A0A096MM05_PAPAN Loading...

Relaxin receptor 1

Receptor for relaxins. The activity of this receptor is mediated by G proteins leading to stimulation of adenylate cyclase and an increase of cAMP. Binding of the ligand may also activate a tyrosine kinase pathway that inhibits the activity of a phosphodiesterase that degrades cAMP.

AlphaFold DB , UniProt , Accession A0A096MM05, Species PAPAN (Papio anubis, Olive baboon), Gene RXFP1, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.9	Very low	29.9	Very low	241 Å²	241	177.5 Å²	177.5	100%	1.187	82%	0.819	S	S	*	*				0	138.7	0	-81.2	177.6	174.1	0	0	108.7
2	R	24.6	Very low	30.4	Very low	236 Å²	236	170.3 Å²	170.3	89%	0.891	80%	0.798	S	S	*	*			trans	45.7	106.6	161.6	-69.2	-177.9	173.7	170.7	-1.6	120
3	F	27.3	Very low	30.5	Very low	198 Å²	198	170.2 Å²	170.2	87%	0.868	79%	0.793	S	S	*	*				21	145.1	110.4	-70.8	-87.2	0	0	0	118.1
4	R	27.1	Very low	30.9	Very low	215 Å²	215	166.6 Å²	166.6	81%	0.811	78%	0.781	S	S	*	*			cis	-170.5	149	45.5	-144.7	-175.9	-169.9	175.4	2.9	110.7
5	N	33.4	Very low	30.9	Very low	112 Å²	112	162.5 Å²	162.5	60%	0.599	77%	0.766	S	S	*	*			trans	41.8	154.7	137.6	-67.7	29.9	0	0	0	121.8
6	Q	27	Very low	30.9	Very low	150 Å²	150	162.4 Å²	162.4	70%	0.701	77%	0.765	S	S	*	*			cis	-161.1	161.6	2.3	-128.5	161.8	-47.1	0	0	113.4	Q8	Q6-Q8 PolarHBondContact O-N 3.09Å
7	D	33	Very low	31	Very low	155 Å²	155	161.7 Å²	161.7	83%	0.829	77%	0.766	S	S	*	*			trans	-47.9	107	163.6	-45.2	-82	0	0	0	114.7
8	Q	31.1	Very low	31	Very low	167 Å²	167	160.6 Å²	160.6	78%	0.78	77%	0.765	S	S	*	*			trans	-149.9	15.9	172.2	-143.6	171.1	3.1	0	0	116.5	Q6	Q6-Q8 PolarHBondContact O-N 3.09Å
9	I	34.9	Very low	31	Very low	154 Å²	154	164.2 Å²	164.2	79%	0.79	77%	0.77	S	S	*	*	S	Bend	trans	-116.2	-25.3	-173.5	-61.2	-180	0	0	0	113.6
10	L	31.7	Very low	31	Very low	153 Å²	153	165 Å²	165	80%	0.801	77%	0.774	S	S	*	*	S	Bend	trans	-84.8	-19.7	-178	-148.4	71	0	0	0	114.3
11	F	31.1	Very low	30.9	Very low	171 Å²	171	166.5 Å²	166.5	75%	0.75	78%	0.778	S	S	*	*	S	Bend	trans	-84.5	-11.8	-176.9	-119.3	-87.4	0	0	0	114.5	N15	F11-N15 PolarHBondContact O-ND2 3.13Å; F11-N15 VanDerWaalsContact O-ND2 3.14Å
12	T	35.2	Very low	30.9	Very low	92 Å²	92	163.4 Å²	163.4	56%	0.564	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-24.1	-175.3	-31	0	0	0	0	112.5
13	F	32.6	Very low	31	Very low	168 Å²	168	160.2 Å²	160.2	74%	0.737	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.9	-173.9	-140.3	-98.7	0	0	0	114.1
14	I	35.5	Very low	31	Very low	121 Å²	121	156.5 Å²	156.5	62%	0.621	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-30.6	-179.5	-61.8	178	0	0	0	111.5	Q16	I14-Q16 VanDerWaalsContact C-N 3.26Å; I14-Q16 PolarHBondContact O-N 3.06Å
15	N	30.4	Very low	31.1	Very low	105 Å²	105	152.2 Å²	152.2	56%	0.561	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-6.9	179.8	-79.9	-53.7	0	0	0	114.7	F11	F11-N15 PolarHBondContact O-ND2 3.13Å; F11-N15 VanDerWaalsContact O-ND2 3.14Å
16	Q	32.3	Very low	30.9	Very low	160 Å²	160	149.7 Å²	149.7	75%	0.748	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-3.1	-178.2	-157.6	163.9	-2.1	0	0	113.7	I14	I14-Q16 VanDerWaalsContact C-N 3.26Å; I14-Q16 PolarHBondContact O-N 3.06Å
17	L	32.6	Very low	31.3	Very low	151 Å²	151	149 Å²	149	79%	0.791	76%	0.763	S	S	*	*	S	Bend	trans	-104.3	2	176	-95.2	159.1	0	0	0	114.1
18	L	30.1	Very low	31.3	Very low	141 Å²	141	147 Å²	147	74%	0.738	76%	0.757	S	S	*	*	S	Bend	trans	-119	29.4	-176.1	-76.4	169.7	0	0	0	113.8
19	R	30.5	Very low	31.5	Very low	229 Å²	229	146.8 Å²	146.8	86%	0.864	75%	0.753	S	S	*	*			trans	-139.4	72.6	168.7	-73.2	-166.4	-173.3	-158	2.3	112.5
20	E	30.7	Very low	31.3	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	75%	0.752	S	S	*	*	S	Bend	trans	-165.3	142.7	141.7	-116.9	175.8	-151.3	0	0	112.1
21	K	29.3	Very low	31.3	Very low	196 Å²	196	149.8 Å²	149.8	85%	0.852	75%	0.75	S	S	*	*			trans	78.8	97.2	170.9	-57.9	-178.3	-178.2	178.1	0	118.5
22	E	28.9	Very low	31.5	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.822	74%	0.743	S	S	*	*			trans	-81.1	155.2	152.8	-69.6	-178.5	118.2	0	0	112
23	M	26.1	Very low	31.4	Very low	169 Å²	169	149.5 Å²	149.5	83%	0.833	75%	0.751	S	S	*	*			trans	62.9	129.6	151.5	-76.5	-172.2	165.8	0	0	119.4
24	T	28.2	Very low	31.3	Very low	120 Å²	120	147 Å²	147	74%	0.736	74%	0.744	S	S	*	*			cis	-168.7	161.3	33.7	9.7	0	0	0	0	114.3
25	S	28.1	Very low	31.1	Very low	125 Å²	125	146 Å²	146	87%	0.874	74%	0.74	S	S	*	*			trans	83.7	141.2	153.3	81.7	0	0	0	0	121.4
26	G	29.3	Very low	31.1	Very low	59 Å²	59	144.3 Å²	144.3	61%	0.608	75%	0.747	S	S	*	*			trans	118.3	104.2	158.9	0	0	0	0	0	117.1	V28	G26-V28 PolarHBondContact O-N 3.23Å
27	P	36.5	Very low	31.1	Very low	136 Å²	136	146 Å²	146	88%	0.883	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	70.3	-174.9	36.2	-36.5	0	0	0	113.2
28	V	33.2	Very low	30.9	Very low	114 Å²	114	148.3 Å²	148.3	69%	0.691	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-22.4	173.7	-172.4	0	0	0	0	112.7	G26 F30	G26-V28 PolarHBondContact O-N 3.23Å; V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 2.99Å
29	F	33.4	Very low	30.9	Very low	162 Å²	162	150 Å²	150	71%	0.711	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-13.9	-175.4	-120.2	-98.6	0	0	0	115.4
30	F	32.6	Very low	30.9	Very low	175 Å²	175	144.2 Å²	144.2	77%	0.768	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-17.5	-177.5	-116.1	-90.1	0	0	0	114.5	V28	V28-F30 VanDerWaalsContact C-N 3.35Å; V28-F30 PolarHBondContact O-N 2.99Å
31	Y	31.3	Very low	30.9	Very low	194 Å²	194	144.2 Å²	144.2	76%	0.761	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-19.3	179	-104	-85.5	0	0	0	114.2
32	I	34.4	Very low	30.8	Very low	117 Å²	117	137.9 Å²	137.9	60%	0.6	74%	0.737	S	S	*	*	H	α-helix	trans	-86.6	-29.4	-176.6	-64.5	177	0	0	0	111.6
33	L	32.8	Very low	30.9	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	74%	0.737	S	S	*	*	H	α-helix	trans	-81.6	-13.5	178.5	-93.3	159.6	0	0	0	115
34	I	32.3	Very low	31.4	Very low	115 Å²	115	128.1 Å²	128.1	59%	0.59	73%	0.728	S	S	*	*	H	α-helix	trans	-87.2	-23.5	172.9	-69.1	-177.5	0	0	0	111.9
35	I	31	Very low	31.9	Very low	102 Å²	102	130.8 Å²	130.8	52%	0.523	73%	0.732	S	S	.	*	H	α-helix	trans	-79	-30	175.3	-63	174.3	0	0	0	111.3	K37 Y38 F39	I35-K37 PolarHBondContact O-N 3.05Å; I35-K37 VanDerWaalsContact O-N 3.08Å; I35-Y38 PolarHBondContact O-N 2.97Å; I35-Y38 VanDerWaalsContact O-N 3.11Å; I35-F39 PolarHBondContact O-N 3.42Å
36	G	29.8	Very low	33	Very low	69 Å²	69	132.1 Å²	132.1	71%	0.711	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-7.6	176.3	0	0	0	0	0	116.2
37	K	31.4	Very low	34.5	Very low	196 Å²	196	131.4 Å²	131.4	85%	0.852	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	5.2	173.5	-110.1	-179.1	179.8	178.3	0	114.5	I35	I35-K37 PolarHBondContact O-N 3.05Å; I35-K37 VanDerWaalsContact O-N 3.08Å
38	Y	29.7	Very low	36.1	Very low	198 Å²	198	134.6 Å²	134.6	78%	0.776	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	2.3	177.6	-107.5	-84.2	0	0	0	114.5	I35	I35-Y38 PolarHBondContact O-N 2.97Å; I35-Y38 VanDerWaalsContact O-N 3.11Å
39	F	30.5	Very low	38.2	Very low	177 Å²	177	130.5 Å²	130.5	78%	0.776	69%	0.689	S	S	*	*			trans	-120.7	65.6	170.8	-95.5	-87.1	0	0	0	112.6	I35	I35-F39 PolarHBondContact O-N 3.42Å
40	S	28.7	Very low	40.4	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	68%	0.68	S	S	*	*			trans	-123.4	45.6	145.5	-161	0	0	0	0	110.4
41	H	30.7	Very low	42.5	Very low	180 Å²	180	124 Å²	124	83%	0.833	68%	0.675	S	S	*	*			trans	-91	56.9	144.3	-90.2	28.5	0	0	0	108.3	G43	H41-G43 PolarHBondContact O-N 3.02Å
42	G	27.7	Very low	44.4	Very low	63 Å²	63	115.5 Å²	115.5	65%	0.649	65%	0.646	S	S	*	*			trans	-65.2	115.1	151.4	0	0	0	0	0	105.7	G44	G42-G44 PolarHBondContact O-N 2.99Å
43	G	31.9	Very low	46.7	Very low	78 Å²	78	115.2 Å²	115.2	80%	0.804	64%	0.639	S	S	*	*			trans	-60.5	101.4	179.8	0	0	0	0	0	109.4	H41 Q45	H41-G43 PolarHBondContact O-N 3.02Å; G43-Q45 PolarHBondContact O-N 2.92Å
44	G	35.1	Very low	49.1	Very low	63 Å²	63	110 Å²	110	65%	0.649	61%	0.61	S	S	*	*			trans	-58.6	111.1	167.7	0	0	0	0	0	107.3	G42 D46	G42-G44 PolarHBondContact O-N 2.99Å; G44-D46 PolarHBondContact O-N 3.32Å; G44-D46 VanDerWaalsContact O-N 3.08Å
45	Q	40.3	Very low	51.6	Low	175 Å²	175	107 Å²	107	82%	0.818	60%	0.598	S	S	*	*			trans	-58.8	113	154	-73.9	-178.7	-46.5	0	0	105.2	G43 V47	G43-Q45 PolarHBondContact O-N 2.92Å; Q45-V47 WeakPolarHBondContact O-CG2 3.38Å; Q45-V47 PolarHBondContact O-N 3.17Å
46	D	50.2	Low	54.1	Low	153 Å²	153	102.1 Å²	102.1	82%	0.818	57%	0.573	S	S	*	*			trans	-52.9	104.8	172	-80.8	-41.2	0	0	0	107.7	G44 K48	G44-D46 PolarHBondContact O-N 3.32Å; G44-D46 VanDerWaalsContact O-N 3.08Å; D46-K48 PolarHBondContact O-N 3.39Å
47	V	60.7	Low	56.5	Low	45 Å²	45	100.6 Å²	100.6	27%	0.273	56%	0.557	S	S	.	*			trans	-69.9	89.7	-178.6	-179.3	0	0	0	0	106.5	Q45 C49 P55 T60	Q45-V47 WeakPolarHBondContact O-CG2 3.38Å; Q45-V47 PolarHBondContact O-N 3.17Å; V47-C49 PolarHBondContact O-N 2.95Å; V47-P55 HydrophobicContact CB-CB 4.14Å; V47-P55 HydrophobicContact CG1-CB 4.36Å; V47-T60 HydrophobicContact CG2-CG2 4.44Å
48	K	70.5	Confident	58.7	Low	202 Å²	202	99.1 Å²	99.1	88%	0.878	56%	0.559	S	S	*	*			trans	-70.1	83	179.8	-99.6	-179.8	174	171.8	0	110.2	D46	D46-K48 PolarHBondContact O-N 3.39Å
49	C	78.1	Confident	61.1	Low	29 Å²	29	93 Å²	93	20%	0.196	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-63.6	152.1	167.8	-59.2	0	0	0	0	110.8	V47 Y53 C62	V47-C49 PolarHBondContact O-N 2.95Å; C49-Y53 WeakPolarHBondContact CB-O 3.39Å; C49-C62 WeakPolarHBondContact CA-SG 3.47Å; C49-C62 HydrophobicContact CB-CB 3.77Å; C49-C62 WeakPolarHBondContact CB-SG 3.3Å; C49-C62 WeakPolarHBondContact SG-CB 3.43Å; C49-C62 CovalentContact SG-SG 2.04Å; C49-C62 PolarHBondContact SG-SG 2.92Å
50	S	79.1	Confident	63.3	Low	75 Å²	75	90.2 Å²	90.2	52%	0.524	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-64.8	155.4	171.5	41	0	0	0	0	111.6	G52 Y53	S50-G52 PolarHBondContact O-N 2.83Å; S50-Y53 WeakPolarHBondContact O-CB 3.45Å; S50-Y53 PolarHBondContact O-N 3.41Å; S50-Y53 VanDerWaalsContact OG-CD2 3.28Å; S50-Y53 WeakPolarHBondContact OG-CD2 3.47Å
51	L	76.1	Confident	65.8	Low	126 Å²	126	89.3 Å²	89.3	66%	0.66	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	130.7	175.7	-159.5	89.7	0	0	0	110.5	P406 H407	L51-P406 HydrophobicContact CD2-CB 4.36Å; L51-P406 HydrophobicContact CD2-CG 3.73Å; L51-P406 HydrophobicContact CG-CB 4.48Å; L51-P406 HydrophobicContact CG-CG 4.24Å; L51-H407 HydrophobicContact CD1-CB 4.44Å
52	G	71.9	Confident	68.4	Low	15 Å²	15	82.8 Å²	82.8	16%	0.155	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-2.4	-172	0	0	0	0	0	115.2	S50 P64 Q65 P406	S50-G52 PolarHBondContact O-N 2.83Å; G52-P64 CarbonylContact O-C 3.4Å; G52-P64 WeakPolarHBondContact O-CA 3.17Å; G52-Q65 PolarHBondContact O-N 3.2Å; G52-P406 WeakPolarHBondContact CA-O 3.37Å; G52-P406 PolarHBondContact N-O 3.37Å
53	Y	81.4	Confident	70.9	Confident	111 Å²	111	80.4 Å²	80.4	44%	0.435	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.3	179.5	-66	-109.2	0	0	0	111.5	C49 S50 C62 L63 P64	C49-Y53 WeakPolarHBondContact CB-O 3.39Å; S50-Y53 WeakPolarHBondContact O-CB 3.45Å; S50-Y53 PolarHBondContact O-N 3.41Å; S50-Y53 VanDerWaalsContact OG-CD2 3.28Å; S50-Y53 WeakPolarHBondContact OG-CD2 3.47Å; Y53-C62 HydrophobicContact CD1-CB 4.49Å; Y53-L63 CarbonylContact C-O 3.59Å; Y53-L63 WeakPolarHBondContact CA-O 3.16Å; Y53-P64 HydrophobicContact CD1-CB 4.13Å; Y53-P64 HydrophobicContact CE1-CB 3.94Å; Y53-P64 HydrophobicContact CE1-CG 4.34Å
54	F	84.4	Confident	73.2	Confident	31 Å²	31	77.9 Å²	77.9	14%	0.136	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.6	-176.5	-58.5	-87.2	0	0	0	110.5	C62 L63 Q65 H407 V408 R409	F54-C62 CarbonylContact O-C 3.52Å; F54-C62 WeakPolarHBondContact O-CA 3.43Å; F54-L63 PolarHBondContact N-O 3.26Å; F54-L63 PolarHBondContact O-N 3.39Å; F54-Q65 HydrophobicContact CD2-CB 4.36Å; F54-Q65 HydrophobicContact CE2-CB 3.84Å; F54-Q65 HydrophobicContact CE2-CG 3.97Å; F54-H407 WeakPolarHBondContact CE1-O 3.23Å; F54-V408 WeakPolarHBondContact CE2-O 3.19Å; F54-V408 WeakPolarHBondContact CZ-O 3.17Å; F54-R409 HydrophobicContact CD1-CB 4.08Å; F54-R409 HydrophobicContact CD1-CG 4.28Å; F54-R409 HydrophobicContact CE1-CB 4.08Å; F54-R409 HydrophobicContact CG-CB 4.42Å; F54-R409 HydrophobicContact CG-CG 4.22Å; F54-R409 HydrophobicContact CZ-CB 4.43Å
55	P	85.3	Confident	75.3	Confident	51 Å²	51	76.1 Å²	76.1	33%	0.331	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.8	-176.3	30.4	-34.9	0	0	0	112.7	V47 G57 H68	V47-P55 HydrophobicContact CB-CB 4.14Å; V47-P55 HydrophobicContact CG1-CB 4.36Å; P55-G57 PolarHBondContact O-N 3.42Å; P55-H68 PolarHBondContact O-NE2 2.81Å; P55-H68 VanDerWaalsContact O-NE2 3.08Å
56	C	83.7	Confident	76.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.381	C	S	.	.			trans	-73.7	62	170.1	-77	0	0	0	0	112.1	N58 I59 K61 C75	C56-N58 PolarHBondContact O-N 3.42Å; C56-I59 HydrophobicContact CB-CB 4.15Å; C56-I59 HydrophobicContact CB-CD1 4.5Å; C56-I59 PolarHBondContact O-N 2.87Å; C56-K61 HydrophobicContact CB-CB 4.21Å; C56-K61 WeakPolarHBondContact CB-O 3.41Å; C56-K61 PolarHBondContact N-O 3.48Å; C56-C75 WeakPolarHBondContact CA-SG 3.3Å; C56-C75 HydrophobicContact CB-CB 3.69Å; C56-C75 WeakPolarHBondContact CB-SG 3.33Å; C56-C75 WeakPolarHBondContact SG-CA 3.3Å; C56-C75 WeakPolarHBondContact SG-CB 3.03Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.92Å
57	G	79.8	Confident	77.9	Confident	37 Å²	37	64.4 Å²	64.4	38%	0.381	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-122.5	-172	0	0	0	0	0	111.1	P55 I59	P55-G57 PolarHBondContact O-N 3.42Å; G57-I59 VanDerWaalsContact C-N 3.3Å; G57-I59 PolarHBondContact O-N 3.41Å
58	N	77.4	Confident	78.8	Confident	165 Å²	165	62.4 Å²	62.4	88%	0.882	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	5.6	-178.1	-68.4	-9.2	0	0	0	114.4	C56	C56-N58 PolarHBondContact O-N 3.42Å
59	I	79	Confident	79.3	Confident	70 Å²	70	53.3 Å²	53.3	36%	0.359	30%	0.302	S	S	.	.	S	Bend	trans	-89.8	141.9	177.6	-50.9	176.5	0	0	0	109.1	C56 G57 K61 N77	C56-I59 HydrophobicContact CB-CB 4.15Å; C56-I59 HydrophobicContact CB-CD1 4.5Å; C56-I59 PolarHBondContact O-N 2.87Å; G57-I59 VanDerWaalsContact C-N 3.3Å; G57-I59 PolarHBondContact O-N 3.41Å; I59-K61 HydrophobicContact CB-CB 4.44Å; I59-K61 HydrophobicContact CG2-CB 3.83Å; I59-K61 PolarHBondContact O-N 2.87Å; I59-N77 HydrophobicContact CD1-CB 4.35Å; I59-N77 WeakPolarHBondContact CD1-ND2 3.39Å
60	T	76.9	Confident	79.1	Confident	118 Å²	118	54.5 Å²	54.5	72%	0.724	31%	0.306	S	S	*	.	S	Bend	trans	-67.4	11	173.8	59.6	0	0	0	0	114.5	V47	V47-T60 HydrophobicContact CG2-CG2 4.44Å
61	K	82.4	Confident	79.1	Confident	88 Å²	88	54 Å²	54	38%	0.383	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-87.7	120	177.9	-173.1	-175.3	-173.3	-170.9	0	108.3	C56 I59 L63 D74	C56-K61 HydrophobicContact CB-CB 4.21Å; C56-K61 WeakPolarHBondContact CB-O 3.41Å; C56-K61 PolarHBondContact N-O 3.48Å; I59-K61 HydrophobicContact CB-CB 4.44Å; I59-K61 HydrophobicContact CG2-CB 3.83Å; I59-K61 PolarHBondContact O-N 2.87Å; K61-L63 HydrophobicContact CD-CD2 4.48Å; K61-D74 PolarHBondContact NZ-O 3.4Å
62	C	83.7	Confident	79.4	Confident	43 Å²	43	51.9 Å²	51.9	29%	0.291	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.9	171.9	-63.9	0	0	0	0	109.4	C49 Y53 F54	C49-C62 WeakPolarHBondContact CA-SG 3.47Å; C49-C62 HydrophobicContact CB-CB 3.77Å; C49-C62 WeakPolarHBondContact CB-SG 3.3Å; C49-C62 WeakPolarHBondContact SG-CB 3.43Å; C49-C62 CovalentContact SG-SG 2.04Å; C49-C62 PolarHBondContact SG-SG 2.92Å; Y53-C62 HydrophobicContact CD1-CB 4.49Å; F54-C62 CarbonylContact O-C 3.52Å; F54-C62 WeakPolarHBondContact O-CA 3.43Å
63	L	81.4	Confident	80	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.8	169.8	-66.1	-175.7	0	0	0	110.6	Y53 F54 K61 L67 D74 C75 D80	Y53-L63 CarbonylContact C-O 3.59Å; Y53-L63 WeakPolarHBondContact CA-O 3.16Å; F54-L63 PolarHBondContact N-O 3.26Å; F54-L63 PolarHBondContact O-N 3.39Å; K61-L63 HydrophobicContact CD-CD2 4.48Å; L63-L67 HydrophobicContact CB-CB 4.31Å; L63-L67 HydrophobicContact CD1-CB 4.1Å; L63-L67 HydrophobicContact CD2-CD1 4.12Å; L63-D74 HydrophobicContact CD1-CB 3.68Å; L63-C75 HydrophobicContact CD1-CB 4.45Å; L63-C75 WeakPolarHBondContact CD1-SG 3.38Å; L63-D80 HydrophobicContact CD1-CB 4.21Å
64	P	79.2	Confident	80.1	Confident	26 Å²	26	51.5 Å²	51.5	17%	0.169	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	152.7	170.4	28	-35.1	0	0	0	111.4	G52 Y53 L66 L67	G52-P64 CarbonylContact O-C 3.4Å; G52-P64 WeakPolarHBondContact O-CA 3.17Å; Y53-P64 HydrophobicContact CD1-CB 4.13Å; Y53-P64 HydrophobicContact CE1-CB 3.94Å; Y53-P64 HydrophobicContact CE1-CG 4.34Å; P64-L66 HydrophobicContact CB-CD2 3.86Å; P64-L66 HydrophobicContact CB-CG 4.08Å; P64-L66 HydrophobicContact CG-CD1 4.49Å; P64-L66 HydrophobicContact CG-CD2 3.99Å; P64-L66 HydrophobicContact CG-CG 3.95Å; P64-L66 PolarHBondContact O-N 2.9Å; P64-L67 HydrophobicContact CG-CD1 4.06Å; P64-L67 HydrophobicContact CG-CG 4.11Å; P64-L67 PolarHBondContact O-N 3.23Å
65	Q	80.4	Confident	80.1	Confident	26 Å²	26	50.5 Å²	50.5	12%	0.121	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-41.1	-35.3	177.4	-169.8	-180	22.1	0	0	114.5	G52 F54 H68 A405 V408	G52-Q65 PolarHBondContact O-N 3.2Å; F54-Q65 HydrophobicContact CD2-CB 4.36Å; F54-Q65 HydrophobicContact CE2-CB 3.84Å; F54-Q65 HydrophobicContact CE2-CG 3.97Å; Q65-H68 PolarHBondContact O-N 2.92Å; Q65-A405 PolarHBondContact NE2-O 2.92Å; Q65-A405 VanDerWaalsContact NE2-O 3.1Å; Q65-V408 WeakPolarHBondContact CG-O 3.48Å; Q65-V408 PolarHBondContact NE2-O 3.33Å
66	L	69.5	Low	80	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.22	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-74.3	-19.9	-175	68.1	99.5	0	0	0	115.3	P64 L421 E422	P64-L66 HydrophobicContact CB-CD2 3.86Å; P64-L66 HydrophobicContact CB-CG 4.08Å; P64-L66 HydrophobicContact CG-CD1 4.49Å; P64-L66 HydrophobicContact CG-CD2 3.99Å; P64-L66 HydrophobicContact CG-CG 3.95Å; P64-L66 PolarHBondContact O-N 2.9Å; L66-L421 HydrophobicContact CB-CD1 4.19Å; L66-E422 HydrophobicContact CD1-CG 3.81Å; L66-E422 VanDerWaalsContact CD1-OE1 3.29Å; L66-E422 WeakPolarHBondContact CD1-OE1 3.4Å; L66-E422 HydrophobicContact CD2-CG 3.58Å; L66-E422 HydrophobicContact CG-CG 4.3Å
67	L	75.9	Confident	80	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.204	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-95.4	-0.8	176.8	-59.4	179.2	0	0	0	112.7	L63 P64 D74	L63-L67 HydrophobicContact CB-CB 4.31Å; L63-L67 HydrophobicContact CD1-CB 4.1Å; L63-L67 HydrophobicContact CD2-CD1 4.12Å; P64-L67 HydrophobicContact CG-CD1 4.06Å; P64-L67 HydrophobicContact CG-CG 4.11Å; P64-L67 PolarHBondContact O-N 3.23Å; L67-D74 HydrophobicContact CB-CB 4.24Å; L67-D74 HydrophobicContact CD1-CB 4.28Å; L67-D74 WeakPolarHBondContact CD2-OD2 3.39Å
68	H	79.6	Confident	80.1	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.019	35%	0.345	C	S	.	.	S	Bend	trans	-87.3	134.8	168.1	-77.2	-89.2	0	0	0	109.9	P55 Q65 N70 D80 R409	P55-H68 PolarHBondContact O-NE2 2.81Å; P55-H68 VanDerWaalsContact O-NE2 3.08Å; Q65-H68 PolarHBondContact O-N 2.92Å; H68-N70 VanDerWaalsContact C-N 3.34Å; H68-N70 PolarHBondContact O-N 2.9Å; H68-D80 WeakPolarHBondContact CE1-CA 3.44Å; H68-D80 PolarHBondContact CE1-O 3.21Å; H68-D80 WeakPolarHBondContact ND1-CA 3.23Å; H68-D80 PolarHBondContact ND1-O 3.05Å; H68-R409 HydrophobicContact CB-CG 4.26Å; H68-R409 PolarHBondContact CE1-NE 2.9Å; H68-R409 PolarHBondContact CE1-NH2 3.35Å; H68-R409 PolarHBondContact ND1-NE 3.39Å
69	C	80.2	Confident	80.4	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.074	31%	0.308	C	S	.	.	S	Bend	trans	58.4	43.5	175.4	-48.7	0	0	0	0	113.1	D80 E81 C84 K412	C69-D80 PolarHBondContact N-O 2.81Å; C69-E81 VanDerWaalsContact C-OE1 3.31Å; C69-E81 WeakPolarHBondContact CA-OE1 3.46Å; C69-E81 PolarHBondContact N-OE1 3.49Å; C69-C84 WeakPolarHBondContact CA-SG 3.43Å; C69-C84 HydrophobicContact CB-CB 3.5Å; C69-C84 WeakPolarHBondContact CB-SG 3.19Å; C69-C84 WeakPolarHBondContact SG-CA 3.26Å; C69-C84 WeakPolarHBondContact SG-CB 3.26Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.11Å; C69-K412 PolarHBondContact O-NZ 3.38Å
70	N	74.9	Confident	80.5	Confident	54 Å²	54	48 Å²	48	29%	0.289	29%	0.291	S	S	.	.	S	Bend	trans	-103.2	-8.8	177.6	73.7	6.2	0	0	0	113	H68 V72 D74 E81	H68-N70 VanDerWaalsContact C-N 3.34Å; H68-N70 PolarHBondContact O-N 2.9Å; N70-V72 WeakPolarHBondContact OD1-CA 3.15Å; N70-V72 VanDerWaalsContact OD1-CB 3.3Å; N70-V72 WeakPolarHBondContact OD1-CB 3.12Å; N70-V72 PolarHBondContact OD1-N 3.4Å; N70-V72 PolarHBondContact OD1-O 2.92Å; N70-D74 PolarHBondContact ND2-OD2 3.28Å; N70-E81 PolarHBondContact N-OE1 3.12Å; N70-E81 PolarHBondContact OD1-OE1 2.99Å
71	G	78.7	Confident	80.9	Confident	63 Å²	63	44.8 Å²	44.8	65%	0.649	27%	0.268	S	S	*	.	S	Bend	trans	88.9	13.3	-176.5	0	0	0	0	0	115.2	E81	G71-E81 WeakPolarHBondContact CA-OE2 3.33Å; G71-E81 PolarHBondContact N-OE1 3.44Å; G71-E81 VanDerWaalsContact N-OE1 3.13Å; G71-E81 PolarHBondContact N-OE2 2.98Å
72	V	82.1	Confident	80.7	Confident	82 Å²	82	44.8 Å²	44.8	50%	0.497	27%	0.272	S	S	.	.	S	Bend	trans	-134	135.7	-175.3	-174.5	0	0	0	0	109.3	N70 D74	N70-V72 WeakPolarHBondContact OD1-CA 3.15Å; N70-V72 VanDerWaalsContact OD1-CB 3.3Å; N70-V72 WeakPolarHBondContact OD1-CB 3.12Å; N70-V72 PolarHBondContact OD1-N 3.4Å; N70-V72 PolarHBondContact OD1-O 2.92Å; V72-D74 PolarHBondContact O-N 3.11Å; V72-D74 VanDerWaalsContact O-N 3.09Å
73	D	83.9	Confident	80.2	Confident	66 Å²	66	49.2 Å²	49.2	35%	0.353	29%	0.293	S	S	.	.			trans	-81	84.1	174.8	-178.4	14.4	0	0	0	110.2	G76 N77 Q78	D73-G76 VanDerWaalsContact OD1-CA 3.27Å; D73-G76 WeakPolarHBondContact OD1-CA 3.27Å; D73-G76 PolarHBondContact OD1-N 3.03Å; D73-N77 PolarHBondContact OD1-N 3.24Å; D73-N77 PolarHBondContact OD2-N 3.38Å; D73-Q78 HydrophobicContact CB-CG 4.06Å; D73-Q78 VanDerWaalsContact CG-N 3.31Å; D73-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D73-Q78 PolarHBondContact OD1-N 3.21Å; D73-Q78 WeakPolarHBondContact OD2-CG 3.44Å; D73-Q78 PolarHBondContact OD2-N 2.9Å
74	D	84.8	Confident	80	Confident	53 Å²	53	50.1 Å²	50.1	28%	0.283	30%	0.301	S	S	.	.	S	Bend	trans	-80.2	-21	174.4	-75.8	-60.2	0	0	0	111.7	K61 L63 L67 N70 V72 D80	K61-D74 PolarHBondContact NZ-O 3.4Å; L63-D74 HydrophobicContact CD1-CB 3.68Å; L67-D74 HydrophobicContact CB-CB 4.24Å; L67-D74 HydrophobicContact CD1-CB 4.28Å; L67-D74 WeakPolarHBondContact CD2-OD2 3.39Å; N70-D74 PolarHBondContact ND2-OD2 3.28Å; V72-D74 PolarHBondContact O-N 3.11Å; V72-D74 VanDerWaalsContact O-N 3.09Å; D74-D80 VanDerWaalsContact CA-OD2 3.28Å; D74-D80 WeakPolarHBondContact CA-OD2 3.4Å; D74-D80 WeakPolarHBondContact CB-OD2 3.49Å; D74-D80 PolarHBondContact N-OD2 3.31Å
75	C	82.9	Confident	79.5	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.068	31%	0.313	C	S	.	.	S	Bend	trans	-75.7	-33.1	175.5	-78.1	0	0	0	0	113.1	C56 L63 N77 D80	C56-C75 WeakPolarHBondContact CA-SG 3.3Å; C56-C75 HydrophobicContact CB-CB 3.69Å; C56-C75 WeakPolarHBondContact CB-SG 3.33Å; C56-C75 WeakPolarHBondContact SG-CA 3.3Å; C56-C75 WeakPolarHBondContact SG-CB 3.03Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.92Å; L63-C75 HydrophobicContact CD1-CB 4.45Å; L63-C75 WeakPolarHBondContact CD1-SG 3.38Å; C75-N77 WeakPolarHBondContact CB-OD1 3.49Å; C75-D80 HydrophobicContact CB-CB 4.38Å; C75-D80 PolarHBondContact N-OD2 3.26Å; C75-D80 VanDerWaalsContact SG-CB 3.57Å; C75-D80 VanDerWaalsContact SG-CG 3.54Å
76	G	83.4	Confident	79.3	Confident	63 Å²	63	51.4 Å²	51.4	65%	0.649	32%	0.316	S	S	*	.	S	Bend	trans	84.3	12.8	-171.4	0	0	0	0	0	113.9	D73	D73-G76 VanDerWaalsContact OD1-CA 3.27Å; D73-G76 WeakPolarHBondContact OD1-CA 3.27Å; D73-G76 PolarHBondContact OD1-N 3.03Å
77	N	84.4	Confident	79.2	Confident	70 Å²	70	54.2 Å²	54.2	37%	0.374	33%	0.332	S	S	.	.	S	Bend	trans	-146.5	12.3	178.4	73.8	-20.2	0	0	0	113.1	I59 D73 C75 A79	I59-N77 HydrophobicContact CD1-CB 4.35Å; I59-N77 WeakPolarHBondContact CD1-ND2 3.39Å; D73-N77 PolarHBondContact OD1-N 3.24Å; D73-N77 PolarHBondContact OD2-N 3.38Å; C75-N77 WeakPolarHBondContact CB-OD1 3.49Å; N77-A79 PolarHBondContact O-N 3.48Å; N77-A79 VanDerWaalsContact O-N 3.07Å; N77-A79 WeakPolarHBondContact OD1-CB 3.26Å; N77-A79 PolarHBondContact OD1-N 3.11Å
78	Q	82.1	Confident	78.9	Confident	123 Å²	123	53.5 Å²	53.5	58%	0.575	33%	0.328	S	S	*	.	S	Bend	trans	61.2	6.6	-178.7	-57.5	178.1	-15.4	0	0	115.6	D73 D80 E81 D82	D73-Q78 HydrophobicContact CB-CG 4.06Å; D73-Q78 VanDerWaalsContact CG-N 3.31Å; D73-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D73-Q78 PolarHBondContact OD1-N 3.21Å; D73-Q78 WeakPolarHBondContact OD2-CG 3.44Å; D73-Q78 PolarHBondContact OD2-N 2.9Å; Q78-D80 VanDerWaalsContact C-OD1 3.31Å; Q78-D80 PolarHBondContact O-N 2.62Å; Q78-E81 CarbonylContact O-C 3.35Å; Q78-E81 PolarHBondContact O-N 3.39Å; Q78-D82 PolarHBondContact O-N 3.25Å
79	A	82.7	Confident	78.3	Confident	13 Å²	13	53.5 Å²	53.5	11%	0.107	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.4	-177.1	0	0	0	0	0	114	N77 R409	N77-A79 PolarHBondContact O-N 3.48Å; N77-A79 VanDerWaalsContact O-N 3.07Å; N77-A79 WeakPolarHBondContact OD1-CB 3.26Å; N77-A79 PolarHBondContact OD1-N 3.11Å; A79-R409 PolarHBondContact O-NH2 3.11Å
80	D	82.3	Confident	77.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.6	168.9	40.8	-0.8	0	0	0	113.4	L63 H68 C69 D74 C75 Q78 C84 R409	L63-D80 HydrophobicContact CD1-CB 4.21Å; H68-D80 WeakPolarHBondContact CE1-CA 3.44Å; H68-D80 PolarHBondContact CE1-O 3.21Å; H68-D80 WeakPolarHBondContact ND1-CA 3.23Å; H68-D80 PolarHBondContact ND1-O 3.05Å; C69-D80 PolarHBondContact N-O 2.81Å; D74-D80 VanDerWaalsContact CA-OD2 3.28Å; D74-D80 WeakPolarHBondContact CA-OD2 3.4Å; D74-D80 WeakPolarHBondContact CB-OD2 3.49Å; D74-D80 PolarHBondContact N-OD2 3.31Å; C75-D80 HydrophobicContact CB-CB 4.38Å; C75-D80 PolarHBondContact N-OD2 3.26Å; C75-D80 VanDerWaalsContact SG-CB 3.57Å; C75-D80 VanDerWaalsContact SG-CG 3.54Å; Q78-D80 VanDerWaalsContact C-OD1 3.31Å; Q78-D80 PolarHBondContact O-N 2.62Å; D80-C84 PolarHBondContact O-SG 3.4Å; D80-R409 PolarHBondContact O-NH2 3.08Å
81	E	85.1	Confident	76.7	Confident	52 Å²	52	54.5 Å²	54.5	24%	0.243	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.3	176.5	-65.9	-57.7	119.4	0	0	113.6	C69 N70 G71 Q78 C84	C69-E81 VanDerWaalsContact C-OE1 3.31Å; C69-E81 WeakPolarHBondContact CA-OE1 3.46Å; C69-E81 PolarHBondContact N-OE1 3.49Å; N70-E81 PolarHBondContact N-OE1 3.12Å; N70-E81 PolarHBondContact OD1-OE1 2.99Å; G71-E81 WeakPolarHBondContact CA-OE2 3.33Å; G71-E81 PolarHBondContact N-OE1 3.44Å; G71-E81 VanDerWaalsContact N-OE1 3.13Å; G71-E81 PolarHBondContact N-OE2 2.98Å; Q78-E81 CarbonylContact O-C 3.35Å; Q78-E81 PolarHBondContact O-N 3.39Å; E81-C84 VanDerWaalsContact CA-SG 3.56Å; E81-C84 WeakPolarHBondContact O-CB 3.5Å; E81-C84 PolarHBondContact O-SG 3.32Å
82	D	78.8	Confident	75.9	Confident	87 Å²	87	54.6 Å²	54.6	47%	0.465	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	132.9	173.4	-85.4	-27.5	0	0	0	112.4	Q78 R409	Q78-D82 PolarHBondContact O-N 3.25Å; D82-R409 PolarHBondContact O-NH1 2.88Å; D82-R409 PolarHBondContact O-NH2 2.99Å
83	N	73	Confident	74.7	Confident	136 Å²	136	54.1 Å²	54.1	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	39.9	179.9	-55.1	-70.3	0	0	0	114.4
84	C	75.6	Confident	73.7	Confident	33 Å²	33	53.6 Å²	53.6	22%	0.223	31%	0.309	C	S	.	.			trans	-86.5	-8.6	176.2	-72.6	0	0	0	0	115.5	C69 D80 E81	C69-C84 WeakPolarHBondContact CA-SG 3.43Å; C69-C84 HydrophobicContact CB-CB 3.5Å; C69-C84 WeakPolarHBondContact CB-SG 3.19Å; C69-C84 WeakPolarHBondContact SG-CA 3.26Å; C69-C84 WeakPolarHBondContact SG-CB 3.26Å; C69-C84 CovalentContact SG-SG 2.02Å; C69-C84 PolarHBondContact SG-SG 3.11Å; D80-C84 PolarHBondContact O-SG 3.4Å; E81-C84 VanDerWaalsContact CA-SG 3.56Å; E81-C84 WeakPolarHBondContact O-CB 3.5Å; E81-C84 PolarHBondContact O-SG 3.32Å
85	G	70.3	Confident	72.4	Confident	42 Å²	42	56.2 Å²	56.2	43%	0.433	32%	0.323	S	S	.	.	S	Bend	trans	-79.2	134.6	165.2	0	0	0	0	0	110.1	N87	G85-N87 PolarHBondContact O-N 2.9Å
86	D	75.6	Confident	70.9	Confident	36 Å²	36	62 Å²	62	19%	0.193	35%	0.347	C	S	.	.			trans	-76.3	63.5	171.7	-172.4	25.7	0	0	0	110.9	N88 S369 H393 Y395	D86-N88 PolarHBondContact O-N 3.48Å; D86-N88 VanDerWaalsContact O-N 3.09Å; D86-N88 WeakPolarHBondContact OD1-CB 3.48Å; D86-N88 PolarHBondContact OD1-ND2 3.45Å; D86-S369 VanDerWaalsContact OD1-CB 3.3Å; D86-S369 WeakPolarHBondContact OD1-CB 3.27Å; D86-S369 VanDerWaalsContact OD2-CB 3.24Å; D86-S369 WeakPolarHBondContact OD2-CB 3.13Å; D86-S369 PolarHBondContact OD2-OG 3.47Å; D86-H393 HydrophobicContact CB-CB 4.48Å; D86-H393 IonicContact OD1-CG 2.84Å; D86-H393 IonicContact OD1-ND1 2.72Å; D86-Y395 HydrophobicContact CB-CE2 4.4Å; D86-Y395 WeakPolarHBondContact CB-OH 3.32Å
87	N	67.5	Low	69.6	Low	102 Å²	102	63.7 Å²	63.7	55%	0.545	34%	0.335	S	S	.	.			trans	-82.8	37.7	174.4	-56.9	-8.9	0	0	0	109.9	G85 L92	G85-N87 PolarHBondContact O-N 2.9Å; N87-L92 HydrophobicContact CB-CD1 4.34Å; N87-L92 WeakPolarHBondContact O-CB 3.23Å
88	N	68.9	Low	68.1	Low	24 Å²	24	63.9 Å²	63.9	13%	0.128	33%	0.332	C	S	.	.			trans	-80.3	-175.1	170	-71.4	-61.9	0	0	0	109.7	D86 S91 Q345 K368 S392	D86-N88 PolarHBondContact O-N 3.48Å; D86-N88 VanDerWaalsContact O-N 3.09Å; D86-N88 WeakPolarHBondContact OD1-CB 3.48Å; D86-N88 PolarHBondContact OD1-ND2 3.45Å; N88-S91 PolarHBondContact O-OG 2.9Å; N88-Q345 PolarHBondContact O-OE1 3.12Å; N88-K368 HydrophobicContact CB-CB 4.47Å; N88-K368 WeakPolarHBondContact OD1-CD 3.4Å; N88-S392 PolarHBondContact ND2-OG 2.86Å
89	G	67.3	Low	66.4	Low	4 Å²	4	60.1 Å²	60.1	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	-154.5	-177.5	0	0	0	0	0	113.2	D320 E321 S344 Q345	G89-D320 WeakPolarHBondContact CA-OD2 3.27Å; G89-E321 WeakPolarHBondContact CA-OE2 3.36Å; G89-S344 PolarHBondContact N-OG 3.44Å; G89-Q345 VanDerWaalsContact CA-OE1 3.32Å
90	W	63.4	Low	64.5	Low	26 Å²	26	62.6 Å²	62.6	10%	0.098	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.1	-170.7	-174.3	-83.6	0	0	0	114	L92 Q93 F94 H272 W273 T296 V297 E321	W90-L92 VanDerWaalsContact C-N 3.25Å; W90-L92 PolarHBondContact O-N 3.18Å; W90-Q93 HydrophobicContact CD2-CB 4.04Å; W90-Q93 HydrophobicContact CE3-CB 3.94Å; W90-Q93 HydrophobicContact CE3-CG 4.41Å; W90-Q93 HydrophobicContact CG-CB 4.25Å; W90-Q93 CarbonylContact O-C 3.32Å; W90-Q93 WeakPolarHBondContact O-CA 3.04Å; W90-Q93 PolarHBondContact O-N 2.88Å; W90-F94 AromaticContact CD1-CD2 3.93Å; W90-F94 AromaticContact NE1-CD2 3.42Å; W90-F94 VanDerWaalsContact O-CB 3.25Å; W90-F94 WeakPolarHBondContact O-CB 3.5Å; W90-F94 PolarHBondContact O-N 2.89Å; W90-H272 HydrophobicContact CH2-CB 3.93Å; W90-H272 AromaticContact CH2-CD2 3.94Å; W90-H272 HydrophobicContact CZ2-CB 3.99Å; W90-W273 HydrophobicContact CB-CE3 4.25Å; W90-W273 HydrophobicContact CB-CZ3 3.97Å; W90-W273 AromaticContact CD1-CE3 3.2Å; W90-W273 AromaticContact CD1-CZ3 3.35Å; W90-W273 AromaticContact CG-CE3 3.84Å; W90-W273 HydrophobicContact CG-CE3 3.84Å; W90-W273 AromaticContact CG-CZ3 3.94Å; W90-W273 HydrophobicContact CG-CZ3 3.94Å; W90-W273 AromaticContact NE1-CE3 3.66Å; W90-T296 HydrophobicContact CE3-CG2 4.35Å; W90-T296 HydrophobicContact CH2-CG2 4.29Å; W90-T296 WeakPolarHBondContact CH2-OG1 3.5Å; W90-T296 HydrophobicContact CZ3-CG2 3.69Å; W90-T296 WeakPolarHBondContact CZ3-OG1 3.44Å; W90-V297 HydrophobicContact CB-CG2 3.1Å; W90-V297 HydrophobicContact CD2-CG2 3.78Å; W90-V297 HydrophobicContact CE3-CG2 4.21Å; W90-V297 HydrophobicContact CG-CG2 3.37Å; W90-E321 PolarHBondContact N-OE2 2.76Å
91	S	58.7	Low	62.5	Low	59 Å²	59	68.2 Å²	68.2	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-48	-51.1	170.7	59.5	0	0	0	0	111.4	N88 Q93 F94 D95	N88-S91 PolarHBondContact O-OG 2.9Å; S91-Q93 PolarHBondContact O-N 3.48Å; S91-F94 WeakPolarHBondContact O-CB 2.97Å; S91-F94 PolarHBondContact O-N 2.94Å; S91-D95 PolarHBondContact O-N 2.89Å
92	L	61.7	Low	60.3	Low	66 Å²	66	69 Å²	69	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-68.6	-28.7	175.8	-162.9	88	0	0	0	113.8	N87 W90 K96	N87-L92 HydrophobicContact CB-CD1 4.34Å; N87-L92 WeakPolarHBondContact O-CB 3.23Å; W90-L92 VanDerWaalsContact C-N 3.25Å; W90-L92 PolarHBondContact O-N 3.18Å; L92-K96 WeakPolarHBondContact O-CB 3.39Å; L92-K96 WeakPolarHBondContact O-CD 3.26Å; L92-K96 WeakPolarHBondContact O-CG 3.43Å; L92-K96 PolarHBondContact O-N 3.2Å
93	Q	57.4	Low	58.4	Low	72 Å²	72	72.7 Å²	72.7	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-77.7	-34.3	175.9	-59.3	-167.3	30.2	0	0	111.5	W90 S91 K96 Y97 D320	W90-Q93 HydrophobicContact CD2-CB 4.04Å; W90-Q93 HydrophobicContact CE3-CB 3.94Å; W90-Q93 HydrophobicContact CE3-CG 4.41Å; W90-Q93 HydrophobicContact CG-CB 4.25Å; W90-Q93 CarbonylContact O-C 3.32Å; W90-Q93 WeakPolarHBondContact O-CA 3.04Å; W90-Q93 PolarHBondContact O-N 2.88Å; S91-Q93 PolarHBondContact O-N 3.48Å; Q93-K96 PolarHBondContact O-N 3.45Å; Q93-Y97 VanDerWaalsContact O-CB 3.23Å; Q93-Y97 WeakPolarHBondContact O-CB 3.3Å; Q93-Y97 PolarHBondContact O-N 2.95Å; Q93-D320 VanDerWaalsContact NE2-CG 3.28Å; Q93-D320 PolarHBondContact NE2-OD1 3.16Å; Q93-D320 PolarHBondContact NE2-OD2 3.46Å
94	F	61.3	Low	56.6	Low	54 Å²	54	74.1 Å²	74.1	24%	0.237	39%	0.388	C	S	.	.	H	α-helix	trans	-68.1	-49.4	175.4	-158.2	-116.7	0	0	0	109.8	W90 S91 K96 Y97 F98 L248	W90-F94 AromaticContact CD1-CD2 3.93Å; W90-F94 AromaticContact NE1-CD2 3.42Å; W90-F94 VanDerWaalsContact O-CB 3.25Å; W90-F94 WeakPolarHBondContact O-CB 3.5Å; W90-F94 PolarHBondContact O-N 2.89Å; S91-F94 WeakPolarHBondContact O-CB 2.97Å; S91-F94 PolarHBondContact O-N 2.94Å; F94-K96 VanDerWaalsContact C-N 3.26Å; F94-K96 PolarHBondContact O-N 2.92Å; F94-Y97 PolarHBondContact O-N 3.23Å; F94-Y97 VanDerWaalsContact O-N 3.11Å; F94-F98 HydrophobicContact CD1-CD2 4.11Å; F94-F98 AromaticContact CD1-CE2 3.59Å; F94-F98 HydrophobicContact CD1-CE2 3.59Å; F94-F98 AromaticContact CD1-CZ 3.87Å; F94-F98 HydrophobicContact CD1-CZ 3.87Å; F94-F98 HydrophobicContact CD2-CD2 4.29Å; F94-F98 AromaticContact CD2-CE2 3.67Å; F94-F98 HydrophobicContact CD2-CE2 3.67Å; F94-F98 HydrophobicContact CE1-CD2 4.29Å; F94-F98 HydrophobicContact CE1-CE1 4.21Å; F94-F98 AromaticContact CE1-CE2 3.36Å; F94-F98 HydrophobicContact CE1-CE2 3.36Å; F94-F98 AromaticContact CE1-CZ 3.25Å; F94-F98 HydrophobicContact CE1-CZ 3.25Å; F94-F98 HydrophobicContact CE2-CD2 4.48Å; F94-F98 AromaticContact CE2-CE2 3.47Å; F94-F98 HydrophobicContact CE2-CE2 3.47Å; F94-F98 VanDerWaalsContact CE2-CE2 3.47Å; F94-F98 HydrophobicContact CE2-CZ 4Å; F94-F98 HydrophobicContact CG-CD2 4.13Å; F94-F98 AromaticContact CG-CE2 3.76Å; F94-F98 HydrophobicContact CG-CE2 3.76Å; F94-F98 HydrophobicContact CG-CZ 4.48Å; F94-F98 HydrophobicContact CZ-CD2 4.5Å; F94-F98 AromaticContact CZ-CE2 3.32Å; F94-F98 HydrophobicContact CZ-CE2 3.32Å; F94-F98 AromaticContact CZ-CZ 3.35Å; F94-F98 HydrophobicContact CZ-CZ 3.35Å; F94-F98 WeakPolarHBondContact O-CB 3.47Å; F94-F98 WeakPolarHBondContact O-CD2 3.48Å; F94-F98 PolarHBondContact O-N 3.18Å; F94-L248 HydrophobicContact CE2-CD1 3.8Å; F94-L248 HydrophobicContact CZ-CD1 3.93Å
95	D	57.3	Low	54.6	Low	109 Å²	109	77.1 Å²	77.1	58%	0.583	41%	0.405	S	S	*	.	H	α-helix	trans	-56.9	-39.8	173.1	-76.7	-15.6	0	0	0	112	S91 A99	S91-D95 PolarHBondContact O-N 2.89Å; D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.35Å
96	K	52.5	Low	52.9	Low	131 Å²	131	78.1 Å²	78.1	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-71.4	-39.8	174.8	-75.4	170.1	-175.2	169.8	0	113	L92 Q93 F94 A99 S100	L92-K96 WeakPolarHBondContact O-CB 3.39Å; L92-K96 WeakPolarHBondContact O-CD 3.26Å; L92-K96 WeakPolarHBondContact O-CG 3.43Å; L92-K96 PolarHBondContact O-N 3.2Å; Q93-K96 PolarHBondContact O-N 3.45Å; F94-K96 VanDerWaalsContact C-N 3.26Å; F94-K96 PolarHBondContact O-N 2.92Å; K96-A99 PolarHBondContact O-N 2.66Å; K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.28Å; K96-S100 PolarHBondContact O-N 3.18Å; K96-S100 PolarHBondContact O-OG 3.09Å
97	Y	54.9	Low	51	Low	99 Å²	99	81.3 Å²	81.3	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-47.9	175.5	-172.3	-94.1	0	0	0	109.6	Q93 F94 S100 Y101	Q93-Y97 VanDerWaalsContact O-CB 3.23Å; Q93-Y97 WeakPolarHBondContact O-CB 3.3Å; Q93-Y97 PolarHBondContact O-N 2.95Å; F94-Y97 PolarHBondContact O-N 3.23Å; F94-Y97 VanDerWaalsContact O-N 3.11Å; Y97-S100 PolarHBondContact O-N 2.97Å; Y97-S100 PolarHBondContact O-OG 3.27Å; Y97-Y101 WeakPolarHBondContact O-CB 3.45Å; Y97-Y101 PolarHBondContact O-N 2.86Å
98	F	53.6	Low	49.5	Very low	74 Å²	74	85 Å²	85	33%	0.325	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-43.8	175.7	-83	-128.2	0	0	0	112.9	F94 S100 Y101 S102 W224	F94-F98 HydrophobicContact CD1-CD2 4.11Å; F94-F98 AromaticContact CD1-CE2 3.59Å; F94-F98 HydrophobicContact CD1-CE2 3.59Å; F94-F98 AromaticContact CD1-CZ 3.87Å; F94-F98 HydrophobicContact CD1-CZ 3.87Å; F94-F98 HydrophobicContact CD2-CD2 4.29Å; F94-F98 AromaticContact CD2-CE2 3.67Å; F94-F98 HydrophobicContact CD2-CE2 3.67Å; F94-F98 HydrophobicContact CE1-CD2 4.29Å; F94-F98 HydrophobicContact CE1-CE1 4.21Å; F94-F98 AromaticContact CE1-CE2 3.36Å; F94-F98 HydrophobicContact CE1-CE2 3.36Å; F94-F98 AromaticContact CE1-CZ 3.25Å; F94-F98 HydrophobicContact CE1-CZ 3.25Å; F94-F98 HydrophobicContact CE2-CD2 4.48Å; F94-F98 AromaticContact CE2-CE2 3.47Å; F94-F98 HydrophobicContact CE2-CE2 3.47Å; F94-F98 VanDerWaalsContact CE2-CE2 3.47Å; F94-F98 HydrophobicContact CE2-CZ 4Å; F94-F98 HydrophobicContact CG-CD2 4.13Å; F94-F98 AromaticContact CG-CE2 3.76Å; F94-F98 HydrophobicContact CG-CE2 3.76Å; F94-F98 HydrophobicContact CG-CZ 4.48Å; F94-F98 HydrophobicContact CZ-CD2 4.5Å; F94-F98 AromaticContact CZ-CE2 3.32Å; F94-F98 HydrophobicContact CZ-CE2 3.32Å; F94-F98 AromaticContact CZ-CZ 3.35Å; F94-F98 HydrophobicContact CZ-CZ 3.35Å; F94-F98 WeakPolarHBondContact O-CB 3.47Å; F94-F98 WeakPolarHBondContact O-CD2 3.48Å; F94-F98 PolarHBondContact O-N 3.18Å; F98-S100 PolarHBondContact O-N 3Å; F98-Y101 PolarHBondContact O-N 2.73Å; F98-S102 WeakPolarHBondContact O-CB 3.25Å; F98-S102 PolarHBondContact O-N 3.26Å; F98-S102 PolarHBondContact O-OG 2.03Å; F98-W224 AromaticContact CE1-CH2 3.48Å; F98-W224 HydrophobicContact CE1-CH2 3.48Å; F98-W224 VanDerWaalsContact CE1-CH2 3.48Å; F98-W224 AromaticContact CE1-CZ2 3.91Å; F98-W224 HydrophobicContact CE1-CZ2 3.91Å; F98-W224 HydrophobicContact CE2-CH2 4.08Å; F98-W224 AromaticContact CE2-CZ2 3.69Å; F98-W224 HydrophobicContact CE2-CZ2 3.69Å; F98-W224 AromaticContact CZ-CH2 3.09Å; F98-W224 HydrophobicContact CZ-CH2 3.09Å; F98-W224 AromaticContact CZ-CZ2 3.17Å; F98-W224 HydrophobicContact CZ-CZ2 3.17Å; F98-W224 HydrophobicContact CZ-CZ3 4.2Å
99	A	47.2	Very low	47.9	Very low	43 Å²	43	89.2 Å²	89.2	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-67.1	-26.9	176.5	0	0	0	0	0	112.2	D95 K96 S102 K103	D95-A99 WeakPolarHBondContact O-CB 3.42Å; D95-A99 PolarHBondContact O-N 3.35Å; K96-A99 PolarHBondContact O-N 2.66Å; A99-S102 PolarHBondContact O-OG 3.09Å; A99-K103 VanDerWaalsContact O-CB 3.28Å; A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 VanDerWaalsContact O-CD 3.31Å; A99-K103 WeakPolarHBondContact O-CD 3.03Å; A99-K103 WeakPolarHBondContact O-CG 3.19Å; A99-K103 PolarHBondContact O-N 3.12Å
100	S	41.9	Very low	46.5	Very low	66 Å²	66	97.9 Å²	97.9	46%	0.462	50%	0.501	S	S	.	.	H	α-helix	trans	-76.7	-41.5	170	79	0	0	0	0	111.4	K96 Y97 F98 K103 M104	K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.28Å; K96-S100 PolarHBondContact O-N 3.18Å; K96-S100 PolarHBondContact O-OG 3.09Å; Y97-S100 PolarHBondContact O-N 2.97Å; Y97-S100 PolarHBondContact O-OG 3.27Å; F98-S100 PolarHBondContact O-N 3Å; S100-K103 PolarHBondContact O-N 2.77Å; S100-M104 WeakPolarHBondContact O-CB 3.33Å; S100-M104 PolarHBondContact O-N 2.74Å
101	Y	41.3	Very low	45.3	Very low	118 Å²	118	105.1 Å²	105.1	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-46.7	178.4	-166.9	-85.6	0	0	0	111.4	Y97 F98 K103 M104 T105	Y97-Y101 WeakPolarHBondContact O-CB 3.45Å; Y97-Y101 PolarHBondContact O-N 2.86Å; F98-Y101 PolarHBondContact O-N 2.73Å; Y101-K103 PolarHBondContact O-N 2.89Å; Y101-M104 CarbonylContact O-C 3.17Å; Y101-M104 PolarHBondContact O-N 3.14Å; Y101-M104 VanDerWaalsContact O-N 3.09Å; Y101-T105 HydrophobicContact CD1-CG2 4.37Å; Y101-T105 HydrophobicContact CE1-CG2 4.05Å; Y101-T105 PolarHBondContact O-N 3.2Å; Y101-T105 PolarHBondContact O-OG1 3.42Å
102	S	37.1	Very low	44.3	Very low	67 Å²	67	106 Å²	106	47%	0.469	55%	0.548	S	S	.	.	H	α-helix	trans	-67.1	-31.8	176.1	65.5	0	0	0	0	113.2	F98 A99 T105 S106	F98-S102 WeakPolarHBondContact O-CB 3.25Å; F98-S102 PolarHBondContact O-N 3.26Å; F98-S102 PolarHBondContact O-OG 2.03Å; A99-S102 PolarHBondContact O-OG 3.09Å; S102-T105 WeakPolarHBondContact CA-OG1 3.47Å; S102-S106 WeakPolarHBondContact O-CB 3.29Å; S102-S106 PolarHBondContact O-N 3.42Å
103	K	39.7	Very low	43.5	Very low	165 Å²	165	109.2 Å²	109.2	72%	0.717	56%	0.561	S	S	*	*	H	α-helix	trans	-72.6	-28.8	169.1	-76.8	175.5	-178.7	175.1	0	113	A99 S100 Y101	A99-K103 VanDerWaalsContact O-CB 3.28Å; A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 VanDerWaalsContact O-CD 3.31Å; A99-K103 WeakPolarHBondContact O-CD 3.03Å; A99-K103 WeakPolarHBondContact O-CG 3.19Å; A99-K103 PolarHBondContact O-N 3.12Å; S100-K103 PolarHBondContact O-N 2.77Å; Y101-K103 PolarHBondContact O-N 2.89Å
104	M	35.5	Very low	43.1	Very low	167 Å²	167	109 Å²	109	82%	0.823	56%	0.564	S	S	*	*	H	α-helix	trans	-84.6	-21.8	178.8	-165.2	150.6	168.8	0	0	112.4	S100 Y101	S100-M104 WeakPolarHBondContact O-CB 3.33Å; S100-M104 PolarHBondContact O-N 2.74Å; Y101-M104 CarbonylContact O-C 3.17Å; Y101-M104 PolarHBondContact O-N 3.14Å; Y101-M104 VanDerWaalsContact O-N 3.09Å
105	T	33.2	Very low	42.9	Very low	96 Å²	96	112 Å²	112	59%	0.589	59%	0.589	S	S	*	*	S	Bend	trans	-91.8	1.3	166.5	49.7	0	0	0	0	114.3	Y101 S102	Y101-T105 HydrophobicContact CD1-CG2 4.37Å; Y101-T105 HydrophobicContact CE1-CG2 4.05Å; Y101-T105 PolarHBondContact O-N 3.2Å; Y101-T105 PolarHBondContact O-OG1 3.42Å; S102-T105 WeakPolarHBondContact CA-OG1 3.47Å
106	S	35.6	Very low	43.6	Very low	62 Å²	62	113.5 Å²	113.5	43%	0.434	59%	0.593	S	S	.	*			trans	-125.8	82.2	172.6	-169.9	0	0	0	0	113.6	S102 Y108	S102-S106 WeakPolarHBondContact O-CB 3.29Å; S102-S106 PolarHBondContact O-N 3.42Å; S106-Y108 VanDerWaalsContact C-N 3.26Å; S106-Y108 PolarHBondContact OG-O 3.3Å
107	P	34.2	Very low	45	Very low	103 Å²	103	110 Å²	110	67%	0.669	58%	0.584	S	S	*	*	S	Bend	trans	-77.1	-16.2	148.4	-5.7	24.2	0	0	0	112
108	Y	36.1	Very low	46.2	Very low	179 Å²	179	109.7 Å²	109.7	70%	0.702	59%	0.589	S	S	*	*	S	Bend	trans	-121.6	123.8	-179.3	-64	-75.8	0	0	0	110.5	S106	S106-Y108 VanDerWaalsContact C-N 3.26Å; S106-Y108 PolarHBondContact OG-O 3.3Å
109	P	35.5	Very low	47.2	Very low	114 Å²	114	106.2 Å²	106.2	74%	0.74	57%	0.573	S	S	*	*	S	Bend	trans	-79.5	134.2	164.7	31.8	-29.2	0	0	0	109.1
110	F	38.8	Very low	48.6	Very low	185 Å²	185	107.4 Å²	107.4	81%	0.811	59%	0.59	S	S	*	*			trans	60.3	76.8	175.4	-119	-95.3	0	0	0	113.5	A112	F110-A112 PolarHBondContact O-N 3.26Å; F110-A112 VanDerWaalsContact O-N 3.17Å
111	E	38.5	Very low	50.2	Low	178 Å²	178	108.6 Å²	108.6	83%	0.832	60%	0.598	S	S	*	*			trans	-58.9	118.5	144.9	-83.6	-173.6	161.3	0	0	106.2	E113	E111-E113 PolarHBondContact O-N 3.28Å; E111-E113 VanDerWaalsContact O-N 3.14Å
112	A	35.9	Very low	52.2	Low	79 Å²	79	104.8 Å²	104.8	65%	0.653	59%	0.587	S	S	*	*			trans	-58.4	121.8	177.8	0	0	0	0	0	108.1	F110 T114	F110-A112 PolarHBondContact O-N 3.26Å; F110-A112 VanDerWaalsContact O-N 3.17Å; A112-T114 PolarHBondContact O-N 3.39Å
113	E	45	Very low	54.4	Low	133 Å²	133	103.6 Å²	103.6	62%	0.621	58%	0.578	S	S	*	*			trans	-51.9	109.8	165.3	-60.6	-179	133.2	0	0	106.8	E111 P115 Q129	E111-E113 PolarHBondContact O-N 3.28Å; E111-E113 VanDerWaalsContact O-N 3.14Å; E113-P115 WeakPolarHBondContact O-CD 3.25Å; E113-Q129 VanDerWaalsContact CG-NE2 3.32Å; E113-Q129 PolarHBondContact OE1-NE2 3.06Å
114	T	50.8	Low	56.3	Low	67 Å²	67	103.1 Å²	103.1	41%	0.411	59%	0.588	S	S	.	*			trans	-71.3	110.4	167	52.6	0	0	0	0	105.6	A112 E116 G130	A112-T114 PolarHBondContact O-N 3.39Å; T114-E116 PolarHBondContact O-N 3.01Å; T114-E116 VanDerWaalsContact O-N 3.15Å; T114-G130 PolarHBondContact O-N 2.86Å
115	P	57.2	Low	58.6	Low	116 Å²	116	101 Å²	101	75%	0.753	58%	0.576	S	S	*	*			trans	-68.4	-11.7	176.8	33.2	-37	0	0	0	110.8	E113	E113-P115 WeakPolarHBondContact O-CD 3.25Å
116	E	71	Confident	61.2	Low	142 Å²	142	97.1 Å²	97.1	66%	0.664	55%	0.553	S	S	*	*	S	Bend	trans	-73.1	124	172.4	-60.4	-173.4	174.2	0	0	110.4	T114 L118 G130	T114-E116 PolarHBondContact O-N 3.01Å; T114-E116 VanDerWaalsContact O-N 3.15Å; E116-L118 PolarHBondContact O-N 3.2Å; E116-G130 PolarHBondContact O-N 2.89Å
117	C	81	Confident	63.6	Low	56 Å²	56	100.1 Å²	100.1	38%	0.378	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-71.4	116.4	172.9	-179.2	0	0	0	0	110.1	V119 C128	C117-V119 PolarHBondContact SG-O 3.46Å; C117-C128 VanDerWaalsContact CA-SG 3.52Å; C117-C128 HydrophobicContact CB-CB 3.68Å; C117-C128 WeakPolarHBondContact CB-SG 3.38Å; C117-C128 WeakPolarHBondContact SG-CB 3.46Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.97Å
118	L	81.2	Confident	66.1	Low	94 Å²	94	96.6 Å²	96.6	49%	0.492	54%	0.541	S	S	.	.			trans	-92	-1.7	175.8	-55.6	175	0	0	0	112	E116 G130 L131 N149	E116-L118 PolarHBondContact O-N 3.2Å; L118-G130 WeakPolarHBondContact CA-O 3.43Å; L118-G130 WeakPolarHBondContact CB-O 3.45Å; L118-G130 PolarHBondContact N-O 2.72Å; L118-L131 HydrophobicContact CB-CD2 3.69Å; L118-L131 HydrophobicContact CB-CG 4.4Å; L118-N149 PolarHBondContact O-ND2 3.14Å
119	V	75.1	Confident	68.4	Low	0 Å²	0	92.5 Å²	92.5	0%	0	53%	0.528	C	S	.	.	S	Bend	trans	-87.2	110.8	171.4	-175.1	0	0	0	0	108.5	C117 V122 V146 V150	C117-V119 PolarHBondContact SG-O 3.46Å; V119-V122 HydrophobicContact CB-CG2 3.92Å; V119-V122 HydrophobicContact CG1-CG2 3.74Å; V119-V122 WeakPolarHBondContact O-CG2 3.39Å; V119-V146 HydrophobicContact CG1-CB 4.31Å; V119-V150 HydrophobicContact CB-CG2 4.27Å; V119-V150 HydrophobicContact CG1-CG2 3.43Å; V119-V150 VanDerWaalsContact CG1-CG2 3.43Å; V119-V150 HydrophobicContact CG2-CG2 3.77Å
120	G	75.9	Confident	70.8	Confident	69 Å²	69	87.6 Å²	87.6	71%	0.711	50%	0.498	S	S	*	.	S	Bend	trans	-44.5	-84.3	-166.9	0	0	0	0	0	117.3
121	S	76.4	Confident	73	Confident	90 Å²	90	81.5 Å²	81.5	63%	0.629	47%	0.474	S	S	*	.	S	Bend	trans	-103	115.7	177.1	61.2	0	0	0	0	110.7
122	V	83.4	Confident	75.4	Confident	39 Å²	39	77.2 Å²	77.2	24%	0.236	45%	0.454	C	S	.	.			trans	-112.4	142.8	-179.2	174.2	0	0	0	0	110.1	V119 C126 C128 L133	V119-V122 HydrophobicContact CB-CG2 3.92Å; V119-V122 HydrophobicContact CG1-CG2 3.74Å; V119-V122 WeakPolarHBondContact O-CG2 3.39Å; V122-C126 HydrophobicContact CG1-CB 3.83Å; V122-C128 HydrophobicContact CG1-CB 4.39Å; V122-C128 HydrophobicContact CG2-CB 4.21Å; V122-L133 HydrophobicContact CG1-CD1 3.52Å; V122-L133 HydrophobicContact CG2-CD1 4.27Å
123	P	83.1	Confident	78	Confident	41 Å²	41	73.6 Å²	73.6	27%	0.266	42%	0.423	S	S	.	.			trans	-61.3	137.8	174.3	-21	32.3	0	0	0	111.6	Q125 C126 P144	P123-Q125 PolarHBondContact O-N 2.94Å; P123-C126 PolarHBondContact O-N 2.97Å; P123-P144 HydrophobicContact CG-CB 3.83Å
124	V	78.9	Confident	80.2	Confident	155 Å²	155	70.3 Å²	70.3	94%	0.939	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-9.1	179.3	-74.3	0	0	0	0	116
125	Q	83.8	Confident	82.2	Confident	122 Å²	122	67.1 Å²	67.1	57%	0.57	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.3	175.9	-67.1	171.6	-14.7	0	0	112.4	P123 T138	P123-Q125 PolarHBondContact O-N 2.94Å; Q125-T138 HydrophobicContact CB-CG2 3.84Å; Q125-T138 WeakPolarHBondContact O-CG2 3.33Å
126	C	87.6	Confident	83.8	Confident	15 Å²	15	63.3 Å²	63.3	10%	0.101	36%	0.364	C	S	.	.	S	Bend	trans	-102.7	146	-176.5	-54.5	0	0	0	0	111.5	V122 P123 L133 D134 C135	V122-C126 HydrophobicContact CG1-CB 3.83Å; P123-C126 PolarHBondContact O-N 2.97Å; C126-L133 HydrophobicContact CB-CD1 3.74Å; C126-D134 CarbonylContact C-O 3.05Å; C126-D134 WeakPolarHBondContact CA-O 3.2Å; C126-D134 VanDerWaalsContact CB-O 3.23Å; C126-D134 WeakPolarHBondContact CB-O 3.39Å; C126-C135 HydrophobicContact CB-CB 4.01Å; C126-C135 WeakPolarHBondContact CB-SG 3.45Å; C126-C135 WeakPolarHBondContact SG-CB 3.19Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 2.92Å
127	L	86.6	Confident	84.7	Confident	126 Å²	126	63.2 Å²	63.2	66%	0.66	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	152.3	167.5	-60.6	173.4	0	0	0	109.7	D134	L127-D134 HydrophobicContact CB-CB 4.29Å; L127-D134 PolarHBondContact N-O 3.34Å; L127-D134 PolarHBondContact O-N 3.19Å
128	C	86.8	Confident	85.1	Confident	28 Å²	28	61.7 Å²	61.7	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.5	-179	173.8	0	0	0	0	109.6	C117 V122 E132	C117-C128 VanDerWaalsContact CA-SG 3.52Å; C117-C128 HydrophobicContact CB-CB 3.68Å; C117-C128 WeakPolarHBondContact CB-SG 3.38Å; C117-C128 WeakPolarHBondContact SG-CB 3.46Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.97Å; V122-C128 HydrophobicContact CG1-CB 4.39Å; V122-C128 HydrophobicContact CG2-CB 4.21Å; C128-E132 WeakPolarHBondContact CA-O 3.26Å
129	Q	84.1	Confident	85.6	Confident	94 Å²	94	62.4 Å²	62.4	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	109.3	-177.4	-176.7	173	-27.8	0	0	108.6	E113 L131 E132	E113-Q129 VanDerWaalsContact CG-NE2 3.32Å; E113-Q129 PolarHBondContact OE1-NE2 3.06Å; Q129-L131 PolarHBondContact O-N 3.01Å; Q129-E132 PolarHBondContact N-O 3.33Å; Q129-E132 PolarHBondContact O-N 2.89Å
130	G	85.4	Confident	86.4	Confident	10 Å²	10	63.7 Å²	63.7	10%	0.103	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	56.8	-109.9	-170.1	0	0	0	0	0	112	T114 E116 L118	T114-G130 PolarHBondContact O-N 2.86Å; E116-G130 PolarHBondContact O-N 2.89Å; L118-G130 WeakPolarHBondContact CA-O 3.43Å; L118-G130 WeakPolarHBondContact CB-O 3.45Å; L118-G130 PolarHBondContact N-O 2.72Å
131	L	86.4	Confident	87.2	Confident	57 Å²	57	70.2 Å²	70.2	30%	0.298	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	4.9	178.5	-60.9	175.2	0	0	0	113.7	L118 Q129 N149 T151	L118-L131 HydrophobicContact CB-CD2 3.69Å; L118-L131 HydrophobicContact CB-CG 4.4Å; Q129-L131 PolarHBondContact O-N 3.01Å; L131-N149 HydrophobicContact CD2-CB 4.41Å; L131-N149 VanDerWaalsContact CD2-ND2 3.3Å; L131-N149 WeakPolarHBondContact CD2-ND2 3.05Å; L131-T151 HydrophobicContact CB-CG2 4.04Å; L131-T151 WeakPolarHBondContact CB-OG1 3.46Å; L131-T151 HydrophobicContact CD1-CG2 3.98Å; L131-T151 PolarHBondContact O-N 3.08Å; L131-T151 PolarHBondContact O-OG1 2.82Å
132	E	88.1	Confident	87.9	Confident	88 Å²	88	68.8 Å²	68.8	41%	0.411	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.9	175.2	-53.3	-152.1	143.7	0	0	110.1	C128 Q129 A152 K176	C128-E132 WeakPolarHBondContact CA-O 3.26Å; Q129-E132 PolarHBondContact N-O 3.33Å; Q129-E132 PolarHBondContact O-N 2.89Å; E132-A152 HydrophobicContact CB-CB 4.04Å; E132-A152 HydrophobicContact CG-CB 3.74Å; E132-A152 WeakPolarHBondContact OE1-CB 3.41Å; E132-K176 IonicContact OE1-NZ 3.53Å; E132-K176 PolarHBondContact OE1-NZ 2.94Å
133	L	91.4	Very high	88.4	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	179.4	175.3	69	0	0	0	109.6	V122 C126 V146 V150 A152 M153 S154	V122-L133 HydrophobicContact CG1-CD1 3.52Å; V122-L133 HydrophobicContact CG2-CD1 4.27Å; C126-L133 HydrophobicContact CB-CD1 3.74Å; L133-V146 HydrophobicContact CD2-CB 4.35Å; L133-V146 HydrophobicContact CD2-CG1 3.78Å; L133-V146 HydrophobicContact CD2-CG2 3.9Å; L133-V150 HydrophobicContact CB-CG1 4.14Å; L133-A152 PolarHBondContact N-O 2.8Å; L133-M153 HydrophobicContact CD2-CE 4.17Å; L133-M153 HydrophobicContact CD2-CG 4.29Å; L133-M153 WeakPolarHBondContact O-CA 3.45Å; L133-S154 PolarHBondContact O-N 2.86Å
134	D	91.3	Very high	88.7	Confident	65 Å²	65	66.9 Å²	66.9	35%	0.348	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	176	178	-4.8	0	0	0	109.7	C126 L127 D136	C126-D134 CarbonylContact C-O 3.05Å; C126-D134 WeakPolarHBondContact CA-O 3.2Å; C126-D134 VanDerWaalsContact CB-O 3.23Å; C126-D134 WeakPolarHBondContact CB-O 3.39Å; L127-D134 HydrophobicContact CB-CB 4.29Å; L127-D134 PolarHBondContact N-O 3.34Å; L127-D134 PolarHBondContact O-N 3.19Å; D134-D136 VanDerWaalsContact OD1-CB 3.22Å; D134-D136 WeakPolarHBondContact OD1-CB 3.36Å; D134-D136 PolarHBondContact OD1-N 3.21Å
135	C	91.9	Very high	89.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.34	C	S	.	.			trans	-122	34.3	178.8	-66.4	0	0	0	0	111.3	C126 T138 L140 S154 L155 N158	C126-C135 HydrophobicContact CB-CB 4.01Å; C126-C135 WeakPolarHBondContact CB-SG 3.45Å; C126-C135 WeakPolarHBondContact SG-CB 3.19Å; C126-C135 CovalentContact SG-SG 2.04Å; C126-C135 PolarHBondContact SG-SG 2.92Å; C135-T138 WeakPolarHBondContact O-CG2 3.36Å; C135-T138 PolarHBondContact O-OG1 2.89Å; C135-L140 HydrophobicContact CB-CD1 3.81Å; C135-S154 WeakPolarHBondContact CB-O 3.28Å; C135-S154 PolarHBondContact N-O 3.26Å; C135-L155 HydrophobicContact CB-CD2 3.75Å; C135-N158 PolarHBondContact O-ND2 3.44Å
136	D	90.4	Very high	89.4	Confident	36 Å²	36	59.9 Å²	59.9	19%	0.193	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	144.5	-169.3	-63.7	-17.7	0	0	0	113.3	D134 T138 S154 L155 Q156	D134-D136 VanDerWaalsContact OD1-CB 3.22Å; D134-D136 WeakPolarHBondContact OD1-CB 3.36Å; D134-D136 PolarHBondContact OD1-N 3.21Å; D136-T138 WeakPolarHBondContact O-CG2 3.38Å; D136-T138 PolarHBondContact O-N 2.79Å; D136-S154 VanDerWaalsContact CG-OG 3.24Å; D136-S154 VanDerWaalsContact OD1-C 3.29Å; D136-S154 WeakPolarHBondContact OD1-CB 3.31Å; D136-S154 PolarHBondContact OD1-OG 2.82Å; D136-S154 PolarHBondContact OD2-OG 2.89Å; D136-L155 PolarHBondContact OD1-N 3.3Å; D136-Q156 HydrophobicContact CB-CG 3.97Å; D136-Q156 WeakPolarHBondContact OD1-CG 3.5Å; D136-Q156 PolarHBondContact OD1-N 3.26Å; D136-Q156 VanDerWaalsContact OD2-CD 3.31Å; D136-Q156 WeakPolarHBondContact OD2-CG 3.26Å; D136-Q156 PolarHBondContact OD2-NE2 2.95Å
137	E	90.4	Very high	89.4	Confident	140 Å²	140	61 Å²	61	65%	0.654	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	9	-177.4	-62.6	-173.6	-157.7	0	0	116.4	N139 Q156 W157	E137-N139 PolarHBondContact O-N 3.35Å; E137-N139 VanDerWaalsContact O-N 3.07Å; E137-N139 PolarHBondContact O-ND2 3.48Å; E137-Q156 PolarHBondContact N-O 3.2Å; E137-W157 HydrophobicContact CG-CB 3.57Å; E137-W157 HydrophobicContact CG-CG 4.16Å
138	T	89.3	Confident	89.4	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.147	32%	0.317	C	S	.	.	S	Bend	trans	-74.2	4.3	-175.3	56.9	0	0	0	0	115.8	Q125 C135 D136 L140 N158	Q125-T138 HydrophobicContact CB-CG2 3.84Å; Q125-T138 WeakPolarHBondContact O-CG2 3.33Å; C135-T138 WeakPolarHBondContact O-CG2 3.36Å; C135-T138 PolarHBondContact O-OG1 2.89Å; D136-T138 WeakPolarHBondContact O-CG2 3.38Å; D136-T138 PolarHBondContact O-N 2.79Å; T138-L140 PolarHBondContact O-N 2.73Å; T138-L140 WeakPolarHBondContact OG1-CD1 3.21Å; T138-L140 WeakPolarHBondContact OG1-CG 3.32Å; T138-N158 PolarHBondContact N-OD1 2.89Å; T138-N158 PolarHBondContact OG1-OD1 2.95Å; T138-N158 VanDerWaalsContact OG1-OD1 3.1Å
139	N	91.5	Very high	89.5	Confident	108 Å²	108	59.1 Å²	59.1	58%	0.578	32%	0.321	S	S	*	.			trans	58.7	22.4	-177.3	-71.2	-88.4	0	0	0	115.1	E137 N158 L159	E137-N139 PolarHBondContact O-N 3.35Å; E137-N139 VanDerWaalsContact O-N 3.07Å; E137-N139 PolarHBondContact O-ND2 3.48Å; N139-N158 PolarHBondContact N-OD1 2.81Å; N139-L159 HydrophobicContact CB-CD1 4.03Å
140	L	91.7	Very high	89.8	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.147	30%	0.3	C	S	.	.			trans	-58.2	136.6	179.3	-74.3	167.8	0	0	0	112.1	C135 T138 P144 L155 N158 L159 I160	C135-L140 HydrophobicContact CB-CD1 3.81Å; T138-L140 PolarHBondContact O-N 2.73Å; T138-L140 WeakPolarHBondContact OG1-CD1 3.21Å; T138-L140 WeakPolarHBondContact OG1-CG 3.32Å; L140-P144 HydrophobicContact CD1-CG 4.43Å; L140-L155 HydrophobicContact CD1-CD2 3.83Å; L140-N158 HydrophobicContact CB-CB 4.31Å; L140-N158 PolarHBondContact N-OD1 3.01Å; L140-L159 CarbonylContact O-C 3.31Å; L140-L159 VanDerWaalsContact O-CA 3.25Å; L140-L159 WeakPolarHBondContact O-CA 3.49Å; L140-L159 WeakPolarHBondContact O-CB 3.49Å; L140-L159 PolarHBondContact O-N 3.33Å; L140-I160 PolarHBondContact O-N 3.47Å
141	R	92.9	Very high	90.1	Very high	205 Å²	205	55.7 Å²	55.7	77%	0.774	30%	0.304	S	S	*	.	S	Bend	trans	-99.9	-12.3	178.5	-62.5	-177.1	-178.7	-173.2	2	113.5	L159	R141-L159 HydrophobicContact CG-CB 4.33Å
142	A	91.9	Very high	90.3	Very high	60 Å²	60	53.2 Å²	53.2	50%	0.496	29%	0.292	S	S	.	.	S	Bend	trans	-150.1	164.5	-179.2	0	0	0	0	0	109.5
143	V	92.3	Very high	90.6	Very high	25 Å²	25	49 Å²	49	15%	0.152	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.6	132.1	174.7	-179.9	0	0	0	0	109.5	M153 L155 L163 F168	V143-M153 HydrophobicContact CG1-SD 4.36Å; V143-L155 HydrophobicContact CG1-CD1 4.22Å; V143-L155 HydrophobicContact CG2-CD1 4.38Å; V143-L163 HydrophobicContact CG2-CD2 4.09Å; V143-F168 HydrophobicContact CB-CE1 4.43Å; V143-F168 HydrophobicContact CG1-CD1 4.17Å; V143-F168 HydrophobicContact CG1-CE1 3.55Å; V143-F168 HydrophobicContact CG1-CZ 4.08Å; V143-F168 HydrophobicContact CG2-CE1 3.97Å; V143-F168 HydrophobicContact CG2-CE2 4.32Å; V143-F168 HydrophobicContact CG2-CZ 3.59Å
144	P	90.2	Very high	90.7	Very high	15 Å²	15	49.6 Å²	49.6	10%	0.097	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-73.5	150.8	176.3	30.1	-33.6	0	0	0	111.9	P123 L140 L155 Y171	P123-P144 HydrophobicContact CG-CB 3.83Å; L140-P144 HydrophobicContact CD1-CG 4.43Å; P144-L155 VanDerWaalsContact CD-CD2 3.47Å; P144-L155 HydrophobicContact CG-CD2 3.93Å; P144-Y171 PolarHBondContact O-OH 2.99Å
145	S	88	Confident	90.8	Very high	111 Å²	111	46.5 Å²	46.5	78%	0.776	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-88.8	119.6	171.4	-58.4	0	0	0	0	109.8
146	V	88.5	Confident	90.9	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.121	27%	0.271	C	S	.	.			trans	-134.2	-179.5	180	-66.6	0	0	0	0	110.9	V119 L133 V150 M153 Y171	V119-V146 HydrophobicContact CG1-CB 4.31Å; L133-V146 HydrophobicContact CD2-CB 4.35Å; L133-V146 HydrophobicContact CD2-CG1 3.78Å; L133-V146 HydrophobicContact CD2-CG2 3.9Å; V146-V150 HydrophobicContact CG2-CG2 3.89Å; V146-M153 HydrophobicContact CG2-CE 3.72Å; V146-Y171 HydrophobicContact CG2-CE1 3.65Å; V146-Y171 PolarHBondContact N-OH 2.87Å; V146-Y171 VanDerWaalsContact N-OH 3.09Å
147	S	87.8	Confident	91	Very high	38 Å²	38	53.5 Å²	53.5	27%	0.266	29%	0.286	S	S	.	.			trans	-62.8	151.7	176.9	-175	0	0	0	0	112.3	N149 V150 Y171	S147-N149 VanDerWaalsContact C-N 3.28Å; S147-N149 WeakPolarHBondContact CB-OD1 3.25Å; S147-N149 PolarHBondContact O-N 3.49Å; S147-N149 PolarHBondContact OG-OD1 3.14Å; S147-V150 WeakPolarHBondContact O-CG2 3.33Å; S147-Y171 WeakPolarHBondContact O-CE1 3.43Å
148	S	86.6	Confident	91.3	Very high	66 Å²	66	47 Å²	47	46%	0.462	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.4	-175.4	52.2	0	0	0	0	114.8	V150 N170	S148-V150 VanDerWaalsContact C-N 3.3Å; S148-V150 PolarHBondContact O-N 2.92Å; S148-N170 WeakPolarHBondContact CB-O 3.48Å
149	N	88.7	Confident	91.6	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.262	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	-175.3	66.2	-35.2	0	0	0	115	L118 L131 S147 T151	L118-N149 PolarHBondContact O-ND2 3.14Å; L131-N149 HydrophobicContact CD2-CB 4.41Å; L131-N149 VanDerWaalsContact CD2-ND2 3.3Å; L131-N149 WeakPolarHBondContact CD2-ND2 3.05Å; S147-N149 VanDerWaalsContact C-N 3.28Å; S147-N149 WeakPolarHBondContact CB-OD1 3.25Å; S147-N149 PolarHBondContact O-N 3.49Å; S147-N149 PolarHBondContact OG-OD1 3.14Å; N149-T151 PolarHBondContact O-N 3.3Å
150	V	90.8	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.			trans	-68.2	126	179.6	176.1	0	0	0	0	110.7	V119 L133 V146 S147 S148 A152 M153 L174	V119-V150 HydrophobicContact CB-CG2 4.27Å; V119-V150 HydrophobicContact CG1-CG2 3.43Å; V119-V150 VanDerWaalsContact CG1-CG2 3.43Å; V119-V150 HydrophobicContact CG2-CG2 3.77Å; L133-V150 HydrophobicContact CB-CG1 4.14Å; V146-V150 HydrophobicContact CG2-CG2 3.89Å; S147-V150 WeakPolarHBondContact O-CG2 3.33Å; S148-V150 VanDerWaalsContact C-N 3.3Å; S148-V150 PolarHBondContact O-N 2.92Å; V150-A152 WeakPolarHBondContact CG1-O 3.31Å; V150-M153 HydrophobicContact CG1-CB 4.27Å; V150-M153 HydrophobicContact CG1-CE 4.3Å; V150-L174 HydrophobicContact CG1-CD1 3.95Å; V150-L174 WeakPolarHBondContact O-CA 3.43Å; V150-L174 PolarHBondContact O-N 3.12Å
151	T	91.3	Very high	92	Very high	32 Å²	32	49.8 Å²	49.8	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	-97.9	-26.2	-179.5	56.5	0	0	0	0	113	L131 N149 Q175 K176	L131-T151 HydrophobicContact CB-CG2 4.04Å; L131-T151 WeakPolarHBondContact CB-OG1 3.46Å; L131-T151 HydrophobicContact CD1-CG2 3.98Å; L131-T151 PolarHBondContact O-N 3.08Å; L131-T151 PolarHBondContact O-OG1 2.82Å; N149-T151 PolarHBondContact O-N 3.3Å; T151-Q175 PolarHBondContact O-N 2.72Å; T151-K176 PolarHBondContact O-N 2.84Å
152	A	91.8	Very high	92.1	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.8	171.5	0	0	0	0	0	111	E132 L133 V150 K176	E132-A152 HydrophobicContact CB-CB 4.04Å; E132-A152 HydrophobicContact CG-CB 3.74Å; E132-A152 WeakPolarHBondContact OE1-CB 3.41Å; L133-A152 PolarHBondContact N-O 2.8Å; V150-A152 WeakPolarHBondContact CG1-O 3.31Å; A152-K176 WeakPolarHBondContact CA-O 3.43Å; A152-K176 HydrophobicContact CB-CB 3.97Å; A152-K176 HydrophobicContact CB-CD 4Å; A152-K176 HydrophobicContact CB-CG 4.33Å
153	M	93.7	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	113.5	179.8	-177.5	176.8	-64.9	0	0	110.1	L133 V143 V146 V150 L155 F168 Y171 L174 K176 L177 Y178	L133-M153 HydrophobicContact CD2-CE 4.17Å; L133-M153 HydrophobicContact CD2-CG 4.29Å; L133-M153 WeakPolarHBondContact O-CA 3.45Å; V143-M153 HydrophobicContact CG1-SD 4.36Å; V146-M153 HydrophobicContact CG2-CE 3.72Å; V150-M153 HydrophobicContact CG1-CB 4.27Å; V150-M153 HydrophobicContact CG1-CE 4.3Å; M153-L155 HydrophobicContact CG-CD1 3.97Å; M153-L155 HydrophobicContact CG-CG 4.05Å; M153-L155 HydrophobicContact SD-CD1 3.75Å; M153-L155 HydrophobicContact SD-CG 4.42Å; M153-F168 HydrophobicContact SD-CE1 4.06Å; M153-Y171 HydrophobicContact CE-CD2 4.32Å; M153-Y171 HydrophobicContact CE-CE1 4.36Å; M153-Y171 HydrophobicContact CE-CE2 4.04Å; M153-L174 HydrophobicContact CB-CD1 3.78Å; M153-K176 PolarHBondContact N-O 2.78Å; M153-L177 HydrophobicContact CB-CD1 4.15Å; M153-L177 HydrophobicContact CG-CD1 4.28Å; M153-L177 HydrophobicContact SD-CD1 4.36Å; M153-Y178 PolarHBondContact O-N 2.04Å
154	S	94	Very high	92.4	Very high	15 Å²	15	46 Å²	46	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127	171.4	-153.8	0	0	0	0	111.5	L133 C135 D136	L133-S154 PolarHBondContact O-N 2.86Å; C135-S154 WeakPolarHBondContact CB-O 3.28Å; C135-S154 PolarHBondContact N-O 3.26Å; D136-S154 VanDerWaalsContact CG-OG 3.24Å; D136-S154 VanDerWaalsContact OD1-C 3.29Å; D136-S154 WeakPolarHBondContact OD1-CB 3.31Å; D136-S154 PolarHBondContact OD1-OG 2.82Å; D136-S154 PolarHBondContact OD2-OG 2.89Å
155	L	94.3	Very high	92.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.			trans	-136.2	26.9	-179.9	-70.3	166.6	0	0	0	110.4	C135 D136 L140 V143 P144 M153 N158 I160 Y178 L179 N182	C135-L155 HydrophobicContact CB-CD2 3.75Å; D136-L155 PolarHBondContact OD1-N 3.3Å; L140-L155 HydrophobicContact CD1-CD2 3.83Å; V143-L155 HydrophobicContact CG1-CD1 4.22Å; V143-L155 HydrophobicContact CG2-CD1 4.38Å; P144-L155 VanDerWaalsContact CD-CD2 3.47Å; P144-L155 HydrophobicContact CG-CD2 3.93Å; M153-L155 HydrophobicContact CG-CD1 3.97Å; M153-L155 HydrophobicContact CG-CG 4.05Å; M153-L155 HydrophobicContact SD-CD1 3.75Å; M153-L155 HydrophobicContact SD-CG 4.42Å; L155-N158 VanDerWaalsContact C-ND2 3.34Å; L155-N158 PolarHBondContact O-ND2 2.9Å; L155-N158 VanDerWaalsContact O-ND2 3.08Å; L155-I160 HydrophobicContact CB-CD1 4.29Å; L155-I160 HydrophobicContact CD1-CD1 4.44Å; L155-Y178 PolarHBondContact N-O 3.02Å; L155-L179 HydrophobicContact CB-CD2 3.97Å; L155-L179 HydrophobicContact CD1-CD2 3.89Å; L155-N182 PolarHBondContact O-ND2 3.19Å
156	Q	92.1	Very high	92.9	Very high	49 Å²	49	46 Å²	46	23%	0.229	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	163.1	-175.6	54.2	169.3	-0	0	0	112.7	D136 E137 N158 Q180	D136-Q156 HydrophobicContact CB-CG 3.97Å; D136-Q156 WeakPolarHBondContact OD1-CG 3.5Å; D136-Q156 PolarHBondContact OD1-N 3.26Å; D136-Q156 VanDerWaalsContact OD2-CD 3.31Å; D136-Q156 WeakPolarHBondContact OD2-CG 3.26Å; D136-Q156 PolarHBondContact OD2-NE2 2.95Å; E137-Q156 PolarHBondContact N-O 3.2Å; Q156-N158 PolarHBondContact O-N 3.47Å; Q156-N158 PolarHBondContact O-ND2 3.46Å; Q156-N158 VanDerWaalsContact O-ND2 3.07Å; Q156-Q180 VanDerWaalsContact CA-O 3.26Å; Q156-Q180 WeakPolarHBondContact CA-O 3.49Å; Q156-Q180 HydrophobicContact CB-CG 3.77Å; Q156-Q180 WeakPolarHBondContact CB-O 3.44Å
157	W	93.9	Very high	93.1	Very high	133 Å²	133	46.6 Å²	46.6	50%	0.504	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	30.2	178.5	-59.1	104.9	0	0	0	114.6	E137 Q180 N181	E137-W157 HydrophobicContact CG-CB 3.57Å; E137-W157 HydrophobicContact CG-CG 4.16Å; W157-Q180 PolarHBondContact N-O 2.91Å; W157-N181 VanDerWaalsContact CA-O 3.3Å; W157-N181 WeakPolarHBondContact CA-O 3.38Å; W157-N181 HydrophobicContact CD2-CB 3.51Å; W157-N181 VanDerWaalsContact CE2-ND2 3.35Å; W157-N181 HydrophobicContact CE3-CB 3.51Å; W157-N181 HydrophobicContact CG-CB 4.04Å; W157-N181 HydrophobicContact CH2-CB 4.17Å; W157-N181 HydrophobicContact CZ2-CB 4.19Å; W157-N181 WeakPolarHBondContact CZ2-ND2 3.39Å; W157-N181 HydrophobicContact CZ3-CB 3.84Å; W157-N181 PolarHBondContact N-O 3.27Å
158	N	95.5	Very high	93.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.226	C	C	.	.	S	Bend	trans	-105.4	-176.8	-177.4	-84.2	-59.1	0	0	0	112.9	C135 T138 N139 L140 L155 Q156 I160 N182	C135-N158 PolarHBondContact O-ND2 3.44Å; T138-N158 PolarHBondContact N-OD1 2.89Å; T138-N158 PolarHBondContact OG1-OD1 2.95Å; T138-N158 VanDerWaalsContact OG1-OD1 3.1Å; N139-N158 PolarHBondContact N-OD1 2.81Å; L140-N158 HydrophobicContact CB-CB 4.31Å; L140-N158 PolarHBondContact N-OD1 3.01Å; L155-N158 VanDerWaalsContact C-ND2 3.34Å; L155-N158 PolarHBondContact O-ND2 2.9Å; L155-N158 VanDerWaalsContact O-ND2 3.08Å; Q156-N158 PolarHBondContact O-N 3.47Å; Q156-N158 PolarHBondContact O-ND2 3.46Å; Q156-N158 VanDerWaalsContact O-ND2 3.07Å; N158-I160 HydrophobicContact CB-CG1 4.3Å; N158-N182 WeakPolarHBondContact CA-OD1 3.5Å; N158-N182 WeakPolarHBondContact CB-OD1 3.41Å; N158-N182 PolarHBondContact O-OD1 3.42Å
159	L	95.9	Very high	93.7	Very high	44 Å²	44	46.3 Å²	46.3	23%	0.23	22%	0.224	C	C	.	.			trans	-108.2	19.4	-175.7	-60.3	179.6	0	0	0	112.7	N139 L140 R141 R161 K183	N139-L159 HydrophobicContact CB-CD1 4.03Å; L140-L159 CarbonylContact O-C 3.31Å; L140-L159 VanDerWaalsContact O-CA 3.25Å; L140-L159 WeakPolarHBondContact O-CA 3.49Å; L140-L159 WeakPolarHBondContact O-CB 3.49Å; L140-L159 PolarHBondContact O-N 3.33Å; R141-L159 HydrophobicContact CG-CB 4.33Å; L159-R161 PolarHBondContact O-N 3.01Å; L159-K183 HydrophobicContact CD2-CD 4Å
160	I	96.2	Very high	93.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.			trans	-64.3	125.5	-177.3	-55.6	173.6	0	0	0	109.2	L140 L155 N158 L163 L179 N182 K183 I184	L140-I160 PolarHBondContact O-N 3.47Å; L155-I160 HydrophobicContact CB-CD1 4.29Å; L155-I160 HydrophobicContact CD1-CD1 4.44Å; N158-I160 HydrophobicContact CB-CG1 4.3Å; I160-L163 HydrophobicContact CG2-CD2 4.21Å; I160-L179 HydrophobicContact CD1-CD2 4.21Å; I160-N182 VanDerWaalsContact CB-OD1 3.25Å; I160-N182 WeakPolarHBondContact CB-OD1 3.35Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.45Å; I160-N182 PolarHBondContact N-OD1 2.71Å; I160-K183 CarbonylContact O-C 3.34Å; I160-K183 VanDerWaalsContact O-CA 3.31Å; I160-K183 WeakPolarHBondContact O-CA 3.5Å; I160-K183 PolarHBondContact O-N 3.02Å; I160-I184 HydrophobicContact CB-CG1 4.4Å; I160-I184 HydrophobicContact CG2-CG1 4.16Å; I160-I184 PolarHBondContact O-N 3.45Å; I160-I184 VanDerWaalsContact O-N 3.09Å
161	R	95.3	Very high	93.8	Very high	175 Å²	175	49.7 Å²	49.7	66%	0.66	24%	0.242	S	C	*	.			trans	-103.8	-26	-176.6	-64.4	-172	-176.3	-171.6	0.4	114.8	L159 K183 I184 T185	L159-R161 PolarHBondContact O-N 3.01Å; R161-K183 WeakPolarHBondContact CA-O 3.25Å; R161-K183 HydrophobicContact CG-CB 4.3Å; R161-I184 WeakPolarHBondContact O-CA 3.46Å; R161-T185 PolarHBondContact O-N 3.12Å; R161-T185 PolarHBondContact O-OG1 2.94Å
162	K	95.4	Very high	93.9	Very high	135 Å²	135	52.6 Å²	52.6	59%	0.587	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.4	-174.2	-59	-170.4	173.8	178.6	0	109.8	P164 S186	K162-P164 WeakPolarHBondContact O-CD 3.46Å; K162-S186 WeakPolarHBondContact CA-O 3.41Å; K162-S186 WeakPolarHBondContact CG-OG 3.39Å
163	L	96.2	Very high	93.9	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.2	167.6	-60	179.6	0	0	0	108.7	V143 I160 F168 L179 I184 S186 I187 S188 A191 F192	V143-L163 HydrophobicContact CG2-CD2 4.09Å; I160-L163 HydrophobicContact CG2-CD2 4.21Å; L163-F168 HydrophobicContact CD1-CE2 4.42Å; L163-F168 HydrophobicContact CD2-CE2 4.23Å; L163-F168 HydrophobicContact CD2-CZ 4.45Å; L163-L179 HydrophobicContact CD1-CD1 4.02Å; L163-L179 HydrophobicContact CD2-CD1 4.49Å; L163-I184 HydrophobicContact CD1-CD1 4.4Å; L163-I184 HydrophobicContact CD2-CD1 4.35Å; L163-I184 HydrophobicContact CG-CD1 4.32Å; L163-I184 HydrophobicContact CG-CG2 4.44Å; L163-S186 PolarHBondContact N-O 3.03Å; L163-I187 HydrophobicContact CB-CG2 4.31Å; L163-I187 HydrophobicContact CD1-CD1 4.12Å; L163-I187 HydrophobicContact CD1-CG1 4.04Å; L163-I187 HydrophobicContact CD1-CG2 4.24Å; L163-I187 HydrophobicContact CG-CG1 4.43Å; L163-S188 WeakPolarHBondContact O-CB 3.48Å; L163-S188 PolarHBondContact O-N 3.37Å; L163-S188 VanDerWaalsContact O-N 3.07Å; L163-A191 HydrophobicContact CB-CB 3.91Å; L163-F192 HydrophobicContact CD1-CE1 3.88Å; L163-F192 HydrophobicContact CD1-CZ 3.66Å
164	P	94.9	Very high	93.9	Very high	71 Å²	71	56.6 Å²	56.6	46%	0.461	27%	0.274	S	S	.	.			trans	-69.9	164.7	178.7	24.1	-24.7	0	0	0	111.7	K162 C167	K162-P164 WeakPolarHBondContact O-CD 3.46Å; P164-C167 HydrophobicContact CG-CB 3.98Å; P164-C167 PolarHBondContact O-SG 3.46Å
165	P	94.8	Very high	93.9	Very high	68 Å²	68	60.1 Å²	60.1	44%	0.442	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	147.7	173.8	27.1	-35.4	0	0	0	111.5	C167	P165-C167 PolarHBondContact O-N 3.22Å
166	D	93.6	Very high	93.8	Very high	58 Å²	58	63 Å²	63	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	14.4	173.2	-57.1	-69.7	0	0	0	115.4	F168 K169 Y190 R193	D166-F168 PolarHBondContact O-N 3.03Å; D166-K169 HydrophobicContact CB-CB 4Å; D166-K169 HydrophobicContact CB-CD 3.94Å; D166-K169 WeakPolarHBondContact O-CB 3.21Å; D166-K169 PolarHBondContact O-N 3.48Å; D166-K169 VanDerWaalsContact O-N 3.08Å; D166-Y190 PolarHBondContact N-O 2.97Å; D166-R193 VanDerWaalsContact OD1-CD 3.25Å; D166-R193 WeakPolarHBondContact OD1-CD 3.45Å; D166-R193 IonicContact OD1-NH1 3.94Å
167	C	93.5	Very high	94	Very high	33 Å²	33	60.7 Å²	60.7	22%	0.223	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.4	-175.6	59.7	0	0	0	0	114.9	P164 P165	P164-C167 HydrophobicContact CG-CB 3.98Å; P164-C167 PolarHBondContact O-SG 3.46Å; P165-C167 PolarHBondContact O-N 3.22Å
168	F	94.3	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	8.2	173.7	-61.4	-72.9	0	0	0	113.9	V143 M153 L163 D166 N170 Y171 L177 L179 A191 F192 L195	V143-F168 HydrophobicContact CB-CE1 4.43Å; V143-F168 HydrophobicContact CG1-CD1 4.17Å; V143-F168 HydrophobicContact CG1-CE1 3.55Å; V143-F168 HydrophobicContact CG1-CZ 4.08Å; V143-F168 HydrophobicContact CG2-CE1 3.97Å; V143-F168 HydrophobicContact CG2-CE2 4.32Å; V143-F168 HydrophobicContact CG2-CZ 3.59Å; M153-F168 HydrophobicContact SD-CE1 4.06Å; L163-F168 HydrophobicContact CD1-CE2 4.42Å; L163-F168 HydrophobicContact CD2-CE2 4.23Å; L163-F168 HydrophobicContact CD2-CZ 4.45Å; D166-F168 PolarHBondContact O-N 3.03Å; F168-N170 PolarHBondContact O-N 3.38Å; F168-Y171 HydrophobicContact CB-CD2 4.08Å; F168-Y171 AromaticContact CD1-CD2 3.95Å; F168-Y171 HydrophobicContact CD1-CD2 3.95Å; F168-Y171 HydrophobicContact CD1-CE2 4.14Å; F168-Y171 WeakPolarHBondContact O-CD2 3.3Å; F168-Y171 PolarHBondContact O-N 3.34Å; F168-L177 HydrophobicContact CD1-CD2 4.31Å; F168-L177 HydrophobicContact CD2-CD2 4.34Å; F168-L177 HydrophobicContact CE1-CD1 3.93Å; F168-L177 HydrophobicContact CE1-CD2 3.94Å; F168-L177 HydrophobicContact CE2-CD2 3.98Å; F168-L177 HydrophobicContact CZ-CD1 4.15Å; F168-L177 HydrophobicContact CZ-CD2 3.77Å; F168-L179 HydrophobicContact CE2-CD1 4.47Å; F168-L179 HydrophobicContact CZ-CD1 4.18Å; F168-A191 WeakPolarHBondContact CD2-O 3.48Å; F168-F192 HydrophobicContact CD2-CD1 4.02Å; F168-F192 HydrophobicContact CD2-CE1 4.38Å; F168-F192 HydrophobicContact CE2-CD1 4.2Å; F168-F192 HydrophobicContact CE2-CE1 4.08Å; F168-L195 HydrophobicContact CB-CD1 3.74Å; F168-L195 HydrophobicContact CB-CD2 3.9Å; F168-L195 HydrophobicContact CB-CG 3.88Å; F168-L195 HydrophobicContact CD2-CD1 4.37Å; F168-L195 HydrophobicContact CG-CD1 4.11Å
169	K	91.5	Very high	94.1	Very high	98 Å²	98	56.9 Å²	56.9	43%	0.426	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.9	-166.5	-179.7	177.6	175.9	-178.1	0	115.4	D166 H172 R193	D166-K169 HydrophobicContact CB-CB 4Å; D166-K169 HydrophobicContact CB-CD 3.94Å; D166-K169 WeakPolarHBondContact O-CB 3.21Å; D166-K169 PolarHBondContact O-N 3.48Å; D166-K169 VanDerWaalsContact O-N 3.08Å; K169-H172 PolarHBondContact O-CE1 3.22Å; K169-R193 WeakPolarHBondContact CA-O 3.13Å
170	N	89.8	Confident	94	Very high	110 Å²	110	56 Å²	56	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.9	-175.2	-60.7	-12.9	0	0	0	113.5	S148 F168 H172	S148-N170 WeakPolarHBondContact CB-O 3.48Å; F168-N170 PolarHBondContact O-N 3.38Å; N170-H172 PolarHBondContact O-N 3.27Å
171	Y	92.6	Very high	94	Very high	11 Å²	11	57.7 Å²	57.7	4%	0.043	28%	0.28	C	S	.	.			trans	-97.7	59.6	-172	-50.8	-59.9	0	0	0	111.9	P144 V146 S147 M153 F168 D173 L174 L195	P144-Y171 PolarHBondContact O-OH 2.99Å; V146-Y171 HydrophobicContact CG2-CE1 3.65Å; V146-Y171 PolarHBondContact N-OH 2.87Å; V146-Y171 VanDerWaalsContact N-OH 3.09Å; S147-Y171 WeakPolarHBondContact O-CE1 3.43Å; M153-Y171 HydrophobicContact CE-CD2 4.32Å; M153-Y171 HydrophobicContact CE-CE1 4.36Å; M153-Y171 HydrophobicContact CE-CE2 4.04Å; F168-Y171 HydrophobicContact CB-CD2 4.08Å; F168-Y171 AromaticContact CD1-CD2 3.95Å; F168-Y171 HydrophobicContact CD1-CD2 3.95Å; F168-Y171 HydrophobicContact CD1-CE2 4.14Å; F168-Y171 WeakPolarHBondContact O-CD2 3.3Å; F168-Y171 PolarHBondContact O-N 3.34Å; Y171-D173 PolarHBondContact O-N 3.35Å; Y171-L174 VanDerWaalsContact O-CB 3.3Å; Y171-L174 WeakPolarHBondContact O-CB 3.39Å; Y171-L174 PolarHBondContact O-N 3.16Å; Y171-L195 VanDerWaalsContact O-CD2 3.25Å; Y171-L195 WeakPolarHBondContact O-CD2 3.42Å
172	H	92	Very high	94	Very high	93 Å²	93	49.8 Å²	49.8	43%	0.431	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.4	-174.1	-60.9	-47.7	0	0	0	114.5	K169 N170 G194 S197	K169-H172 PolarHBondContact O-CE1 3.22Å; N170-H172 PolarHBondContact O-N 3.27Å; H172-G194 PolarHBondContact ND1-O 3.28Å; H172-S197 WeakPolarHBondContact O-CB 3.45Å; H172-S197 PolarHBondContact O-OG 3.37Å
173	D	92.2	Very high	94	Very high	88 Å²	88	47.6 Å²	47.6	47%	0.471	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.3	-178.4	-59.4	-44.6	0	0	0	113.4	Y171 Q175	Y171-D173 PolarHBondContact O-N 3.35Å; D173-Q175 WeakPolarHBondContact O-CG 3.49Å; D173-Q175 PolarHBondContact O-N 3.44Å
174	L	94.4	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.			trans	-66.6	121.1	-178.8	-171.3	72.2	0	0	0	110.9	V150 M153 Y171 L177 L195 S197 L198	V150-L174 HydrophobicContact CG1-CD1 3.95Å; V150-L174 WeakPolarHBondContact O-CA 3.43Å; V150-L174 PolarHBondContact O-N 3.12Å; M153-L174 HydrophobicContact CB-CD1 3.78Å; Y171-L174 VanDerWaalsContact O-CB 3.3Å; Y171-L174 WeakPolarHBondContact O-CB 3.39Å; Y171-L174 PolarHBondContact O-N 3.16Å; L174-L177 HydrophobicContact CD2-CB 4.19Å; L174-L177 HydrophobicContact CD2-CD1 4.43Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L174-L195 HydrophobicContact CB-CD2 4.06Å; L174-L195 HydrophobicContact CD2-CD2 3.86Å; L174-S197 CarbonylContact O-C 3.22Å; L174-S197 VanDerWaalsContact O-C 3.24Å; L174-L198 HydrophobicContact CD2-CD1 4.17Å; L174-L198 HydrophobicContact CG-CD1 4.05Å; L174-L198 WeakPolarHBondContact O-CA 3.48Å; L174-L198 PolarHBondContact O-N 2.83Å; L174-L198 VanDerWaalsContact O-N 3.09Å
175	Q	93.9	Very high	94.1	Very high	90 Å²	90	46.9 Å²	46.9	42%	0.421	24%	0.236	S	C	.	.			trans	-102.8	-37.3	-178.3	-56.9	-177.6	12.7	0	0	112.4	T151 D173 T199 K200	T151-Q175 PolarHBondContact O-N 2.72Å; D173-Q175 WeakPolarHBondContact O-CG 3.49Å; D173-Q175 PolarHBondContact O-N 3.44Å; Q175-T199 PolarHBondContact O-N 3.32Å; Q175-T199 PolarHBondContact O-OG1 2.94Å; Q175-T199 VanDerWaalsContact O-OG1 3.08Å; Q175-K200 PolarHBondContact O-N 3.28Å; Q175-K200 VanDerWaalsContact O-N 3.11Å
176	K	92.8	Very high	94.1	Very high	61 Å²	61	45.9 Å²	45.9	27%	0.265	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129	-177.9	-47.7	171.8	-161	155.5	0	110.3	E132 T151 A152 M153 Y178	E132-K176 IonicContact OE1-NZ 3.53Å; E132-K176 PolarHBondContact OE1-NZ 2.94Å; T151-K176 PolarHBondContact O-N 2.84Å; A152-K176 WeakPolarHBondContact CA-O 3.43Å; A152-K176 HydrophobicContact CB-CB 3.97Å; A152-K176 HydrophobicContact CB-CD 4Å; A152-K176 HydrophobicContact CB-CG 4.33Å; M153-K176 PolarHBondContact N-O 2.78Å; K176-Y178 HydrophobicContact CB-CD2 4.5Å; K176-Y178 HydrophobicContact CB-CE2 3.73Å; K176-Y178 HydrophobicContact CD-CE2 4.29Å
177	L	96	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	117.9	175	178.9	56.3	0	0	0	110.8	M153 F168 L174 L179 F192 L195 L198 K200 L201 Y202	M153-L177 HydrophobicContact CB-CD1 4.15Å; M153-L177 HydrophobicContact CG-CD1 4.28Å; M153-L177 HydrophobicContact SD-CD1 4.36Å; F168-L177 HydrophobicContact CD1-CD2 4.31Å; F168-L177 HydrophobicContact CD2-CD2 4.34Å; F168-L177 HydrophobicContact CE1-CD1 3.93Å; F168-L177 HydrophobicContact CE1-CD2 3.94Å; F168-L177 HydrophobicContact CE2-CD2 3.98Å; F168-L177 HydrophobicContact CZ-CD1 4.15Å; F168-L177 HydrophobicContact CZ-CD2 3.77Å; L174-L177 HydrophobicContact CD2-CB 4.19Å; L174-L177 HydrophobicContact CD2-CD1 4.43Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L177-L179 HydrophobicContact CD1-CD1 4.26Å; L177-L179 HydrophobicContact CD1-CG 4.11Å; L177-L179 HydrophobicContact CD2-CD1 3.95Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.15Å; L177-F192 HydrophobicContact CD2-CD1 4.38Å; L177-F192 HydrophobicContact CD2-CE1 4.19Å; L177-L195 HydrophobicContact CD2-CD1 4.25Å; L177-L198 HydrophobicContact CB-CD1 3.8Å; L177-K200 PolarHBondContact N-O 3.44Å; L177-L201 HydrophobicContact CB-CD1 4.08Å; L177-L201 HydrophobicContact CD2-CD1 3.92Å; L177-L201 HydrophobicContact CG-CD1 4Å; L177-Y202 PolarHBondContact O-N 3.18Å
178	Y	95.3	Very high	94.3	Very high	56 Å²	56	43.3 Å²	43.3	22%	0.22	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.4	-178.9	-56.8	-88.4	0	0	0	110.5	M153 L155 K176 Y202	M153-Y178 PolarHBondContact O-N 2.04Å; L155-Y178 PolarHBondContact N-O 3.02Å; K176-Y178 HydrophobicContact CB-CD2 4.5Å; K176-Y178 HydrophobicContact CB-CE2 3.73Å; K176-Y178 HydrophobicContact CD-CE2 4.29Å; Y178-Y202 AromaticContact CD1-CD2 3.35Å; Y178-Y202 HydrophobicContact CD1-CD2 3.35Å; Y178-Y202 AromaticContact CD1-CE2 3.71Å; Y178-Y202 HydrophobicContact CD1-CE2 3.71Å; Y178-Y202 AromaticContact CD1-CG 3.83Å; Y178-Y202 HydrophobicContact CD1-CG 3.83Å; Y178-Y202 AromaticContact CE1-CD2 3.46Å; Y178-Y202 HydrophobicContact CE1-CD2 3.46Å; Y178-Y202 VanDerWaalsContact CE1-CD2 3.46Å; Y178-Y202 HydrophobicContact CE1-CE1 4.48Å; Y178-Y202 AromaticContact CE1-CE2 3.25Å; Y178-Y202 HydrophobicContact CE1-CE2 3.25Å; Y178-Y202 HydrophobicContact CE1-CG 4.19Å; Y178-Y202 AromaticContact CE1-CZ 3.81Å; Y178-Y202 HydrophobicContact CG-CD2 4.22Å; Y178-Y202 AromaticContact CZ-CE2 3.97Å
179	L	95.9	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.			trans	-126.4	16.5	-179.1	-71.8	164.6	0	0	0	112	L155 I160 L163 F168 L177 N182 I184 F192 Y202 L203 N206	L155-L179 HydrophobicContact CB-CD2 3.97Å; L155-L179 HydrophobicContact CD1-CD2 3.89Å; I160-L179 HydrophobicContact CD1-CD2 4.21Å; L163-L179 HydrophobicContact CD1-CD1 4.02Å; L163-L179 HydrophobicContact CD2-CD1 4.49Å; F168-L179 HydrophobicContact CE2-CD1 4.47Å; F168-L179 HydrophobicContact CZ-CD1 4.18Å; L177-L179 HydrophobicContact CD1-CD1 4.26Å; L177-L179 HydrophobicContact CD1-CG 4.11Å; L177-L179 HydrophobicContact CD2-CD1 3.95Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.15Å; L179-N182 PolarHBondContact O-ND2 2.97Å; L179-I184 HydrophobicContact CB-CD1 4.19Å; L179-I184 HydrophobicContact CD2-CD1 4.49Å; L179-F192 HydrophobicContact CD1-CE1 4.37Å; L179-Y202 WeakPolarHBondContact CA-O 3.46Å; L179-Y202 WeakPolarHBondContact CB-O 3.43Å; L179-Y202 PolarHBondContact N-O 3.47Å; L179-L203 HydrophobicContact CB-CD2 3.96Å; L179-L203 HydrophobicContact CD1-CD2 3.92Å; L179-N206 PolarHBondContact O-ND2 3.3Å
180	Q	93.7	Very high	94.5	Very high	24 Å²	24	46.5 Å²	46.5	11%	0.112	23%	0.23	C	C	.	.			trans	-64.7	161.1	-180	63.1	-83	5.7	0	0	113.2	Q156 W157 N182 Y202 S204	Q156-Q180 VanDerWaalsContact CA-O 3.26Å; Q156-Q180 WeakPolarHBondContact CA-O 3.49Å; Q156-Q180 HydrophobicContact CB-CG 3.77Å; Q156-Q180 WeakPolarHBondContact CB-O 3.44Å; W157-Q180 PolarHBondContact N-O 2.91Å; Q180-N182 VanDerWaalsContact C-N 3.29Å; Q180-N182 PolarHBondContact O-N 3.49Å; Q180-N182 PolarHBondContact O-ND2 3.31Å; Q180-Y202 VanDerWaalsContact OE1-CB 3.27Å; Q180-S204 CarbonylContact C-O 3.11Å; Q180-S204 WeakPolarHBondContact CA-O 2.84Å; Q180-S204 WeakPolarHBondContact CB-O 3.49Å
181	N	95.3	Very high	94.8	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	20%	0.202	C	C	.	.	S	Bend	trans	54.3	41.7	177.3	-65.5	-59.4	0	0	0	113.8	W157 S204 H205	W157-N181 VanDerWaalsContact CA-O 3.3Å; W157-N181 WeakPolarHBondContact CA-O 3.38Å; W157-N181 HydrophobicContact CD2-CB 3.51Å; W157-N181 VanDerWaalsContact CE2-ND2 3.35Å; W157-N181 HydrophobicContact CE3-CB 3.51Å; W157-N181 HydrophobicContact CG-CB 4.04Å; W157-N181 HydrophobicContact CH2-CB 4.17Å; W157-N181 HydrophobicContact CZ2-CB 4.19Å; W157-N181 WeakPolarHBondContact CZ2-ND2 3.39Å; W157-N181 HydrophobicContact CZ3-CB 3.84Å; W157-N181 PolarHBondContact N-O 3.27Å; N181-S204 PolarHBondContact N-O 3.49Å; N181-S204 VanDerWaalsContact N-O 3.07Å; N181-H205 WeakPolarHBondContact CA-O 3.41Å; N181-H205 WeakPolarHBondContact OD1-CB 3.2Å; N181-H205 PolarHBondContact OD1-CD2 3.09Å; N181-H205 VanDerWaalsContact OD1-CD2 3.3Å
182	N	96.3	Very high	95	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	20%	0.201	C	C	.	.	S	Bend	trans	-111.9	-166.4	176.9	-92.3	-89.8	0	0	0	110.8	L155 N158 I160 L179 Q180 I184 H205 N206	L155-N182 PolarHBondContact O-ND2 3.19Å; N158-N182 WeakPolarHBondContact CA-OD1 3.5Å; N158-N182 WeakPolarHBondContact CB-OD1 3.41Å; N158-N182 PolarHBondContact O-OD1 3.42Å; I160-N182 VanDerWaalsContact CB-OD1 3.25Å; I160-N182 WeakPolarHBondContact CB-OD1 3.35Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.45Å; I160-N182 PolarHBondContact N-OD1 2.71Å; L179-N182 PolarHBondContact O-ND2 2.97Å; Q180-N182 VanDerWaalsContact C-N 3.29Å; Q180-N182 PolarHBondContact O-N 3.49Å; Q180-N182 PolarHBondContact O-ND2 3.31Å; N182-I184 HydrophobicContact CB-CD1 4.24Å; N182-I184 HydrophobicContact CB-CG1 4.08Å; N182-H205 PolarHBondContact N-O 3.04Å; N182-N206 WeakPolarHBondContact CA-OD1 3.12Å; N182-N206 WeakPolarHBondContact CB-OD1 3.28Å; N182-N206 PolarHBondContact O-OD1 3.04Å
183	K	95.9	Very high	95.1	Very high	88 Å²	88	42.1 Å²	42.1	38%	0.383	20%	0.201	S	C	.	.			trans	-120	28	-179.8	-65	175.8	-177.2	168.8	0	111.2	L159 I160 R161 T185 N206	L159-K183 HydrophobicContact CD2-CD 4Å; I160-K183 CarbonylContact O-C 3.34Å; I160-K183 VanDerWaalsContact O-CA 3.31Å; I160-K183 WeakPolarHBondContact O-CA 3.5Å; I160-K183 PolarHBondContact O-N 3.02Å; R161-K183 WeakPolarHBondContact CA-O 3.25Å; R161-K183 HydrophobicContact CG-CB 4.3Å; K183-T185 PolarHBondContact O-N 2.96Å; K183-N206 PolarHBondContact N-OD1 3.05Å
184	I	97.1	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.			trans	-67.1	117	-172.7	-58.8	168.7	0	0	0	109.3	I160 R161 L163 L179 N182 I187 N206 R207 I208	I160-I184 HydrophobicContact CB-CG1 4.4Å; I160-I184 HydrophobicContact CG2-CG1 4.16Å; I160-I184 PolarHBondContact O-N 3.45Å; I160-I184 VanDerWaalsContact O-N 3.09Å; R161-I184 WeakPolarHBondContact O-CA 3.46Å; L163-I184 HydrophobicContact CD1-CD1 4.4Å; L163-I184 HydrophobicContact CD2-CD1 4.35Å; L163-I184 HydrophobicContact CG-CD1 4.32Å; L163-I184 HydrophobicContact CG-CG2 4.44Å; L179-I184 HydrophobicContact CB-CD1 4.19Å; L179-I184 HydrophobicContact CD2-CD1 4.49Å; N182-I184 HydrophobicContact CB-CD1 4.24Å; N182-I184 HydrophobicContact CB-CG1 4.08Å; I184-I187 HydrophobicContact CG2-CD1 4.36Å; I184-I187 HydrophobicContact CG2-CG1 3.85Å; I184-N206 HydrophobicContact CB-CB 4.34Å; I184-N206 VanDerWaalsContact CB-OD1 3.25Å; I184-N206 WeakPolarHBondContact CB-OD1 3.49Å; I184-N206 VanDerWaalsContact CG1-OD1 3.32Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.45Å; I184-N206 PolarHBondContact N-OD1 3.05Å; I184-R207 CarbonylContact O-C 3.53Å; I184-R207 WeakPolarHBondContact O-CA 3.35Å; I184-R207 PolarHBondContact O-N 2.99Å; I184-I208 HydrophobicContact CB-CG1 4.46Å; I184-I208 HydrophobicContact CG2-CG1 4.15Å; I184-I208 PolarHBondContact O-N 3.15Å; I184-I208 VanDerWaalsContact O-N 3.16Å
185	T	95.4	Very high	95.1	Very high	61 Å²	61	38.3 Å²	38.3	37%	0.374	18%	0.183	S	C	.	.			trans	-105.5	-27.6	176.6	54.5	0	0	0	0	113.2	R161 K183 R207	R161-T185 PolarHBondContact O-N 3.12Å; R161-T185 PolarHBondContact O-OG1 2.94Å; K183-T185 PolarHBondContact O-N 2.96Å; T185-R207 HydrophobicContact CG2-CB 3.85Å
186	S	94.3	Very high	95	Very high	47 Å²	47	37.5 Å²	37.5	33%	0.329	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	131.4	-177.1	68.7	0	0	0	0	112.4	K162 L163	K162-S186 WeakPolarHBondContact CA-O 3.41Å; K162-S186 WeakPolarHBondContact CG-OG 3.39Å; L163-S186 PolarHBondContact N-O 3.03Å
187	I	96.5	Very high	95.1	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	175	-57.4	-178.2	0	0	0	108.4	L163 I184 A191 F192 L203 I208 L211 V215	L163-I187 HydrophobicContact CB-CG2 4.31Å; L163-I187 HydrophobicContact CD1-CD1 4.12Å; L163-I187 HydrophobicContact CD1-CG1 4.04Å; L163-I187 HydrophobicContact CD1-CG2 4.24Å; L163-I187 HydrophobicContact CG-CG1 4.43Å; I184-I187 HydrophobicContact CG2-CD1 4.36Å; I184-I187 HydrophobicContact CG2-CG1 3.85Å; I187-A191 HydrophobicContact CG2-CB 3.65Å; I187-F192 HydrophobicContact CD1-CE2 4.34Å; I187-F192 HydrophobicContact CD1-CZ 4.3Å; I187-F192 HydrophobicContact CG2-CD2 4.43Å; I187-F192 HydrophobicContact CG2-CE2 3.76Å; I187-F192 HydrophobicContact CG2-CZ 4.25Å; I187-L203 HydrophobicContact CD1-CD1 4.25Å; I187-L203 HydrophobicContact CD1-CD2 4.32Å; I187-I208 HydrophobicContact CD1-CD1 3.8Å; I187-I208 HydrophobicContact CD1-CG1 4.33Å; I187-L211 HydrophobicContact CD1-CD2 4.06Å; I187-V215 HydrophobicContact CG2-CG2 3.73Å
188	S	95.3	Very high	95.1	Very high	26 Å²	26	35.6 Å²	35.6	18%	0.182	18%	0.176	C	C	.	.			trans	-72.2	150.5	173.4	-169	0	0	0	0	111.4	L163 Y190 A191	L163-S188 WeakPolarHBondContact O-CB 3.48Å; L163-S188 PolarHBondContact O-N 3.37Å; L163-S188 VanDerWaalsContact O-N 3.07Å; S188-Y190 PolarHBondContact O-N 3.17Å; S188-A191 VanDerWaalsContact O-CB 3.25Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.93Å; S188-A191 VanDerWaalsContact O-N 3.07Å
189	I	94.9	Very high	95.1	Very high	54 Å²	54	34.4 Å²	34.4	28%	0.277	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.5	174.6	45	178	0	0	0	112.4	K212	I189-K212 HydrophobicContact CG2-CB 3.44Å; I189-K212 VanDerWaalsContact CG2-CB 3.44Å; I189-K212 HydrophobicContact CG2-CD 3.61Å; I189-K212 HydrophobicContact CG2-CG 4.17Å
190	Y	95.4	Very high	94.9	Very high	111 Å²	111	36.5 Å²	36.5	44%	0.435	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	19	-179.9	-48.3	-50.4	0	0	0	112.6	D166 S188 R193	D166-Y190 PolarHBondContact N-O 2.97Å; S188-Y190 PolarHBondContact O-N 3.17Å; Y190-R193 WeakPolarHBondContact O-CB 3.34Å
191	A	95.9	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-47.1	-177.4	0	0	0	0	0	112.1	L163 F168 I187 S188 R193	L163-A191 HydrophobicContact CB-CB 3.91Å; F168-A191 WeakPolarHBondContact CD2-O 3.48Å; I187-A191 HydrophobicContact CG2-CB 3.65Å; S188-A191 VanDerWaalsContact O-CB 3.25Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.93Å; S188-A191 VanDerWaalsContact O-N 3.07Å; A191-R193 VanDerWaalsContact C-N 3.34Å
192	F	96.2	Very high	95.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	17.3	-177	-55.8	-62.2	0	0	0	113.7	L163 F168 L177 L179 I187 L195 L201 L203 V215 F216 L219	L163-F192 HydrophobicContact CD1-CE1 3.88Å; L163-F192 HydrophobicContact CD1-CZ 3.66Å; F168-F192 HydrophobicContact CD2-CD1 4.02Å; F168-F192 HydrophobicContact CD2-CE1 4.38Å; F168-F192 HydrophobicContact CE2-CD1 4.2Å; F168-F192 HydrophobicContact CE2-CE1 4.08Å; L177-F192 HydrophobicContact CD2-CD1 4.38Å; L177-F192 HydrophobicContact CD2-CE1 4.19Å; L179-F192 HydrophobicContact CD1-CE1 4.37Å; I187-F192 HydrophobicContact CD1-CE2 4.34Å; I187-F192 HydrophobicContact CD1-CZ 4.3Å; I187-F192 HydrophobicContact CG2-CD2 4.43Å; I187-F192 HydrophobicContact CG2-CE2 3.76Å; I187-F192 HydrophobicContact CG2-CZ 4.25Å; F192-L195 HydrophobicContact CB-CD1 4.17Å; F192-L195 HydrophobicContact CD1-CD1 4.08Å; F192-L195 WeakPolarHBondContact O-CB 3.26Å; F192-L195 PolarHBondContact O-N 3.05Å; F192-L201 HydrophobicContact CD1-CD2 4.46Å; F192-L201 HydrophobicContact CE1-CD1 4.13Å; F192-L201 HydrophobicContact CE1-CD2 4.15Å; F192-L201 HydrophobicContact CE2-CD2 4.2Å; F192-L201 HydrophobicContact CZ-CD1 4.43Å; F192-L201 HydrophobicContact CZ-CD2 4.01Å; F192-L203 HydrophobicContact CZ-CD1 4.31Å; F192-L203 HydrophobicContact CZ-CD2 4.39Å; F192-V215 HydrophobicContact CD2-CG2 4.24Å; F192-V215 HydrophobicContact CE2-CG2 4.39Å; F192-F216 AromaticContact CD2-CD1 3.9Å; F192-F216 HydrophobicContact CD2-CD1 3.9Å; F192-F216 AromaticContact CD2-CE1 3.91Å; F192-F216 HydrophobicContact CD2-CE1 3.91Å; F192-F216 HydrophobicContact CE2-CD1 4.2Å; F192-F216 AromaticContact CE2-CE1 3.72Å; F192-F216 HydrophobicContact CE2-CE1 3.72Å; F192-L219 HydrophobicContact CB-CD1 4.23Å; F192-L219 HydrophobicContact CB-CD2 4.19Å; F192-L219 HydrophobicContact CB-CG 4.41Å
193	R	94.3	Very high	95	Very high	118 Å²	118	35.2 Å²	35.2	45%	0.445	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	138.8	-178	-162.2	-174.1	-172.4	172.7	3.7	110.8	D166 K169 Y190 A191 L195 D218	D166-R193 VanDerWaalsContact OD1-CD 3.25Å; D166-R193 WeakPolarHBondContact OD1-CD 3.45Å; D166-R193 IonicContact OD1-NH1 3.94Å; K169-R193 WeakPolarHBondContact CA-O 3.13Å; Y190-R193 WeakPolarHBondContact O-CB 3.34Å; A191-R193 VanDerWaalsContact C-N 3.34Å; R193-L195 VanDerWaalsContact C-N 3.32Å; R193-L195 PolarHBondContact O-N 3.02Å; R193-D218 VanDerWaalsContact CA-OD2 3.3Å; R193-D218 WeakPolarHBondContact CA-OD2 3.43Å; R193-D218 WeakPolarHBondContact CG-OD2 3.32Å
194	G	91.5	Very high	95	Very high	9 Å²	9	31.5 Å²	31.5	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-2.2	178	0	0	0	0	0	116.1	H172 N196 D218	H172-G194 PolarHBondContact ND1-O 3.28Å; G194-N196 PolarHBondContact O-N 3.27Å; G194-D218 PolarHBondContact N-OD2 3.33Å
195	L	95.1	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.			trans	-80.7	53.6	-179.6	-70.1	-174.6	0	0	0	112.9	F168 Y171 L174 L177 F192 R193 S197 L198 L219	F168-L195 HydrophobicContact CB-CD1 3.74Å; F168-L195 HydrophobicContact CB-CD2 3.9Å; F168-L195 HydrophobicContact CB-CG 3.88Å; F168-L195 HydrophobicContact CD2-CD1 4.37Å; F168-L195 HydrophobicContact CG-CD1 4.11Å; Y171-L195 VanDerWaalsContact O-CD2 3.25Å; Y171-L195 WeakPolarHBondContact O-CD2 3.42Å; L174-L195 HydrophobicContact CB-CD2 4.06Å; L174-L195 HydrophobicContact CD2-CD2 3.86Å; L177-L195 HydrophobicContact CD2-CD1 4.25Å; F192-L195 HydrophobicContact CB-CD1 4.17Å; F192-L195 HydrophobicContact CD1-CD1 4.08Å; F192-L195 WeakPolarHBondContact O-CB 3.26Å; F192-L195 PolarHBondContact O-N 3.05Å; R193-L195 VanDerWaalsContact C-N 3.32Å; R193-L195 PolarHBondContact O-N 3.02Å; L195-S197 PolarHBondContact O-N 2.96Å; L195-L198 HydrophobicContact CB-CB 4.18Å; L195-L198 HydrophobicContact CD1-CD2 4.09Å; L195-L198 WeakPolarHBondContact O-CB 3.16Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-L219 HydrophobicContact CB-CD2 3.55Å; L195-L219 WeakPolarHBondContact O-CD2 3.45Å
196	N	92.7	Very high	95	Very high	73 Å²	73	32.4 Å²	32.4	39%	0.39	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.5	-170.5	-58.1	-17.2	0	0	0	113.9	G194 R221	G194-N196 PolarHBondContact O-N 3.27Å; N196-R221 WeakPolarHBondContact O-CD 3.36Å; N196-R221 WeakPolarHBondContact O-CG 3.03Å
197	S	94.9	Very high	95.1	Very high	21 Å²	21	36.8 Å²	36.8	15%	0.147	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.2	-179.8	-58.3	0	0	0	0	114.3	H172 L174 L195 T199	H172-S197 WeakPolarHBondContact O-CB 3.45Å; H172-S197 PolarHBondContact O-OG 3.37Å; L174-S197 CarbonylContact O-C 3.22Å; L174-S197 VanDerWaalsContact O-C 3.24Å; L195-S197 PolarHBondContact O-N 2.96Å; S197-T199 PolarHBondContact O-N 3.09Å
198	L	95.9	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.			trans	-68.6	122.9	-173.2	-163.9	76.1	0	0	0	110.8	L174 L177 L195 L201 L219 R221 L222	L174-L198 HydrophobicContact CD2-CD1 4.17Å; L174-L198 HydrophobicContact CG-CD1 4.05Å; L174-L198 WeakPolarHBondContact O-CA 3.48Å; L174-L198 PolarHBondContact O-N 2.83Å; L174-L198 VanDerWaalsContact O-N 3.09Å; L177-L198 HydrophobicContact CB-CD1 3.8Å; L195-L198 HydrophobicContact CB-CB 4.18Å; L195-L198 HydrophobicContact CD1-CD2 4.09Å; L195-L198 WeakPolarHBondContact O-CB 3.16Å; L195-L198 PolarHBondContact O-N 3.45Å; L198-L201 HydrophobicContact CD2-CB 4.07Å; L198-L201 HydrophobicContact CD2-CD1 4.47Å; L198-L201 HydrophobicContact CD2-CD2 4.42Å; L198-L219 HydrophobicContact CB-CD2 4.25Å; L198-L219 HydrophobicContact CD2-CD1 4.31Å; L198-L219 HydrophobicContact CD2-CD2 4.02Å; L198-R221 CarbonylContact O-C 3.17Å; L198-L222 HydrophobicContact CB-CD1 4.49Å; L198-L222 HydrophobicContact CD2-CD1 3.98Å; L198-L222 HydrophobicContact CG-CD1 4.03Å; L198-L222 WeakPolarHBondContact O-CA 3.45Å; L198-L222 PolarHBondContact O-N 2.95Å
199	T	93.8	Very high	95	Very high	30 Å²	30	38.5 Å²	38.5	18%	0.184	18%	0.179	C	C	.	.			trans	-104.2	-30.6	178.8	59.6	0	0	0	0	112.2	Q175 S197 E223 W224	Q175-T199 PolarHBondContact O-N 3.32Å; Q175-T199 PolarHBondContact O-OG1 2.94Å; Q175-T199 VanDerWaalsContact O-OG1 3.08Å; S197-T199 PolarHBondContact O-N 3.09Å; T199-E223 PolarHBondContact O-N 3.26Å; T199-W224 PolarHBondContact O-N 3.31Å
200	K	92.9	Very high	94.9	Very high	45 Å²	45	39.4 Å²	39.4	20%	0.196	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.8	-177.3	-56.4	-176.4	-176.5	-172.6	0	112.3	Q175 L177 Y202 W224	Q175-K200 PolarHBondContact O-N 3.28Å; Q175-K200 VanDerWaalsContact O-N 3.11Å; L177-K200 PolarHBondContact N-O 3.44Å; K200-Y202 HydrophobicContact CB-CE2 3.79Å; K200-W224 HydrophobicContact CD-CD2 4.01Å; K200-W224 HydrophobicContact CD-CE3 3.68Å; K200-W224 HydrophobicContact CD-CH2 4.17Å; K200-W224 HydrophobicContact CD-CZ2 4.49Å; K200-W224 HydrophobicContact CD-CZ3 3.79Å; K200-W224 HydrophobicContact CG-CB 4.33Å; K200-W224 HydrophobicContact CG-CD2 4.14Å; K200-W224 HydrophobicContact CG-CE3 4.12Å; K200-W224 HydrophobicContact CG-CG 4.3Å; K200-W224 VanDerWaalsContact NZ-CZ2 3.31Å
201	L	96.6	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.6	178.1	179.1	55.4	0	0	0	111	L177 F192 L198 L203 F216 L219 L222 W224 L225 I226	L177-L201 HydrophobicContact CB-CD1 4.08Å; L177-L201 HydrophobicContact CD2-CD1 3.92Å; L177-L201 HydrophobicContact CG-CD1 4Å; F192-L201 HydrophobicContact CD1-CD2 4.46Å; F192-L201 HydrophobicContact CE1-CD1 4.13Å; F192-L201 HydrophobicContact CE1-CD2 4.15Å; F192-L201 HydrophobicContact CE2-CD2 4.2Å; F192-L201 HydrophobicContact CZ-CD1 4.43Å; F192-L201 HydrophobicContact CZ-CD2 4.01Å; L198-L201 HydrophobicContact CD2-CB 4.07Å; L198-L201 HydrophobicContact CD2-CD1 4.47Å; L198-L201 HydrophobicContact CD2-CD2 4.42Å; L201-L203 HydrophobicContact CD1-CG 4.29Å; L201-L203 HydrophobicContact CD2-CD1 4.21Å; L201-L203 HydrophobicContact CG-CD1 4.2Å; L201-L203 HydrophobicContact CG-CG 4.26Å; L201-F216 HydrophobicContact CD2-CD1 4.41Å; L201-F216 HydrophobicContact CD2-CE1 3.97Å; L201-L219 HydrophobicContact CD2-CD1 4.11Å; L201-L222 HydrophobicContact CB-CD1 3.8Å; L201-L222 HydrophobicContact CB-CD2 4.4Å; L201-W224 PolarHBondContact N-O 3.02Å; L201-L225 HydrophobicContact CB-CD1 4.18Å; L201-L225 HydrophobicContact CD2-CD1 3.91Å; L201-L225 HydrophobicContact CG-CD1 4.06Å; L201-I226 PolarHBondContact O-N 3.37Å; L201-I226 VanDerWaalsContact O-N 3.07Å
202	Y	95.2	Very high	94.7	Very high	42 Å²	42	39 Å²	39	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.8	179.6	-60.1	-100.9	0	0	0	110.7	L177 Y178 L179 Q180 K200 W224 I226	L177-Y202 PolarHBondContact O-N 3.18Å; Y178-Y202 AromaticContact CD1-CD2 3.35Å; Y178-Y202 HydrophobicContact CD1-CD2 3.35Å; Y178-Y202 AromaticContact CD1-CE2 3.71Å; Y178-Y202 HydrophobicContact CD1-CE2 3.71Å; Y178-Y202 AromaticContact CD1-CG 3.83Å; Y178-Y202 HydrophobicContact CD1-CG 3.83Å; Y178-Y202 AromaticContact CE1-CD2 3.46Å; Y178-Y202 HydrophobicContact CE1-CD2 3.46Å; Y178-Y202 VanDerWaalsContact CE1-CD2 3.46Å; Y178-Y202 HydrophobicContact CE1-CE1 4.48Å; Y178-Y202 AromaticContact CE1-CE2 3.25Å; Y178-Y202 HydrophobicContact CE1-CE2 3.25Å; Y178-Y202 HydrophobicContact CE1-CG 4.19Å; Y178-Y202 AromaticContact CE1-CZ 3.81Å; Y178-Y202 HydrophobicContact CG-CD2 4.22Å; Y178-Y202 AromaticContact CZ-CE2 3.97Å; L179-Y202 WeakPolarHBondContact CA-O 3.46Å; L179-Y202 WeakPolarHBondContact CB-O 3.43Å; L179-Y202 PolarHBondContact N-O 3.47Å; Q180-Y202 VanDerWaalsContact OE1-CB 3.27Å; K200-Y202 HydrophobicContact CB-CE2 3.79Å; Y202-W224 VanDerWaalsContact OH-CZ3 3.28Å; Y202-W224 WeakPolarHBondContact OH-CZ3 3.34Å; Y202-I226 HydrophobicContact CD1-CB 4.3Å; Y202-I226 HydrophobicContact CD1-CD1 3.89Å; Y202-I226 HydrophobicContact CE1-CD1 3.57Å
203	L	96.1	Very high	94.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.			trans	-127.4	13.6	-179.2	-69.6	166.9	0	0	0	112.4	L179 I187 F192 L201 N206 I208 I226 I227 N230	L179-L203 HydrophobicContact CB-CD2 3.96Å; L179-L203 HydrophobicContact CD1-CD2 3.92Å; I187-L203 HydrophobicContact CD1-CD1 4.25Å; I187-L203 HydrophobicContact CD1-CD2 4.32Å; F192-L203 HydrophobicContact CZ-CD1 4.31Å; F192-L203 HydrophobicContact CZ-CD2 4.39Å; L201-L203 HydrophobicContact CD1-CG 4.29Å; L201-L203 HydrophobicContact CD2-CD1 4.21Å; L201-L203 HydrophobicContact CG-CD1 4.2Å; L201-L203 HydrophobicContact CG-CG 4.26Å; L203-N206 PolarHBondContact O-ND2 3.44Å; L203-I208 HydrophobicContact CB-CD1 4.12Å; L203-I208 HydrophobicContact CD1-CD1 4.46Å; L203-I208 HydrophobicContact CD2-CD1 4.43Å; L203-I226 PolarHBondContact N-O 3.11Å; L203-I227 HydrophobicContact CB-CG1 4.35Å; L203-I227 HydrophobicContact CB-CG2 4.08Å; L203-I227 HydrophobicContact CD1-CD1 4.3Å; L203-I227 HydrophobicContact CD1-CG1 4.35Å; L203-N230 PolarHBondContact O-ND2 3.08Å
204	S	94.3	Very high	94.5	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	19%	0.19	C	C	.	.			trans	-58	155.5	-175.9	-52.5	0	0	0	0	114.2	Q180 N181 N206 I226 E228	Q180-S204 CarbonylContact C-O 3.11Å; Q180-S204 WeakPolarHBondContact CA-O 2.84Å; Q180-S204 WeakPolarHBondContact CB-O 3.49Å; N181-S204 PolarHBondContact N-O 3.49Å; N181-S204 VanDerWaalsContact N-O 3.07Å; S204-N206 PolarHBondContact O-N 3.39Å; S204-N206 PolarHBondContact O-ND2 3.06Å; S204-N206 VanDerWaalsContact O-ND2 3.12Å; S204-I226 WeakPolarHBondContact OG-CG2 3.24Å; S204-E228 CarbonylContact C-O 3.14Å; S204-E228 VanDerWaalsContact CA-O 3.25Å; S204-E228 WeakPolarHBondContact CA-O 3.47Å
205	H	95.4	Very high	94.7	Very high	74 Å²	74	37.1 Å²	37.1	34%	0.343	19%	0.187	S	C	.	.	S	Bend	trans	49.8	54	177.8	-47	-67.9	0	0	0	112.6	N181 N182 E228 D229	N181-H205 WeakPolarHBondContact CA-O 3.41Å; N181-H205 WeakPolarHBondContact OD1-CB 3.2Å; N181-H205 PolarHBondContact OD1-CD2 3.09Å; N181-H205 VanDerWaalsContact OD1-CD2 3.3Å; N182-H205 PolarHBondContact N-O 3.04Å; H205-E228 PolarHBondContact N-O 3.49Å; H205-D229 VanDerWaalsContact CA-O 3.29Å; H205-D229 WeakPolarHBondContact CA-O 3.36Å; H205-D229 IonicContact CE1-OD2 2.62Å; H205-D229 PolarHBondContact CE1-OD2 3.24Å; H205-D229 PolarHBondContact N-O 3.42Å; H205-D229 VanDerWaalsContact ND1-CB 3.34Å; H205-D229 WeakPolarHBondContact ND1-CB 3.17Å; H205-D229 IonicContact ND1-OD2 2.69Å; H205-D229 PolarHBondContact ND1-OD2 3.42Å
206	N	97.1	Very high	94.7	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-121.7	-163.9	174.7	-88.9	-78.3	0	0	0	109.5	L179 N182 K183 I184 L203 S204 I208 D229 N230	L179-N206 PolarHBondContact O-ND2 3.3Å; N182-N206 WeakPolarHBondContact CA-OD1 3.12Å; N182-N206 WeakPolarHBondContact CB-OD1 3.28Å; N182-N206 PolarHBondContact O-OD1 3.04Å; K183-N206 PolarHBondContact N-OD1 3.05Å; I184-N206 HydrophobicContact CB-CB 4.34Å; I184-N206 VanDerWaalsContact CB-OD1 3.25Å; I184-N206 WeakPolarHBondContact CB-OD1 3.49Å; I184-N206 VanDerWaalsContact CG1-OD1 3.32Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.45Å; I184-N206 PolarHBondContact N-OD1 3.05Å; L203-N206 PolarHBondContact O-ND2 3.44Å; S204-N206 PolarHBondContact O-N 3.39Å; S204-N206 PolarHBondContact O-ND2 3.06Å; S204-N206 VanDerWaalsContact O-ND2 3.12Å; N206-I208 HydrophobicContact CB-CD1 4.25Å; N206-I208 HydrophobicContact CB-CG1 4.15Å; N206-D229 PolarHBondContact N-O 3.36Å; N206-N230 WeakPolarHBondContact CA-OD1 3.37Å; N206-N230 WeakPolarHBondContact CB-OD1 3.45Å; N206-N230 PolarHBondContact N-ND2 2.95Å
207	R	96.5	Very high	94.8	Very high	138 Å²	138	38 Å²	38	52%	0.521	19%	0.188	S	C	.	.			trans	-127.9	31.3	-178.2	-60.9	-177.9	-174.5	-167.3	-3.4	111.3	I184 T185 T209 N230	I184-R207 CarbonylContact O-C 3.53Å; I184-R207 WeakPolarHBondContact O-CA 3.35Å; I184-R207 PolarHBondContact O-N 2.99Å; T185-R207 HydrophobicContact CG2-CB 3.85Å; R207-T209 PolarHBondContact O-N 2.83Å; R207-N230 PolarHBondContact N-OD1 3.23Å
208	I	96.3	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.			trans	-70.2	120.1	-175.6	-55.5	164	0	0	0	108.1	I184 I187 L203 N206 L211 I227 N230 H231 L232	I184-I208 HydrophobicContact CB-CG1 4.46Å; I184-I208 HydrophobicContact CG2-CG1 4.15Å; I184-I208 PolarHBondContact O-N 3.15Å; I184-I208 VanDerWaalsContact O-N 3.16Å; I187-I208 HydrophobicContact CD1-CD1 3.8Å; I187-I208 HydrophobicContact CD1-CG1 4.33Å; L203-I208 HydrophobicContact CB-CD1 4.12Å; L203-I208 HydrophobicContact CD1-CD1 4.46Å; L203-I208 HydrophobicContact CD2-CD1 4.43Å; N206-I208 HydrophobicContact CB-CD1 4.25Å; N206-I208 HydrophobicContact CB-CG1 4.15Å; I208-L211 HydrophobicContact CG2-CD2 4Å; I208-L211 HydrophobicContact CG2-CG 4.24Å; I208-I227 HydrophobicContact CD1-CG2 4.19Å; I208-N230 VanDerWaalsContact CB-OD1 3.26Å; I208-N230 WeakPolarHBondContact CB-OD1 3.18Å; I208-N230 VanDerWaalsContact CG1-OD1 3.27Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.36Å; I208-N230 PolarHBondContact N-OD1 2.96Å; I208-H231 CarbonylContact O-C 3.31Å; I208-H231 WeakPolarHBondContact O-CA 3.13Å; I208-H231 PolarHBondContact O-N 3.39Å; I208-L232 HydrophobicContact CB-CD2 4.44Å; I208-L232 HydrophobicContact CG2-CD2 3.81Å; I208-L232 PolarHBondContact O-N 3.07Å
209	T	93.8	Very high	94.7	Very high	74 Å²	74	39 Å²	39	45%	0.454	19%	0.192	S	C	.	.			trans	-97.2	-24.8	-178.3	54.9	0	0	0	0	113.7	R207 H231	R207-T209 PolarHBondContact O-N 2.83Å; T209-H231 WeakPolarHBondContact CA-O 3.48Å; T209-H231 HydrophobicContact CG2-CB 4.06Å
210	F	92.9	Very high	94.8	Very high	72 Å²	72	41.6 Å²	41.6	32%	0.316	20%	0.202	S	C	.	.			trans	-158.3	138.2	-176.5	-176.8	-110.7	0	0	0	111.9	K212 R234	F210-K212 HydrophobicContact CD1-CG 4.14Å; F210-K212 HydrophobicContact CE1-CB 4.42Å; F210-K212 HydrophobicContact CE1-CG 3.88Å; F210-R234 HydrophobicContact CD2-CG 3.99Å; F210-R234 HydrophobicContact CE2-CG 4.08Å
211	L	94.4	Very high	94.9	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	22%	0.22	C	C	.	.			trans	-109.8	121.9	171.8	-68.1	168.3	0	0	0	109.2	I187 I208 V215 F216 I227 L232 T239	I187-L211 HydrophobicContact CD1-CD2 4.06Å; I208-L211 HydrophobicContact CG2-CD2 4Å; I208-L211 HydrophobicContact CG2-CG 4.24Å; L211-V215 HydrophobicContact CB-CG1 4.32Å; L211-V215 HydrophobicContact CD2-CG1 4.44Å; L211-F216 HydrophobicContact CD1-CE2 4.25Å; L211-F216 HydrophobicContact CD1-CZ 4.2Å; L211-F216 HydrophobicContact CD2-CZ 4.36Å; L211-I227 HydrophobicContact CD1-CD1 3.63Å; L211-L232 HydrophobicContact CD1-CD1 4.11Å; L211-L232 HydrophobicContact CD1-CD2 4.18Å; L211-L232 HydrophobicContact CG-CD2 3.97Å; L211-T239 HydrophobicContact CB-CG2 3.49Å; L211-T239 VanDerWaalsContact CB-CG2 3.49Å; L211-T239 HydrophobicContact CD1-CG2 4.39Å; L211-T239 PolarHBondContact O-OG1 3.09Å
212	K	93.1	Very high	94.9	Very high	98 Å²	98	46.7 Å²	46.7	43%	0.426	22%	0.22	S	C	.	.			trans	-70.9	150.3	-178.2	-67.7	178.3	177.9	-177.7	0	111	I189 F210 V215	I189-K212 HydrophobicContact CG2-CB 3.44Å; I189-K212 VanDerWaalsContact CG2-CB 3.44Å; I189-K212 HydrophobicContact CG2-CD 3.61Å; I189-K212 HydrophobicContact CG2-CG 4.17Å; F210-K212 HydrophobicContact CD1-CG 4.14Å; F210-K212 HydrophobicContact CE1-CB 4.42Å; F210-K212 HydrophobicContact CE1-CG 3.88Å; K212-V215 WeakPolarHBondContact O-CB 3.29Å; K212-V215 VanDerWaalsContact O-CG1 3.31Å; K212-V215 WeakPolarHBondContact O-CG1 3.44Å; K212-V215 PolarHBondContact O-N 3.15Å
213	P	93.6	Very high	94.8	Very high	70 Å²	70	46.9 Å²	46.9	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	140.6	167.6	-29.2	37.8	0	0	0	112.2	V215 P238	P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 PolarHBondContact O-N 2.78Å; P213-P238 WeakPolarHBondContact CA-O 3.39Å; P213-P238 HydrophobicContact CB-CB 4.05Å
214	G	91.7	Very high	94.7	Very high	17 Å²	17	48 Å²	48	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	5.4	178.3	0	0	0	0	0	116.3	F216 E217 P238	G214-F216 PolarHBondContact O-N 3.14Å; G214-E217 VanDerWaalsContact O-CB 3.28Å; G214-E217 WeakPolarHBondContact O-CB 3.5Å; G214-E217 PolarHBondContact O-N 3.3Å; G214-E217 VanDerWaalsContact O-N 3.07Å; G214-P238 PolarHBondContact N-O 2.77Å
215	V	95.8	Very high	94.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	-178.2	68.6	0	0	0	0	114.2	I187 F192 L211 K212 P213 T239	I187-V215 HydrophobicContact CG2-CG2 3.73Å; F192-V215 HydrophobicContact CD2-CG2 4.24Å; F192-V215 HydrophobicContact CE2-CG2 4.39Å; L211-V215 HydrophobicContact CB-CG1 4.32Å; L211-V215 HydrophobicContact CD2-CG1 4.44Å; K212-V215 WeakPolarHBondContact O-CB 3.29Å; K212-V215 VanDerWaalsContact O-CG1 3.31Å; K212-V215 WeakPolarHBondContact O-CG1 3.44Å; K212-V215 PolarHBondContact O-N 3.15Å; P213-V215 VanDerWaalsContact C-N 3.26Å; P213-V215 PolarHBondContact O-N 2.78Å; V215-T239 HydrophobicContact CG1-CG2 4.15Å
216	F	96.2	Very high	94.7	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	19.1	179	-54.2	-55	0	0	0	113.3	F192 L201 L211 G214 D218 L219 L225 I227 T239 Y241 L243	F192-F216 AromaticContact CD2-CD1 3.9Å; F192-F216 HydrophobicContact CD2-CD1 3.9Å; F192-F216 AromaticContact CD2-CE1 3.91Å; F192-F216 HydrophobicContact CD2-CE1 3.91Å; F192-F216 HydrophobicContact CE2-CD1 4.2Å; F192-F216 AromaticContact CE2-CE1 3.72Å; F192-F216 HydrophobicContact CE2-CE1 3.72Å; L201-F216 HydrophobicContact CD2-CD1 4.41Å; L201-F216 HydrophobicContact CD2-CE1 3.97Å; L211-F216 HydrophobicContact CD1-CE2 4.25Å; L211-F216 HydrophobicContact CD1-CZ 4.2Å; L211-F216 HydrophobicContact CD2-CZ 4.36Å; G214-F216 PolarHBondContact O-N 3.14Å; F216-D218 PolarHBondContact O-N 3.25Å; F216-L219 HydrophobicContact CB-CB 4.44Å; F216-L219 HydrophobicContact CB-CD1 4.01Å; F216-L219 HydrophobicContact CB-CG 4.32Å; F216-L219 HydrophobicContact CD1-CD1 3.62Å; F216-L219 HydrophobicContact CG-CD1 4.22Å; F216-L219 WeakPolarHBondContact O-CB 3.44Å; F216-L219 PolarHBondContact O-N 2.94Å; F216-L225 HydrophobicContact CD2-CD2 4.08Å; F216-L225 HydrophobicContact CE1-CD1 4.25Å; F216-L225 HydrophobicContact CE1-CD2 4.45Å; F216-L225 HydrophobicContact CE2-CD2 3.61Å; F216-L225 HydrophobicContact CZ-CD1 4.06Å; F216-L225 HydrophobicContact CZ-CD2 3.82Å; F216-I227 HydrophobicContact CZ-CD1 4.28Å; F216-T239 WeakPolarHBondContact CD2-O 3.37Å; F216-T239 HydrophobicContact CE2-CG2 4.38Å; F216-Y241 CarbonylContact C-O 3.13Å; F216-L243 HydrophobicContact CB-CD1 4.18Å; F216-L243 HydrophobicContact CB-CD2 3.83Å; F216-L243 HydrophobicContact CB-CG 3.98Å; F216-L243 HydrophobicContact CD2-CD1 4.01Å; F216-L243 HydrophobicContact CG-CD1 4.34Å
217	E	94.2	Very high	94.6	Very high	89 Å²	89	44.8 Å²	44.8	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-47.1	-170	179	164.3	-150	0	0	114	G214 L219 H220 Y241 G242	G214-E217 VanDerWaalsContact O-CB 3.28Å; G214-E217 WeakPolarHBondContact O-CB 3.5Å; G214-E217 PolarHBondContact O-N 3.3Å; G214-E217 VanDerWaalsContact O-N 3.07Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 2.89Å; E217-H220 PolarHBondContact O-CE1 3.25Å; E217-H220 PolarHBondContact O-ND1 2.83Å; E217-Y241 WeakPolarHBondContact CA-O 3.43Å; E217-Y241 HydrophobicContact CB-CD1 4.41Å; E217-Y241 HydrophobicContact CG-CD1 3.97Å; E217-Y241 HydrophobicContact CG-CE1 4.15Å; E217-Y241 PolarHBondContact N-O 3.16Å; E217-G242 VanDerWaalsContact O-CA 3.29Å; E217-G242 WeakPolarHBondContact O-CA 3.42Å
218	D	94.2	Very high	94.4	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.23	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.8	-178	-65.9	-11.3	0	0	0	113.9	R193 G194 F216 H220	R193-D218 VanDerWaalsContact CA-OD2 3.3Å; R193-D218 WeakPolarHBondContact CA-OD2 3.43Å; R193-D218 WeakPolarHBondContact CG-OD2 3.32Å; G194-D218 PolarHBondContact N-OD2 3.33Å; F216-D218 PolarHBondContact O-N 3.25Å; D218-H220 PolarHBondContact O-N 2.77Å
219	L	95.8	Very high	94.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.			trans	-82.2	48.8	-169.6	-59.2	-169.1	0	0	0	113.5	F192 L195 L198 L201 F216 E217 R221 L222 L243	F192-L219 HydrophobicContact CB-CD1 4.23Å; F192-L219 HydrophobicContact CB-CD2 4.19Å; F192-L219 HydrophobicContact CB-CG 4.41Å; L195-L219 HydrophobicContact CB-CD2 3.55Å; L195-L219 WeakPolarHBondContact O-CD2 3.45Å; L198-L219 HydrophobicContact CB-CD2 4.25Å; L198-L219 HydrophobicContact CD2-CD1 4.31Å; L198-L219 HydrophobicContact CD2-CD2 4.02Å; L201-L219 HydrophobicContact CD2-CD1 4.11Å; F216-L219 HydrophobicContact CB-CB 4.44Å; F216-L219 HydrophobicContact CB-CD1 4.01Å; F216-L219 HydrophobicContact CB-CG 4.32Å; F216-L219 HydrophobicContact CD1-CD1 3.62Å; F216-L219 HydrophobicContact CG-CD1 4.22Å; F216-L219 WeakPolarHBondContact O-CB 3.44Å; F216-L219 PolarHBondContact O-N 2.94Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 2.89Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3.18Å; L219-L222 HydrophobicContact CB-CB 4.05Å; L219-L222 HydrophobicContact CB-CD2 4.5Å; L219-L222 HydrophobicContact CD1-CD2 4.06Å; L219-L222 WeakPolarHBondContact O-CB 3.43Å; L219-L222 PolarHBondContact O-N 3.32Å; L219-L222 VanDerWaalsContact O-N 3.1Å; L219-L243 HydrophobicContact CB-CD2 3.86Å
220	H	94.4	Very high	94.5	Very high	85 Å²	85	39.8 Å²	39.8	39%	0.394	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.4	-170.6	-57.3	-37.1	0	0	0	115.4	E217 D218 G242 S245	E217-H220 PolarHBondContact O-CE1 3.25Å; E217-H220 PolarHBondContact O-ND1 2.83Å; D218-H220 PolarHBondContact O-N 2.77Å; H220-G242 WeakPolarHBondContact CA-O 3.38Å; H220-G242 PolarHBondContact ND1-O 2.89Å; H220-G242 VanDerWaalsContact ND1-O 3.09Å; H220-S245 VanDerWaalsContact O-CB 3.29Å; H220-S245 WeakPolarHBondContact O-CB 3.37Å; H220-S245 PolarHBondContact O-OG 2.66Å
221	R	95.4	Very high	94.6	Very high	152 Å²	152	40.9 Å²	40.9	57%	0.574	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	2.6	177.6	-69	-175	178.7	168.6	-0.7	113.8	N196 L198 L219 E223	N196-R221 WeakPolarHBondContact O-CD 3.36Å; N196-R221 WeakPolarHBondContact O-CG 3.03Å; L198-R221 CarbonylContact O-C 3.17Å; L219-R221 VanDerWaalsContact C-N 3.28Å; L219-R221 PolarHBondContact O-N 3.18Å; R221-E223 PolarHBondContact O-N 3.15Å
222	L	96.1	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.			trans	-67.1	120.2	-177.7	-166.8	76.9	0	0	0	110	L198 L201 L219 L225 L243 S245 L246	L198-L222 HydrophobicContact CB-CD1 4.49Å; L198-L222 HydrophobicContact CD2-CD1 3.98Å; L198-L222 HydrophobicContact CG-CD1 4.03Å; L198-L222 WeakPolarHBondContact O-CA 3.45Å; L198-L222 PolarHBondContact O-N 2.95Å; L201-L222 HydrophobicContact CB-CD1 3.8Å; L201-L222 HydrophobicContact CB-CD2 4.4Å; L219-L222 HydrophobicContact CB-CB 4.05Å; L219-L222 HydrophobicContact CB-CD2 4.5Å; L219-L222 HydrophobicContact CD1-CD2 4.06Å; L219-L222 WeakPolarHBondContact O-CB 3.43Å; L219-L222 PolarHBondContact O-N 3.32Å; L219-L222 VanDerWaalsContact O-N 3.1Å; L222-L225 HydrophobicContact CD2-CB 3.97Å; L222-L225 HydrophobicContact CD2-CD1 4.33Å; L222-L243 HydrophobicContact CB-CD2 3.98Å; L222-L243 HydrophobicContact CD2-CD2 3.68Å; L222-L243 HydrophobicContact CG-CD2 4.45Å; L222-S245 CarbonylContact O-C 3.5Å; L222-L246 HydrophobicContact CD2-CD1 3.99Å; L222-L246 HydrophobicContact CG-CD1 4.07Å; L222-L246 WeakPolarHBondContact O-CA 3.38Å; L222-L246 PolarHBondContact O-N 3.45Å
223	E	93.6	Very high	94.7	Very high	46 Å²	46	38.4 Å²	38.4	22%	0.215	19%	0.192	C	C	.	.			trans	-95.5	-40.1	176.9	-63.1	-175.4	169.4	0	0	110.6	T199 R221 L246 I247 L248	T199-E223 PolarHBondContact O-N 3.26Å; R221-E223 PolarHBondContact O-N 3.15Å; E223-L246 WeakPolarHBondContact O-CD1 3.33Å; E223-I247 HydrophobicContact CB-CD1 4.29Å; E223-I247 HydrophobicContact CB-CG1 4.48Å; E223-I247 HydrophobicContact CG-CD1 4.28Å; E223-I247 PolarHBondContact O-N 3.23Å; E223-L248 PolarHBondContact O-N 3.08Å
224	W	93.3	Very high	94.6	Very high	25 Å²	25	42.2 Å²	42.2	10%	0.095	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.1	-176.6	-55.1	-0.7	0	0	0	112	F98 T199 K200 L201 Y202 I226 L248	F98-W224 AromaticContact CE1-CH2 3.48Å; F98-W224 HydrophobicContact CE1-CH2 3.48Å; F98-W224 VanDerWaalsContact CE1-CH2 3.48Å; F98-W224 AromaticContact CE1-CZ2 3.91Å; F98-W224 HydrophobicContact CE1-CZ2 3.91Å; F98-W224 HydrophobicContact CE2-CH2 4.08Å; F98-W224 AromaticContact CE2-CZ2 3.69Å; F98-W224 HydrophobicContact CE2-CZ2 3.69Å; F98-W224 AromaticContact CZ-CH2 3.09Å; F98-W224 HydrophobicContact CZ-CH2 3.09Å; F98-W224 AromaticContact CZ-CZ2 3.17Å; F98-W224 HydrophobicContact CZ-CZ2 3.17Å; F98-W224 HydrophobicContact CZ-CZ3 4.2Å; T199-W224 PolarHBondContact O-N 3.31Å; K200-W224 HydrophobicContact CD-CD2 4.01Å; K200-W224 HydrophobicContact CD-CE3 3.68Å; K200-W224 HydrophobicContact CD-CH2 4.17Å; K200-W224 HydrophobicContact CD-CZ2 4.49Å; K200-W224 HydrophobicContact CD-CZ3 3.79Å; K200-W224 HydrophobicContact CG-CB 4.33Å; K200-W224 HydrophobicContact CG-CD2 4.14Å; K200-W224 HydrophobicContact CG-CE3 4.12Å; K200-W224 HydrophobicContact CG-CG 4.3Å; K200-W224 VanDerWaalsContact NZ-CZ2 3.31Å; L201-W224 PolarHBondContact N-O 3.02Å; Y202-W224 VanDerWaalsContact OH-CZ3 3.28Å; Y202-W224 WeakPolarHBondContact OH-CZ3 3.34Å; W224-I226 HydrophobicContact CE3-CD1 4.43Å; W224-L248 WeakPolarHBondContact CA-O 3.21Å; W224-L248 HydrophobicContact CB-CD2 4.08Å; W224-L248 HydrophobicContact CG-CB 4.27Å; W224-L248 HydrophobicContact CG-CD2 4.12Å
225	L	96.3	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.2	172.9	179.7	56.3	0	0	0	109.4	L201 F216 L222 I227 F240 L243 L246 L248 L249 V250	L201-L225 HydrophobicContact CB-CD1 4.18Å; L201-L225 HydrophobicContact CD2-CD1 3.91Å; L201-L225 HydrophobicContact CG-CD1 4.06Å; F216-L225 HydrophobicContact CD2-CD2 4.08Å; F216-L225 HydrophobicContact CE1-CD1 4.25Å; F216-L225 HydrophobicContact CE1-CD2 4.45Å; F216-L225 HydrophobicContact CE2-CD2 3.61Å; F216-L225 HydrophobicContact CZ-CD1 4.06Å; F216-L225 HydrophobicContact CZ-CD2 3.82Å; L222-L225 HydrophobicContact CD2-CB 3.97Å; L222-L225 HydrophobicContact CD2-CD1 4.33Å; L225-I227 HydrophobicContact CD1-CD1 3.92Å; L225-I227 HydrophobicContact CD1-CG1 3.95Å; L225-I227 HydrophobicContact CD2-CD1 4.24Å; L225-I227 HydrophobicContact CG-CD1 3.98Å; L225-I227 HydrophobicContact CG-CG1 4.06Å; L225-F240 HydrophobicContact CD2-CE1 4.44Å; L225-L243 HydrophobicContact CD2-CD1 3.97Å; L225-L246 HydrophobicContact CB-CD1 3.79Å; L225-L246 HydrophobicContact CB-CD2 4.45Å; L225-L248 PolarHBondContact N-O 2.9Å; L225-L249 HydrophobicContact CB-CD1 4.16Å; L225-L249 HydrophobicContact CD2-CD1 4.01Å; L225-L249 HydrophobicContact CG-CD1 4.05Å; L225-L249 WeakPolarHBondContact O-CA 3.5Å; L225-V250 PolarHBondContact O-N 3.22Å
226	I	94.1	Very high	94.4	Very high	22 Å²	22	43.5 Å²	43.5	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.1	-174.5	-59.3	172.4	0	0	0	109	L201 Y202 L203 S204 W224 E228 L248 V250	L201-I226 PolarHBondContact O-N 3.37Å; L201-I226 VanDerWaalsContact O-N 3.07Å; Y202-I226 HydrophobicContact CD1-CB 4.3Å; Y202-I226 HydrophobicContact CD1-CD1 3.89Å; Y202-I226 HydrophobicContact CE1-CD1 3.57Å; L203-I226 PolarHBondContact N-O 3.11Å; S204-I226 WeakPolarHBondContact OG-CG2 3.24Å; W224-I226 HydrophobicContact CE3-CD1 4.43Å; I226-E228 HydrophobicContact CG2-CB 4.48Å; I226-L248 HydrophobicContact CD1-CD2 3.89Å; I226-L248 HydrophobicContact CG1-CD2 3.75Å; I226-V250 HydrophobicContact CB-CB 4.39Å; I226-V250 HydrophobicContact CG1-CB 4.2Å; I226-V250 HydrophobicContact CG1-CG2 4.24Å; I226-V250 HydrophobicContact CG2-CB 4.08Å; I226-V250 HydrophobicContact CG2-CG1 4.21Å
227	I	95.5	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.			trans	-134	51.2	-176.2	-34.8	-177.8	0	0	0	109.9	L203 I208 L211 F216 L225 N230 L232 V250 L251 N254	L203-I227 HydrophobicContact CB-CG1 4.35Å; L203-I227 HydrophobicContact CB-CG2 4.08Å; L203-I227 HydrophobicContact CD1-CD1 4.3Å; L203-I227 HydrophobicContact CD1-CG1 4.35Å; I208-I227 HydrophobicContact CD1-CG2 4.19Å; L211-I227 HydrophobicContact CD1-CD1 3.63Å; F216-I227 HydrophobicContact CZ-CD1 4.28Å; L225-I227 HydrophobicContact CD1-CD1 3.92Å; L225-I227 HydrophobicContact CD1-CG1 3.95Å; L225-I227 HydrophobicContact CD2-CD1 4.24Å; L225-I227 HydrophobicContact CG-CD1 3.98Å; L225-I227 HydrophobicContact CG-CG1 4.06Å; I227-N230 HydrophobicContact CG2-CB 4.36Å; I227-L232 HydrophobicContact CG2-CD1 4.09Å; I227-V250 PolarHBondContact N-O 3.29Å; I227-L251 HydrophobicContact CB-CD2 4.12Å; I227-L251 HydrophobicContact CD1-CD2 4.3Å; I227-L251 HydrophobicContact CG1-CD2 4.4Å; I227-N254 PolarHBondContact O-ND2 3.46Å
228	E	92.8	Very high	94.1	Very high	49 Å²	49	42.3 Å²	42.3	23%	0.229	20%	0.202	C	C	.	.			trans	-70.1	156.6	176.1	177.2	-177.8	-178.2	0	0	112.2	S204 H205 I226 N230 V250 M252	S204-E228 CarbonylContact C-O 3.14Å; S204-E228 VanDerWaalsContact CA-O 3.25Å; S204-E228 WeakPolarHBondContact CA-O 3.47Å; H205-E228 PolarHBondContact N-O 3.49Å; I226-E228 HydrophobicContact CG2-CB 4.48Å; E228-N230 PolarHBondContact O-N 2.99Å; E228-N230 PolarHBondContact O-ND2 2.9Å; E228-V250 HydrophobicContact CB-CG1 4.5Å; E228-M252 WeakPolarHBondContact CA-O 3.23Å; E228-M252 HydrophobicContact CG-CB 4.36Å; E228-M252 HydrophobicContact CG-CE 3.9Å; E228-M252 WeakPolarHBondContact OE1-CE 3.26Å
229	D	94.9	Very high	94	Very high	55 Å²	55	40.3 Å²	40.3	29%	0.294	19%	0.192	S	C	.	.	S	Bend	trans	46.7	62.9	172.6	-81.9	-25.6	0	0	0	112.6	H205 N206 M252 N253	H205-D229 VanDerWaalsContact CA-O 3.29Å; H205-D229 WeakPolarHBondContact CA-O 3.36Å; H205-D229 IonicContact CE1-OD2 2.62Å; H205-D229 PolarHBondContact CE1-OD2 3.24Å; H205-D229 PolarHBondContact N-O 3.42Å; H205-D229 VanDerWaalsContact ND1-CB 3.34Å; H205-D229 WeakPolarHBondContact ND1-CB 3.17Å; H205-D229 IonicContact ND1-OD2 2.69Å; H205-D229 PolarHBondContact ND1-OD2 3.42Å; N206-D229 PolarHBondContact N-O 3.36Å; D229-M252 PolarHBondContact N-O 3.06Å; D229-M252 VanDerWaalsContact N-O 3.12Å; D229-N253 WeakPolarHBondContact OD1-CB 3.39Å; D229-N253 PolarHBondContact OD1-ND2 3.41Å
230	N	96.6	Very high	94	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.011	19%	0.192	C	C	.	.	S	Bend	trans	-134.2	-170.1	-179.8	-93.8	-86.6	0	0	0	109.4	L203 N206 R207 I208 I227 E228 N253 N254	L203-N230 PolarHBondContact O-ND2 3.08Å; N206-N230 WeakPolarHBondContact CA-OD1 3.37Å; N206-N230 WeakPolarHBondContact CB-OD1 3.45Å; N206-N230 PolarHBondContact N-ND2 2.95Å; R207-N230 PolarHBondContact N-OD1 3.23Å; I208-N230 VanDerWaalsContact CB-OD1 3.26Å; I208-N230 WeakPolarHBondContact CB-OD1 3.18Å; I208-N230 VanDerWaalsContact CG1-OD1 3.27Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.36Å; I208-N230 PolarHBondContact N-OD1 2.96Å; I227-N230 HydrophobicContact CG2-CB 4.36Å; E228-N230 PolarHBondContact O-N 2.99Å; E228-N230 PolarHBondContact O-ND2 2.9Å; N230-N253 PolarHBondContact N-O 3.02Å; N230-N254 WeakPolarHBondContact CA-OD1 3.1Å; N230-N254 WeakPolarHBondContact CB-OD1 3.27Å
231	H	95.6	Very high	94	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.44	19%	0.194	S	C	.	.			trans	-121.1	30.8	-175.9	-60.4	-26.3	0	0	0	112.1	I208 T209 S233 N254 V255	I208-H231 CarbonylContact O-C 3.31Å; I208-H231 WeakPolarHBondContact O-CA 3.13Å; I208-H231 PolarHBondContact O-N 3.39Å; T209-H231 WeakPolarHBondContact CA-O 3.48Å; T209-H231 HydrophobicContact CG2-CB 4.06Å; H231-S233 PolarHBondContact O-N 3.36Å; H231-N254 PolarHBondContact N-OD1 2.88Å; H231-V255 WeakPolarHBondContact O-CG2 3.26Å
232	L	95.8	Very high	93.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.17	C	C	.	.			trans	-64.9	117.9	178.8	-62.5	174.8	0	0	0	110	I208 L211 I227 L251 N254 V255 L256	I208-L232 HydrophobicContact CB-CD2 4.44Å; I208-L232 HydrophobicContact CG2-CD2 3.81Å; I208-L232 PolarHBondContact O-N 3.07Å; L211-L232 HydrophobicContact CD1-CD1 4.11Å; L211-L232 HydrophobicContact CD1-CD2 4.18Å; L211-L232 HydrophobicContact CG-CD2 3.97Å; I227-L232 HydrophobicContact CG2-CD1 4.09Å; L232-L251 HydrophobicContact CD1-CD2 3.97Å; L232-N254 HydrophobicContact CB-CB 4.16Å; L232-N254 WeakPolarHBondContact CB-OD1 2.94Å; L232-N254 VanDerWaalsContact CG-OD1 3.3Å; L232-N254 WeakPolarHBondContact CG-OD1 3.49Å; L232-N254 PolarHBondContact N-OD1 2.98Å; L232-V255 CarbonylContact O-C 3.49Å; L232-V255 WeakPolarHBondContact O-CA 3.34Å; L232-V255 WeakPolarHBondContact O-CG2 3.34Å; L232-V255 PolarHBondContact O-N 3.04Å; L232-L256 HydrophobicContact CB-CD2 4.05Å; L232-L256 WeakPolarHBondContact O-CD2 3.29Å; L232-L256 PolarHBondContact O-N 3.41Å; L232-L256 VanDerWaalsContact O-N 3.13Å
233	S	92.8	Very high	93.6	Very high	51 Å²	51	34.8 Å²	34.8	36%	0.357	17%	0.17	S	C	.	.			trans	-93.3	-20.4	-179.5	53	0	0	0	0	113.9	H231	H231-S233 PolarHBondContact O-N 3.36Å
234	R	91.8	Very high	93.6	Very high	150 Å²	150	36.7 Å²	36.7	57%	0.566	18%	0.181	S	C	*	.			trans	-157.9	145.1	-178.3	54.2	-177.7	167.5	-173.2	-6.7	110.7	F210	F210-R234 HydrophobicContact CD2-CG 3.99Å; F210-R234 HydrophobicContact CE2-CG 4.08Å
235	I	92.6	Very high	93.7	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.082	19%	0.187	C	C	.	.			trans	-115.5	154.4	165.7	58.8	178.4	0	0	0	109.7	F240 L251 L256 L259 L264	I235-F240 HydrophobicContact CB-CE2 4.2Å; I235-F240 HydrophobicContact CB-CZ 4.31Å; I235-F240 HydrophobicContact CD1-CE2 4.4Å; I235-F240 HydrophobicContact CG2-CZ 4.27Å; I235-L251 HydrophobicContact CD1-CD1 4.15Å; I235-L251 HydrophobicContact CG2-CD1 4.23Å; I235-L256 HydrophobicContact CG2-CD1 4.37Å; I235-L256 HydrophobicContact CG2-CD2 3.93Å; I235-L259 HydrophobicContact CD1-CD2 4.12Å; I235-L264 HydrophobicContact CD1-CD1 3.91Å
236	S	90.9	Very high	93.6	Very high	32 Å²	32	36.9 Å²	36.9	22%	0.224	19%	0.187	C	C	.	.			trans	-131.8	141.5	174.2	79.1	0	0	0	0	109.3	P238 T239	S236-P238 VanDerWaalsContact C-CD 3.48Å; S236-P238 VanDerWaalsContact C-N 3.31Å; S236-T239 WeakPolarHBondContact O-CB 3.23Å; S236-T239 PolarHBondContact O-N 3.48Å; S236-T239 PolarHBondContact O-OG1 3.44Å; S236-T239 PolarHBondContact OG-N 2.97Å; S236-T239 PolarHBondContact OG-OG1 2.77Å
237	P	91	Very high	93.5	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.045	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.9	-38.6	179.7	-25.2	34.9	0	0	0	113.9	T239 F240 P260 K262 H267	P237-T239 PolarHBondContact O-N 3.28Å; P237-T239 VanDerWaalsContact O-N 3.12Å; P237-F240 PolarHBondContact O-N 2.9Å; P237-P260 HydrophobicContact CG-CB 4.07Å; P237-P260 HydrophobicContact CG-CG 3.95Å; P237-K262 HydrophobicContact CG-CB 4.04Å; P237-H267 PolarHBondContact O-CD2 3.04Å
238	P	92.6	Very high	93.3	Very high	57 Å²	57	37.5 Å²	37.5	37%	0.37	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-63.2	-12.7	173.4	-25.8	37.2	0	0	0	115.7	P213 G214 S236 F240	P213-P238 WeakPolarHBondContact CA-O 3.39Å; P213-P238 HydrophobicContact CB-CB 4.05Å; G214-P238 PolarHBondContact N-O 2.77Å; S236-P238 VanDerWaalsContact C-CD 3.48Å; S236-P238 VanDerWaalsContact C-N 3.31Å; P238-F240 PolarHBondContact O-N 2.85Å
239	T	93.1	Very high	93.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.2	-32.7	169.9	-57.8	0	0	0	0	111.2	L211 V215 F216 S236 P237	L211-T239 HydrophobicContact CB-CG2 3.49Å; L211-T239 VanDerWaalsContact CB-CG2 3.49Å; L211-T239 HydrophobicContact CD1-CG2 4.39Å; L211-T239 PolarHBondContact O-OG1 3.09Å; V215-T239 HydrophobicContact CG1-CG2 4.15Å; F216-T239 WeakPolarHBondContact CD2-O 3.37Å; F216-T239 HydrophobicContact CE2-CG2 4.38Å; S236-T239 WeakPolarHBondContact O-CB 3.23Å; S236-T239 PolarHBondContact O-N 3.48Å; S236-T239 PolarHBondContact O-OG1 3.44Å; S236-T239 PolarHBondContact OG-N 2.97Å; S236-T239 PolarHBondContact OG-OG1 2.77Å; P237-T239 PolarHBondContact O-N 3.28Å; P237-T239 VanDerWaalsContact O-N 3.12Å
240	F	94.6	Very high	93.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-96.4	14.8	-176.8	-53.4	-68.7	0	0	0	113.3	L225 I235 P237 P238 G242 L243 L249 L264 H267 M268	L225-F240 HydrophobicContact CD2-CE1 4.44Å; I235-F240 HydrophobicContact CB-CE2 4.2Å; I235-F240 HydrophobicContact CB-CZ 4.31Å; I235-F240 HydrophobicContact CD1-CE2 4.4Å; I235-F240 HydrophobicContact CG2-CZ 4.27Å; P237-F240 PolarHBondContact O-N 2.9Å; P238-F240 PolarHBondContact O-N 2.85Å; F240-G242 PolarHBondContact O-N 3.38Å; F240-L243 HydrophobicContact CB-CD1 4.02Å; F240-L243 HydrophobicContact CD1-CD1 3.88Å; F240-L243 HydrophobicContact CG-CD1 4.45Å; F240-L243 WeakPolarHBondContact O-CB 3.41Å; F240-L243 PolarHBondContact O-N 3.46Å; F240-L249 HydrophobicContact CE1-CD1 4.18Å; F240-L249 HydrophobicContact CE1-CD2 3.94Å; F240-L249 HydrophobicContact CZ-CD2 4.01Å; F240-L264 HydrophobicContact CD2-CD1 4.38Å; F240-L264 HydrophobicContact CE2-CD1 4Å; F240-H267 VanDerWaalsContact O-CB 3.31Å; F240-H267 WeakPolarHBondContact O-CB 3.29Å; F240-M268 HydrophobicContact CB-CE 3.97Å; F240-M268 HydrophobicContact CB-CG 3.95Å; F240-M268 HydrophobicContact CB-SD 3.67Å; F240-M268 HydrophobicContact CD1-CE 4.35Å; F240-M268 HydrophobicContact CD1-SD 3.87Å; F240-M268 HydrophobicContact CD2-CE 3.7Å; F240-M268 HydrophobicContact CD2-SD 4.26Å; F240-M268 HydrophobicContact CE2-CE 4.27Å; F240-M268 HydrophobicContact CG-CE 3.75Å; F240-M268 HydrophobicContact CG-SD 3.67Å
241	Y	94.1	Very high	93.4	Very high	115 Å²	115	33.3 Å²	33.3	45%	0.451	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135	173.9	-169.1	-100.6	0	0	0	110.1	F216 E217 H267	F216-Y241 CarbonylContact C-O 3.13Å; E217-Y241 WeakPolarHBondContact CA-O 3.43Å; E217-Y241 HydrophobicContact CB-CD1 4.41Å; E217-Y241 HydrophobicContact CG-CD1 3.97Å; E217-Y241 HydrophobicContact CG-CE1 4.15Å; E217-Y241 PolarHBondContact N-O 3.16Å; Y241-H267 AromaticContact CD2-CE1 3.62Å; Y241-H267 AromaticContact CD2-ND1 3.62Å
242	G	89.4	Confident	93.3	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-21.4	-177.4	0	0	0	0	0	115.8	E217 H220 F240 N244	E217-G242 VanDerWaalsContact O-CA 3.29Å; E217-G242 WeakPolarHBondContact O-CA 3.42Å; H220-G242 WeakPolarHBondContact CA-O 3.38Å; H220-G242 PolarHBondContact ND1-O 2.89Å; H220-G242 VanDerWaalsContact ND1-O 3.09Å; F240-G242 PolarHBondContact O-N 3.38Å; G242-N244 PolarHBondContact O-N 3.35Å
243	L	95.3	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.			trans	-79.6	51.2	-169.8	-65.1	-174.7	0	0	0	115	F216 L219 L222 L225 F240 S245 L246 H267 M268	F216-L243 HydrophobicContact CB-CD1 4.18Å; F216-L243 HydrophobicContact CB-CD2 3.83Å; F216-L243 HydrophobicContact CB-CG 3.98Å; F216-L243 HydrophobicContact CD2-CD1 4.01Å; F216-L243 HydrophobicContact CG-CD1 4.34Å; L219-L243 HydrophobicContact CB-CD2 3.86Å; L222-L243 HydrophobicContact CB-CD2 3.98Å; L222-L243 HydrophobicContact CD2-CD2 3.68Å; L222-L243 HydrophobicContact CG-CD2 4.45Å; L225-L243 HydrophobicContact CD2-CD1 3.97Å; F240-L243 HydrophobicContact CB-CD1 4.02Å; F240-L243 HydrophobicContact CD1-CD1 3.88Å; F240-L243 HydrophobicContact CG-CD1 4.45Å; F240-L243 WeakPolarHBondContact O-CB 3.41Å; F240-L243 PolarHBondContact O-N 3.46Å; L243-S245 VanDerWaalsContact C-N 3.26Å; L243-S245 PolarHBondContact O-N 2.87Å; L243-L246 HydrophobicContact CB-CB 4.16Å; L243-L246 HydrophobicContact CD1-CD2 4.07Å; L243-L246 PolarHBondContact O-N 3.1Å; L243-H267 CarbonylContact C-O 3.37Å; L243-M268 HydrophobicContact CB-CG 4Å; L243-M268 HydrophobicContact CD1-SD 4.49Å
244	N	93.3	Very high	93.4	Very high	85 Å²	85	30.9 Å²	30.9	46%	0.455	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.5	-173.1	-63.9	-35.1	0	0	0	114.6	G242	G242-N244 PolarHBondContact O-N 3.35Å
245	S	94.8	Very high	93.6	Very high	30 Å²	30	26.4 Å²	26.4	21%	0.21	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.2	-177.7	-55.9	0	0	0	0	114.1	H220 L222 L243 I247	H220-S245 VanDerWaalsContact O-CB 3.29Å; H220-S245 WeakPolarHBondContact O-CB 3.37Å; H220-S245 PolarHBondContact O-OG 2.66Å; L222-S245 CarbonylContact O-C 3.5Å; L243-S245 VanDerWaalsContact C-N 3.26Å; L243-S245 PolarHBondContact O-N 2.87Å; S245-I247 PolarHBondContact O-N 3.3Å
246	L	94.8	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.			trans	-66.2	124.6	-171.3	-162.3	78.5	0	0	0	111.7	L222 E223 L225 L243 L249 M268 R270 L271	L222-L246 HydrophobicContact CD2-CD1 3.99Å; L222-L246 HydrophobicContact CG-CD1 4.07Å; L222-L246 WeakPolarHBondContact O-CA 3.38Å; L222-L246 PolarHBondContact O-N 3.45Å; E223-L246 WeakPolarHBondContact O-CD1 3.33Å; L225-L246 HydrophobicContact CB-CD1 3.79Å; L225-L246 HydrophobicContact CB-CD2 4.45Å; L243-L246 HydrophobicContact CB-CB 4.16Å; L243-L246 HydrophobicContact CD1-CD2 4.07Å; L243-L246 PolarHBondContact O-N 3.1Å; L246-L249 HydrophobicContact CD2-CB 4.01Å; L246-M268 HydrophobicContact CD2-CG 4.15Å; L246-M268 HydrophobicContact CD2-SD 3.52Å; L246-M268 VanDerWaalsContact CD2-SD 3.52Å; L246-R270 CarbonylContact O-C 3.16Å; L246-R270 VanDerWaalsContact O-O 3.04Å; L246-L271 HydrophobicContact CD2-CD1 4.08Å; L246-L271 HydrophobicContact CG-CD1 4.34Å; L246-L271 VanDerWaalsContact O-CA 3.25Å; L246-L271 WeakPolarHBondContact O-CA 3.49Å; L246-L271 PolarHBondContact O-N 3.13Å
247	I	91.5	Very high	93.9	Very high	26 Å²	26	27.4 Å²	27.4	13%	0.133	15%	0.15	C	C	.	.			trans	-102.7	-40.6	179.5	-60.9	175.4	0	0	0	110.3	E223 S245 H272 W273	E223-I247 HydrophobicContact CB-CD1 4.29Å; E223-I247 HydrophobicContact CB-CG1 4.48Å; E223-I247 HydrophobicContact CG-CD1 4.28Å; E223-I247 PolarHBondContact O-N 3.23Å; S245-I247 PolarHBondContact O-N 3.3Å; I247-H272 HydrophobicContact CG2-CB 4.12Å; I247-H272 PolarHBondContact O-N 2.76Å; I247-W273 PolarHBondContact O-N 3.41Å
248	L	91.4	Very high	93.9	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.1	-172.3	179.7	125.4	0	0	0	111.2	F94 E223 W224 L225 I226 V250 W273	F94-L248 HydrophobicContact CE2-CD1 3.8Å; F94-L248 HydrophobicContact CZ-CD1 3.93Å; E223-L248 PolarHBondContact O-N 3.08Å; W224-L248 WeakPolarHBondContact CA-O 3.21Å; W224-L248 HydrophobicContact CB-CD2 4.08Å; W224-L248 HydrophobicContact CG-CB 4.27Å; W224-L248 HydrophobicContact CG-CD2 4.12Å; L225-L248 PolarHBondContact N-O 2.9Å; I226-L248 HydrophobicContact CD1-CD2 3.89Å; I226-L248 HydrophobicContact CG1-CD2 3.75Å; L248-V250 HydrophobicContact CD2-CG2 3.79Å; L248-V250 HydrophobicContact CG-CG2 4.1Å; L248-W273 HydrophobicContact CB-CB 4.43Å; L248-W273 HydrophobicContact CD1-CB 3.96Å; L248-W273 HydrophobicContact CD1-CD2 4.07Å; L248-W273 HydrophobicContact CD1-CG 3.71Å; L248-W273 HydrophobicContact CG-CB 4.31Å; L248-W273 HydrophobicContact CG-CG 4.26Å
249	L	95.3	Very high	93.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.6	172.8	176.7	56.9	0	0	0	109.6	L225 F240 L246 L251 M268 L271 W273 L274 D275	L225-L249 HydrophobicContact CB-CD1 4.16Å; L225-L249 HydrophobicContact CD2-CD1 4.01Å; L225-L249 HydrophobicContact CG-CD1 4.05Å; L225-L249 WeakPolarHBondContact O-CA 3.5Å; F240-L249 HydrophobicContact CE1-CD1 4.18Å; F240-L249 HydrophobicContact CE1-CD2 3.94Å; F240-L249 HydrophobicContact CZ-CD2 4.01Å; L246-L249 HydrophobicContact CD2-CB 4.01Å; L249-L251 HydrophobicContact CD1-CD1 4.31Å; L249-L251 HydrophobicContact CD1-CD2 4.22Å; L249-L251 HydrophobicContact CD1-CG 4.03Å; L249-L251 HydrophobicContact CD2-CD1 4.13Å; L249-L251 HydrophobicContact CG-CD1 4.16Å; L249-L251 HydrophobicContact CG-CG 4.15Å; L249-M268 HydrophobicContact CD2-CE 4.09Å; L249-M268 HydrophobicContact CD2-SD 3.96Å; L249-L271 HydrophobicContact CB-CD1 3.75Å; L249-W273 PolarHBondContact N-O 2.63Å; L249-L274 HydrophobicContact CB-CD1 4.23Å; L249-L274 HydrophobicContact CD2-CD1 3.88Å; L249-L274 HydrophobicContact CG-CD1 4.02Å; L249-D275 PolarHBondContact O-N 2.88Å
250	V	94.4	Very high	93.6	Very high	17 Å²	17	33.1 Å²	33.1	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.1	177.9	176.7	0	0	0	0	110.2	L225 I226 I227 E228 L248 M252 D275	L225-V250 PolarHBondContact O-N 3.22Å; I226-V250 HydrophobicContact CB-CB 4.39Å; I226-V250 HydrophobicContact CG1-CB 4.2Å; I226-V250 HydrophobicContact CG1-CG2 4.24Å; I226-V250 HydrophobicContact CG2-CB 4.08Å; I226-V250 HydrophobicContact CG2-CG1 4.21Å; I227-V250 PolarHBondContact N-O 3.29Å; E228-V250 HydrophobicContact CB-CG1 4.5Å; L248-V250 HydrophobicContact CD2-CG2 3.79Å; L248-V250 HydrophobicContact CG-CG2 4.1Å; V250-M252 HydrophobicContact CG1-CB 4.19Å; V250-D275 HydrophobicContact CB-CB 4.25Å; V250-D275 HydrophobicContact CG1-CB 4.09Å; V250-D275 HydrophobicContact CG2-CB 4.11Å
251	L	95.7	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.			trans	-126.2	25.4	179.2	-63.5	170.9	0	0	0	111.7	I227 L232 I235 L249 N254 L256 D275 L276 N279	I227-L251 HydrophobicContact CB-CD2 4.12Å; I227-L251 HydrophobicContact CD1-CD2 4.3Å; I227-L251 HydrophobicContact CG1-CD2 4.4Å; L232-L251 HydrophobicContact CD1-CD2 3.97Å; I235-L251 HydrophobicContact CD1-CD1 4.15Å; I235-L251 HydrophobicContact CG2-CD1 4.23Å; L249-L251 HydrophobicContact CD1-CD1 4.31Å; L249-L251 HydrophobicContact CD1-CD2 4.22Å; L249-L251 HydrophobicContact CD1-CG 4.03Å; L249-L251 HydrophobicContact CD2-CD1 4.13Å; L249-L251 HydrophobicContact CG-CD1 4.16Å; L249-L251 HydrophobicContact CG-CG 4.15Å; L251-N254 PolarHBondContact O-ND2 3.33Å; L251-N254 VanDerWaalsContact O-ND2 3.1Å; L251-L256 HydrophobicContact CB-CD1 4.43Å; L251-L256 HydrophobicContact CD1-CD1 4.43Å; L251-D275 WeakPolarHBondContact CB-O 3.43Å; L251-D275 PolarHBondContact N-O 3.3Å; L251-L276 HydrophobicContact CB-CD2 4.11Å; L251-L276 HydrophobicContact CD1-CD2 4.05Å; L251-N279 PolarHBondContact O-ND2 3.45Å
252	M	94	Very high	92.8	Very high	37 Å²	37	37.7 Å²	37.7	18%	0.182	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	149.2	-179.1	-175.4	171.7	78.8	0	0	112.3	E228 D229 V250 N254 E277	E228-M252 WeakPolarHBondContact CA-O 3.23Å; E228-M252 HydrophobicContact CG-CB 4.36Å; E228-M252 HydrophobicContact CG-CE 3.9Å; E228-M252 WeakPolarHBondContact OE1-CE 3.26Å; D229-M252 PolarHBondContact N-O 3.06Å; D229-M252 VanDerWaalsContact N-O 3.12Å; V250-M252 HydrophobicContact CG1-CB 4.19Å; M252-N254 VanDerWaalsContact C-N 3.32Å; M252-N254 PolarHBondContact O-N 3.4Å; M252-N254 PolarHBondContact O-ND2 3.28Å; M252-E277 CarbonylContact C-O 3.58Å; M252-E277 VanDerWaalsContact CA-O 3.3Å; M252-E277 WeakPolarHBondContact CA-O 3.27Å; M252-E277 HydrophobicContact CG-CB 3.85Å; M252-E277 HydrophobicContact CG-CG 4.18Å; M252-E277 HydrophobicContact SD-CB 4.04Å; M252-E277 HydrophobicContact SD-CG 4.11Å
253	N	95.2	Very high	92.9	Very high	57 Å²	57	38.9 Å²	38.9	31%	0.305	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	47.2	175.3	-62.7	-15.5	0	0	0	113.6	D229 N230 E277	D229-N253 WeakPolarHBondContact OD1-CB 3.39Å; D229-N253 PolarHBondContact OD1-ND2 3.41Å; N230-N253 PolarHBondContact N-O 3.02Å; N253-E277 PolarHBondContact N-O 3.42Å
254	N	96.2	Very high	92.7	Very high	3 Å²	3	39 Å²	39	2%	0.016	20%	0.198	C	C	.	.			trans	-107.2	-176.2	168	-82.2	-91	0	0	0	110	I227 N230 H231 L232 L251 M252 L256 N279	I227-N254 PolarHBondContact O-ND2 3.46Å; N230-N254 WeakPolarHBondContact CA-OD1 3.1Å; N230-N254 WeakPolarHBondContact CB-OD1 3.27Å; H231-N254 PolarHBondContact N-OD1 2.88Å; L232-N254 HydrophobicContact CB-CB 4.16Å; L232-N254 WeakPolarHBondContact CB-OD1 2.94Å; L232-N254 VanDerWaalsContact CG-OD1 3.3Å; L232-N254 WeakPolarHBondContact CG-OD1 3.49Å; L232-N254 PolarHBondContact N-OD1 2.98Å; L251-N254 PolarHBondContact O-ND2 3.33Å; L251-N254 VanDerWaalsContact O-ND2 3.1Å; M252-N254 VanDerWaalsContact C-N 3.32Å; M252-N254 PolarHBondContact O-N 3.4Å; M252-N254 PolarHBondContact O-ND2 3.28Å; N254-L256 HydrophobicContact CB-CG 4.26Å; N254-N279 WeakPolarHBondContact CA-OD1 3.49Å; N254-N279 WeakPolarHBondContact CB-OD1 3.15Å; N254-N279 PolarHBondContact O-OD1 3.08Å
255	V	96.3	Very high	92.7	Very high	56 Å²	56	35 Å²	35	34%	0.339	18%	0.178	S	C	.	.			trans	-109.8	34.9	-179.8	-65.3	0	0	0	0	111.8	H231 L232 T257	H231-V255 WeakPolarHBondContact O-CG2 3.26Å; L232-V255 CarbonylContact O-C 3.49Å; L232-V255 WeakPolarHBondContact O-CA 3.34Å; L232-V255 WeakPolarHBondContact O-CG2 3.34Å; L232-V255 PolarHBondContact O-N 3.04Å; V255-T257 PolarHBondContact O-N 3.21Å
256	L	95.4	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.			trans	-66.9	116	-179.8	-60.1	174.6	0	0	0	110	L232 I235 L251 N254 L276 N279 H280 I281	L232-L256 HydrophobicContact CB-CD2 4.05Å; L232-L256 WeakPolarHBondContact O-CD2 3.29Å; L232-L256 PolarHBondContact O-N 3.41Å; L232-L256 VanDerWaalsContact O-N 3.13Å; I235-L256 HydrophobicContact CG2-CD1 4.37Å; I235-L256 HydrophobicContact CG2-CD2 3.93Å; L251-L256 HydrophobicContact CB-CD1 4.43Å; L251-L256 HydrophobicContact CD1-CD1 4.43Å; N254-L256 HydrophobicContact CB-CG 4.26Å; L256-L276 HydrophobicContact CD1-CD2 3.92Å; L256-N279 HydrophobicContact CB-CB 4.22Å; L256-N279 WeakPolarHBondContact CB-OD1 3.28Å; L256-N279 WeakPolarHBondContact CG-OD1 3.34Å; L256-N279 PolarHBondContact N-OD1 3.15Å; L256-H280 CarbonylContact O-C 3.55Å; L256-H280 VanDerWaalsContact O-CA 3.26Å; L256-H280 WeakPolarHBondContact O-CA 3.09Å; L256-H280 PolarHBondContact O-N 3.13Å; L256-I281 HydrophobicContact CB-CG1 4.42Å; L256-I281 PolarHBondContact O-N 3.3Å; L256-I281 VanDerWaalsContact O-N 3.14Å
257	T	92.7	Very high	92.4	Very high	68 Å²	68	41 Å²	41	42%	0.417	20%	0.202	S	C	.	.			trans	-88.3	-23.2	-178.6	49.2	0	0	0	0	113.6	V255 H280 H282	V255-T257 PolarHBondContact O-N 3.21Å; T257-H280 WeakPolarHBondContact CA-O 3.36Å; T257-H280 HydrophobicContact CG2-CB 4.48Å; T257-H282 PolarHBondContact O-N 3.23Å
258	R	91.1	Very high	92.5	Very high	163 Å²	163	39.8 Å²	39.8	62%	0.615	20%	0.196	S	C	*	.			trans	-158.4	147	-179.1	57.5	-178	174.9	-176.1	-1.3	111
259	L	91.5	Very high	92.5	Very high	7 Å²	7	43 Å²	43	4%	0.037	22%	0.217	C	C	.	.			trans	-79.6	160.4	166.2	-64.8	-176.7	0	0	0	110.6	I235 L276 I281 L284 T288 F289	I235-L259 HydrophobicContact CD1-CD2 4.12Å; L259-L276 HydrophobicContact CD1-CD1 4.03Å; L259-L276 HydrophobicContact CD2-CD1 3.9Å; L259-L276 HydrophobicContact CD2-CD2 4.2Å; L259-I281 HydrophobicContact CD1-CD1 4.43Å; L259-I281 HydrophobicContact CD2-CD1 3.86Å; L259-I281 HydrophobicContact CG-CD1 3.99Å; L259-I281 HydrophobicContact CG-CG2 4.34Å; L259-L284 HydrophobicContact CD1-CD2 3.74Å; L259-T288 HydrophobicContact CB-CG2 3.77Å; L259-T288 HydrophobicContact CD1-CG2 3.93Å; L259-T288 HydrophobicContact CG-CG2 4.48Å; L259-F289 HydrophobicContact CD1-CE1 4.47Å; L259-F289 HydrophobicContact CD1-CZ 3.9Å
260	P	88.3	Confident	92.4	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.104	24%	0.244	C	C	.	.			trans	-71.5	151.5	-177.4	27.6	-34.8	0	0	0	113.3	P237 K262 L264 T288	P237-P260 HydrophobicContact CG-CB 4.07Å; P237-P260 HydrophobicContact CG-CG 3.95Å; P260-K262 PolarHBondContact O-N 3.24Å; P260-L264 HydrophobicContact CG-CD1 3.97Å; P260-T288 PolarHBondContact O-OG1 2.94Å
261	D	84	Confident	92.3	Very high	71 Å²	71	49.6 Å²	49.6	38%	0.38	24%	0.24	S	C	.	.	S	Bend	trans	-80.3	8.7	179.5	-56.8	-11.5	0	0	0	113	R285	D261-R285 IonicContact OD1-CZ 2.9Å; D261-R285 IonicContact OD1-NE 3.28Å; D261-R285 PolarHBondContact OD1-NE 2.85Å; D261-R285 IonicContact OD1-NH1 3.27Å; D261-R285 PolarHBondContact OD1-NH1 2.78Å; D261-R285 IonicContact OD1-NH2 2.83Å; D261-R285 PolarHBondContact OD1-NH2 2.83Å; D261-R285 IonicContact OD2-CZ 3.09Å; D261-R285 IonicContact OD2-NH1 2.8Å; D261-R285 PolarHBondContact OD2-NH1 3.48Å; D261-R285 IonicContact OD2-NH2 2.83Å; D261-R285 PolarHBondContact OD2-NH2 2.03Å
262	K	88.1	Confident	92.1	Very high	140 Å²	140	52 Å²	52	61%	0.609	25%	0.251	S	S	*	.	S	Bend	trans	-126.2	158	-177.8	-69.1	-174.6	179.6	-172.4	0	108.7	P237 P260 L264	P237-K262 HydrophobicContact CG-CB 4.04Å; P260-K262 PolarHBondContact O-N 3.24Å; K262-L264 PolarHBondContact O-N 3.17Å; K262-L264 VanDerWaalsContact O-N 3.15Å
263	P	91.6	Very high	91.9	Very high	32 Å²	32	52.2 Å²	52.2	21%	0.208	25%	0.25	C	S	.	.			trans	-59.9	119.5	-175.8	-20.4	32.1	0	0	0	111.5	Q266 I290 S291	P263-Q266 HydrophobicContact CB-CB 4.35Å; P263-I290 HydrophobicContact CB-CG2 3.75Å; P263-I290 HydrophobicContact CG-CG2 3.62Å; P263-S291 VanDerWaalsContact CB-OG 3.26Å; P263-S291 WeakPolarHBondContact CB-OG 3.43Å
264	L	91.5	Very high	91.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69	-45.8	-172.4	179	60.1	0	0	0	111.8	I235 F240 P260 K262 Q266 M268 L274 T288	I235-L264 HydrophobicContact CD1-CD1 3.91Å; F240-L264 HydrophobicContact CD2-CD1 4.38Å; F240-L264 HydrophobicContact CE2-CD1 4Å; P260-L264 HydrophobicContact CG-CD1 3.97Å; K262-L264 PolarHBondContact O-N 3.17Å; K262-L264 VanDerWaalsContact O-N 3.15Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.13Å; L264-M268 HydrophobicContact CD1-CE 4.44Å; L264-M268 HydrophobicContact CG-CE 4.39Å; L264-M268 WeakPolarHBondContact O-CE 2.96Å; L264-L274 HydrophobicContact CD2-CD2 3.81Å; L264-T288 HydrophobicContact CB-CG2 4.37Å; L264-T288 WeakPolarHBondContact CB-O 3.09Å; L264-T288 PolarHBondContact N-O 3.47Å
265	C	92.4	Very high	91.8	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-83.5	10.6	-175.9	-50.1	0	0	0	0	114.5	H267 M268 C292	C265-H267 PolarHBondContact O-N 2.63Å; C265-H267 VanDerWaalsContact O-N 3.14Å; C265-M268 CarbonylContact O-C 3.21Å; C265-M268 VanDerWaalsContact O-C 3.32Å; C265-M268 PolarHBondContact O-N 3.16Å; C265-C292 HydrophobicContact CB-CB 3.9Å; C265-C292 WeakPolarHBondContact CB-SG 3.47Å; C265-C292 VanDerWaalsContact SG-CA 3.6Å; C265-C292 WeakPolarHBondContact SG-CB 3.17Å; C265-C292 CovalentContact SG-SG 2.04Å; C265-C292 PolarHBondContact SG-SG 3.25Å
266	Q	91.8	Very high	91.8	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-56.1	-33.1	-178.4	-178.2	173.9	-1.8	0	0	113.3	P263 L264	P263-Q266 HydrophobicContact CB-CB 4.35Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.13Å
267	H	92.4	Very high	91.8	Very high	41 Å²	41	48.8 Å²	48.8	19%	0.19	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-106.1	8.5	177.7	-58.6	-60.5	0	0	0	113.4	P237 F240 Y241 L243 C265	P237-H267 PolarHBondContact O-CD2 3.04Å; F240-H267 VanDerWaalsContact O-CB 3.31Å; F240-H267 WeakPolarHBondContact O-CB 3.29Å; Y241-H267 AromaticContact CD2-CE1 3.62Å; Y241-H267 AromaticContact CD2-ND1 3.62Å; L243-H267 CarbonylContact C-O 3.37Å; C265-H267 PolarHBondContact O-N 2.63Å; C265-H267 VanDerWaalsContact O-N 3.14Å
268	M	94.1	Very high	91.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.218	C	C	.	.			trans	-135	61.4	-179.6	-60.7	176.2	-67.5	0	0	109.8	F240 L243 L246 L249 L264 C265 R270 L271	F240-M268 HydrophobicContact CB-CE 3.97Å; F240-M268 HydrophobicContact CB-CG 3.95Å; F240-M268 HydrophobicContact CB-SD 3.67Å; F240-M268 HydrophobicContact CD1-CE 4.35Å; F240-M268 HydrophobicContact CD1-SD 3.87Å; F240-M268 HydrophobicContact CD2-CE 3.7Å; F240-M268 HydrophobicContact CD2-SD 4.26Å; F240-M268 HydrophobicContact CE2-CE 4.27Å; F240-M268 HydrophobicContact CG-CE 3.75Å; F240-M268 HydrophobicContact CG-SD 3.67Å; L243-M268 HydrophobicContact CB-CG 4Å; L243-M268 HydrophobicContact CD1-SD 4.49Å; L246-M268 HydrophobicContact CD2-CG 4.15Å; L246-M268 HydrophobicContact CD2-SD 3.52Å; L246-M268 VanDerWaalsContact CD2-SD 3.52Å; L249-M268 HydrophobicContact CD2-CE 4.09Å; L249-M268 HydrophobicContact CD2-SD 3.96Å; L264-M268 HydrophobicContact CD1-CE 4.44Å; L264-M268 HydrophobicContact CG-CE 4.39Å; L264-M268 WeakPolarHBondContact O-CE 2.96Å; C265-M268 CarbonylContact O-C 3.21Å; C265-M268 VanDerWaalsContact O-C 3.32Å; C265-M268 PolarHBondContact O-N 3.16Å; M268-R270 PolarHBondContact O-N 3Å; M268-R270 VanDerWaalsContact O-N 3.13Å; M268-L271 HydrophobicContact CB-CB 4.21Å; M268-L271 HydrophobicContact CE-CD2 4.44Å; M268-L271 WeakPolarHBondContact O-CB 3.41Å; M268-L271 PolarHBondContact O-N 3.17Å
269	P	91.5	Very high	92.2	Very high	75 Å²	75	38.7 Å²	38.7	49%	0.487	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.5	-171.2	29.4	-37.1	0	0	0	114
270	R	91.8	Very high	92.4	Very high	152 Å²	152	41.5 Å²	41.5	57%	0.574	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.5	179	-74.9	-174.4	147.3	-179	-6.9	113.9	L246 M268 H272	L246-R270 CarbonylContact O-C 3.16Å; L246-R270 VanDerWaalsContact O-O 3.04Å; M268-R270 PolarHBondContact O-N 3Å; M268-R270 VanDerWaalsContact O-N 3.13Å; R270-H272 PolarHBondContact O-CE1 3.21Å; R270-H272 PolarHBondContact O-N 3.31Å; R270-H272 PolarHBondContact O-ND1 3.37Å
271	L	92.6	Very high	92.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.197	C	C	.	.			trans	-66.1	121.9	-178.4	-167.6	69.1	0	0	0	110.7	L246 L249 M268 W273 L274 N294 L295	L246-L271 HydrophobicContact CD2-CD1 4.08Å; L246-L271 HydrophobicContact CG-CD1 4.34Å; L246-L271 VanDerWaalsContact O-CA 3.25Å; L246-L271 WeakPolarHBondContact O-CA 3.49Å; L246-L271 PolarHBondContact O-N 3.13Å; L249-L271 HydrophobicContact CB-CD1 3.75Å; M268-L271 HydrophobicContact CB-CB 4.21Å; M268-L271 HydrophobicContact CE-CD2 4.44Å; M268-L271 WeakPolarHBondContact O-CB 3.41Å; M268-L271 PolarHBondContact O-N 3.17Å; L271-W273 WeakPolarHBondContact CD1-O 3.29Å; L271-L274 HydrophobicContact CD2-CB 4.21Å; L271-N294 CarbonylContact O-C 3.4Å; L271-L295 HydrophobicContact CD2-CD1 4.09Å; L271-L295 HydrophobicContact CG-CD1 3.98Å; L271-L295 WeakPolarHBondContact O-CA 3.48Å; L271-L295 PolarHBondContact O-N 3.05Å
272	H	91.4	Very high	93.1	Very high	50 Å²	50	41.4 Å²	41.4	23%	0.231	20%	0.197	C	C	.	.			trans	-105.8	-42.3	176.1	-68.4	79.9	0	0	0	110.8	W90 I247 R270 N294 L295 T296 V297	W90-H272 HydrophobicContact CH2-CB 3.93Å; W90-H272 AromaticContact CH2-CD2 3.94Å; W90-H272 HydrophobicContact CZ2-CB 3.99Å; I247-H272 HydrophobicContact CG2-CB 4.12Å; I247-H272 PolarHBondContact O-N 2.76Å; R270-H272 PolarHBondContact O-CE1 3.21Å; R270-H272 PolarHBondContact O-N 3.31Å; R270-H272 PolarHBondContact O-ND1 3.37Å; H272-N294 PolarHBondContact CE1-ND2 3.37Å; H272-N294 PolarHBondContact NE2-ND2 3.02Å; H272-L295 VanDerWaalsContact O-CD1 3.3Å; H272-L295 WeakPolarHBondContact O-CD1 3.36Å; H272-T296 PolarHBondContact O-N 3.45Å; H272-T296 PolarHBondContact O-OG1 3.43Å; H272-T296 VanDerWaalsContact O-OG1 3.1Å; H272-V297 PolarHBondContact O-N 3.32Å
273	W	90.9	Very high	92.9	Very high	43 Å²	43	39 Å²	39	16%	0.163	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.7	-179.6	-178.4	-64.9	0	0	0	111.8	W90 I247 L248 L249 L271 V297 V299	W90-W273 HydrophobicContact CB-CE3 4.25Å; W90-W273 HydrophobicContact CB-CZ3 3.97Å; W90-W273 AromaticContact CD1-CE3 3.2Å; W90-W273 AromaticContact CD1-CZ3 3.35Å; W90-W273 AromaticContact CG-CE3 3.84Å; W90-W273 HydrophobicContact CG-CE3 3.84Å; W90-W273 AromaticContact CG-CZ3 3.94Å; W90-W273 HydrophobicContact CG-CZ3 3.94Å; W90-W273 AromaticContact NE1-CE3 3.66Å; I247-W273 PolarHBondContact O-N 3.41Å; L248-W273 HydrophobicContact CB-CB 4.43Å; L248-W273 HydrophobicContact CD1-CB 3.96Å; L248-W273 HydrophobicContact CD1-CD2 4.07Å; L248-W273 HydrophobicContact CD1-CG 3.71Å; L248-W273 HydrophobicContact CG-CB 4.31Å; L248-W273 HydrophobicContact CG-CG 4.26Å; L249-W273 PolarHBondContact N-O 2.63Å; L271-W273 WeakPolarHBondContact CD1-O 3.29Å; W273-V297 HydrophobicContact CB-CB 4.42Å; W273-V297 HydrophobicContact CD2-CB 4.05Å; W273-V297 HydrophobicContact CD2-CG1 3.8Å; W273-V297 HydrophobicContact CD2-CG2 4.4Å; W273-V297 HydrophobicContact CE3-CB 3.81Å; W273-V297 HydrophobicContact CE3-CG1 3.67Å; W273-V297 HydrophobicContact CE3-CG2 3.67Å; W273-V297 HydrophobicContact CG-CB 4.31Å; W273-V297 HydrophobicContact CG-CG1 4.37Å; W273-V297 HydrophobicContact CH2-CG1 4.28Å; W273-V297 HydrophobicContact CZ2-CG1 4.4Å; W273-V297 HydrophobicContact CZ3-CB 4.41Å; W273-V297 HydrophobicContact CZ3-CG1 3.91Å; W273-V297 HydrophobicContact CZ3-CG2 4.08Å; W273-V299 HydrophobicContact CZ2-CG2 4.43Å
274	L	94.6	Very high	92.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.5	170.5	177.8	57.9	0	0	0	110.6	L249 L264 L271 L276 F289 L295 V297 L298 V299	L249-L274 HydrophobicContact CB-CD1 4.23Å; L249-L274 HydrophobicContact CD2-CD1 3.88Å; L249-L274 HydrophobicContact CG-CD1 4.02Å; L264-L274 HydrophobicContact CD2-CD2 3.81Å; L271-L274 HydrophobicContact CD2-CB 4.21Å; L274-L276 HydrophobicContact CD1-CD1 4.48Å; L274-L276 HydrophobicContact CD1-CG 4.23Å; L274-L276 HydrophobicContact CD2-CD1 4.07Å; L274-L276 HydrophobicContact CG-CD1 4.11Å; L274-L276 HydrophobicContact CG-CG 4.2Å; L274-F289 HydrophobicContact CD2-CE1 4.28Å; L274-L295 HydrophobicContact CB-CD1 3.82Å; L274-L295 HydrophobicContact CB-CD2 4.44Å; L274-V297 PolarHBondContact N-O 3.44Å; L274-V297 VanDerWaalsContact N-O 3.07Å; L274-L298 HydrophobicContact CB-CD1 4.27Å; L274-L298 HydrophobicContact CD2-CD1 4.01Å; L274-L298 HydrophobicContact CG-CD1 4.17Å; L274-V299 PolarHBondContact O-N 3.14Å; L274-V299 VanDerWaalsContact O-N 3.08Å
275	D	94	Very high	92.4	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.7	174.2	-153.6	-42.6	0	0	0	112	L249 V250 L251 E277	L249-D275 PolarHBondContact O-N 2.88Å; V250-D275 HydrophobicContact CB-CB 4.25Å; V250-D275 HydrophobicContact CG1-CB 4.09Å; V250-D275 HydrophobicContact CG2-CB 4.11Å; L251-D275 WeakPolarHBondContact CB-O 3.43Å; L251-D275 PolarHBondContact N-O 3.3Å; D275-E277 WeakPolarHBondContact OD1-CB 3.46Å; D275-E277 PolarHBondContact OD1-N 3.08Å
276	L	96	Very high	91.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.			trans	-132.5	19.9	176.2	-64.7	163.9	0	0	0	111.4	L251 L256 L259 L274 N279 I281 V299 M300 N303	L251-L276 HydrophobicContact CB-CD2 4.11Å; L251-L276 HydrophobicContact CD1-CD2 4.05Å; L256-L276 HydrophobicContact CD1-CD2 3.92Å; L259-L276 HydrophobicContact CD1-CD1 4.03Å; L259-L276 HydrophobicContact CD2-CD1 3.9Å; L259-L276 HydrophobicContact CD2-CD2 4.2Å; L274-L276 HydrophobicContact CD1-CD1 4.48Å; L274-L276 HydrophobicContact CD1-CG 4.23Å; L274-L276 HydrophobicContact CD2-CD1 4.07Å; L274-L276 HydrophobicContact CG-CD1 4.11Å; L274-L276 HydrophobicContact CG-CG 4.2Å; L276-N279 PolarHBondContact O-ND2 3.17Å; L276-N279 VanDerWaalsContact O-ND2 3.15Å; L276-I281 HydrophobicContact CB-CD1 4.11Å; L276-I281 HydrophobicContact CD1-CD1 4.17Å; L276-I281 HydrophobicContact CD2-CD1 4.41Å; L276-I281 HydrophobicContact CG-CD1 4.48Å; L276-V299 PolarHBondContact N-O 3.3Å; L276-M300 HydrophobicContact CB-CG 4.22Å; L276-M300 HydrophobicContact CD1-CG 4.15Å; L276-M300 HydrophobicContact CD1-SD 4.29Å; L276-N303 PolarHBondContact O-ND2 3.25Å
277	E	95.2	Very high	91.3	Very high	27 Å²	27	45.6 Å²	45.6	13%	0.126	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	148.7	179.3	174.3	164.6	159.5	0	0	112	M252 N253 D275 N279 V299 R301 K302	M252-E277 CarbonylContact C-O 3.58Å; M252-E277 VanDerWaalsContact CA-O 3.3Å; M252-E277 WeakPolarHBondContact CA-O 3.27Å; M252-E277 HydrophobicContact CG-CB 3.85Å; M252-E277 HydrophobicContact CG-CG 4.18Å; M252-E277 HydrophobicContact SD-CB 4.04Å; M252-E277 HydrophobicContact SD-CG 4.11Å; N253-E277 PolarHBondContact N-O 3.42Å; D275-E277 WeakPolarHBondContact OD1-CB 3.46Å; D275-E277 PolarHBondContact OD1-N 3.08Å; E277-N279 PolarHBondContact O-N 3.3Å; E277-N279 VanDerWaalsContact O-N 3.15Å; E277-N279 PolarHBondContact O-ND2 2.94Å; E277-V299 HydrophobicContact CB-CG1 4.02Å; E277-R301 WeakPolarHBondContact CA-O 3.36Å; E277-R301 HydrophobicContact CG-CB 4.18Å; E277-K302 HydrophobicContact CG-CB 4.45Å; E277-K302 HydrophobicContact CG-CD 4.29Å; E277-K302 WeakPolarHBondContact OE1-CD 3.37Å; E277-K302 WeakPolarHBondContact OE1-CE 3.2Å; E277-K302 IonicContact OE1-NZ 2.9Å; E277-K302 PolarHBondContact OE1-NZ 3.43Å
278	G	95.3	Very high	91.1	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	13.5	168.4	0	0	0	0	0	114.8	R301	G278-R301 PolarHBondContact N-O 3.06Å; G278-R301 VanDerWaalsContact N-O 3.09Å
279	N	96.9	Very high	91	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.21	C	C	.	.			trans	-89.4	-167.9	178.2	-82.4	-89.1	0	0	0	112	L251 N254 L256 L276 E277 I281 N303	L251-N279 PolarHBondContact O-ND2 3.45Å; N254-N279 WeakPolarHBondContact CA-OD1 3.49Å; N254-N279 WeakPolarHBondContact CB-OD1 3.15Å; N254-N279 PolarHBondContact O-OD1 3.08Å; L256-N279 HydrophobicContact CB-CB 4.22Å; L256-N279 WeakPolarHBondContact CB-OD1 3.28Å; L256-N279 WeakPolarHBondContact CG-OD1 3.34Å; L256-N279 PolarHBondContact N-OD1 3.15Å; L276-N279 PolarHBondContact O-ND2 3.17Å; L276-N279 VanDerWaalsContact O-ND2 3.15Å; E277-N279 PolarHBondContact O-N 3.3Å; E277-N279 VanDerWaalsContact O-N 3.15Å; E277-N279 PolarHBondContact O-ND2 2.94Å; N279-I281 HydrophobicContact CB-CD1 4.35Å; N279-I281 HydrophobicContact CB-CG1 4.28Å; N279-N303 WeakPolarHBondContact CA-OD1 3.45Å; N279-N303 WeakPolarHBondContact CB-OD1 3.28Å; N279-N303 PolarHBondContact O-OD1 3.35Å
280	H	96	Very high	90.9	Very high	67 Å²	67	44.3 Å²	44.3	31%	0.31	21%	0.208	S	C	.	.			trans	-123	31	-177.3	-66.7	-8.2	0	0	0	112	L256 T257 H282 N303 K304	L256-H280 CarbonylContact O-C 3.55Å; L256-H280 VanDerWaalsContact O-CA 3.26Å; L256-H280 WeakPolarHBondContact O-CA 3.09Å; L256-H280 PolarHBondContact O-N 3.13Å; T257-H280 WeakPolarHBondContact CA-O 3.36Å; T257-H280 HydrophobicContact CG2-CB 4.48Å; H280-H282 PolarHBondContact O-CD2 3.14Å; H280-H282 PolarHBondContact O-N 3.41Å; H280-N303 PolarHBondContact N-OD1 3.38Å; H280-K304 HydrophobicContact CB-CD 4.18Å; H280-K304 PolarHBondContact CD2-NZ 3.12Å; H280-K304 PolarHBondContact CE1-NZ 3.47Å; H280-K304 VanDerWaalsContact CG-NZ 3.28Å; H280-K304 PolarHBondContact ND1-NZ 3.17Å; H280-K304 PolarHBondContact NE2-NZ 3.26Å
281	I	95.3	Very high	90.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.			trans	-68.9	124.1	-175.1	-59.9	165.5	0	0	0	109.4	L256 L259 L276 N279 L284 N303 K304 I305	L256-I281 HydrophobicContact CB-CG1 4.42Å; L256-I281 PolarHBondContact O-N 3.3Å; L256-I281 VanDerWaalsContact O-N 3.14Å; L259-I281 HydrophobicContact CD1-CD1 4.43Å; L259-I281 HydrophobicContact CD2-CD1 3.86Å; L259-I281 HydrophobicContact CG-CD1 3.99Å; L259-I281 HydrophobicContact CG-CG2 4.34Å; L276-I281 HydrophobicContact CB-CD1 4.11Å; L276-I281 HydrophobicContact CD1-CD1 4.17Å; L276-I281 HydrophobicContact CD2-CD1 4.41Å; L276-I281 HydrophobicContact CG-CD1 4.48Å; N279-I281 HydrophobicContact CB-CD1 4.35Å; N279-I281 HydrophobicContact CB-CG1 4.28Å; I281-L284 HydrophobicContact CG2-CD2 4.08Å; I281-N303 HydrophobicContact CB-CB 4.42Å; I281-N303 VanDerWaalsContact CB-OD1 3.31Å; I281-N303 WeakPolarHBondContact CB-OD1 3.43Å; I281-N303 WeakPolarHBondContact CG1-OD1 3.45Å; I281-N303 PolarHBondContact N-OD1 3.44Å; I281-K304 CarbonylContact O-C 3.41Å; I281-K304 WeakPolarHBondContact O-CA 3.49Å; I281-K304 PolarHBondContact O-N 2.92Å; I281-I305 HydrophobicContact CG2-CG1 4.39Å; I281-I305 WeakPolarHBondContact O-CG1 3.32Å; I281-I305 PolarHBondContact O-N 3.01Å; I281-I305 VanDerWaalsContact O-N 3.11Å
282	H	91.4	Very high	90.8	Very high	84 Å²	84	39.3 Å²	39.3	39%	0.389	20%	0.197	S	C	.	.			trans	-95.2	-46.4	-178.4	-73	-77.6	0	0	0	114.2	T257 H280 I305 N306	T257-H282 PolarHBondContact O-N 3.23Å; H280-H282 PolarHBondContact O-CD2 3.14Å; H280-H282 PolarHBondContact O-N 3.41Å; H282-I305 VanDerWaalsContact O-CA 3.3Å; H282-I305 WeakPolarHBondContact O-CA 3.4Å; H282-N306 PolarHBondContact O-N 3.25Å; H282-N306 PolarHBondContact O-OD1 2.97Å
283	N	84.6	Confident	90.7	Very high	89 Å²	89	40.5 Å²	40.5	48%	0.476	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-132.9	137.9	-172.9	-61.7	19	0	0	0	110	N306	N283-N306 PolarHBondContact OD1-OD1 3.13Å
284	L	88.2	Confident	90.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.213	C	C	.	.			trans	-98.5	135.6	169.1	-58.6	178.4	0	0	0	109.7	L259 I281 F289 M300 I305 L308 T312 F313	L259-L284 HydrophobicContact CD1-CD2 3.74Å; I281-L284 HydrophobicContact CG2-CD2 4.08Å; L284-F289 HydrophobicContact CD1-CE2 4.4Å; L284-F289 HydrophobicContact CD2-CE2 4.32Å; L284-M300 HydrophobicContact CD1-CE 3.61Å; L284-M300 HydrophobicContact CD1-SD 4.2Å; L284-M300 HydrophobicContact CD2-CE 4.48Å; L284-M300 HydrophobicContact CD2-SD 3.98Å; L284-I305 HydrophobicContact CD1-CD1 4.18Å; L284-I305 HydrophobicContact CD2-CD1 4.45Å; L284-I305 HydrophobicContact CG-CD1 4.31Å; L284-L308 HydrophobicContact CD1-CD2 3.79Å; L284-T312 HydrophobicContact CB-CG2 3.76Å; L284-T312 HydrophobicContact CD1-CG2 3.92Å; L284-F313 HydrophobicContact CD1-CE1 4.16Å; L284-F313 HydrophobicContact CD1-CZ 4.09Å
285	R	84.2	Confident	90.6	Very high	118 Å²	118	40.3 Å²	40.3	45%	0.445	21%	0.213	S	C	.	.			trans	-106.5	144.7	176.4	-60.5	-161.8	-167.8	167.4	28.4	110.9	D261 L287 T288	D261-R285 IonicContact OD1-CZ 2.9Å; D261-R285 IonicContact OD1-NE 3.28Å; D261-R285 PolarHBondContact OD1-NE 2.85Å; D261-R285 IonicContact OD1-NH1 3.27Å; D261-R285 PolarHBondContact OD1-NH1 2.78Å; D261-R285 IonicContact OD1-NH2 2.83Å; D261-R285 PolarHBondContact OD1-NH2 2.83Å; D261-R285 IonicContact OD2-CZ 3.09Å; D261-R285 IonicContact OD2-NH1 2.8Å; D261-R285 PolarHBondContact OD2-NH1 3.48Å; D261-R285 IonicContact OD2-NH2 2.83Å; D261-R285 PolarHBondContact OD2-NH2 2.03Å; R285-L287 PolarHBondContact O-N 3.34Å; R285-T288 WeakPolarHBondContact O-CB 3.38Å; R285-T288 PolarHBondContact O-N 3.34Å; R285-T288 PolarHBondContact O-OG1 3.48Å
286	N	76.9	Confident	90.5	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.5	-174.8	-53.7	2.9	0	0	0	113.3	N309	N286-N309 WeakPolarHBondContact OD1-CB 3.27Å; N286-N309 PolarHBondContact OD1-ND2 2.91Å
287	L	84.1	Confident	90.3	Very high	99 Å²	99	40.2 Å²	40.2	52%	0.518	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.4	-179.2	-63.1	176.4	0	0	0	114.4	R285 F289 I290	R285-L287 PolarHBondContact O-N 3.34Å; L287-F289 PolarHBondContact O-N 2.86Å; L287-I290 HydrophobicContact CD2-CD1 4.29Å; L287-I290 WeakPolarHBondContact O-CG2 3.24Å
288	T	87.6	Confident	90.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-41.7	-173.7	-60.2	0	0	0	0	111.8	L259 P260 L264 R285	L259-T288 HydrophobicContact CB-CG2 3.77Å; L259-T288 HydrophobicContact CD1-CG2 3.93Å; L259-T288 HydrophobicContact CG-CG2 4.48Å; P260-T288 PolarHBondContact O-OG1 2.94Å; L264-T288 HydrophobicContact CB-CG2 4.37Å; L264-T288 WeakPolarHBondContact CB-O 3.09Å; L264-T288 PolarHBondContact N-O 3.47Å; R285-T288 WeakPolarHBondContact O-CB 3.38Å; R285-T288 PolarHBondContact O-N 3.34Å; R285-T288 PolarHBondContact O-OG1 3.48Å
289	F	91.7	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	4	-174.4	-61.4	-61	0	0	0	114.9	L259 L274 L284 L287 S291 C292 L298 M300 T312 P315 L316	L259-F289 HydrophobicContact CD1-CE1 4.47Å; L259-F289 HydrophobicContact CD1-CZ 3.9Å; L274-F289 HydrophobicContact CD2-CE1 4.28Å; L284-F289 HydrophobicContact CD1-CE2 4.4Å; L284-F289 HydrophobicContact CD2-CE2 4.32Å; L287-F289 PolarHBondContact O-N 2.86Å; F289-S291 PolarHBondContact O-N 3.35Å; F289-C292 HydrophobicContact CB-CB 4.46Å; F289-C292 WeakPolarHBondContact O-CB 3.36Å; F289-C292 PolarHBondContact O-N 3.32Å; F289-L298 HydrophobicContact CE1-CD1 4.24Å; F289-L298 HydrophobicContact CE1-CD2 4.16Å; F289-L298 HydrophobicContact CE2-CD2 4.33Å; F289-L298 HydrophobicContact CZ-CD1 4.34Å; F289-L298 HydrophobicContact CZ-CD2 3.92Å; F289-M300 HydrophobicContact CZ-SD 4.1Å; F289-T312 HydrophobicContact CD2-CG2 4.41Å; F289-T312 HydrophobicContact CE2-CG2 4.47Å; F289-P315 WeakPolarHBondContact O-CB 3.49Å; F289-L316 HydrophobicContact CB-CD2 4.04Å; F289-L316 HydrophobicContact CB-CG 4.39Å; F289-L316 HydrophobicContact CG-CD1 4.48Å
290	I	90.2	Very high	90.2	Very high	90 Å²	90	38.5 Å²	38.5	46%	0.462	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	-170.6	-161.3	168.3	0	0	0	114.7	P263 L287	P263-I290 HydrophobicContact CB-CG2 3.75Å; P263-I290 HydrophobicContact CG-CG2 3.62Å; L287-I290 HydrophobicContact CD2-CD1 4.29Å; L287-I290 WeakPolarHBondContact O-CG2 3.24Å
291	S	89.9	Confident	90.1	Very high	47 Å²	47	39 Å²	39	33%	0.329	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.8	175.6	-56.9	0	0	0	0	114.1	P263 F289 S293	P263-S291 VanDerWaalsContact CB-OG 3.26Å; P263-S291 WeakPolarHBondContact CB-OG 3.43Å; F289-S291 PolarHBondContact O-N 3.35Å; S291-S293 VanDerWaalsContact C-N 3.32Å; S291-S293 PolarHBondContact O-N 2.9Å
292	C	91.9	Very high	90.1	Very high	4 Å²	4	44 Å²	44	3%	0.027	22%	0.222	C	C	.	.			trans	-95.1	38.4	-175	-57	0	0	0	0	112.4	C265 F289 N294 L295 L316	C265-C292 HydrophobicContact CB-CB 3.9Å; C265-C292 WeakPolarHBondContact CB-SG 3.47Å; C265-C292 VanDerWaalsContact SG-CA 3.6Å; C265-C292 WeakPolarHBondContact SG-CB 3.17Å; C265-C292 CovalentContact SG-SG 2.04Å; C265-C292 PolarHBondContact SG-SG 3.25Å; F289-C292 HydrophobicContact CB-CB 4.46Å; F289-C292 WeakPolarHBondContact O-CB 3.36Å; F289-C292 PolarHBondContact O-N 3.32Å; C292-N294 PolarHBondContact O-N 3.19Å; C292-N294 VanDerWaalsContact O-N 3.13Å; C292-L295 HydrophobicContact CB-CB 4.36Å; C292-L295 WeakPolarHBondContact O-CB 3.08Å; C292-L295 PolarHBondContact O-N 3.21Å; C292-L316 HydrophobicContact CB-CD2 3.78Å; C292-L316 WeakPolarHBondContact O-CD2 3.34Å
293	S	89.7	Confident	90.4	Very high	74 Å²	74	40.4 Å²	40.4	52%	0.517	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.6	-172.1	56.5	0	0	0	0	115.1	S291	S291-S293 VanDerWaalsContact C-N 3.32Å; S291-S293 PolarHBondContact O-N 2.9Å
294	N	91.2	Very high	91	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	5	179.6	-147.9	75	0	0	0	113.7	L271 H272 C292 K318	L271-N294 CarbonylContact O-C 3.4Å; H272-N294 PolarHBondContact CE1-ND2 3.37Å; H272-N294 PolarHBondContact NE2-ND2 3.02Å; C292-N294 PolarHBondContact O-N 3.19Å; C292-N294 VanDerWaalsContact O-N 3.13Å; N294-K318 PolarHBondContact OD1-NZ 3.27Å
295	L	92.8	Very high	91.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.			trans	-71.2	130.4	178.2	-163.4	77.6	0	0	0	110.5	L271 H272 L274 C292 L298 L316 K318 L319	L271-L295 HydrophobicContact CD2-CD1 4.09Å; L271-L295 HydrophobicContact CG-CD1 3.98Å; L271-L295 WeakPolarHBondContact O-CA 3.48Å; L271-L295 PolarHBondContact O-N 3.05Å; H272-L295 VanDerWaalsContact O-CD1 3.3Å; H272-L295 WeakPolarHBondContact O-CD1 3.36Å; L274-L295 HydrophobicContact CB-CD1 3.82Å; L274-L295 HydrophobicContact CB-CD2 4.44Å; C292-L295 HydrophobicContact CB-CB 4.36Å; C292-L295 WeakPolarHBondContact O-CB 3.08Å; C292-L295 PolarHBondContact O-N 3.21Å; L295-L298 HydrophobicContact CD2-CB 3.99Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L295-L298 HydrophobicContact CD2-CG 4.5Å; L295-L316 HydrophobicContact CB-CD2 4.19Å; L295-L316 HydrophobicContact CD2-CD2 4.09Å; L295-K318 CarbonylContact O-C 3.43Å; L295-L319 HydrophobicContact CD2-CD1 4.22Å; L295-L319 HydrophobicContact CG-CD1 4.35Å; L295-L319 PolarHBondContact O-N 2.91Å
296	T	91.4	Very high	91.7	Very high	15 Å²	15	37.3 Å²	37.3	9%	0.092	20%	0.195	C	C	.	.			trans	-109.4	-27.1	178.8	54.4	0	0	0	0	112.1	W90 H272 D320 E321	W90-T296 HydrophobicContact CE3-CG2 4.35Å; W90-T296 HydrophobicContact CH2-CG2 4.29Å; W90-T296 WeakPolarHBondContact CH2-OG1 3.5Å; W90-T296 HydrophobicContact CZ3-CG2 3.69Å; W90-T296 WeakPolarHBondContact CZ3-OG1 3.44Å; H272-T296 PolarHBondContact O-N 3.45Å; H272-T296 PolarHBondContact O-OG1 3.43Å; H272-T296 VanDerWaalsContact O-OG1 3.1Å; T296-D320 PolarHBondContact O-N 2.74Å; T296-E321 PolarHBondContact O-N 2.96Å
297	V	92.2	Very high	92.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.4	-179.5	180	0	0	0	0	110.8	W90 H272 W273 L274 V299 E321	W90-V297 HydrophobicContact CB-CG2 3.1Å; W90-V297 HydrophobicContact CD2-CG2 3.78Å; W90-V297 HydrophobicContact CE3-CG2 4.21Å; W90-V297 HydrophobicContact CG-CG2 3.37Å; H272-V297 PolarHBondContact O-N 3.32Å; W273-V297 HydrophobicContact CB-CB 4.42Å; W273-V297 HydrophobicContact CD2-CB 4.05Å; W273-V297 HydrophobicContact CD2-CG1 3.8Å; W273-V297 HydrophobicContact CD2-CG2 4.4Å; W273-V297 HydrophobicContact CE3-CB 3.81Å; W273-V297 HydrophobicContact CE3-CG1 3.67Å; W273-V297 HydrophobicContact CE3-CG2 3.67Å; W273-V297 HydrophobicContact CG-CB 4.31Å; W273-V297 HydrophobicContact CG-CG1 4.37Å; W273-V297 HydrophobicContact CH2-CG1 4.28Å; W273-V297 HydrophobicContact CZ2-CG1 4.4Å; W273-V297 HydrophobicContact CZ3-CB 4.41Å; W273-V297 HydrophobicContact CZ3-CG1 3.91Å; W273-V297 HydrophobicContact CZ3-CG2 4.08Å; L274-V297 PolarHBondContact N-O 3.44Å; L274-V297 VanDerWaalsContact N-O 3.07Å; V297-V299 HydrophobicContact CG1-CG2 3.89Å; V297-E321 HydrophobicContact CG1-CB 4.39Å; V297-E321 HydrophobicContact CG2-CB 4.19Å
298	L	95	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	104	172.2	-178.5	56.5	0	0	0	110.4	L274 F289 L295 M300 F313 L316 L319 E321 L322 D323	L274-L298 HydrophobicContact CB-CD1 4.27Å; L274-L298 HydrophobicContact CD2-CD1 4.01Å; L274-L298 HydrophobicContact CG-CD1 4.17Å; F289-L298 HydrophobicContact CE1-CD1 4.24Å; F289-L298 HydrophobicContact CE1-CD2 4.16Å; F289-L298 HydrophobicContact CE2-CD2 4.33Å; F289-L298 HydrophobicContact CZ-CD1 4.34Å; F289-L298 HydrophobicContact CZ-CD2 3.92Å; L295-L298 HydrophobicContact CD2-CB 3.99Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L295-L298 HydrophobicContact CD2-CG 4.5Å; L298-M300 HydrophobicContact CD1-CE 4.39Å; L298-M300 HydrophobicContact CD1-CG 3.88Å; L298-M300 HydrophobicContact CD1-SD 4.01Å; L298-M300 HydrophobicContact CD2-CE 3.67Å; L298-M300 HydrophobicContact CD2-SD 4.26Å; L298-M300 HydrophobicContact CG-CE 3.92Å; L298-M300 HydrophobicContact CG-CG 4.1Å; L298-M300 HydrophobicContact CG-SD 4.2Å; L298-F313 HydrophobicContact CD2-CD1 4.47Å; L298-F313 HydrophobicContact CD2-CE1 4.2Å; L298-L316 HydrophobicContact CD2-CD1 3.83Å; L298-L319 HydrophobicContact CB-CD1 3.92Å; L298-E321 PolarHBondContact N-O 3.42Å; L298-L322 HydrophobicContact CB-CD1 4.17Å; L298-L322 HydrophobicContact CD2-CD1 4.1Å; L298-L322 HydrophobicContact CG-CD1 4.19Å; L298-D323 PolarHBondContact O-N 3.08Å
299	V	94.6	Very high	92.7	Very high	10 Å²	10	38 Å²	38	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.8	174.8	-173.4	0	0	0	0	109.1	W273 L274 L276 E277 V297 R301 D323	W273-V299 HydrophobicContact CZ2-CG2 4.43Å; L274-V299 PolarHBondContact O-N 3.14Å; L274-V299 VanDerWaalsContact O-N 3.08Å; L276-V299 PolarHBondContact N-O 3.3Å; E277-V299 HydrophobicContact CB-CG1 4.02Å; V297-V299 HydrophobicContact CG1-CG2 3.89Å; V299-R301 HydrophobicContact CG1-CB 4.3Å; V299-D323 HydrophobicContact CG1-CB 4.25Å
300	M	95.3	Very high	92.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.			trans	-130.6	27.4	174.5	-62.9	-172.1	-62.8	0	0	111.6	L276 L284 F289 L298 N303 I305 F313 D323 L324 N327	L276-M300 HydrophobicContact CB-CG 4.22Å; L276-M300 HydrophobicContact CD1-CG 4.15Å; L276-M300 HydrophobicContact CD1-SD 4.29Å; L284-M300 HydrophobicContact CD1-CE 3.61Å; L284-M300 HydrophobicContact CD1-SD 4.2Å; L284-M300 HydrophobicContact CD2-CE 4.48Å; L284-M300 HydrophobicContact CD2-SD 3.98Å; F289-M300 HydrophobicContact CZ-SD 4.1Å; L298-M300 HydrophobicContact CD1-CE 4.39Å; L298-M300 HydrophobicContact CD1-CG 3.88Å; L298-M300 HydrophobicContact CD1-SD 4.01Å; L298-M300 HydrophobicContact CD2-CE 3.67Å; L298-M300 HydrophobicContact CD2-SD 4.26Å; L298-M300 HydrophobicContact CG-CE 3.92Å; L298-M300 HydrophobicContact CG-CG 4.1Å; L298-M300 HydrophobicContact CG-SD 4.2Å; M300-N303 PolarHBondContact O-ND2 3.29Å; M300-N303 VanDerWaalsContact O-ND2 3.14Å; M300-I305 HydrophobicContact CB-CD1 4.24Å; M300-I305 HydrophobicContact CE-CD1 4.44Å; M300-I305 HydrophobicContact SD-CD1 4.46Å; M300-F313 HydrophobicContact CE-CE1 4.01Å; M300-F313 HydrophobicContact CE-CZ 4.33Å; M300-D323 CarbonylContact C-O 3.57Å; M300-D323 WeakPolarHBondContact CA-O 3.36Å; M300-D323 PolarHBondContact N-O 3.44Å; M300-L324 HydrophobicContact CB-CD2 4.33Å; M300-L324 HydrophobicContact CE-CD2 3.49Å; M300-L324 VanDerWaalsContact CE-CD2 3.49Å; M300-N327 PolarHBondContact O-ND2 3.4Å
301	R	95	Very high	92.4	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	155.3	177.8	-155.9	-172.2	171.5	171.6	3.2	111.9	E277 G278 V299 N303 D323 G325	E277-R301 WeakPolarHBondContact CA-O 3.36Å; E277-R301 HydrophobicContact CG-CB 4.18Å; G278-R301 PolarHBondContact N-O 3.06Å; G278-R301 VanDerWaalsContact N-O 3.09Å; V299-R301 HydrophobicContact CG1-CB 4.3Å; R301-N303 PolarHBondContact O-N 3.03Å; R301-N303 VanDerWaalsContact O-N 3.16Å; R301-N303 PolarHBondContact O-ND2 2.92Å; R301-N303 VanDerWaalsContact O-ND2 3.08Å; R301-D323 WeakPolarHBondContact CB-OD1 3.03Å; R301-D323 WeakPolarHBondContact CG-OD1 3.12Å; R301-G325 CarbonylContact C-O 3.24Å; R301-G325 VanDerWaalsContact CA-O 3.23Å; R301-G325 WeakPolarHBondContact CA-O 3.48Å; R301-G325 WeakPolarHBondContact CG-O 3.43Å
302	K	95.3	Very high	92.4	Very high	107 Å²	107	39.3 Å²	39.3	47%	0.465	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.4	175.2	-57.7	175.9	-171.6	152.1	0	114	E277 G325 S326	E277-K302 HydrophobicContact CG-CB 4.45Å; E277-K302 HydrophobicContact CG-CD 4.29Å; E277-K302 WeakPolarHBondContact OE1-CD 3.37Å; E277-K302 WeakPolarHBondContact OE1-CE 3.2Å; E277-K302 IonicContact OE1-NZ 2.9Å; E277-K302 PolarHBondContact OE1-NZ 3.43Å; K302-G325 PolarHBondContact N-O 3.18Å; K302-S326 WeakPolarHBondContact CA-O 3.16Å
303	N	96.9	Very high	92.4	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.043	19%	0.19	C	C	.	.	S	Bend	trans	-99.3	-164.8	173.9	-87.7	-87	0	0	0	110.9	L276 N279 H280 I281 M300 R301 I305 N327	L276-N303 PolarHBondContact O-ND2 3.25Å; N279-N303 WeakPolarHBondContact CA-OD1 3.45Å; N279-N303 WeakPolarHBondContact CB-OD1 3.28Å; N279-N303 PolarHBondContact O-OD1 3.35Å; H280-N303 PolarHBondContact N-OD1 3.38Å; I281-N303 HydrophobicContact CB-CB 4.42Å; I281-N303 VanDerWaalsContact CB-OD1 3.31Å; I281-N303 WeakPolarHBondContact CB-OD1 3.43Å; I281-N303 WeakPolarHBondContact CG1-OD1 3.45Å; I281-N303 PolarHBondContact N-OD1 3.44Å; M300-N303 PolarHBondContact O-ND2 3.29Å; M300-N303 VanDerWaalsContact O-ND2 3.14Å; R301-N303 PolarHBondContact O-N 3.03Å; R301-N303 VanDerWaalsContact O-N 3.16Å; R301-N303 PolarHBondContact O-ND2 2.92Å; R301-N303 VanDerWaalsContact O-ND2 3.08Å; N303-I305 HydrophobicContact CB-CD1 4.37Å; N303-I305 HydrophobicContact CB-CG1 4.15Å; N303-N327 VanDerWaalsContact CA-OD1 3.28Å; N303-N327 WeakPolarHBondContact CA-OD1 3.37Å; N303-N327 WeakPolarHBondContact CB-OD1 3.2Å; N303-N327 PolarHBondContact N-OD1 3.39Å; N303-N327 PolarHBondContact O-OD1 3.42Å
304	K	96.1	Very high	92.5	Very high	70 Å²	70	36.7 Å²	36.7	30%	0.304	17%	0.174	S	C	.	.			trans	-120.2	27.5	-178.2	-63	176.8	-175.4	165.6	0	111.6	H280 I281 N306 N327	H280-K304 HydrophobicContact CB-CD 4.18Å; H280-K304 PolarHBondContact CD2-NZ 3.12Å; H280-K304 PolarHBondContact CE1-NZ 3.47Å; H280-K304 VanDerWaalsContact CG-NZ 3.28Å; H280-K304 PolarHBondContact ND1-NZ 3.17Å; H280-K304 PolarHBondContact NE2-NZ 3.26Å; I281-K304 CarbonylContact O-C 3.41Å; I281-K304 WeakPolarHBondContact O-CA 3.49Å; I281-K304 PolarHBondContact O-N 2.92Å; K304-N306 PolarHBondContact O-N 3.35Å; K304-N327 PolarHBondContact N-OD1 2.83Å
305	I	95.3	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.			trans	-68.5	120.5	-173.5	-56.5	170.7	0	0	0	109.3	I281 H282 L284 M300 N303 L308 N327 K328 I329	I281-I305 HydrophobicContact CG2-CG1 4.39Å; I281-I305 WeakPolarHBondContact O-CG1 3.32Å; I281-I305 PolarHBondContact O-N 3.01Å; I281-I305 VanDerWaalsContact O-N 3.11Å; H282-I305 VanDerWaalsContact O-CA 3.3Å; H282-I305 WeakPolarHBondContact O-CA 3.4Å; L284-I305 HydrophobicContact CD1-CD1 4.18Å; L284-I305 HydrophobicContact CD2-CD1 4.45Å; L284-I305 HydrophobicContact CG-CD1 4.31Å; M300-I305 HydrophobicContact CB-CD1 4.24Å; M300-I305 HydrophobicContact CE-CD1 4.44Å; M300-I305 HydrophobicContact SD-CD1 4.46Å; N303-I305 HydrophobicContact CB-CD1 4.37Å; N303-I305 HydrophobicContact CB-CG1 4.15Å; I305-L308 HydrophobicContact CG2-CD2 3.96Å; I305-N327 HydrophobicContact CB-CB 4.3Å; I305-N327 WeakPolarHBondContact CB-OD1 3.34Å; I305-N327 VanDerWaalsContact CG1-OD1 3.31Å; I305-N327 WeakPolarHBondContact CG1-OD1 3.46Å; I305-N327 PolarHBondContact N-OD1 3.05Å; I305-K328 CarbonylContact O-C 3.58Å; I305-K328 VanDerWaalsContact O-CA 3.25Å; I305-K328 WeakPolarHBondContact O-CA 3.15Å; I305-K328 PolarHBondContact O-N 3.04Å; I305-I329 HydrophobicContact CG2-CG1 4.3Å; I305-I329 WeakPolarHBondContact O-CG1 3.38Å; I305-I329 PolarHBondContact O-N 3.48Å; I305-I329 VanDerWaalsContact O-N 3.13Å
306	N	92.6	Very high	92.6	Very high	75 Å²	75	36.2 Å²	36.2	40%	0.401	17%	0.173	S	C	.	.			trans	-109.3	-29.1	-179.7	65.6	-10.3	0	0	0	114	H282 N283 K304 K328	H282-N306 PolarHBondContact O-N 3.25Å; H282-N306 PolarHBondContact O-OD1 2.97Å; N283-N306 PolarHBondContact OD1-OD1 3.13Å; K304-N306 PolarHBondContact O-N 3.35Å; N306-K328 WeakPolarHBondContact CA-O 3.25Å; N306-K328 HydrophobicContact CB-CB 4.36Å
307	Y	88.9	Confident	92.6	Very high	134 Å²	134	41.4 Å²	41.4	53%	0.525	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-134	135.5	-174.5	-176.6	-104.4	0	0	0	111.6	N309	Y307-N309 WeakPolarHBondContact CE1-OD1 3.42Å
308	L	90.9	Very high	92.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.			trans	-117.9	146.7	174.3	-63.7	175.9	0	0	0	109	L284 I305 F313 L324 I329 L332 P333 I336	L284-L308 HydrophobicContact CD1-CD2 3.79Å; I305-L308 HydrophobicContact CG2-CD2 3.96Å; L308-F313 HydrophobicContact CD1-CE2 4.28Å; L308-F313 HydrophobicContact CD2-CE2 4.34Å; L308-F313 HydrophobicContact CD2-CZ 4.15Å; L308-L324 HydrophobicContact CD1-CD1 4.33Å; L308-I329 HydrophobicContact CD1-CD1 4.11Å; L308-I329 HydrophobicContact CD1-CG2 4.44Å; L308-L332 HydrophobicContact CD1-CD2 4.36Å; L308-P333 HydrophobicContact CB-CG 4.08Å; L308-P333 WeakPolarHBondContact O-CG 3.43Å; L308-I336 HydrophobicContact CB-CD1 4.45Å
309	N	89.5	Confident	92.5	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.262	22%	0.219	S	C	.	.			trans	-100.9	144.3	171	-70.5	-83.4	0	0	0	109.4	N286 Y307 N311 T312 I336	N286-N309 WeakPolarHBondContact OD1-CB 3.27Å; N286-N309 PolarHBondContact OD1-ND2 2.91Å; Y307-N309 WeakPolarHBondContact CE1-OD1 3.42Å; N309-N311 PolarHBondContact O-N 3.24Å; N309-T312 PolarHBondContact N-OG1 3.47Å; N309-T312 WeakPolarHBondContact O-CB 3.49Å; N309-T312 PolarHBondContact O-N 2.75Å; N309-T312 PolarHBondContact O-OG1 2.84Å; N309-I336 WeakPolarHBondContact O-CD1 3.22Å
310	E	87.6	Confident	92.3	Very high	91 Å²	91	47.4 Å²	47.4	43%	0.425	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-32.8	-176.5	-63.6	178.4	-179.9	0	0	115	P333 P334	E310-P333 HydrophobicContact CB-CB 4.45Å; E310-P333 HydrophobicContact CG-CB 3.6Å; E310-P334 WeakPolarHBondContact OE1-CG 3.5Å
311	N	88	Confident	92.2	Very high	73 Å²	73	48.5 Å²	48.5	39%	0.39	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.2	-178.1	-58.8	-55.6	0	0	0	113.7	N309 F313 A314 K338	N309-N311 PolarHBondContact O-N 3.24Å; N311-F313 VanDerWaalsContact C-N 3.31Å; N311-F313 PolarHBondContact O-N 2.79Å; N311-A314 HydrophobicContact CB-CB 4.35Å; N311-K338 PolarHBondContact OD1-NZ 3.01Å
312	T	89.9	Confident	92.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-59	-39.2	-179.1	-64.6	0	0	0	0	112.7	L284 F289 N309	L284-T312 HydrophobicContact CB-CG2 3.76Å; L284-T312 HydrophobicContact CD1-CG2 3.92Å; F289-T312 HydrophobicContact CD2-CG2 4.41Å; F289-T312 HydrophobicContact CE2-CG2 4.47Å; N309-T312 PolarHBondContact N-OG1 3.47Å; N309-T312 WeakPolarHBondContact O-CB 3.49Å; N309-T312 PolarHBondContact O-N 2.75Å; N309-T312 PolarHBondContact O-OG1 2.84Å
313	F	92.9	Very high	92.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-105.1	-1.2	-176.4	-52.5	-59.7	0	0	0	114.3	L284 L298 M300 L308 N311 P315 L316 L322 L324 I336 L340	L284-F313 HydrophobicContact CD1-CE1 4.16Å; L284-F313 HydrophobicContact CD1-CZ 4.09Å; L298-F313 HydrophobicContact CD2-CD1 4.47Å; L298-F313 HydrophobicContact CD2-CE1 4.2Å; M300-F313 HydrophobicContact CE-CE1 4.01Å; M300-F313 HydrophobicContact CE-CZ 4.33Å; L308-F313 HydrophobicContact CD1-CE2 4.28Å; L308-F313 HydrophobicContact CD2-CE2 4.34Å; L308-F313 HydrophobicContact CD2-CZ 4.15Å; N311-F313 VanDerWaalsContact C-N 3.31Å; N311-F313 PolarHBondContact O-N 2.79Å; F313-P315 VanDerWaalsContact C-N 3.29Å; F313-P315 VanDerWaalsContact O-N 3.14Å; F313-L316 HydrophobicContact CB-CD1 4.41Å; F313-L316 HydrophobicContact CD1-CD1 3.93Å; F313-L316 WeakPolarHBondContact O-CB 3.48Å; F313-L316 PolarHBondContact O-N 3.31Å; F313-L322 HydrophobicContact CD2-CD2 4.36Å; F313-L322 HydrophobicContact CE1-CD1 4.36Å; F313-L322 HydrophobicContact CE2-CD2 4.3Å; F313-L322 HydrophobicContact CZ-CD2 4.46Å; F313-L324 HydrophobicContact CE2-CD1 4.14Å; F313-L324 HydrophobicContact CZ-CD1 4.04Å; F313-L324 HydrophobicContact CZ-CD2 4.19Å; F313-I336 HydrophobicContact CD2-CD1 3.77Å; F313-I336 HydrophobicContact CD2-CG1 3.89Å; F313-I336 HydrophobicContact CE2-CD1 4.09Å; F313-I336 HydrophobicContact CE2-CG1 4.09Å; F313-L340 HydrophobicContact CB-CD1 4.11Å; F313-L340 HydrophobicContact CB-CD2 4.11Å; F313-L340 HydrophobicContact CB-CG 4.42Å
314	A	91.5	Very high	92.2	Very high	24 Å²	24	40.2 Å²	40.2	20%	0.198	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.6	-179.6	0	0	0	0	0	115.7	N311 L316 D339	N311-A314 HydrophobicContact CB-CB 4.35Å; A314-L316 VanDerWaalsContact C-N 3.31Å; A314-L316 PolarHBondContact O-N 2.02Å; A314-D339 VanDerWaalsContact CB-OD2 3.24Å; A314-D339 WeakPolarHBondContact CB-OD2 3.3Å
315	P	92.2	Very high	92.2	Very high	28 Å²	28	36.9 Å²	36.9	18%	0.182	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.9	174.6	-20.6	34.4	0	0	0	115.1	F289 F313 Q317	F289-P315 WeakPolarHBondContact O-CB 3.49Å; F313-P315 VanDerWaalsContact C-N 3.29Å; F313-P315 VanDerWaalsContact O-N 3.14Å; P315-Q317 VanDerWaalsContact C-N 3.27Å; P315-Q317 PolarHBondContact O-N 2.57Å
316	L	93.1	Very high	92.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.			trans	-88.4	52.7	-168.3	-55.4	-178.9	0	0	0	112.1	F289 C292 L295 L298 F313 A314 K318 L319 L340	F289-L316 HydrophobicContact CB-CD2 4.04Å; F289-L316 HydrophobicContact CB-CG 4.39Å; F289-L316 HydrophobicContact CG-CD1 4.48Å; C292-L316 HydrophobicContact CB-CD2 3.78Å; C292-L316 WeakPolarHBondContact O-CD2 3.34Å; L295-L316 HydrophobicContact CB-CD2 4.19Å; L295-L316 HydrophobicContact CD2-CD2 4.09Å; L298-L316 HydrophobicContact CD2-CD1 3.83Å; F313-L316 HydrophobicContact CB-CD1 4.41Å; F313-L316 HydrophobicContact CD1-CD1 3.93Å; F313-L316 WeakPolarHBondContact O-CB 3.48Å; F313-L316 PolarHBondContact O-N 3.31Å; A314-L316 VanDerWaalsContact C-N 3.31Å; A314-L316 PolarHBondContact O-N 2.02Å; L316-K318 PolarHBondContact O-N 3.5Å; L316-K318 VanDerWaalsContact O-N 3.14Å; L316-L319 HydrophobicContact CB-CB 4.09Å; L316-L319 HydrophobicContact CB-CD2 4.31Å; L316-L319 HydrophobicContact CD1-CD1 4.43Å; L316-L319 HydrophobicContact CD1-CD2 4.08Å; L316-L319 VanDerWaalsContact O-CB 3.26Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 3.02Å; L316-L319 VanDerWaalsContact O-N 3.1Å; L316-L340 HydrophobicContact CB-CD2 4.09Å; L316-L340 VanDerWaalsContact O-CD2 3.3Å; L316-L340 WeakPolarHBondContact O-CD2 3.3Å
317	Q	91.2	Very high	92.4	Very high	125 Å²	125	35.3 Å²	35.3	58%	0.584	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.8	-170.6	-63.6	179.7	4.1	0	0	114.7	P315	P315-Q317 VanDerWaalsContact C-N 3.27Å; P315-Q317 PolarHBondContact O-N 2.57Å
318	K	92	Very high	92.7	Very high	109 Å²	109	34.9 Å²	34.9	47%	0.474	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.3	177	-63.2	-169.6	-174.9	178.6	0	113.9	N294 L295 L316 D320	N294-K318 PolarHBondContact OD1-NZ 3.27Å; L295-K318 CarbonylContact O-C 3.43Å; L316-K318 PolarHBondContact O-N 3.5Å; L316-K318 VanDerWaalsContact O-N 3.14Å; K318-D320 PolarHBondContact O-N 2.98Å
319	L	93.1	Very high	92.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.			trans	-66.6	120.6	-177.6	-158.1	72.2	0	0	0	110.2	L295 L298 L316 L322 L340 E342 L343	L295-L319 HydrophobicContact CD2-CD1 4.22Å; L295-L319 HydrophobicContact CG-CD1 4.35Å; L295-L319 PolarHBondContact O-N 2.91Å; L298-L319 HydrophobicContact CB-CD1 3.92Å; L316-L319 HydrophobicContact CB-CB 4.09Å; L316-L319 HydrophobicContact CB-CD2 4.31Å; L316-L319 HydrophobicContact CD1-CD1 4.43Å; L316-L319 HydrophobicContact CD1-CD2 4.08Å; L316-L319 VanDerWaalsContact O-CB 3.26Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 3.02Å; L316-L319 VanDerWaalsContact O-N 3.1Å; L319-L322 HydrophobicContact CD2-CB 3.84Å; L319-L322 HydrophobicContact CD2-CD1 4.21Å; L319-L322 HydrophobicContact CD2-CD2 4.25Å; L319-L322 HydrophobicContact CD2-CG 4.32Å; L319-L340 HydrophobicContact CB-CD2 4.26Å; L319-L340 HydrophobicContact CD2-CD1 4.35Å; L319-L340 HydrophobicContact CD2-CD2 4.29Å; L319-E342 CarbonylContact O-C 3.55Å; L319-E342 VanDerWaalsContact O-C 3.31Å; L319-L343 HydrophobicContact CB-CD1 4.33Å; L319-L343 HydrophobicContact CD2-CD1 4.12Å; L319-L343 HydrophobicContact CG-CD1 4.09Å; L319-L343 WeakPolarHBondContact O-CA 3.35Å; L319-L343 PolarHBondContact O-N 3.45Å; L319-L343 VanDerWaalsContact O-N 3.14Å
320	D	91.6	Very high	93	Very high	26 Å²	26	37.4 Å²	37.4	14%	0.139	19%	0.185	C	C	.	.			trans	-96.1	-36.4	176	-170.6	105.4	0	0	0	110.1	G89 Q93 T296 K318 S344 Q345	G89-D320 WeakPolarHBondContact CA-OD2 3.27Å; Q93-D320 VanDerWaalsContact NE2-CG 3.28Å; Q93-D320 PolarHBondContact NE2-OD1 3.16Å; Q93-D320 PolarHBondContact NE2-OD2 3.46Å; T296-D320 PolarHBondContact O-N 2.74Å; K318-D320 PolarHBondContact O-N 2.98Å; D320-S344 WeakPolarHBondContact O-CA 3.35Å; D320-S344 PolarHBondContact O-N 2.99Å; D320-S344 PolarHBondContact O-OG 2.96Å; D320-S344 WeakPolarHBondContact OD2-CB 3.03Å; D320-S344 PolarHBondContact OD2-OG 3.13Å; D320-Q345 PolarHBondContact O-N 3.41Å
321	E	92.8	Very high	93.1	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.107	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.5	-176.4	-172.8	177.2	159.5	0	0	112.3	G89 W90 T296 V297 L298 Q345	G89-E321 WeakPolarHBondContact CA-OE2 3.36Å; W90-E321 PolarHBondContact N-OE2 2.76Å; T296-E321 PolarHBondContact O-N 2.96Å; V297-E321 HydrophobicContact CG1-CB 4.39Å; V297-E321 HydrophobicContact CG2-CB 4.19Å; L298-E321 PolarHBondContact N-O 3.42Å; E321-Q345 HydrophobicContact CG-CB 4.16Å; E321-Q345 HydrophobicContact CG-CG 4.23Å
322	L	95.6	Very high	93.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.9	176.3	178.7	56.5	0	0	0	110.8	L298 F313 L319 L324 F337 L340 L343 Q345 L346 N347	L298-L322 HydrophobicContact CB-CD1 4.17Å; L298-L322 HydrophobicContact CD2-CD1 4.1Å; L298-L322 HydrophobicContact CG-CD1 4.19Å; F313-L322 HydrophobicContact CD2-CD2 4.36Å; F313-L322 HydrophobicContact CE1-CD1 4.36Å; F313-L322 HydrophobicContact CE2-CD2 4.3Å; F313-L322 HydrophobicContact CZ-CD2 4.46Å; L319-L322 HydrophobicContact CD2-CB 3.84Å; L319-L322 HydrophobicContact CD2-CD1 4.21Å; L319-L322 HydrophobicContact CD2-CD2 4.25Å; L319-L322 HydrophobicContact CD2-CG 4.32Å; L322-L324 HydrophobicContact CD1-CD1 4.45Å; L322-L324 HydrophobicContact CD1-CD2 4.14Å; L322-L324 HydrophobicContact CD1-CG 4.03Å; L322-L324 HydrophobicContact CD2-CD1 4.2Å; L322-L324 HydrophobicContact CG-CD1 4.28Å; L322-L324 HydrophobicContact CG-CG 4.11Å; L322-F337 HydrophobicContact CD2-CE1 4.17Å; L322-L340 HydrophobicContact CD2-CD1 4.02Å; L322-L343 HydrophobicContact CB-CD1 3.87Å; L322-Q345 PolarHBondContact N-O 2.93Å; L322-L346 HydrophobicContact CB-CD1 4.19Å; L322-L346 HydrophobicContact CD2-CD1 4.04Å; L322-L346 HydrophobicContact CG-CD1 4.12Å; L322-N347 PolarHBondContact O-N 3.42Å
323	D	95.6	Very high	93.4	Very high	16 Å²	16	35.1 Å²	35.1	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114.8	173.3	-163.3	-36.3	0	0	0	111.7	L298 V299 M300 R301 G325 N347	L298-D323 PolarHBondContact O-N 3.08Å; V299-D323 HydrophobicContact CG1-CB 4.25Å; M300-D323 CarbonylContact C-O 3.57Å; M300-D323 WeakPolarHBondContact CA-O 3.36Å; M300-D323 PolarHBondContact N-O 3.44Å; R301-D323 WeakPolarHBondContact CB-OD1 3.03Å; R301-D323 WeakPolarHBondContact CG-OD1 3.12Å; D323-G325 WeakPolarHBondContact OD1-CA 3.43Å; D323-G325 PolarHBondContact OD1-N 2.9Å; D323-N347 HydrophobicContact CB-CB 4.22Å; D323-N347 VanDerWaalsContact CG-ND2 3.29Å; D323-N347 PolarHBondContact OD1-ND2 3.32Å; D323-N347 PolarHBondContact OD2-ND2 3.41Å
324	L	96.3	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.			trans	-117.5	13.7	174.1	-62.3	175.1	0	0	0	111.7	M300 L308 F313 L322 N327 I329 N347 L348 N351	M300-L324 HydrophobicContact CB-CD2 4.33Å; M300-L324 HydrophobicContact CE-CD2 3.49Å; M300-L324 VanDerWaalsContact CE-CD2 3.49Å; L308-L324 HydrophobicContact CD1-CD1 4.33Å; F313-L324 HydrophobicContact CE2-CD1 4.14Å; F313-L324 HydrophobicContact CZ-CD1 4.04Å; F313-L324 HydrophobicContact CZ-CD2 4.19Å; L322-L324 HydrophobicContact CD1-CD1 4.45Å; L322-L324 HydrophobicContact CD1-CD2 4.14Å; L322-L324 HydrophobicContact CD1-CG 4.03Å; L322-L324 HydrophobicContact CD2-CD1 4.2Å; L322-L324 HydrophobicContact CG-CD1 4.28Å; L322-L324 HydrophobicContact CG-CG 4.11Å; L324-N327 WeakPolarHBondContact O-CB 3.3Å; L324-N327 PolarHBondContact O-ND2 3.14Å; L324-I329 HydrophobicContact CB-CD1 4.16Å; L324-I329 HydrophobicContact CD1-CD1 4.42Å; L324-N347 PolarHBondContact N-O 3.3Å; L324-L348 HydrophobicContact CB-CD2 4.17Å; L324-L348 HydrophobicContact CD1-CD2 3.99Å; L324-N351 PolarHBondContact O-ND2 2.72Å
325	G	95.8	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-63	154.5	-175	0	0	0	0	0	113.6	R301 K302 D323 N327 N347 S349	R301-G325 CarbonylContact C-O 3.24Å; R301-G325 VanDerWaalsContact CA-O 3.23Å; R301-G325 WeakPolarHBondContact CA-O 3.48Å; R301-G325 WeakPolarHBondContact CG-O 3.43Å; K302-G325 PolarHBondContact N-O 3.18Å; D323-G325 WeakPolarHBondContact OD1-CA 3.43Å; D323-G325 PolarHBondContact OD1-N 2.9Å; G325-N327 VanDerWaalsContact C-N 3.29Å; G325-N327 PolarHBondContact O-N 3.27Å; G325-N327 PolarHBondContact O-ND2 3.29Å; G325-N347 PolarHBondContact N-O 3.34Å; G325-S349 CarbonylContact C-O 3.05Å; G325-S349 WeakPolarHBondContact CA-O 3.21Å
326	S	95.6	Very high	93	Very high	35 Å²	35	38.1 Å²	38.1	25%	0.245	19%	0.191	C	C	.	.	S	Bend	trans	54.3	41.8	178.3	-46.7	0	0	0	0	113.4	K302 S349	K302-S326 WeakPolarHBondContact CA-O 3.16Å; S326-S349 PolarHBondContact N-O 3.38Å
327	N	96.5	Very high	93	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.043	19%	0.191	C	C	.	.	S	Bend	trans	-106.2	-161.9	174.1	-88.2	-80.1	0	0	0	110.6	M300 N303 K304 I305 L324 G325 I329 N351	M300-N327 PolarHBondContact O-ND2 3.4Å; N303-N327 VanDerWaalsContact CA-OD1 3.28Å; N303-N327 WeakPolarHBondContact CA-OD1 3.37Å; N303-N327 WeakPolarHBondContact CB-OD1 3.2Å; N303-N327 PolarHBondContact N-OD1 3.39Å; N303-N327 PolarHBondContact O-OD1 3.42Å; K304-N327 PolarHBondContact N-OD1 2.83Å; I305-N327 HydrophobicContact CB-CB 4.3Å; I305-N327 WeakPolarHBondContact CB-OD1 3.34Å; I305-N327 VanDerWaalsContact CG1-OD1 3.31Å; I305-N327 WeakPolarHBondContact CG1-OD1 3.46Å; I305-N327 PolarHBondContact N-OD1 3.05Å; L324-N327 WeakPolarHBondContact O-CB 3.3Å; L324-N327 PolarHBondContact O-ND2 3.14Å; G325-N327 VanDerWaalsContact C-N 3.29Å; G325-N327 PolarHBondContact O-N 3.27Å; G325-N327 PolarHBondContact O-ND2 3.29Å; N327-I329 HydrophobicContact CB-CD1 4.26Å; N327-I329 HydrophobicContact CB-CG1 4.17Å; N327-N351 VanDerWaalsContact CA-OD1 3.28Å; N327-N351 WeakPolarHBondContact CA-OD1 3.49Å; N327-N351 WeakPolarHBondContact CB-OD1 3.39Å; N327-N351 PolarHBondContact N-OD1 3.27Å; N327-N351 PolarHBondContact O-OD1 3.39Å
328	K	95.3	Very high	93.1	Very high	125 Å²	125	34.9 Å²	34.9	54%	0.543	17%	0.174	S	C	.	.			trans	-120.1	28.1	-179.6	-62.4	-163.9	172.2	-159.4	0	112.7	I305 N306 E330 N351	I305-K328 CarbonylContact O-C 3.58Å; I305-K328 VanDerWaalsContact O-CA 3.25Å; I305-K328 WeakPolarHBondContact O-CA 3.15Å; I305-K328 PolarHBondContact O-N 3.04Å; N306-K328 WeakPolarHBondContact CA-O 3.25Å; N306-K328 HydrophobicContact CB-CB 4.36Å; K328-E330 PolarHBondContact O-N 3.1Å; K328-N351 PolarHBondContact N-OD1 2.66Å
329	I	94.6	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.			trans	-71.8	113.8	-174.1	-56.2	166.2	0	0	0	109.2	I305 L308 L324 N327 L332 N351 P352 I353	I305-I329 HydrophobicContact CG2-CG1 4.3Å; I305-I329 WeakPolarHBondContact O-CG1 3.38Å; I305-I329 PolarHBondContact O-N 3.48Å; I305-I329 VanDerWaalsContact O-N 3.13Å; L308-I329 HydrophobicContact CD1-CD1 4.11Å; L308-I329 HydrophobicContact CD1-CG2 4.44Å; L324-I329 HydrophobicContact CB-CD1 4.16Å; L324-I329 HydrophobicContact CD1-CD1 4.42Å; N327-I329 HydrophobicContact CB-CD1 4.26Å; N327-I329 HydrophobicContact CB-CG1 4.17Å; I329-L332 HydrophobicContact CG2-CD2 3.98Å; I329-N351 HydrophobicContact CB-CB 4.27Å; I329-N351 WeakPolarHBondContact CB-OD1 3.47Å; I329-N351 WeakPolarHBondContact CG1-OD1 3.34Å; I329-N351 PolarHBondContact N-OD1 2.94Å; I329-P352 CarbonylContact O-C 3.56Å; I329-P352 WeakPolarHBondContact O-CD 3.45Å; I329-I353 HydrophobicContact CB-CG1 4.5Å; I329-I353 HydrophobicContact CG2-CG1 4.35Å; I329-I353 WeakPolarHBondContact O-CG1 3.31Å; I329-I353 PolarHBondContact O-N 3.24Å
330	E	91.6	Very high	93.1	Very high	101 Å²	101	32.1 Å²	32.1	47%	0.472	17%	0.165	S	C	.	.			trans	-88.5	-33.3	-179.4	-66.5	179	-161.9	0	0	113.2	K328 P352 I353 Q354	K328-E330 PolarHBondContact O-N 3.1Å; E330-P352 WeakPolarHBondContact CA-O 3.43Å; E330-P352 HydrophobicContact CG-CG 4.17Å; E330-I353 WeakPolarHBondContact O-CA 3.43Å; E330-Q354 PolarHBondContact O-N 2.81Å
331	N	90.9	Very high	93	Very high	86 Å²	86	36.9 Å²	36.9	46%	0.46	18%	0.184	S	C	.	.			trans	-140.8	133.1	-175.3	-68.3	-77.6	0	0	0	109.9
332	L	92.4	Very high	93	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.068	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-89.6	125.8	170.8	-64.4	175	0	0	0	109.1	L308 I329 F337 L348 I353 Q360	L308-L332 HydrophobicContact CD1-CD2 4.36Å; I329-L332 HydrophobicContact CG2-CD2 3.98Å; L332-F337 HydrophobicContact CD1-CE2 4.5Å; L332-L348 HydrophobicContact CD1-CD1 4.11Å; L332-L348 HydrophobicContact CD2-CD2 4.31Å; L332-I353 HydrophobicContact CD1-CD1 4.12Å; L332-I353 HydrophobicContact CD2-CD1 4.2Å; L332-I353 HydrophobicContact CG-CD1 4.08Å; L332-I353 HydrophobicContact CG-CG2 4.5Å; L332-Q360 HydrophobicContact CD1-CG 4.31Å
333	P	91.8	Very high	92.9	Very high	17 Å²	17	39.6 Å²	39.6	11%	0.11	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-60.9	150.5	172.1	-20.3	31.2	0	0	0	111.4	L308 E310 I336 Q360	L308-P333 HydrophobicContact CB-CG 4.08Å; L308-P333 WeakPolarHBondContact O-CG 3.43Å; E310-P333 HydrophobicContact CB-CB 4.45Å; E310-P333 HydrophobicContact CG-CB 3.6Å; P333-I336 HydrophobicContact CB-CB 4.43Å; P333-I336 WeakPolarHBondContact O-CG2 3.44Å; P333-Q360 PolarHBondContact O-NE2 2.99Å
334	P	87.3	Confident	92.7	Very high	46 Å²	46	39.1 Å²	39.1	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	145	171.7	29.3	-34.8	0	0	0	109.5	E310 I336	E310-P334 WeakPolarHBondContact OE1-CG 3.5Å; P334-I336 PolarHBondContact O-N 3.06Å
335	L	87.9	Confident	92.6	Very high	66 Å²	66	40.5 Å²	40.5	35%	0.346	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	11.6	173	-49.9	175.7	0	0	0	116.5	F337 K338 Y363	L335-F337 PolarHBondContact O-N 3.37Å; L335-K338 HydrophobicContact CB-CB 4.16Å; L335-K338 HydrophobicContact CB-CD 3.93Å; L335-K338 HydrophobicContact CB-CG 4.5Å; L335-K338 VanDerWaalsContact O-CB 3.27Å; L335-K338 WeakPolarHBondContact O-CB 3.49Å; L335-K338 WeakPolarHBondContact O-CD 3.36Å; L335-K338 VanDerWaalsContact O-CG 3.3Å; L335-K338 WeakPolarHBondContact O-CG 3.39Å; L335-K338 PolarHBondContact O-N 3.29Å; L335-Y363 HydrophobicContact CD2-CE2 3.61Å
336	I	92.8	Very high	92.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.7	177.5	-175.2	59.1	0	0	0	114.3	L308 N309 F313 P333 P334 Q360	L308-I336 HydrophobicContact CB-CD1 4.45Å; N309-I336 WeakPolarHBondContact O-CD1 3.22Å; F313-I336 HydrophobicContact CD2-CD1 3.77Å; F313-I336 HydrophobicContact CD2-CG1 3.89Å; F313-I336 HydrophobicContact CE2-CD1 4.09Å; F313-I336 HydrophobicContact CE2-CG1 4.09Å; P333-I336 HydrophobicContact CB-CB 4.43Å; P333-I336 WeakPolarHBondContact O-CG2 3.44Å; P334-I336 PolarHBondContact O-N 3.06Å; I336-Q360 VanDerWaalsContact CG2-NE2 3.27Å
337	F	93.4	Very high	92.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.6	-179.5	-53	-51.4	0	0	0	114.2	L322 L332 L335 D339 L340 L346 L348 Q360 F361 L364	L322-F337 HydrophobicContact CD2-CE1 4.17Å; L332-F337 HydrophobicContact CD1-CE2 4.5Å; L335-F337 PolarHBondContact O-N 3.37Å; F337-D339 VanDerWaalsContact C-N 3.25Å; F337-D339 PolarHBondContact O-N 2.95Å; F337-D339 VanDerWaalsContact O-N 3.14Å; F337-L340 HydrophobicContact CD1-CD1 3.96Å; F337-L340 PolarHBondContact O-N 3.44Å; F337-L340 VanDerWaalsContact O-N 3.16Å; F337-L346 HydrophobicContact CD2-CD2 4.32Å; F337-L346 HydrophobicContact CE1-CD1 4.19Å; F337-L346 HydrophobicContact CE1-CD2 4.39Å; F337-L346 HydrophobicContact CE2-CD2 4Å; F337-L346 HydrophobicContact CZ-CD1 4.27Å; F337-L346 HydrophobicContact CZ-CD2 4.05Å; F337-L348 HydrophobicContact CE2-CD1 4.31Å; F337-L348 HydrophobicContact CZ-CD1 4.18Å; F337-L348 HydrophobicContact CZ-CD2 4.22Å; F337-Q360 HydrophobicContact CD2-CG 4.42Å; F337-Q360 HydrophobicContact CE2-CG 4.36Å; F337-F361 HydrophobicContact CD2-CD1 4.38Å; F337-F361 HydrophobicContact CE2-CE1 4.22Å; F337-L364 HydrophobicContact CB-CD1 4.2Å; F337-L364 HydrophobicContact CB-CD2 4.01Å; F337-L364 HydrophobicContact CB-CG 4.25Å; F337-L364 HydrophobicContact CD2-CD1 4.43Å; F337-L364 HydrophobicContact CG-CD1 4.43Å
338	K	91.6	Very high	92.5	Very high	54 Å²	54	39.2 Å²	39.2	24%	0.235	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.2	-170.5	74.9	-164.6	177.4	-160.9	0	114.8	N311 L335 Y363	N311-K338 PolarHBondContact OD1-NZ 3.01Å; L335-K338 HydrophobicContact CB-CB 4.16Å; L335-K338 HydrophobicContact CB-CD 3.93Å; L335-K338 HydrophobicContact CB-CG 4.5Å; L335-K338 VanDerWaalsContact O-CB 3.27Å; L335-K338 WeakPolarHBondContact O-CB 3.49Å; L335-K338 WeakPolarHBondContact O-CD 3.36Å; L335-K338 VanDerWaalsContact O-CG 3.3Å; L335-K338 WeakPolarHBondContact O-CG 3.39Å; L335-K338 PolarHBondContact O-N 3.29Å; K338-Y363 HydrophobicContact CB-CD2 4.11Å; K338-Y363 HydrophobicContact CB-CE2 4.4Å; K338-Y363 HydrophobicContact CB-CG 4.28Å
339	D	91.5	Very high	92.5	Very high	50 Å²	50	33.4 Å²	33.4	27%	0.267	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.2	-174.2	-60.3	-53.6	0	0	0	112.6	A314 F337 K341	A314-D339 VanDerWaalsContact CB-OD2 3.24Å; A314-D339 WeakPolarHBondContact CB-OD2 3.3Å; F337-D339 VanDerWaalsContact C-N 3.25Å; F337-D339 PolarHBondContact O-N 2.95Å; F337-D339 VanDerWaalsContact O-N 3.14Å; D339-K341 PolarHBondContact O-N 3.25Å
340	L	93.4	Very high	92.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.186	C	C	.	.			trans	-84.3	56.9	-175.1	-56.1	-175.4	0	0	0	112	F313 L316 L319 L322 F337 E342 L343 L364	F313-L340 HydrophobicContact CB-CD1 4.11Å; F313-L340 HydrophobicContact CB-CD2 4.11Å; F313-L340 HydrophobicContact CB-CG 4.42Å; L316-L340 HydrophobicContact CB-CD2 4.09Å; L316-L340 VanDerWaalsContact O-CD2 3.3Å; L316-L340 WeakPolarHBondContact O-CD2 3.3Å; L319-L340 HydrophobicContact CB-CD2 4.26Å; L319-L340 HydrophobicContact CD2-CD1 4.35Å; L319-L340 HydrophobicContact CD2-CD2 4.29Å; L322-L340 HydrophobicContact CD2-CD1 4.02Å; F337-L340 HydrophobicContact CD1-CD1 3.96Å; F337-L340 PolarHBondContact O-N 3.44Å; F337-L340 VanDerWaalsContact O-N 3.16Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 3.38Å; L340-L343 HydrophobicContact CB-CB 4.17Å; L340-L343 HydrophobicContact CB-CD2 4.46Å; L340-L343 HydrophobicContact CD1-CD2 4.29Å; L340-L343 WeakPolarHBondContact O-CB 3.31Å; L340-L343 PolarHBondContact O-N 2.96Å; L340-L364 HydrophobicContact CB-CD2 4.13Å; L340-L364 WeakPolarHBondContact O-CD2 3.33Å
341	K	91.1	Very high	92.5	Very high	126 Å²	126	33.9 Å²	33.9	55%	0.548	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.9	-172.3	-63.6	177.7	-176	173.9	0	114.2	D339 K366	D339-K341 PolarHBondContact O-N 3.25Å; K341-K366 WeakPolarHBondContact O-CD 3.11Å
342	E	91.4	Very high	92.6	Very high	81 Å²	81	33 Å²	33	38%	0.379	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.5	178.1	-63.1	-57.4	124.9	0	0	113.6	L319 L340 S344 K366	L319-E342 CarbonylContact O-C 3.55Å; L319-E342 VanDerWaalsContact O-C 3.31Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 3.38Å; E342-S344 PolarHBondContact O-N 3.07Å; E342-K366 IonicContact OE1-NZ 3.45Å; E342-K366 PolarHBondContact OE1-NZ 3.13Å; E342-K366 IonicContact OE2-NZ 2.73Å; E342-K366 PolarHBondContact OE2-NZ 3.01Å
343	L	93.5	Very high	92.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.			trans	-63.5	119.7	-172.9	-160.7	74.3	0	0	0	111.6	L319 L322 L340 L346 L364 K366 L367	L319-L343 HydrophobicContact CB-CD1 4.33Å; L319-L343 HydrophobicContact CD2-CD1 4.12Å; L319-L343 HydrophobicContact CG-CD1 4.09Å; L319-L343 WeakPolarHBondContact O-CA 3.35Å; L319-L343 PolarHBondContact O-N 3.45Å; L319-L343 VanDerWaalsContact O-N 3.14Å; L322-L343 HydrophobicContact CB-CD1 3.87Å; L340-L343 HydrophobicContact CB-CB 4.17Å; L340-L343 HydrophobicContact CB-CD2 4.46Å; L340-L343 HydrophobicContact CD1-CD2 4.29Å; L340-L343 WeakPolarHBondContact O-CB 3.31Å; L340-L343 PolarHBondContact O-N 2.96Å; L343-L346 HydrophobicContact CD2-CB 3.95Å; L343-L346 HydrophobicContact CD2-CD1 4.32Å; L343-L346 HydrophobicContact CD2-CD2 4.42Å; L343-L346 HydrophobicContact CD2-CG 4.46Å; L343-L364 HydrophobicContact CB-CD2 4.08Å; L343-L364 HydrophobicContact CD2-CD1 4.34Å; L343-L364 HydrophobicContact CD2-CD2 3.91Å; L343-K366 CarbonylContact O-C 3.52Å; L343-K366 VanDerWaalsContact O-C 3.31Å; L343-L367 HydrophobicContact CD2-CD1 4.15Å; L343-L367 HydrophobicContact CG-CD1 4.16Å; L343-L367 VanDerWaalsContact O-CA 3.28Å; L343-L367 WeakPolarHBondContact O-CA 3.31Å; L343-L367 PolarHBondContact O-N 3.14Å
344	S	92.4	Very high	92.2	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.042	18%	0.183	C	C	.	.			trans	-97.9	-29.7	177	97.1	0	0	0	0	112.1	G89 D320 E342 K368 S369	G89-S344 PolarHBondContact N-OG 3.44Å; D320-S344 WeakPolarHBondContact O-CA 3.35Å; D320-S344 PolarHBondContact O-N 2.99Å; D320-S344 PolarHBondContact O-OG 2.96Å; D320-S344 WeakPolarHBondContact OD2-CB 3.03Å; D320-S344 PolarHBondContact OD2-OG 3.13Å; E342-S344 PolarHBondContact O-N 3.07Å; S344-K368 WeakPolarHBondContact O-CA 3.24Å; S344-K368 PolarHBondContact O-N 3.16Å; S344-S369 PolarHBondContact O-N 2.85Å
345	Q	93.1	Very high	92.2	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.8	-177.7	-179.7	167.9	-5.8	0	0	112.3	N88 G89 D320 E321 L322 S369	N88-Q345 PolarHBondContact O-OE1 3.12Å; G89-Q345 VanDerWaalsContact CA-OE1 3.32Å; D320-Q345 PolarHBondContact O-N 3.41Å; E321-Q345 HydrophobicContact CG-CB 4.16Å; E321-Q345 HydrophobicContact CG-CG 4.23Å; L322-Q345 PolarHBondContact N-O 2.93Å; Q345-S369 WeakPolarHBondContact CA-O 3.24Å
346	L	95.6	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.3	177.4	178.3	57.3	0	0	0	110.6	L322 F337 L343 L348 F361 L364 L367 S369 L370 S371	L322-L346 HydrophobicContact CB-CD1 4.19Å; L322-L346 HydrophobicContact CD2-CD1 4.04Å; L322-L346 HydrophobicContact CG-CD1 4.12Å; F337-L346 HydrophobicContact CD2-CD2 4.32Å; F337-L346 HydrophobicContact CE1-CD1 4.19Å; F337-L346 HydrophobicContact CE1-CD2 4.39Å; F337-L346 HydrophobicContact CE2-CD2 4Å; F337-L346 HydrophobicContact CZ-CD1 4.27Å; F337-L346 HydrophobicContact CZ-CD2 4.05Å; L343-L346 HydrophobicContact CD2-CB 3.95Å; L343-L346 HydrophobicContact CD2-CD1 4.32Å; L343-L346 HydrophobicContact CD2-CD2 4.42Å; L343-L346 HydrophobicContact CD2-CG 4.46Å; L346-L348 HydrophobicContact CD1-CD2 4.42Å; L346-L348 HydrophobicContact CD1-CG 4.13Å; L346-L348 HydrophobicContact CD2-CD1 4.08Å; L346-L348 HydrophobicContact CG-CD1 4.22Å; L346-L348 HydrophobicContact CG-CG 4.14Å; L346-F361 HydrophobicContact CD2-CD1 4.34Å; L346-F361 HydrophobicContact CD2-CE1 4.14Å; L346-L364 HydrophobicContact CD2-CD1 3.83Å; L346-L367 HydrophobicContact CB-CD1 3.86Å; L346-S369 PolarHBondContact N-O 3.06Å; L346-L370 HydrophobicContact CB-CD1 4.14Å; L346-L370 HydrophobicContact CD2-CD1 4.02Å; L346-L370 HydrophobicContact CG-CD1 4.09Å; L346-L370 WeakPolarHBondContact O-CA 3.47Å; L346-S371 PolarHBondContact O-N 3.27Å
347	N	95.6	Very high	92.2	Very high	16 Å²	16	43.9 Å²	43.9	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	173.7	-174.6	5.5	0	0	0	110.8	L322 D323 L324 G325 S349 S371	L322-N347 PolarHBondContact O-N 3.42Å; D323-N347 HydrophobicContact CB-CB 4.22Å; D323-N347 VanDerWaalsContact CG-ND2 3.29Å; D323-N347 PolarHBondContact OD1-ND2 3.32Å; D323-N347 PolarHBondContact OD2-ND2 3.41Å; L324-N347 PolarHBondContact N-O 3.3Å; G325-N347 PolarHBondContact N-O 3.34Å; N347-S349 VanDerWaalsContact OD1-CB 3.24Å; N347-S349 WeakPolarHBondContact OD1-CB 3.36Å; N347-S349 PolarHBondContact OD1-N 3.11Å; N347-S349 PolarHBondContact OD1-OG 2.89Å; N347-S371 WeakPolarHBondContact OD1-CB 3.39Å
348	L	96	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.			trans	-117.3	4.8	174.8	-68.7	168.2	0	0	0	112.2	L324 L332 F337 L346 N351 I353 F361 S371 L372 I375	L324-L348 HydrophobicContact CB-CD2 4.17Å; L324-L348 HydrophobicContact CD1-CD2 3.99Å; L332-L348 HydrophobicContact CD1-CD1 4.11Å; L332-L348 HydrophobicContact CD2-CD2 4.31Å; F337-L348 HydrophobicContact CE2-CD1 4.31Å; F337-L348 HydrophobicContact CZ-CD1 4.18Å; F337-L348 HydrophobicContact CZ-CD2 4.22Å; L346-L348 HydrophobicContact CD1-CD2 4.42Å; L346-L348 HydrophobicContact CD1-CG 4.13Å; L346-L348 HydrophobicContact CD2-CD1 4.08Å; L346-L348 HydrophobicContact CG-CD1 4.22Å; L346-L348 HydrophobicContact CG-CG 4.14Å; L348-N351 PolarHBondContact O-ND2 3.1Å; L348-I353 HydrophobicContact CB-CD1 4.47Å; L348-F361 HydrophobicContact CD1-CE1 4.24Å; L348-S371 PolarHBondContact N-O 3.09Å; L348-L372 HydrophobicContact CB-CD2 4.14Å; L348-L372 HydrophobicContact CD1-CD2 4.07Å; L348-I375 HydrophobicContact CB-CD1 4.25Å
349	S	94.8	Very high	92	Very high	2 Å²	2	46 Å²	46	1%	0.014	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	155.2	-171	59.5	0	0	0	0	114.5	G325 S326 N347 N351 S371 E373	G325-S349 CarbonylContact C-O 3.05Å; G325-S349 WeakPolarHBondContact CA-O 3.21Å; S326-S349 PolarHBondContact N-O 3.38Å; N347-S349 VanDerWaalsContact OD1-CB 3.24Å; N347-S349 WeakPolarHBondContact OD1-CB 3.36Å; N347-S349 PolarHBondContact OD1-N 3.11Å; N347-S349 PolarHBondContact OD1-OG 2.89Å; S349-N351 PolarHBondContact O-N 3.39Å; S349-N351 VanDerWaalsContact O-N 3.13Å; S349-N351 PolarHBondContact O-ND2 2.8Å; S349-N351 VanDerWaalsContact O-ND2 3.16Å; S349-S371 PolarHBondContact N-O 3.15Å; S349-E373 CarbonylContact C-O 3.56Å; S349-E373 WeakPolarHBondContact CA-O 3.48Å; S349-E373 WeakPolarHBondContact CB-O 3.36Å
350	Y	93.1	Very high	92	Very high	106 Å²	106	43.9 Å²	43.9	42%	0.416	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	37	175.7	-56.9	-85	0	0	0	114.2	E373	Y350-E373 HydrophobicContact CE2-CB 4.41Å; Y350-E373 HydrophobicContact CE2-CG 3.9Å; Y350-E373 PolarHBondContact N-O 3.04Å
351	N	93.9	Very high	92	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.027	21%	0.213	C	C	.	.			trans	-108	145.4	168.3	-80.8	-85	0	0	0	110.4	L324 N327 K328 I329 L348 S349 I353	L324-N351 PolarHBondContact O-ND2 2.72Å; N327-N351 VanDerWaalsContact CA-OD1 3.28Å; N327-N351 WeakPolarHBondContact CA-OD1 3.49Å; N327-N351 WeakPolarHBondContact CB-OD1 3.39Å; N327-N351 PolarHBondContact N-OD1 3.27Å; N327-N351 PolarHBondContact O-OD1 3.39Å; K328-N351 PolarHBondContact N-OD1 2.66Å; I329-N351 HydrophobicContact CB-CB 4.27Å; I329-N351 WeakPolarHBondContact CB-OD1 3.47Å; I329-N351 WeakPolarHBondContact CG1-OD1 3.34Å; I329-N351 PolarHBondContact N-OD1 2.94Å; L348-N351 PolarHBondContact O-ND2 3.1Å; S349-N351 PolarHBondContact O-N 3.39Å; S349-N351 VanDerWaalsContact O-N 3.13Å; S349-N351 PolarHBondContact O-ND2 2.8Å; S349-N351 VanDerWaalsContact O-ND2 3.16Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 3.85Å; N351-I353 PolarHBondContact O-N 2.86Å
352	P	91.4	Very high	92	Very high	69 Å²	69	40.1 Å²	40.1	45%	0.448	20%	0.199	S	C	.	.			trans	-75.9	43.1	178.9	34.5	-38	0	0	0	113.2	I329 E330 Q354	I329-P352 CarbonylContact O-C 3.56Å; I329-P352 WeakPolarHBondContact O-CD 3.45Å; E330-P352 WeakPolarHBondContact CA-O 3.43Å; E330-P352 HydrophobicContact CG-CG 4.17Å; P352-Q354 PolarHBondContact O-N 3.47Å
353	I	92.1	Very high	92	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	20%	0.201	C	C	.	.			trans	-69	116.5	-175.8	-65.9	167.1	0	0	0	109.6	I329 E330 L332 L348 N351 I356 I375	I329-I353 HydrophobicContact CB-CG1 4.5Å; I329-I353 HydrophobicContact CG2-CG1 4.35Å; I329-I353 WeakPolarHBondContact O-CG1 3.31Å; I329-I353 PolarHBondContact O-N 3.24Å; E330-I353 WeakPolarHBondContact O-CA 3.43Å; L332-I353 HydrophobicContact CD1-CD1 4.12Å; L332-I353 HydrophobicContact CD2-CD1 4.2Å; L332-I353 HydrophobicContact CG-CD1 4.08Å; L332-I353 HydrophobicContact CG-CG2 4.5Å; L348-I353 HydrophobicContact CB-CD1 4.47Å; N351-I353 HydrophobicContact CB-CD1 3.87Å; N351-I353 HydrophobicContact CB-CG1 3.85Å; N351-I353 PolarHBondContact O-N 2.86Å; I353-I356 HydrophobicContact CG2-CG1 3.85Å; I353-I375 HydrophobicContact CB-CG2 4.12Å; I353-I375 HydrophobicContact CD1-CD1 3.94Å
354	Q	84.9	Confident	92	Very high	113 Å²	113	41.3 Å²	41.3	53%	0.528	20%	0.201	S	C	.	.			trans	-79.1	-35.7	-175.5	-60	-176	15.6	0	0	113.3	E330 P352	E330-Q354 PolarHBondContact O-N 2.81Å; P352-Q354 PolarHBondContact O-N 3.47Å
355	K	86.4	Confident	91.8	Very high	155 Å²	155	45.2 Å²	45.2	67%	0.674	22%	0.224	S	C	*	.			trans	-147.6	139.1	-175.2	-63.9	-176.6	-176.4	174.2	0	110.9
356	I	91.1	Very high	91.7	Very high	17 Å²	17	48.1 Å²	48.1	9%	0.087	24%	0.236	C	C	.	.			trans	-116.2	132.1	171.7	-61.6	174.8	0	0	0	107.4	I353 Q360 F361 L372 I377	I353-I356 HydrophobicContact CG2-CG1 3.85Å; I356-Q360 HydrophobicContact CG2-CB 3.9Å; I356-Q360 HydrophobicContact CG2-CG 4.21Å; I356-F361 HydrophobicContact CG2-CE2 3.79Å; I356-F361 HydrophobicContact CG2-CZ 3.97Å; I356-L372 HydrophobicContact CD1-CD2 4.16Å; I356-I377 HydrophobicContact CD1-CD1 4.02Å; I356-I377 HydrophobicContact CD1-CG1 4.18Å
357	Q	90.4	Very high	91.6	Very high	83 Å²	83	48.1 Å²	48.1	39%	0.388	24%	0.236	S	C	.	.			trans	-75.7	149.1	-179.6	-60.3	-172.2	-8.6	0	0	111.4	N359 Q360	Q357-N359 PolarHBondContact O-N 3.23Å; Q357-N359 VanDerWaalsContact O-N 3.09Å; Q357-Q360 HydrophobicContact CB-CB 4.42Å; Q357-Q360 VanDerWaalsContact O-CB 3.31Å; Q357-Q360 WeakPolarHBondContact O-CB 3.36Å; Q357-Q360 PolarHBondContact O-N 3.34Å; Q357-Q360 VanDerWaalsContact O-N 3.09Å
358	A	89.8	Confident	91.4	Very high	36 Å²	36	51.6 Å²	51.6	30%	0.298	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.2	-176.2	0	0	0	0	0	114.4
359	N	91.1	Very high	91.3	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	11.4	179.3	63.1	-31.7	0	0	0	113.6	Q357 F361 D362	Q357-N359 PolarHBondContact O-N 3.23Å; Q357-N359 VanDerWaalsContact O-N 3.09Å; N359-F361 PolarHBondContact O-N 2.98Å; N359-F361 VanDerWaalsContact O-N 3.13Å; N359-D362 WeakPolarHBondContact CA-OD1 3.35Å; N359-D362 WeakPolarHBondContact CB-OD2 3.33Å; N359-D362 PolarHBondContact O-N 3.44Å
360	Q	91.4	Very high	91.3	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.028	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.5	-173.3	-166.6	68.8	27.1	0	0	113.3	L332 P333 I336 F337 I356 Q357	L332-Q360 HydrophobicContact CD1-CG 4.31Å; P333-Q360 PolarHBondContact O-NE2 2.99Å; I336-Q360 VanDerWaalsContact CG2-NE2 3.27Å; F337-Q360 HydrophobicContact CD2-CG 4.42Å; F337-Q360 HydrophobicContact CE2-CG 4.36Å; I356-Q360 HydrophobicContact CG2-CB 3.9Å; I356-Q360 HydrophobicContact CG2-CG 4.21Å; Q357-Q360 HydrophobicContact CB-CB 4.42Å; Q357-Q360 VanDerWaalsContact O-CB 3.31Å; Q357-Q360 WeakPolarHBondContact O-CB 3.36Å; Q357-Q360 PolarHBondContact O-N 3.34Å; Q357-Q360 VanDerWaalsContact O-N 3.09Å
361	F	93.1	Very high	91.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	4.6	-174	-48.5	-63.4	0	0	0	113.7	F337 L346 L348 I356 N359 Y363 L364 L370 L372 F385 L388	F337-F361 HydrophobicContact CD2-CD1 4.38Å; F337-F361 HydrophobicContact CE2-CE1 4.22Å; L346-F361 HydrophobicContact CD2-CD1 4.34Å; L346-F361 HydrophobicContact CD2-CE1 4.14Å; L348-F361 HydrophobicContact CD1-CE1 4.24Å; I356-F361 HydrophobicContact CG2-CE2 3.79Å; I356-F361 HydrophobicContact CG2-CZ 3.97Å; N359-F361 PolarHBondContact O-N 2.98Å; N359-F361 VanDerWaalsContact O-N 3.13Å; F361-Y363 PolarHBondContact O-N 3.14Å; F361-L364 HydrophobicContact CB-CD1 4.34Å; F361-L364 HydrophobicContact CD1-CD1 4Å; F361-L364 WeakPolarHBondContact O-CB 3.28Å; F361-L364 PolarHBondContact O-N 2.92Å; F361-L370 HydrophobicContact CD2-CD2 4.47Å; F361-L370 HydrophobicContact CE1-CD1 4.29Å; F361-L370 HydrophobicContact CE2-CD2 4.32Å; F361-L370 HydrophobicContact CZ-CD2 4.4Å; F361-L372 HydrophobicContact CZ-CD2 4.31Å; F361-F385 HydrophobicContact CE2-CE1 4.28Å; F361-L388 HydrophobicContact CB-CD1 4.04Å; F361-L388 HydrophobicContact CB-CD2 4.02Å; F361-L388 HydrophobicContact CB-CG 4.38Å; F361-L388 WeakPolarHBondContact O-CD2 3.34Å
362	D	91.6	Very high	91.4	Very high	46 Å²	46	47 Å²	47	25%	0.246	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.6	-171.6	-82	16	0	0	0	114.8	N359 R383 P387	N359-D362 WeakPolarHBondContact CA-OD1 3.35Å; N359-D362 WeakPolarHBondContact CB-OD2 3.33Å; N359-D362 PolarHBondContact O-N 3.44Å; D362-R383 IonicContact OD1-CZ 2.68Å; D362-R383 IonicContact OD1-NH1 3.91Å; D362-R383 PolarHBondContact OD1-NH1 3Å; D362-R383 IonicContact OD1-NH2 2.96Å; D362-R383 IonicContact OD2-CZ 3.84Å; D362-R383 IonicContact OD2-NH1 2.71Å; D362-R383 PolarHBondContact OD2-NH1 3.32Å; D362-R383 IonicContact OD2-NH2 3.89Å; D362-R383 PolarHBondContact OD2-NH2 3.23Å; D362-P387 WeakPolarHBondContact OD1-CG 3.5Å
363	Y	90.6	Very high	91.4	Very high	107 Å²	107	47.2 Å²	47.2	42%	0.42	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.6	-176.8	-59.2	-83.5	0	0	0	113.9	L335 K338 F361 V365	L335-Y363 HydrophobicContact CD2-CE2 3.61Å; K338-Y363 HydrophobicContact CB-CD2 4.11Å; K338-Y363 HydrophobicContact CB-CE2 4.4Å; K338-Y363 HydrophobicContact CB-CG 4.28Å; F361-Y363 PolarHBondContact O-N 3.14Å; Y363-V365 VanDerWaalsContact C-N 3.25Å; Y363-V365 WeakPolarHBondContact O-CG2 3.43Å; Y363-V365 PolarHBondContact O-N 3.41Å
364	L	92.8	Very high	91.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.			trans	-86.8	56.4	-173.9	-62.8	-178.3	0	0	0	111.9	F337 L340 L343 L346 F361 K366 L367 L388	F337-L364 HydrophobicContact CB-CD1 4.2Å; F337-L364 HydrophobicContact CB-CD2 4.01Å; F337-L364 HydrophobicContact CB-CG 4.25Å; F337-L364 HydrophobicContact CD2-CD1 4.43Å; F337-L364 HydrophobicContact CG-CD1 4.43Å; L340-L364 HydrophobicContact CB-CD2 4.13Å; L340-L364 WeakPolarHBondContact O-CD2 3.33Å; L343-L364 HydrophobicContact CB-CD2 4.08Å; L343-L364 HydrophobicContact CD2-CD1 4.34Å; L343-L364 HydrophobicContact CD2-CD2 3.91Å; L346-L364 HydrophobicContact CD2-CD1 3.83Å; F361-L364 HydrophobicContact CB-CD1 4.34Å; F361-L364 HydrophobicContact CD1-CD1 4Å; F361-L364 WeakPolarHBondContact O-CB 3.28Å; F361-L364 PolarHBondContact O-N 2.92Å; L364-K366 PolarHBondContact O-N 3.27Å; L364-L367 HydrophobicContact CB-CB 4.09Å; L364-L367 HydrophobicContact CB-CD2 4.33Å; L364-L367 HydrophobicContact CD1-CD2 4.11Å; L364-L367 VanDerWaalsContact O-CB 3.28Å; L364-L367 WeakPolarHBondContact O-CB 3.19Å; L364-L367 PolarHBondContact O-N 3.2Å; L364-L367 VanDerWaalsContact O-N 3.16Å; L364-L388 HydrophobicContact CB-CD2 3.98Å; L364-L388 WeakPolarHBondContact O-CD2 3.4Å
365	V	88.6	Confident	91.3	Very high	88 Å²	88	43.1 Å²	43.1	53%	0.533	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.3	-168.8	-143.3	0	0	0	0	113.8	Y363	Y363-V365 VanDerWaalsContact C-N 3.25Å; Y363-V365 WeakPolarHBondContact O-CG2 3.43Å; Y363-V365 PolarHBondContact O-N 3.41Å
366	K	91.7	Very high	91.2	Very high	90 Å²	90	39 Å²	39	39%	0.391	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.5	-180	-76.5	178.9	169	173.4	0	114.3	K341 E342 L343 L364 K368	K341-K366 WeakPolarHBondContact O-CD 3.11Å; E342-K366 IonicContact OE1-NZ 3.45Å; E342-K366 PolarHBondContact OE1-NZ 3.13Å; E342-K366 IonicContact OE2-NZ 2.73Å; E342-K366 PolarHBondContact OE2-NZ 3.01Å; L343-K366 CarbonylContact O-C 3.52Å; L343-K366 VanDerWaalsContact O-C 3.31Å; L364-K366 PolarHBondContact O-N 3.27Å; K366-K368 PolarHBondContact O-N 3.32Å
367	L	93.4	Very high	90.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.			trans	-64	125.8	-173.6	-160.6	72.9	0	0	0	111.5	L343 L346 L364 L370 L388 N390 L391	L343-L367 HydrophobicContact CD2-CD1 4.15Å; L343-L367 HydrophobicContact CG-CD1 4.16Å; L343-L367 VanDerWaalsContact O-CA 3.28Å; L343-L367 WeakPolarHBondContact O-CA 3.31Å; L343-L367 PolarHBondContact O-N 3.14Å; L346-L367 HydrophobicContact CB-CD1 3.86Å; L364-L367 HydrophobicContact CB-CB 4.09Å; L364-L367 HydrophobicContact CB-CD2 4.33Å; L364-L367 HydrophobicContact CD1-CD2 4.11Å; L364-L367 VanDerWaalsContact O-CB 3.28Å; L364-L367 WeakPolarHBondContact O-CB 3.19Å; L364-L367 PolarHBondContact O-N 3.2Å; L364-L367 VanDerWaalsContact O-N 3.16Å; L367-L370 HydrophobicContact CD2-CB 3.98Å; L367-L370 HydrophobicContact CD2-CD1 4.35Å; L367-L370 HydrophobicContact CD2-CD2 4.42Å; L367-L370 HydrophobicContact CD2-CG 4.48Å; L367-L388 HydrophobicContact CB-CD2 4.36Å; L367-L388 HydrophobicContact CD2-CD1 4.27Å; L367-L388 HydrophobicContact CD2-CD2 4.26Å; L367-N390 CarbonylContact O-C 3.08Å; L367-L391 HydrophobicContact CD2-CD1 4.17Å; L367-L391 HydrophobicContact CG-CD1 4.14Å; L367-L391 VanDerWaalsContact O-CA 3.3Å; L367-L391 WeakPolarHBondContact O-CA 3.47Å; L367-L391 PolarHBondContact O-N 3.49Å
368	K	91.9	Very high	90.3	Very high	90 Å²	90	39.1 Å²	39.1	39%	0.391	21%	0.212	S	C	.	.			trans	-108.7	-30.1	179.3	-63.2	-178.9	-175.4	170.3	0	113	N88 S344 K366 S392 H393	N88-K368 HydrophobicContact CB-CB 4.47Å; N88-K368 WeakPolarHBondContact OD1-CD 3.4Å; S344-K368 WeakPolarHBondContact O-CA 3.24Å; S344-K368 PolarHBondContact O-N 3.16Å; K366-K368 PolarHBondContact O-N 3.32Å; K368-S392 WeakPolarHBondContact O-CA 3.07Å; K368-S392 PolarHBondContact O-N 2.92Å; K368-S392 PolarHBondContact O-OG 3.36Å; K368-H393 PolarHBondContact O-N 2.96Å
369	S	92.9	Very high	89.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.6	176	178.5	0	0	0	0	111.9	D86 S344 Q345 L346 H393	D86-S369 VanDerWaalsContact OD1-CB 3.3Å; D86-S369 WeakPolarHBondContact OD1-CB 3.27Å; D86-S369 VanDerWaalsContact OD2-CB 3.24Å; D86-S369 WeakPolarHBondContact OD2-CB 3.13Å; D86-S369 PolarHBondContact OD2-OG 3.47Å; S344-S369 PolarHBondContact O-N 2.85Å; Q345-S369 WeakPolarHBondContact CA-O 3.24Å; L346-S369 PolarHBondContact N-O 3.06Å; S369-H393 WeakPolarHBondContact CA-O 3.36Å
370	L	95.1	Very high	89.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.2	175.8	177.2	57.7	0	0	0	110	L346 F361 L367 L372 F385 L388 L391 H393 I394 Y395	L346-L370 HydrophobicContact CB-CD1 4.14Å; L346-L370 HydrophobicContact CD2-CD1 4.02Å; L346-L370 HydrophobicContact CG-CD1 4.09Å; L346-L370 WeakPolarHBondContact O-CA 3.47Å; F361-L370 HydrophobicContact CD2-CD2 4.47Å; F361-L370 HydrophobicContact CE1-CD1 4.29Å; F361-L370 HydrophobicContact CE2-CD2 4.32Å; F361-L370 HydrophobicContact CZ-CD2 4.4Å; L367-L370 HydrophobicContact CD2-CB 3.98Å; L367-L370 HydrophobicContact CD2-CD1 4.35Å; L367-L370 HydrophobicContact CD2-CD2 4.42Å; L367-L370 HydrophobicContact CD2-CG 4.48Å; L370-L372 HydrophobicContact CD1-CD2 4.25Å; L370-L372 HydrophobicContact CD1-CG 4.21Å; L370-L372 HydrophobicContact CD2-CD1 4.04Å; L370-L372 HydrophobicContact CD2-CG 4.47Å; L370-L372 HydrophobicContact CG-CD1 4.18Å; L370-L372 HydrophobicContact CG-CG 4.07Å; L370-F385 HydrophobicContact CD2-CD1 4.24Å; L370-F385 HydrophobicContact CD2-CE1 4.15Å; L370-L388 HydrophobicContact CD2-CD1 4.06Å; L370-L391 HydrophobicContact CB-CD1 3.87Å; L370-L391 HydrophobicContact CB-CD2 4.4Å; L370-H393 PolarHBondContact N-O 2.84Å; L370-H393 VanDerWaalsContact N-O 3.14Å; L370-I394 HydrophobicContact CB-CG1 4.35Å; L370-I394 HydrophobicContact CD2-CD1 4.24Å; L370-I394 WeakPolarHBondContact O-CA 2.99Å; L370-Y395 PolarHBondContact O-N 3.19Å
371	S	94.8	Very high	89.4	Confident	13 Å²	13	43 Å²	43	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.4	174.2	-174.1	0	0	0	0	112.6	L346 N347 L348 S349	L346-S371 PolarHBondContact O-N 3.27Å; N347-S371 WeakPolarHBondContact OD1-CB 3.39Å; L348-S371 PolarHBondContact N-O 3.09Å; S349-S371 PolarHBondContact N-O 3.15Å
372	L	94.2	Very high	89	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	24.5	174.9	-58.8	171.5	0	0	0	110.7	L348 I356 F361 L370 I375 I377 F385 Y395 F396	L348-L372 HydrophobicContact CB-CD2 4.14Å; L348-L372 HydrophobicContact CD1-CD2 4.07Å; I356-L372 HydrophobicContact CD1-CD2 4.16Å; F361-L372 HydrophobicContact CZ-CD2 4.31Å; L370-L372 HydrophobicContact CD1-CD2 4.25Å; L370-L372 HydrophobicContact CD1-CG 4.21Å; L370-L372 HydrophobicContact CD2-CD1 4.04Å; L370-L372 HydrophobicContact CD2-CG 4.47Å; L370-L372 HydrophobicContact CG-CD1 4.18Å; L370-L372 HydrophobicContact CG-CG 4.07Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CD2-CD1 3.81Å; L372-I375 PolarHBondContact O-N 3.18Å; L372-I377 HydrophobicContact CD1-CD1 4.06Å; L372-F385 HydrophobicContact CD1-CE1 3.91Å; L372-F385 HydrophobicContact CD1-CZ 4.24Å; L372-Y395 CarbonylContact C-O 3.34Å; L372-Y395 VanDerWaalsContact CA-O 3.31Å; L372-Y395 WeakPolarHBondContact CA-O 3.37Å; L372-Y395 WeakPolarHBondContact CB-O 3.07Å; L372-Y395 PolarHBondContact N-O 3.48Å; L372-F396 HydrophobicContact CB-CD1 4.25Å; L372-F396 HydrophobicContact CD1-CD1 4.42Å; L372-F396 HydrophobicContact CD1-CE1 3.94Å
373	E	90.8	Very high	88.9	Confident	74 Å²	74	50.5 Å²	50.5	35%	0.346	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	144.5	176.6	-176.3	169.8	-143.2	0	0	111.4	S349 Y350 I375 Y395	S349-E373 CarbonylContact C-O 3.56Å; S349-E373 WeakPolarHBondContact CA-O 3.48Å; S349-E373 WeakPolarHBondContact CB-O 3.36Å; Y350-E373 HydrophobicContact CE2-CB 4.41Å; Y350-E373 HydrophobicContact CE2-CG 3.9Å; Y350-E373 PolarHBondContact N-O 3.04Å; E373-I375 PolarHBondContact O-N 3Å; E373-I375 VanDerWaalsContact O-N 3.07Å; E373-Y395 PolarHBondContact N-O 3.01Å
374	G	85.7	Confident	88.9	Confident	30 Å²	30	45.6 Å²	45.6	31%	0.309	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-9.1	-176.6	0	0	0	0	0	116.2
375	I	89.8	Confident	88.9	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.015	24%	0.235	C	C	.	.			trans	-89	133.9	176.9	-51.9	172	0	0	0	110.6	L348 I353 L372 E373 I377 K397	L348-I375 HydrophobicContact CB-CD1 4.25Å; I353-I375 HydrophobicContact CB-CG2 4.12Å; I353-I375 HydrophobicContact CD1-CD1 3.94Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CD2-CD1 3.81Å; L372-I375 PolarHBondContact O-N 3.18Å; E373-I375 PolarHBondContact O-N 3Å; E373-I375 VanDerWaalsContact O-N 3.07Å; I375-I377 HydrophobicContact CG2-CG1 4.14Å; I375-K397 WeakPolarHBondContact O-CB 3.37Å
376	E	83.4	Confident	88.9	Confident	69 Å²	69	49.5 Å²	49.5	32%	0.322	24%	0.24	S	C	.	.			trans	-97.3	113.4	171.2	-179	154.9	-127.6	0	0	111.3	K397 K398	E376-K397 HydrophobicContact CB-CD 4.46Å; E376-K398 IonicContact OE1-NZ 2.7Å; E376-K398 PolarHBondContact OE1-NZ 3.44Å
377	I	85.4	Confident	88.8	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.046	23%	0.232	C	C	.	.			trans	-101	95.5	-174.6	-49.3	175.2	0	0	0	108.8	I356 L372 I375 I380 F396 Y401	I356-I377 HydrophobicContact CD1-CD1 4.02Å; I356-I377 HydrophobicContact CD1-CG1 4.18Å; L372-I377 HydrophobicContact CD1-CD1 4.06Å; I375-I377 HydrophobicContact CG2-CG1 4.14Å; I377-I380 HydrophobicContact CB-CB 4.14Å; I377-I380 HydrophobicContact CD1-CD1 4.42Å; I377-I380 HydrophobicContact CG2-CB 3.73Å; I377-I380 HydrophobicContact CG2-CG1 4.26Å; I377-F396 HydrophobicContact CD1-CD1 4.34Å; I377-F396 HydrophobicContact CD1-CE1 4.14Å; I377-Y401 HydrophobicContact CB-CE2 4.43Å; I377-Y401 PolarHBondContact N-OH 3.29Å; I377-Y401 PolarHBondContact O-OH 3.13Å
378	S	77.8	Confident	88.7	Confident	93 Å²	93	46.8 Å²	46.8	65%	0.65	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.3	-174	52.1	0	0	0	0	114.9
379	N	79.6	Confident	88.4	Confident	103 Å²	103	49 Å²	49	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	53.2	178.2	-179.9	34.4	0	0	0	110.4	Q381 M384	N379-Q381 PolarHBondContact ND2-NE2 3.37Å; N379-Q381 PolarHBondContact OD1-NE2 3.15Å; N379-M384 WeakPolarHBondContact O-CE 3.42Å
380	I	86.1	Confident	88.2	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.056	27%	0.268	C	S	.	.			trans	-66.6	136.2	178.3	-169.6	169.8	0	0	0	110.9	I377 M384 F385 F396 Y401 Y404	I377-I380 HydrophobicContact CB-CB 4.14Å; I377-I380 HydrophobicContact CD1-CD1 4.42Å; I377-I380 HydrophobicContact CG2-CB 3.73Å; I377-I380 HydrophobicContact CG2-CG1 4.26Å; I380-M384 HydrophobicContact CG1-SD 4.36Å; I380-F385 HydrophobicContact CD1-CE2 3.96Å; I380-F385 HydrophobicContact CD1-CZ 4.39Å; I380-F385 HydrophobicContact CG1-CE2 3.9Å; I380-F385 HydrophobicContact CG1-CZ 4.48Å; I380-F396 HydrophobicContact CD1-CE1 4.2Å; I380-F396 HydrophobicContact CD1-CZ 4.36Å; I380-Y401 HydrophobicContact CD1-CD1 3.66Å; I380-Y401 HydrophobicContact CD1-CD2 4.28Å; I380-Y401 HydrophobicContact CD1-CE1 4.35Å; I380-Y401 HydrophobicContact CD1-CG 3.61Å; I380-Y401 HydrophobicContact CG2-CD1 4.02Å; I380-Y401 HydrophobicContact CG2-CE1 3.99Å; I380-Y404 HydrophobicContact CD1-CD2 3.84Å; I380-Y404 HydrophobicContact CD1-CG 4.13Å; I380-Y404 HydrophobicContact CG1-CD1 4.45Å; I380-Y404 HydrophobicContact CG1-CD2 4Å; I380-Y404 HydrophobicContact CG1-CG 3.95Å; I380-Y404 HydrophobicContact CG2-CD2 3.87Å; I380-Y404 HydrophobicContact CG2-CE1 4.25Å; I380-Y404 HydrophobicContact CG2-CE2 3.51Å; I380-Y404 HydrophobicContact CG2-CG 4.39Å
381	Q	87	Confident	88	Confident	74 Å²	74	53.6 Å²	53.6	35%	0.346	27%	0.27	S	S	.	.			trans	-141.8	142.3	-176.1	-63.4	-177.3	0.4	0	0	111.1	N379 R383 M384	N379-Q381 PolarHBondContact ND2-NE2 3.37Å; N379-Q381 PolarHBondContact OD1-NE2 3.15Å; Q381-R383 PolarHBondContact O-N 3.34Å; Q381-R383 VanDerWaalsContact O-N 3.08Å; Q381-M384 HydrophobicContact CB-CE 4.41Å; Q381-M384 HydrophobicContact CB-CG 4.44Å; Q381-M384 PolarHBondContact N-SD 3.28Å; Q381-M384 VanDerWaalsContact O-CB 3.29Å; Q381-M384 WeakPolarHBondContact O-CB 3.44Å; Q381-M384 WeakPolarHBondContact O-CG 3.39Å; Q381-M384 PolarHBondContact O-N 3Å
382	Q	85.5	Confident	87.7	Confident	94 Å²	94	54.5 Å²	54.5	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-27.3	-180	-165.8	-177.2	23	0	0	112.3	M384 F385 R386 Y404	Q382-M384 PolarHBondContact O-N 3.49Å; Q382-F385 PolarHBondContact O-N 3.44Å; Q382-R386 WeakPolarHBondContact O-CB 3.33Å; Q382-R386 PolarHBondContact O-N 3.15Å; Q382-Y404 HydrophobicContact CB-CD1 4.47Å
383	R	90.1	Very high	87.6	Confident	111 Å²	111	55 Å²	55	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-25	175.4	178	56.2	-173.7	77.1	-0.3	113.6	D362 Q381 P387	D362-R383 IonicContact OD1-CZ 2.68Å; D362-R383 IonicContact OD1-NH1 3.91Å; D362-R383 PolarHBondContact OD1-NH1 3Å; D362-R383 IonicContact OD1-NH2 2.96Å; D362-R383 IonicContact OD2-CZ 3.84Å; D362-R383 IonicContact OD2-NH1 2.71Å; D362-R383 PolarHBondContact OD2-NH1 3.32Å; D362-R383 IonicContact OD2-NH2 3.89Å; D362-R383 PolarHBondContact OD2-NH2 3.23Å; Q381-R383 PolarHBondContact O-N 3.34Å; Q381-R383 VanDerWaalsContact O-N 3.08Å; R383-P387 VanDerWaalsContact NH1-CG 3.32Å; R383-P387 WeakPolarHBondContact O-CD 3.47Å
384	M	90.7	Very high	87.6	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-40.4	178	-67.6	169.6	174.2	0	0	112.5	N379 I380 Q381 Q382	N379-M384 WeakPolarHBondContact O-CE 3.42Å; I380-M384 HydrophobicContact CG1-SD 4.36Å; Q381-M384 HydrophobicContact CB-CE 4.41Å; Q381-M384 HydrophobicContact CB-CG 4.44Å; Q381-M384 PolarHBondContact N-SD 3.28Å; Q381-M384 VanDerWaalsContact O-CB 3.29Å; Q381-M384 WeakPolarHBondContact O-CB 3.44Å; Q381-M384 WeakPolarHBondContact O-CG 3.39Å; Q381-M384 PolarHBondContact O-N 3Å; Q382-M384 PolarHBondContact O-N 3.49Å
385	F	92.2	Very high	87.9	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-102.7	-24.2	-172.3	-49.8	-67.5	0	0	0	112.4	F361 L370 L372 I380 Q382 P387 L388 I394 F396 A405 H407	F361-F385 HydrophobicContact CE2-CE1 4.28Å; L370-F385 HydrophobicContact CD2-CD1 4.24Å; L370-F385 HydrophobicContact CD2-CE1 4.15Å; L372-F385 HydrophobicContact CD1-CE1 3.91Å; L372-F385 HydrophobicContact CD1-CZ 4.24Å; I380-F385 HydrophobicContact CD1-CE2 3.96Å; I380-F385 HydrophobicContact CD1-CZ 4.39Å; I380-F385 HydrophobicContact CG1-CE2 3.9Å; I380-F385 HydrophobicContact CG1-CZ 4.48Å; Q382-F385 PolarHBondContact O-N 3.44Å; F385-P387 VanDerWaalsContact C-N 3.29Å; F385-P387 WeakPolarHBondContact O-CD 3.44Å; F385-P387 VanDerWaalsContact O-N 3.08Å; F385-L388 HydrophobicContact CD1-CD1 4.39Å; F385-L388 WeakPolarHBondContact O-CB 3.31Å; F385-L388 PolarHBondContact O-N 3.2Å; F385-I394 HydrophobicContact CD1-CD1 3.77Å; F385-I394 HydrophobicContact CE1-CD1 3.9Å; F385-I394 HydrophobicContact CG-CD1 4.33Å; F385-F396 HydrophobicContact CD2-CZ 4.48Å; F385-F396 HydrophobicContact CE1-CE1 4.23Å; F385-F396 HydrophobicContact CE1-CZ 4.12Å; F385-F396 HydrophobicContact CE2-CE1 4.26Å; F385-F396 AromaticContact CE2-CZ 3.87Å; F385-F396 HydrophobicContact CE2-CZ 3.87Å; F385-F396 AromaticContact CZ-CE1 3.7Å; F385-F396 HydrophobicContact CZ-CE1 3.7Å; F385-F396 AromaticContact CZ-CZ 3.67Å; F385-F396 HydrophobicContact CZ-CZ 3.67Å; F385-A405 HydrophobicContact CB-CB 4.39Å; F385-A405 HydrophobicContact CD2-CB 4.49Å; F385-A405 HydrophobicContact CG-CB 4.47Å; F385-H407 PolarHBondContact O-CE1 3.29Å; F385-H407 VanDerWaalsContact O-CE1 3.29Å; F385-H407 PolarHBondContact O-NE2 3.01Å
386	R	87.9	Confident	88	Confident	170 Å²	170	52.5 Å²	52.5	64%	0.642	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-33.1	179.7	-174.3	176.2	-179.4	-170.5	0.4	116.1	Q382 L388 M389	Q382-R386 WeakPolarHBondContact O-CB 3.33Å; Q382-R386 PolarHBondContact O-N 3.15Å; R386-L388 VanDerWaalsContact C-N 3.29Å; R386-L388 PolarHBondContact O-N 3.04Å; R386-M389 WeakPolarHBondContact O-CE 3.36Å
387	P	89.4	Confident	88.1	Confident	32 Å²	32	51.7 Å²	51.7	21%	0.208	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.3	175.7	-20.3	33.5	0	0	0	114.6	D362 R383 F385 M389	D362-P387 WeakPolarHBondContact OD1-CG 3.5Å; R383-P387 VanDerWaalsContact NH1-CG 3.32Å; R383-P387 WeakPolarHBondContact O-CD 3.47Å; F385-P387 VanDerWaalsContact C-N 3.29Å; F385-P387 WeakPolarHBondContact O-CD 3.44Å; F385-P387 VanDerWaalsContact O-N 3.08Å; P387-M389 PolarHBondContact O-N 2.85Å
388	L	91.4	Very high	87.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.259	C	S	.	.			trans	-83.8	61.3	-170.7	-55.2	175.1	0	0	0	111.3	F361 L364 L367 L370 F385 R386 N390 L391	F361-L388 HydrophobicContact CB-CD1 4.04Å; F361-L388 HydrophobicContact CB-CD2 4.02Å; F361-L388 HydrophobicContact CB-CG 4.38Å; F361-L388 WeakPolarHBondContact O-CD2 3.34Å; L364-L388 HydrophobicContact CB-CD2 3.98Å; L364-L388 WeakPolarHBondContact O-CD2 3.4Å; L367-L388 HydrophobicContact CB-CD2 4.36Å; L367-L388 HydrophobicContact CD2-CD1 4.27Å; L367-L388 HydrophobicContact CD2-CD2 4.26Å; L370-L388 HydrophobicContact CD2-CD1 4.06Å; F385-L388 HydrophobicContact CD1-CD1 4.39Å; F385-L388 WeakPolarHBondContact O-CB 3.31Å; F385-L388 PolarHBondContact O-N 3.2Å; R386-L388 VanDerWaalsContact C-N 3.29Å; R386-L388 PolarHBondContact O-N 3.04Å; L388-N390 PolarHBondContact O-N 3.39Å; L388-N390 VanDerWaalsContact O-N 3.13Å; L388-L391 HydrophobicContact CB-CB 3.92Å; L388-L391 HydrophobicContact CB-CD2 4.15Å; L388-L391 HydrophobicContact CD1-CD2 3.95Å; L388-L391 WeakPolarHBondContact O-CB 3.41Å; L388-L391 PolarHBondContact O-N 3.29Å
389	M	86.1	Confident	88	Confident	136 Å²	136	49.4 Å²	49.4	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.5	-172	-61.3	-62.9	178.7	0	0	114.5	R386 P387	R386-M389 WeakPolarHBondContact O-CE 3.36Å; P387-M389 PolarHBondContact O-N 2.85Å
390	N	89.9	Confident	88	Confident	94 Å²	94	45.6 Å²	45.6	50%	0.503	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.7	178.2	-77.1	12.8	0	0	0	113.6	L367 L388 S392	L367-N390 CarbonylContact O-C 3.08Å; L388-N390 PolarHBondContact O-N 3.39Å; L388-N390 VanDerWaalsContact O-N 3.13Å; N390-S392 PolarHBondContact O-N 3.19Å
391	L	91.1	Very high	88	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	21%	0.208	C	C	.	.			trans	-71.5	116.3	-172.6	-165.5	67.8	0	0	0	111	L367 L370 L388 I394 V408	L367-L391 HydrophobicContact CD2-CD1 4.17Å; L367-L391 HydrophobicContact CG-CD1 4.14Å; L367-L391 VanDerWaalsContact O-CA 3.3Å; L367-L391 WeakPolarHBondContact O-CA 3.47Å; L367-L391 PolarHBondContact O-N 3.49Å; L370-L391 HydrophobicContact CB-CD1 3.87Å; L370-L391 HydrophobicContact CB-CD2 4.4Å; L388-L391 HydrophobicContact CB-CB 3.92Å; L388-L391 HydrophobicContact CB-CD2 4.15Å; L388-L391 HydrophobicContact CD1-CD2 3.95Å; L388-L391 WeakPolarHBondContact O-CB 3.41Å; L388-L391 PolarHBondContact O-N 3.29Å; L391-I394 HydrophobicContact CD2-CB 4.23Å; L391-I394 HydrophobicContact CD2-CD1 3.99Å; L391-I394 HydrophobicContact CD2-CG1 4.43Å; L391-V408 HydrophobicContact CB-CG2 4.11Å; L391-V408 HydrophobicContact CD2-CG2 3.72Å; L391-V408 HydrophobicContact CG-CG1 4.26Å; L391-V408 HydrophobicContact CG-CG2 3.98Å; L391-V408 WeakPolarHBondContact O-CA 3.3Å
392	S	88.6	Confident	87.9	Confident	32 Å²	32	41.9 Å²	41.9	22%	0.224	19%	0.191	C	C	.	.			trans	-98.9	-34.9	-177.5	68.7	0	0	0	0	112.7	N88 K368 N390 V408 R409 S410	N88-S392 PolarHBondContact ND2-OG 2.86Å; K368-S392 WeakPolarHBondContact O-CA 3.07Å; K368-S392 PolarHBondContact O-N 2.92Å; K368-S392 PolarHBondContact O-OG 3.36Å; N390-S392 PolarHBondContact O-N 3.19Å; S392-V408 VanDerWaalsContact C-CG1 3.45Å; S392-V408 WeakPolarHBondContact O-CG1 3.39Å; S392-R409 PolarHBondContact O-N 3.07Å; S392-S410 PolarHBondContact O-N 3.03Å
393	H	90.7	Very high	87.6	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.2	-175.8	-70.7	80.6	0	0	0	110.1	D86 K368 S369 L370 Y395 S410	D86-H393 HydrophobicContact CB-CB 4.48Å; D86-H393 IonicContact OD1-CG 2.84Å; D86-H393 IonicContact OD1-ND1 2.72Å; K368-H393 PolarHBondContact O-N 2.96Å; S369-H393 WeakPolarHBondContact CA-O 3.36Å; L370-H393 PolarHBondContact N-O 2.84Å; L370-H393 VanDerWaalsContact N-O 3.14Å; H393-Y395 HydrophobicContact CB-CE2 4.04Å; H393-S410 WeakPolarHBondContact CA-O 3.37Å
394	I	92.3	Very high	87.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.5	170.9	-165	169.1	0	0	0	111.1	L370 F385 L391 F396 A405 V408 S410 C411 K412	L370-I394 HydrophobicContact CB-CG1 4.35Å; L370-I394 HydrophobicContact CD2-CD1 4.24Å; L370-I394 WeakPolarHBondContact O-CA 2.99Å; F385-I394 HydrophobicContact CD1-CD1 3.77Å; F385-I394 HydrophobicContact CE1-CD1 3.9Å; F385-I394 HydrophobicContact CG-CD1 4.33Å; L391-I394 HydrophobicContact CD2-CB 4.23Å; L391-I394 HydrophobicContact CD2-CD1 3.99Å; L391-I394 HydrophobicContact CD2-CG1 4.43Å; I394-F396 HydrophobicContact CD1-CE1 4.03Å; I394-F396 HydrophobicContact CD1-CE2 3.62Å; I394-F396 HydrophobicContact CD1-CZ 3.3Å; I394-F396 HydrophobicContact CG1-CD2 4.38Å; I394-F396 HydrophobicContact CG1-CE1 4.4Å; I394-F396 HydrophobicContact CG1-CE2 3.88Å; I394-F396 HydrophobicContact CG1-CZ 3.91Å; I394-F396 HydrophobicContact CG2-CD2 4.42Å; I394-F396 HydrophobicContact CG2-CE2 4Å; I394-A405 HydrophobicContact CD1-CB 4.22Å; I394-A405 HydrophobicContact CG2-CB 4.28Å; I394-V408 HydrophobicContact CB-CG1 4.16Å; I394-V408 HydrophobicContact CG2-CB 4.19Å; I394-V408 HydrophobicContact CG2-CG1 3.83Å; I394-V408 HydrophobicContact CG2-CG2 4.23Å; I394-S410 PolarHBondContact N-O 3.29Å; I394-C411 HydrophobicContact CG2-CB 3.81Å; I394-C411 VanDerWaalsContact CG2-SG 3.51Å; I394-C411 WeakPolarHBondContact O-CA 3.38Å; I394-K412 PolarHBondContact O-N 3.49Å
395	Y	92	Very high	87.3	Confident	51 Å²	51	36.7 Å²	36.7	20%	0.2	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.5	-179.7	-56.8	-96.2	0	0	0	109.9	D86 L370 L372 E373 H393 K412	D86-Y395 HydrophobicContact CB-CE2 4.4Å; D86-Y395 WeakPolarHBondContact CB-OH 3.32Å; L370-Y395 PolarHBondContact O-N 3.19Å; L372-Y395 CarbonylContact C-O 3.34Å; L372-Y395 VanDerWaalsContact CA-O 3.31Å; L372-Y395 WeakPolarHBondContact CA-O 3.37Å; L372-Y395 WeakPolarHBondContact CB-O 3.07Å; L372-Y395 PolarHBondContact N-O 3.48Å; E373-Y395 PolarHBondContact N-O 3.01Å; H393-Y395 HydrophobicContact CB-CE2 4.04Å; Y395-K412 HydrophobicContact CD1-CB 3.74Å; Y395-K412 HydrophobicContact CD1-CG 4.14Å; Y395-K412 HydrophobicContact CE1-CB 4.03Å; Y395-K412 HydrophobicContact CE1-CG 3.88Å
396	F	91.3	Very high	86.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159.7	-177.5	-76.4	-58.5	0	0	0	111.3	L372 I377 I380 F385 I394 Y401 A405 K412 P413	L372-F396 HydrophobicContact CB-CD1 4.25Å; L372-F396 HydrophobicContact CD1-CD1 4.42Å; L372-F396 HydrophobicContact CD1-CE1 3.94Å; I377-F396 HydrophobicContact CD1-CD1 4.34Å; I377-F396 HydrophobicContact CD1-CE1 4.14Å; I380-F396 HydrophobicContact CD1-CE1 4.2Å; I380-F396 HydrophobicContact CD1-CZ 4.36Å; F385-F396 HydrophobicContact CD2-CZ 4.48Å; F385-F396 HydrophobicContact CE1-CE1 4.23Å; F385-F396 HydrophobicContact CE1-CZ 4.12Å; F385-F396 HydrophobicContact CE2-CE1 4.26Å; F385-F396 AromaticContact CE2-CZ 3.87Å; F385-F396 HydrophobicContact CE2-CZ 3.87Å; F385-F396 AromaticContact CZ-CE1 3.7Å; F385-F396 HydrophobicContact CZ-CE1 3.7Å; F385-F396 AromaticContact CZ-CZ 3.67Å; F385-F396 HydrophobicContact CZ-CZ 3.67Å; I394-F396 HydrophobicContact CD1-CE1 4.03Å; I394-F396 HydrophobicContact CD1-CE2 3.62Å; I394-F396 HydrophobicContact CD1-CZ 3.3Å; I394-F396 HydrophobicContact CG1-CD2 4.38Å; I394-F396 HydrophobicContact CG1-CE1 4.4Å; I394-F396 HydrophobicContact CG1-CE2 3.88Å; I394-F396 HydrophobicContact CG1-CZ 3.91Å; I394-F396 HydrophobicContact CG2-CD2 4.42Å; I394-F396 HydrophobicContact CG2-CE2 4Å; F396-Y401 HydrophobicContact CB-CD2 4.04Å; F396-Y401 AromaticContact CD1-CD2 3.98Å; F396-Y401 HydrophobicContact CD1-CD2 3.98Å; F396-Y401 HydrophobicContact CD1-CG 4.36Å; F396-Y401 WeakPolarHBondContact CE2-O 3.29Å; F396-Y401 HydrophobicContact CG-CD2 4.15Å; F396-Y401 HydrophobicContact CG-CG 4.38Å; F396-A405 HydrophobicContact CE2-CB 4.38Å; F396-K412 PolarHBondContact N-O 3.04Å; F396-P413 WeakPolarHBondContact O-CD 3.45Å
397	K	84.4	Confident	86.7	Confident	52 Å²	52	31.6 Å²	31.6	23%	0.226	16%	0.164	C	C	.	.	S	Bend	trans	-65.5	-38.5	168.7	-175.8	-179.4	173.4	-179.6	0	113	I375 E376 T593	I375-K397 WeakPolarHBondContact O-CB 3.37Å; E376-K397 HydrophobicContact CB-CD 4.46Å; K397-T593 VanDerWaalsContact NZ-CG2 3.33Å; K397-T593 PolarHBondContact NZ-OG1 2.88Å
398	K	80.9	Confident	86.6	Confident	45 Å²	45	30 Å²	30	20%	0.196	15%	0.154	C	C	.	.	S	Bend	trans	-123.7	131.8	-172.2	-63.5	-178.7	169.6	175.6	0	110.6	E376 Q400 Y401	E376-K398 IonicContact OE1-NZ 2.7Å; E376-K398 PolarHBondContact OE1-NZ 3.44Å; K398-Q400 HydrophobicContact CB-CG 4.05Å; K398-Q400 PolarHBondContact O-N 2.92Å; K398-Q400 VanDerWaalsContact O-N 3.15Å; K398-Y401 HydrophobicContact CB-CD2 4.09Å; K398-Y401 HydrophobicContact CB-CE2 4.06Å; K398-Y401 HydrophobicContact CB-CG 4.41Å; K398-Y401 HydrophobicContact CD-CE2 4.5Å; K398-Y401 HydrophobicContact CG-CE2 4.36Å; K398-Y401 WeakPolarHBondContact O-CB 3.44Å; K398-Y401 PolarHBondContact O-N 2.89Å
399	F	80.4	Confident	86.3	Confident	10 Å²	10	32.6 Å²	32.6	4%	0.044	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-56.5	-33	-178.6	74.2	-83.9	0	0	0	113.1	Y401 C402 P413 D416 L421 Y494	F399-Y401 PolarHBondContact O-N 3.3Å; F399-Y401 VanDerWaalsContact O-N 3.09Å; F399-C402 VanDerWaalsContact O-CB 3.3Å; F399-C402 WeakPolarHBondContact O-CB 3.37Å; F399-C402 PolarHBondContact O-N 3.4Å; F399-C402 PolarHBondContact O-SG 3.47Å; F399-P413 WeakPolarHBondContact CA-O 3.49Å; F399-P413 HydrophobicContact CB-CG 4.27Å; F399-P413 WeakPolarHBondContact CB-O 3.45Å; F399-D416 HydrophobicContact CD1-CB 3.85Å; F399-D416 HydrophobicContact CE1-CB 3.76Å; F399-D416 WeakPolarHBondContact CE1-OD2 3.29Å; F399-L421 HydrophobicContact CD2-CD2 4.11Å; F399-Y494 HydrophobicContact CE2-CD1 4.37Å; F399-Y494 HydrophobicContact CE2-CE1 4.17Å; F399-Y494 AromaticContact CZ-CE1 3.96Å; F399-Y494 HydrophobicContact CZ-CE1 3.96Å
400	Q	79.4	Confident	86.3	Confident	22 Å²	22	26.2 Å²	26.2	10%	0.103	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.1	-24.6	177.7	70	179.3	4.2	0	0	113.8	K398 C402 G403 N495 A498	K398-Q400 HydrophobicContact CB-CG 4.05Å; K398-Q400 PolarHBondContact O-N 2.92Å; K398-Q400 VanDerWaalsContact O-N 3.15Å; Q400-C402 PolarHBondContact O-N 2.92Å; Q400-G403 PolarHBondContact O-N 3.27Å; Q400-N495 WeakPolarHBondContact CA-OD1 3.48Å; Q400-N495 PolarHBondContact O-OD1 3.39Å; Q400-A498 HydrophobicContact CB-CB 4.33Å
401	Y	86	Confident	86.2	Confident	8 Å²	8	22 Å²	22	3%	0.031	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-68.9	-20.8	179.1	-64.5	-23	0	0	0	112.7	I377 I380 F396 K398 F399 G403 Y404	I377-Y401 HydrophobicContact CB-CE2 4.43Å; I377-Y401 PolarHBondContact N-OH 3.29Å; I377-Y401 PolarHBondContact O-OH 3.13Å; I380-Y401 HydrophobicContact CD1-CD1 3.66Å; I380-Y401 HydrophobicContact CD1-CD2 4.28Å; I380-Y401 HydrophobicContact CD1-CE1 4.35Å; I380-Y401 HydrophobicContact CD1-CG 3.61Å; I380-Y401 HydrophobicContact CG2-CD1 4.02Å; I380-Y401 HydrophobicContact CG2-CE1 3.99Å; F396-Y401 HydrophobicContact CB-CD2 4.04Å; F396-Y401 AromaticContact CD1-CD2 3.98Å; F396-Y401 HydrophobicContact CD1-CD2 3.98Å; F396-Y401 HydrophobicContact CD1-CG 4.36Å; F396-Y401 WeakPolarHBondContact CE2-O 3.29Å; F396-Y401 HydrophobicContact CG-CD2 4.15Å; F396-Y401 HydrophobicContact CG-CG 4.38Å; K398-Y401 HydrophobicContact CB-CD2 4.09Å; K398-Y401 HydrophobicContact CB-CE2 4.06Å; K398-Y401 HydrophobicContact CB-CG 4.41Å; K398-Y401 HydrophobicContact CD-CE2 4.5Å; K398-Y401 HydrophobicContact CG-CE2 4.36Å; K398-Y401 WeakPolarHBondContact O-CB 3.44Å; K398-Y401 PolarHBondContact O-N 2.89Å; F399-Y401 PolarHBondContact O-N 3.3Å; F399-Y401 VanDerWaalsContact O-N 3.09Å; Y401-G403 PolarHBondContact O-N 2.96Å; Y401-G403 VanDerWaalsContact O-N 3.16Å; Y401-Y404 PolarHBondContact O-N 3.48Å
402	C	85.2	Confident	85.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.9	171.8	-64.8	0	0	0	0	112.9	F399 Q400 Y404 A405 C411 L421	F399-C402 VanDerWaalsContact O-CB 3.3Å; F399-C402 WeakPolarHBondContact O-CB 3.37Å; F399-C402 PolarHBondContact O-N 3.4Å; F399-C402 PolarHBondContact O-SG 3.47Å; Q400-C402 PolarHBondContact O-N 2.92Å; C402-Y404 PolarHBondContact O-N 3.34Å; C402-Y404 VanDerWaalsContact O-N 3.14Å; C402-A405 CarbonylContact O-C 3.5Å; C402-A405 PolarHBondContact O-N 2.94Å; C402-C411 WeakPolarHBondContact CA-SG 3.43Å; C402-C411 HydrophobicContact CB-CB 3.81Å; C402-C411 WeakPolarHBondContact CB-SG 3.33Å; C402-C411 WeakPolarHBondContact SG-CB 3.27Å; C402-C411 CovalentContact SG-SG 2.03Å; C402-C411 PolarHBondContact SG-SG 3.08Å; C402-L421 HydrophobicContact CB-CD2 3.95Å
403	G	80.3	Confident	85.5	Confident	36 Å²	36	25 Å²	25	37%	0.371	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-59.6	-22.6	175.1	0	0	0	0	0	114.5	Q400 Y401 N495	Q400-G403 PolarHBondContact O-N 3.27Å; Y401-G403 PolarHBondContact O-N 2.96Å; Y401-G403 VanDerWaalsContact O-N 3.16Å; G403-N495 VanDerWaalsContact CA-ND2 3.29Å; G403-N495 WeakPolarHBondContact CA-ND2 3.35Å; G403-N495 PolarHBondContact N-ND2 3.45Å
404	Y	85.6	Confident	84.6	Confident	63 Å²	63	26.3 Å²	26.3	25%	0.247	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-88.6	-7.9	177.4	-63.5	-87	0	0	0	113.6	I380 Q382 Y401 C402 Q499	I380-Y404 HydrophobicContact CD1-CD2 3.84Å; I380-Y404 HydrophobicContact CD1-CG 4.13Å; I380-Y404 HydrophobicContact CG1-CD1 4.45Å; I380-Y404 HydrophobicContact CG1-CD2 4Å; I380-Y404 HydrophobicContact CG1-CG 3.95Å; I380-Y404 HydrophobicContact CG2-CD2 3.87Å; I380-Y404 HydrophobicContact CG2-CE1 4.25Å; I380-Y404 HydrophobicContact CG2-CE2 3.51Å; I380-Y404 HydrophobicContact CG2-CG 4.39Å; Q382-Y404 HydrophobicContact CB-CD1 4.47Å; Y401-Y404 PolarHBondContact O-N 3.48Å; C402-Y404 PolarHBondContact O-N 3.34Å; C402-Y404 VanDerWaalsContact O-N 3.14Å; Y404-Q499 PolarHBondContact OH-OE1 3.46Å
405	A	87.9	Confident	83.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.			trans	-127.1	52.8	-178.6	0	0	0	0	0	113.4	Q65 F385 I394 F396 C402 H407 V408	Q65-A405 PolarHBondContact NE2-O 2.92Å; Q65-A405 VanDerWaalsContact NE2-O 3.1Å; F385-A405 HydrophobicContact CB-CB 4.39Å; F385-A405 HydrophobicContact CD2-CB 4.49Å; F385-A405 HydrophobicContact CG-CB 4.47Å; I394-A405 HydrophobicContact CD1-CB 4.22Å; I394-A405 HydrophobicContact CG2-CB 4.28Å; F396-A405 HydrophobicContact CE2-CB 4.38Å; C402-A405 CarbonylContact O-C 3.5Å; C402-A405 PolarHBondContact O-N 2.94Å; A405-H407 PolarHBondContact O-N 2.96Å; A405-H407 VanDerWaalsContact O-N 3.13Å; A405-V408 HydrophobicContact CB-CG2 3.9Å; A405-V408 PolarHBondContact O-N 3.45Å
406	P	83.4	Confident	82.7	Confident	22 Å²	22	29.3 Å²	29.3	14%	0.143	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-2.3	-175.3	32.7	-39.4	0	0	0	114.8	L51 G52	L51-P406 HydrophobicContact CD2-CB 4.36Å; L51-P406 HydrophobicContact CD2-CG 3.73Å; L51-P406 HydrophobicContact CG-CB 4.48Å; L51-P406 HydrophobicContact CG-CG 4.24Å; G52-P406 WeakPolarHBondContact CA-O 3.37Å; G52-P406 PolarHBondContact N-O 3.37Å
407	H	85.3	Confident	81.7	Confident	41 Å²	41	29.8 Å²	29.8	19%	0.19	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.5	176.6	60.1	-85.3	0	0	0	112.7	L51 F54 F385 A405	L51-H407 HydrophobicContact CD1-CB 4.44Å; F54-H407 WeakPolarHBondContact CE1-O 3.23Å; F385-H407 PolarHBondContact O-CE1 3.29Å; F385-H407 VanDerWaalsContact O-CE1 3.29Å; F385-H407 PolarHBondContact O-NE2 3.01Å; A405-H407 PolarHBondContact O-N 2.96Å; A405-H407 VanDerWaalsContact O-N 3.13Å
408	V	87.6	Confident	81.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.			trans	-90.5	133.5	-177.7	-174.5	0	0	0	0	109.7	F54 Q65 L391 S392 I394 A405 S410	F54-V408 WeakPolarHBondContact CE2-O 3.19Å; F54-V408 WeakPolarHBondContact CZ-O 3.17Å; Q65-V408 WeakPolarHBondContact CG-O 3.48Å; Q65-V408 PolarHBondContact NE2-O 3.33Å; L391-V408 HydrophobicContact CB-CG2 4.11Å; L391-V408 HydrophobicContact CD2-CG2 3.72Å; L391-V408 HydrophobicContact CG-CG1 4.26Å; L391-V408 HydrophobicContact CG-CG2 3.98Å; L391-V408 WeakPolarHBondContact O-CA 3.3Å; S392-V408 VanDerWaalsContact C-CG1 3.45Å; S392-V408 WeakPolarHBondContact O-CG1 3.39Å; I394-V408 HydrophobicContact CB-CG1 4.16Å; I394-V408 HydrophobicContact CG2-CB 4.19Å; I394-V408 HydrophobicContact CG2-CG1 3.83Å; I394-V408 HydrophobicContact CG2-CG2 4.23Å; A405-V408 HydrophobicContact CB-CG2 3.9Å; A405-V408 PolarHBondContact O-N 3.45Å; V408-S410 WeakPolarHBondContact CG1-O 3.45Å
409	R	84.4	Confident	81.2	Confident	54 Å²	54	25.6 Å²	25.6	20%	0.204	14%	0.141	C	C	.	.	S	Bend	trans	-65.8	-47.1	-177.4	-175.2	179.4	177.3	-133.8	2.2	112.7	F54 H68 A79 D80 D82 S392	F54-R409 HydrophobicContact CD1-CB 4.08Å; F54-R409 HydrophobicContact CD1-CG 4.28Å; F54-R409 HydrophobicContact CE1-CB 4.08Å; F54-R409 HydrophobicContact CG-CB 4.42Å; F54-R409 HydrophobicContact CG-CG 4.22Å; F54-R409 HydrophobicContact CZ-CB 4.43Å; H68-R409 HydrophobicContact CB-CG 4.26Å; H68-R409 PolarHBondContact CE1-NE 2.9Å; H68-R409 PolarHBondContact CE1-NH2 3.35Å; H68-R409 PolarHBondContact ND1-NE 3.39Å; A79-R409 PolarHBondContact O-NH2 3.11Å; D80-R409 PolarHBondContact O-NH2 3.08Å; D82-R409 PolarHBondContact O-NH1 2.88Å; D82-R409 PolarHBondContact O-NH2 2.99Å; S392-R409 PolarHBondContact O-N 3.07Å
410	S	86.4	Confident	81.1	Confident	3 Å²	3	26 Å²	26	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	-176.3	-174.5	0	0	0	0	110.2	S392 H393 I394 V408	S392-S410 PolarHBondContact O-N 3.03Å; H393-S410 WeakPolarHBondContact CA-O 3.37Å; I394-S410 PolarHBondContact N-O 3.29Å; V408-S410 WeakPolarHBondContact CG1-O 3.45Å
411	C	87.1	Confident	80.8	Confident	6 Å²	6	25.9 Å²	25.9	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.6	174.5	-173.6	0	0	0	0	110.3	I394 C402 N414	I394-C411 HydrophobicContact CG2-CB 3.81Å; I394-C411 VanDerWaalsContact CG2-SG 3.51Å; I394-C411 WeakPolarHBondContact O-CA 3.38Å; C402-C411 WeakPolarHBondContact CA-SG 3.43Å; C402-C411 HydrophobicContact CB-CB 3.81Å; C402-C411 WeakPolarHBondContact CB-SG 3.33Å; C402-C411 WeakPolarHBondContact SG-CB 3.27Å; C402-C411 CovalentContact SG-SG 2.03Å; C402-C411 PolarHBondContact SG-SG 3.08Å; C411-N414 PolarHBondContact O-OD1 2.81Å; C411-N414 VanDerWaalsContact O-OD1 3.1Å
412	K	83.8	Confident	80.3	Confident	55 Å²	55	28.6 Å²	28.6	24%	0.239	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.1	-178.5	-59.2	-58.2	-179.9	-171	0	111.3	C69 I394 Y395 F396 N414	C69-K412 PolarHBondContact O-NZ 3.38Å; I394-K412 PolarHBondContact O-N 3.49Å; Y395-K412 HydrophobicContact CD1-CB 3.74Å; Y395-K412 HydrophobicContact CD1-CG 4.14Å; Y395-K412 HydrophobicContact CE1-CB 4.03Å; Y395-K412 HydrophobicContact CE1-CG 3.88Å; F396-K412 PolarHBondContact N-O 3.04Å; K412-N414 WeakPolarHBondContact CD-OD1 3.36Å; K412-N414 PolarHBondContact NZ-OD1 2.8Å
413	P	80.9	Confident	80.2	Confident	45 Å²	45	29.2 Å²	29.2	29%	0.292	16%	0.161	S	C	.	.			cis	-78.6	154	-2.8	31.9	-36.7	0	0	0	113.2	F396 F399	F396-P413 WeakPolarHBondContact O-CD 3.45Å; F399-P413 WeakPolarHBondContact CA-O 3.49Å; F399-P413 HydrophobicContact CB-CG 4.27Å; F399-P413 WeakPolarHBondContact CB-O 3.45Å
414	N	72.4	Confident	80.5	Confident	37 Å²	37	27.5 Å²	27.5	20%	0.198	14%	0.143	C	C	.	.	S	Bend	trans	-79.3	-18.7	177.7	-67.9	26.1	0	0	0	113.4	C411 K412 L421	C411-N414 PolarHBondContact O-OD1 2.81Å; C411-N414 VanDerWaalsContact O-OD1 3.1Å; K412-N414 WeakPolarHBondContact CD-OD1 3.36Å; K412-N414 PolarHBondContact NZ-OD1 2.8Å; N414-L421 PolarHBondContact O-N 3.07Å
415	T	72.5	Confident	80.5	Confident	67 Å²	67	24.5 Å²	24.5	41%	0.411	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-150.4	153.9	-170.5	89.5	0	0	0	0	110.2	G417 S419	T415-G417 VanDerWaalsContact C-N 3.32Å; T415-G417 PolarHBondContact OG1-N 3.5Å; T415-S419 WeakPolarHBondContact CA-O 3.5Å; T415-S419 VanDerWaalsContact CB-O 3.28Å; T415-S419 WeakPolarHBondContact CB-O 3.42Å
416	D	72.1	Confident	80.2	Confident	48 Å²	48	26.4 Å²	26.4	26%	0.257	15%	0.147	S	C	.	.			trans	-92.1	8.3	161.7	62.8	9.7	0	0	0	112.1	F399 I418 S419 G681	F399-D416 HydrophobicContact CD1-CB 3.85Å; F399-D416 HydrophobicContact CE1-CB 3.76Å; F399-D416 WeakPolarHBondContact CE1-OD2 3.29Å; D416-I418 VanDerWaalsContact C-N 3.3Å; D416-I418 PolarHBondContact O-N 2.95Å; D416-I418 WeakPolarHBondContact OD1-CA 3.01Å; D416-I418 WeakPolarHBondContact OD1-CB 3.42Å; D416-I418 PolarHBondContact OD1-N 3.28Å; D416-S419 PolarHBondContact N-O 3.47Å; D416-S419 WeakPolarHBondContact OD1-CA 3.46Å; D416-S419 WeakPolarHBondContact OD1-CB 3.18Å; D416-S419 PolarHBondContact OD1-N 2.89Å; D416-S419 PolarHBondContact OD1-OG 3Å; D416-S419 PolarHBondContact OD2-OG 3.31Å; D416-G681 WeakPolarHBondContact O-CA 3.37Å
417	G	70.5	Confident	80.2	Confident	11 Å²	11	27.1 Å²	27.1	11%	0.113	15%	0.153	C	C	.	.	S	Bend	trans	84	-11.4	-173.2	0	0	0	0	0	115.4	T415 G681 T682	T415-G417 VanDerWaalsContact C-N 3.32Å; T415-G417 PolarHBondContact OG1-N 3.5Å; G417-G681 CarbonylContact C-O 3.39Å; G417-G681 CarbonylContact O-C 3.54Å; G417-T682 VanDerWaalsContact O-CA 3.28Å; G417-T682 WeakPolarHBondContact O-CA 3.31Å; G417-T682 PolarHBondContact O-N 2.99Å
418	I	74.3	Confident	80.3	Confident	10 Å²	10	30.9 Å²	30.9	5%	0.051	17%	0.173	C	C	.	.	S	Bend	trans	-110.1	-56.6	176.6	-54	171.8	0	0	0	109.1	D416 L425 A426 N582 V584	D416-I418 VanDerWaalsContact C-N 3.3Å; D416-I418 PolarHBondContact O-N 2.95Å; D416-I418 WeakPolarHBondContact OD1-CA 3.01Å; D416-I418 WeakPolarHBondContact OD1-CB 3.42Å; D416-I418 PolarHBondContact OD1-N 3.28Å; I418-L425 HydrophobicContact CG2-CD2 4.41Å; I418-A426 PolarHBondContact O-N 3.09Å; I418-N582 HydrophobicContact CD1-CB 4.23Å; I418-V584 HydrophobicContact CG2-CB 4.3Å; I418-V584 HydrophobicContact CG2-CG2 3.45Å; I418-V584 VanDerWaalsContact CG2-CG2 3.45Å
419	S	80.4	Confident	80.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.			trans	-97.9	153.6	-179	-23	0	0	0	0	111.3	T415 D416 L424	T415-S419 WeakPolarHBondContact CA-O 3.5Å; T415-S419 VanDerWaalsContact CB-O 3.28Å; T415-S419 WeakPolarHBondContact CB-O 3.42Å; D416-S419 PolarHBondContact N-O 3.47Å; D416-S419 WeakPolarHBondContact OD1-CA 3.46Å; D416-S419 WeakPolarHBondContact OD1-CB 3.18Å; D416-S419 PolarHBondContact OD1-N 2.89Å; D416-S419 PolarHBondContact OD1-OG 3Å; D416-S419 PolarHBondContact OD2-OG 3.31Å; S419-L424 VanDerWaalsContact CA-O 3.24Å; S419-L424 WeakPolarHBondContact CA-O 3.36Å; S419-L424 WeakPolarHBondContact CB-O 3.33Å
420	S	78.4	Confident	80.4	Confident	18 Å²	18	33 Å²	33	13%	0.126	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-120.1	166	172.1	58.3	0	0	0	0	109.6	E422 N423 Y494	S420-E422 PolarHBondContact O-N 2.86Å; S420-E422 VanDerWaalsContact O-N 3.16Å; S420-N423 PolarHBondContact N-O 2.71Å; S420-N423 PolarHBondContact O-N 3.41Å; S420-N423 WeakPolarHBondContact OG-CB 3.28Å; S420-N423 PolarHBondContact OG-N 3.19Å; S420-N423 PolarHBondContact OG-O 3.38Å; S420-Y494 WeakPolarHBondContact O-CD1 3.32Å
421	L	72.4	Confident	80.7	Confident	19 Å²	19	34.3 Å²	34.3	10%	0.099	19%	0.192	C	C	.	.	S	Bend	trans	-53.3	-34.2	173.7	-72.3	162.7	0	0	0	113.2	L66 F399 C402 N414 N495	L66-L421 HydrophobicContact CB-CD1 4.19Å; F399-L421 HydrophobicContact CD2-CD2 4.11Å; C402-L421 HydrophobicContact CB-CD2 3.95Å; N414-L421 PolarHBondContact O-N 3.07Å; L421-N495 HydrophobicContact CD2-CB 4.07Å; L421-N495 WeakPolarHBondContact O-CB 3.35Å; L421-N495 PolarHBondContact O-N 3.45Å
422	E	74.8	Confident	80.9	Confident	65 Å²	65	38.2 Å²	38.2	30%	0.304	22%	0.215	S	C	.	.	S	Bend	trans	-88.9	-37	179.7	-71	-168.5	157	0	0	114.9	L66 S420 G492 E493 Y494	L66-E422 HydrophobicContact CD1-CG 3.81Å; L66-E422 VanDerWaalsContact CD1-OE1 3.29Å; L66-E422 WeakPolarHBondContact CD1-OE1 3.4Å; L66-E422 HydrophobicContact CD2-CG 3.58Å; L66-E422 HydrophobicContact CG-CG 4.3Å; S420-E422 PolarHBondContact O-N 2.86Å; S420-E422 VanDerWaalsContact O-N 3.16Å; E422-G492 CarbonylContact O-C 3.5Å; E422-G492 WeakPolarHBondContact O-CA 3.47Å; E422-G492 PolarHBondContact O-N 2.75Å; E422-E493 PolarHBondContact O-N 3.02Å; E422-Y494 VanDerWaalsContact O-CB 3.32Å; E422-Y494 WeakPolarHBondContact O-CB 3.33Å; E422-Y494 PolarHBondContact O-N 3.38Å
423	N	84.6	Confident	81.2	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.07	22%	0.219	C	C	.	.			trans	-134.9	139.8	-163.3	-53.4	-88.9	0	0	0	111.5	S420 L425 R431 R491	S420-N423 PolarHBondContact N-O 2.71Å; S420-N423 PolarHBondContact O-N 3.41Å; S420-N423 WeakPolarHBondContact OG-CB 3.28Å; S420-N423 PolarHBondContact OG-N 3.19Å; S420-N423 PolarHBondContact OG-O 3.38Å; N423-L425 VanDerWaalsContact C-N 3.26Å; N423-L425 PolarHBondContact O-N 2.89Å; N423-R431 PolarHBondContact ND2-NH2 3.48Å; N423-R431 PolarHBondContact OD1-NH1 3.2Å; N423-R431 PolarHBondContact OD1-NH2 3.08Å; N423-R491 WeakPolarHBondContact OD1-CG 3.43Å
424	L	85.7	Confident	81.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-57	-39.9	175.8	-177.3	71.4	0	0	0	111.8	S419 I483 F486 D487 Y494 G583	S419-L424 VanDerWaalsContact CA-O 3.24Å; S419-L424 WeakPolarHBondContact CA-O 3.36Å; S419-L424 WeakPolarHBondContact CB-O 3.33Å; L424-I483 HydrophobicContact CD2-CG2 4.19Å; L424-F486 HydrophobicContact CD2-CB 4.26Å; L424-D487 HydrophobicContact CB-CB 4.1Å; L424-D487 HydrophobicContact CD2-CB 4.09Å; L424-Y494 HydrophobicContact CB-CD2 4.25Å; L424-Y494 HydrophobicContact CB-CE2 4.35Å; L424-Y494 HydrophobicContact CD1-CD2 4.15Å; L424-Y494 HydrophobicContact CD1-CE1 4.23Å; L424-Y494 HydrophobicContact CD1-CE2 3.41Å; L424-Y494 VanDerWaalsContact CD1-CE2 3.41Å; L424-Y494 VanDerWaalsContact CD1-CZ 3.46Å; L424-Y494 WeakPolarHBondContact CD1-OH 3.29Å; L424-G583 WeakPolarHBondContact CD1-O 3.49Å
425	L	85.6	Confident	82.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-113.4	109.9	172.7	-61.2	179	0	0	0	109.5	I418 N423 S427 R431 V434 I483 D487 V584 I689	I418-L425 HydrophobicContact CG2-CD2 4.41Å; N423-L425 VanDerWaalsContact C-N 3.26Å; N423-L425 PolarHBondContact O-N 2.89Å; L425-S427 PolarHBondContact O-N 3.29Å; L425-R431 HydrophobicContact CB-CG 3.82Å; L425-R431 HydrophobicContact CD1-CG 4.23Å; L425-R431 PolarHBondContact O-NE 3.46Å; L425-R431 PolarHBondContact O-NH2 2.89Å; L425-V434 HydrophobicContact CD1-CG2 3.8Å; L425-I483 HydrophobicContact CD1-CG2 4.49Å; L425-D487 HydrophobicContact CD1-CB 4.44Å; L425-D487 HydrophobicContact CG-CB 4.46Å; L425-D487 PolarHBondContact N-OD1 2.98Å; L425-V584 HydrophobicContact CD2-CG2 3.78Å; L425-I689 HydrophobicContact CD2-CD1 3.46Å; L425-I689 VanDerWaalsContact CD2-CD1 3.46Å
426	A	81.2	Confident	83.8	Confident	41 Å²	41	39.7 Å²	39.7	34%	0.339	21%	0.214	S	C	.	.			trans	-58.8	-46.7	-177.2	0	0	0	0	0	111.8	I418 R431	I418-A426 PolarHBondContact O-N 3.09Å; A426-R431 PolarHBondContact O-NH2 2.91Å
427	S	84.1	Confident	84.8	Confident	37 Å²	37	38 Å²	38	26%	0.259	21%	0.205	S	C	.	.			trans	-83.6	128.4	-174.7	-177.9	0	0	0	0	113.7	L425 I429 Q430 R431	L425-S427 PolarHBondContact O-N 3.29Å; S427-I429 PolarHBondContact O-N 3.32Å; S427-I429 PolarHBondContact OG-N 3.04Å; S427-Q430 PolarHBondContact O-N 2.84Å; S427-R431 PolarHBondContact O-N 3Å
428	I	86.4	Confident	85.9	Confident	120 Å²	120	37.5 Å²	37.5	62%	0.615	20%	0.2	S	C	*	.	H	α-helix	trans	-60.7	-29.9	172	-166.2	158.8	0	0	0	112.6	R431 V432	I428-R431 PolarHBondContact O-N 3.14Å; I428-V432 WeakPolarHBondContact O-CG2 3.45Å; I428-V432 PolarHBondContact O-N 3.36Å; I428-V432 VanDerWaalsContact O-N 3.14Å
429	I	88.5	Confident	86.8	Confident	89 Å²	89	38.8 Å²	38.8	46%	0.456	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-46.2	177.2	-60.9	173.9	0	0	0	109.6	S427 R431 V432 F433 W686	S427-I429 PolarHBondContact O-N 3.32Å; S427-I429 PolarHBondContact OG-N 3.04Å; I429-R431 PolarHBondContact O-N 3.32Å; I429-V432 PolarHBondContact O-N 3.26Å; I429-F433 HydrophobicContact CG2-CD2 3.64Å; I429-F433 HydrophobicContact CG2-CE2 3.57Å; I429-F433 VanDerWaalsContact O-CD2 3.26Å; I429-F433 WeakPolarHBondContact O-CD2 3.21Å; I429-F433 PolarHBondContact O-N 3.27Å; I429-W686 HydrophobicContact CG2-CH2 3.81Å; I429-W686 HydrophobicContact CG2-CZ2 4.49Å
430	Q	87.3	Confident	87.4	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-42.1	177.4	-69.6	170.5	-20.6	0	0	111.6	S427 V432 F433 V434 S685 I689	S427-Q430 PolarHBondContact O-N 2.84Å; Q430-V432 PolarHBondContact O-N 2.99Å; Q430-F433 PolarHBondContact O-N 3.47Å; Q430-V434 WeakPolarHBondContact O-CG2 3.24Å; Q430-V434 PolarHBondContact O-N 3.05Å; Q430-S685 PolarHBondContact NE2-OG 2.94Å; Q430-S685 PolarHBondContact OE1-OG 2.9Å; Q430-I689 HydrophobicContact CB-CD1 4.35Å; Q430-I689 HydrophobicContact CB-CG2 4.49Å; Q430-I689 HydrophobicContact CG-CD1 4.49Å
431	R	90.8	Very high	88.1	Confident	31 Å²	31	41.5 Å²	41.5	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-45.9	176	-62.4	177.9	-150.7	-171.1	16.5	112	N423 L425 A426 S427 I428 I429 V434 W435 D487	N423-R431 PolarHBondContact ND2-NH2 3.48Å; N423-R431 PolarHBondContact OD1-NH1 3.2Å; N423-R431 PolarHBondContact OD1-NH2 3.08Å; L425-R431 HydrophobicContact CB-CG 3.82Å; L425-R431 HydrophobicContact CD1-CG 4.23Å; L425-R431 PolarHBondContact O-NE 3.46Å; L425-R431 PolarHBondContact O-NH2 2.89Å; A426-R431 PolarHBondContact O-NH2 2.91Å; S427-R431 PolarHBondContact O-N 3Å; I428-R431 PolarHBondContact O-N 3.14Å; I429-R431 PolarHBondContact O-N 3.32Å; R431-V434 PolarHBondContact O-N 3.11Å; R431-W435 VanDerWaalsContact O-CD1 3.24Å; R431-D487 VanDerWaalsContact CD-OD2 3.25Å; R431-D487 WeakPolarHBondContact CD-OD2 3.42Å; R431-D487 WeakPolarHBondContact CG-OD2 3.41Å; R431-D487 IonicContact NE-OD2 2.66Å
432	V	91.7	Very high	89.1	Confident	89 Å²	89	41.6 Å²	41.6	54%	0.539	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-44.8	176.3	174.9	0	0	0	0	110.9	I428 I429 Q430 V434 W435 V436	I428-V432 WeakPolarHBondContact O-CG2 3.45Å; I428-V432 PolarHBondContact O-N 3.36Å; I428-V432 VanDerWaalsContact O-N 3.14Å; I429-V432 PolarHBondContact O-N 3.26Å; Q430-V432 PolarHBondContact O-N 2.99Å; V432-V434 PolarHBondContact O-N 3.46Å; V432-W435 PolarHBondContact O-N 3.37Å; V432-V436 HydrophobicContact CG1-CG2 4.31Å; V432-V436 WeakPolarHBondContact O-CG2 3.29Å; V432-V436 PolarHBondContact O-N 3.24Å; V432-V436 VanDerWaalsContact O-N 3.11Å
433	F	90.1	Very high	90	Very high	73 Å²	73	45.8 Å²	45.8	32%	0.32	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-39.2	178.8	-85.3	-67.1	0	0	0	113.5	I429 Q430 W435 V436 V437 F690	I429-F433 HydrophobicContact CG2-CD2 3.64Å; I429-F433 HydrophobicContact CG2-CE2 3.57Å; I429-F433 VanDerWaalsContact O-CD2 3.26Å; I429-F433 WeakPolarHBondContact O-CD2 3.21Å; I429-F433 PolarHBondContact O-N 3.27Å; Q430-F433 PolarHBondContact O-N 3.47Å; F433-W435 VanDerWaalsContact C-N 3.32Å; F433-W435 PolarHBondContact O-N 3.22Å; F433-V436 PolarHBondContact O-N 3.23Å; F433-V437 HydrophobicContact CD1-CG2 4.39Å; F433-V437 WeakPolarHBondContact O-CB 3.22Å; F433-V437 VanDerWaalsContact O-CG2 3.3Å; F433-V437 WeakPolarHBondContact O-CG2 3.42Å; F433-V437 PolarHBondContact O-N 2.82Å; F433-F690 HydrophobicContact CD1-CD2 4.09Å; F433-F690 AromaticContact CD1-CE2 3.99Å; F433-F690 HydrophobicContact CD1-CE2 3.99Å; F433-F690 HydrophobicContact CE1-CD2 4.33Å; F433-F690 AromaticContact CE1-CE2 3.78Å; F433-F690 HydrophobicContact CE1-CE2 3.78Å; F433-F690 HydrophobicContact CG-CD2 4.27Å; F433-F690 HydrophobicContact CZ-CE2 4.11Å
434	V	93.3	Very high	90.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.1	-47	177	166.6	0	0	0	0	111.4	L425 Q430 R431 V432 S438 L480 I689	L425-V434 HydrophobicContact CD1-CG2 3.8Å; Q430-V434 WeakPolarHBondContact O-CG2 3.24Å; Q430-V434 PolarHBondContact O-N 3.05Å; R431-V434 PolarHBondContact O-N 3.11Å; V432-V434 PolarHBondContact O-N 3.46Å; V434-S438 WeakPolarHBondContact O-CB 3.41Å; V434-S438 PolarHBondContact O-N 2.98Å; V434-S438 PolarHBondContact O-OG 3.09Å; V434-L480 HydrophobicContact CG1-CB 4.42Å; V434-L480 WeakPolarHBondContact CG1-O 3.07Å; V434-I689 HydrophobicContact CG2-CG2 3.56Å
435	W	94	Very high	90.6	Very high	84 Å²	84	46.1 Å²	46.1	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-69.2	-41.5	178.5	-71.4	107.3	0	0	0	113	R431 V432 F433 S438 A439 F481 G484 L488	R431-W435 VanDerWaalsContact O-CD1 3.24Å; V432-W435 PolarHBondContact O-N 3.37Å; F433-W435 VanDerWaalsContact C-N 3.32Å; F433-W435 PolarHBondContact O-N 3.22Å; W435-S438 WeakPolarHBondContact CA-OG 3.3Å; W435-S438 PolarHBondContact O-OG 2.76Å; W435-S438 VanDerWaalsContact O-OG 3.11Å; W435-A439 VanDerWaalsContact O-CB 3.26Å; W435-A439 WeakPolarHBondContact O-CB 3.33Å; W435-A439 PolarHBondContact O-N 2.99Å; W435-A439 VanDerWaalsContact O-N 3.12Å; W435-F481 HydrophobicContact CE3-CD2 4.4Å; W435-F481 HydrophobicContact CE3-CE2 4.38Å; W435-F481 HydrophobicContact CH2-CE2 4.49Å; W435-F481 AromaticContact CZ3-CD2 3.8Å; W435-F481 HydrophobicContact CZ3-CD2 3.8Å; W435-F481 AromaticContact CZ3-CE2 3.59Å; W435-F481 HydrophobicContact CZ3-CE2 3.59Å; W435-F481 HydrophobicContact CZ3-CG 4.4Å; W435-F481 HydrophobicContact CZ3-CZ 4Å; W435-G484 VanDerWaalsContact CZ2-C 3.43Å; W435-G484 WeakPolarHBondContact CZ2-O 3.21Å; W435-L488 HydrophobicContact CH2-CD1 4.35Å; W435-L488 HydrophobicContact CZ2-CD1 3.57Å; W435-L488 HydrophobicContact CZ2-CG 4.19Å
436	V	93.5	Very high	90.9	Very high	77 Å²	77	49.9 Å²	49.9	47%	0.467	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-48	179	172.6	0	0	0	0	111.1	V432 F433 A439 V440	V432-V436 HydrophobicContact CG1-CG2 4.31Å; V432-V436 WeakPolarHBondContact O-CG2 3.29Å; V432-V436 PolarHBondContact O-N 3.24Å; V432-V436 VanDerWaalsContact O-N 3.11Å; F433-V436 PolarHBondContact O-N 3.23Å; V436-A439 PolarHBondContact O-N 2.89Å; V436-V440 VanDerWaalsContact O-CG2 3.3Å; V436-V440 WeakPolarHBondContact O-CG2 3.34Å; V436-V440 PolarHBondContact O-N 2.96Å
437	V	92.6	Very high	91.3	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-41.6	-177.2	179.8	0	0	0	0	111.2	F433 A439 V440 T441 L480 P693	F433-V437 HydrophobicContact CD1-CG2 4.39Å; F433-V437 WeakPolarHBondContact O-CB 3.22Å; F433-V437 VanDerWaalsContact O-CG2 3.3Å; F433-V437 WeakPolarHBondContact O-CG2 3.42Å; F433-V437 PolarHBondContact O-N 2.82Å; V437-A439 PolarHBondContact O-N 2.03Å; V437-V440 PolarHBondContact O-N 3.35Å; V437-T441 VanDerWaalsContact O-CB 3.26Å; V437-T441 WeakPolarHBondContact O-CB 3.36Å; V437-T441 PolarHBondContact O-N 3.37Å; V437-T441 PolarHBondContact O-OG1 3.02Å; V437-L480 HydrophobicContact CB-CD1 4.18Å; V437-L480 HydrophobicContact CG1-CD1 3.84Å; V437-P693 HydrophobicContact CG1-CB 3.84Å
438	S	94.1	Very high	91.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-45.2	173.7	57.4	0	0	0	0	112	V434 W435 T441 C442	V434-S438 WeakPolarHBondContact O-CB 3.41Å; V434-S438 PolarHBondContact O-N 2.98Å; V434-S438 PolarHBondContact O-OG 3.09Å; W435-S438 WeakPolarHBondContact CA-OG 3.3Å; W435-S438 PolarHBondContact O-OG 2.76Å; W435-S438 VanDerWaalsContact O-OG 3.11Å; S438-T441 PolarHBondContact O-N 3.4Å; S438-C442 WeakPolarHBondContact O-CB 3.29Å; S438-C442 PolarHBondContact O-N 2.9Å; S438-C442 PolarHBondContact O-SG 3.06Å
439	A	93.8	Very high	91.7	Very high	37 Å²	37	46.6 Å²	46.6	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-49.5	177.5	0	0	0	0	0	112	W435 V436 V437 T441 C442 F443	W435-A439 VanDerWaalsContact O-CB 3.26Å; W435-A439 WeakPolarHBondContact O-CB 3.33Å; W435-A439 PolarHBondContact O-N 2.99Å; W435-A439 VanDerWaalsContact O-N 3.12Å; V436-A439 PolarHBondContact O-N 2.89Å; V437-A439 PolarHBondContact O-N 2.03Å; A439-T441 PolarHBondContact O-N 3.46Å; A439-C442 PolarHBondContact O-N 2.93Å; A439-F443 HydrophobicContact CB-CD2 4.2Å; A439-F443 HydrophobicContact CB-CE2 4.3Å; A439-F443 WeakPolarHBondContact O-CB 3.29Å; A439-F443 WeakPolarHBondContact O-CD2 3.48Å; A439-F443 PolarHBondContact O-N 2.8Å
440	V	92.9	Very high	91.6	Very high	74 Å²	74	45.8 Å²	45.8	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-43.9	179	171.8	0	0	0	0	111.3	V436 V437 G444 A697	V436-V440 VanDerWaalsContact O-CG2 3.3Å; V436-V440 WeakPolarHBondContact O-CG2 3.34Å; V436-V440 PolarHBondContact O-N 2.96Å; V437-V440 PolarHBondContact O-N 3.35Å; V440-G444 WeakPolarHBondContact O-CA 3.47Å; V440-G444 PolarHBondContact O-N 2.97Å; V440-A697 HydrophobicContact CG1-CB 4.13Å
441	T	93.1	Very high	91.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-47.8	178.8	-63.8	0	0	0	0	111.7	V437 S438 A439 N445 D473 A697	V437-T441 VanDerWaalsContact O-CB 3.26Å; V437-T441 WeakPolarHBondContact O-CB 3.36Å; V437-T441 PolarHBondContact O-N 3.37Å; V437-T441 PolarHBondContact O-OG1 3.02Å; S438-T441 PolarHBondContact O-N 3.4Å; A439-T441 PolarHBondContact O-N 3.46Å; T441-N445 VanDerWaalsContact O-CB 3.31Å; T441-N445 WeakPolarHBondContact O-CB 3.32Å; T441-N445 PolarHBondContact O-N 3.01Å; T441-N445 VanDerWaalsContact O-N 3.12Å; T441-N445 PolarHBondContact O-ND2 3.13Å; T441-D473 VanDerWaalsContact CG2-O 3.25Å; T441-D473 WeakPolarHBondContact CG2-O 3.43Å; T441-A697 WeakPolarHBondContact OG1-CA 3.42Å; T441-A697 WeakPolarHBondContact OG1-CB 3.42Å; T441-A697 PolarHBondContact OG1-N 3.44Å
442	C	93.4	Very high	90.9	Very high	22 Å²	22	47.4 Å²	47.4	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-56.8	178	-74.5	0	0	0	0	111.9	S438 A439 G444 N445 I446 G477	S438-C442 WeakPolarHBondContact O-CB 3.29Å; S438-C442 PolarHBondContact O-N 2.9Å; S438-C442 PolarHBondContact O-SG 3.06Å; A439-C442 PolarHBondContact O-N 2.93Å; C442-G444 PolarHBondContact O-N 3.48Å; C442-N445 PolarHBondContact O-N 3.19Å; C442-I446 VanDerWaalsContact O-CB 3.32Å; C442-I446 WeakPolarHBondContact O-CB 3.47Å; C442-I446 WeakPolarHBondContact O-CD1 3.49Å; C442-I446 WeakPolarHBondContact O-CG1 3.43Å; C442-I446 PolarHBondContact O-N 3.27Å; C442-G477 VanDerWaalsContact SG-C 3.51Å; C442-G477 VanDerWaalsContact SG-CA 3.58Å
443	F	93.3	Very high	90.4	Very high	152 Å²	152	47.3 Å²	47.3	67%	0.667	26%	0.256	S	S	*	.	H	α-helix	trans	-65.7	-38.7	-176.8	-69.8	-60.3	0	0	0	112.4	A439 F447	A439-F443 HydrophobicContact CB-CD2 4.2Å; A439-F443 HydrophobicContact CB-CE2 4.3Å; A439-F443 WeakPolarHBondContact O-CB 3.29Å; A439-F443 WeakPolarHBondContact O-CD2 3.48Å; A439-F443 PolarHBondContact O-N 2.8Å; F443-F447 WeakPolarHBondContact O-CB 3.3Å; F443-F447 PolarHBondContact O-N 2.84Å
444	G	90.8	Very high	89.8	Confident	20 Å²	20	52.7 Å²	52.7	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-45.7	178	0	0	0	0	0	112.7	V440 C442 V448	V440-G444 WeakPolarHBondContact O-CA 3.47Å; V440-G444 PolarHBondContact O-N 2.97Å; C442-G444 PolarHBondContact O-N 3.48Å; G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 2.72Å
445	N	92.1	Very high	88.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-73.7	-40.7	179.1	-74.7	-69	0	0	0	112.4	T441 C442 F447 V448 I449 C470 S696 P700	T441-N445 VanDerWaalsContact O-CB 3.31Å; T441-N445 WeakPolarHBondContact O-CB 3.32Å; T441-N445 PolarHBondContact O-N 3.01Å; T441-N445 VanDerWaalsContact O-N 3.12Å; T441-N445 PolarHBondContact O-ND2 3.13Å; C442-N445 PolarHBondContact O-N 3.19Å; N445-F447 VanDerWaalsContact C-N 3.35Å; N445-F447 PolarHBondContact O-N 3.03Å; N445-V448 PolarHBondContact O-N 2.89Å; N445-I449 VanDerWaalsContact O-CG1 3.27Å; N445-I449 WeakPolarHBondContact O-CG1 3.26Å; N445-I449 PolarHBondContact O-N 2.98Å; N445-C470 HydrophobicContact CB-CB 3.98Å; N445-C470 WeakPolarHBondContact OD1-CA 3.18Å; N445-C470 WeakPolarHBondContact OD1-CB 3.27Å; N445-C470 PolarHBondContact OD1-SG 2.94Å; N445-S696 PolarHBondContact ND2-O 3.21Å; N445-P700 HydrophobicContact CB-CG 4.49Å; N445-P700 WeakPolarHBondContact OD1-CG 3.44Å
446	I	92.6	Very high	87.2	Confident	80 Å²	80	61.8 Å²	61.8	41%	0.41	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-45.4	173.3	-69	166.8	0	0	0	110.7	C442 V448 I449 C450	C442-I446 VanDerWaalsContact O-CB 3.32Å; C442-I446 WeakPolarHBondContact O-CB 3.47Å; C442-I446 WeakPolarHBondContact O-CD1 3.49Å; C442-I446 WeakPolarHBondContact O-CG1 3.43Å; C442-I446 PolarHBondContact O-N 3.27Å; I446-V448 VanDerWaalsContact C-N 3.3Å; I446-V448 PolarHBondContact O-N 3.24Å; I446-I449 PolarHBondContact O-N 2.9Å; I446-C450 PolarHBondContact O-N 3.03Å; I446-C450 PolarHBondContact O-SG 3.26Å; I446-C450 VanDerWaalsContact O-SG 3.4Å
447	F	89.7	Confident	85.4	Confident	82 Å²	82	62.4 Å²	62.4	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-56.8	-43.9	176.2	175.5	-92	0	0	0	111.9	F443 N445 M451 L705 F710	F443-F447 WeakPolarHBondContact O-CB 3.3Å; F443-F447 PolarHBondContact O-N 2.84Å; N445-F447 VanDerWaalsContact C-N 3.35Å; N445-F447 PolarHBondContact O-N 3.03Å; F447-M451 HydrophobicContact CD1-CG 4.32Å; F447-M451 HydrophobicContact CD2-CE 4.49Å; F447-M451 HydrophobicContact CD2-CG 4.09Å; F447-M451 HydrophobicContact CE1-CB 4.44Å; F447-M451 HydrophobicContact CE1-CG 3.97Å; F447-M451 HydrophobicContact CE2-CE 3.88Å; F447-M451 HydrophobicContact CE2-CG 3.75Å; F447-M451 HydrophobicContact CE2-SD 4.41Å; F447-M451 HydrophobicContact CG-CG 4.37Å; F447-M451 HydrophobicContact CZ-CE 4.43Å; F447-M451 HydrophobicContact CZ-CG 3.68Å; F447-M451 HydrophobicContact CZ-SD 4.42Å; F447-M451 VanDerWaalsContact O-CB 3.26Å; F447-M451 WeakPolarHBondContact O-CB 3.49Å; F447-M451 VanDerWaalsContact O-CG 3.26Å; F447-M451 WeakPolarHBondContact O-CG 3.28Å; F447-M451 PolarHBondContact O-N 3.02Å; F447-L705 HydrophobicContact CD1-CD2 4.12Å; F447-L705 HydrophobicContact CE1-CD2 3.58Å; F447-F710 AromaticContact CE1-CE2 3.87Å; F447-F710 HydrophobicContact CE1-CE2 3.87Å; F447-F710 AromaticContact CE1-CZ 3.79Å; F447-F710 HydrophobicContact CE1-CZ 3.79Å; F447-F710 AromaticContact CZ-CE2 3.97Å; F447-F710 HydrophobicContact CZ-CE2 3.97Å; F447-F710 AromaticContact CZ-CZ 3.87Å; F447-F710 HydrophobicContact CZ-CZ 3.87Å
448	V	87.8	Confident	83.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-45	177.1	170.5	0	0	0	0	111.7	G444 N445 I446 C450 M451 R452 C470 P700 T704	G444-V448 WeakPolarHBondContact O-CG2 3.48Å; G444-V448 PolarHBondContact O-N 2.72Å; N445-V448 PolarHBondContact O-N 2.89Å; I446-V448 VanDerWaalsContact C-N 3.3Å; I446-V448 PolarHBondContact O-N 3.24Å; V448-C450 VanDerWaalsContact C-N 3.29Å; V448-C450 PolarHBondContact O-N 3.35Å; V448-M451 PolarHBondContact O-N 2.91Å; V448-R452 VanDerWaalsContact O-CB 3.23Å; V448-R452 WeakPolarHBondContact O-CB 3.28Å; V448-R452 PolarHBondContact O-N 3.24Å; V448-C470 VanDerWaalsContact CG1-SG 3.58Å; V448-P700 HydrophobicContact CG2-CB 3.78Å; V448-T704 HydrophobicContact CG1-CG2 4.28Å; V448-T704 VanDerWaalsContact CG1-OG1 3.23Å; V448-T704 WeakPolarHBondContact CG1-OG1 3.31Å; V448-T704 HydrophobicContact CG2-CG2 4.06Å
449	I	89.8	Confident	82.8	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-56.7	-44.9	177	-68.6	162.4	0	0	0	110.6	N445 I446 P453 I467 C470	N445-I449 VanDerWaalsContact O-CG1 3.27Å; N445-I449 WeakPolarHBondContact O-CG1 3.26Å; N445-I449 PolarHBondContact O-N 2.98Å; I446-I449 PolarHBondContact O-N 2.9Å; I449-P453 WeakPolarHBondContact O-CD 3.44Å; I449-I467 HydrophobicContact CG1-CG2 4.41Å; I449-I467 HydrophobicContact CG2-CG2 4.37Å; I449-C470 HydrophobicContact CD1-CB 3.89Å; I449-C470 HydrophobicContact CG1-CB 3.62Å
450	C	87.9	Confident	82	Confident	72 Å²	72	75.5 Å²	75.5	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-70.4	-42.8	178.4	-67.4	0	0	0	0	113	I446 V448 Y454	I446-C450 PolarHBondContact O-N 3.03Å; I446-C450 PolarHBondContact O-SG 3.26Å; I446-C450 VanDerWaalsContact O-SG 3.4Å; V448-C450 VanDerWaalsContact C-N 3.29Å; V448-C450 PolarHBondContact O-N 3.35Å; C450-Y454 WeakPolarHBondContact O-CD2 3.42Å; C450-Y454 WeakPolarHBondContact O-CE2 3.31Å
451	M	82.6	Confident	81.3	Confident	69 Å²	69	74.3 Å²	74.3	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-80.9	-35.9	-172.4	-73	-76	166.4	0	0	113.8	F447 V448 P453 Y454 M713	F447-M451 HydrophobicContact CD1-CG 4.32Å; F447-M451 HydrophobicContact CD2-CE 4.49Å; F447-M451 HydrophobicContact CD2-CG 4.09Å; F447-M451 HydrophobicContact CE1-CB 4.44Å; F447-M451 HydrophobicContact CE1-CG 3.97Å; F447-M451 HydrophobicContact CE2-CE 3.88Å; F447-M451 HydrophobicContact CE2-CG 3.75Å; F447-M451 HydrophobicContact CE2-SD 4.41Å; F447-M451 HydrophobicContact CG-CG 4.37Å; F447-M451 HydrophobicContact CZ-CE 4.43Å; F447-M451 HydrophobicContact CZ-CG 3.68Å; F447-M451 HydrophobicContact CZ-SD 4.42Å; F447-M451 VanDerWaalsContact O-CB 3.26Å; F447-M451 WeakPolarHBondContact O-CB 3.49Å; F447-M451 VanDerWaalsContact O-CG 3.26Å; F447-M451 WeakPolarHBondContact O-CG 3.28Å; F447-M451 PolarHBondContact O-N 3.02Å; V448-M451 PolarHBondContact O-N 2.91Å; M451-P453 VanDerWaalsContact C-CD 3.5Å; M451-Y454 PolarHBondContact O-N 3.12Å; M451-Y454 VanDerWaalsContact O-N 3.11Å; M451-M713 HydrophobicContact SD-CE 4.45Å
452	R	79.8	Confident	80.6	Confident	5 Å²	5	75.7 Å²	75.7	2%	0.019	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-58.6	-39.3	-171.9	-154.6	73.8	176.9	-84.9	-6.2	114.2	V448 Y454 I455 E458 A463 I467 T704	V448-R452 VanDerWaalsContact O-CB 3.23Å; V448-R452 WeakPolarHBondContact O-CB 3.28Å; V448-R452 PolarHBondContact O-N 3.24Å; R452-Y454 PolarHBondContact O-N 2.88Å; R452-I455 PolarHBondContact O-N 3.38Å; R452-E458 IonicContact CZ-OE2 3.86Å; R452-E458 IonicContact NE-OE2 3.51Å; R452-E458 PolarHBondContact NE-OE2 2.94Å; R452-E458 IonicContact NH2-OE1 2.64Å; R452-E458 IonicContact NH2-OE2 3.58Å; R452-E458 PolarHBondContact NH2-OE2 3.27Å; R452-A463 HydrophobicContact CG-CB 4.22Å; R452-I467 HydrophobicContact CB-CD1 4.31Å; R452-I467 HydrophobicContact CB-CG1 4.24Å; R452-T704 PolarHBondContact NH1-OG1 2.97Å; R452-T704 VanDerWaalsContact NH1-OG1 3.12Å
453	P	81.7	Confident	80.1	Confident	87 Å²	87	75.3 Å²	75.3	57%	0.565	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-60.7	-25.9	176.4	-26.4	36.3	0	0	0	115.2	I449 M451 I467	I449-P453 WeakPolarHBondContact O-CD 3.44Å; M451-P453 VanDerWaalsContact C-CD 3.5Å; P453-I467 HydrophobicContact CG-CD1 4.06Å
454	Y	77.7	Confident	79.7	Confident	186 Å²	186	73.4 Å²	73.4	73%	0.729	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-84.6	-13.1	-178.6	-62.1	-79.2	0	0	0	113.7	C450 M451 R452 R456	C450-Y454 WeakPolarHBondContact O-CD2 3.42Å; C450-Y454 WeakPolarHBondContact O-CE2 3.31Å; M451-Y454 PolarHBondContact O-N 3.12Å; M451-Y454 VanDerWaalsContact O-N 3.11Å; R452-Y454 PolarHBondContact O-N 2.88Å; Y454-R456 PolarHBondContact O-N 2.85Å
455	I	74.1	Confident	79.5	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.082	35%	0.352	C	S	.	.			trans	-76.4	94.1	-179.5	-55.8	-178	0	0	0	109.4	R452 S457 E458 P709 F710 M713	R452-I455 PolarHBondContact O-N 3.38Å; I455-S457 PolarHBondContact O-N 3.5Å; I455-E458 HydrophobicContact CG2-CG 4.35Å; I455-P709 HydrophobicContact CG2-CB 4.13Å; I455-F710 HydrophobicContact CD1-CD2 4.34Å; I455-M713 HydrophobicContact CG1-SD 4.15Å
456	R	57.1	Low	79.3	Confident	258 Å²	258	72.5 Å²	72.5	97%	0.974	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-0.3	-167.3	-155.7	169.9	-177.1	159.5	-0.5	116.2	Y454	Y454-R456 PolarHBondContact O-N 2.85Å
457	S	55.8	Low	79.1	Confident	90 Å²	90	70 Å²	70	63%	0.629	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	0.7	-167.1	65.8	0	0	0	0	116.6	I455	I455-S457 PolarHBondContact O-N 3.5Å
458	E	62.6	Low	79.2	Confident	51 Å²	51	66.8 Å²	66.8	24%	0.238	33%	0.328	C	S	.	.	S	Bend	trans	-98.1	155.5	179.4	-68.9	-158.3	143.1	0	0	113.9	R452 I455 K460	R452-E458 IonicContact CZ-OE2 3.86Å; R452-E458 IonicContact NE-OE2 3.51Å; R452-E458 PolarHBondContact NE-OE2 2.94Å; R452-E458 IonicContact NH2-OE1 2.64Å; R452-E458 IonicContact NH2-OE2 3.58Å; R452-E458 PolarHBondContact NH2-OE2 3.27Å; I455-E458 HydrophobicContact CG2-CG 4.35Å; E458-K460 PolarHBondContact O-N 3.32Å
459	N	70.7	Confident	79.4	Confident	93 Å²	93	66.8 Å²	66.8	50%	0.497	33%	0.328	S	S	.	.			trans	-58.7	110.6	174.1	-72.5	-68.3	0	0	0	109.9	L461 Y462 A463 R544	N459-L461 PolarHBondContact O-N 3.08Å; N459-Y462 PolarHBondContact O-N 2.9Å; N459-A463 PolarHBondContact O-N 2.73Å; N459-A463 VanDerWaalsContact O-N 3.09Å; N459-R544 PolarHBondContact OD1-NH2 3.36Å
460	K	76.8	Confident	79.5	Confident	182 Å²	182	64.7 Å²	64.7	79%	0.791	32%	0.317	S	S	*	.	H	α-helix	trans	-50	-37.5	-176.1	-67.4	-175.6	177.9	-179.2	0	113.7	E458 A463 M464	E458-K460 PolarHBondContact O-N 3.32Å; K460-A463 PolarHBondContact O-N 3.45Å; K460-M464 WeakPolarHBondContact O-CG 3.36Å; K460-M464 PolarHBondContact O-N 3.08Å; K460-M464 VanDerWaalsContact O-N 3.09Å
461	L	77.4	Confident	79.8	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-45.2	177.9	-58.3	-177.9	0	0	0	112.9	N459 A463 M464 S465 P545 K547	N459-L461 PolarHBondContact O-N 3.08Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 2.96Å; L461-M464 PolarHBondContact O-N 3.17Å; L461-S465 PolarHBondContact O-N 3.06Å; L461-S465 VanDerWaalsContact O-N 3.17Å; L461-S465 PolarHBondContact O-OG 2.7Å; L461-P545 WeakPolarHBondContact CD1-O 3.2Å; L461-K547 HydrophobicContact CD2-CB 3.8Å; L461-K547 HydrophobicContact CD2-CG 3.75Å
462	Y	78.9	Confident	80.4	Confident	30 Å²	30	60.4 Å²	60.4	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-34.5	178.8	-179.7	-116.6	0	0	0	112	N459 I466 L528	N459-Y462 PolarHBondContact O-N 2.9Å; Y462-I466 HydrophobicContact CD1-CD1 4.09Å; Y462-I466 HydrophobicContact CD2-CD1 4.29Å; Y462-I466 HydrophobicContact CE1-CD1 3.59Å; Y462-I466 HydrophobicContact CE2-CD1 3.83Å; Y462-I466 HydrophobicContact CG-CD1 4.43Å; Y462-I466 VanDerWaalsContact CZ-CD1 3.46Å; Y462-I466 PolarHBondContact O-N 2.98Å; Y462-L528 HydrophobicContact CD2-CD2 3.96Å; Y462-L528 HydrophobicContact CE2-CD2 3.85Å
463	A	82.4	Confident	81	Confident	13 Å²	13	60.2 Å²	60.2	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-44.2	172	0	0	0	0	0	111.7	R452 N459 K460 L461 S465 I466 I467	R452-A463 HydrophobicContact CG-CB 4.22Å; N459-A463 PolarHBondContact O-N 2.73Å; N459-A463 VanDerWaalsContact O-N 3.09Å; K460-A463 PolarHBondContact O-N 3.45Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 2.96Å; A463-S465 PolarHBondContact O-N 3.47Å; A463-I466 PolarHBondContact O-N 3.36Å; A463-I467 VanDerWaalsContact O-CG1 3.31Å; A463-I467 WeakPolarHBondContact O-CG1 3.4Å; A463-I467 PolarHBondContact O-N 3.21Å
464	M	85.8	Confident	81.6	Confident	112 Å²	112	57 Å²	57	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-60.5	-43.6	176.9	-69.6	-58.2	-60.5	0	0	112.7	K460 L461 I466 I467 S468	K460-M464 WeakPolarHBondContact O-CG 3.36Å; K460-M464 PolarHBondContact O-N 3.08Å; K460-M464 VanDerWaalsContact O-N 3.09Å; L461-M464 PolarHBondContact O-N 3.17Å; M464-I466 VanDerWaalsContact C-N 3.32Å; M464-I466 PolarHBondContact O-N 3.41Å; M464-I467 PolarHBondContact O-N 3.46Å; M464-S468 PolarHBondContact O-N 3.05Å
465	S	87	Confident	82.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-37.3	178.5	-56.3	0	0	0	0	112.6	L461 A463 S468 L469	L461-S465 PolarHBondContact O-N 3.06Å; L461-S465 VanDerWaalsContact O-N 3.17Å; L461-S465 PolarHBondContact O-OG 2.7Å; A463-S465 PolarHBondContact O-N 3.47Å; S465-S468 WeakPolarHBondContact O-CB 3.4Å; S465-S468 PolarHBondContact O-N 3.03Å; S465-L469 PolarHBondContact O-N 2.94Å; S465-L469 VanDerWaalsContact O-N 3.08Å
466	I	86.8	Confident	83.4	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-77.3	-32.8	177	-62.7	164.9	0	0	0	111.8	Y462 A463 M464 S468 L469 C470 L528 Y703	Y462-I466 HydrophobicContact CD1-CD1 4.09Å; Y462-I466 HydrophobicContact CD2-CD1 4.29Å; Y462-I466 HydrophobicContact CE1-CD1 3.59Å; Y462-I466 HydrophobicContact CE2-CD1 3.83Å; Y462-I466 HydrophobicContact CG-CD1 4.43Å; Y462-I466 VanDerWaalsContact CZ-CD1 3.46Å; Y462-I466 PolarHBondContact O-N 2.98Å; A463-I466 PolarHBondContact O-N 3.36Å; M464-I466 VanDerWaalsContact C-N 3.32Å; M464-I466 PolarHBondContact O-N 3.41Å; I466-S468 VanDerWaalsContact C-N 3.26Å; I466-S468 PolarHBondContact O-N 2.85Å; I466-L469 WeakPolarHBondContact O-CB 3.48Å; I466-L469 PolarHBondContact O-N 3.07Å; I466-C470 PolarHBondContact O-N 2.91Å; I466-C470 PolarHBondContact O-SG 3.32Å; I466-L528 HydrophobicContact CG1-CD1 4.22Å; I466-L528 HydrophobicContact CG1-CD2 4.25Å; I466-Y703 HydrophobicContact CD1-CD1 3.85Å; I466-Y703 HydrophobicContact CD1-CG 4.4Å; I466-Y703 HydrophobicContact CG1-CD1 4.29Å; I466-Y703 HydrophobicContact CG2-CG 4.46Å
467	I	89.3	Confident	85.2	Confident	26 Å²	26	36.9 Å²	36.9	13%	0.133	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-42.2	169.1	-69.6	164.3	0	0	0	109.7	I449 R452 P453 A463 M464 L469 C470 C471	I449-I467 HydrophobicContact CG1-CG2 4.41Å; I449-I467 HydrophobicContact CG2-CG2 4.37Å; R452-I467 HydrophobicContact CB-CD1 4.31Å; R452-I467 HydrophobicContact CB-CG1 4.24Å; P453-I467 HydrophobicContact CG-CD1 4.06Å; A463-I467 VanDerWaalsContact O-CG1 3.31Å; A463-I467 WeakPolarHBondContact O-CG1 3.4Å; A463-I467 PolarHBondContact O-N 3.21Å; M464-I467 PolarHBondContact O-N 3.46Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 2.96Å; I467-C470 PolarHBondContact O-N 2.83Å; I467-C471 PolarHBondContact O-N 2.97Å; I467-C471 PolarHBondContact O-SG 2.91Å
468	S	91.9	Very high	87	Confident	16 Å²	16	36.2 Å²	36.2	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-37.7	174.3	-171.9	0	0	0	0	113.2	M464 S465 I466 C471 A472 W558	M464-S468 PolarHBondContact O-N 3.05Å; S465-S468 WeakPolarHBondContact O-CB 3.4Å; S465-S468 PolarHBondContact O-N 3.03Å; I466-S468 VanDerWaalsContact C-N 3.26Å; I466-S468 PolarHBondContact O-N 2.85Å; S468-C471 WeakPolarHBondContact O-CB 3.46Å; S468-C471 PolarHBondContact O-N 3.34Å; S468-A472 PolarHBondContact O-N 3.2Å; S468-A472 VanDerWaalsContact O-N 3.16Å; S468-W558 PolarHBondContact OG-NE1 3.09Å
469	L	91	Very high	88.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-47.4	175	179.8	63.6	0	0	0	110.8	S465 I466 I467 C471 A472 D473 L524 L525 L528 Y703	S465-L469 PolarHBondContact O-N 2.94Å; S465-L469 VanDerWaalsContact O-N 3.08Å; I466-L469 WeakPolarHBondContact O-CB 3.48Å; I466-L469 PolarHBondContact O-N 3.07Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 2.96Å; L469-C471 VanDerWaalsContact C-N 3.26Å; L469-C471 PolarHBondContact O-N 2.95Å; L469-A472 WeakPolarHBondContact O-CB 3.41Å; L469-A472 PolarHBondContact O-N 3.49Å; L469-D473 PolarHBondContact O-N 3.4Å; L469-L524 HydrophobicContact CB-CD1 4.35Å; L469-L524 HydrophobicContact CD1-CB 4.14Å; L469-L525 HydrophobicContact CD1-CG 4.31Å; L469-L525 HydrophobicContact CD2-CD2 3.94Å; L469-L528 HydrophobicContact CD2-CD1 4.17Å; L469-Y703 HydrophobicContact CD2-CD2 4.25Å; L469-Y703 HydrophobicContact CD2-CE2 3.91Å
470	C	92.4	Very high	89.7	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-31.5	175.7	-68.3	0	0	0	0	113	N445 V448 I449 I466 I467 C474	N445-C470 HydrophobicContact CB-CB 3.98Å; N445-C470 WeakPolarHBondContact OD1-CA 3.18Å; N445-C470 WeakPolarHBondContact OD1-CB 3.27Å; N445-C470 PolarHBondContact OD1-SG 2.94Å; V448-C470 VanDerWaalsContact CG1-SG 3.58Å; I449-C470 HydrophobicContact CD1-CB 3.89Å; I449-C470 HydrophobicContact CG1-CB 3.62Å; I466-C470 PolarHBondContact O-N 2.91Å; I466-C470 PolarHBondContact O-SG 3.32Å; I467-C470 PolarHBondContact O-N 2.83Å; C470-C474 WeakPolarHBondContact O-CB 3.4Å; C470-C474 PolarHBondContact O-N 3.42Å
471	C	93.9	Very high	90.6	Very high	50 Å²	50	26.6 Å²	26.6	34%	0.338	14%	0.139	S	C	.	.	H	α-helix	trans	-65.2	-42.8	172	-69.9	0	0	0	0	111.9	I467 S468 L469 W558	I467-C471 PolarHBondContact O-N 2.97Å; I467-C471 PolarHBondContact O-SG 2.91Å; S468-C471 WeakPolarHBondContact O-CB 3.46Å; S468-C471 PolarHBondContact O-N 3.34Å; L469-C471 VanDerWaalsContact C-N 3.26Å; L469-C471 PolarHBondContact O-N 2.95Å; C471-W558 HydrophobicContact CB-CZ2 4.21Å
472	A	94.6	Very high	91.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-48.4	175.7	0	0	0	0	0	111.4	S468 L469 C474 L475 S517 V520 S521 L524 W558	S468-A472 PolarHBondContact O-N 3.2Å; S468-A472 VanDerWaalsContact O-N 3.16Å; L469-A472 WeakPolarHBondContact O-CB 3.41Å; L469-A472 PolarHBondContact O-N 3.49Å; A472-C474 VanDerWaalsContact C-N 3.27Å; A472-C474 PolarHBondContact O-N 2.93Å; A472-L475 WeakPolarHBondContact O-CB 3.4Å; A472-L475 PolarHBondContact O-N 3.27Å; A472-S517 PolarHBondContact O-OG 2.95Å; A472-V520 HydrophobicContact CB-CB 4.19Å; A472-V520 HydrophobicContact CB-CG1 3.76Å; A472-S521 WeakPolarHBondContact CB-OG 3.21Å; A472-L524 HydrophobicContact CB-CD1 4.4Å; A472-W558 HydrophobicContact CB-CH2 4.12Å; A472-W558 HydrophobicContact CB-CZ2 4.16Å
473	D	93.8	Very high	92.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-33.3	176.6	-75.2	-30	0	0	0	113.4	T441 L469 L475 M476 G477 S521 S696 N699	T441-D473 VanDerWaalsContact CG2-O 3.25Å; T441-D473 WeakPolarHBondContact CG2-O 3.43Å; L469-D473 PolarHBondContact O-N 3.4Å; D473-L475 PolarHBondContact O-N 2.91Å; D473-M476 WeakPolarHBondContact O-CB 3.48Å; D473-M476 PolarHBondContact O-N 3.4Å; D473-G477 PolarHBondContact O-N 3.31Å; D473-S521 PolarHBondContact OD1-OG 3.09Å; D473-S521 VanDerWaalsContact OD1-OG 3.1Å; D473-S696 WeakPolarHBondContact OD1-CA 3.25Å; D473-S696 VanDerWaalsContact OD1-CB 3.26Å; D473-S696 WeakPolarHBondContact OD1-CB 3.16Å; D473-S696 PolarHBondContact OD1-OG 2.83Å; D473-N699 WeakPolarHBondContact OD2-CB 3.35Å; D473-N699 PolarHBondContact OD2-ND2 2.88Å
474	C	94.4	Very high	92.6	Very high	20 Å²	20	24.3 Å²	24.3	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-29.8	175.6	-167.4	0	0	0	0	112.6	C470 A472 M476 G477 I478	C470-C474 WeakPolarHBondContact O-CB 3.4Å; C470-C474 PolarHBondContact O-N 3.42Å; A472-C474 VanDerWaalsContact C-N 3.27Å; A472-C474 PolarHBondContact O-N 2.93Å; C474-M476 VanDerWaalsContact C-N 3.34Å; C474-G477 PolarHBondContact O-N 2.99Å; C474-I478 WeakPolarHBondContact O-CG1 3.2Å; C474-I478 PolarHBondContact O-N 3.49Å
475	L	95.3	Very high	92.9	Very high	37 Å²	37	20.5 Å²	20.5	19%	0.194	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-34.8	176.3	-54.6	176.8	0	0	0	111.5	A472 D473 G477 I478 Y479 L513 L516 W558	A472-L475 WeakPolarHBondContact O-CB 3.4Å; A472-L475 PolarHBondContact O-N 3.27Å; D473-L475 PolarHBondContact O-N 2.91Å; L475-G477 VanDerWaalsContact C-N 3.35Å; L475-I478 HydrophobicContact CD2-CD1 4.45Å; L475-I478 PolarHBondContact O-N 2.99Å; L475-Y479 WeakPolarHBondContact O-CB 3.48Å; L475-Y479 PolarHBondContact O-N 3.22Å; L475-L513 HydrophobicContact CB-CD1 3.97Å; L475-L513 HydrophobicContact CB-CG 4.22Å; L475-L513 HydrophobicContact CD1-CD1 4.21Å; L475-L513 HydrophobicContact CD2-CD1 4.04Å; L475-L513 HydrophobicContact CG-CD1 4.27Å; L475-L516 HydrophobicContact CD1-CD2 4.05Å; L475-L516 HydrophobicContact CD1-CG 4.28Å; L475-W558 HydrophobicContact CD1-CH2 3.96Å; L475-W558 HydrophobicContact CD1-CZ3 4.01Å
476	M	93.7	Very high	93.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-40.7	172.1	-174.4	55.1	54.5	0	0	111.6	D473 C474 Y479 L480 A514 S517 T518 L692 P693	D473-M476 WeakPolarHBondContact O-CB 3.48Å; D473-M476 PolarHBondContact O-N 3.4Å; C474-M476 VanDerWaalsContact C-N 3.34Å; M476-Y479 WeakPolarHBondContact O-CB 3.35Å; M476-Y479 PolarHBondContact O-N 3.01Å; M476-Y479 HydrophobicContact SD-CD1 3.51Å; M476-Y479 VanDerWaalsContact SD-CD1 3.51Å; M476-Y479 HydrophobicContact SD-CE1 3.95Å; M476-Y479 HydrophobicContact SD-CG 4.46Å; M476-L480 PolarHBondContact O-N 3.37Å; M476-A514 HydrophobicContact CE-CB 4.27Å; M476-S517 WeakPolarHBondContact CB-OG 3.3Å; M476-S517 PolarHBondContact N-OG 3.27Å; M476-S517 VanDerWaalsContact N-OG 3.13Å; M476-T518 HydrophobicContact CE-CG2 3.58Å; M476-L692 HydrophobicContact CE-CD2 3.46Å; M476-L692 VanDerWaalsContact CE-CD2 3.46Å; M476-L692 HydrophobicContact SD-CD2 3.71Å; M476-P693 HydrophobicContact CG-CB 3.9Å; M476-P693 HydrophobicContact CG-CG 4.22Å; M476-P693 HydrophobicContact SD-CB 4.38Å; M476-P693 HydrophobicContact SD-CG 4.03Å
477	G	94.3	Very high	93.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-42.3	174.7	0	0	0	0	0	112.7	C442 D473 C474 L475 L480 F481	C442-G477 VanDerWaalsContact SG-C 3.51Å; C442-G477 VanDerWaalsContact SG-CA 3.58Å; D473-G477 PolarHBondContact O-N 3.31Å; C474-G477 PolarHBondContact O-N 2.99Å; L475-G477 VanDerWaalsContact C-N 3.35Å; G477-L480 PolarHBondContact O-N 2.72Å; G477-F481 WeakPolarHBondContact O-CB 3.31Å; G477-F481 PolarHBondContact O-N 3Å
478	I	95.1	Very high	93.4	Very high	76 Å²	76	25.6 Å²	25.6	39%	0.39	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-45.1	175	-67.1	165.9	0	0	0	110.9	C474 L475 L480 F481 V482 L513	C474-I478 WeakPolarHBondContact O-CG1 3.2Å; C474-I478 PolarHBondContact O-N 3.49Å; L475-I478 HydrophobicContact CD2-CD1 4.45Å; L475-I478 PolarHBondContact O-N 2.99Å; I478-L480 PolarHBondContact O-N 3.09Å; I478-F481 WeakPolarHBondContact O-CB 3.28Å; I478-F481 PolarHBondContact O-N 2.99Å; I478-V482 WeakPolarHBondContact O-CG2 3.34Å; I478-V482 PolarHBondContact O-N 3.39Å; I478-L513 HydrophobicContact CB-CD2 4.4Å; I478-L513 HydrophobicContact CG2-CD2 3.97Å
479	Y	95.3	Very high	93.4	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-53.9	-52.6	174.8	155.5	-99.3	0	0	0	111.9	L475 M476 F481 V482 I483 V510 A514 V584 V688	L475-Y479 WeakPolarHBondContact O-CB 3.48Å; L475-Y479 PolarHBondContact O-N 3.22Å; M476-Y479 WeakPolarHBondContact O-CB 3.35Å; M476-Y479 PolarHBondContact O-N 3.01Å; M476-Y479 HydrophobicContact SD-CD1 3.51Å; M476-Y479 VanDerWaalsContact SD-CD1 3.51Å; M476-Y479 HydrophobicContact SD-CE1 3.95Å; M476-Y479 HydrophobicContact SD-CG 4.46Å; Y479-F481 VanDerWaalsContact C-N 3.32Å; Y479-F481 PolarHBondContact O-N 3.4Å; Y479-V482 PolarHBondContact O-N 2.93Å; Y479-I483 HydrophobicContact CD2-CG1 4.29Å; Y479-I483 HydrophobicContact CE2-CD1 4.32Å; Y479-I483 HydrophobicContact CE2-CG1 3.93Å; Y479-I483 WeakPolarHBondContact O-CG1 3.47Å; Y479-I483 PolarHBondContact O-N 3.5Å; Y479-V510 HydrophobicContact CD2-CG1 3.47Å; Y479-V510 VanDerWaalsContact CD2-CG1 3.47Å; Y479-V510 WeakPolarHBondContact CD2-O 3.28Å; Y479-V510 HydrophobicContact CE2-CG1 3.85Å; Y479-A514 HydrophobicContact CD1-CB 4.16Å; Y479-A514 HydrophobicContact CD2-CB 3.66Å; Y479-A514 HydrophobicContact CE1-CB 4.25Å; Y479-A514 HydrophobicContact CE2-CB 3.77Å; Y479-A514 HydrophobicContact CG-CB 3.86Å; Y479-V584 WeakPolarHBondContact OH-CG1 3.31Å; Y479-V584 PolarHBondContact OH-O 3.3Å; Y479-V688 WeakPolarHBondContact OH-CG1 3.14Å
480	L	94.1	Very high	93.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-39.6	177.8	-74.5	-176.9	0	0	0	112.5	V434 V437 M476 G477 I478 V482 I483 G484 P693	V434-L480 HydrophobicContact CG1-CB 4.42Å; V434-L480 WeakPolarHBondContact CG1-O 3.07Å; V437-L480 HydrophobicContact CB-CD1 4.18Å; V437-L480 HydrophobicContact CG1-CD1 3.84Å; M476-L480 PolarHBondContact O-N 3.37Å; G477-L480 PolarHBondContact O-N 2.72Å; I478-L480 PolarHBondContact O-N 3.09Å; L480-V482 VanDerWaalsContact C-N 3.32Å; L480-V482 PolarHBondContact O-N 2.53Å; L480-I483 PolarHBondContact O-N 3.15Å; L480-G484 PolarHBondContact O-N 2.9Å; L480-P693 HydrophobicContact CD1-CB 3.65Å; L480-P693 HydrophobicContact CD1-CG 3.86Å; L480-P693 HydrophobicContact CD2-CG 4.17Å; L480-P693 HydrophobicContact CG-CB 4.48Å; L480-P693 HydrophobicContact CG-CG 4.28Å
481	F	94.6	Very high	92.9	Very high	121 Å²	121	39.8 Å²	39.8	53%	0.531	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-39.2	177.4	-167.7	-84.5	0	0	0	111.8	W435 G477 I478 Y479 G485	W435-F481 HydrophobicContact CE3-CD2 4.4Å; W435-F481 HydrophobicContact CE3-CE2 4.38Å; W435-F481 HydrophobicContact CH2-CE2 4.49Å; W435-F481 AromaticContact CZ3-CD2 3.8Å; W435-F481 HydrophobicContact CZ3-CD2 3.8Å; W435-F481 AromaticContact CZ3-CE2 3.59Å; W435-F481 HydrophobicContact CZ3-CE2 3.59Å; W435-F481 HydrophobicContact CZ3-CG 4.4Å; W435-F481 HydrophobicContact CZ3-CZ 4Å; G477-F481 WeakPolarHBondContact O-CB 3.31Å; G477-F481 PolarHBondContact O-N 3Å; I478-F481 WeakPolarHBondContact O-CB 3.28Å; I478-F481 PolarHBondContact O-N 2.99Å; Y479-F481 VanDerWaalsContact C-N 3.32Å; Y479-F481 PolarHBondContact O-N 3.4Å; F481-G485 PolarHBondContact O-N 3.23Å
482	V	94.7	Very high	92.2	Very high	42 Å²	42	39.2 Å²	39.2	26%	0.255	20%	0.201	S	C	.	.	H	α-helix	trans	-67.2	-44.8	175.5	175.8	0	0	0	0	111.2	I478 Y479 L480 G484 G485 F486 V510	I478-V482 WeakPolarHBondContact O-CG2 3.34Å; I478-V482 PolarHBondContact O-N 3.39Å; Y479-V482 PolarHBondContact O-N 2.93Å; L480-V482 VanDerWaalsContact C-N 3.32Å; L480-V482 PolarHBondContact O-N 2.53Å; V482-G484 PolarHBondContact O-N 3.38Å; V482-G485 PolarHBondContact O-N 3.44Å; V482-F486 HydrophobicContact CG1-CD2 3.65Å; V482-F486 HydrophobicContact CG1-CE2 3.72Å; V482-F486 WeakPolarHBondContact O-CD2 3.41Å; V482-F486 PolarHBondContact O-N 3.25Å; V482-V510 HydrophobicContact CB-CG2 4.35Å; V482-V510 HydrophobicContact CG1-CG1 4.43Å; V482-V510 HydrophobicContact CG1-CG2 3.59Å
483	I	93.3	Very high	91.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-45.5	175.1	-64.9	-61.7	0	0	0	111.2	L424 L425 Y479 L480 G485 F486 D487 W501 V510	L424-I483 HydrophobicContact CD2-CG2 4.19Å; L425-I483 HydrophobicContact CD1-CG2 4.49Å; Y479-I483 HydrophobicContact CD2-CG1 4.29Å; Y479-I483 HydrophobicContact CE2-CD1 4.32Å; Y479-I483 HydrophobicContact CE2-CG1 3.93Å; Y479-I483 WeakPolarHBondContact O-CG1 3.47Å; Y479-I483 PolarHBondContact O-N 3.5Å; L480-I483 PolarHBondContact O-N 3.15Å; I483-G485 VanDerWaalsContact C-N 3.33Å; I483-G485 PolarHBondContact O-N 3.46Å; I483-F486 PolarHBondContact O-N 3.01Å; I483-D487 PolarHBondContact O-N 3.5Å; I483-W501 HydrophobicContact CD1-CZ2 4.34Å; I483-V510 HydrophobicContact CD1-CG1 3.9Å; I483-V510 HydrophobicContact CG1-CG1 4.27Å
484	G	93.1	Very high	91.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-38.1	174.9	0	0	0	0	0	113.2	W435 L480 V482 L488	W435-G484 VanDerWaalsContact CZ2-C 3.43Å; W435-G484 WeakPolarHBondContact CZ2-O 3.21Å; L480-G484 PolarHBondContact O-N 2.9Å; V482-G484 PolarHBondContact O-N 3.38Å; G484-L488 WeakPolarHBondContact O-CG 3.46Å; G484-L488 PolarHBondContact O-N 2.98Å; G484-L488 VanDerWaalsContact O-N 3.16Å
485	G	92.8	Very high	90.3	Very high	31 Å²	31	44.4 Å²	44.4	32%	0.32	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-39.7	174.6	0	0	0	0	0	113.6	F481 V482 I483 K489	F481-G485 PolarHBondContact O-N 3.23Å; V482-G485 PolarHBondContact O-N 3.44Å; I483-G485 VanDerWaalsContact C-N 3.33Å; I483-G485 PolarHBondContact O-N 3.46Å; G485-K489 PolarHBondContact O-N 3.28Å; G485-K489 VanDerWaalsContact O-N 3.09Å
486	F	91.9	Very high	89.4	Confident	41 Å²	41	49 Å²	49	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-75.6	-31.5	176.2	-82.3	-76.9	0	0	0	113.2	L424 V482 I483 L488 K489 F490 W501	L424-F486 HydrophobicContact CD2-CB 4.26Å; V482-F486 HydrophobicContact CG1-CD2 3.65Å; V482-F486 HydrophobicContact CG1-CE2 3.72Å; V482-F486 WeakPolarHBondContact O-CD2 3.41Å; V482-F486 PolarHBondContact O-N 3.25Å; I483-F486 PolarHBondContact O-N 3.01Å; F486-L488 VanDerWaalsContact C-N 3.35Å; F486-K489 HydrophobicContact CD1-CD 4.01Å; F486-K489 HydrophobicContact CE1-CD 4.06Å; F486-K489 PolarHBondContact O-N 2.95Å; F486-F490 HydrophobicContact CB-CD2 4.23Å; F486-F490 HydrophobicContact CB-CE2 4.08Å; F486-F490 HydrophobicContact CD1-CD2 4.28Å; F486-F490 AromaticContact CD1-CE2 3.49Å; F486-F490 HydrophobicContact CD1-CE2 3.49Å; F486-F490 VanDerWaalsContact CD1-CE2 3.49Å; F486-F490 AromaticContact CD1-CZ 3.69Å; F486-F490 HydrophobicContact CD1-CZ 3.69Å; F486-F490 HydrophobicContact CE1-CE2 4.34Å; F486-F490 HydrophobicContact CE1-CZ 4.16Å; F486-F490 HydrophobicContact CG-CE2 4.19Å; F486-F490 VanDerWaalsContact O-CD2 3.26Å; F486-F490 WeakPolarHBondContact O-CD2 3.34Å; F486-F490 PolarHBondContact O-N 3.47Å; F486-W501 HydrophobicContact CB-CH2 4.33Å; F486-W501 HydrophobicContact CB-CZ2 4.45Å; F486-W501 HydrophobicContact CD1-CE3 4.05Å; F486-W501 HydrophobicContact CD1-CH2 4.18Å; F486-W501 AromaticContact CD1-CZ3 3.71Å; F486-W501 HydrophobicContact CD1-CZ3 3.71Å; F486-W501 AromaticContact CD2-CH2 3.45Å; F486-W501 HydrophobicContact CD2-CH2 3.45Å; F486-W501 VanDerWaalsContact CD2-CH2 3.45Å; F486-W501 HydrophobicContact CD2-CZ2 4.3Å; F486-W501 AromaticContact CD2-CZ3 3.71Å; F486-W501 HydrophobicContact CD2-CZ3 3.71Å; F486-W501 HydrophobicContact CE1-CE3 4.08Å; F486-W501 HydrophobicContact CE1-CH2 4.35Å; F486-W501 AromaticContact CE1-CZ3 3.59Å; F486-W501 HydrophobicContact CE1-CZ3 3.59Å; F486-W501 AromaticContact CE2-CH2 3.67Å; F486-W501 HydrophobicContact CE2-CH2 3.67Å; F486-W501 AromaticContact CE2-CZ3 3.61Å; F486-W501 HydrophobicContact CE2-CZ3 3.61Å; F486-W501 HydrophobicContact CG-CE3 4.38Å; F486-W501 AromaticContact CG-CH2 3.73Å; F486-W501 HydrophobicContact CG-CH2 3.73Å; F486-W501 HydrophobicContact CG-CZ2 4.33Å; F486-W501 AromaticContact CG-CZ3 3.76Å; F486-W501 HydrophobicContact CG-CZ3 3.76Å; F486-W501 HydrophobicContact CZ-CE3 4.45Å; F486-W501 HydrophobicContact CZ-CH2 4.12Å; F486-W501 AromaticContact CZ-CZ3 3.55Å; F486-W501 HydrophobicContact CZ-CZ3 3.55Å
487	D	91.5	Very high	88.9	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-44	169.1	-179.4	74.7	0	0	0	111.5	L424 L425 R431 I483 K489 R491	L424-D487 HydrophobicContact CB-CB 4.1Å; L424-D487 HydrophobicContact CD2-CB 4.09Å; L425-D487 HydrophobicContact CD1-CB 4.44Å; L425-D487 HydrophobicContact CG-CB 4.46Å; L425-D487 PolarHBondContact N-OD1 2.98Å; R431-D487 VanDerWaalsContact CD-OD2 3.25Å; R431-D487 WeakPolarHBondContact CD-OD2 3.42Å; R431-D487 WeakPolarHBondContact CG-OD2 3.41Å; R431-D487 IonicContact NE-OD2 2.66Å; I483-D487 PolarHBondContact O-N 3.5Å; D487-K489 VanDerWaalsContact C-N 3.34Å; D487-K489 PolarHBondContact O-N 3.49Å; D487-R491 PolarHBondContact O-N 2.66Å
488	L	90.8	Very high	88.2	Confident	91 Å²	91	52.4 Å²	52.4	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-37.8	173	-71.1	-179	0	0	0	112.7	W435 G484 F486	W435-L488 HydrophobicContact CH2-CD1 4.35Å; W435-L488 HydrophobicContact CZ2-CD1 3.57Å; W435-L488 HydrophobicContact CZ2-CG 4.19Å; G484-L488 WeakPolarHBondContact O-CG 3.46Å; G484-L488 PolarHBondContact O-N 2.98Å; G484-L488 VanDerWaalsContact O-N 3.16Å; F486-L488 VanDerWaalsContact C-N 3.35Å
489	K	90.2	Very high	87.4	Confident	149 Å²	149	51.3 Å²	51.3	65%	0.648	25%	0.252	S	S	*	.	H	α-helix	trans	-69.5	-38.4	-178.7	-174.3	-179	178.5	-178.4	0	113.2	G485 F486 D487	G485-K489 PolarHBondContact O-N 3.28Å; G485-K489 VanDerWaalsContact O-N 3.09Å; F486-K489 HydrophobicContact CD1-CD 4.01Å; F486-K489 HydrophobicContact CE1-CD 4.06Å; F486-K489 PolarHBondContact O-N 2.95Å; D487-K489 VanDerWaalsContact C-N 3.34Å; D487-K489 PolarHBondContact O-N 3.49Å
490	F	87.9	Confident	86.9	Confident	17 Å²	17	57.1 Å²	57.1	8%	0.075	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.6	-175.1	-60.1	-46	0	0	0	114	F486 G492 E493 Y494 H497 W501	F486-F490 HydrophobicContact CB-CD2 4.23Å; F486-F490 HydrophobicContact CB-CE2 4.08Å; F486-F490 HydrophobicContact CD1-CD2 4.28Å; F486-F490 AromaticContact CD1-CE2 3.49Å; F486-F490 HydrophobicContact CD1-CE2 3.49Å; F486-F490 VanDerWaalsContact CD1-CE2 3.49Å; F486-F490 AromaticContact CD1-CZ 3.69Å; F486-F490 HydrophobicContact CD1-CZ 3.69Å; F486-F490 HydrophobicContact CE1-CE2 4.34Å; F486-F490 HydrophobicContact CE1-CZ 4.16Å; F486-F490 HydrophobicContact CG-CE2 4.19Å; F486-F490 VanDerWaalsContact O-CD2 3.26Å; F486-F490 WeakPolarHBondContact O-CD2 3.34Å; F486-F490 PolarHBondContact O-N 3.47Å; F490-G492 PolarHBondContact O-N 3.35Å; F490-E493 CarbonylContact O-C 3.45Å; F490-E493 PolarHBondContact O-N 3.01Å; F490-E493 VanDerWaalsContact O-N 3.12Å; F490-Y494 HydrophobicContact CB-CD2 3.85Å; F490-Y494 AromaticContact CD2-CD2 3.95Å; F490-Y494 HydrophobicContact CD2-CD2 3.95Å; F490-Y494 HydrophobicContact CD2-CE2 4.21Å; F490-Y494 HydrophobicContact CG-CD2 4.12Å; F490-Y494 PolarHBondContact O-N 3.01Å; F490-H497 HydrophobicContact CD1-CB 3.75Å; F490-H497 AromaticContact CD1-CD2 3.73Å; F490-H497 AromaticContact CD1-CG 3.83Å; F490-H497 HydrophobicContact CE1-CB 3.67Å; F490-H497 AromaticContact CE1-CG 3.79Å; F490-H497 HydrophobicContact CG-CB 4.38Å; F490-H497 HydrophobicContact CZ-CB 4.24Å; F490-W501 HydrophobicContact CE2-CB 4.11Å; F490-W501 AromaticContact CE2-CD2 3.9Å; F490-W501 HydrophobicContact CE2-CD2 3.9Å; F490-W501 AromaticContact CE2-CE3 3.99Å; F490-W501 HydrophobicContact CE2-CE3 3.99Å; F490-W501 AromaticContact CE2-CG 3.95Å; F490-W501 HydrophobicContact CE2-CG 3.95Å; F490-W501 HydrophobicContact CZ-CB 4.33Å; F490-W501 HydrophobicContact CZ-CE3 4.26Å
491	R	85.4	Confident	86.6	Confident	150 Å²	150	57.4 Å²	57.4	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	123	-173.7	-166.1	175.3	-176.5	159	0.2	112.6	N423 D487 E493	N423-R491 WeakPolarHBondContact OD1-CG 3.43Å; D487-R491 PolarHBondContact O-N 2.66Å; R491-E493 VanDerWaalsContact C-N 3.3Å; R491-E493 PolarHBondContact O-N 3Å
492	G	80.1	Confident	86.2	Confident	39 Å²	39	52.4 Å²	52.4	40%	0.402	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-17.3	-179.7	0	0	0	0	0	114.7	E422 F490	E422-G492 CarbonylContact O-C 3.5Å; E422-G492 WeakPolarHBondContact O-CA 3.47Å; E422-G492 PolarHBondContact O-N 2.75Å; F490-G492 PolarHBondContact O-N 3.35Å
493	E	81.9	Confident	85.7	Confident	98 Å²	98	55.9 Å²	55.9	46%	0.458	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	19.8	-176	-56.5	-151.2	142.3	0	0	114.1	E422 F490 R491 N495 K496	E422-E493 PolarHBondContact O-N 3.02Å; F490-E493 CarbonylContact O-C 3.45Å; F490-E493 PolarHBondContact O-N 3.01Å; F490-E493 VanDerWaalsContact O-N 3.12Å; R491-E493 VanDerWaalsContact C-N 3.3Å; R491-E493 PolarHBondContact O-N 3Å; E493-N495 VanDerWaalsContact C-N 3.29Å; E493-N495 PolarHBondContact O-N 3.14Å; E493-N495 VanDerWaalsContact O-N 3.15Å; E493-K496 HydrophobicContact CB-CD 4.3Å; E493-K496 WeakPolarHBondContact O-CB 3.48Å; E493-K496 PolarHBondContact O-N 3.05Å; E493-K496 IonicContact OE1-NZ 2.69Å; E493-K496 PolarHBondContact OE1-NZ 2.99Å; E493-K496 WeakPolarHBondContact OE2-CE 3.48Å; E493-K496 IonicContact OE2-NZ 3.22Å; E493-K496 PolarHBondContact OE2-NZ 3.31Å
494	Y	82.6	Confident	85.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-53.8	-40.3	-172	178.2	-117.9	0	0	0	113.9	F399 S420 E422 L424 F490 K496 H497 A498 G583	F399-Y494 HydrophobicContact CE2-CD1 4.37Å; F399-Y494 HydrophobicContact CE2-CE1 4.17Å; F399-Y494 AromaticContact CZ-CE1 3.96Å; F399-Y494 HydrophobicContact CZ-CE1 3.96Å; S420-Y494 WeakPolarHBondContact O-CD1 3.32Å; E422-Y494 VanDerWaalsContact O-CB 3.32Å; E422-Y494 WeakPolarHBondContact O-CB 3.33Å; E422-Y494 PolarHBondContact O-N 3.38Å; L424-Y494 HydrophobicContact CB-CD2 4.25Å; L424-Y494 HydrophobicContact CB-CE2 4.35Å; L424-Y494 HydrophobicContact CD1-CD2 4.15Å; L424-Y494 HydrophobicContact CD1-CE1 4.23Å; L424-Y494 HydrophobicContact CD1-CE2 3.41Å; L424-Y494 VanDerWaalsContact CD1-CE2 3.41Å; L424-Y494 VanDerWaalsContact CD1-CZ 3.46Å; L424-Y494 WeakPolarHBondContact CD1-OH 3.29Å; F490-Y494 HydrophobicContact CB-CD2 3.85Å; F490-Y494 AromaticContact CD2-CD2 3.95Å; F490-Y494 HydrophobicContact CD2-CD2 3.95Å; F490-Y494 HydrophobicContact CD2-CE2 4.21Å; F490-Y494 HydrophobicContact CG-CD2 4.12Å; F490-Y494 PolarHBondContact O-N 3.01Å; Y494-K496 PolarHBondContact O-N 3.12Å; Y494-K496 VanDerWaalsContact O-N 3.13Å; Y494-H497 CarbonylContact O-C 3.47Å; Y494-H497 WeakPolarHBondContact O-CA 3.46Å; Y494-H497 PolarHBondContact O-N 2.78Å; Y494-A498 HydrophobicContact CD1-CB 4.21Å; Y494-A498 HydrophobicContact CE1-CB 3.77Å; Y494-A498 HydrophobicContact CE2-CB 4.14Å; Y494-A498 PolarHBondContact O-N 2.89Å; Y494-G583 WeakPolarHBondContact OH-CA 3.31Å
495	N	78	Confident	85.3	Confident	32 Å²	32	60.9 Å²	60.9	17%	0.171	31%	0.307	C	S	.	.	H	α-helix	trans	-53.2	-35.4	178.5	-173.8	32.9	0	0	0	113.8	Q400 G403 L421 E493 H497	Q400-N495 WeakPolarHBondContact CA-OD1 3.48Å; Q400-N495 PolarHBondContact O-OD1 3.39Å; G403-N495 VanDerWaalsContact CA-ND2 3.29Å; G403-N495 WeakPolarHBondContact CA-ND2 3.35Å; G403-N495 PolarHBondContact N-ND2 3.45Å; L421-N495 HydrophobicContact CD2-CB 4.07Å; L421-N495 WeakPolarHBondContact O-CB 3.35Å; L421-N495 PolarHBondContact O-N 3.45Å; E493-N495 VanDerWaalsContact C-N 3.29Å; E493-N495 PolarHBondContact O-N 3.14Å; E493-N495 VanDerWaalsContact O-N 3.15Å; N495-H497 PolarHBondContact O-N 3.45Å
496	K	76.1	Confident	85.3	Confident	133 Å²	133	64.9 Å²	64.9	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-66.2	-25.2	176.5	-60.4	-176.2	-168.2	170.5	0	112.9	E493 Y494	E493-K496 HydrophobicContact CB-CD 4.3Å; E493-K496 WeakPolarHBondContact O-CB 3.48Å; E493-K496 PolarHBondContact O-N 3.05Å; E493-K496 IonicContact OE1-NZ 2.69Å; E493-K496 PolarHBondContact OE1-NZ 2.99Å; E493-K496 WeakPolarHBondContact OE2-CE 3.48Å; E493-K496 IonicContact OE2-NZ 3.22Å; E493-K496 PolarHBondContact OE2-NZ 3.31Å; Y494-K496 PolarHBondContact O-N 3.12Å; Y494-K496 VanDerWaalsContact O-N 3.13Å
497	H	83.4	Confident	85.3	Confident	73 Å²	73	63 Å²	63	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-111.4	-11.8	-175	-64	-60.1	0	0	0	113.5	F490 Y494 N495 Q499 L500 W501	F490-H497 HydrophobicContact CD1-CB 3.75Å; F490-H497 AromaticContact CD1-CD2 3.73Å; F490-H497 AromaticContact CD1-CG 3.83Å; F490-H497 HydrophobicContact CE1-CB 3.67Å; F490-H497 AromaticContact CE1-CG 3.79Å; F490-H497 HydrophobicContact CG-CB 4.38Å; F490-H497 HydrophobicContact CZ-CB 4.24Å; Y494-H497 CarbonylContact O-C 3.47Å; Y494-H497 WeakPolarHBondContact O-CA 3.46Å; Y494-H497 PolarHBondContact O-N 2.78Å; N495-H497 PolarHBondContact O-N 3.45Å; H497-Q499 PolarHBondContact O-N 2.89Å; H497-L500 PolarHBondContact O-N 3.16Å; H497-W501 VanDerWaalsContact O-CB 3.26Å; H497-W501 WeakPolarHBondContact O-CB 3.36Å; H497-W501 PolarHBondContact O-N 2.82Å
498	A	80.3	Confident	85.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-55.3	-51.1	-171.5	0	0	0	0	0	112.9	Q400 Y494 W501 M502	Q400-A498 HydrophobicContact CB-CB 4.33Å; Y494-A498 HydrophobicContact CD1-CB 4.21Å; Y494-A498 HydrophobicContact CE1-CB 3.77Å; Y494-A498 HydrophobicContact CE2-CB 4.14Å; Y494-A498 PolarHBondContact O-N 2.89Å; A498-W501 PolarHBondContact O-N 3.05Å; A498-M502 HydrophobicContact CB-CE 4.38Å; A498-M502 WeakPolarHBondContact O-CB 3.24Å; A498-M502 WeakPolarHBondContact O-CE 3.22Å; A498-M502 WeakPolarHBondContact O-CG 3.41Å; A498-M502 PolarHBondContact O-N 2.62Å
499	Q	77.6	Confident	85.4	Confident	52 Å²	52	64.2 Å²	64.2	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-48.3	177.9	-175.2	175.1	-3.5	0	0	111.7	Y404 H497 W501 M502 E503	Y404-Q499 PolarHBondContact OH-OE1 3.46Å; H497-Q499 PolarHBondContact O-N 2.89Å; Q499-W501 VanDerWaalsContact C-N 3.26Å; Q499-W501 PolarHBondContact O-N 3.36Å; Q499-M502 PolarHBondContact O-N 2.69Å; Q499-E503 HydrophobicContact CG-CG 4.38Å; Q499-E503 VanDerWaalsContact CG-OE1 3.25Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.4Å; Q499-E503 PolarHBondContact NE2-OE1 3.17Å; Q499-E503 WeakPolarHBondContact O-CB 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.37Å; Q499-E503 PolarHBondContact O-N 3.19Å
500	L	83.8	Confident	85.5	Confident	124 Å²	124	57.8 Å²	57.8	65%	0.649	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-34.2	178.6	-71.9	170.5	0	0	0	112.6	H497 S504	H497-L500 PolarHBondContact O-N 3.16Å; L500-S504 VanDerWaalsContact O-CB 3.29Å; L500-S504 WeakPolarHBondContact O-CB 3.06Å; L500-S504 PolarHBondContact O-N 3.42Å
501	W	89.1	Confident	85.7	Confident	7 Å²	7	57 Å²	57	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-53.4	176.3	168.7	-113.9	0	0	0	110.9	I483 F486 F490 H497 A498 Q499 E503 S504 H506 C507 G583	I483-W501 HydrophobicContact CD1-CZ2 4.34Å; F486-W501 HydrophobicContact CB-CH2 4.33Å; F486-W501 HydrophobicContact CB-CZ2 4.45Å; F486-W501 HydrophobicContact CD1-CE3 4.05Å; F486-W501 HydrophobicContact CD1-CH2 4.18Å; F486-W501 AromaticContact CD1-CZ3 3.71Å; F486-W501 HydrophobicContact CD1-CZ3 3.71Å; F486-W501 AromaticContact CD2-CH2 3.45Å; F486-W501 HydrophobicContact CD2-CH2 3.45Å; F486-W501 VanDerWaalsContact CD2-CH2 3.45Å; F486-W501 HydrophobicContact CD2-CZ2 4.3Å; F486-W501 AromaticContact CD2-CZ3 3.71Å; F486-W501 HydrophobicContact CD2-CZ3 3.71Å; F486-W501 HydrophobicContact CE1-CE3 4.08Å; F486-W501 HydrophobicContact CE1-CH2 4.35Å; F486-W501 AromaticContact CE1-CZ3 3.59Å; F486-W501 HydrophobicContact CE1-CZ3 3.59Å; F486-W501 AromaticContact CE2-CH2 3.67Å; F486-W501 HydrophobicContact CE2-CH2 3.67Å; F486-W501 AromaticContact CE2-CZ3 3.61Å; F486-W501 HydrophobicContact CE2-CZ3 3.61Å; F486-W501 HydrophobicContact CG-CE3 4.38Å; F486-W501 AromaticContact CG-CH2 3.73Å; F486-W501 HydrophobicContact CG-CH2 3.73Å; F486-W501 HydrophobicContact CG-CZ2 4.33Å; F486-W501 AromaticContact CG-CZ3 3.76Å; F486-W501 HydrophobicContact CG-CZ3 3.76Å; F486-W501 HydrophobicContact CZ-CE3 4.45Å; F486-W501 HydrophobicContact CZ-CH2 4.12Å; F486-W501 AromaticContact CZ-CZ3 3.55Å; F486-W501 HydrophobicContact CZ-CZ3 3.55Å; F490-W501 HydrophobicContact CE2-CB 4.11Å; F490-W501 AromaticContact CE2-CD2 3.9Å; F490-W501 HydrophobicContact CE2-CD2 3.9Å; F490-W501 AromaticContact CE2-CE3 3.99Å; F490-W501 HydrophobicContact CE2-CE3 3.99Å; F490-W501 AromaticContact CE2-CG 3.95Å; F490-W501 HydrophobicContact CE2-CG 3.95Å; F490-W501 HydrophobicContact CZ-CB 4.33Å; F490-W501 HydrophobicContact CZ-CE3 4.26Å; H497-W501 VanDerWaalsContact O-CB 3.26Å; H497-W501 WeakPolarHBondContact O-CB 3.36Å; H497-W501 PolarHBondContact O-N 2.82Å; A498-W501 PolarHBondContact O-N 3.05Å; Q499-W501 VanDerWaalsContact C-N 3.26Å; Q499-W501 PolarHBondContact O-N 3.36Å; W501-E503 VanDerWaalsContact C-N 3.34Å; W501-E503 PolarHBondContact O-N 2.92Å; W501-S504 VanDerWaalsContact O-CB 3.27Å; W501-S504 WeakPolarHBondContact O-CB 3.32Å; W501-S504 PolarHBondContact O-N 3.31Å; W501-S504 PolarHBondContact O-OG 3.12Å; W501-H506 HydrophobicContact CZ3-CB 3.87Å; W501-C507 HydrophobicContact CD2-CB 4.31Å; W501-C507 HydrophobicContact CH2-CB 4.44Å; W501-C507 HydrophobicContact CZ2-CB 4.19Å; W501-C507 WeakPolarHBondContact O-CB 3.15Å; W501-G583 PolarHBondContact NE1-O 2.83Å
502	M	85.1	Confident	86.1	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-34.8	-178.3	-70.7	-174.2	-66.6	0	0	112.6	A498 Q499 S504 N577 G580 N582	A498-M502 HydrophobicContact CB-CE 4.38Å; A498-M502 WeakPolarHBondContact O-CB 3.24Å; A498-M502 WeakPolarHBondContact O-CE 3.22Å; A498-M502 WeakPolarHBondContact O-CG 3.41Å; A498-M502 PolarHBondContact O-N 2.62Å; Q499-M502 PolarHBondContact O-N 2.69Å; M502-S504 VanDerWaalsContact C-N 3.29Å; M502-S504 PolarHBondContact O-N 3.33Å; M502-N577 PolarHBondContact O-ND2 3.22Å; M502-G580 WeakPolarHBondContact O-CA 3.25Å; M502-N582 VanDerWaalsContact SD-C 3.55Å
503	E	84.4	Confident	86.8	Confident	115 Å²	115	49.9 Å²	49.9	54%	0.537	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.5	173.4	-67.7	178.2	-164.9	0	0	113.6	Q499 W501	Q499-E503 HydrophobicContact CG-CG 4.38Å; Q499-E503 VanDerWaalsContact CG-OE1 3.25Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.4Å; Q499-E503 PolarHBondContact NE2-OE1 3.17Å; Q499-E503 WeakPolarHBondContact O-CB 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.37Å; Q499-E503 PolarHBondContact O-N 3.19Å; W501-E503 VanDerWaalsContact C-N 3.34Å; W501-E503 PolarHBondContact O-N 2.92Å
504	S	90.1	Very high	87.4	Confident	22 Å²	22	45.2 Å²	45.2	15%	0.154	23%	0.226	C	C	.	.	S	Bend	trans	-72.6	148.9	-176.4	74.6	0	0	0	0	113.6	L500 W501 M502 H506 C507 Q508	L500-S504 VanDerWaalsContact O-CB 3.29Å; L500-S504 WeakPolarHBondContact O-CB 3.06Å; L500-S504 PolarHBondContact O-N 3.42Å; W501-S504 VanDerWaalsContact O-CB 3.27Å; W501-S504 WeakPolarHBondContact O-CB 3.32Å; W501-S504 PolarHBondContact O-N 3.31Å; W501-S504 PolarHBondContact O-OG 3.12Å; M502-S504 VanDerWaalsContact C-N 3.29Å; M502-S504 PolarHBondContact O-N 3.33Å; S504-H506 PolarHBondContact O-N 3.4Å; S504-H506 PolarHBondContact OG-N 2.94Å; S504-C507 PolarHBondContact O-N 3.23Å; S504-C507 PolarHBondContact OG-N 3.25Å; S504-C507 VanDerWaalsContact OG-N 3.08Å; S504-Q508 WeakPolarHBondContact O-CG 3.16Å; S504-Q508 PolarHBondContact O-N 3.13Å
505	T	89	Confident	87.8	Confident	85 Å²	85	45.2 Å²	45.2	52%	0.521	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-24.6	167	52.2	0	0	0	0	112.6	L509	T505-L509 WeakPolarHBondContact O-CB 3.26Å; T505-L509 VanDerWaalsContact O-CG 3.23Å; T505-L509 WeakPolarHBondContact O-CG 3.39Å; T505-L509 PolarHBondContact O-N 3.09Å
506	H	91.8	Very high	88.6	Confident	116 Å²	116	44.4 Å²	44.4	54%	0.537	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-50.7	175.1	-62	-61.5	0	0	0	111.4	W501 S504 Q508 L509 V510	W501-H506 HydrophobicContact CZ3-CB 3.87Å; S504-H506 PolarHBondContact O-N 3.4Å; S504-H506 PolarHBondContact OG-N 2.94Å; H506-Q508 VanDerWaalsContact C-N 3.31Å; H506-Q508 PolarHBondContact O-N 3.03Å; H506-L509 PolarHBondContact O-N 3Å; H506-V510 WeakPolarHBondContact O-CB 3.43Å; H506-V510 WeakPolarHBondContact O-CG2 3.19Å; H506-V510 PolarHBondContact O-N 3Å
507	C	91.6	Very high	89.5	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-44.5	175.6	179.4	0	0	0	0	111.2	W501 S504 L509 V510 G511 C585	W501-C507 HydrophobicContact CD2-CB 4.31Å; W501-C507 HydrophobicContact CH2-CB 4.44Å; W501-C507 HydrophobicContact CZ2-CB 4.19Å; W501-C507 WeakPolarHBondContact O-CB 3.15Å; S504-C507 PolarHBondContact O-N 3.23Å; S504-C507 PolarHBondContact OG-N 3.25Å; S504-C507 VanDerWaalsContact OG-N 3.08Å; C507-L509 PolarHBondContact O-N 2.69Å; C507-V510 PolarHBondContact O-N 3.25Å; C507-G511 PolarHBondContact O-N 3.28Å; C507-C585 WeakPolarHBondContact CA-SG 3.43Å; C507-C585 HydrophobicContact CB-CB 4.18Å; C507-C585 WeakPolarHBondContact CB-SG 3.34Å; C507-C585 WeakPolarHBondContact O-CB 3.33Å; C507-C585 WeakPolarHBondContact SG-CB 3.42Å; C507-C585 CovalentContact SG-SG 2.03Å; C507-C585 PolarHBondContact SG-SG 2.96Å
508	Q	91.6	Very high	89.9	Confident	27 Å²	27	35 Å²	35	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-43.2	177	-72.4	175.3	-1.8	0	0	113.9	S504 H506 S512 L569 N577	S504-Q508 WeakPolarHBondContact O-CG 3.16Å; S504-Q508 PolarHBondContact O-N 3.13Å; H506-Q508 VanDerWaalsContact C-N 3.31Å; H506-Q508 PolarHBondContact O-N 3.03Å; Q508-S512 PolarHBondContact O-N 3.01Å; Q508-S512 PolarHBondContact O-OG 3.15Å; Q508-L569 HydrophobicContact CB-CD2 3.77Å; Q508-L569 HydrophobicContact CG-CD2 4.26Å; Q508-N577 PolarHBondContact NE2-OD1 3.09Å
509	L	92.8	Very high	90.4	Very high	93 Å²	93	35.1 Å²	35.1	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-73.4	-32.5	177.6	-71.9	170.3	0	0	0	113	T505 H506 C507 S512 L513 F566	T505-L509 WeakPolarHBondContact O-CB 3.26Å; T505-L509 VanDerWaalsContact O-CG 3.23Å; T505-L509 WeakPolarHBondContact O-CG 3.39Å; T505-L509 PolarHBondContact O-N 3.09Å; H506-L509 PolarHBondContact O-N 3Å; C507-L509 PolarHBondContact O-N 2.69Å; L509-S512 PolarHBondContact O-OG 3.08Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 PolarHBondContact O-N 3.42Å; L509-F566 HydrophobicContact CD2-CE1 4.14Å
510	V	93.6	Very high	91.2	Very high	15 Å²	15	32.7 Å²	32.7	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-41.5	174.9	169	0	0	0	0	110.1	Y479 V482 I483 H506 C507 L513 A514	Y479-V510 HydrophobicContact CD2-CG1 3.47Å; Y479-V510 VanDerWaalsContact CD2-CG1 3.47Å; Y479-V510 WeakPolarHBondContact CD2-O 3.28Å; Y479-V510 HydrophobicContact CE2-CG1 3.85Å; V482-V510 HydrophobicContact CB-CG2 4.35Å; V482-V510 HydrophobicContact CG1-CG1 4.43Å; V482-V510 HydrophobicContact CG1-CG2 3.59Å; I483-V510 HydrophobicContact CD1-CG1 3.9Å; I483-V510 HydrophobicContact CG1-CG1 4.27Å; H506-V510 WeakPolarHBondContact O-CB 3.43Å; H506-V510 WeakPolarHBondContact O-CG2 3.19Å; H506-V510 PolarHBondContact O-N 3Å; C507-V510 PolarHBondContact O-N 3.25Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 3.01Å; V510-A514 PolarHBondContact O-N 3.47Å
511	G	92.4	Very high	91.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-43.3	174	0	0	0	0	0	114.1	C507 L513 A514 I515 Y579 C585	C507-G511 PolarHBondContact O-N 3.28Å; G511-L513 VanDerWaalsContact C-N 3.31Å; G511-L513 PolarHBondContact O-N 3.43Å; G511-A514 PolarHBondContact O-N 3.33Å; G511-I515 PolarHBondContact O-N 3.47Å; G511-I515 VanDerWaalsContact O-N 3.15Å; G511-Y579 VanDerWaalsContact C-CD1 3.49Å; G511-Y579 VanDerWaalsContact C-CE1 3.47Å; G511-Y579 WeakPolarHBondContact O-CE1 3.33Å; G511-C585 WeakPolarHBondContact CA-O 3.16Å
512	S	93.4	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-34.7	175.3	69.7	0	0	0	0	112.2	Q508 L509 A514 I515 L516 A565	Q508-S512 PolarHBondContact O-N 3.01Å; Q508-S512 PolarHBondContact O-OG 3.15Å; L509-S512 PolarHBondContact O-OG 3.08Å; S512-A514 VanDerWaalsContact C-N 3.34Å; S512-A514 PolarHBondContact O-N 2.84Å; S512-I515 PolarHBondContact O-N 3.29Å; S512-L516 WeakPolarHBondContact O-CB 3.49Å; S512-L516 PolarHBondContact O-N 3.24Å; S512-A565 WeakPolarHBondContact CB-O 3.37Å; S512-A565 WeakPolarHBondContact O-CB 3.41Å
513	L	94.3	Very high	92	Very high	39 Å²	39	28.1 Å²	28.1	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-40	173.3	-171.7	66.7	0	0	0	112.4	L475 I478 L509 V510 G511 S517	L475-L513 HydrophobicContact CB-CD1 3.97Å; L475-L513 HydrophobicContact CB-CG 4.22Å; L475-L513 HydrophobicContact CD1-CD1 4.21Å; L475-L513 HydrophobicContact CD2-CD1 4.04Å; L475-L513 HydrophobicContact CG-CD1 4.27Å; I478-L513 HydrophobicContact CB-CD2 4.4Å; I478-L513 HydrophobicContact CG2-CD2 3.97Å; L509-L513 WeakPolarHBondContact O-CB 3.34Å; L509-L513 PolarHBondContact O-N 3.42Å; V510-L513 WeakPolarHBondContact O-CB 3.43Å; V510-L513 PolarHBondContact O-N 3.01Å; G511-L513 VanDerWaalsContact C-N 3.31Å; G511-L513 PolarHBondContact O-N 3.43Å; L513-S517 WeakPolarHBondContact O-CB 3.39Å; L513-S517 PolarHBondContact O-N 3.31Å
514	A	93.6	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-48.2	177	0	0	0	0	0	111.9	M476 Y479 V510 G511 S512 S517 T518 F586	M476-A514 HydrophobicContact CE-CB 4.27Å; Y479-A514 HydrophobicContact CD1-CB 4.16Å; Y479-A514 HydrophobicContact CD2-CB 3.66Å; Y479-A514 HydrophobicContact CE1-CB 4.25Å; Y479-A514 HydrophobicContact CE2-CB 3.77Å; Y479-A514 HydrophobicContact CG-CB 3.86Å; V510-A514 PolarHBondContact O-N 3.47Å; G511-A514 PolarHBondContact O-N 3.33Å; S512-A514 VanDerWaalsContact C-N 3.34Å; S512-A514 PolarHBondContact O-N 2.84Å; A514-S517 WeakPolarHBondContact O-CB 3.17Å; A514-S517 PolarHBondContact O-N 2.8Å; A514-T518 PolarHBondContact O-N 3.19Å; A514-T518 PolarHBondContact O-OG1 3.48Å; A514-F586 HydrophobicContact CB-CD2 3.77Å; A514-F586 HydrophobicContact CB-CE2 3.92Å
515	I	92.6	Very high	92.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63	-41.8	176	-65.4	-60.1	0	0	0	111.5	G511 S512 S517 T518 E519 V564 A565 Y579 F586 P587 F606	G511-I515 PolarHBondContact O-N 3.47Å; G511-I515 VanDerWaalsContact O-N 3.15Å; S512-I515 PolarHBondContact O-N 3.29Å; I515-S517 PolarHBondContact O-N 3.45Å; I515-T518 PolarHBondContact O-N 3.5Å; I515-T518 PolarHBondContact O-OG1 3.22Å; I515-E519 HydrophobicContact CG2-CG 3.88Å; I515-E519 WeakPolarHBondContact O-CB 3.19Å; I515-E519 VanDerWaalsContact O-CG 3.3Å; I515-E519 WeakPolarHBondContact O-CG 3.38Å; I515-E519 PolarHBondContact O-N 3.43Å; I515-V564 HydrophobicContact CG2-CG1 4.2Å; I515-A565 HydrophobicContact CG2-CB 4.35Å; I515-Y579 HydrophobicContact CG1-CE1 3.75Å; I515-F586 HydrophobicContact CD1-CE2 3.75Å; I515-F586 HydrophobicContact CD1-CZ 3.74Å; I515-F586 HydrophobicContact CG1-CE2 4.49Å; I515-P587 HydrophobicContact CD1-CG 4.18Å; I515-P587 HydrophobicContact CG1-CG 4.36Å; I515-F606 HydrophobicContact CD1-CE1 4.5Å; I515-F606 HydrophobicContact CD1-CE2 4.41Å; I515-F606 HydrophobicContact CD1-CZ 3.7Å
516	L	95.1	Very high	92.2	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.073	10%	0.098	C	C	.	.	H	α-helix	trans	-56.6	-43.8	175.4	178.4	61.5	0	0	0	110.9	L475 S512 V520 W558 G561 F562 A565 F566	L475-L516 HydrophobicContact CD1-CD2 4.05Å; L475-L516 HydrophobicContact CD1-CG 4.28Å; S512-L516 WeakPolarHBondContact O-CB 3.49Å; S512-L516 PolarHBondContact O-N 3.24Å; L516-V520 HydrophobicContact CD1-CG2 3.81Å; L516-V520 WeakPolarHBondContact O-CB 3.37Å; L516-V520 WeakPolarHBondContact O-CG2 3.32Å; L516-V520 PolarHBondContact O-N 3.49Å; L516-W558 HydrophobicContact CD1-CE3 4.47Å; L516-W558 HydrophobicContact CD1-CZ3 4.45Å; L516-W558 HydrophobicContact CD2-CZ3 4.42Å; L516-W558 HydrophobicContact CG-CZ3 4.39Å; L516-G561 VanDerWaalsContact CD1-C 3.43Å; L516-F562 HydrophobicContact CD1-CB 4.41Å; L516-A565 HydrophobicContact CB-CB 3.69Å; L516-A565 HydrophobicContact CD1-CB 4.38Å; L516-F566 HydrophobicContact CD2-CE2 4.44Å
517	S	94.4	Very high	92.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.4	-49.9	178.6	-171.8	0	0	0	0	112.5	A472 M476 L513 A514 I515 S521	A472-S517 PolarHBondContact O-OG 2.95Å; M476-S517 WeakPolarHBondContact CB-OG 3.3Å; M476-S517 PolarHBondContact N-OG 3.27Å; M476-S517 VanDerWaalsContact N-OG 3.13Å; L513-S517 WeakPolarHBondContact O-CB 3.39Å; L513-S517 PolarHBondContact O-N 3.31Å; A514-S517 WeakPolarHBondContact O-CB 3.17Å; A514-S517 PolarHBondContact O-N 2.8Å; I515-S517 PolarHBondContact O-N 3.45Å; S517-S521 VanDerWaalsContact O-CB 3.28Å; S517-S521 WeakPolarHBondContact O-CB 3.48Å; S517-S521 PolarHBondContact O-N 3.45Å; S517-S521 PolarHBondContact O-OG 3.41Å; S517-S521 VanDerWaalsContact O-OG 3.13Å
518	T	91	Very high	91.8	Very high	10 Å²	10	15 Å²	15	6%	0.061	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-50.6	-178	55.8	0	0	0	0	112.4	M476 A514 I515 S521 V522 L692	M476-T518 HydrophobicContact CE-CG2 3.58Å; A514-T518 PolarHBondContact O-N 3.19Å; A514-T518 PolarHBondContact O-OG1 3.48Å; I515-T518 PolarHBondContact O-N 3.5Å; I515-T518 PolarHBondContact O-OG1 3.22Å; T518-S521 PolarHBondContact O-N 2.93Å; T518-V522 WeakPolarHBondContact O-CG2 3.23Å; T518-V522 PolarHBondContact O-N 3.36Å; T518-L692 HydrophobicContact CG2-CD1 3.99Å; T518-L692 HydrophobicContact CG2-CD2 3.62Å; T518-L692 HydrophobicContact CG2-CG 3.94Å
519	E	91.8	Very high	91.4	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-68.8	-40.8	-173.1	-61.1	-54.5	118.1	0	0	111.3	I515 V522 L523 V564 I605 N610	I515-E519 HydrophobicContact CG2-CG 3.88Å; I515-E519 WeakPolarHBondContact O-CB 3.19Å; I515-E519 VanDerWaalsContact O-CG 3.3Å; I515-E519 WeakPolarHBondContact O-CG 3.38Å; I515-E519 PolarHBondContact O-N 3.43Å; E519-V522 PolarHBondContact O-N 2.91Å; E519-L523 WeakPolarHBondContact O-CB 3.5Å; E519-L523 VanDerWaalsContact O-CG 3.27Å; E519-L523 WeakPolarHBondContact O-CG 3.25Å; E519-L523 PolarHBondContact O-N 3.3Å; E519-V564 HydrophobicContact CG-CG1 4.14Å; E519-I605 VanDerWaalsContact CD-CG2 3.41Å; E519-I605 HydrophobicContact CG-CG2 4.16Å; E519-I605 WeakPolarHBondContact OE2-CG2 2.99Å; E519-N610 PolarHBondContact OE1-ND2 2.91Å; E519-N610 PolarHBondContact OE2-ND2 2.94Å; E519-N610 PolarHBondContact OE2-OD1 3.07Å
520	V	94.4	Very high	91.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.6	-41.9	173.8	173.3	0	0	0	0	110.7	A472 L516 L523 L524 I557 W558	A472-V520 HydrophobicContact CB-CB 4.19Å; A472-V520 HydrophobicContact CB-CG1 3.76Å; L516-V520 HydrophobicContact CD1-CG2 3.81Å; L516-V520 WeakPolarHBondContact O-CB 3.37Å; L516-V520 WeakPolarHBondContact O-CG2 3.32Å; L516-V520 PolarHBondContact O-N 3.49Å; V520-L523 PolarHBondContact O-N 2.88Å; V520-L524 HydrophobicContact CG1-CD1 3.65Å; V520-L524 HydrophobicContact CG1-CG 4.08Å; V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 2.6Å; V520-I557 HydrophobicContact CG1-CG2 4.23Å; V520-W558 HydrophobicContact CG1-CD2 4.01Å; V520-W558 HydrophobicContact CG1-CE3 4.26Å; V520-W558 HydrophobicContact CG1-CH2 4.25Å; V520-W558 HydrophobicContact CG1-CZ2 4Å; V520-W558 HydrophobicContact CG1-CZ3 4.37Å; V520-W558 HydrophobicContact CG2-CD2 4.49Å; V520-W558 HydrophobicContact CG2-CE3 4.15Å; V520-W558 HydrophobicContact CG2-CZ3 4.43Å
521	S	91.9	Very high	90.5	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.063	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-44.8	177.2	-75.3	0	0	0	0	112.2	A472 D473 S517 T518 L524 L525	A472-S521 WeakPolarHBondContact CB-OG 3.21Å; D473-S521 PolarHBondContact OD1-OG 3.09Å; D473-S521 VanDerWaalsContact OD1-OG 3.1Å; S517-S521 VanDerWaalsContact O-CB 3.28Å; S517-S521 WeakPolarHBondContact O-CB 3.48Å; S517-S521 PolarHBondContact O-N 3.45Å; S517-S521 PolarHBondContact O-OG 3.41Å; S517-S521 VanDerWaalsContact O-OG 3.13Å; T518-S521 PolarHBondContact O-N 2.93Å; S521-L524 PolarHBondContact O-N 3.48Å; S521-L525 WeakPolarHBondContact O-CB 3.26Å; S521-L525 VanDerWaalsContact O-CG 3.24Å; S521-L525 WeakPolarHBondContact O-CG 3.2Å; S521-L525 PolarHBondContact O-N 3.47Å
522	V	90.1	Very high	89.8	Confident	6 Å²	6	14.2 Å²	14.2	4%	0.036	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-46.7	175.7	174.6	0	0	0	0	111.6	T518 E519 L524 L525 T526 N610 A613 W663	T518-V522 WeakPolarHBondContact O-CG2 3.23Å; T518-V522 PolarHBondContact O-N 3.36Å; E519-V522 PolarHBondContact O-N 2.91Å; V522-L524 VanDerWaalsContact C-N 3.35Å; V522-L524 PolarHBondContact O-N 3.24Å; V522-L525 WeakPolarHBondContact O-CB 3.3Å; V522-L525 PolarHBondContact O-N 2.74Å; V522-T526 WeakPolarHBondContact O-CG2 3.24Å; V522-T526 PolarHBondContact O-N 3.14Å; V522-N610 WeakPolarHBondContact CG1-OD1 3.45Å; V522-A613 HydrophobicContact CG1-CB 3.45Å; V522-A613 VanDerWaalsContact CG1-CB 3.45Å; V522-W663 HydrophobicContact CG2-CH2 3.79Å; V522-W663 HydrophobicContact CG2-CZ2 3.15Å
523	L	92	Very high	89.3	Confident	37 Å²	37	15.8 Å²	15.8	19%	0.194	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-37.3	178.6	-68.8	174.5	0	0	0	112.2	E519 V520 T526 F527 I557 T560 I609	E519-L523 WeakPolarHBondContact O-CB 3.5Å; E519-L523 VanDerWaalsContact O-CG 3.27Å; E519-L523 WeakPolarHBondContact O-CG 3.25Å; E519-L523 PolarHBondContact O-N 3.3Å; V520-L523 PolarHBondContact O-N 2.88Å; L523-T526 PolarHBondContact O-OG1 2.91Å; L523-F527 WeakPolarHBondContact O-CB 3.3Å; L523-F527 PolarHBondContact O-N 2.64Å; L523-I557 HydrophobicContact CB-CG1 4.35Å; L523-I557 HydrophobicContact CB-CG2 3.59Å; L523-I557 HydrophobicContact CD1-CG2 4.29Å; L523-T560 HydrophobicContact CD1-CG2 4.28Å; L523-I609 HydrophobicContact CD2-CG2 4.48Å
524	L	91.1	Very high	88.6	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-38.3	173.4	-72.4	174.9	0	0	0	112.3	L469 A472 V520 S521 V522 F527 L528 L554 I557	L469-L524 HydrophobicContact CB-CD1 4.35Å; L469-L524 HydrophobicContact CD1-CB 4.14Å; A472-L524 HydrophobicContact CB-CD1 4.4Å; V520-L524 HydrophobicContact CG1-CD1 3.65Å; V520-L524 HydrophobicContact CG1-CG 4.08Å; V520-L524 WeakPolarHBondContact O-CB 3.39Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 2.6Å; S521-L524 PolarHBondContact O-N 3.48Å; V522-L524 VanDerWaalsContact C-N 3.35Å; V522-L524 PolarHBondContact O-N 3.24Å; L524-F527 PolarHBondContact O-N 2.95Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 VanDerWaalsContact O-CG 3.27Å; L524-L528 WeakPolarHBondContact O-CG 3.39Å; L524-L528 PolarHBondContact O-N 3.03Å; L524-L554 HydrophobicContact CD2-CD2 3.33Å; L524-I557 HydrophobicContact CD2-CD1 4.1Å; L524-I557 HydrophobicContact CD2-CG2 4.15Å; L524-I557 HydrophobicContact CG-CG2 4.09Å
525	L	87	Confident	87.7	Confident	10 Å²	10	19.3 Å²	19.3	5%	0.052	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-56.5	172.3	-71.9	169.5	0	0	0	109.9	L469 S521 V522 F527 L528 T529 Y703	L469-L525 HydrophobicContact CD1-CG 4.31Å; L469-L525 HydrophobicContact CD2-CD2 3.94Å; S521-L525 WeakPolarHBondContact O-CB 3.26Å; S521-L525 VanDerWaalsContact O-CG 3.24Å; S521-L525 WeakPolarHBondContact O-CG 3.2Å; S521-L525 PolarHBondContact O-N 3.47Å; V522-L525 WeakPolarHBondContact O-CB 3.3Å; V522-L525 PolarHBondContact O-N 2.74Å; L525-F527 PolarHBondContact O-N 3.2Å; L525-F527 VanDerWaalsContact O-N 3.14Å; L525-L528 WeakPolarHBondContact O-CA 3.27Å; L525-L528 WeakPolarHBondContact O-CB 3.39Å; L525-L528 PolarHBondContact O-N 3.25Å; L525-T529 VanDerWaalsContact O-CG2 3.31Å; L525-T529 WeakPolarHBondContact O-CG2 3.2Å; L525-T529 PolarHBondContact O-N 3.1Å; L525-Y703 HydrophobicContact CD2-CE2 4.12Å; L525-Y703 WeakPolarHBondContact CD2-OH 3.39Å
526	T	89.6	Confident	86.7	Confident	17 Å²	17	22 Å²	22	10%	0.104	12%	0.115	C	C	.	.	H	α-helix	trans	-54	-38.4	178.2	63.1	0	0	0	0	113.1	V522 L523 T529 L530 A613 I617	V522-T526 WeakPolarHBondContact O-CG2 3.24Å; V522-T526 PolarHBondContact O-N 3.14Å; L523-T526 PolarHBondContact O-OG1 2.91Å; T526-T529 WeakPolarHBondContact CA-OG1 3.32Å; T526-T529 PolarHBondContact O-N 3.14Å; T526-T529 PolarHBondContact O-OG1 3.34Å; T526-L530 WeakPolarHBondContact O-CB 3.41Å; T526-L530 VanDerWaalsContact O-CG 3.29Å; T526-L530 WeakPolarHBondContact O-CG 3.5Å; T526-L530 PolarHBondContact O-N 3.02Å; T526-A613 HydrophobicContact CG2-CB 3.4Å; T526-A613 VanDerWaalsContact CG2-CB 3.4Å; T526-I617 HydrophobicContact CG2-CD1 3.75Å; T526-I617 HydrophobicContact CG2-CG1 3.91Å
527	F	89.8	Confident	85.8	Confident	30 Å²	30	22.9 Å²	22.9	13%	0.132	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-45.9	175.9	175.3	-110.8	0	0	0	112.2	L523 L524 L525 T529 L530 E531 T550 V553 L554 I557	L523-F527 WeakPolarHBondContact O-CB 3.3Å; L523-F527 PolarHBondContact O-N 2.64Å; L524-F527 PolarHBondContact O-N 2.95Å; L525-F527 PolarHBondContact O-N 3.2Å; L525-F527 VanDerWaalsContact O-N 3.14Å; F527-T529 VanDerWaalsContact C-N 3.3Å; F527-T529 PolarHBondContact O-N 3.27Å; F527-L530 PolarHBondContact O-N 2.99Å; F527-E531 WeakPolarHBondContact O-CB 3.32Å; F527-E531 PolarHBondContact O-N 3.16Å; F527-T550 HydrophobicContact CE1-CG2 4.15Å; F527-T550 HydrophobicContact CZ-CG2 4.11Å; F527-V553 HydrophobicContact CD2-CG1 3.64Å; F527-V553 HydrophobicContact CE2-CB 4.24Å; F527-V553 HydrophobicContact CE2-CG1 3.67Å; F527-V553 HydrophobicContact CG-CG1 4.2Å; F527-V553 HydrophobicContact CZ-CG1 4.23Å; F527-L554 HydrophobicContact CD1-CD2 4.34Å; F527-L554 HydrophobicContact CE1-CD2 4.37Å; F527-I557 HydrophobicContact CB-CD1 3.99Å; F527-I557 HydrophobicContact CG-CD1 4.32Å
528	L	84.9	Confident	85	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.3	-73.7	168.1	0	0	0	111.7	Y462 I466 L469 L524 L525 K532	Y462-L528 HydrophobicContact CD2-CD2 3.96Å; Y462-L528 HydrophobicContact CE2-CD2 3.85Å; I466-L528 HydrophobicContact CG1-CD1 4.22Å; I466-L528 HydrophobicContact CG1-CD2 4.25Å; L469-L528 HydrophobicContact CD2-CD1 4.17Å; L524-L528 WeakPolarHBondContact O-CB 3.47Å; L524-L528 VanDerWaalsContact O-CG 3.27Å; L524-L528 WeakPolarHBondContact O-CG 3.39Å; L524-L528 PolarHBondContact O-N 3.03Å; L525-L528 WeakPolarHBondContact O-CA 3.27Å; L525-L528 WeakPolarHBondContact O-CB 3.39Å; L525-L528 PolarHBondContact O-N 3.25Å; L528-K532 WeakPolarHBondContact O-CG 3.44Å; L528-K532 PolarHBondContact O-N 2.95Å
529	T	84.3	Confident	83.8	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-70.7	-43	179.7	64.7	0	0	0	0	111.6	L525 T526 F527 K532 Y533 I617 Y621	L525-T529 VanDerWaalsContact O-CG2 3.31Å; L525-T529 WeakPolarHBondContact O-CG2 3.2Å; L525-T529 PolarHBondContact O-N 3.1Å; T526-T529 WeakPolarHBondContact CA-OG1 3.32Å; T526-T529 PolarHBondContact O-N 3.14Å; T526-T529 PolarHBondContact O-OG1 3.34Å; F527-T529 VanDerWaalsContact C-N 3.3Å; F527-T529 PolarHBondContact O-N 3.27Å; T529-K532 PolarHBondContact O-N 2.92Å; T529-Y533 WeakPolarHBondContact O-CB 3.3Å; T529-Y533 PolarHBondContact O-N 2.8Å; T529-I617 HydrophobicContact CG2-CG1 4.09Å; T529-I617 HydrophobicContact CG2-CG2 4.33Å; T529-Y621 HydrophobicContact CG2-CD2 4.29Å; T529-Y621 HydrophobicContact CG2-CE2 3.25Å
530	L	85.8	Confident	82.2	Confident	63 Å²	63	40.8 Å²	40.8	33%	0.33	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-40	175.9	-75.3	170.4	0	0	0	112.4	T526 F527 K532 Y533 I534 I616	T526-L530 WeakPolarHBondContact O-CB 3.41Å; T526-L530 VanDerWaalsContact O-CG 3.29Å; T526-L530 WeakPolarHBondContact O-CG 3.5Å; T526-L530 PolarHBondContact O-N 3.02Å; F527-L530 PolarHBondContact O-N 2.99Å; L530-K532 VanDerWaalsContact C-N 3.31Å; L530-K532 PolarHBondContact O-N 3.39Å; L530-Y533 PolarHBondContact O-N 3.07Å; L530-I534 WeakPolarHBondContact O-CG1 3.41Å; L530-I534 PolarHBondContact O-N 3.32Å; L530-I616 HydrophobicContact CD1-CG2 4.05Å; L530-I616 HydrophobicContact CD2-CG2 3.87Å; L530-I616 HydrophobicContact CG-CG2 4Å
531	E	81.7	Confident	80.5	Confident	18 Å²	18	49.3 Å²	49.3	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-46.1	174.7	-168	-154.1	-157	0	0	110.8	F527 C535 P545	F527-E531 WeakPolarHBondContact O-CB 3.32Å; F527-E531 PolarHBondContact O-N 3.16Å; E531-C535 PolarHBondContact O-N 3.12Å; E531-C535 PolarHBondContact O-SG 3.4Å; E531-P545 HydrophobicContact CG-CG 4.23Å
532	K	78	Confident	78.7	Confident	32 Å²	32	55.2 Å²	55.2	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-70.4	-41.2	178.7	-62.3	-50.6	175	-134.2	0	112.9	L528 T529 L530 I534 C535 I536 M624 F652	L528-K532 WeakPolarHBondContact O-CG 3.44Å; L528-K532 PolarHBondContact O-N 2.95Å; T529-K532 PolarHBondContact O-N 2.92Å; L530-K532 VanDerWaalsContact C-N 3.31Å; L530-K532 PolarHBondContact O-N 3.39Å; K532-I534 PolarHBondContact O-N 2.82Å; K532-C535 PolarHBondContact O-N 3.23Å; K532-I536 HydrophobicContact CB-CD1 4.4Å; K532-I536 WeakPolarHBondContact O-CB 3.45Å; K532-I536 WeakPolarHBondContact O-CG1 3.22Å; K532-I536 PolarHBondContact O-N 3.35Å; K532-M624 HydrophobicContact CB-CE 3.73Å; K532-F652 HydrophobicContact CG-CZ 4.29Å
533	Y	81.4	Confident	77.3	Confident	33 Å²	33	58.2 Å²	58.2	13%	0.129	30%	0.296	C	S	.	.	H	α-helix	trans	-54.9	-51.8	176.5	167	-105.7	0	0	0	111.5	T529 L530 C535 I536 V537 Y538 S620	T529-Y533 WeakPolarHBondContact O-CB 3.3Å; T529-Y533 PolarHBondContact O-N 2.8Å; L530-Y533 PolarHBondContact O-N 3.07Å; Y533-C535 VanDerWaalsContact C-N 3.32Å; Y533-C535 PolarHBondContact O-N 3.02Å; Y533-I536 PolarHBondContact O-N 2.9Å; Y533-V537 HydrophobicContact CD2-CB 4.32Å; Y533-V537 HydrophobicContact CD2-CG2 3.65Å; Y533-V537 HydrophobicContact CE2-CB 4.01Å; Y533-V537 HydrophobicContact CE2-CG1 4.22Å; Y533-V537 HydrophobicContact CE2-CG2 3.58Å; Y533-V537 WeakPolarHBondContact O-CB 3.23Å; Y533-V537 PolarHBondContact O-N 3.16Å; Y533-Y538 HydrophobicContact CE1-CE2 4.24Å; Y533-S620 WeakPolarHBondContact CD2-O 3.19Å
534	I	80.3	Confident	76	Confident	60 Å²	60	64.4 Å²	64.4	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-43.5	178.8	-65.7	167.4	0	0	0	111.1	L530 K532 I536 Y538	L530-I534 WeakPolarHBondContact O-CG1 3.41Å; L530-I534 PolarHBondContact O-N 3.32Å; K532-I534 PolarHBondContact O-N 2.82Å; I534-I536 PolarHBondContact O-N 2.97Å; I534-Y538 PolarHBondContact O-N 2.79Å
535	C	73.9	Confident	74.8	Confident	53 Å²	53	65 Å²	65	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-68.2	-30.2	-178.6	-65.7	0	0	0	0	114.1	E531 K532 Y533	E531-C535 PolarHBondContact O-N 3.12Å; E531-C535 PolarHBondContact O-SG 3.4Å; K532-C535 PolarHBondContact O-N 3.23Å; Y533-C535 VanDerWaalsContact C-N 3.32Å; Y533-C535 PolarHBondContact O-N 3.02Å
536	I	72.2	Confident	74.2	Confident	57 Å²	57	66.7 Å²	66.7	29%	0.292	34%	0.34	S	S	.	.	H	α-helix	trans	-92.1	-43.6	-175.1	-68.2	165.5	0	0	0	111.2	K532 Y533 I534 M624 V628	K532-I536 HydrophobicContact CB-CD1 4.4Å; K532-I536 WeakPolarHBondContact O-CB 3.45Å; K532-I536 WeakPolarHBondContact O-CG1 3.22Å; K532-I536 PolarHBondContact O-N 3.35Å; Y533-I536 PolarHBondContact O-N 2.9Å; I534-I536 PolarHBondContact O-N 2.97Å; I536-M624 HydrophobicContact CB-CG 4.21Å; I536-M624 HydrophobicContact CD1-CE 4.12Å; I536-M624 HydrophobicContact CD1-CG 3.73Å; I536-M624 HydrophobicContact CD1-SD 3.53Å; I536-M624 VanDerWaalsContact CD1-SD 3.53Å; I536-M624 HydrophobicContact CG2-CG 3.89Å; I536-V628 HydrophobicContact CG2-CG2 3.88Å
537	V	77.2	Confident	73.8	Confident	34 Å²	34	72.7 Å²	72.7	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-82	-27.2	-174.8	179.6	0	0	0	0	112.4	Y533 P539	Y533-V537 HydrophobicContact CD2-CB 4.32Å; Y533-V537 HydrophobicContact CD2-CG2 3.65Å; Y533-V537 HydrophobicContact CE2-CB 4.01Å; Y533-V537 HydrophobicContact CE2-CG1 4.22Å; Y533-V537 HydrophobicContact CE2-CG2 3.58Å; Y533-V537 WeakPolarHBondContact O-CB 3.23Å; Y533-V537 PolarHBondContact O-N 3.16Å; V537-P539 WeakPolarHBondContact O-CD 3.35Å
538	Y	76.1	Confident	73.6	Confident	101 Å²	101	76 Å²	76	40%	0.396	39%	0.391	S	S	.	.			trans	-123.5	59.2	-179.4	-57.6	-73.6	0	0	0	113.2	Y533 I534 F540 R541	Y533-Y538 HydrophobicContact CE1-CE2 4.24Å; I534-Y538 PolarHBondContact O-N 2.79Å; Y538-F540 PolarHBondContact O-N 3.14Å; Y538-F540 VanDerWaalsContact O-N 3.09Å; Y538-R541 PolarHBondContact O-N 3.03Å; Y538-R541 VanDerWaalsContact O-N 3.11Å
539	P	66.3	Low	73.6	Confident	87 Å²	87	81.7 Å²	81.7	57%	0.565	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.6	-172.5	25	-34.8	0	0	0	114.2	V537	V537-P539 WeakPolarHBondContact O-CD 3.35Å
540	F	58.2	Low	73.7	Confident	200 Å²	200	81.6 Å²	81.6	88%	0.877	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-7.5	-179.2	-59	-70.7	0	0	0	114.7	Y538	Y538-F540 PolarHBondContact O-N 3.14Å; Y538-F540 VanDerWaalsContact O-N 3.09Å
541	R	59.4	Low	73.8	Confident	178 Å²	178	82.3 Å²	82.3	67%	0.672	41%	0.414	S	S	*	.	S	Bend	trans	-90.5	108.9	169.5	-76.8	-174.9	167.8	-175.7	-3.8	108.1	Y538 V543	Y538-R541 PolarHBondContact O-N 3.03Å; Y538-R541 VanDerWaalsContact O-N 3.11Å; R541-V543 HydrophobicContact CB-CG2 4.14Å; R541-V543 PolarHBondContact O-N 3.12Å
542	C	52.7	Low	74.2	Confident	133 Å²	133	85.2 Å²	85.2	90%	0.899	43%	0.433	S	S	*	.			trans	-68	53.4	178.5	-78.4	0	0	0	0	114.4	R544	C542-R544 VanDerWaalsContact C-N 3.31Å; C542-R544 PolarHBondContact O-N 2.9Å
543	V	62.6	Low	74.9	Confident	70 Å²	70	85.9 Å²	85.9	42%	0.424	44%	0.44	S	S	.	.			trans	-97.8	27.8	-179.8	-168.9	0	0	0	0	111	R541 R549	R541-V543 HydrophobicContact CB-CG2 4.14Å; R541-V543 PolarHBondContact O-N 3.12Å; V543-R549 PolarHBondContact O-NH2 2.82Å
544	R	63.4	Low	75.4	Confident	166 Å²	166	85.1 Å²	85.1	63%	0.626	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-65	124.9	177.4	-155.3	171.9	-169.5	-177.4	-2.2	109.1	N459 C542 G546	N459-R544 PolarHBondContact OD1-NH2 3.36Å; C542-R544 VanDerWaalsContact C-N 3.31Å; C542-R544 PolarHBondContact O-N 2.9Å; R544-G546 PolarHBondContact O-N 3Å
545	P	65.8	Low	76	Confident	15 Å²	15	86.7 Å²	86.7	10%	0.097	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-63.1	122.4	-177.6	23.9	-32.3	0	0	0	110.9	L461 E531 R549	L461-P545 WeakPolarHBondContact CD1-O 3.2Å; E531-P545 HydrophobicContact CG-CG 4.23Å; P545-R549 VanDerWaalsContact CA-NH2 3.33Å
546	G	75.7	Confident	77	Confident	44 Å²	44	88.7 Å²	88.7	45%	0.454	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-65.5	157.3	170.8	0	0	0	0	0	111.3	R544 C548 R549 T550	R544-G546 PolarHBondContact O-N 3Å; G546-C548 VanDerWaalsContact C-N 3.28Å; G546-C548 PolarHBondContact O-N 3.06Å; G546-C548 VanDerWaalsContact O-N 3.17Å; G546-R549 PolarHBondContact O-N 2.6Å; G546-T550 PolarHBondContact O-N 3.18Å; G546-T550 VanDerWaalsContact O-N 3.08Å; G546-T550 PolarHBondContact O-OG1 2.83Å
547	K	80.8	Confident	78.1	Confident	144 Å²	144	86.9 Å²	86.9	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-49.2	-46.4	-175.8	-178.2	176.2	176.9	-168.6	0	113.1	L461 T550 I551	L461-K547 HydrophobicContact CD2-CB 3.8Å; L461-K547 HydrophobicContact CD2-CG 3.75Å; K547-T550 PolarHBondContact O-N 3.04Å; K547-I551 HydrophobicContact CG-CD1 3.88Å; K547-I551 WeakPolarHBondContact O-CG1 3.48Å; K547-I551 PolarHBondContact O-N 2.98Å; K547-I551 VanDerWaalsContact O-N 3.12Å
548	C	84.5	Confident	79	Confident	99 Å²	99	88.9 Å²	88.9	67%	0.669	45%	0.447	S	S	*	.	H	α-helix	trans	-62.8	-46.9	178.7	-55.4	0	0	0	0	111.7	G546 T550 I551 T552	G546-C548 VanDerWaalsContact C-N 3.28Å; G546-C548 PolarHBondContact O-N 3.06Å; G546-C548 VanDerWaalsContact O-N 3.17Å; C548-T550 VanDerWaalsContact C-N 3.33Å; C548-T550 PolarHBondContact O-N 3.09Å; C548-I551 PolarHBondContact O-N 2.83Å; C548-I551 VanDerWaalsContact O-N 3.15Å; C548-T552 PolarHBondContact O-N 3.48Å; C548-T552 PolarHBondContact O-OG1 2.97Å
549	R	86.1	Confident	79.9	Confident	125 Å²	125	88.2 Å²	88.2	47%	0.472	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-41.9	179.7	-165.8	173.7	84.5	-164.8	4.9	111.9	V543 P545 G546 V553	V543-R549 PolarHBondContact O-NH2 2.82Å; P545-R549 VanDerWaalsContact CA-NH2 3.33Å; G546-R549 PolarHBondContact O-N 2.6Å; R549-V553 WeakPolarHBondContact O-CG2 3.33Å; R549-V553 PolarHBondContact O-N 3.36Å
550	T	85.6	Confident	81.2	Confident	2 Å²	2	87.1 Å²	87.1	1%	0.012	44%	0.442	C	S	.	.	H	α-helix	trans	-61.9	-47.3	175.4	-52.8	0	0	0	0	111.5	F527 G546 K547 C548 V553 L554	F527-T550 HydrophobicContact CE1-CG2 4.15Å; F527-T550 HydrophobicContact CZ-CG2 4.11Å; G546-T550 PolarHBondContact O-N 3.18Å; G546-T550 VanDerWaalsContact O-N 3.08Å; G546-T550 PolarHBondContact O-OG1 2.83Å; K547-T550 PolarHBondContact O-N 3.04Å; C548-T550 VanDerWaalsContact C-N 3.33Å; C548-T550 PolarHBondContact O-N 3.09Å; T550-V553 PolarHBondContact O-N 3.02Å; T550-L554 HydrophobicContact CG2-CD1 4.25Å; T550-L554 WeakPolarHBondContact O-CG 3.28Å; T550-L554 PolarHBondContact O-N 3.22Å
551	I	88	Confident	82.9	Confident	77 Å²	77	77.7 Å²	77.7	40%	0.395	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-43.7	179.7	-67.6	166.8	0	0	0	111	K547 C548 V553 L554 I555	K547-I551 HydrophobicContact CG-CD1 3.88Å; K547-I551 WeakPolarHBondContact O-CG1 3.48Å; K547-I551 PolarHBondContact O-N 2.98Å; K547-I551 VanDerWaalsContact O-N 3.12Å; C548-I551 PolarHBondContact O-N 2.83Å; C548-I551 VanDerWaalsContact O-N 3.15Å; I551-V553 PolarHBondContact O-N 2.78Å; I551-L554 PolarHBondContact O-N 3.39Å; I551-I555 HydrophobicContact CG2-CD1 3.77Å; I551-I555 HydrophobicContact CG2-CG1 4.45Å; I551-I555 WeakPolarHBondContact O-CG1 3.41Å; I551-I555 PolarHBondContact O-N 2.81Å
552	T	90.6	Very high	84.6	Confident	79 Å²	79	74.5 Å²	74.5	49%	0.485	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-44.1	176.3	-54.9	0	0	0	0	111.8	C548 I555 L556	C548-T552 PolarHBondContact O-N 3.48Å; C548-T552 PolarHBondContact O-OG1 2.97Å; T552-I555 PolarHBondContact O-N 2.77Å; T552-L556 HydrophobicContact CG2-CD1 4.15Å; T552-L556 VanDerWaalsContact O-CG 3.31Å; T552-L556 WeakPolarHBondContact O-CG 3.07Å; T552-L556 PolarHBondContact O-N 2.78Å
553	V	91.3	Very high	86.6	Confident	46 Å²	46	72.2 Å²	72.2	28%	0.279	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.2	172.4	0	0	0	0	111.8	F527 R549 T550 I551 I555 L556 I557	F527-V553 HydrophobicContact CD2-CG1 3.64Å; F527-V553 HydrophobicContact CE2-CB 4.24Å; F527-V553 HydrophobicContact CE2-CG1 3.67Å; F527-V553 HydrophobicContact CG-CG1 4.2Å; F527-V553 HydrophobicContact CZ-CG1 4.23Å; R549-V553 WeakPolarHBondContact O-CG2 3.33Å; R549-V553 PolarHBondContact O-N 3.36Å; T550-V553 PolarHBondContact O-N 3.02Å; I551-V553 PolarHBondContact O-N 2.78Å; V553-I555 VanDerWaalsContact C-N 3.35Å; V553-I555 PolarHBondContact O-N 3.3Å; V553-L556 PolarHBondContact O-N 2.98Å; V553-I557 HydrophobicContact CG1-CD1 3.89Å; V553-I557 HydrophobicContact CG1-CG1 4.44Å; V553-I557 WeakPolarHBondContact O-CG1 3.35Å; V553-I557 PolarHBondContact O-N 3.35Å
554	L	92.2	Very high	88	Confident	18 Å²	18	69.8 Å²	69.8	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-43.6	175.7	-68	172.7	0	0	0	111.7	L524 F527 T550 I551 I557 W558	L524-L554 HydrophobicContact CD2-CD2 3.33Å; F527-L554 HydrophobicContact CD1-CD2 4.34Å; F527-L554 HydrophobicContact CE1-CD2 4.37Å; T550-L554 HydrophobicContact CG2-CD1 4.25Å; T550-L554 WeakPolarHBondContact O-CG 3.28Å; T550-L554 PolarHBondContact O-N 3.22Å; I551-L554 PolarHBondContact O-N 3.39Å; L554-I557 PolarHBondContact O-N 2.7Å; L554-W558 VanDerWaalsContact O-CD1 3.31Å; L554-W558 PolarHBondContact O-N 3.26Å; L554-W558 VanDerWaalsContact O-N 3.13Å
555	I	93.9	Very high	89.4	Confident	92 Å²	92	61.9 Å²	61.9	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.3	-69.1	167.6	0	0	0	111	I551 T552 V553 I557 W558 I559	I551-I555 HydrophobicContact CG2-CD1 3.77Å; I551-I555 HydrophobicContact CG2-CG1 4.45Å; I551-I555 WeakPolarHBondContact O-CG1 3.41Å; I551-I555 PolarHBondContact O-N 2.81Å; T552-I555 PolarHBondContact O-N 2.77Å; V553-I555 VanDerWaalsContact C-N 3.35Å; V553-I555 PolarHBondContact O-N 3.3Å; I555-I557 VanDerWaalsContact C-N 3.35Å; I555-I557 PolarHBondContact O-N 2.81Å; I555-W558 PolarHBondContact O-N 2.8Å; I555-I559 HydrophobicContact CG2-CD1 3.74Å; I555-I559 HydrophobicContact CG2-CG1 4.4Å; I555-I559 WeakPolarHBondContact O-CG1 3.31Å; I555-I559 PolarHBondContact O-N 3.03Å
556	L	94.6	Very high	90.6	Very high	96 Å²	96	63.7 Å²	63.7	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-40.1	176.9	-72.6	170.1	0	0	0	112.3	T552 V553 I559 T560	T552-L556 HydrophobicContact CG2-CD1 4.15Å; T552-L556 VanDerWaalsContact O-CG 3.31Å; T552-L556 WeakPolarHBondContact O-CG 3.07Å; T552-L556 PolarHBondContact O-N 2.78Å; V553-L556 PolarHBondContact O-N 2.98Å; L556-I559 PolarHBondContact O-N 3.11Å; L556-T560 WeakPolarHBondContact O-CB 3.07Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.26Å; L556-T560 VanDerWaalsContact O-OG1 3.08Å
557	I	94.9	Very high	91.3	Very high	18 Å²	18	64.8 Å²	64.8	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-45.8	175.5	-70.8	166.1	0	0	0	110.9	V520 L523 L524 F527 V553 L554 I555 T560 G561	V520-I557 HydrophobicContact CG1-CG2 4.23Å; L523-I557 HydrophobicContact CB-CG1 4.35Å; L523-I557 HydrophobicContact CB-CG2 3.59Å; L523-I557 HydrophobicContact CD1-CG2 4.29Å; L524-I557 HydrophobicContact CD2-CD1 4.1Å; L524-I557 HydrophobicContact CD2-CG2 4.15Å; L524-I557 HydrophobicContact CG-CG2 4.09Å; F527-I557 HydrophobicContact CB-CD1 3.99Å; F527-I557 HydrophobicContact CG-CD1 4.32Å; V553-I557 HydrophobicContact CG1-CD1 3.89Å; V553-I557 HydrophobicContact CG1-CG1 4.44Å; V553-I557 WeakPolarHBondContact O-CG1 3.35Å; V553-I557 PolarHBondContact O-N 3.35Å; L554-I557 PolarHBondContact O-N 2.7Å; I555-I557 VanDerWaalsContact C-N 3.35Å; I555-I557 PolarHBondContact O-N 2.81Å; I557-T560 PolarHBondContact O-N 3.21Å; I557-G561 PolarHBondContact O-N 3.36Å
558	W	96.3	Very high	91.7	Very high	76 Å²	76	58.1 Å²	58.1	29%	0.288	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-40.2	176.1	-84.2	101.6	0	0	0	112.9	S468 C471 A472 L475 L516 V520 L554 I555 G561 F562	S468-W558 PolarHBondContact OG-NE1 3.09Å; C471-W558 HydrophobicContact CB-CZ2 4.21Å; A472-W558 HydrophobicContact CB-CH2 4.12Å; A472-W558 HydrophobicContact CB-CZ2 4.16Å; L475-W558 HydrophobicContact CD1-CH2 3.96Å; L475-W558 HydrophobicContact CD1-CZ3 4.01Å; L516-W558 HydrophobicContact CD1-CE3 4.47Å; L516-W558 HydrophobicContact CD1-CZ3 4.45Å; L516-W558 HydrophobicContact CD2-CZ3 4.42Å; L516-W558 HydrophobicContact CG-CZ3 4.39Å; V520-W558 HydrophobicContact CG1-CD2 4.01Å; V520-W558 HydrophobicContact CG1-CE3 4.26Å; V520-W558 HydrophobicContact CG1-CH2 4.25Å; V520-W558 HydrophobicContact CG1-CZ2 4Å; V520-W558 HydrophobicContact CG1-CZ3 4.37Å; V520-W558 HydrophobicContact CG2-CD2 4.49Å; V520-W558 HydrophobicContact CG2-CE3 4.15Å; V520-W558 HydrophobicContact CG2-CZ3 4.43Å; L554-W558 VanDerWaalsContact O-CD1 3.31Å; L554-W558 PolarHBondContact O-N 3.26Å; L554-W558 VanDerWaalsContact O-N 3.13Å; I555-W558 PolarHBondContact O-N 2.8Å; W558-G561 PolarHBondContact O-N 3.02Å; W558-F562 WeakPolarHBondContact O-CB 3.34Å; W558-F562 PolarHBondContact O-N 2.99Å
559	I	95.8	Very high	91.7	Very high	87 Å²	87	55.7 Å²	55.7	45%	0.446	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-47.4	175.7	-70	168	0	0	0	110.5	I555 L556 G561 F562 I563	I555-I559 HydrophobicContact CG2-CD1 3.74Å; I555-I559 HydrophobicContact CG2-CG1 4.4Å; I555-I559 WeakPolarHBondContact O-CG1 3.31Å; I555-I559 PolarHBondContact O-N 3.03Å; L556-I559 PolarHBondContact O-N 3.11Å; I559-G561 PolarHBondContact O-N 2.75Å; I559-F562 PolarHBondContact O-N 3.1Å; I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.49Å; I559-I563 VanDerWaalsContact O-CG1 3.28Å; I559-I563 WeakPolarHBondContact O-CG1 3.33Å; I559-I563 PolarHBondContact O-N 2.91Å
560	T	93.5	Very high	91.7	Very high	65 Å²	65	54.9 Å²	54.9	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-46.5	177.2	-61.4	0	0	0	0	111.4	L523 L556 I557 F562 I563 V564	L523-T560 HydrophobicContact CD1-CG2 4.28Å; L556-T560 WeakPolarHBondContact O-CB 3.07Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.26Å; L556-T560 VanDerWaalsContact O-OG1 3.08Å; I557-T560 PolarHBondContact O-N 3.21Å; T560-F562 VanDerWaalsContact C-N 3.34Å; T560-F562 PolarHBondContact O-N 3.14Å; T560-I563 PolarHBondContact O-N 3.03Å; T560-V564 WeakPolarHBondContact O-CG2 3.43Å; T560-V564 PolarHBondContact O-N 2.77Å
561	G	94.1	Very high	91.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-39.9	176.7	0	0	0	0	0	113.1	L516 I557 W558 I559 V564 A565	L516-G561 VanDerWaalsContact CD1-C 3.43Å; I557-G561 PolarHBondContact O-N 3.36Å; W558-G561 PolarHBondContact O-N 3.02Å; I559-G561 PolarHBondContact O-N 2.75Å; G561-V564 PolarHBondContact O-N 3.48Å; G561-A565 VanDerWaalsContact O-CB 3.3Å; G561-A565 WeakPolarHBondContact O-CB 3.25Å; G561-A565 PolarHBondContact O-N 2.78Å
562	F	95.1	Very high	90.6	Very high	111 Å²	111	61.5 Å²	61.5	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-42.6	175.2	-170.6	-89.8	0	0	0	112.1	L516 W558 I559 T560 V564 A565 F566	L516-F562 HydrophobicContact CD1-CB 4.41Å; W558-F562 WeakPolarHBondContact O-CB 3.34Å; W558-F562 PolarHBondContact O-N 2.99Å; I559-F562 PolarHBondContact O-N 3.1Å; T560-F562 VanDerWaalsContact C-N 3.34Å; T560-F562 PolarHBondContact O-N 3.14Å; F562-V564 PolarHBondContact O-N 2.86Å; F562-A565 PolarHBondContact O-N 3.13Å; F562-F566 HydrophobicContact CD1-CD2 4.3Å; F562-F566 AromaticContact CD2-CD2 3.72Å; F562-F566 HydrophobicContact CD2-CD2 3.72Å; F562-F566 AromaticContact CD2-CE2 3.74Å; F562-F566 HydrophobicContact CD2-CE2 3.74Å; F562-F566 HydrophobicContact CE1-CB 4.34Å; F562-F566 HydrophobicContact CE1-CD2 4.19Å; F562-F566 HydrophobicContact CE1-CG 4.24Å; F562-F566 AromaticContact CE2-CD2 3.6Å; F562-F566 HydrophobicContact CE2-CD2 3.6Å; F562-F566 AromaticContact CE2-CE2 3.51Å; F562-F566 HydrophobicContact CE2-CE2 3.51Å; F562-F566 HydrophobicContact CE2-CG 4.19Å; F562-F566 HydrophobicContact CE2-CZ 4.02Å; F562-F566 HydrophobicContact CG-CD2 4.08Å; F562-F566 HydrophobicContact CZ-CD1 4.34Å; F562-F566 AromaticContact CZ-CD2 3.85Å; F562-F566 HydrophobicContact CZ-CD2 3.85Å; F562-F566 HydrophobicContact CZ-CE2 4.13Å; F562-F566 AromaticContact CZ-CG 3.98Å; F562-F566 HydrophobicContact CZ-CG 3.98Å; F562-F566 WeakPolarHBondContact O-CB 3.02Å; F562-F566 WeakPolarHBondContact O-CD2 3.1Å; F562-F566 PolarHBondContact O-N 3.16Å
563	I	93.2	Very high	89.7	Confident	86 Å²	86	66.4 Å²	66.4	44%	0.441	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-46.8	175	-70.7	167.9	0	0	0	110.4	I559 T560 I567	I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.49Å; I559-I563 VanDerWaalsContact O-CG1 3.28Å; I559-I563 WeakPolarHBondContact O-CG1 3.33Å; I559-I563 PolarHBondContact O-N 2.91Å; T560-I563 PolarHBondContact O-N 3.03Å; I563-I567 HydrophobicContact CG2-CD1 3.43Å; I563-I567 VanDerWaalsContact CG2-CD1 3.43Å; I563-I567 HydrophobicContact CG2-CG1 4.1Å; I563-I567 WeakPolarHBondContact O-CB 3.09Å; I563-I567 WeakPolarHBondContact O-CG1 2.99Å; I563-I567 PolarHBondContact O-N 3.32Å
564	V	92.2	Very high	88.9	Confident	18 Å²	18	69.1 Å²	69.1	11%	0.109	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-41.2	178.1	172.5	0	0	0	0	112.2	I515 E519 T560 G561 F562 Y601 I605	I515-V564 HydrophobicContact CG2-CG1 4.2Å; E519-V564 HydrophobicContact CG-CG1 4.14Å; T560-V564 WeakPolarHBondContact O-CG2 3.43Å; T560-V564 PolarHBondContact O-N 2.77Å; G561-V564 PolarHBondContact O-N 3.48Å; F562-V564 PolarHBondContact O-N 2.86Å; V564-Y601 WeakPolarHBondContact CA-OH 3.34Å; V564-Y601 PolarHBondContact O-OH 2.91Å; V564-I605 HydrophobicContact CG1-CD1 3.56Å; V564-I605 HydrophobicContact CG1-CG1 3.94Å
565	A	92.6	Very high	88	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-72.5	-32.3	-179.7	0	0	0	0	0	114.2	S512 I515 L516 G561 F562 Y579	S512-A565 WeakPolarHBondContact CB-O 3.37Å; S512-A565 WeakPolarHBondContact O-CB 3.41Å; I515-A565 HydrophobicContact CG2-CB 4.35Å; L516-A565 HydrophobicContact CB-CB 3.69Å; L516-A565 HydrophobicContact CD1-CB 4.38Å; G561-A565 VanDerWaalsContact O-CB 3.3Å; G561-A565 WeakPolarHBondContact O-CB 3.25Å; G561-A565 PolarHBondContact O-N 2.78Å; F562-A565 PolarHBondContact O-N 3.13Å; A565-Y579 PolarHBondContact O-OH 3.1Å
566	F	92.2	Very high	87.1	Confident	54 Å²	54	70.2 Å²	70.2	24%	0.237	35%	0.347	C	S	.	.	H	α-helix	trans	-106	-14.1	-171.4	-72.5	-97.5	0	0	0	114.6	L509 L516 F562 L569	L509-F566 HydrophobicContact CD2-CE1 4.14Å; L516-F566 HydrophobicContact CD2-CE2 4.44Å; F562-F566 HydrophobicContact CD1-CD2 4.3Å; F562-F566 AromaticContact CD2-CD2 3.72Å; F562-F566 HydrophobicContact CD2-CD2 3.72Å; F562-F566 AromaticContact CD2-CE2 3.74Å; F562-F566 HydrophobicContact CD2-CE2 3.74Å; F562-F566 HydrophobicContact CE1-CB 4.34Å; F562-F566 HydrophobicContact CE1-CD2 4.19Å; F562-F566 HydrophobicContact CE1-CG 4.24Å; F562-F566 AromaticContact CE2-CD2 3.6Å; F562-F566 HydrophobicContact CE2-CD2 3.6Å; F562-F566 AromaticContact CE2-CE2 3.51Å; F562-F566 HydrophobicContact CE2-CE2 3.51Å; F562-F566 HydrophobicContact CE2-CG 4.19Å; F562-F566 HydrophobicContact CE2-CZ 4.02Å; F562-F566 HydrophobicContact CG-CD2 4.08Å; F562-F566 HydrophobicContact CZ-CD1 4.34Å; F562-F566 AromaticContact CZ-CD2 3.85Å; F562-F566 HydrophobicContact CZ-CD2 3.85Å; F562-F566 HydrophobicContact CZ-CE2 4.13Å; F562-F566 AromaticContact CZ-CG 3.98Å; F562-F566 HydrophobicContact CZ-CG 3.98Å; F562-F566 WeakPolarHBondContact O-CB 3.02Å; F562-F566 WeakPolarHBondContact O-CD2 3.1Å; F562-F566 PolarHBondContact O-N 3.16Å; F566-L569 HydrophobicContact CD1-CD1 3.73Å; F566-L569 HydrophobicContact CE1-CD1 4.18Å; F566-L569 WeakPolarHBondContact O-CB 3.48Å; F566-L569 PolarHBondContact O-N 3.24Å
567	I	90.6	Very high	86.4	Confident	66 Å²	66	67.7 Å²	67.7	34%	0.338	33%	0.334	S	S	.	.	H	α-helix	trans	-50.8	-46.6	174.2	-88.4	170.7	0	0	0	113.5	I563 L569 S570 F575 Y601	I563-I567 HydrophobicContact CG2-CD1 3.43Å; I563-I567 VanDerWaalsContact CG2-CD1 3.43Å; I563-I567 HydrophobicContact CG2-CG1 4.1Å; I563-I567 WeakPolarHBondContact O-CB 3.09Å; I563-I567 WeakPolarHBondContact O-CG1 2.99Å; I563-I567 PolarHBondContact O-N 3.32Å; I567-L569 PolarHBondContact O-N 2.96Å; I567-L569 VanDerWaalsContact O-N 3.08Å; I567-S570 WeakPolarHBondContact O-CB 3.28Å; I567-S570 PolarHBondContact O-N 2.85Å; I567-F575 HydrophobicContact CG2-CE2 3.8Å; I567-F575 HydrophobicContact CG2-CZ 3.77Å; I567-Y601 HydrophobicContact CG2-CE2 3.9Å
568	P	87.6	Confident	85.8	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-18.1	-176.3	-25.5	36.2	0	0	0	114.6	F575 Y578 Y579 Y601	P568-F575 HydrophobicContact CB-CB 4.41Å; P568-F575 HydrophobicContact CB-CD1 4.39Å; P568-F575 HydrophobicContact CB-CG 4.23Å; P568-Y578 HydrophobicContact CB-CD1 3.52Å; P568-Y578 HydrophobicContact CB-CE1 4.28Å; P568-Y578 HydrophobicContact CB-CG 3.98Å; P568-Y578 HydrophobicContact CG-CD1 3.67Å; P568-Y578 HydrophobicContact CG-CE1 3.9Å; P568-Y578 HydrophobicContact CG-CG 4.45Å; P568-Y579 HydrophobicContact CB-CE2 3.88Å; P568-Y579 HydrophobicContact CG-CE2 4.13Å; P568-Y601 HydrophobicContact CG-CD1 4.06Å; P568-Y601 HydrophobicContact CG-CE1 3.43Å; P568-Y601 VanDerWaalsContact CG-CE1 3.43Å
569	L	86.2	Confident	85.4	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.251	32%	0.317	S	S	.	.	H	α-helix	trans	-81.3	-20.5	178.4	-56.8	177.5	0	0	0	112.8	Q508 F566 I567 Y579	Q508-L569 HydrophobicContact CB-CD2 3.77Å; Q508-L569 HydrophobicContact CG-CD2 4.26Å; F566-L569 HydrophobicContact CD1-CD1 3.73Å; F566-L569 HydrophobicContact CE1-CD1 4.18Å; F566-L569 WeakPolarHBondContact O-CB 3.48Å; F566-L569 PolarHBondContact O-N 3.24Å; I567-L569 PolarHBondContact O-N 2.96Å; I567-L569 VanDerWaalsContact O-N 3.08Å; L569-Y579 HydrophobicContact CD2-CD2 3.76Å; L569-Y579 HydrophobicContact CD2-CE2 4.07Å; L569-Y579 HydrophobicContact CG-CD2 4.46Å; L569-Y579 HydrophobicContact CG-CE2 4.28Å
570	S	84.6	Confident	84.7	Confident	107 Å²	107	59.9 Å²	59.9	75%	0.748	30%	0.301	S	S	*	.	H	α-helix	trans	-77.8	-30.3	-171.8	-63.4	0	0	0	0	114.3	I567	I567-S570 WeakPolarHBondContact O-CB 3.28Å; I567-S570 PolarHBondContact O-N 2.85Å
571	N	78.4	Confident	83.9	Confident	74 Å²	74	58.8 Å²	58.8	40%	0.396	29%	0.294	S	S	.	.			trans	-132.7	97.7	-177.8	-172.2	-18.3	0	0	0	112	E573 F574 F575	N571-E573 VanDerWaalsContact C-N 3.32Å; N571-E573 PolarHBondContact O-N 3Å; N571-E573 PolarHBondContact OD1-N 2.98Å; N571-F574 HydrophobicContact CB-CB 4.31Å; N571-F574 PolarHBondContact O-N 3.01Å; N571-F574 PolarHBondContact OD1-N 2.91Å; N571-F574 VanDerWaalsContact OD1-N 3.15Å; N571-F575 HydrophobicContact CB-CD2 4.45Å; N571-F575 PolarHBondContact O-N 3.17Å
572	K	73.1	Confident	83.2	Confident	145 Å²	145	59.7 Å²	59.7	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-68.6	-23.4	179.5	-66	-172.2	176.1	-173	0	114.2	K576	K572-K576 WeakPolarHBondContact O-CA 3.43Å; K572-K576 PolarHBondContact O-N 3.14Å; K572-K576 VanDerWaalsContact O-N 3.08Å
573	E	70.6	Confident	82.5	Confident	181 Å²	181	54.4 Å²	54.4	85%	0.846	28%	0.275	S	S	*	.	H	α-helix	trans	-74.1	-42.3	175.9	-63.4	-172.4	156.2	0	0	110.9	N571	N571-E573 VanDerWaalsContact C-N 3.32Å; N571-E573 PolarHBondContact O-N 3Å; N571-E573 PolarHBondContact OD1-N 2.98Å
574	F	76.1	Confident	82.3	Confident	104 Å²	104	50.5 Å²	50.5	46%	0.456	26%	0.255	S	S	.	.	H	α-helix	trans	-78.7	-41.1	-178.1	-169.5	-93.3	0	0	0	113	N571 S595	N571-F574 HydrophobicContact CB-CB 4.31Å; N571-F574 PolarHBondContact O-N 3.01Å; N571-F574 PolarHBondContact OD1-N 2.91Å; N571-F574 VanDerWaalsContact OD1-N 3.15Å; F574-S595 WeakPolarHBondContact O-CB 3.31Å; F574-S595 PolarHBondContact O-OG 2.96Å
575	F	72	Confident	82.1	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-102.5	-5.4	-174.6	-67.9	-71.9	0	0	0	114.9	I567 P568 N571 N577 Y578 A598 Y601	I567-F575 HydrophobicContact CG2-CE2 3.8Å; I567-F575 HydrophobicContact CG2-CZ 3.77Å; P568-F575 HydrophobicContact CB-CB 4.41Å; P568-F575 HydrophobicContact CB-CD1 4.39Å; P568-F575 HydrophobicContact CB-CG 4.23Å; N571-F575 HydrophobicContact CB-CD2 4.45Å; N571-F575 PolarHBondContact O-N 3.17Å; F575-N577 PolarHBondContact O-N 2.95Å; F575-Y578 PolarHBondContact O-N 2.72Å; F575-A598 HydrophobicContact CD1-CB 4.44Å; F575-Y601 HydrophobicContact CE1-CD1 4.12Å; F575-Y601 HydrophobicContact CE1-CD2 4.05Å; F575-Y601 AromaticContact CE1-CG 3.74Å; F575-Y601 HydrophobicContact CE1-CG 3.74Å; F575-Y601 HydrophobicContact CZ-CD2 4.2Å; F575-Y601 HydrophobicContact CZ-CG 4.34Å
576	K	76.1	Confident	81.9	Confident	115 Å²	115	49.7 Å²	49.7	50%	0.5	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	-130.5	-171.7	-63.5	-177.3	179.7	176.2	0	110.9	K572 T593	K572-K576 WeakPolarHBondContact O-CA 3.43Å; K572-K576 PolarHBondContact O-N 3.14Å; K572-K576 VanDerWaalsContact O-N 3.08Å; K576-T593 PolarHBondContact NZ-O 3.23Å
577	N	78.9	Confident	81.4	Confident	42 Å²	42	47.1 Å²	47.1	23%	0.225	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	58.6	176.3	-167.7	20.7	0	0	0	111	M502 Q508 F575 Y579 G580	M502-N577 PolarHBondContact O-ND2 3.22Å; Q508-N577 PolarHBondContact NE2-OD1 3.09Å; F575-N577 PolarHBondContact O-N 2.95Å; N577-Y579 VanDerWaalsContact C-N 3.26Å; N577-Y579 PolarHBondContact O-N 3.33Å; N577-Y579 VanDerWaalsContact O-N 3.12Å; N577-G580 WeakPolarHBondContact ND2-CA 3.39Å; N577-G580 PolarHBondContact ND2-O 2.96Å; N577-G580 CarbonylContact O-C 2.96Å; N577-G580 PolarHBondContact O-N 3.19Å
578	Y	83.4	Confident	80.5	Confident	6 Å²	6	44.1 Å²	44.1	2%	0.024	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-43.4	-172.8	-177.7	-113.6	0	0	0	114.9	P568 F575 P587 A598 Y601 S602	P568-Y578 HydrophobicContact CB-CD1 3.52Å; P568-Y578 HydrophobicContact CB-CE1 4.28Å; P568-Y578 HydrophobicContact CB-CG 3.98Å; P568-Y578 HydrophobicContact CG-CD1 3.67Å; P568-Y578 HydrophobicContact CG-CE1 3.9Å; P568-Y578 HydrophobicContact CG-CG 4.45Å; F575-Y578 PolarHBondContact O-N 2.72Å; Y578-P587 HydrophobicContact CD1-CB 4.19Å; Y578-P587 HydrophobicContact CD1-CG 4.19Å; Y578-P587 HydrophobicContact CD2-CB 4.34Å; Y578-P587 HydrophobicContact CE1-CB 3.74Å; Y578-P587 HydrophobicContact CE1-CG 3.52Å; Y578-P587 HydrophobicContact CE2-CB 3.9Å; Y578-P587 HydrophobicContact CG-CB 4.49Å; Y578-A598 HydrophobicContact CD2-CB 3.9Å; Y578-A598 HydrophobicContact CE2-CB 4.35Å; Y578-Y601 HydrophobicContact CE1-CD1 4.25Å; Y578-Y601 HydrophobicContact CE1-CE1 4.45Å; Y578-Y601 AromaticContact CZ-CD1 3.98Å; Y578-S602 WeakPolarHBondContact OH-CA 3.43Å; Y578-S602 WeakPolarHBondContact OH-CB 3.3Å
579	Y	86.6	Confident	79.3	Confident	3 Å²	3	46.2 Å²	46.2	1%	0.012	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-25.6	178.8	-71.5	-66.8	0	0	0	113.9	G511 I515 A565 P568 L569 N577 C585 P587	G511-Y579 VanDerWaalsContact C-CD1 3.49Å; G511-Y579 VanDerWaalsContact C-CE1 3.47Å; G511-Y579 WeakPolarHBondContact O-CE1 3.33Å; I515-Y579 HydrophobicContact CG1-CE1 3.75Å; A565-Y579 PolarHBondContact O-OH 3.1Å; P568-Y579 HydrophobicContact CB-CE2 3.88Å; P568-Y579 HydrophobicContact CG-CE2 4.13Å; L569-Y579 HydrophobicContact CD2-CD2 3.76Å; L569-Y579 HydrophobicContact CD2-CE2 4.07Å; L569-Y579 HydrophobicContact CG-CD2 4.46Å; L569-Y579 HydrophobicContact CG-CE2 4.28Å; N577-Y579 VanDerWaalsContact C-N 3.26Å; N577-Y579 PolarHBondContact O-N 3.33Å; N577-Y579 VanDerWaalsContact O-N 3.12Å; Y579-C585 CarbonylContact O-C 3.52Å; Y579-C585 VanDerWaalsContact O-C 3.22Å; Y579-C585 WeakPolarHBondContact O-CA 3.3Å; Y579-P587 HydrophobicContact CD1-CG 4.18Å; Y579-P587 HydrophobicContact CE1-CG 4.04Å
580	G	81.5	Confident	77.7	Confident	9 Å²	9	44.3 Å²	44.3	9%	0.093	22%	0.223	C	C	.	.			trans	-100.8	38	-175.5	0	0	0	0	0	113.6	M502 N577	M502-G580 WeakPolarHBondContact O-CA 3.25Å; N577-G580 WeakPolarHBondContact ND2-CA 3.39Å; N577-G580 PolarHBondContact ND2-O 2.96Å; N577-G580 CarbonylContact O-C 2.96Å; N577-G580 PolarHBondContact O-N 3.19Å
581	T	76.7	Confident	76.3	Confident	42 Å²	42	42.5 Å²	42.5	26%	0.258	20%	0.203	S	C	.	.	S	Bend	trans	-79.6	-23.8	172.4	50.4	0	0	0	0	112.4
582	N	80.3	Confident	74.9	Confident	20 Å²	20	44.8 Å²	44.8	11%	0.107	22%	0.215	C	C	.	.	S	Bend	trans	-144.5	159.4	-176	52.8	35.6	0	0	0	111.7	I418 M502 V584 C585 F586	I418-N582 HydrophobicContact CD1-CB 4.23Å; M502-N582 VanDerWaalsContact SD-C 3.55Å; N582-V584 VanDerWaalsContact C-N 3.26Å; N582-V584 PolarHBondContact O-N 3.39Å; N582-C585 PolarHBondContact O-N 2.64Å; N582-C585 PolarHBondContact OD1-N 3.2Å; N582-F586 PolarHBondContact ND2-O 3.08Å; N582-F586 PolarHBondContact OD1-N 2.84Å; N582-F586 PolarHBondContact OD1-O 2.76Å
583	G	80.4	Confident	73.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.8	-171.8	0	0	0	0	0	115	L424 Y494 W501 C585	L424-G583 WeakPolarHBondContact CD1-O 3.49Å; Y494-G583 WeakPolarHBondContact OH-CA 3.31Å; W501-G583 PolarHBondContact NE1-O 2.83Å; G583-C585 VanDerWaalsContact C-N 3.29Å; G583-C585 PolarHBondContact O-N 3.39Å
584	V	87.5	Confident	73	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.024	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1	-179.5	170.7	0	0	0	0	112.8	I418 L425 Y479 N582 V688 I689	I418-V584 HydrophobicContact CG2-CB 4.3Å; I418-V584 HydrophobicContact CG2-CG2 3.45Å; I418-V584 VanDerWaalsContact CG2-CG2 3.45Å; L425-V584 HydrophobicContact CD2-CG2 3.78Å; Y479-V584 WeakPolarHBondContact OH-CG1 3.31Å; Y479-V584 PolarHBondContact OH-O 3.3Å; N582-V584 VanDerWaalsContact C-N 3.26Å; N582-V584 PolarHBondContact O-N 3.39Å; V584-V688 HydrophobicContact CG1-CG1 3.67Å; V584-I689 HydrophobicContact CG2-CD1 4.48Å
585	C	89.1	Confident	72.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.			trans	65.4	33.2	172.7	-49	0	0	0	0	115.1	C507 G511 Y579 N582 G583	C507-C585 WeakPolarHBondContact CA-SG 3.43Å; C507-C585 HydrophobicContact CB-CB 4.18Å; C507-C585 WeakPolarHBondContact CB-SG 3.34Å; C507-C585 WeakPolarHBondContact O-CB 3.33Å; C507-C585 WeakPolarHBondContact SG-CB 3.42Å; C507-C585 CovalentContact SG-SG 2.03Å; C507-C585 PolarHBondContact SG-SG 2.96Å; G511-C585 WeakPolarHBondContact CA-O 3.16Å; Y579-C585 CarbonylContact O-C 3.52Å; Y579-C585 VanDerWaalsContact O-C 3.22Å; Y579-C585 WeakPolarHBondContact O-CA 3.3Å; N582-C585 PolarHBondContact O-N 2.64Å; N582-C585 PolarHBondContact OD1-N 3.2Å; G583-C585 VanDerWaalsContact C-N 3.29Å; G583-C585 PolarHBondContact O-N 3.39Å
586	F	87.4	Confident	72.3	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.181	C	C	.	.			trans	-129.3	120.4	-172.9	-166.2	-83	0	0	0	113	A514 I515 N582 L588 F606 V688 L692	A514-F586 HydrophobicContact CB-CD2 3.77Å; A514-F586 HydrophobicContact CB-CE2 3.92Å; I515-F586 HydrophobicContact CD1-CE2 3.75Å; I515-F586 HydrophobicContact CD1-CZ 3.74Å; I515-F586 HydrophobicContact CG1-CE2 4.49Å; N582-F586 PolarHBondContact ND2-O 3.08Å; N582-F586 PolarHBondContact OD1-N 2.84Å; N582-F586 PolarHBondContact OD1-O 2.76Å; F586-L588 VanDerWaalsContact C-N 3.28Å; F586-L588 HydrophobicContact CD1-CB 3.84Å; F586-L588 HydrophobicContact CE1-CB 4Å; F586-L588 PolarHBondContact O-N 3.16Å; F586-F606 HydrophobicContact CE1-CE1 4.19Å; F586-F606 AromaticContact CE1-CZ 3.68Å; F586-F606 HydrophobicContact CE1-CZ 3.68Å; F586-F606 HydrophobicContact CZ-CE1 4.1Å; F586-F606 AromaticContact CZ-CZ 3.76Å; F586-F606 HydrophobicContact CZ-CZ 3.76Å; F586-V688 HydrophobicContact CB-CG1 3.77Å; F586-V688 HydrophobicContact CB-CG2 4.28Å; F586-V688 HydrophobicContact CD1-CG1 4.22Å; F586-V688 HydrophobicContact CD1-CG2 3.63Å; F586-V688 HydrophobicContact CD2-CG1 4.38Å; F586-V688 HydrophobicContact CE1-CG2 4.28Å; F586-V688 HydrophobicContact CG-CG1 3.86Å; F586-V688 HydrophobicContact CG-CG2 4.11Å; F586-L692 HydrophobicContact CE1-CD1 4.07Å; F586-L692 HydrophobicContact CE2-CD1 4.14Å; F586-L692 HydrophobicContact CZ-CD1 3.54Å
587	P	81.7	Confident	72.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	51.1	-167.3	36.1	-38.5	0	0	0	114	I515 Y578 Y579 S602 F606	I515-P587 HydrophobicContact CD1-CG 4.18Å; I515-P587 HydrophobicContact CG1-CG 4.36Å; Y578-P587 HydrophobicContact CD1-CB 4.19Å; Y578-P587 HydrophobicContact CD1-CG 4.19Å; Y578-P587 HydrophobicContact CD2-CB 4.34Å; Y578-P587 HydrophobicContact CE1-CB 3.74Å; Y578-P587 HydrophobicContact CE1-CG 3.52Å; Y578-P587 HydrophobicContact CE2-CB 3.9Å; Y578-P587 HydrophobicContact CG-CB 4.49Å; Y579-P587 HydrophobicContact CD1-CG 4.18Å; Y579-P587 HydrophobicContact CE1-CG 4.04Å; P587-S602 PolarHBondContact O-OG 3.08Å; P587-F606 WeakPolarHBondContact O-CE2 3.35Å
588	L	72.6	Confident	72.2	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-52.8	177.6	-175.7	69.5	0	0	0	111.5	F586 I666 V669 K670 V687 V688	F586-L588 VanDerWaalsContact C-N 3.28Å; F586-L588 HydrophobicContact CD1-CB 3.84Å; F586-L588 HydrophobicContact CE1-CB 4Å; F586-L588 PolarHBondContact O-N 3.16Å; L588-I666 HydrophobicContact CD1-CG2 4.01Å; L588-V669 HydrophobicContact CD2-CG1 4.22Å; L588-V669 HydrophobicContact CG-CG1 4.32Å; L588-K670 PolarHBondContact O-NZ 3.14Å; L588-V687 HydrophobicContact CD2-CB 3.85Å; L588-V687 HydrophobicContact CD2-CG1 3.61Å; L588-V688 HydrophobicContact CB-CG2 4.22Å; L588-V688 HydrophobicContact CD2-CG2 3.95Å
589	H	62.6	Low	72	Confident	50 Å²	50	30.8 Å²	30.8	23%	0.231	17%	0.166	C	C	.	.	S	Bend	trans	-93.6	120.7	-179.1	-169.2	75.5	0	0	0	109.5	T684	H589-T684 HydrophobicContact CB-CG2 4.1Å
590	S	52.2	Low	71.8	Confident	7 Å²	7	35.7 Å²	35.7	5%	0.049	19%	0.192	C	C	.	.			trans	-95.1	108	173.9	173.6	0	0	0	0	106.9	E594	S590-E594 PolarHBondContact OG-OE2 2.91Å
591	E	56.1	Low	72.1	Confident	69 Å²	69	37.1 Å²	37.1	32%	0.322	20%	0.195	S	C	.	.			trans	-64	151.1	168.3	-67.7	-173	174.4	0	0	109.8	T593 E594	E591-T593 PolarHBondContact O-N 3.29Å; E591-E594 PolarHBondContact O-N 2.94Å; E591-E594 VanDerWaalsContact O-N 3.12Å
592	D	49	Very low	72.5	Confident	122 Å²	122	35.1 Å²	35.1	65%	0.652	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	1.3	-177.6	-63.7	-74.6	0	0	0	115.8	Q676	D592-Q676 PolarHBondContact OD1-NE2 3.2Å
593	T	48.7	Very low	72.8	Confident	52 Å²	52	35.9 Å²	35.9	32%	0.319	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	6.9	-179	46	0	0	0	0	114.6	K397 K576 E591	K397-T593 VanDerWaalsContact NZ-CG2 3.33Å; K397-T593 PolarHBondContact NZ-OG1 2.88Å; K576-T593 PolarHBondContact NZ-O 3.23Å; E591-T593 PolarHBondContact O-N 3.29Å
594	E	55.1	Low	73.2	Confident	31 Å²	31	38.3 Å²	38.3	15%	0.145	21%	0.207	C	C	.	.	S	Bend	trans	-58	153.2	163	-76.7	-166	-173.4	0	0	111.1	S590 E591 A598	S590-E594 PolarHBondContact OG-OE2 2.91Å; E591-E594 PolarHBondContact O-N 2.94Å; E591-E594 VanDerWaalsContact O-N 3.12Å; E594-A598 HydrophobicContact CB-CB 4.24Å
595	S	62.3	Low	73.2	Confident	22 Å²	22	38.3 Å²	38.3	15%	0.154	21%	0.207	C	C	.	.			trans	-64.6	145.3	168.4	52.4	0	0	0	0	109.2	F574 G597 A598 Q599	F574-S595 WeakPolarHBondContact O-CB 3.31Å; F574-S595 PolarHBondContact O-OG 2.96Å; S595-G597 PolarHBondContact O-N 3.13Å; S595-A598 PolarHBondContact O-N 3.33Å; S595-A598 WeakPolarHBondContact OG-CB 3.05Å; S595-A598 PolarHBondContact OG-N 3.4Å; S595-Q599 PolarHBondContact O-N 3Å; S595-Q599 VanDerWaalsContact O-N 3.12Å
596	I	71	Confident	72.9	Confident	131 Å²	131	38.3 Å²	38.3	67%	0.672	21%	0.207	S	C	*	.	H	α-helix	trans	-49.4	-35.4	175.3	-63.9	169.2	0	0	0	110.8	I600	I596-I600 HydrophobicContact CG2-CD1 3.71Å; I596-I600 HydrophobicContact CG2-CG1 4.43Å; I596-I600 WeakPolarHBondContact O-CB 3.37Å; I596-I600 WeakPolarHBondContact O-CD1 3.06Å; I596-I600 WeakPolarHBondContact O-CG1 3.28Å; I596-I600 PolarHBondContact O-N 2.99Å
597	G	75.6	Confident	72.7	Confident	9 Å²	9	40.5 Å²	40.5	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-46.3	173.8	0	0	0	0	0	115.4	S595 Y601	S595-G597 PolarHBondContact O-N 3.13Å; G597-Y601 VanDerWaalsContact O-CB 3.3Å; G597-Y601 WeakPolarHBondContact O-CB 3.44Å; G597-Y601 PolarHBondContact O-N 3.34Å
598	A	77.3	Confident	73	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-42.4	177.9	0	0	0	0	0	112	F575 Y578 E594 S595 Y601 S602	F575-A598 HydrophobicContact CD1-CB 4.44Å; Y578-A598 HydrophobicContact CD2-CB 3.9Å; Y578-A598 HydrophobicContact CE2-CB 4.35Å; E594-A598 HydrophobicContact CB-CB 4.24Å; S595-A598 PolarHBondContact O-N 3.33Å; S595-A598 WeakPolarHBondContact OG-CB 3.05Å; S595-A598 PolarHBondContact OG-N 3.4Å; A598-Y601 WeakPolarHBondContact O-CB 3.34Å; A598-Y601 PolarHBondContact O-N 3.45Å; A598-S602 WeakPolarHBondContact O-CB 3.13Å; A598-S602 PolarHBondContact O-N 3.46Å
599	Q	78.6	Confident	73.7	Confident	70 Å²	70	45.1 Å²	45.1	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-49	177.2	-168.9	-177.4	28.6	0	0	111.5	S595 Y601 S602 V603	S595-Q599 PolarHBondContact O-N 3Å; S595-Q599 VanDerWaalsContact O-N 3.12Å; Q599-Y601 VanDerWaalsContact C-N 3.27Å; Q599-Y601 PolarHBondContact O-N 2.87Å; Q599-S602 PolarHBondContact O-N 2.92Å; Q599-V603 VanDerWaalsContact O-CG2 3.26Å; Q599-V603 WeakPolarHBondContact O-CG2 3.47Å; Q599-V603 PolarHBondContact O-N 3.13Å
600	I	83	Confident	74.9	Confident	107 Å²	107	42.9 Å²	42.9	55%	0.549	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-42.6	175.5	-71.7	168.3	0	0	0	110.8	I596 V603 A604	I596-I600 HydrophobicContact CG2-CD1 3.71Å; I596-I600 HydrophobicContact CG2-CG1 4.43Å; I596-I600 WeakPolarHBondContact O-CB 3.37Å; I596-I600 WeakPolarHBondContact O-CD1 3.06Å; I596-I600 WeakPolarHBondContact O-CG1 3.28Å; I596-I600 PolarHBondContact O-N 2.99Å; I600-V603 PolarHBondContact O-N 3.24Å; I600-A604 WeakPolarHBondContact O-CB 3.22Å; I600-A604 PolarHBondContact O-N 2.9Å
601	Y	87.3	Confident	76.5	Confident	39 Å²	39	45.4 Å²	45.4	15%	0.153	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-46.7	-179.2	-168.8	-103.2	0	0	0	112.7	V564 I567 P568 F575 Y578 G597 A598 Q599 V603 A604 I605	V564-Y601 WeakPolarHBondContact CA-OH 3.34Å; V564-Y601 PolarHBondContact O-OH 2.91Å; I567-Y601 HydrophobicContact CG2-CE2 3.9Å; P568-Y601 HydrophobicContact CG-CD1 4.06Å; P568-Y601 HydrophobicContact CG-CE1 3.43Å; P568-Y601 VanDerWaalsContact CG-CE1 3.43Å; F575-Y601 HydrophobicContact CE1-CD1 4.12Å; F575-Y601 HydrophobicContact CE1-CD2 4.05Å; F575-Y601 AromaticContact CE1-CG 3.74Å; F575-Y601 HydrophobicContact CE1-CG 3.74Å; F575-Y601 HydrophobicContact CZ-CD2 4.2Å; F575-Y601 HydrophobicContact CZ-CG 4.34Å; Y578-Y601 HydrophobicContact CE1-CD1 4.25Å; Y578-Y601 HydrophobicContact CE1-CE1 4.45Å; Y578-Y601 AromaticContact CZ-CD1 3.98Å; G597-Y601 VanDerWaalsContact O-CB 3.3Å; G597-Y601 WeakPolarHBondContact O-CB 3.44Å; G597-Y601 PolarHBondContact O-N 3.34Å; A598-Y601 WeakPolarHBondContact O-CB 3.34Å; A598-Y601 PolarHBondContact O-N 3.45Å; Q599-Y601 VanDerWaalsContact C-N 3.27Å; Q599-Y601 PolarHBondContact O-N 2.87Å; Y601-V603 VanDerWaalsContact C-N 3.31Å; Y601-V603 PolarHBondContact O-N 3.38Å; Y601-A604 PolarHBondContact O-N 3.06Å; Y601-I605 HydrophobicContact CD1-CD1 3.75Å; Y601-I605 HydrophobicContact CE1-CD1 3.32Å; Y601-I605 HydrophobicContact CE1-CG1 4.48Å; Y601-I605 PolarHBondContact O-N 2.95Å; Y601-I605 VanDerWaalsContact O-N 3.12Å
602	S	85.7	Confident	78.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-39.6	175.8	-171.4	0	0	0	0	111.9	Y578 P587 A598 Q599 F606 K670	Y578-S602 WeakPolarHBondContact OH-CA 3.43Å; Y578-S602 WeakPolarHBondContact OH-CB 3.3Å; P587-S602 PolarHBondContact O-OG 3.08Å; A598-S602 WeakPolarHBondContact O-CB 3.13Å; A598-S602 PolarHBondContact O-N 3.46Å; Q599-S602 PolarHBondContact O-N 2.92Å; S602-F606 WeakPolarHBondContact O-CD2 3.38Å; S602-F606 PolarHBondContact O-N 3.36Å; S602-K670 VanDerWaalsContact OG-CE 3.3Å; S602-K670 WeakPolarHBondContact OG-CE 3.32Å; S602-K670 PolarHBondContact OG-NZ 2.81Å
603	V	86.4	Confident	80	Confident	36 Å²	36	39 Å²	39	22%	0.218	23%	0.229	C	C	.	.	H	α-helix	trans	-66.5	-44.4	174.4	174	0	0	0	0	111.6	Q599 I600 Y601 I605 L607 G608 L674	Q599-V603 VanDerWaalsContact O-CG2 3.26Å; Q599-V603 WeakPolarHBondContact O-CG2 3.47Å; Q599-V603 PolarHBondContact O-N 3.13Å; I600-V603 PolarHBondContact O-N 3.24Å; Y601-V603 VanDerWaalsContact C-N 3.31Å; Y601-V603 PolarHBondContact O-N 3.38Å; V603-I605 VanDerWaalsContact C-N 3.29Å; V603-I605 PolarHBondContact O-N 2.91Å; V603-L607 HydrophobicContact CG1-CB 4.28Å; V603-L607 HydrophobicContact CG1-CD2 4.34Å; V603-L607 WeakPolarHBondContact O-CA 3Å; V603-L607 WeakPolarHBondContact O-CB 3.11Å; V603-L607 PolarHBondContact O-N 2.92Å; V603-G608 PolarHBondContact O-N 2.68Å; V603-G608 VanDerWaalsContact O-N 3.1Å; V603-L674 HydrophobicContact CG2-CD1 4.39Å; V603-L674 HydrophobicContact CG2-CD2 3.83Å; V603-L674 HydrophobicContact CG2-CG 4.45Å
604	A	88.3	Confident	81.9	Confident	50 Å²	50	38.5 Å²	38.5	41%	0.413	22%	0.223	S	C	.	.	I	π-helix	trans	-60.8	-36.3	-179.7	0	0	0	0	0	112.8	I600 Y601 G608 I609	I600-A604 WeakPolarHBondContact O-CB 3.22Å; I600-A604 PolarHBondContact O-N 2.9Å; Y601-A604 PolarHBondContact O-N 3.06Å; A604-G608 CarbonylContact O-C 3.1Å; A604-G608 WeakPolarHBondContact O-CA 3.44Å; A604-G608 PolarHBondContact O-N 2.97Å; A604-I609 PolarHBondContact O-N 2.79Å
605	I	87.6	Confident	83.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.24	C	C	.	.	I	π-helix	trans	-74.4	-65.8	175.4	-64.4	168.2	0	0	0	110.5	E519 V564 Y601 V603 L607 I609 N610	E519-I605 VanDerWaalsContact CD-CG2 3.41Å; E519-I605 HydrophobicContact CG-CG2 4.16Å; E519-I605 WeakPolarHBondContact OE2-CG2 2.99Å; V564-I605 HydrophobicContact CG1-CD1 3.56Å; V564-I605 HydrophobicContact CG1-CG1 3.94Å; Y601-I605 HydrophobicContact CD1-CD1 3.75Å; Y601-I605 HydrophobicContact CE1-CD1 3.32Å; Y601-I605 HydrophobicContact CE1-CG1 4.48Å; Y601-I605 PolarHBondContact O-N 2.95Å; Y601-I605 VanDerWaalsContact O-N 3.12Å; V603-I605 VanDerWaalsContact C-N 3.29Å; V603-I605 PolarHBondContact O-N 2.91Å; I605-L607 PolarHBondContact O-N 2.8Å; I605-I609 PolarHBondContact O-N 3.2Å; I605-N610 PolarHBondContact O-N 3.06Å; I605-N610 VanDerWaalsContact O-N 3.12Å
606	F	83.3	Confident	84.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.25	C	S	.	.	I	π-helix	trans	-72.8	-30.3	-168.2	-71.4	-67.6	0	0	0	114.1	I515 F586 P587 S602 I666 F667 K670	I515-F606 HydrophobicContact CD1-CE1 4.5Å; I515-F606 HydrophobicContact CD1-CE2 4.41Å; I515-F606 HydrophobicContact CD1-CZ 3.7Å; F586-F606 HydrophobicContact CE1-CE1 4.19Å; F586-F606 AromaticContact CE1-CZ 3.68Å; F586-F606 HydrophobicContact CE1-CZ 3.68Å; F586-F606 HydrophobicContact CZ-CE1 4.1Å; F586-F606 AromaticContact CZ-CZ 3.76Å; F586-F606 HydrophobicContact CZ-CZ 3.76Å; P587-F606 WeakPolarHBondContact O-CE2 3.35Å; S602-F606 WeakPolarHBondContact O-CD2 3.38Å; S602-F606 PolarHBondContact O-N 3.36Å; F606-I666 HydrophobicContact CD1-CG2 4.06Å; F606-F667 WeakPolarHBondContact O-CD1 3.15Å; F606-F667 VanDerWaalsContact O-CE1 3.29Å; F606-F667 WeakPolarHBondContact O-CE1 3.44Å; F606-K670 HydrophobicContact CB-CG 4.35Å
607	L	83.4	Confident	85.4	Confident	47 Å²	47	38.1 Å²	38.1	25%	0.246	22%	0.22	C	C	.	.	I	π-helix	trans	-109.4	-22.1	179.4	-168.7	66	0	0	0	113.2	V603 I605 L611 L674	V603-L607 HydrophobicContact CG1-CB 4.28Å; V603-L607 HydrophobicContact CG1-CD2 4.34Å; V603-L607 WeakPolarHBondContact O-CA 3Å; V603-L607 WeakPolarHBondContact O-CB 3.11Å; V603-L607 PolarHBondContact O-N 2.92Å; I605-L607 PolarHBondContact O-N 2.8Å; L607-L611 HydrophobicContact CD1-CD2 4.11Å; L607-L611 WeakPolarHBondContact O-CB 3.19Å; L607-L674 HydrophobicContact CD2-CD1 3.81Å
608	G	86.8	Confident	85.8	Confident	36 Å²	36	41 Å²	41	37%	0.371	24%	0.236	S	C	.	.	I	π-helix	trans	-85.2	-77.6	174.4	0	0	0	0	0	112.2	V603 A604 A612	V603-G608 PolarHBondContact O-N 2.68Å; V603-G608 VanDerWaalsContact O-N 3.1Å; A604-G608 CarbonylContact O-C 3.1Å; A604-G608 WeakPolarHBondContact O-CA 3.44Å; A604-G608 PolarHBondContact O-N 2.97Å; G608-A612 WeakPolarHBondContact O-CB 3.21Å; G608-A612 PolarHBondContact O-N 3.02Å
609	I	87.9	Confident	86.3	Confident	64 Å²	64	47.2 Å²	47.2	33%	0.328	26%	0.262	S	S	.	.	I	π-helix	trans	-60.4	-51.8	-173.5	-63.1	173.5	0	0	0	111	L523 A604 I605 L611 A612 A613	L523-I609 HydrophobicContact CD2-CG2 4.48Å; A604-I609 PolarHBondContact O-N 2.79Å; I605-I609 PolarHBondContact O-N 3.2Å; I609-L611 PolarHBondContact O-N 3.02Å; I609-A612 PolarHBondContact O-N 2.92Å; I609-A613 VanDerWaalsContact O-CB 3.31Å; I609-A613 WeakPolarHBondContact O-CB 3.46Å; I609-A613 PolarHBondContact O-N 3.26Å
610	N	87	Confident	86.6	Confident	2 Å²	2	44 Å²	44	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-32.5	-174.8	-73.3	-32.6	0	0	0	113.3	E519 V522 I605 F614 W663 F667	E519-N610 PolarHBondContact OE1-ND2 2.91Å; E519-N610 PolarHBondContact OE2-ND2 2.94Å; E519-N610 PolarHBondContact OE2-OD1 3.07Å; V522-N610 WeakPolarHBondContact CG1-OD1 3.45Å; I605-N610 PolarHBondContact O-N 3.06Å; I605-N610 VanDerWaalsContact O-N 3.12Å; N610-F614 WeakPolarHBondContact O-CB 3.34Å; N610-F614 PolarHBondContact O-N 2.95Å; N610-W663 HydrophobicContact CB-CE3 4.4Å; N610-W663 HydrophobicContact CB-CZ3 4.15Å; N610-F667 HydrophobicContact CB-CE1 4.14Å
611	L	86.9	Confident	86.4	Confident	60 Å²	60	40.2 Å²	40.2	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-70.8	-42.2	173.1	-174.7	62.8	0	0	0	111.8	L607 I609 F614 I615 F667	L607-L611 HydrophobicContact CD1-CD2 4.11Å; L607-L611 WeakPolarHBondContact O-CB 3.19Å; I609-L611 PolarHBondContact O-N 3.02Å; L611-F614 PolarHBondContact O-N 3.09Å; L611-I615 HydrophobicContact CD1-CD1 4.41Å; L611-I615 HydrophobicContact CG-CD1 4.02Å; L611-I615 VanDerWaalsContact O-CG1 3.31Å; L611-I615 WeakPolarHBondContact O-CG1 3.29Å; L611-I615 PolarHBondContact O-N 3.19Å; L611-F667 HydrophobicContact CB-CE1 4.23Å; L611-F667 HydrophobicContact CB-CZ 4.43Å; L611-F667 HydrophobicContact CD1-CE2 4.28Å; L611-F667 HydrophobicContact CD1-CZ 4.3Å
612	A	89.9	Confident	86.1	Confident	50 Å²	50	40.5 Å²	40.5	41%	0.413	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-43.9	176.3	0	0	0	0	0	111.4	G608 I609 F614 I615 I616	G608-A612 WeakPolarHBondContact O-CB 3.21Å; G608-A612 PolarHBondContact O-N 3.02Å; I609-A612 PolarHBondContact O-N 2.92Å; A612-F614 PolarHBondContact O-N 2.87Å; A612-I615 PolarHBondContact O-N 3.13Å; A612-I616 WeakPolarHBondContact O-CD1 3.25Å; A612-I616 VanDerWaalsContact O-CG1 3.26Å; A612-I616 WeakPolarHBondContact O-CG1 3.36Å; A612-I616 PolarHBondContact O-N 3.37Å
613	A	88.8	Confident	85.9	Confident	6 Å²	6	42 Å²	42	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-49.7	171.1	0	0	0	0	0	111.9	V522 T526 I609 I615 I616 I617	V522-A613 HydrophobicContact CG1-CB 3.45Å; V522-A613 VanDerWaalsContact CG1-CB 3.45Å; T526-A613 HydrophobicContact CG2-CB 3.4Å; T526-A613 VanDerWaalsContact CG2-CB 3.4Å; I609-A613 VanDerWaalsContact O-CB 3.31Å; I609-A613 WeakPolarHBondContact O-CB 3.46Å; I609-A613 PolarHBondContact O-N 3.26Å; A613-I615 PolarHBondContact O-N 2.97Å; A613-I616 PolarHBondContact O-N 2.88Å; A613-I617 WeakPolarHBondContact O-CG1 3.36Å; A613-I617 PolarHBondContact O-N 2.85Å
614	F	86.8	Confident	85.5	Confident	42 Å²	42	40.5 Å²	40.5	18%	0.184	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-45.2	178.6	-177.3	-110.9	0	0	0	112.9	N610 L611 A612 I616 I617 V618 A660 F667	N610-F614 WeakPolarHBondContact O-CB 3.34Å; N610-F614 PolarHBondContact O-N 2.95Å; L611-F614 PolarHBondContact O-N 3.09Å; A612-F614 PolarHBondContact O-N 2.87Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.02Å; F614-I617 WeakPolarHBondContact O-CB 3.48Å; F614-I617 PolarHBondContact O-N 3.15Å; F614-V618 HydrophobicContact CD1-CG2 4.35Å; F614-V618 HydrophobicContact CD2-CG2 4.27Å; F614-V618 HydrophobicContact CE1-CG2 3.87Å; F614-V618 HydrophobicContact CE2-CG2 3.75Å; F614-V618 HydrophobicContact CZ-CG2 3.54Å; F614-V618 WeakPolarHBondContact O-CG2 2.93Å; F614-V618 PolarHBondContact O-N 2.04Å; F614-A660 HydrophobicContact CE2-CB 3.47Å; F614-A660 VanDerWaalsContact CE2-CB 3.47Å; F614-A660 HydrophobicContact CZ-CB 3.82Å; F614-F667 HydrophobicContact CB-CE2 4.29Å; F614-F667 HydrophobicContact CB-CZ 4.18Å; F614-F667 HydrophobicContact CD1-CE2 4.19Å; F614-F667 HydrophobicContact CG-CE2 4.19Å
615	I	88.1	Confident	85	Confident	100 Å²	100	44 Å²	44	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-44	176.2	-69.5	165.6	0	0	0	110.9	L611 A612 A613 I617 V618 F619	L611-I615 HydrophobicContact CD1-CD1 4.41Å; L611-I615 HydrophobicContact CG-CD1 4.02Å; L611-I615 VanDerWaalsContact O-CG1 3.31Å; L611-I615 WeakPolarHBondContact O-CG1 3.29Å; L611-I615 PolarHBondContact O-N 3.19Å; A612-I615 PolarHBondContact O-N 3.13Å; A613-I615 PolarHBondContact O-N 2.97Å; I615-I617 VanDerWaalsContact C-N 3.34Å; I615-I617 PolarHBondContact O-N 2.83Å; I615-V618 PolarHBondContact O-N 2.91Å; I615-F619 VanDerWaalsContact O-CB 3.27Å; I615-F619 WeakPolarHBondContact O-CB 3.29Å; I615-F619 PolarHBondContact O-N 2.99Å
616	I	88.8	Confident	84.7	Confident	71 Å²	71	51.4 Å²	51.4	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-43.2	177	-70.6	164.7	0	0	0	111	L530 A612 A613 F614 S620	L530-I616 HydrophobicContact CD1-CG2 4.05Å; L530-I616 HydrophobicContact CD2-CG2 3.87Å; L530-I616 HydrophobicContact CG-CG2 4Å; A612-I616 WeakPolarHBondContact O-CD1 3.25Å; A612-I616 VanDerWaalsContact O-CG1 3.26Å; A612-I616 WeakPolarHBondContact O-CG1 3.36Å; A612-I616 PolarHBondContact O-N 3.37Å; A613-I616 PolarHBondContact O-N 2.88Å; F614-I616 VanDerWaalsContact C-N 3.34Å; F614-I616 PolarHBondContact O-N 3.02Å; I616-S620 WeakPolarHBondContact O-CB 3.16Å; I616-S620 PolarHBondContact O-N 3.36Å; I616-S620 PolarHBondContact O-OG 3.45Å
617	I	85.6	Confident	84.4	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-55.9	176.5	-71.6	166.6	0	0	0	110	T526 T529 A613 F614 I615 F619 S620 Y621 V656	T526-I617 HydrophobicContact CG2-CD1 3.75Å; T526-I617 HydrophobicContact CG2-CG1 3.91Å; T529-I617 HydrophobicContact CG2-CG1 4.09Å; T529-I617 HydrophobicContact CG2-CG2 4.33Å; A613-I617 WeakPolarHBondContact O-CG1 3.36Å; A613-I617 PolarHBondContact O-N 2.85Å; F614-I617 WeakPolarHBondContact O-CB 3.48Å; F614-I617 PolarHBondContact O-N 3.15Å; I615-I617 VanDerWaalsContact C-N 3.34Å; I615-I617 PolarHBondContact O-N 2.83Å; I617-F619 PolarHBondContact O-N 3.07Å; I617-S620 PolarHBondContact O-N 3.49Å; I617-Y621 HydrophobicContact CG2-CD2 3.89Å; I617-Y621 HydrophobicContact CG2-CE2 4.07Å; I617-Y621 VanDerWaalsContact O-CD2 3.24Å; I617-Y621 WeakPolarHBondContact O-CD2 3.4Å; I617-Y621 PolarHBondContact O-N 3.37Å; I617-V656 HydrophobicContact CG2-CG1 3.75Å; I617-V656 HydrophobicContact CG2-CG2 4.23Å
618	V	84.4	Confident	83.9	Confident	71 Å²	71	51 Å²	51	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-45.8	-177.5	172.8	0	0	0	0	111.4	F614 I615 Y621 G622	F614-V618 HydrophobicContact CD1-CG2 4.35Å; F614-V618 HydrophobicContact CD2-CG2 4.27Å; F614-V618 HydrophobicContact CE1-CG2 3.87Å; F614-V618 HydrophobicContact CE2-CG2 3.75Å; F614-V618 HydrophobicContact CZ-CG2 3.54Å; F614-V618 WeakPolarHBondContact O-CG2 2.93Å; F614-V618 PolarHBondContact O-N 2.04Å; I615-V618 PolarHBondContact O-N 2.91Å; V618-Y621 PolarHBondContact O-N 3.11Å; V618-G622 PolarHBondContact O-N 3.43Å
619	F	87.5	Confident	83.3	Confident	131 Å²	131	53.7 Å²	53.7	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-60.7	-51.1	176.5	177.5	-96.4	0	0	0	111.8	I615 I617 Y621 G622 S623	I615-F619 VanDerWaalsContact O-CB 3.27Å; I615-F619 WeakPolarHBondContact O-CB 3.29Å; I615-F619 PolarHBondContact O-N 2.99Å; I617-F619 PolarHBondContact O-N 3.07Å; F619-Y621 PolarHBondContact O-N 3.37Å; F619-G622 PolarHBondContact O-N 3.32Å; F619-S623 PolarHBondContact O-N 3.38Å; F619-S623 PolarHBondContact O-OG 3.45Å
620	S	84.3	Confident	82.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-38.7	-179.8	-62.8	0	0	0	0	112	Y533 I616 I617 M624	Y533-S620 WeakPolarHBondContact CD2-O 3.19Å; I616-S620 WeakPolarHBondContact O-CB 3.16Å; I616-S620 PolarHBondContact O-N 3.36Å; I616-S620 PolarHBondContact O-OG 3.45Å; I617-S620 PolarHBondContact O-N 3.49Å; S620-M624 VanDerWaalsContact O-CB 3.24Å; S620-M624 WeakPolarHBondContact O-CB 3.17Å; S620-M624 PolarHBondContact O-N 3.45Å
621	Y	78.7	Confident	82.1	Confident	28 Å²	28	57.6 Å²	57.6	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-79.4	-36	178.1	-80.8	-67.1	0	0	0	114.7	T529 I617 V618 F619 S623 M624 F625 F652 V656	T529-Y621 HydrophobicContact CG2-CD2 4.29Å; T529-Y621 HydrophobicContact CG2-CE2 3.25Å; I617-Y621 HydrophobicContact CG2-CD2 3.89Å; I617-Y621 HydrophobicContact CG2-CE2 4.07Å; I617-Y621 VanDerWaalsContact O-CD2 3.24Å; I617-Y621 WeakPolarHBondContact O-CD2 3.4Å; I617-Y621 PolarHBondContact O-N 3.37Å; V618-Y621 PolarHBondContact O-N 3.11Å; F619-Y621 PolarHBondContact O-N 3.37Å; Y621-S623 VanDerWaalsContact C-N 3.32Å; Y621-S623 PolarHBondContact O-N 3.15Å; Y621-M624 HydrophobicContact CD1-CE 3.7Å; Y621-M624 HydrophobicContact CD1-SD 3.76Å; Y621-M624 HydrophobicContact CE1-CE 3.49Å; Y621-M624 VanDerWaalsContact CE1-CE 3.49Å; Y621-M624 HydrophobicContact CE1-SD 3.71Å; Y621-M624 PolarHBondContact O-N 3.42Å; Y621-F625 WeakPolarHBondContact O-CB 3.18Å; Y621-F625 PolarHBondContact O-N 3Å; Y621-F652 HydrophobicContact CD1-CB 4.42Å; Y621-F652 HydrophobicContact CE1-CB 3.56Å; Y621-F652 HydrophobicContact CE1-CG 4.16Å; Y621-V656 HydrophobicContact CD1-CG2 4.33Å; Y621-V656 HydrophobicContact CD2-CB 4.31Å; Y621-V656 HydrophobicContact CD2-CG1 4.19Å; Y621-V656 HydrophobicContact CD2-CG2 3.21Å; Y621-V656 HydrophobicContact CE1-CG2 4.2Å; Y621-V656 HydrophobicContact CE2-CB 4.38Å; Y621-V656 HydrophobicContact CE2-CG2 2.98Å; Y621-V656 HydrophobicContact CG-CG2 3.87Å
622	G	81.4	Confident	81.2	Confident	45 Å²	45	56.1 Å²	56.1	46%	0.464	30%	0.301	S	S	.	.	H	α-helix	trans	-56.6	-49	170.8	0	0	0	0	0	111	V618 F619 F625 Y626	V618-G622 PolarHBondContact O-N 3.43Å; F619-G622 PolarHBondContact O-N 3.32Å; G622-F625 PolarHBondContact O-N 2.98Å; G622-Y626 WeakPolarHBondContact O-CB 3.46Å; G622-Y626 PolarHBondContact O-N 3.02Å
623	S	81.9	Confident	80.1	Confident	32 Å²	32	58.8 Å²	58.8	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-38.3	176.3	-58.4	0	0	0	0	113.4	F619 Y621 S627	F619-S623 PolarHBondContact O-N 3.38Å; F619-S623 PolarHBondContact O-OG 3.45Å; Y621-S623 VanDerWaalsContact C-N 3.32Å; Y621-S623 PolarHBondContact O-N 3.15Å; S623-S627 VanDerWaalsContact O-CB 3.29Å; S623-S627 WeakPolarHBondContact O-CB 3.47Å; S623-S627 PolarHBondContact O-N 2.95Å
624	M	78.1	Confident	79	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.02	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-46.5	175	-174.7	-168.1	-57.6	0	0	111.7	K532 I536 S620 Y621 S627 V628	K532-M624 HydrophobicContact CB-CE 3.73Å; I536-M624 HydrophobicContact CB-CG 4.21Å; I536-M624 HydrophobicContact CD1-CE 4.12Å; I536-M624 HydrophobicContact CD1-CG 3.73Å; I536-M624 HydrophobicContact CD1-SD 3.53Å; I536-M624 VanDerWaalsContact CD1-SD 3.53Å; I536-M624 HydrophobicContact CG2-CG 3.89Å; S620-M624 VanDerWaalsContact O-CB 3.24Å; S620-M624 WeakPolarHBondContact O-CB 3.17Å; S620-M624 PolarHBondContact O-N 3.45Å; Y621-M624 HydrophobicContact CD1-CE 3.7Å; Y621-M624 HydrophobicContact CD1-SD 3.76Å; Y621-M624 HydrophobicContact CE1-CE 3.49Å; Y621-M624 VanDerWaalsContact CE1-CE 3.49Å; Y621-M624 HydrophobicContact CE1-SD 3.71Å; Y621-M624 PolarHBondContact O-N 3.42Å; M624-S627 PolarHBondContact O-N 3.37Å; M624-V628 WeakPolarHBondContact O-CG2 3.26Å; M624-V628 PolarHBondContact O-N 2.84Å
625	F	77.8	Confident	77.6	Confident	123 Å²	123	63.3 Å²	63.3	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-43.6	178.3	-174.9	-94.3	0	0	0	111.5	Y621 G622 S627 V628 H629	Y621-F625 WeakPolarHBondContact O-CB 3.18Å; Y621-F625 PolarHBondContact O-N 3Å; G622-F625 PolarHBondContact O-N 2.98Å; F625-S627 PolarHBondContact O-N 2.86Å; F625-V628 PolarHBondContact O-N 2.73Å; F625-H629 WeakPolarHBondContact O-CB 3.36Å; F625-H629 PolarHBondContact O-N 3.11Å
626	Y	81.1	Confident	76.1	Confident	160 Å²	160	64.9 Å²	64.9	63%	0.627	36%	0.356	S	S	*	.	H	α-helix	trans	-58.7	-46.5	174.6	-179.2	-96.8	0	0	0	112	G622 H629 Q630	G622-Y626 WeakPolarHBondContact O-CB 3.46Å; G622-Y626 PolarHBondContact O-N 3.02Å; Y626-H629 PolarHBondContact O-N 3.3Å; Y626-Q630 WeakPolarHBondContact O-CB 3.26Å; Y626-Q630 PolarHBondContact O-N 3.31Å
627	S	77	Confident	74.4	Confident	25 Å²	25	70.3 Å²	70.3	18%	0.175	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-43	178.1	177.9	0	0	0	0	112.6	S623 M624 F625 S631	S623-S627 VanDerWaalsContact O-CB 3.29Å; S623-S627 WeakPolarHBondContact O-CB 3.47Å; S623-S627 PolarHBondContact O-N 2.95Å; M624-S627 PolarHBondContact O-N 3.37Å; F625-S627 PolarHBondContact O-N 2.86Å; S627-S631 WeakPolarHBondContact O-CB 3.43Å; S627-S631 PolarHBondContact O-N 2.84Å; S627-S631 PolarHBondContact O-OG 2.9Å
628	V	72.4	Confident	73.1	Confident	13 Å²	13	74.2 Å²	74.2	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-39.9	174.9	172.1	0	0	0	0	111.6	I536 M624 F625 S631 A632 M646	I536-V628 HydrophobicContact CG2-CG2 3.88Å; M624-V628 WeakPolarHBondContact O-CG2 3.26Å; M624-V628 PolarHBondContact O-N 2.84Å; F625-V628 PolarHBondContact O-N 2.73Å; V628-S631 PolarHBondContact O-N 3.08Å; V628-A632 WeakPolarHBondContact O-CB 3.46Å; V628-A632 PolarHBondContact O-N 2.81Å; V628-M646 HydrophobicContact CG1-CG 4.22Å
629	H	75.5	Confident	71.8	Confident	93 Å²	93	77.6 Å²	77.6	43%	0.431	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-45	177.1	-171.1	-91.4	0	0	0	112.1	F625 Y626 S631 A632 I633	F625-H629 WeakPolarHBondContact O-CB 3.36Å; F625-H629 PolarHBondContact O-N 3.11Å; Y626-H629 PolarHBondContact O-N 3.3Å; H629-S631 VanDerWaalsContact C-N 3.33Å; H629-S631 PolarHBondContact O-N 3.07Å; H629-A632 WeakPolarHBondContact O-CB 3.36Å; H629-A632 PolarHBondContact O-N 3.43Å; H629-I633 PolarHBondContact O-N 2.71Å
630	Q	77.2	Confident	70.5	Confident	87 Å²	87	77.8 Å²	77.8	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-59.6	-45.8	174.8	-172.4	65.2	15.6	0	0	111	Y626 A632 I633 T634	Y626-Q630 WeakPolarHBondContact O-CB 3.26Å; Y626-Q630 PolarHBondContact O-N 3.31Å; Q630-A632 PolarHBondContact O-N 3.02Å; Q630-I633 PolarHBondContact O-N 3.3Å; Q630-T634 PolarHBondContact O-N 3.06Å; Q630-T634 VanDerWaalsContact O-N 3.09Å; Q630-T634 PolarHBondContact O-OG1 3.06Å; Q630-T634 VanDerWaalsContact O-OG1 3.05Å
631	S	71.7	Confident	69.3	Low	61 Å²	61	85.9 Å²	85.9	43%	0.427	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-29.9	178.4	-55.5	0	0	0	0	112.7	S627 V628 H629 A635	S627-S631 WeakPolarHBondContact O-CB 3.43Å; S627-S631 PolarHBondContact O-N 2.84Å; S627-S631 PolarHBondContact O-OG 2.9Å; V628-S631 PolarHBondContact O-N 3.08Å; H629-S631 VanDerWaalsContact C-N 3.33Å; H629-S631 PolarHBondContact O-N 3.07Å; S631-A635 PolarHBondContact O-N 2.96Å
632	A	67.8	Low	68.4	Low	30 Å²	30	85.9 Å²	85.9	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-72.1	-27.6	174	0	0	0	0	0	113.5	V628 H629 Q630 V642 M646	V628-A632 WeakPolarHBondContact O-CB 3.46Å; V628-A632 PolarHBondContact O-N 2.81Å; H629-A632 WeakPolarHBondContact O-CB 3.36Å; H629-A632 PolarHBondContact O-N 3.43Å; Q630-A632 PolarHBondContact O-N 3.02Å; A632-V642 HydrophobicContact CB-CG1 3.55Å; A632-M646 HydrophobicContact CB-CE 3.87Å
633	I	67.4	Low	67.5	Low	106 Å²	106	90.1 Å²	90.1	54%	0.544	46%	0.456	S	S	.	.	H	α-helix	trans	-79.3	-41.1	175.7	-65.3	169.6	0	0	0	110.8	H629 Q630	H629-I633 PolarHBondContact O-N 2.71Å; Q630-I633 PolarHBondContact O-N 3.3Å
634	T	65.1	Low	66.6	Low	108 Å²	108	95.1 Å²	95.1	66%	0.663	47%	0.474	S	S	*	.	H	α-helix	trans	-78.9	-18.5	-173.2	-40.8	0	0	0	0	114.1	Q630	Q630-T634 PolarHBondContact O-N 3.06Å; Q630-T634 VanDerWaalsContact O-N 3.09Å; Q630-T634 PolarHBondContact O-OG1 3.06Å; Q630-T634 VanDerWaalsContact O-OG1 3.05Å
635	A	58.5	Low	66	Low	35 Å²	35	99.6 Å²	99.6	29%	0.289	50%	0.495	S	S	.	.			trans	-121.1	80.9	-174	0	0	0	0	0	113.2	S631 E637	S631-A635 PolarHBondContact O-N 2.96Å; A635-E637 VanDerWaalsContact C-N 3.27Å; A635-E637 PolarHBondContact O-N 3.2Å
636	T	56.1	Low	65.3	Low	133 Å²	133	97.1 Å²	97.1	82%	0.816	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.7	177.4	43.3	0	0	0	0	114.1
637	E	53.2	Low	64.7	Low	185 Å²	185	93.6 Å²	93.6	86%	0.864	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.8	-170.8	-156.5	160	-158.7	0	0	114.6	A635	A635-E637 VanDerWaalsContact C-N 3.27Å; A635-E637 PolarHBondContact O-N 3.2Å
638	I	58.1	Low	64.2	Low	87 Å²	87	96.4 Å²	96.4	45%	0.446	49%	0.49	S	S	.	.			trans	-116.7	40.3	-176.6	-33.5	-177.5	0	0	0	112.8	N640 R641 V642	I638-N640 PolarHBondContact O-N 3.1Å; I638-R641 HydrophobicContact CG2-CB 3.7Å; I638-R641 HydrophobicContact CG2-CG 3.76Å; I638-R641 PolarHBondContact O-N 2.98Å; I638-V642 PolarHBondContact O-N 2.88Å
639	Q	57.1	Low	63.8	Low	142 Å²	142	96.4 Å²	96.4	66%	0.664	49%	0.491	S	S	*	.	H	α-helix	trans	-49.3	-34.9	-175.9	-159.2	-177.7	30.5	0	0	113.8	K643	Q639-K643 WeakPolarHBondContact O-CB 3.45Å; Q639-K643 PolarHBondContact O-N 3.07Å
640	N	59.8	Low	63.5	Low	134 Å²	134	98.9 Å²	98.9	72%	0.717	50%	0.5	S	S	*	.	H	α-helix	trans	-78.4	-29.6	-178.6	-78.8	-29.4	0	0	0	115.2	I638 K644	I638-N640 PolarHBondContact O-N 3.1Å; N640-K644 PolarHBondContact O-N 3.03Å
641	R	59.4	Low	63.2	Low	173 Å²	173	97.9 Å²	97.9	65%	0.653	49%	0.493	S	S	*	.	H	α-helix	trans	-72.3	-46.9	170	-77.5	-167.2	178.7	177	0.4	110.1	I638 K643 K644 E645	I638-R641 HydrophobicContact CG2-CB 3.7Å; I638-R641 HydrophobicContact CG2-CG 3.76Å; I638-R641 PolarHBondContact O-N 2.98Å; R641-K643 VanDerWaalsContact C-N 3.31Å; R641-K643 PolarHBondContact O-N 3.12Å; R641-K644 WeakPolarHBondContact O-CA 3.02Å; R641-K644 WeakPolarHBondContact O-CB 2.97Å; R641-K644 PolarHBondContact O-N 3.26Å; R641-E645 PolarHBondContact O-N 3.37Å
642	V	60.3	Low	63.1	Low	28 Å²	28	96.3 Å²	96.3	17%	0.17	48%	0.478	C	S	.	.	H	α-helix	trans	-56	-44.7	179.1	177.5	0	0	0	0	111.1	A632 I638 K644 E645 M646	A632-V642 HydrophobicContact CB-CG1 3.55Å; I638-V642 PolarHBondContact O-N 2.88Å; V642-K644 VanDerWaalsContact C-N 3.33Å; V642-K644 PolarHBondContact O-N 2.82Å; V642-E645 PolarHBondContact O-N 2.86Å; V642-M646 HydrophobicContact CG1-CE 4.44Å; V642-M646 HydrophobicContact CG1-CG 4.38Å; V642-M646 HydrophobicContact CG1-SD 4.38Å; V642-M646 WeakPolarHBondContact O-CB 3.48Å; V642-M646 WeakPolarHBondContact O-CG 3.18Å; V642-M646 PolarHBondContact O-N 3.3Å
643	K	62.4	Low	63.3	Low	133 Å²	133	100.6 Å²	100.6	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-58.6	-39.8	173.9	-118	174.3	-178.5	171.1	0	113.2	Q639 R641 I647	Q639-K643 WeakPolarHBondContact O-CB 3.45Å; Q639-K643 PolarHBondContact O-N 3.07Å; R641-K643 VanDerWaalsContact C-N 3.31Å; R641-K643 PolarHBondContact O-N 3.12Å; K643-I647 WeakPolarHBondContact O-CD1 3.3Å; K643-I647 VanDerWaalsContact O-CG1 3.25Å; K643-I647 WeakPolarHBondContact O-CG1 3.04Å; K643-I647 PolarHBondContact O-N 3.15Å
644	K	63.4	Low	63.5	Low	138 Å²	138	101.7 Å²	101.7	60%	0.6	49%	0.493	S	S	*	.	H	α-helix	trans	-71.5	-39.4	-179	-168	174.2	-179.2	178.2	0	111.5	N640 R641 V642 L648	N640-K644 PolarHBondContact O-N 3.03Å; R641-K644 WeakPolarHBondContact O-CA 3.02Å; R641-K644 WeakPolarHBondContact O-CB 2.97Å; R641-K644 PolarHBondContact O-N 3.26Å; V642-K644 VanDerWaalsContact C-N 3.33Å; V642-K644 PolarHBondContact O-N 2.82Å; K644-L648 WeakPolarHBondContact O-CG 3.42Å; K644-L648 PolarHBondContact O-N 2.98Å
645	E	63.9	Low	63.9	Low	97 Å²	97	96.9 Å²	96.9	45%	0.453	46%	0.463	S	S	.	.	H	α-helix	trans	-74.4	-37.6	178	-69.9	178	-174.8	0	0	112.3	R641 V642 I647 L648 A649	R641-E645 PolarHBondContact O-N 3.37Å; V642-E645 PolarHBondContact O-N 2.86Å; E645-I647 VanDerWaalsContact C-N 3.32Å; E645-I647 PolarHBondContact O-N 3.1Å; E645-L648 WeakPolarHBondContact O-CB 3.45Å; E645-L648 PolarHBondContact O-N 3.06Å; E645-L648 VanDerWaalsContact O-N 3.14Å; E645-A649 WeakPolarHBondContact O-CB 3.5Å; E645-A649 PolarHBondContact O-N 3.14Å
646	M	64.4	Low	64.5	Low	72 Å²	72	96.2 Å²	96.2	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-36.7	171.3	-80.2	-167.8	162.6	0	0	113.2	V628 A632 V642 L648 A649 K650	V628-M646 HydrophobicContact CG1-CG 4.22Å; A632-M646 HydrophobicContact CB-CE 3.87Å; V642-M646 HydrophobicContact CG1-CE 4.44Å; V642-M646 HydrophobicContact CG1-CG 4.38Å; V642-M646 HydrophobicContact CG1-SD 4.38Å; V642-M646 WeakPolarHBondContact O-CB 3.48Å; V642-M646 WeakPolarHBondContact O-CG 3.18Å; V642-M646 PolarHBondContact O-N 3.3Å; M646-L648 VanDerWaalsContact C-N 3.33Å; M646-A649 PolarHBondContact O-N 3.21Å; M646-K650 WeakPolarHBondContact O-CB 3.49Å; M646-K650 WeakPolarHBondContact O-CG 3.36Å; M646-K650 PolarHBondContact O-N 2.91Å
647	I	67.6	Low	65.5	Low	86 Å²	86	94.6 Å²	94.6	44%	0.441	44%	0.437	S	S	.	.	H	α-helix	trans	-66.9	-36.5	175.2	-70.8	166.8	0	0	0	111	K643 E645 R651	K643-I647 WeakPolarHBondContact O-CD1 3.3Å; K643-I647 VanDerWaalsContact O-CG1 3.25Å; K643-I647 WeakPolarHBondContact O-CG1 3.04Å; K643-I647 PolarHBondContact O-N 3.15Å; E645-I647 VanDerWaalsContact C-N 3.32Å; E645-I647 PolarHBondContact O-N 3.1Å; I647-R651 PolarHBondContact O-N 3.16Å
648	L	66.1	Low	66.8	Low	84 Å²	84	87.3 Å²	87.3	44%	0.44	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-47.7	173.9	-69.8	167.3	0	0	0	111.3	K644 E645 M646 K650 R651 F652	K644-L648 WeakPolarHBondContact O-CG 3.42Å; K644-L648 PolarHBondContact O-N 2.98Å; E645-L648 WeakPolarHBondContact O-CB 3.45Å; E645-L648 PolarHBondContact O-N 3.06Å; E645-L648 VanDerWaalsContact O-N 3.14Å; M646-L648 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 2.9Å; L648-R651 WeakPolarHBondContact O-CB 3.35Å; L648-R651 PolarHBondContact O-N 3.5Å; L648-R651 VanDerWaalsContact O-N 3.13Å; L648-F652 HydrophobicContact CB-CE2 4.48Å; L648-F652 WeakPolarHBondContact O-CD2 3.05Å; L648-F652 PolarHBondContact O-N 3.48Å
649	A	64.6	Low	67.6	Low	13 Å²	13	83.8 Å²	83.8	11%	0.107	39%	0.387	C	S	.	.	H	α-helix	trans	-59.8	-45.3	178.6	0	0	0	0	0	112.3	E645 M646 R651 F652 F653	E645-A649 WeakPolarHBondContact O-CB 3.5Å; E645-A649 PolarHBondContact O-N 3.14Å; M646-A649 PolarHBondContact O-N 3.21Å; A649-R651 VanDerWaalsContact C-N 3.28Å; A649-R651 PolarHBondContact O-N 3.32Å; A649-F652 PolarHBondContact O-N 3.3Å; A649-F653 PolarHBondContact O-N 3.15Å
650	K	68.9	Low	68.7	Low	144 Å²	144	77.6 Å²	77.6	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-59.7	-36.5	174.2	-79.1	-174.4	174	-173.9	0	112.9	M646 L648 F654	M646-K650 WeakPolarHBondContact O-CB 3.49Å; M646-K650 WeakPolarHBondContact O-CG 3.36Å; M646-K650 PolarHBondContact O-N 2.91Å; L648-K650 PolarHBondContact O-N 2.9Å; K650-F654 VanDerWaalsContact O-CD2 3.29Å; K650-F654 WeakPolarHBondContact O-CD2 3.3Å; K650-F654 PolarHBondContact O-N 3.18Å
651	R	71	Confident	69.8	Low	67 Å²	67	75.5 Å²	75.5	25%	0.253	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-46.1	176.3	-175.1	172.5	173.3	-143.5	-4	111.2	I647 L648 A649 F653 F654 I655 L702 Y703 T706	I647-R651 PolarHBondContact O-N 3.16Å; L648-R651 WeakPolarHBondContact O-CB 3.35Å; L648-R651 PolarHBondContact O-N 3.5Å; L648-R651 VanDerWaalsContact O-N 3.13Å; A649-R651 VanDerWaalsContact C-N 3.28Å; A649-R651 PolarHBondContact O-N 3.32Å; R651-F653 VanDerWaalsContact C-N 3.32Å; R651-F653 PolarHBondContact O-N 2.93Å; R651-F654 PolarHBondContact O-N 3.29Å; R651-I655 WeakPolarHBondContact O-CG1 3.13Å; R651-I655 PolarHBondContact O-N 2.84Å; R651-L702 PolarHBondContact NE-O 2.96Å; R651-L702 PolarHBondContact NH2-O 3.4Å; R651-Y703 PolarHBondContact NH2-O 2.82Å; R651-T706 PolarHBondContact NE-OG1 3.06Å; R651-T706 VanDerWaalsContact NE-OG1 3.12Å; R651-T706 PolarHBondContact NH2-OG1 3.09Å
652	F	69.9	Low	70.9	Confident	27 Å²	27	68 Å²	68	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-36.7	176	-71.6	-65.6	0	0	0	112.8	K532 Y621 L648 A649 F654 I655 V656	K532-F652 HydrophobicContact CG-CZ 4.29Å; Y621-F652 HydrophobicContact CD1-CB 4.42Å; Y621-F652 HydrophobicContact CE1-CB 3.56Å; Y621-F652 HydrophobicContact CE1-CG 4.16Å; L648-F652 HydrophobicContact CB-CE2 4.48Å; L648-F652 WeakPolarHBondContact O-CD2 3.05Å; L648-F652 PolarHBondContact O-N 3.48Å; A649-F652 PolarHBondContact O-N 3.3Å; F652-F654 VanDerWaalsContact C-N 3.33Å; F652-F654 PolarHBondContact O-N 2.93Å; F652-I655 HydrophobicContact CD1-CD1 4.17Å; F652-I655 WeakPolarHBondContact O-CB 3.15Å; F652-I655 PolarHBondContact O-N 2.91Å; F652-I655 VanDerWaalsContact O-N 3.14Å; F652-V656 VanDerWaalsContact O-CG2 3.27Å; F652-V656 WeakPolarHBondContact O-CG2 3.43Å; F652-V656 PolarHBondContact O-N 3.13Å
653	F	71.9	Confident	71.9	Confident	121 Å²	121	67.3 Å²	67.3	53%	0.531	32%	0.317	S	S	.	.	H	α-helix	trans	-54.2	-47.1	172.8	174	-93.6	0	0	0	112.2	A649 R651 I655 V656 F657	A649-F653 PolarHBondContact O-N 3.15Å; R651-F653 VanDerWaalsContact C-N 3.32Å; R651-F653 PolarHBondContact O-N 2.93Å; F653-I655 VanDerWaalsContact C-N 3.34Å; F653-I655 PolarHBondContact O-N 2.03Å; F653-V656 PolarHBondContact O-N 3.4Å; F653-F657 VanDerWaalsContact O-CB 3.23Å; F653-F657 WeakPolarHBondContact O-CB 3.26Å; F653-F657 PolarHBondContact O-N 3.34Å
654	F	71.9	Confident	73	Confident	128 Å²	128	65 Å²	65	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-62.9	-38.2	177.2	-82.8	-69.3	0	0	0	113.2	K650 R651 F652 F657 T658	K650-F654 VanDerWaalsContact O-CD2 3.29Å; K650-F654 WeakPolarHBondContact O-CD2 3.3Å; K650-F654 PolarHBondContact O-N 3.18Å; R651-F654 PolarHBondContact O-N 3.29Å; F652-F654 VanDerWaalsContact C-N 3.33Å; F652-F654 PolarHBondContact O-N 2.93Å; F654-F657 PolarHBondContact O-N 3.01Å; F654-T658 PolarHBondContact O-N 2.74Å; F654-T658 PolarHBondContact O-OG1 3.04Å
655	I	73	Confident	74	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-47.5	178	-61.7	178.2	0	0	0	110.9	R651 F652 F653 F657 T658 D659 L702 Y703	R651-I655 WeakPolarHBondContact O-CG1 3.13Å; R651-I655 PolarHBondContact O-N 2.84Å; F652-I655 HydrophobicContact CD1-CD1 4.17Å; F652-I655 WeakPolarHBondContact O-CB 3.15Å; F652-I655 PolarHBondContact O-N 2.91Å; F652-I655 VanDerWaalsContact O-N 3.14Å; F653-I655 VanDerWaalsContact C-N 3.34Å; F653-I655 PolarHBondContact O-N 2.03Å; I655-F657 VanDerWaalsContact C-N 3.35Å; I655-T658 PolarHBondContact O-N 3.45Å; I655-T658 PolarHBondContact O-OG1 3.38Å; I655-D659 PolarHBondContact O-N 2.88Å; I655-D659 VanDerWaalsContact O-N 3.14Å; I655-L702 HydrophobicContact CD1-CB 4.39Å; I655-L702 HydrophobicContact CG1-CB 4.02Å; I655-L702 HydrophobicContact CG1-CD2 4.1Å; I655-L702 HydrophobicContact CG1-CG 4.43Å; I655-Y703 HydrophobicContact CD1-CD1 4.27Å; I655-Y703 HydrophobicContact CD1-CE1 4.06Å; I655-Y703 HydrophobicContact CG2-CE1 4.45Å; I655-Y703 HydrophobicContact CG2-CE2 3.87Å; I655-Y703 WeakPolarHBondContact CG2-OH 3.18Å
656	V	71.2	Confident	75	Confident	21 Å²	21	55.7 Å²	55.7	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-41.3	179.2	177	0	0	0	0	111	I617 Y621 F652 F653 D659 A660	I617-V656 HydrophobicContact CG2-CG1 3.75Å; I617-V656 HydrophobicContact CG2-CG2 4.23Å; Y621-V656 HydrophobicContact CD1-CG2 4.33Å; Y621-V656 HydrophobicContact CD2-CB 4.31Å; Y621-V656 HydrophobicContact CD2-CG1 4.19Å; Y621-V656 HydrophobicContact CD2-CG2 3.21Å; Y621-V656 HydrophobicContact CE1-CG2 4.2Å; Y621-V656 HydrophobicContact CE2-CB 4.38Å; Y621-V656 HydrophobicContact CE2-CG2 2.98Å; Y621-V656 HydrophobicContact CG-CG2 3.87Å; F652-V656 VanDerWaalsContact O-CG2 3.27Å; F652-V656 WeakPolarHBondContact O-CG2 3.43Å; F652-V656 PolarHBondContact O-N 3.13Å; F653-V656 PolarHBondContact O-N 3.4Å; V656-D659 PolarHBondContact O-N 2.96Å; V656-A660 WeakPolarHBondContact O-CB 3.3Å; V656-A660 PolarHBondContact O-N 2.99Å
657	F	78.2	Confident	76	Confident	99 Å²	99	53.4 Å²	53.4	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-41.7	178.9	-178.1	-105.6	0	0	0	111.8	F653 F654 I655 L661	F653-F657 VanDerWaalsContact O-CB 3.23Å; F653-F657 WeakPolarHBondContact O-CB 3.26Å; F653-F657 PolarHBondContact O-N 3.34Å; F654-F657 PolarHBondContact O-N 3.01Å; I655-F657 VanDerWaalsContact C-N 3.35Å; F657-L661 HydrophobicContact CD1-CD1 3.97Å; F657-L661 HydrophobicContact CE1-CD1 3.47Å; F657-L661 VanDerWaalsContact CE1-CD1 3.47Å; F657-L661 HydrophobicContact CE1-CG 4.32Å; F657-L661 HydrophobicContact CE2-CD1 4.34Å; F657-L661 HydrophobicContact CE2-CG 4.39Å; F657-L661 HydrophobicContact CZ-CD1 3.69Å; F657-L661 HydrophobicContact CZ-CD2 4.4Å; F657-L661 HydrophobicContact CZ-CG 4.2Å; F657-L661 VanDerWaalsContact O-CG 3.31Å; F657-L661 WeakPolarHBondContact O-CG 3.43Å; F657-L661 PolarHBondContact O-N 2.9Å
658	T	80.3	Confident	76.8	Confident	33 Å²	33	53 Å²	53	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-41.7	175	44.4	0	0	0	0	112.7	F654 I655 C662 L702	F654-T658 PolarHBondContact O-N 2.74Å; F654-T658 PolarHBondContact O-OG1 3.04Å; I655-T658 PolarHBondContact O-N 3.45Å; I655-T658 PolarHBondContact O-OG1 3.38Å; T658-C662 PolarHBondContact O-N 3.01Å; T658-C662 PolarHBondContact O-SG 3.07Å; T658-L702 WeakPolarHBondContact OG1-CD1 3.36Å
659	D	75.3	Confident	77.6	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-46.4	177.4	-173.8	45.3	0	0	0	111.2	I655 V656 L661 C662 W663 N695	I655-D659 PolarHBondContact O-N 2.88Å; I655-D659 VanDerWaalsContact O-N 3.14Å; V656-D659 PolarHBondContact O-N 2.96Å; D659-L661 VanDerWaalsContact C-N 3.33Å; D659-L661 PolarHBondContact O-N 2.67Å; D659-C662 PolarHBondContact O-N 2.89Å; D659-W663 PolarHBondContact O-N 3.25Å; D659-W663 VanDerWaalsContact O-N 3.14Å; D659-W663 VanDerWaalsContact OD1-CD1 3.23Å; D659-W663 PolarHBondContact OD1-NE1 2.8Å; D659-N695 PolarHBondContact OD1-ND2 3.19Å
660	A	78.4	Confident	78.5	Confident	12 Å²	12	48.8 Å²	48.8	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-53.3	-46.3	175.6	0	0	0	0	0	113.1	F614 V656 C662 W663 I664	F614-A660 HydrophobicContact CE2-CB 3.47Å; F614-A660 VanDerWaalsContact CE2-CB 3.47Å; F614-A660 HydrophobicContact CZ-CB 3.82Å; V656-A660 WeakPolarHBondContact O-CB 3.3Å; V656-A660 PolarHBondContact O-N 2.99Å; A660-C662 PolarHBondContact O-N 3.35Å; A660-W663 PolarHBondContact O-N 2.78Å; A660-I664 VanDerWaalsContact O-CG1 3.31Å; A660-I664 WeakPolarHBondContact O-CG1 3.16Å; A660-I664 PolarHBondContact O-N 3.21Å; A660-I664 VanDerWaalsContact O-N 3.09Å
661	L	82.8	Confident	79.3	Confident	90 Å²	90	47.5 Å²	47.5	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-28.3	179.5	-75.7	178.2	0	0	0	113	F657 D659 P665	F657-L661 HydrophobicContact CD1-CD1 3.97Å; F657-L661 HydrophobicContact CE1-CD1 3.47Å; F657-L661 VanDerWaalsContact CE1-CD1 3.47Å; F657-L661 HydrophobicContact CE1-CG 4.32Å; F657-L661 HydrophobicContact CE2-CD1 4.34Å; F657-L661 HydrophobicContact CE2-CG 4.39Å; F657-L661 HydrophobicContact CZ-CD1 3.69Å; F657-L661 HydrophobicContact CZ-CD2 4.4Å; F657-L661 HydrophobicContact CZ-CG 4.2Å; F657-L661 VanDerWaalsContact O-CG 3.31Å; F657-L661 WeakPolarHBondContact O-CG 3.43Å; F657-L661 PolarHBondContact O-N 2.9Å; D659-L661 VanDerWaalsContact C-N 3.33Å; D659-L661 PolarHBondContact O-N 2.67Å; L661-P665 WeakPolarHBondContact O-CD 3.4Å
662	C	82.8	Confident	79.8	Confident	14 Å²	14	47.2 Å²	47.2	10%	0.095	24%	0.235	C	C	.	.	H	α-helix	trans	-83.5	-28.7	178.4	-60.8	0	0	0	0	112.6	T658 D659 A660 I691 N695	T658-C662 PolarHBondContact O-N 3.01Å; T658-C662 PolarHBondContact O-SG 3.07Å; D659-C662 PolarHBondContact O-N 2.89Å; A660-C662 PolarHBondContact O-N 3.35Å; C662-I691 HydrophobicContact CB-CG2 3.91Å; C662-I691 WeakPolarHBondContact O-CG2 3.14Å; C662-N695 WeakPolarHBondContact CB-ND2 3.49Å; C662-N695 PolarHBondContact SG-OD1 3.25Å
663	W	82.8	Confident	80.2	Confident	14 Å²	14	46.5 Å²	46.5	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-80.9	-29.8	176.2	-73.3	105.4	0	0	0	114.5	V522 N610 D659 A660 I666 F667	V522-W663 HydrophobicContact CG2-CH2 3.79Å; V522-W663 HydrophobicContact CG2-CZ2 3.15Å; N610-W663 HydrophobicContact CB-CE3 4.4Å; N610-W663 HydrophobicContact CB-CZ3 4.15Å; D659-W663 PolarHBondContact O-N 3.25Å; D659-W663 VanDerWaalsContact O-N 3.14Å; D659-W663 VanDerWaalsContact OD1-CD1 3.23Å; D659-W663 PolarHBondContact OD1-NE1 2.8Å; A660-W663 PolarHBondContact O-N 2.78Å; W663-I666 HydrophobicContact CD2-CD1 4.22Å; W663-I666 HydrophobicContact CE3-CB 4.21Å; W663-I666 HydrophobicContact CE3-CD1 3.64Å; W663-I666 HydrophobicContact CE3-CG2 4.13Å; W663-I666 HydrophobicContact CH2-CD1 4.35Å; W663-I666 HydrophobicContact CZ3-CD1 3.73Å; W663-I666 HydrophobicContact CZ3-CG2 4.13Å; W663-I666 WeakPolarHBondContact O-CB 3.46Å; W663-I666 PolarHBondContact O-N 3.33Å; W663-I666 VanDerWaalsContact O-N 3.08Å; W663-F667 HydrophobicContact CB-CD2 4.3Å; W663-F667 HydrophobicContact CB-CE2 3.7Å; W663-F667 HydrophobicContact CB-CZ 4.02Å; W663-F667 HydrophobicContact CE3-CE1 4.45Å; W663-F667 HydrophobicContact CE3-CZ 4.42Å; W663-F667 VanDerWaalsContact O-CD2 3.29Å; W663-F667 WeakPolarHBondContact O-CD2 3.4Å; W663-F667 WeakPolarHBondContact O-CG 3.48Å; W663-F667 PolarHBondContact O-N 2.99Å
664	I	84.2	Confident	80.5	Confident	85 Å²	85	44.3 Å²	44.3	44%	0.436	23%	0.227	S	C	.	.	H	α-helix	trans	-53.5	-49.7	178.2	-73.9	161.4	0	0	0	112.5	A660 I666 F667 V668	A660-I664 VanDerWaalsContact O-CG1 3.31Å; A660-I664 WeakPolarHBondContact O-CG1 3.16Å; A660-I664 PolarHBondContact O-N 3.21Å; A660-I664 VanDerWaalsContact O-N 3.09Å; I664-I666 VanDerWaalsContact C-N 3.3Å; I664-I666 PolarHBondContact O-N 3.45Å; I664-F667 PolarHBondContact O-N 2.99Å; I664-V668 HydrophobicContact CG2-CG2 4.38Å; I664-V668 WeakPolarHBondContact O-CG2 3.32Å; I664-V668 PolarHBondContact O-N 2.98Å
665	P	84.8	Confident	80.9	Confident	37 Å²	37	43 Å²	43	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-37.1	176	-27.1	36.2	0	0	0	113.9	L661 V668 V669 V687 I691	L661-P665 WeakPolarHBondContact O-CD 3.4Å; P665-V668 PolarHBondContact O-N 3.07Å; P665-V669 WeakPolarHBondContact O-CB 3.25Å; P665-V669 WeakPolarHBondContact O-CG2 3.49Å; P665-V669 PolarHBondContact O-N 3.17Å; P665-V687 HydrophobicContact CB-CG2 4.34Å; P665-I691 HydrophobicContact CB-CD1 3.93Å; P665-I691 HydrophobicContact CG-CD1 3.97Å; P665-I691 HydrophobicContact CG-CG2 4.35Å
666	I	84.3	Confident	80.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-47.9	178.9	-64.8	168.1	0	0	0	110	L588 F606 W663 I664 V668 K670 V687 L692	L588-I666 HydrophobicContact CD1-CG2 4.01Å; F606-I666 HydrophobicContact CD1-CG2 4.06Å; W663-I666 HydrophobicContact CD2-CD1 4.22Å; W663-I666 HydrophobicContact CE3-CB 4.21Å; W663-I666 HydrophobicContact CE3-CD1 3.64Å; W663-I666 HydrophobicContact CE3-CG2 4.13Å; W663-I666 HydrophobicContact CH2-CD1 4.35Å; W663-I666 HydrophobicContact CZ3-CD1 3.73Å; W663-I666 HydrophobicContact CZ3-CG2 4.13Å; W663-I666 WeakPolarHBondContact O-CB 3.46Å; W663-I666 PolarHBondContact O-N 3.33Å; W663-I666 VanDerWaalsContact O-N 3.08Å; I664-I666 VanDerWaalsContact C-N 3.3Å; I664-I666 PolarHBondContact O-N 3.45Å; I666-V668 PolarHBondContact O-N 3.08Å; I666-K670 WeakPolarHBondContact O-CB 3.42Å; I666-K670 PolarHBondContact O-N 2.83Å; I666-V687 HydrophobicContact CD1-CG1 4.49Å; I666-V687 HydrophobicContact CG1-CG1 3.6Å; I666-L692 HydrophobicContact CD1-CB 4.41Å; I666-L692 HydrophobicContact CD1-CD1 4.2Å
667	F	85.5	Confident	81	Confident	25 Å²	25	52.1 Å²	52.1	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.5	-59.3	-42.6	0	0	0	112.2	F606 N610 L611 F614 W663 I664 K670 F671	F606-F667 WeakPolarHBondContact O-CD1 3.15Å; F606-F667 VanDerWaalsContact O-CE1 3.29Å; F606-F667 WeakPolarHBondContact O-CE1 3.44Å; N610-F667 HydrophobicContact CB-CE1 4.14Å; L611-F667 HydrophobicContact CB-CE1 4.23Å; L611-F667 HydrophobicContact CB-CZ 4.43Å; L611-F667 HydrophobicContact CD1-CE2 4.28Å; L611-F667 HydrophobicContact CD1-CZ 4.3Å; F614-F667 HydrophobicContact CB-CE2 4.29Å; F614-F667 HydrophobicContact CB-CZ 4.18Å; F614-F667 HydrophobicContact CD1-CE2 4.19Å; F614-F667 HydrophobicContact CG-CE2 4.19Å; W663-F667 HydrophobicContact CB-CD2 4.3Å; W663-F667 HydrophobicContact CB-CE2 3.7Å; W663-F667 HydrophobicContact CB-CZ 4.02Å; W663-F667 HydrophobicContact CE3-CE1 4.45Å; W663-F667 HydrophobicContact CE3-CZ 4.42Å; W663-F667 VanDerWaalsContact O-CD2 3.29Å; W663-F667 WeakPolarHBondContact O-CD2 3.4Å; W663-F667 WeakPolarHBondContact O-CG 3.48Å; W663-F667 PolarHBondContact O-N 2.99Å; I664-F667 PolarHBondContact O-N 2.99Å; F667-K670 PolarHBondContact O-N 3.47Å; F667-F671 VanDerWaalsContact O-CB 3.29Å; F667-F671 WeakPolarHBondContact O-CB 3.36Å; F667-F671 PolarHBondContact O-N 3.3Å
668	V	85.6	Confident	80.4	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-48.9	178.2	169.9	0	0	0	0	111.4	I664 P665 I666 K670 F671 L672	I664-V668 HydrophobicContact CG2-CG2 4.38Å; I664-V668 WeakPolarHBondContact O-CG2 3.32Å; I664-V668 PolarHBondContact O-N 2.98Å; P665-V668 PolarHBondContact O-N 3.07Å; I666-V668 PolarHBondContact O-N 3.08Å; V668-K670 VanDerWaalsContact C-N 3.3Å; V668-K670 PolarHBondContact O-N 3.29Å; V668-F671 PolarHBondContact O-N 3.09Å; V668-L672 HydrophobicContact CG1-CD1 3.9Å; V668-L672 HydrophobicContact CG1-CG 4.42Å; V668-L672 WeakPolarHBondContact O-CB 3.27Å; V668-L672 WeakPolarHBondContact O-CG 3.13Å; V668-L672 PolarHBondContact O-N 3.05Å
669	V	83.3	Confident	79.9	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-40.8	177	167.4	0	0	0	0	111	L588 P665 S673 I679 I683 T684 V687	L588-V669 HydrophobicContact CD2-CG1 4.22Å; L588-V669 HydrophobicContact CG-CG1 4.32Å; P665-V669 WeakPolarHBondContact O-CB 3.25Å; P665-V669 WeakPolarHBondContact O-CG2 3.49Å; P665-V669 PolarHBondContact O-N 3.17Å; V669-S673 WeakPolarHBondContact O-CB 3.21Å; V669-S673 PolarHBondContact O-N 2.87Å; V669-I679 HydrophobicContact CG1-CD1 3.99Å; V669-I679 WeakPolarHBondContact O-CD1 3.43Å; V669-I683 HydrophobicContact CG2-CG2 4.16Å; V669-T684 HydrophobicContact CG1-CG2 4.19Å; V669-V687 HydrophobicContact CG2-CG2 4.33Å
670	K	82.9	Confident	79.8	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-35.9	179.2	-161.3	54.6	161.5	-174.3	0	112.9	L588 S602 F606 I666 F667 V668 S673 L674	L588-K670 PolarHBondContact O-NZ 3.14Å; S602-K670 VanDerWaalsContact OG-CE 3.3Å; S602-K670 WeakPolarHBondContact OG-CE 3.32Å; S602-K670 PolarHBondContact OG-NZ 2.81Å; F606-K670 HydrophobicContact CB-CG 4.35Å; I666-K670 WeakPolarHBondContact O-CB 3.42Å; I666-K670 PolarHBondContact O-N 2.83Å; F667-K670 PolarHBondContact O-N 3.47Å; V668-K670 VanDerWaalsContact C-N 3.3Å; V668-K670 PolarHBondContact O-N 3.29Å; K670-S673 PolarHBondContact O-N 2.96Å; K670-L674 WeakPolarHBondContact O-CG 3.43Å; K670-L674 PolarHBondContact O-N 3.47Å; K670-L674 VanDerWaalsContact O-N 3.16Å
671	F	84.3	Confident	79.4	Confident	116 Å²	116	58.4 Å²	58.4	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-43.1	174.4	-176.5	-100.9	0	0	0	112.2	F667 V668 S673 L674 L675	F667-F671 VanDerWaalsContact O-CB 3.29Å; F667-F671 WeakPolarHBondContact O-CB 3.36Å; F667-F671 PolarHBondContact O-N 3.3Å; V668-F671 PolarHBondContact O-N 3.09Å; F671-S673 VanDerWaalsContact C-N 3.32Å; F671-S673 PolarHBondContact O-N 3.45Å; F671-L674 WeakPolarHBondContact O-CB 3.26Å; F671-L674 PolarHBondContact O-N 3.21Å; F671-L674 VanDerWaalsContact O-N 3.14Å; F671-L675 HydrophobicContact CD1-CD1 4.1Å; F671-L675 HydrophobicContact CE1-CD1 3.63Å; F671-L675 HydrophobicContact CE1-CG 4.34Å; F671-L675 HydrophobicContact CZ-CD1 4.22Å; F671-L675 PolarHBondContact O-N 3.02Å
672	L	82.9	Confident	79.1	Confident	61 Å²	61	57.6 Å²	57.6	32%	0.319	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-37.8	174.4	-70.8	172.7	0	0	0	112.2	V668 L674 L675 Q676 V677 I679	V668-L672 HydrophobicContact CG1-CD1 3.9Å; V668-L672 HydrophobicContact CG1-CG 4.42Å; V668-L672 WeakPolarHBondContact O-CB 3.27Å; V668-L672 WeakPolarHBondContact O-CG 3.13Å; V668-L672 PolarHBondContact O-N 3.05Å; L672-L674 VanDerWaalsContact C-N 3.29Å; L672-L674 PolarHBondContact O-N 3.04Å; L672-L675 PolarHBondContact O-N 3.36Å; L672-L675 VanDerWaalsContact O-N 3.09Å; L672-Q676 PolarHBondContact O-N 3.27Å; L672-V677 PolarHBondContact O-N 2.9Å; L672-I679 HydrophobicContact CB-CD1 3.78Å; L672-I679 HydrophobicContact CB-CG1 4.35Å
673	S	77.8	Confident	79.1	Confident	12 Å²	12	60.8 Å²	60.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-33.3	173.3	173.1	0	0	0	0	112.5	V669 K670 F671 L675 Q676	V669-S673 WeakPolarHBondContact O-CB 3.21Å; V669-S673 PolarHBondContact O-N 2.87Å; K670-S673 PolarHBondContact O-N 2.96Å; F671-S673 VanDerWaalsContact C-N 3.32Å; F671-S673 PolarHBondContact O-N 3.45Å; S673-L675 VanDerWaalsContact C-N 3.32Å; S673-Q676 PolarHBondContact O-N 3.07Å
674	L	78.4	Confident	78.8	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-72.9	-21.7	173.2	-73.3	169.5	0	0	0	113.8	V603 L607 K670 F671 L672 Q676	V603-L674 HydrophobicContact CG2-CD1 4.39Å; V603-L674 HydrophobicContact CG2-CD2 3.83Å; V603-L674 HydrophobicContact CG2-CG 4.45Å; L607-L674 HydrophobicContact CD2-CD1 3.81Å; K670-L674 WeakPolarHBondContact O-CG 3.43Å; K670-L674 PolarHBondContact O-N 3.47Å; K670-L674 VanDerWaalsContact O-N 3.16Å; F671-L674 WeakPolarHBondContact O-CB 3.26Å; F671-L674 PolarHBondContact O-N 3.21Å; F671-L674 VanDerWaalsContact O-N 3.14Å; L672-L674 VanDerWaalsContact C-N 3.29Å; L672-L674 PolarHBondContact O-N 3.04Å; L674-Q676 VanDerWaalsContact C-N 3.28Å
675	L	80.9	Confident	78.6	Confident	102 Å²	102	56.5 Å²	56.5	53%	0.534	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.7	174.3	-65.4	177.9	0	0	0	113.2	F671 L672 S673 V677	F671-L675 HydrophobicContact CD1-CD1 4.1Å; F671-L675 HydrophobicContact CE1-CD1 3.63Å; F671-L675 HydrophobicContact CE1-CG 4.34Å; F671-L675 HydrophobicContact CZ-CD1 4.22Å; F671-L675 PolarHBondContact O-N 3.02Å; L672-L675 PolarHBondContact O-N 3.36Å; L672-L675 VanDerWaalsContact O-N 3.09Å; S673-L675 VanDerWaalsContact C-N 3.32Å; L675-V677 HydrophobicContact CB-CG2 3.99Å; L675-V677 PolarHBondContact O-N 3.04Å
676	Q	70.6	Confident	78.7	Confident	147 Å²	147	59.4 Å²	59.4	69%	0.687	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.5	-175.5	-57.6	-170.2	-65.5	0	0	113.6	D592 L672 S673 L674	D592-Q676 PolarHBondContact OD1-NE2 3.2Å; L672-Q676 PolarHBondContact O-N 3.27Å; S673-Q676 PolarHBondContact O-N 3.07Å; L674-Q676 VanDerWaalsContact C-N 3.28Å
677	V	75.1	Confident	78.8	Confident	72 Å²	72	59.5 Å²	59.5	44%	0.436	31%	0.309	S	S	.	.			trans	-82.3	129.5	172.2	179.5	0	0	0	0	108.4	L672 L675 I679	L672-V677 PolarHBondContact O-N 2.9Å; L675-V677 HydrophobicContact CB-CG2 3.99Å; L675-V677 PolarHBondContact O-N 3.04Å; V677-I679 WeakPolarHBondContact O-CG1 3.49Å; V677-I679 PolarHBondContact O-N 3.21Å; V677-I679 VanDerWaalsContact O-N 3.15Å
678	E	66.1	Low	78.9	Confident	177 Å²	177	58.6 Å²	58.6	83%	0.827	31%	0.306	S	S	*	.			trans	-62.4	114.6	173.8	-67.2	-177.7	172.4	0	0	110.3
679	I	69.3	Low	78.9	Confident	22 Å²	22	55.1 Å²	55.1	11%	0.113	28%	0.284	C	S	.	.			trans	-100.9	122.9	179.1	-53.7	-178.6	0	0	0	108.5	V669 L672 V677 G681 I683 T684	V669-I679 HydrophobicContact CG1-CD1 3.99Å; V669-I679 WeakPolarHBondContact O-CD1 3.43Å; L672-I679 HydrophobicContact CB-CD1 3.78Å; L672-I679 HydrophobicContact CB-CG1 4.35Å; V677-I679 WeakPolarHBondContact O-CG1 3.49Å; V677-I679 PolarHBondContact O-N 3.21Å; V677-I679 VanDerWaalsContact O-N 3.15Å; I679-G681 PolarHBondContact O-N 3.04Å; I679-I683 HydrophobicContact CG2-CB 4.33Å; I679-T684 HydrophobicContact CG2-CG2 4.23Å
680	P	72.9	Confident	79.1	Confident	73 Å²	73	57.9 Å²	57.9	47%	0.474	30%	0.296	S	S	.	.			trans	-55.7	124	172.7	-25.9	34.1	0	0	0	111.4	T682 I683	P680-T682 PolarHBondContact O-N 2.97Å; P680-I683 HydrophobicContact CB-CD1 4.48Å; P680-I683 HydrophobicContact CB-CG1 4.44Å; P680-I683 HydrophobicContact CG-CD1 4.37Å; P680-I683 WeakPolarHBondContact O-CB 3.3Å; P680-I683 PolarHBondContact O-N 3.36Å
681	G	69.3	Low	79.3	Confident	16 Å²	16	59.6 Å²	59.6	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-14	-179	0	0	0	0	0	114.5	D416 G417 I679 I683 T684 S685	D416-G681 WeakPolarHBondContact O-CA 3.37Å; G417-G681 CarbonylContact C-O 3.39Å; G417-G681 CarbonylContact O-C 3.54Å; I679-G681 PolarHBondContact O-N 3.04Å; G681-I683 VanDerWaalsContact C-N 3.31Å; G681-I683 PolarHBondContact O-N 3.48Å; G681-T684 WeakPolarHBondContact CA-OG1 3.46Å; G681-T684 PolarHBondContact O-N 3.12Å; G681-T684 PolarHBondContact O-OG1 3.24Å; G681-S685 WeakPolarHBondContact O-CB 3.41Å; G681-S685 PolarHBondContact O-N 3.21Å
682	T	77.4	Confident	79.4	Confident	73 Å²	73	54.5 Å²	54.5	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-39.1	168.4	55	0	0	0	0	111.8	G417 P680 S685 W686	G417-T682 VanDerWaalsContact O-CA 3.28Å; G417-T682 WeakPolarHBondContact O-CA 3.31Å; G417-T682 PolarHBondContact O-N 2.99Å; P680-T682 PolarHBondContact O-N 2.97Å; T682-S685 VanDerWaalsContact O-CB 3.29Å; T682-S685 WeakPolarHBondContact O-CB 3.39Å; T682-S685 PolarHBondContact O-N 2.83Å; T682-W686 PolarHBondContact O-N 2.95Å; T682-W686 VanDerWaalsContact O-N 3.08Å
683	I	81.9	Confident	79.8	Confident	81 Å²	81	51.6 Å²	51.6	42%	0.415	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-44.9	179	-59	178.8	0	0	0	110	V669 I679 P680 G681 S685 W686 V687	V669-I683 HydrophobicContact CG2-CG2 4.16Å; I679-I683 HydrophobicContact CG2-CB 4.33Å; P680-I683 HydrophobicContact CB-CD1 4.48Å; P680-I683 HydrophobicContact CB-CG1 4.44Å; P680-I683 HydrophobicContact CG-CD1 4.37Å; P680-I683 WeakPolarHBondContact O-CB 3.3Å; P680-I683 PolarHBondContact O-N 3.36Å; G681-I683 VanDerWaalsContact C-N 3.31Å; G681-I683 PolarHBondContact O-N 3.48Å; I683-S685 VanDerWaalsContact C-N 3.32Å; I683-S685 PolarHBondContact O-N 2.88Å; I683-W686 PolarHBondContact O-N 3.44Å; I683-V687 WeakPolarHBondContact O-CG2 3.22Å; I683-V687 PolarHBondContact O-N 2.91Å
684	T	78.3	Confident	80.3	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-38.1	178.4	62.4	0	0	0	0	111	H589 V669 I679 G681 V687 V688	H589-T684 HydrophobicContact CB-CG2 4.1Å; V669-T684 HydrophobicContact CG1-CG2 4.19Å; I679-T684 HydrophobicContact CG2-CG2 4.23Å; G681-T684 WeakPolarHBondContact CA-OG1 3.46Å; G681-T684 PolarHBondContact O-N 3.12Å; G681-T684 PolarHBondContact O-OG1 3.24Å; T684-V687 PolarHBondContact O-N 3.43Å; T684-V688 WeakPolarHBondContact O-CG2 3.37Å; T684-V688 PolarHBondContact O-N 3.34Å; T684-V688 VanDerWaalsContact O-N 3.07Å
685	S	79.9	Confident	80.6	Confident	1 Å²	1	50 Å²	50	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-53.3	-52.9	170.1	-162.5	0	0	0	0	112.4	Q430 G681 T682 I683 V687 V688 I689	Q430-S685 PolarHBondContact NE2-OG 2.94Å; Q430-S685 PolarHBondContact OE1-OG 2.9Å; G681-S685 WeakPolarHBondContact O-CB 3.41Å; G681-S685 PolarHBondContact O-N 3.21Å; T682-S685 VanDerWaalsContact O-CB 3.29Å; T682-S685 WeakPolarHBondContact O-CB 3.39Å; T682-S685 PolarHBondContact O-N 2.83Å; I683-S685 VanDerWaalsContact C-N 3.32Å; I683-S685 PolarHBondContact O-N 2.88Å; S685-V687 PolarHBondContact O-N 2.87Å; S685-V688 PolarHBondContact O-N 2.99Å; S685-I689 WeakPolarHBondContact O-CB 3.41Å; S685-I689 WeakPolarHBondContact O-CG1 3.12Å; S685-I689 PolarHBondContact O-N 3.09Å
686	W	85.7	Confident	81	Confident	98 Å²	98	45.5 Å²	45.5	37%	0.371	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-37.1	178.9	-79.3	109.1	0	0	0	113	I429 T682 I683 F690 I691	I429-W686 HydrophobicContact CG2-CH2 3.81Å; I429-W686 HydrophobicContact CG2-CZ2 4.49Å; T682-W686 PolarHBondContact O-N 2.95Å; T682-W686 VanDerWaalsContact O-N 3.08Å; I683-W686 PolarHBondContact O-N 3.44Å; W686-F690 HydrophobicContact CE3-CB 3.87Å; W686-F690 HydrophobicContact CE3-CD1 4.47Å; W686-F690 HydrophobicContact CE3-CG 4.13Å; W686-F690 HydrophobicContact CZ3-CB 4.35Å; W686-F690 HydrophobicContact CZ3-CD2 4.37Å; W686-F690 HydrophobicContact CZ3-CG 4.28Å; W686-F690 WeakPolarHBondContact O-CA 3.47Å; W686-F690 VanDerWaalsContact O-CB 3.28Å; W686-F690 WeakPolarHBondContact O-CB 3.03Å; W686-F690 PolarHBondContact O-N 3.44Å; W686-I691 PolarHBondContact O-N 3.13Å
687	V	87.1	Confident	81.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.024	21%	0.208	C	C	.	.	I	π-helix	trans	-63	-48.5	176.5	175.1	0	0	0	0	111.1	L588 P665 I666 V669 I683 T684 S685 I691 L692	L588-V687 HydrophobicContact CD2-CB 3.85Å; L588-V687 HydrophobicContact CD2-CG1 3.61Å; P665-V687 HydrophobicContact CB-CG2 4.34Å; I666-V687 HydrophobicContact CD1-CG1 4.49Å; I666-V687 HydrophobicContact CG1-CG1 3.6Å; V669-V687 HydrophobicContact CG2-CG2 4.33Å; I683-V687 WeakPolarHBondContact O-CG2 3.22Å; I683-V687 PolarHBondContact O-N 2.91Å; T684-V687 PolarHBondContact O-N 3.43Å; S685-V687 PolarHBondContact O-N 2.87Å; V687-I691 HydrophobicContact CG2-CD1 4.12Å; V687-I691 PolarHBondContact O-N 3.04Å; V687-L692 WeakPolarHBondContact O-CB 3.48Å; V687-L692 PolarHBondContact O-N 3.14Å
688	V	86.2	Confident	82.5	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.042	20%	0.202	C	C	.	.	I	π-helix	trans	-73.2	-40.8	-175.4	176.4	0	0	0	0	112.7	Y479 V584 F586 L588 T684 S685 P693	Y479-V688 WeakPolarHBondContact OH-CG1 3.14Å; V584-V688 HydrophobicContact CG1-CG1 3.67Å; F586-V688 HydrophobicContact CB-CG1 3.77Å; F586-V688 HydrophobicContact CB-CG2 4.28Å; F586-V688 HydrophobicContact CD1-CG1 4.22Å; F586-V688 HydrophobicContact CD1-CG2 3.63Å; F586-V688 HydrophobicContact CD2-CG1 4.38Å; F586-V688 HydrophobicContact CE1-CG2 4.28Å; F586-V688 HydrophobicContact CG-CG1 3.86Å; F586-V688 HydrophobicContact CG-CG2 4.11Å; L588-V688 HydrophobicContact CB-CG2 4.22Å; L588-V688 HydrophobicContact CD2-CG2 3.95Å; T684-V688 WeakPolarHBondContact O-CG2 3.37Å; T684-V688 PolarHBondContact O-N 3.34Å; T684-V688 VanDerWaalsContact O-N 3.07Å; S685-V688 PolarHBondContact O-N 2.99Å; V688-P693 VanDerWaalsContact O-CD 3.32Å; V688-P693 WeakPolarHBondContact O-CD 3.21Å; V688-P693 WeakPolarHBondContact O-CG 3.2Å
689	I	87.3	Confident	83.3	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.015	17%	0.165	C	C	.	.	I	π-helix	trans	-84.7	-34.3	-173.8	-65.5	172.2	0	0	0	112.3	L425 Q430 V434 V584 S685	L425-I689 HydrophobicContact CD2-CD1 3.46Å; L425-I689 VanDerWaalsContact CD2-CD1 3.46Å; Q430-I689 HydrophobicContact CB-CD1 4.35Å; Q430-I689 HydrophobicContact CB-CG2 4.49Å; Q430-I689 HydrophobicContact CG-CD1 4.49Å; V434-I689 HydrophobicContact CG2-CG2 3.56Å; V584-I689 HydrophobicContact CG2-CD1 4.48Å; S685-I689 WeakPolarHBondContact O-CB 3.41Å; S685-I689 WeakPolarHBondContact O-CG1 3.12Å; S685-I689 PolarHBondContact O-N 3.09Å
690	F	86.1	Confident	84	Confident	66 Å²	66	29.7 Å²	29.7	29%	0.289	16%	0.16	S	C	.	.	I	π-helix	trans	-112.4	-59.5	-171.1	-176.3	-99.9	0	0	0	112.3	F433 W686 I694	F433-F690 HydrophobicContact CD1-CD2 4.09Å; F433-F690 AromaticContact CD1-CE2 3.99Å; F433-F690 HydrophobicContact CD1-CE2 3.99Å; F433-F690 HydrophobicContact CE1-CD2 4.33Å; F433-F690 AromaticContact CE1-CE2 3.78Å; F433-F690 HydrophobicContact CE1-CE2 3.78Å; F433-F690 HydrophobicContact CG-CD2 4.27Å; F433-F690 HydrophobicContact CZ-CE2 4.11Å; W686-F690 HydrophobicContact CE3-CB 3.87Å; W686-F690 HydrophobicContact CE3-CD1 4.47Å; W686-F690 HydrophobicContact CE3-CG 4.13Å; W686-F690 HydrophobicContact CZ3-CB 4.35Å; W686-F690 HydrophobicContact CZ3-CD2 4.37Å; W686-F690 HydrophobicContact CZ3-CG 4.28Å; W686-F690 WeakPolarHBondContact O-CA 3.47Å; W686-F690 VanDerWaalsContact O-CB 3.28Å; W686-F690 WeakPolarHBondContact O-CB 3.03Å; W686-F690 PolarHBondContact O-N 3.44Å; F690-I694 HydrophobicContact CD1-CD1 3.59Å; F690-I694 HydrophobicContact CD2-CD1 3.9Å; F690-I694 HydrophobicContact CE1-CD1 3.41Å; F690-I694 VanDerWaalsContact CE1-CD1 3.41Å; F690-I694 HydrophobicContact CE2-CD1 3.73Å; F690-I694 HydrophobicContact CG-CD1 3.83Å; F690-I694 HydrophobicContact CZ-CD1 3.48Å; F690-I694 VanDerWaalsContact CZ-CD1 3.48Å; F690-I694 WeakPolarHBondContact O-CD1 3.41Å; F690-I694 WeakPolarHBondContact O-CG1 3.23Å; F690-I694 PolarHBondContact O-N 2.97Å
691	I	87.8	Confident	84.4	Confident	37 Å²	37	29.9 Å²	29.9	19%	0.19	16%	0.157	C	C	.	.	I	π-helix	trans	-66.9	-49.3	-169.1	-58.7	-178.9	0	0	0	111.7	C662 P665 W686 V687 I694	C662-I691 HydrophobicContact CB-CG2 3.91Å; C662-I691 WeakPolarHBondContact O-CG2 3.14Å; P665-I691 HydrophobicContact CB-CD1 3.93Å; P665-I691 HydrophobicContact CG-CD1 3.97Å; P665-I691 HydrophobicContact CG-CG2 4.35Å; W686-I691 PolarHBondContact O-N 3.13Å; V687-I691 HydrophobicContact CG2-CD1 4.12Å; V687-I691 PolarHBondContact O-N 3.04Å; I691-I694 PolarHBondContact O-N 3.01Å
692	L	86.4	Confident	84.7	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-43.1	-174.8	177.7	158.7	0	0	0	113	M476 T518 F586 I666 V687 I694	M476-L692 HydrophobicContact CE-CD2 3.46Å; M476-L692 VanDerWaalsContact CE-CD2 3.46Å; M476-L692 HydrophobicContact SD-CD2 3.71Å; T518-L692 HydrophobicContact CG2-CD1 3.99Å; T518-L692 HydrophobicContact CG2-CD2 3.62Å; T518-L692 HydrophobicContact CG2-CG 3.94Å; F586-L692 HydrophobicContact CE1-CD1 4.07Å; F586-L692 HydrophobicContact CE2-CD1 4.14Å; F586-L692 HydrophobicContact CZ-CD1 3.54Å; I666-L692 HydrophobicContact CD1-CB 4.41Å; I666-L692 HydrophobicContact CD1-CD1 4.2Å; V687-L692 WeakPolarHBondContact O-CB 3.48Å; V687-L692 PolarHBondContact O-N 3.14Å; L692-I694 PolarHBondContact O-N 3.5Å
693	P	90.3	Very high	84.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-76.6	-15.6	177.6	-20.5	35.7	0	0	0	115.6	V437 M476 L480 V688 N695 S696 A697	V437-P693 HydrophobicContact CG1-CB 3.84Å; M476-P693 HydrophobicContact CG-CB 3.9Å; M476-P693 HydrophobicContact CG-CG 4.22Å; M476-P693 HydrophobicContact SD-CB 4.38Å; M476-P693 HydrophobicContact SD-CG 4.03Å; L480-P693 HydrophobicContact CD1-CB 3.65Å; L480-P693 HydrophobicContact CD1-CG 3.86Å; L480-P693 HydrophobicContact CD2-CG 4.17Å; L480-P693 HydrophobicContact CG-CB 4.48Å; L480-P693 HydrophobicContact CG-CG 4.28Å; V688-P693 VanDerWaalsContact O-CD 3.32Å; V688-P693 WeakPolarHBondContact O-CD 3.21Å; V688-P693 WeakPolarHBondContact O-CG 3.2Å; P693-N695 VanDerWaalsContact C-N 3.3Å; P693-N695 PolarHBondContact O-N 2.92Å; P693-S696 PolarHBondContact O-N 3.44Å; P693-A697 PolarHBondContact O-N 2.8Å; P693-A697 VanDerWaalsContact O-N 3.14Å
694	I	88.9	Confident	84.3	Confident	38 Å²	38	23.6 Å²	23.6	20%	0.195	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-37	178.6	-85.5	166.2	0	0	0	112	F690 I691 L692 S696 A697 L698	F690-I694 HydrophobicContact CD1-CD1 3.59Å; F690-I694 HydrophobicContact CD2-CD1 3.9Å; F690-I694 HydrophobicContact CE1-CD1 3.41Å; F690-I694 VanDerWaalsContact CE1-CD1 3.41Å; F690-I694 HydrophobicContact CE2-CD1 3.73Å; F690-I694 HydrophobicContact CG-CD1 3.83Å; F690-I694 HydrophobicContact CZ-CD1 3.48Å; F690-I694 VanDerWaalsContact CZ-CD1 3.48Å; F690-I694 WeakPolarHBondContact O-CD1 3.41Å; F690-I694 WeakPolarHBondContact O-CG1 3.23Å; F690-I694 PolarHBondContact O-N 2.97Å; I691-I694 PolarHBondContact O-N 3.01Å; L692-I694 PolarHBondContact O-N 3.5Å; I694-S696 PolarHBondContact O-N 3.12Å; I694-A697 WeakPolarHBondContact O-CB 3.5Å; I694-A697 PolarHBondContact O-N 3.15Å; I694-A697 VanDerWaalsContact O-N 3.15Å; I694-L698 HydrophobicContact CG2-CD1 3.66Å; I694-L698 HydrophobicContact CG2-CG 4.14Å; I694-L698 WeakPolarHBondContact O-CG 3.46Å; I694-L698 PolarHBondContact O-N 3.27Å
695	N	84.9	Confident	84.1	Confident	16 Å²	16	26.1 Å²	26.1	9%	0.086	13%	0.129	C	C	.	.	H	α-helix	trans	-55.2	-51.4	174.7	-86.7	-13.7	0	0	0	111.3	D659 C662 P693 A697 L698 N699	D659-N695 PolarHBondContact OD1-ND2 3.19Å; C662-N695 WeakPolarHBondContact CB-ND2 3.49Å; C662-N695 PolarHBondContact SG-OD1 3.25Å; P693-N695 VanDerWaalsContact C-N 3.3Å; P693-N695 PolarHBondContact O-N 2.92Å; N695-A697 VanDerWaalsContact C-N 3.26Å; N695-A697 PolarHBondContact O-N 2.83Å; N695-L698 PolarHBondContact O-N 3.28Å; N695-L698 VanDerWaalsContact O-N 3.14Å; N695-N699 VanDerWaalsContact O-CG 3.24Å; N695-N699 PolarHBondContact O-N 2.88Å
696	S	89.6	Confident	83.7	Confident	8 Å²	8	29 Å²	29	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-29.1	177.8	-59.7	0	0	0	0	113.5	N445 D473 P693 I694 P700	N445-S696 PolarHBondContact ND2-O 3.21Å; D473-S696 WeakPolarHBondContact OD1-CA 3.25Å; D473-S696 VanDerWaalsContact OD1-CB 3.26Å; D473-S696 WeakPolarHBondContact OD1-CB 3.16Å; D473-S696 PolarHBondContact OD1-OG 2.83Å; P693-S696 PolarHBondContact O-N 3.44Å; I694-S696 PolarHBondContact O-N 3.12Å; S696-P700 WeakPolarHBondContact O-CD 3.35Å
697	A	89.4	Confident	83	Confident	13 Å²	13	24.6 Å²	24.6	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-74.7	-35.6	174	0	0	0	0	0	113	V440 T441 P693 I694 N695	V440-A697 HydrophobicContact CG1-CB 4.13Å; T441-A697 WeakPolarHBondContact OG1-CA 3.42Å; T441-A697 WeakPolarHBondContact OG1-CB 3.42Å; T441-A697 PolarHBondContact OG1-N 3.44Å; P693-A697 PolarHBondContact O-N 2.8Å; P693-A697 VanDerWaalsContact O-N 3.14Å; I694-A697 WeakPolarHBondContact O-CB 3.5Å; I694-A697 PolarHBondContact O-N 3.15Å; I694-A697 VanDerWaalsContact O-N 3.15Å; N695-A697 VanDerWaalsContact C-N 3.26Å; N695-A697 PolarHBondContact O-N 2.83Å
698	L	86.8	Confident	82	Confident	60 Å²	60	31.2 Å²	31.2	31%	0.314	16%	0.156	S	C	.	.	H	α-helix	trans	-83.9	-28.1	-177.6	-67.8	177.5	0	0	0	113.3	I694 N695 I701 L702	I694-L698 HydrophobicContact CG2-CD1 3.66Å; I694-L698 HydrophobicContact CG2-CG 4.14Å; I694-L698 WeakPolarHBondContact O-CG 3.46Å; I694-L698 PolarHBondContact O-N 3.27Å; N695-L698 PolarHBondContact O-N 3.28Å; N695-L698 VanDerWaalsContact O-N 3.14Å; L698-I701 HydrophobicContact CD2-CD1 4.17Å; L698-I701 WeakPolarHBondContact O-CB 3.41Å; L698-I701 PolarHBondContact O-N 3.35Å; L698-L702 HydrophobicContact CB-CD1 3.93Å; L698-L702 HydrophobicContact CB-CG 4.39Å; L698-L702 WeakPolarHBondContact O-CB 3.25Å; L698-L702 WeakPolarHBondContact O-CG 3.46Å; L698-L702 PolarHBondContact O-N 3.24Å
699	N	84.1	Confident	81	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-48.3	-46.3	-179.5	-81.6	-17.9	0	0	0	114.2	D473 N695 I701 L702 Y703	D473-N699 WeakPolarHBondContact OD2-CB 3.35Å; D473-N699 PolarHBondContact OD2-ND2 2.88Å; N695-N699 VanDerWaalsContact O-CG 3.24Å; N695-N699 PolarHBondContact O-N 2.88Å; N699-I701 VanDerWaalsContact C-N 3.34Å; N699-I701 PolarHBondContact O-N 2.04Å; N699-L702 PolarHBondContact O-N 2.83Å; N699-Y703 HydrophobicContact CB-CD2 4.31Å; N699-Y703 WeakPolarHBondContact O-CB 3.25Å; N699-Y703 WeakPolarHBondContact O-CD2 3.31Å; N699-Y703 PolarHBondContact O-N 3.38Å
700	P	84.4	Confident	80.1	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-53.7	-43.6	173.2	-31.7	37.4	0	0	0	115.1	N445 V448 S696 T704 L705	N445-P700 HydrophobicContact CB-CG 4.49Å; N445-P700 WeakPolarHBondContact OD1-CG 3.44Å; V448-P700 HydrophobicContact CG2-CB 3.78Å; S696-P700 WeakPolarHBondContact O-CD 3.35Å; P700-T704 WeakPolarHBondContact O-CB 3.14Å; P700-T704 PolarHBondContact O-N 2.64Å; P700-L705 PolarHBondContact O-N 3.42Å; P700-L705 VanDerWaalsContact O-N 3.11Å
701	I	80	Confident	79.4	Confident	77 Å²	77	35.3 Å²	35.3	40%	0.395	18%	0.175	S	C	.	.	I	π-helix	trans	-69.3	-49	-179.1	-58.5	163.3	0	0	0	109.7	L698 N699 L705 T706	L698-I701 HydrophobicContact CD2-CD1 4.17Å; L698-I701 WeakPolarHBondContact O-CB 3.41Å; L698-I701 PolarHBondContact O-N 3.35Å; N699-I701 VanDerWaalsContact C-N 3.34Å; N699-I701 PolarHBondContact O-N 2.04Å; I701-L705 HydrophobicContact CG1-CD1 3.98Å; I701-T706 HydrophobicContact CG2-CG2 4.16Å; I701-T706 WeakPolarHBondContact O-CB 3.4Å; I701-T706 WeakPolarHBondContact O-CG2 3.39Å; I701-T706 PolarHBondContact O-N 3.1Å; I701-T706 PolarHBondContact O-OG1 2.95Å
702	L	76.4	Confident	78.6	Confident	29 Å²	29	39.1 Å²	39.1	15%	0.152	19%	0.192	C	C	.	.	I	π-helix	trans	-64.1	-46.3	-175.8	-75.6	176.4	0	0	0	112.4	R651 I655 T658 L698 N699 T706	R651-L702 PolarHBondContact NE-O 2.96Å; R651-L702 PolarHBondContact NH2-O 3.4Å; I655-L702 HydrophobicContact CD1-CB 4.39Å; I655-L702 HydrophobicContact CG1-CB 4.02Å; I655-L702 HydrophobicContact CG1-CD2 4.1Å; I655-L702 HydrophobicContact CG1-CG 4.43Å; T658-L702 WeakPolarHBondContact OG1-CD1 3.36Å; L698-L702 HydrophobicContact CB-CD1 3.93Å; L698-L702 HydrophobicContact CB-CG 4.39Å; L698-L702 WeakPolarHBondContact O-CB 3.25Å; L698-L702 WeakPolarHBondContact O-CG 3.46Å; L698-L702 PolarHBondContact O-N 3.24Å; N699-L702 PolarHBondContact O-N 2.83Å; L702-T706 PolarHBondContact O-OG1 3.47Å; L702-T706 VanDerWaalsContact O-OG1 3.09Å
703	Y	75.2	Confident	77.9	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.035	20%	0.203	C	C	.	.	I	π-helix	trans	-89	-36.2	-176.1	-75.1	-78.6	0	0	0	114.4	I466 L469 L525 R651 I655 N699 T707	I466-Y703 HydrophobicContact CD1-CD1 3.85Å; I466-Y703 HydrophobicContact CD1-CG 4.4Å; I466-Y703 HydrophobicContact CG1-CD1 4.29Å; I466-Y703 HydrophobicContact CG2-CG 4.46Å; L469-Y703 HydrophobicContact CD2-CD2 4.25Å; L469-Y703 HydrophobicContact CD2-CE2 3.91Å; L525-Y703 HydrophobicContact CD2-CE2 4.12Å; L525-Y703 WeakPolarHBondContact CD2-OH 3.39Å; R651-Y703 PolarHBondContact NH2-O 2.82Å; I655-Y703 HydrophobicContact CD1-CD1 4.27Å; I655-Y703 HydrophobicContact CD1-CE1 4.06Å; I655-Y703 HydrophobicContact CG2-CE1 4.45Å; I655-Y703 HydrophobicContact CG2-CE2 3.87Å; I655-Y703 WeakPolarHBondContact CG2-OH 3.18Å; N699-Y703 HydrophobicContact CB-CD2 4.31Å; N699-Y703 WeakPolarHBondContact O-CB 3.25Å; N699-Y703 WeakPolarHBondContact O-CD2 3.31Å; N699-Y703 PolarHBondContact O-N 3.38Å; Y703-T707 VanDerWaalsContact O-CG2 3.25Å; Y703-T707 WeakPolarHBondContact O-CG2 3.29Å
704	T	76.3	Confident	77.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-115.4	-57.2	-169	-53.2	0	0	0	0	113.7	V448 R452 P700 T706 T707	V448-T704 HydrophobicContact CG1-CG2 4.28Å; V448-T704 VanDerWaalsContact CG1-OG1 3.23Å; V448-T704 WeakPolarHBondContact CG1-OG1 3.31Å; V448-T704 HydrophobicContact CG2-CG2 4.06Å; R452-T704 PolarHBondContact NH1-OG1 2.97Å; R452-T704 VanDerWaalsContact NH1-OG1 3.12Å; P700-T704 WeakPolarHBondContact O-CB 3.14Å; P700-T704 PolarHBondContact O-N 2.64Å; T704-T706 VanDerWaalsContact C-N 3.26Å; T704-T706 PolarHBondContact O-N 3.29Å; T704-T707 WeakPolarHBondContact O-CB 3.4Å; T704-T707 VanDerWaalsContact O-CG2 3.27Å; T704-T707 WeakPolarHBondContact O-CG2 3.28Å; T704-T707 PolarHBondContact O-N 3.18Å; T704-T707 PolarHBondContact O-OG1 3.23Å
705	L	72.9	Confident	76.4	Confident	60 Å²	60	50 Å²	50	31%	0.314	24%	0.244	S	C	.	.	I	π-helix	trans	-66	-27.5	-170.1	-55.6	177.9	0	0	0	113.6	F447 P700 I701 T707 F710	F447-L705 HydrophobicContact CD1-CD2 4.12Å; F447-L705 HydrophobicContact CE1-CD2 3.58Å; P700-L705 PolarHBondContact O-N 3.42Å; P700-L705 VanDerWaalsContact O-N 3.11Å; I701-L705 HydrophobicContact CG1-CD1 3.98Å; L705-T707 VanDerWaalsContact C-N 3.34Å; L705-F710 HydrophobicContact CB-CD1 4.5Å; L705-F710 HydrophobicContact CB-CE1 4.17Å; L705-F710 HydrophobicContact CD2-CD1 4.33Å; L705-F710 HydrophobicContact CD2-CE1 3.46Å; L705-F710 VanDerWaalsContact CD2-CE1 3.46Å; L705-F710 HydrophobicContact CD2-CE2 4.16Å; L705-F710 HydrophobicContact CD2-CZ 3.36Å; L705-F710 HydrophobicContact CG-CE1 4.43Å; L705-F710 WeakPolarHBondContact O-CD1 3.31Å
706	T	71.6	Confident	75.8	Confident	63 Å²	63	55.6 Å²	55.6	39%	0.387	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.7	177.2	49.6	0	0	0	0	114.3	R651 I701 L702 T704	R651-T706 PolarHBondContact NE-OG1 3.06Å; R651-T706 VanDerWaalsContact NE-OG1 3.12Å; R651-T706 PolarHBondContact NH2-OG1 3.09Å; I701-T706 HydrophobicContact CG2-CG2 4.16Å; I701-T706 WeakPolarHBondContact O-CB 3.4Å; I701-T706 WeakPolarHBondContact O-CG2 3.39Å; I701-T706 PolarHBondContact O-N 3.1Å; I701-T706 PolarHBondContact O-OG1 2.95Å; L702-T706 PolarHBondContact O-OG1 3.47Å; L702-T706 VanDerWaalsContact O-OG1 3.09Å; T704-T706 VanDerWaalsContact C-N 3.26Å; T704-T706 PolarHBondContact O-N 3.29Å
707	T	71.7	Confident	75.1	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.025	30%	0.3	C	S	.	.			trans	-70.6	146.4	178	65.4	0	0	0	0	112.5	Y703 T704 L705 F710 K711	Y703-T707 VanDerWaalsContact O-CG2 3.25Å; Y703-T707 WeakPolarHBondContact O-CG2 3.29Å; T704-T707 WeakPolarHBondContact O-CB 3.4Å; T704-T707 VanDerWaalsContact O-CG2 3.27Å; T704-T707 WeakPolarHBondContact O-CG2 3.28Å; T704-T707 PolarHBondContact O-N 3.18Å; T704-T707 PolarHBondContact O-OG1 3.23Å; L705-T707 VanDerWaalsContact C-N 3.34Å; T707-F710 WeakPolarHBondContact OG1-CB 3.45Å; T707-F710 PolarHBondContact OG1-N 2.94Å; T707-K711 PolarHBondContact O-N 3.34Å
708	R	66.1	Low	74.5	Confident	144 Å²	144	69.6 Å²	69.6	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-50.6	170.6	-68.3	-172	-176.5	-172.2	0.2	113.8	F710 K711 E712	R708-F710 PolarHBondContact O-N 3.44Å; R708-K711 PolarHBondContact O-N 3.23Å; R708-E712 WeakPolarHBondContact O-CG 3.17Å; R708-E712 PolarHBondContact O-N 3.16Å
709	P	64.3	Low	73.8	Confident	29 Å²	29	73.7 Å²	73.7	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-32.8	178.9	20.7	-34.8	0	0	0	113.5	I455 M713	I455-P709 HydrophobicContact CG2-CB 4.13Å; P709-M713 VanDerWaalsContact O-CB 3.3Å; P709-M713 WeakPolarHBondContact O-CB 3.34Å; P709-M713 PolarHBondContact O-N 3.02Å
710	F	69.6	Low	73.4	Confident	12 Å²	12	77.5 Å²	77.5	5%	0.053	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-41.9	173.8	-178.6	-102.2	0	0	0	112.6	F447 I455 L705 T707 R708 E712 M713 I714	F447-F710 AromaticContact CE1-CE2 3.87Å; F447-F710 HydrophobicContact CE1-CE2 3.87Å; F447-F710 AromaticContact CE1-CZ 3.79Å; F447-F710 HydrophobicContact CE1-CZ 3.79Å; F447-F710 AromaticContact CZ-CE2 3.97Å; F447-F710 HydrophobicContact CZ-CE2 3.97Å; F447-F710 AromaticContact CZ-CZ 3.87Å; F447-F710 HydrophobicContact CZ-CZ 3.87Å; I455-F710 HydrophobicContact CD1-CD2 4.34Å; L705-F710 HydrophobicContact CB-CD1 4.5Å; L705-F710 HydrophobicContact CB-CE1 4.17Å; L705-F710 HydrophobicContact CD2-CD1 4.33Å; L705-F710 HydrophobicContact CD2-CE1 3.46Å; L705-F710 VanDerWaalsContact CD2-CE1 3.46Å; L705-F710 HydrophobicContact CD2-CE2 4.16Å; L705-F710 HydrophobicContact CD2-CZ 3.36Å; L705-F710 HydrophobicContact CG-CE1 4.43Å; L705-F710 WeakPolarHBondContact O-CD1 3.31Å; T707-F710 WeakPolarHBondContact OG1-CB 3.45Å; T707-F710 PolarHBondContact OG1-N 2.94Å; R708-F710 PolarHBondContact O-N 3.44Å; F710-E712 VanDerWaalsContact C-N 3.35Å; F710-M713 HydrophobicContact CD2-CE 3.81Å; F710-M713 HydrophobicContact CE2-CE 3.94Å; F710-M713 PolarHBondContact O-N 3.41Å; F710-I714 HydrophobicContact CD1-CD1 3.94Å; F710-I714 HydrophobicContact CE1-CD1 3.3Å; F710-I714 HydrophobicContact CE1-CG1 4.23Å; F710-I714 HydrophobicContact CE2-CD1 4.3Å; F710-I714 HydrophobicContact CZ-CD1 3.51Å; F710-I714 HydrophobicContact CZ-CG1 4.24Å; F710-I714 PolarHBondContact O-N 3.27Å
711	K	71.1	Confident	72.9	Confident	121 Å²	121	83.5 Å²	83.5	53%	0.526	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-42.4	173.8	-69.5	-176	178.9	-168.9	0	111.8	T707 R708 I714 H715	T707-K711 PolarHBondContact O-N 3.34Å; R708-K711 PolarHBondContact O-N 3.23Å; K711-I714 PolarHBondContact O-N 2.94Å; K711-H715 PolarHBondContact O-CD2 3.3Å; K711-H715 VanDerWaalsContact O-CD2 3.23Å; K711-H715 PolarHBondContact O-N 3.19Å
712	E	70.6	Confident	72.5	Confident	116 Å²	116	88.1 Å²	88.1	54%	0.542	39%	0.392	S	S	.	.	H	α-helix	trans	-63.6	-44	176.4	-71.3	158.5	-158.8	0	0	111.4	R708 F710 H715 Q716	R708-E712 WeakPolarHBondContact O-CG 3.17Å; R708-E712 PolarHBondContact O-N 3.16Å; F710-E712 VanDerWaalsContact C-N 3.35Å; E712-H715 PolarHBondContact O-N 2.91Å; E712-Q716 WeakPolarHBondContact O-CG 3.17Å; E712-Q716 PolarHBondContact O-N 3.45Å
713	M	71.1	Confident	71.9	Confident	56 Å²	56	91.5 Å²	91.5	28%	0.276	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-44.4	173.8	-174.5	-171.1	78.5	0	0	112.3	M451 I455 P709 F710 Q716 F717	M451-M713 HydrophobicContact SD-CE 4.45Å; I455-M713 HydrophobicContact CG1-SD 4.15Å; P709-M713 VanDerWaalsContact O-CB 3.3Å; P709-M713 WeakPolarHBondContact O-CB 3.34Å; P709-M713 PolarHBondContact O-N 3.02Å; F710-M713 HydrophobicContact CD2-CE 3.81Å; F710-M713 HydrophobicContact CE2-CE 3.94Å; F710-M713 PolarHBondContact O-N 3.41Å; M713-Q716 PolarHBondContact O-N 3.07Å; M713-F717 WeakPolarHBondContact O-CB 3.47Å; M713-F717 PolarHBondContact O-N 3.35Å
714	I	75.3	Confident	71.2	Confident	78 Å²	78	100.5 Å²	100.5	40%	0.4	44%	0.441	S	S	.	.	H	α-helix	trans	-61.1	-46.5	174	-76.9	-178.2	0	0	0	110.5	F710 K711 Q716 F717 W718	F710-I714 HydrophobicContact CD1-CD1 3.94Å; F710-I714 HydrophobicContact CE1-CD1 3.3Å; F710-I714 HydrophobicContact CE1-CG1 4.23Å; F710-I714 HydrophobicContact CE2-CD1 4.3Å; F710-I714 HydrophobicContact CZ-CD1 3.51Å; F710-I714 HydrophobicContact CZ-CG1 4.24Å; F710-I714 PolarHBondContact O-N 3.27Å; K711-I714 PolarHBondContact O-N 2.94Å; I714-Q716 VanDerWaalsContact C-N 3.33Å; I714-Q716 PolarHBondContact O-N 3.03Å; I714-F717 PolarHBondContact O-N 3.32Å; I714-W718 WeakPolarHBondContact O-CB 3.43Å; I714-W718 PolarHBondContact O-N 3.34Å
715	H	73	Confident	70.2	Confident	141 Å²	141	108.9 Å²	108.9	65%	0.653	47%	0.472	S	S	*	.	H	α-helix	trans	-60.3	-41.4	178.6	-88.5	-71.3	0	0	0	112.2	K711 E712 Y719	K711-H715 PolarHBondContact O-CD2 3.3Å; K711-H715 VanDerWaalsContact O-CD2 3.23Å; K711-H715 PolarHBondContact O-N 3.19Å; E712-H715 PolarHBondContact O-N 2.91Å; H715-Y719 WeakPolarHBondContact O-CB 3.05Å; H715-Y719 PolarHBondContact O-N 3.17Å
716	Q	73.3	Confident	69.2	Low	134 Å²	134	109.8 Å²	109.8	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-43.8	173.8	-73.1	177.7	-11	0	0	112.1	E712 M713 I714 Y719 N720	E712-Q716 WeakPolarHBondContact O-CG 3.17Å; E712-Q716 PolarHBondContact O-N 3.45Å; M713-Q716 PolarHBondContact O-N 3.07Å; I714-Q716 VanDerWaalsContact C-N 3.33Å; I714-Q716 PolarHBondContact O-N 3.03Å; Q716-Y719 PolarHBondContact O-N 2.85Å; Q716-N720 WeakPolarHBondContact O-CB 3.47Å; Q716-N720 PolarHBondContact O-N 3.09Å; Q716-N720 PolarHBondContact O-OD1 3.3Å
717	F	74.3	Confident	68.2	Low	156 Å²	156	113.9 Å²	113.9	68%	0.684	50%	0.5	S	S	*	.	H	α-helix	trans	-65.3	-42	178.1	-164.9	-90.5	0	0	0	112	M713 I714 N720 Y721	M713-F717 WeakPolarHBondContact O-CB 3.47Å; M713-F717 PolarHBondContact O-N 3.35Å; I714-F717 PolarHBondContact O-N 3.32Å; F717-N720 PolarHBondContact O-N 3.33Å; F717-Y721 VanDerWaalsContact O-CB 3.3Å; F717-Y721 WeakPolarHBondContact O-CB 3.3Å; F717-Y721 PolarHBondContact O-N 3.15Å
718	W	75.9	Confident	67.1	Low	160 Å²	160	120.6 Å²	120.6	61%	0.606	54%	0.536	S	S	*	.	H	α-helix	trans	-68.7	-36.6	177.5	-139.3	84.4	0	0	0	111.8	I714 R722	I714-W718 WeakPolarHBondContact O-CB 3.43Å; I714-W718 PolarHBondContact O-N 3.34Å; W718-R722 VanDerWaalsContact O-CB 3.23Å; W718-R722 WeakPolarHBondContact O-CB 3.25Å; W718-R722 PolarHBondContact O-N 2.88Å
719	Y	73.1	Confident	66.3	Low	145 Å²	145	118.4 Å²	118.4	57%	0.569	54%	0.543	S	S	*	.	H	α-helix	trans	-62.1	-51.1	171.6	-177.1	-92.5	0	0	0	111.2	H715 Q716 Y721 R722 Q723	H715-Y719 WeakPolarHBondContact O-CB 3.05Å; H715-Y719 PolarHBondContact O-N 3.17Å; Q716-Y719 PolarHBondContact O-N 2.85Å; Y719-Y721 PolarHBondContact O-N 3.49Å; Y719-R722 PolarHBondContact O-N 3.06Å; Y719-Q723 HydrophobicContact CE1-CG 4.4Å; Y719-Q723 PolarHBondContact O-N 3.03Å
720	N	74.9	Confident	65.4	Low	91 Å²	91	125.8 Å²	125.8	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-62.9	-38.8	178.3	-69.1	-7.9	0	0	0	112.5	Q716 F717 Q723 R724	Q716-N720 WeakPolarHBondContact O-CB 3.47Å; Q716-N720 PolarHBondContact O-N 3.09Å; Q716-N720 PolarHBondContact O-OD1 3.3Å; F717-N720 PolarHBondContact O-N 3.33Å; N720-Q723 PolarHBondContact O-N 3.08Å; N720-R724 PolarHBondContact O-N 3.21Å
721	Y	73.9	Confident	64.1	Low	128 Å²	128	128.6 Å²	128.6	50%	0.502	60%	0.604	S	S	.	*	H	α-helix	trans	-64.5	-42.8	173.7	-179.5	-99.3	0	0	0	111.8	F717 Y719 R724 R725	F717-Y721 VanDerWaalsContact O-CB 3.3Å; F717-Y721 WeakPolarHBondContact O-CB 3.3Å; F717-Y721 PolarHBondContact O-N 3.15Å; Y719-Y721 PolarHBondContact O-N 3.49Å; Y721-R724 PolarHBondContact O-N 2.98Å; Y721-R725 WeakPolarHBondContact O-CB 3.42Å; Y721-R725 PolarHBondContact O-N 3.15Å
722	R	71.4	Confident	62.3	Low	175 Å²	175	132.1 Å²	132.1	66%	0.66	62%	0.623	S	S	*	*	H	α-helix	trans	-66.7	-35.2	175.9	-166.3	174.1	-172.8	174.3	2.5	112.1	W718 Y719 S726	W718-R722 VanDerWaalsContact O-CB 3.23Å; W718-R722 WeakPolarHBondContact O-CB 3.25Å; W718-R722 PolarHBondContact O-N 2.88Å; Y719-R722 PolarHBondContact O-N 3.06Å; R722-S726 WeakPolarHBondContact O-CB 3.36Å; R722-S726 PolarHBondContact O-N 2.77Å
723	Q	64.7	Low	60.7	Low	100 Å²	100	136 Å²	136	47%	0.467	64%	0.638	S	S	.	*	H	α-helix	trans	-65	-48.4	171.9	-111.4	-178.2	-16.6	0	0	111.8	Y719 N720 R725 S726 M727	Y719-Q723 HydrophobicContact CE1-CG 4.4Å; Y719-Q723 PolarHBondContact O-N 3.03Å; N720-Q723 PolarHBondContact O-N 3.08Å; Q723-R725 PolarHBondContact O-N 3.34Å; Q723-S726 CarbonylContact O-C 3.44Å; Q723-S726 WeakPolarHBondContact O-CA 3.39Å; Q723-S726 WeakPolarHBondContact O-CB 3.25Å; Q723-S726 PolarHBondContact O-N 3.07Å; Q723-M727 PolarHBondContact O-N 3.07Å
724	R	59.8	Low	58.8	Low	197 Å²	197	138.8 Å²	138.8	74%	0.743	66%	0.658	S	S	*	*	H	α-helix	trans	-55.6	-48.9	173.8	-89.4	-177	168.9	169.8	-2.9	112	N720 Y721 S726 M727 D728	N720-R724 PolarHBondContact O-N 3.21Å; Y721-R724 PolarHBondContact O-N 2.98Å; R724-S726 PolarHBondContact O-N 2.81Å; R724-M727 PolarHBondContact O-N 3Å; R724-D728 PolarHBondContact O-N 3.17Å; R724-D728 VanDerWaalsContact O-N 3.13Å
725	R	56.5	Low	56.6	Low	177 Å²	177	145.5 Å²	145.5	67%	0.668	68%	0.68	S	S	*	*	H	α-helix	trans	-65.1	-22.6	177.7	-157.3	174.5	-174.1	-179.1	2.1	113.4	Y721 Q723	Y721-R725 WeakPolarHBondContact O-CB 3.42Å; Y721-R725 PolarHBondContact O-N 3.15Å; Q723-R725 PolarHBondContact O-N 3.34Å
726	S	51.8	Low	54.7	Low	78 Å²	78	143.1 Å²	143.1	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-81.4	-23.7	171.9	-172.1	0	0	0	0	113.4	R722 Q723 R724	R722-S726 WeakPolarHBondContact O-CB 3.36Å; R722-S726 PolarHBondContact O-N 2.77Å; Q723-S726 CarbonylContact O-C 3.44Å; Q723-S726 WeakPolarHBondContact O-CA 3.39Å; Q723-S726 WeakPolarHBondContact O-CB 3.25Å; Q723-S726 PolarHBondContact O-N 3.07Å; R724-S726 PolarHBondContact O-N 2.81Å
727	M	51.1	Low	53.1	Low	150 Å²	150	142.4 Å²	142.4	74%	0.739	69%	0.692	S	S	*	*	H	α-helix	trans	-80	-38.6	174.6	-67.8	-168.4	78.9	0	0	111.6	Q723 R724 S729 K730	Q723-M727 PolarHBondContact O-N 3.07Å; R724-M727 PolarHBondContact O-N 3Å; M727-S729 PolarHBondContact O-N 3.34Å; M727-S729 VanDerWaalsContact O-N 3.09Å; M727-K730 PolarHBondContact O-N 3.23Å
728	D	48.3	Very low	50.7	Low	144 Å²	144	139.5 Å²	139.5	77%	0.77	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-18.9	172.3	-77.1	-32.2	0	0	0	113.5	R724	R724-D728 PolarHBondContact O-N 3.17Å; R724-D728 VanDerWaalsContact O-N 3.13Å
729	S	48.3	Very low	48.7	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-12.9	177.3	-167.7	0	0	0	0	114	M727	M727-S729 PolarHBondContact O-N 3.34Å; M727-S729 VanDerWaalsContact O-N 3.09Å
730	K	45.2	Very low	46.4	Very low	183 Å²	183	141.1 Å²	141.1	80%	0.796	71%	0.71	S	S	*	*	S	Bend	trans	-116.3	82.9	175.5	-73	-172.1	176.1	-175.8	0	109.1	M727	M727-K730 PolarHBondContact O-N 3.23Å
731	G	43.7	Very low	44.3	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	73%	0.731	S	S	*	*			trans	-67.6	134.6	-164.7	0	0	0	0	0	115.3
732	Q	31.8	Very low	41.9	Very low	195 Å²	195	147.9 Å²	147.9	91%	0.911	74%	0.741	S	S	*	*			trans	-147.3	126.7	147.4	-130.4	170.1	-7.7	0	0	109.2
733	K	38.3	Very low	40.3	Very low	198 Å²	198	148.3 Å²	148.3	86%	0.861	75%	0.751	S	S	*	*			trans	-78.5	131.8	174.2	-64.8	174.9	177.6	177	0	108.8
734	T	30.6	Very low	38.3	Very low	114 Å²	114	152 Å²	152	70%	0.699	77%	0.77	S	S	*	*				174	150.9	114.9	32.9	0	0	0	0	114.3
735	Y	29.3	Very low	36.8	Very low	218 Å²	218	153.4 Å²	153.4	86%	0.855	78%	0.776	S	S	*	*			trans	57.8	125.2	162.3	-58	-63.3	0	0	0	121.3
736	A	33.1	Very low	35.7	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	78%	0.779	S	S	*	*			trans	-78.2	156.9	152.6	0	0	0	0	0	108.7
737	P	39.2	Very low	34.5	Very low	118 Å²	118	153.4 Å²	153.4	77%	0.766	79%	0.788	S	S	*	*				-148.8	-166.6	52.7	42.5	-21.8	0	0	0	116.9
738	S	24.1	Very low	33.2	Very low	95 Å²	95	154.1 Å²	154.1	66%	0.664	79%	0.79	S	S	*	*			trans	80.2	118.7	158.2	65.7	0	0	0	0	120.6	I740	S738-I740 PolarHBondContact O-N 2.91Å
739	F	34.1	Very low	32	Very low	209 Å²	209	156.3 Å²	156.3	92%	0.917	80%	0.795	S	S	*	*			trans	-62.8	107.7	154	-106.4	-107	0	0	0	109.2
740	I	24.9	Very low	30.7	Very low	131 Å²	131	159.9 Å²	159.9	67%	0.672	80%	0.803	S	S	*	*			trans	-135.7	127.7	161.5	-61.8	-176	0	0	0	108.1	S738 V742	S738-I740 PolarHBondContact O-N 2.91Å; I740-V742 HydrophobicContact CG2-CG2 4.25Å
741	W	30.6	Very low	30.7	Very low	241 Å²	241	156.1 Å²	156.1	91%	0.913	80%	0.797	S	S	*	*			trans	-72	128.7	169.5	-83.6	68	0	0	0	109.3
742	V	23.6	Very low	30.6	Very low	120 Å²	120	157.4 Å²	157.4	73%	0.727	79%	0.792	S	S	*	*			trans	-128.9	118.1	169.2	177.9	0	0	0	0	108.3	I740	I740-V742 HydrophobicContact CG2-CG2 4.25Å
743	E	37.3	Very low	30.3	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	79%	0.785	S	S	*	*			trans	-71.4	133.7	161.6	-62.3	177.9	122.2	0	0	108.9
744	M	22.3	Very low	29.7	Very low	178 Å²	178	153.3 Å²	153.3	88%	0.877	78%	0.781	S	S	*	*			trans	-160.5	145.5	142.1	-137.8	135.9	73.2	0	0	113.4
745	W	29.7	Very low	29.4	Very low	227 Å²	227	156.3 Å²	156.3	86%	0.86	79%	0.789	S	S	*	*			trans	-82.9	173.8	167.4	-72.4	32.6	0	0	0	111.1
746	P	33.6	Very low	29.1	Very low	112 Å²	112	155.5 Å²	155.5	73%	0.727	79%	0.789	S	S	*	*				-126.9	143.5	109.7	3.4	18.5	0	0	0	112
747	L	24.8	Very low	29.4	Very low	143 Å²	143	156.1 Å²	156.1	75%	0.749	79%	0.786	S	S	*	*				61.2	137.4	76.1	-62.6	168.8	0	0	0	113.3
748	Q	25.1	Very low	28.7	Very low	164 Å²	164	157.5 Å²	157.5	77%	0.766	79%	0.787	S	S	*	*			cis	-175.5	143.9	-5.1	160.9	177.9	-8.5	0	0	108.4
749	E	23	Very low	28.7	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	79%	0.788	S	S	*	*			trans	-174	141	147.3	-110.7	170	-146.2	0	0	113.8
750	M	21	Very low	28.3	Very low	175 Å²	175	158.5 Å²	158.5	86%	0.862	79%	0.785	S	S	*	*			trans	178.2	167.7	-178.5	-97.1	-125.3	-60.9	0	0	107
751	P	45	Very low	28.2	Very low	103 Å²	103	157.5 Å²	157.5	67%	0.669	79%	0.785	S	S	*	*			cis	-128.1	-146.8	-18.4	37.6	-15.5	0	0	0	109.1
752	P	42.2	Very low	28.1	Very low	99 Å²	99	156.1 Å²	156.1	64%	0.643	78%	0.781	S	S	*	*			cis	-130.1	-157.1	-10.5	44	-23.9	0	0	0	112
753	E	24.5	Very low	28.7	Very low	162 Å²	162	156 Å²	156	76%	0.757	78%	0.783	S	S	*	*			cis	-157.4	173.7	-0.6	-148.8	155.8	-79.7	0	0	113.7
754	L	25.2	Very low	28.1	Very low	146 Å²	146	153.6 Å²	153.6	76%	0.764	78%	0.784	S	S	*	*			trans	77.8	142.4	149.7	-130.1	74.9	0	0	0	123.2
755	M	24.2	Very low	28.4	Very low	177 Å²	177	153.9 Å²	153.9	87%	0.872	78%	0.784	S	S	*	*			trans	80.5	112.6	171.2	-66.6	-171.7	109.5	0	0	120.6
756	K	23.9	Very low	28.3	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	79%	0.788	S	S	*	*			trans	-116.3	174.3	152.4	-88.9	-173.4	179.1	-179.2	0	106.8
757	P	38.7	Very low	28	Very low	106 Å²	106	152.7 Å²	152.7	69%	0.688	79%	0.794	S	S	*	*			cis	-125	178.7	-5.9	35.3	-17.7	0	0	0	113.2
758	D	24.3	Very low	28.2	Very low	146 Å²	146	154 Å²	154	78%	0.781	80%	0.8	S	S	*	*				-169.5	155.6	115.2	-106.3	-21.5	0	0	0	116
759	L	24.9	Very low	28.3	Very low	131 Å²	131	153.6 Å²	153.6	69%	0.686	80%	0.802	S	S	*	*			trans	0.4	126.4	167.4	-92.5	57	0	0	0	120.6
760	F	24.9	Very low	28.5	Very low	195 Å²	195	150.1 Å²	150.1	86%	0.855	80%	0.799	S	S	*	*				-172.3	133.1	93.3	-105.8	-75	0	0	0	111.1
761	T	24.7	Very low	28.9	Very low	110 Å²	110	150.5 Å²	150.5	68%	0.675	80%	0.798	S	S	*	*			trans	-137	140.6	-179.9	36.9	0	0	0	0	112.1
762	Y	26.6	Very low	27.9	Very low	212 Å²	212	151 Å²	151	83%	0.831	80%	0.804	S	S	*	*			trans	71.1	162.3	164.9	-61.9	-56.2	0	0	0	117.2
763	P	37.9	Very low	27.3	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	82%	0.816	S	S	*	*			cis	-131.3	159.4	12.5	40.6	-24.3	0	0	0	117.6
764	C	24.8	Very low	27.5	Very low	132 Å²	132	156.4 Å²	156.4	89%	0.892	82%	0.821	S	S	*	*			trans	-151.9	61	149.1	-159	0	0	0	0	110.5
765	E	28	Very low	27.7	Very low	185 Å²	185	157.8 Å²	157.8	86%	0.864	83%	0.828	S	S	*	*			trans	-145.2	150.8	168.8	-118.8	172.5	-158.7	0	0	110.1
766	M	27.5	Very low	28	Very low	191 Å²	191	156 Å²	156	94%	0.941	82%	0.822	S	S	*	*			trans	68.2	102.1	179.3	-99.8	178.7	-174.9	0	0	119.9
767	S	26.5	Very low	28.2	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	81%	0.814	S	S	*	*			trans	-155.6	83.1	131.7	57	0	0	0	0	111.9
768	L	29.3	Very low	27.9	Very low	170 Å²	170	156.6 Å²	156.6	89%	0.89	82%	0.822	S	S	*	*			trans	-133.8	87.8	164.3	-102	172.5	0	0	0	108.7
769	I	28.2	Very low	28.4	Very low	157 Å²	157	159 Å²	159	81%	0.805	85%	0.85	S	S	*	*			trans	-130.4	110.3	164.2	-63.2	-177.8	0	0	0	107.6	Q771	I769-Q771 HydrophobicContact CG2-CG 4.4Å
770	S	27.3	Very low	28.6	Very low	116 Å²	116	160.4 Å²	160.4	81%	0.811	86%	0.858	S	S	*	*			trans	-79	121.3	164.1	52.7	0	0	0	0	109.4
771	Q	27.6	Very low	28.8	Very low	183 Å²	183	158.5 Å²	158.5	86%	0.855	86%	0.858	S	S	*	*			trans	-132.6	126.7	155.6	-83.3	-167.3	-17.1	0	0	110.5	I769	I769-Q771 HydrophobicContact CG2-CG 4.4Å
772	S	25.9	Very low	29	Very low	114 Å²	114	161.2 Å²	161.2	80%	0.797	87%	0.868	S	S	*	*			trans	-85.5	134.5	171.6	55.8	0	0	0	0	110.3
773	T	29	Very low	29.2	Very low	144 Å²	144	158.2 Å²	158.2	88%	0.883	87%	0.871	S	S	*	*			trans	-151.1	136.1	148.2	11.5	0	0	0	0	110.5
774	R	29.2	Very low	28.6	Very low	231 Å²	231	160.8 Å²	160.8	87%	0.872	88%	0.878	S	S	*	*			trans	-67.1	147.4	171.2	-64.2	167.5	169.5	168.5	-6.1	109.8
775	L	29.5	Very low	28.9	Very low	175 Å²	175	162.7 Å²	162.7	92%	0.916	88%	0.877	S	S	*	*			trans	-153.6	146.9	133.5	-112.4	145.8	0	0	0	110.7
776	N	30.6	Very low	28.9	Very low	138 Å²	138	161.1 Å²	161.1	74%	0.738	88%	0.877	S	S	*	*			trans	-92.1	165.5	-168.7	-69.4	-29.1	0	0	0	112.7
777	S	27.5	Very low	29.1	Very low	99 Å²	99	158.8 Å²	158.8	69%	0.692	87%	0.873	S	S	*	*			trans	94.5	139.2	130.4	70.4	0	0	0	0	121.5
778	Y	32.7	Very low	29.3	Very low	221 Å²	221	161.9 Å²	161.9	87%	0.867	87%	0.874	S	S	*	*			trans	98.8	132.3	155.4	-71.9	-70.7	0	0	0	120.5
779	S	34.6	Very low	29.3	Very low	195 Å²	195	161.2 Å²	161.2	100%	1.364	87%	0.873	S	S	*	*			trans	53	0	-176.4	68.2	0	0	0	0	116.9

Retrieved 779 of 779 residues in 177.5 ms (Link to these results)

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