact O-N 3.02Å; V610-A613 PolarHBondContact O-N 3.15Å; V610-A614 WeakPolarHBondContact O-CB 3.42Å; V610-A614 PolarHBondContact O-N 3.42Å; V610-L624 HydrophobicContact CG1-CD2 4.2Å
611	K	94.1	Very high	93.7	Very high	86 Å²	86	65.1 Å²	65.1	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-59.5	-47.2	176.4	-71.3	171.5	-170.3	163.6	0	111.4	L607 E608 A613 A614 T615 L624	L607-K611 WeakPolarHBondContact O-CG 3.17Å; L607-K611 PolarHBondContact O-N 3.47Å; E608-K611 WeakPolarHBondContact O-CB 3.47Å; E608-K611 PolarHBondContact O-N 2.79Å; E608-K611 VanDerWaalsContact O-N 3.13Å; E608-K611 WeakPolarHBondContact OE2-CD 3.11Å; E608-K611 IonicContact OE2-NZ 2.75Å; E608-K611 PolarHBondContact OE2-NZ 3.29Å; K611-A613 PolarHBondContact O-N 3.37Å; K611-A614 PolarHBondContact O-N 3.3Å; K611-T615 WeakPolarHBondContact O-CG2 3.49Å; K611-T615 PolarHBondContact O-N 2.8Å; K611-L624 HydrophobicContact CG-CD1 4.17Å; K611-L624 HydrophobicContact CG-CD2 4.09Å
612	E	93.9	Very high	93.7	Very high	124 Å²	124	68.3 Å²	68.3	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-57.2	-47.9	176.6	-71.5	177	176.3	0	0	111.6	E608 A614 T615	E608-E612 WeakPolarHBondContact O-CG 3.4Å; E608-E612 PolarHBondContact O-N 3.34Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 3.15Å; E612-T615 WeakPolarHBondContact O-CB 3.37Å; E612-T615 VanDerWaalsContact O-CG2 3.3Å; E612-T615 WeakPolarHBondContact O-CG2 3.46Å; E612-T615 PolarHBondContact O-N 2.97Å; E612-T615 PolarHBondContact O-OG1 2.9Å
613	A	93.5	Very high	93.8	Very high	30 Å²	30	67.2 Å²	67.2	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-69.6	-22.5	-179.6	0	0	0	0	0	113.8	F373 L460 K609 V610 K611	F373-A613 HydrophobicContact CB-CB 3.81Å; F373-A613 HydrophobicContact CD1-CB 4.27Å; F373-A613 HydrophobicContact CD2-CB 3.89Å; F373-A613 HydrophobicContact CG-CB 3.74Å; L460-A613 HydrophobicContact CD2-CB 3.75Å; K609-A613 WeakPolarHBondContact O-CB 3.34Å; K609-A613 PolarHBondContact O-N 2.79Å; V610-A613 PolarHBondContact O-N 3.15Å; K611-A613 PolarHBondContact O-N 3.37Å
614	A	93.3	Very high	93.7	Very high	1 Å²	1	66 Å²	66	1%	0.008	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.8	-179.8	0	0	0	0	0	114.1	L460 V610 K611 E612 E616 N617 L620 L624	L460-A614 HydrophobicContact CD2-CB 4.46Å; V610-A614 WeakPolarHBondContact O-CB 3.42Å; V610-A614 PolarHBondContact O-N 3.42Å; K611-A614 PolarHBondContact O-N 3.3Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 3.15Å; A614-E616 PolarHBondContact O-N 3.29Å; A614-E616 VanDerWaalsContact O-N 3.08Å; A614-N617 PolarHBondContact O-N 3Å; A614-L620 HydrophobicContact CB-CB 3.75Å; A614-L620 HydrophobicContact CB-CD1 3.91Å; A614-L624 HydrophobicContact CB-CD1 3.68Å
615	T	87.9	Confident	93.3	Very high	81 Å²	81	67.7 Å²	67.7	50%	0.497	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.7	-172.2	46.3	0	0	0	0	115.6	K611 E612 K621	K611-T615 WeakPolarHBondContact O-CG2 3.49Å; K611-T615 PolarHBondContact O-N 2.8Å; E612-T615 WeakPolarHBondContact O-CB 3.37Å; E612-T615 VanDerWaalsContact O-CG2 3.3Å; E612-T615 WeakPolarHBondContact O-CG2 3.46Å; E612-T615 PolarHBondContact O-N 2.97Å; E612-T615 PolarHBondContact O-OG1 2.9Å; T615-K621 WeakPolarHBondContact O-CE 3.17Å; T615-K621 PolarHBondContact O-NZ 2.82Å
616	E	87.7	Confident	92.3	Very high	156 Å²	156	64.7 Å²	64.7	73%	0.729	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-4.2	-179.8	-62.1	-170.1	168.5	0	0	113.4	A614	A614-E616 PolarHBondContact O-N 3.29Å; A614-E616 VanDerWaalsContact O-N 3.08Å
617	N	94.2	Very high	90.6	Very high	12 Å²	12	72.4 Å²	72.4	6%	0.064	35%	0.348	C	S	.	.			trans	-111.8	109.1	-175.7	-168.8	-52.4	0	0	0	112.3	D461 F463 A614 Y619 L620 K621	D461-N617 PolarHBondContact O-ND2 2.83Å; F463-N617 PolarHBondContact O-ND2 3.07Å; A614-N617 PolarHBondContact O-N 3Å; N617-Y619 VanDerWaalsContact C-N 3.27Å; N617-Y619 PolarHBondContact O-N 2.96Å; N617-Y619 WeakPolarHBondContact OD1-CB 3.4Å; N617-Y619 PolarHBondContact OD1-N 2.99Å; N617-L620 HydrophobicContact CB-CB 4.2Å; N617-L620 HydrophobicContact CB-CD1 3.9Å; N617-L620 HydrophobicContact CB-CG 3.88Å; N617-L620 PolarHBondContact O-N 3.3Å; N617-L620 VanDerWaalsContact O-N 3.17Å; N617-L620 PolarHBondContact OD1-N 3.5Å; N617-K621 WeakPolarHBondContact O-CG 3.46Å; N617-K621 PolarHBondContact O-N 3.04Å
618	E	94	Very high	88.8	Confident	110 Å²	110	75.3 Å²	75.3	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-28.2	-178	-65	-56.2	128.2	0	0	114.3	K621 K622	E618-K621 IonicContact OE1-NZ 2.85Å; E618-K621 PolarHBondContact OE1-NZ 2.94Å; E618-K622 WeakPolarHBondContact O-CG 2.88Å; E618-K622 PolarHBondContact O-N 3.4Å
619	Y	94.9	Very high	86.3	Confident	94 Å²	94	79.6 Å²	79.6	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-43.1	176.1	-59.5	-74.8	0	0	0	111	P465 L588 N617 K622 I623	P465-Y619 HydrophobicContact CG-CE1 4.26Å; L588-Y619 HydrophobicContact CD1-CD1 4.38Å; L588-Y619 HydrophobicContact CD1-CG 4.26Å; N617-Y619 VanDerWaalsContact C-N 3.27Å; N617-Y619 PolarHBondContact O-N 2.96Å; N617-Y619 WeakPolarHBondContact OD1-CB 3.4Å; N617-Y619 PolarHBondContact OD1-N 2.99Å; Y619-K622 PolarHBondContact O-N 3.36Å; Y619-I623 PolarHBondContact O-N 3.35Å
620	L	96	Very high	83.6	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-68.7	-38	179.8	-56.6	-174.5	0	0	0	111.8	L460 F463 L588 F591 A614 N617 K622 I623 L624	L460-L620 HydrophobicContact CD1-CD1 3.68Å; L460-L620 HydrophobicContact CD2-CD1 4.3Å; L460-L620 HydrophobicContact CG-CD1 3.58Å; L460-L620 WeakPolarHBondContact O-CD1 3.42Å; F463-L620 HydrophobicContact CB-CD1 4.43Å; F463-L620 HydrophobicContact CB-CD2 3.95Å; F463-L620 HydrophobicContact CB-CG 4.42Å; F463-L620 HydrophobicContact CD2-CD2 3.93Å; F463-L620 HydrophobicContact CG-CD2 4.33Å; L588-L620 HydrophobicContact CD2-CD2 3.68Å; F591-L620 HydrophobicContact CB-CD2 4.39Å; F591-L620 HydrophobicContact CD1-CB 4.49Å; F591-L620 HydrophobicContact CD1-CD2 3.49Å; F591-L620 VanDerWaalsContact CD1-CD2 3.49Å; F591-L620 HydrophobicContact CD1-CG 4.5Å; F591-L620 HydrophobicContact CD2-CD2 4.29Å; F591-L620 HydrophobicContact CE1-CB 3.87Å; F591-L620 HydrophobicContact CE1-CD2 3.7Å; F591-L620 HydrophobicContact CE1-CG 4.25Å; F591-L620 HydrophobicContact CE2-CD2 4.47Å; F591-L620 HydrophobicContact CG-CD2 3.79Å; F591-L620 HydrophobicContact CZ-CB 4.2Å; F591-L620 HydrophobicContact CZ-CD1 4.39Å; F591-L620 HydrophobicContact CZ-CD2 4.19Å; F591-L620 HydrophobicContact CZ-CG 4.49Å; A614-L620 HydrophobicContact CB-CB 3.75Å; A614-L620 HydrophobicContact CB-CD1 3.91Å; N617-L620 HydrophobicContact CB-CB 4.2Å; N617-L620 HydrophobicContact CB-CD1 3.9Å; N617-L620 HydrophobicContact CB-CG 3.88Å; N617-L620 PolarHBondContact O-N 3.3Å; N617-L620 VanDerWaalsContact O-N 3.17Å; N617-L620 PolarHBondContact OD1-N 3.5Å; L620-K622 VanDerWaalsContact C-N 3.3Å; L620-K622 PolarHBondContact O-N 3.09Å; L620-I623 PolarHBondContact O-N 3.21Å; L620-L624 WeakPolarHBondContact O-CG 3.34Å; L620-L624 PolarHBondContact O-N 3.29Å
621	K	94.5	Very high	81	Confident	64 Å²	64	94.1 Å²	94.1	28%	0.278	46%	0.457	S	S	.	.	H	α-helix	trans	-55.6	-44.9	173.4	-74.2	179.5	-173.9	166.8	0	112.4	T615 N617 E618 I623 L624 Q625	T615-K621 WeakPolarHBondContact O-CE 3.17Å; T615-K621 PolarHBondContact O-NZ 2.82Å; N617-K621 WeakPolarHBondContact O-CG 3.46Å; N617-K621 PolarHBondContact O-N 3.04Å; E618-K621 IonicContact OE1-NZ 2.85Å; E618-K621 PolarHBondContact OE1-NZ 2.94Å; K621-I623 VanDerWaalsContact C-N 3.33Å; K621-I623 PolarHBondContact O-N 3.17Å; K621-L624 PolarHBondContact O-N 2.94Å; K621-Q625 WeakPolarHBondContact O-CG 3.42Å; K621-Q625 PolarHBondContact O-N 2.89Å; K621-Q625 VanDerWaalsContact O-N 3.15Å
622	K	93.6	Very high	78.2	Confident	134 Å²	134	100.9 Å²	100.9	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-60.5	-44.4	178.5	-72.5	174.1	-177.6	-176.9	0	111.4	E618 Y619 L620 L624 Q625 V626	E618-K622 WeakPolarHBondContact O-CG 2.88Å; E618-K622 PolarHBondContact O-N 3.4Å; Y619-K622 PolarHBondContact O-N 3.36Å; L620-K622 VanDerWaalsContact C-N 3.3Å; L620-K622 PolarHBondContact O-N 3.09Å; K622-L624 VanDerWaalsContact C-N 3.34Å; K622-L624 PolarHBondContact O-N 2.84Å; K622-Q625 PolarHBondContact O-N 2.89Å; K622-V626 WeakPolarHBondContact O-CG2 3.5Å
623	I	93.7	Very high	77.4	Confident	24 Å²	24	99.7 Å²	99.7	12%	0.123	49%	0.494	C	S	.	.	H	α-helix	trans	-62.5	-42.1	177.5	-66	168.2	0	0	0	111.1	L588 F591 E592 Y619 L620 K621 Q625 V626	L588-I623 HydrophobicContact CB-CD1 4.16Å; L588-I623 HydrophobicContact CD2-CD1 4.14Å; F591-I623 HydrophobicContact CD1-CB 4.19Å; F591-I623 HydrophobicContact CD1-CD1 3.91Å; F591-I623 HydrophobicContact CD1-CG2 3.85Å; F591-I623 HydrophobicContact CE1-CB 4.29Å; F591-I623 HydrophobicContact CE1-CG2 4.1Å; E592-I623 HydrophobicContact CB-CD1 4.48Å; E592-I623 HydrophobicContact CB-CG2 3.8Å; E592-I623 HydrophobicContact CG-CG2 4.13Å; Y619-I623 PolarHBondContact O-N 3.35Å; L620-I623 PolarHBondContact O-N 3.21Å; K621-I623 VanDerWaalsContact C-N 3.33Å; K621-I623 PolarHBondContact O-N 3.17Å; I623-Q625 VanDerWaalsContact C-N 3.26Å; I623-Q625 PolarHBondContact O-N 3.43Å; I623-V626 PolarHBondContact O-N 3.15Å
624	L	91.2	Very high	76.5	Confident	27 Å²	27	103.4 Å²	103.4	14%	0.141	51%	0.506	C	S	.	.	H	α-helix	trans	-65.6	-27.4	-179.8	-72.7	164.6	0	0	0	113.5	F591 V595 L607 V610 K611 A614 L620 K621 K622	F591-L624 HydrophobicContact CE1-CG 4.24Å; F591-L624 HydrophobicContact CZ-CD1 4.47Å; F591-L624 HydrophobicContact CZ-CD2 4.4Å; F591-L624 HydrophobicContact CZ-CG 4.36Å; V595-L624 HydrophobicContact CG1-CD2 4.05Å; V595-L624 HydrophobicContact CG2-CD2 3.79Å; L607-L624 HydrophobicContact CD1-CD2 4.2Å; V610-L624 HydrophobicContact CG1-CD2 4.2Å; K611-L624 HydrophobicContact CG-CD1 4.17Å; K611-L624 HydrophobicContact CG-CD2 4.09Å; A614-L624 HydrophobicContact CB-CD1 3.68Å; L620-L624 WeakPolarHBondContact O-CG 3.34Å; L620-L624 PolarHBondContact O-N 3.29Å; K621-L624 PolarHBondContact O-N 2.94Å; K622-L624 VanDerWaalsContact C-N 3.34Å; K622-L624 PolarHBondContact O-N 2.84Å
625	Q	84.6	Confident	75.6	Confident	151 Å²	151	109.1 Å²	109.1	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-80	-14.9	179.3	-72.1	171.1	11.5	0	0	114.2	K621 K622 I623 E627	K621-Q625 WeakPolarHBondContact O-CG 3.42Å; K621-Q625 PolarHBondContact O-N 2.89Å; K621-Q625 VanDerWaalsContact O-N 3.15Å; K622-Q625 PolarHBondContact O-N 2.89Å; I623-Q625 VanDerWaalsContact C-N 3.26Å; I623-Q625 PolarHBondContact O-N 3.43Å; Q625-E627 PolarHBondContact O-N 2.9Å
626	V	74.6	Confident	74.9	Confident	83 Å²	83	110.7 Å²	110.7	50%	0.503	54%	0.536	S	S	.	.			trans	-73	110.3	178.3	-176.4	0	0	0	0	108.8	K599 K622 I623	K599-V626 PolarHBondContact NZ-O 2.96Å; K622-V626 WeakPolarHBondContact O-CG2 3.5Å; I623-V626 PolarHBondContact O-N 3.15Å
627	E	60.8	Low	74.1	Confident	169 Å²	169	107.9 Å²	107.9	79%	0.79	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-71.4	139.2	169.4	-71.9	178.7	171.6	0	0	109.6	Q625 M629	Q625-E627 PolarHBondContact O-N 2.9Å; E627-M629 PolarHBondContact O-N 3.31Å
628	T	55.4	Low	72.7	Confident	74 Å²	74	114.3 Å²	114.3	45%	0.454	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-64.8	116.5	172.8	36.4	0	0	0	0	107.7	K599 E630	K599-T628 HydrophobicContact CD-CG2 4.49Å; T628-E630 PolarHBondContact O-N 3.4Å
629	M	44.5	Very low	71.2	Confident	183 Å²	183	114.6 Å²	114.6	90%	0.901	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-62.7	119.1	169.9	-68.2	-162.8	179.3	0	0	107.8	E627 E631	E627-M629 PolarHBondContact O-N 3.31Å; M629-E631 PolarHBondContact O-N 3.33Å
630	E	38.8	Very low	69.4	Low	175 Å²	175	116.2 Å²	116.2	82%	0.818	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-63.4	118.6	167.6	-69	-178.9	156.3	0	0	107.3	T628 D632	T628-E630 PolarHBondContact O-N 3.4Å; E630-D632 PolarHBondContact O-N 3.26Å
631	E	40.5	Very low	67.2	Low	198 Å²	198	125.8 Å²	125.8	93%	0.925	62%	0.62	S	S	*	*			trans	-75.1	106.7	164.2	-74.8	-174.7	163.4	0	0	107.1	M629	M629-E631 PolarHBondContact O-N 3.33Å
632	D	34	Very low	64.7	Low	228 Å²	228	131.5 Å²	131.5	100%	1.219	65%	0.651	S	S	*	*			trans	-62.9	0	170.1	-84.5	-31.2	0	0	0	113.1	E630	E630-D632 PolarHBondContact O-N 3.26Å

Retrieved 632 of 632 residues in 581.8 ms (Link to these results)

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