A0A087XAD7_POEFO Loading...

SUMO specific peptidase 1

AlphaFold DB , UniProt , Accession A0A087XAD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	42.9	Very low	208 Å²	208	135 Å²	135	100%	1.025	64%	0.636	S	S	*	*				0	-61	0	-156.2	171.2	-78.3	0	0	110.7	N3 K4	M1-N3 PolarHBondContact O-N 3.1Å; M1-K4 PolarHBondContact O-N 3.07Å; M1-K4 VanDerWaalsContact O-N 3.08Å
2	L	41.8	Very low	42.3	Very low	124 Å²	124	129.7 Å²	129.7	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-49.3	-42.8	-179.6	-76.8	160.8	0	0	0	115.7	K4 I5 Y6	L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 2.94Å; L2-I5 HydrophobicContact CD2-CD1 4.48Å; L2-I5 WeakPolarHBondContact O-CA 3.37Å; L2-I5 VanDerWaalsContact O-CB 3.32Å; L2-I5 WeakPolarHBondContact O-CB 3.34Å; L2-I5 PolarHBondContact O-N 3.06Å; L2-Y6 PolarHBondContact O-N 2.99Å
3	N	44.1	Very low	42.2	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	63%	0.631	S	S	*	*	H	α-helix	trans	-61.4	-32	-179.5	-60.3	36.9	0	0	0	113.5	M1 I5 Y6 E7	M1-N3 PolarHBondContact O-N 3.1Å; N3-I5 PolarHBondContact O-N 2.83Å; N3-Y6 PolarHBondContact O-N 3Å; N3-E7 PolarHBondContact O-N 3.1Å; N3-E7 VanDerWaalsContact O-N 3.16Å
4	K	44.1	Very low	41.9	Very low	159 Å²	159	127.1 Å²	127.1	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-71.6	-19.4	174	-72.9	-158.1	167.5	-162.4	0	113.3	M1 L2 W8	M1-K4 PolarHBondContact O-N 3.07Å; M1-K4 VanDerWaalsContact O-N 3.08Å; L2-K4 VanDerWaalsContact C-N 3.27Å; L2-K4 PolarHBondContact O-N 2.94Å; K4-W8 WeakPolarHBondContact O-CB 3.28Å; K4-W8 PolarHBondContact O-N 2.97Å
5	I	47.4	Very low	41.5	Very low	83 Å²	83	127.7 Å²	127.7	43%	0.426	63%	0.629	S	S	.	*	H	α-helix	trans	-76.9	-34.5	172.4	-58.4	175.2	0	0	0	109.5	L2 N3 W8 I9	L2-I5 HydrophobicContact CD2-CD1 4.48Å; L2-I5 WeakPolarHBondContact O-CA 3.37Å; L2-I5 VanDerWaalsContact O-CB 3.32Å; L2-I5 WeakPolarHBondContact O-CB 3.34Å; L2-I5 PolarHBondContact O-N 3.06Å; N3-I5 PolarHBondContact O-N 2.83Å; I5-W8 PolarHBondContact O-N 2.87Å; I5-I9 HydrophobicContact CG2-CD1 3.92Å; I5-I9 WeakPolarHBondContact O-CD1 3.45Å; I5-I9 VanDerWaalsContact O-CG1 3.27Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 3.04Å; I5-I9 VanDerWaalsContact O-N 3.07Å
6	Y	41.5	Very low	41.3	Very low	161 Å²	161	129.1 Å²	129.1	63%	0.631	64%	0.639	S	S	*	*	H	α-helix	trans	-66.4	-49	173.7	-89.5	-94.4	0	0	0	112.6	L2 N3 W8 I9 E10	L2-Y6 PolarHBondContact O-N 2.99Å; N3-Y6 PolarHBondContact O-N 3Å; Y6-W8 PolarHBondContact O-N 3.18Å; Y6-I9 PolarHBondContact O-N 3.46Å; Y6-I9 VanDerWaalsContact O-N 3.08Å; Y6-E10 PolarHBondContact O-N 2.61Å
7	E	41.1	Very low	41.1	Very low	122 Å²	122	134.9 Å²	134.9	57%	0.57	65%	0.652	S	S	*	*	H	α-helix	trans	-54.4	-39.2	174.4	-70	178	119.9	0	0	112.3	N3 T11	N3-E7 PolarHBondContact O-N 3.1Å; N3-E7 VanDerWaalsContact O-N 3.16Å; E7-T11 WeakPolarHBondContact O-CB 3.46Å; E7-T11 WeakPolarHBondContact O-CG2 3.42Å; E7-T11 PolarHBondContact O-N 2.78Å; E7-T11 VanDerWaalsContact O-N 3.07Å; E7-T11 PolarHBondContact O-OG1 3Å
8	W	38	Very low	41.2	Very low	195 Å²	195	135.8 Å²	135.8	74%	0.739	66%	0.661	S	S	*	*	H	α-helix	trans	-73	-29.8	-179.6	-158.4	59.5	0	0	0	113.2	K4 I5 Y6 T11 S12	K4-W8 WeakPolarHBondContact O-CB 3.28Å; K4-W8 PolarHBondContact O-N 2.97Å; I5-W8 PolarHBondContact O-N 2.87Å; Y6-W8 PolarHBondContact O-N 3.18Å; W8-T11 WeakPolarHBondContact CA-OG1 3.27Å; W8-T11 PolarHBondContact O-OG1 2.84Å; W8-S12 WeakPolarHBondContact O-CB 3.28Å; W8-S12 PolarHBondContact O-N 2.65Å
9	I	47.3	Very low	40.5	Very low	84 Å²	84	132.5 Å²	132.5	43%	0.431	67%	0.666	S	S	.	*	H	α-helix	trans	-75.2	-43.5	174.6	-71	166.5	0	0	0	110.9	I5 Y6 S12 F13	I5-I9 HydrophobicContact CG2-CD1 3.92Å; I5-I9 WeakPolarHBondContact O-CD1 3.45Å; I5-I9 VanDerWaalsContact O-CG1 3.27Å; I5-I9 WeakPolarHBondContact O-CG1 3.28Å; I5-I9 PolarHBondContact O-N 3.04Å; I5-I9 VanDerWaalsContact O-N 3.07Å; Y6-I9 PolarHBondContact O-N 3.46Å; Y6-I9 VanDerWaalsContact O-N 3.08Å; I9-S12 PolarHBondContact O-N 3.09Å; I9-F13 HydrophobicContact CG2-CD2 4.4Å; I9-F13 PolarHBondContact O-N 2.85Å; I9-F13 VanDerWaalsContact O-N 3.15Å
10	E	40	Very low	40.1	Very low	139 Å²	139	135.2 Å²	135.2	65%	0.65	68%	0.676	S	S	*	*	H	α-helix	trans	-66.1	-42.3	179.1	-69.4	-175.7	153.1	0	0	112.1	Y6 F13 A14	Y6-E10 PolarHBondContact O-N 2.61Å; E10-F13 PolarHBondContact O-N 3.03Å; E10-A14 PolarHBondContact O-N 2.71Å
11	T	42.8	Very low	40.2	Very low	77 Å²	77	134.1 Å²	134.1	47%	0.472	68%	0.678	S	S	.	*	H	α-helix	trans	-67.5	-33.3	175	48.6	0	0	0	0	113.2	E7 W8 A14 N15	E7-T11 WeakPolarHBondContact O-CB 3.46Å; E7-T11 WeakPolarHBondContact O-CG2 3.42Å; E7-T11 PolarHBondContact O-N 2.78Å; E7-T11 VanDerWaalsContact O-N 3.07Å; E7-T11 PolarHBondContact O-OG1 3Å; W8-T11 WeakPolarHBondContact CA-OG1 3.27Å; W8-T11 PolarHBondContact O-OG1 2.84Å; T11-A14 PolarHBondContact O-N 2.94Å; T11-N15 PolarHBondContact O-ND2 2.83Å
12	S	36.5	Very low	39.4	Very low	71 Å²	71	128.9 Å²	128.9	50%	0.497	67%	0.668	S	S	.	*	H	α-helix	trans	-67.7	-36.5	176	-169.6	0	0	0	0	112.6	W8 I9	W8-S12 WeakPolarHBondContact O-CB 3.28Å; W8-S12 PolarHBondContact O-N 2.65Å; I9-S12 PolarHBondContact O-N 3.09Å
13	F	40	Very low	38.9	Very low	162 Å²	162	129.6 Å²	129.6	71%	0.711	68%	0.677	S	S	*	*	H	α-helix	trans	-71.1	-29.2	175.9	-99.5	-84.2	0	0	0	114.1	I9 E10	I9-F13 HydrophobicContact CG2-CD2 4.4Å; I9-F13 PolarHBondContact O-N 2.85Å; I9-F13 VanDerWaalsContact O-N 3.15Å; E10-F13 PolarHBondContact O-N 3.03Å
14	A	37.9	Very low	38.4	Very low	62 Å²	62	131.2 Å²	131.2	51%	0.512	68%	0.681	S	S	.	*	H	α-helix	trans	-68.3	-33.7	178.1	0	0	0	0	0	113	E10 T11 L16	E10-A14 PolarHBondContact O-N 2.71Å; T11-A14 PolarHBondContact O-N 2.94Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.01Å
15	N	37	Very low	37.6	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-2.1	-172.9	-70.4	-22.2	0	0	0	114.8	T11	T11-N15 PolarHBondContact O-ND2 2.83Å
16	L	37.3	Very low	36.7	Very low	151 Å²	151	131.7 Å²	131.7	79%	0.791	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	17.7	179.3	-86.1	166.7	0	0	0	114.1	A14	A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3.01Å
17	R	39	Very low	36.8	Very low	228 Å²	228	129 Å²	129	86%	0.86	70%	0.702	S	S	*	*	S	Bend	trans	-128.3	-2.5	-174	-142.3	-179	-176.3	-167.3	-0.7	117
18	N	42.2	Very low	36.2	Very low	151 Å²	151	132.1 Å²	132.1	81%	0.807	72%	0.717	S	S	*	*			trans	-132.4	140.2	-174.8	-71.6	-27.2	0	0	0	112.8
19	G	27.8	Very low	35.7	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	72%	0.72	S	S	*	*			trans	100.8	129.4	176.7	0	0	0	0	0	113
20	E	33.5	Very low	35.3	Very low	185 Å²	185	133 Å²	133	86%	0.864	74%	0.737	S	S	*	*			cis	-154.8	-176	-1.9	-76.5	-159.5	139.6	0	0	108.6
21	P	40.8	Very low	34.7	Very low	113 Å²	113	132 Å²	132	73%	0.734	74%	0.741	S	S	*	*				-121.9	-179.3	-56.4	36	-22.3	0	0	0	111.3
22	A	26.9	Very low	35.2	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	75%	0.75	S	S	*	*			trans	-98.9	150.9	169.2	0	0	0	0	0	111.7
23	V	31.1	Very low	34.8	Very low	139 Å²	139	136.5 Å²	136.5	84%	0.842	77%	0.767	S	S	*	*			trans	-129.5	138.1	167.8	177.4	0	0	0	0	108.2
24	E	33.3	Very low	34.2	Very low	168 Å²	168	136 Å²	136	79%	0.785	77%	0.772	S	S	*	*			trans	-75.8	141.6	-176	-58.4	171.7	122.9	0	0	111.9
25	N	28.8	Very low	33.7	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	78%	0.784	S	S	*	*				-175.7	160.4	100.6	-97.1	-75.9	0	0	0	112.7
26	S	28.3	Very low	34.4	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	79%	0.787	S	S	*	*			trans	-85	178.1	177.1	52.9	0	0	0	0	111
27	P	42.3	Very low	34.1	Very low	103 Å²	103	136 Å²	136	67%	0.669	79%	0.788	S	S	*	*			cis	-146.2	172.8	19.3	44.3	-24.3	0	0	0	120.3
28	E	28.5	Very low	33.6	Very low	189 Å²	189	134.3 Å²	134.3	88%	0.883	78%	0.782	S	S	*	*			trans	81.1	154	141	-85.1	164.5	-144	0	0	124.4
29	H	27.6	Very low	33	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.815	78%	0.78	S	S	*	*			trans	-93.2	175.9	-176.1	-91.4	-52.8	0	0	0	110.5
30	P	39.9	Very low	33.2	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	79%	0.787	S	S	*	*			cis	-144.2	-166.1	29	42.8	-20.6	0	0	0	117.7
31	T	26.2	Very low	33	Very low	119 Å²	119	145.7 Å²	145.7	73%	0.73	79%	0.788	S	S	*	*			trans	-94.8	-156.7	-179.4	59.5	0	0	0	0	111.3
32	P	54.3	Low	32.6	Very low	102 Å²	102	145.6 Å²	145.6	66%	0.662	79%	0.788	S	S	*	*			cis	-125.8	-176	-43.6	30	-11.5	0	0	0	112.3
33	T	28.9	Very low	32.8	Very low	140 Å²	140	147.8 Å²	147.8	86%	0.859	78%	0.784	S	S	*	*				178.5	169.4	120.3	28.8	0	0	0	0	115.2
34	N	27.3	Very low	32.6	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	78%	0.779	S	S	*	*			trans	-102.4	134.7	-158.4	-62.8	-58	0	0	0	116.2
35	A	27.3	Very low	32.2	Very low	93 Å²	93	145.3 Å²	145.3	77%	0.769	78%	0.78	S	S	*	*			trans	68.1	-176.3	130	0	0	0	0	0	118.5
36	P	51.6	Low	32.6	Very low	120 Å²	120	145.8 Å²	145.8	78%	0.779	78%	0.781	S	S	*	*				-134.3	170.4	-114.6	36	-14.8	0	0	0	116.5
37	V	31.1	Very low	32.7	Very low	136 Å²	136	149.5 Å²	149.5	82%	0.824	79%	0.788	S	S	*	*			trans	-168.7	129.5	149.7	126.8	0	0	0	0	116.9
38	R	28.6	Very low	32.1	Very low	192 Å²	192	151.5 Å²	151.5	73%	0.725	79%	0.793	S	S	*	*			trans	37.2	118.2	148.7	-63.5	176.6	168.3	-179.7	-1	124.4
39	R	29.2	Very low	32.4	Very low	204 Å²	204	149.2 Å²	149.2	77%	0.77	79%	0.786	S	S	*	*				92	135.2	112.8	-77.4	179.3	172.1	171.2	-3.9	123.1
40	K	31.6	Very low	32.9	Very low	206 Å²	206	147.4 Å²	147.4	90%	0.896	78%	0.783	S	S	*	*			trans	89.8	124	156.8	-71.2	-179	176.1	-173.6	0	118.1
41	R	28.7	Very low	32.6	Very low	237 Å²	237	146.5 Å²	146.5	89%	0.894	78%	0.779	S	S	*	*			trans	-83.4	170.5	167.8	-45.9	179	-179.6	170.8	-3.4	110.1
42	P	33.8	Very low	33.2	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	78%	0.775	S	S	*	*				-139.1	151.4	74.5	37.9	-23.2	0	0	0	116.2
43	I	29.4	Very low	32.6	Very low	143 Å²	143	149 Å²	149	73%	0.733	78%	0.777	S	S	*	*			trans	51.4	127.4	139.1	-61.4	169.7	0	0	0	119
44	D	28.1	Very low	32.9	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	77%	0.772	S	S	*	*			cis	-166.7	141.8	-15.9	-96.5	-21.4	0	0	0	106.9
45	C	25.4	Very low	33.4	Very low	120 Å²	120	150.1 Å²	150.1	81%	0.811	77%	0.767	S	S	*	*			trans	173.4	134	148	-107.7	0	0	0	0	113.8
46	L	35.6	Very low	34.1	Very low	159 Å²	159	151.3 Å²	151.3	83%	0.832	76%	0.757	S	S	*	*			trans	61.8	100.5	150.5	-55.6	175.3	0	0	0	120.9
47	E	30.3	Very low	33.6	Very low	181 Å²	181	151.4 Å²	151.4	85%	0.846	75%	0.75	S	S	*	*			trans	172.4	150.3	150.7	-98.9	161.8	-167.4	0	0	105.6
48	D	31.1	Very low	34.1	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	74%	0.738	S	S	*	*			cis	-140.5	169.2	8.3	-73.8	-60.9	0	0	0	111
49	D	33.4	Very low	34.8	Very low	141 Å²	141	145.3 Å²	145.3	75%	0.754	73%	0.729	S	S	*	*			trans	-140.6	72.5	161.4	-172.9	20.5	0	0	0	110.5
50	D	37.9	Very low	35.4	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	72%	0.719	S	S	*	*			trans	-141.2	52.7	-172.5	-156.1	6.3	0	0	0	112.9
51	S	34.1	Very low	35.9	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	71%	0.713	S	S	*	*			trans	-129.2	11.1	-177.7	69.3	0	0	0	0	115.4
52	I	39.6	Very low	36.6	Very low	124 Å²	124	133.2 Å²	133.2	64%	0.636	70%	0.696	S	S	*	*	S	Bend	trans	-104.4	-29.6	-170.8	-62.5	178.9	0	0	0	113.2	Q54	I52-Q54 PolarHBondContact O-N 2.71Å
53	E	40.4	Very low	37.1	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	70%	0.697	S	S	*	*	H	α-helix	trans	-69.1	-34	-173.4	-67.8	-120.6	119.6	0	0	113.7	H56 L57	E53-H56 PolarHBondContact O-N 2.73Å; E53-L57 PolarHBondContact O-N 3.3Å
54	Q	35.7	Very low	37.6	Very low	164 Å²	164	135.7 Å²	135.7	77%	0.766	69%	0.688	S	S	*	*	H	α-helix	trans	-75.9	-33.6	-165.9	-153.9	166.1	33.4	0	0	113.9	I52 H56	I52-Q54 PolarHBondContact O-N 2.71Å; Q54-H56 VanDerWaalsContact C-N 3.32Å
55	E	39.2	Very low	38.3	Very low	151 Å²	151	130.8 Å²	130.8	71%	0.706	67%	0.669	S	S	*	*	H	α-helix	trans	-66.2	-36.8	172	-65.4	-160.2	138.9	0	0	111.6	L57 I58 V59	E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.03Å; E55-I58 PolarHBondContact O-N 3.16Å; E55-I58 VanDerWaalsContact O-N 3.09Å; E55-V59 PolarHBondContact O-N 3.37Å; E55-V59 VanDerWaalsContact O-N 3.14Å
56	H	41.6	Very low	39.3	Very low	118 Å²	118	130.3 Å²	130.3	55%	0.546	66%	0.658	S	S	.	*	H	α-helix	trans	-71.6	-22.9	-173.4	-157.7	-150.1	0	0	0	113.1	E53 Q54 K60	E53-H56 PolarHBondContact O-N 2.73Å; Q54-H56 VanDerWaalsContact C-N 3.32Å; H56-K60 WeakPolarHBondContact O-CG 3.37Å
57	L	41	Very low	39.7	Very low	122 Å²	122	127.6 Å²	127.6	64%	0.639	64%	0.644	S	S	*	*	H	α-helix	trans	-73.7	-38.3	167.5	-91.7	89.5	0	0	0	112.9	E53 E55 K60 K61	E53-L57 PolarHBondContact O-N 3.3Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.03Å; L57-K60 PolarHBondContact O-N 2.59Å; L57-K61 PolarHBondContact O-N 3.07Å
58	I	40.3	Very low	40.6	Very low	113 Å²	113	123.4 Å²	123.4	58%	0.579	63%	0.626	S	S	*	*	H	α-helix	trans	-66.9	-45	-177.4	-63.4	171.9	0	0	0	110.1	E55 K60 K61 T62	E55-I58 PolarHBondContact O-N 3.16Å; E55-I58 VanDerWaalsContact O-N 3.09Å; I58-K60 VanDerWaalsContact C-N 3.28Å; I58-K60 PolarHBondContact O-N 3.02Å; I58-K61 PolarHBondContact O-N 3.45Å; I58-T62 PolarHBondContact O-N 3.34Å
59	V	43.6	Very low	41.2	Very low	87 Å²	87	120.2 Å²	120.2	53%	0.527	61%	0.61	S	S	.	*	H	α-helix	trans	-63.2	-31.1	176.9	176.7	0	0	0	0	112.6	E55 T62 R63	E55-V59 PolarHBondContact O-N 3.37Å; E55-V59 VanDerWaalsContact O-N 3.14Å; V59-T62 PolarHBondContact O-OG1 2.94Å; V59-R63 WeakPolarHBondContact O-CB 3.23Å
60	K	42.8	Very low	42	Very low	130 Å²	130	117.3 Å²	117.3	57%	0.565	60%	0.6	S	S	*	*	H	α-helix	trans	-70.8	-29.4	173.3	-77.8	174.2	-178.4	172.5	0	112.9	H56 L57 I58	H56-K60 WeakPolarHBondContact O-CG 3.37Å; L57-K60 PolarHBondContact O-N 2.59Å; I58-K60 VanDerWaalsContact C-N 3.28Å; I58-K60 PolarHBondContact O-N 3.02Å
61	K	41.6	Very low	42.6	Very low	175 Å²	175	115.1 Å²	115.1	76%	0.761	59%	0.592	S	S	*	*	H	α-helix	trans	-80.1	-37.8	-174.8	-160.5	173.1	-175.1	178.8	0	112.9	L57 I58	L57-K61 PolarHBondContact O-N 3.07Å; I58-K61 PolarHBondContact O-N 3.45Å
62	T	43.1	Very low	43.1	Very low	89 Å²	89	116.5 Å²	116.5	55%	0.546	58%	0.582	S	S	.	*	H	α-helix	trans	-65.5	-50.1	173	46.5	0	0	0	0	111.4	I58 V59 M64 G65 D66	I58-T62 PolarHBondContact O-N 3.34Å; V59-T62 PolarHBondContact O-OG1 2.94Å; T62-M64 PolarHBondContact O-N 3.32Å; T62-G65 PolarHBondContact O-N 2.75Å; T62-D66 PolarHBondContact O-N 3.22Å
63	R	45.3	Very low	43.5	Very low	196 Å²	196	114.3 Å²	114.3	74%	0.74	58%	0.577	S	S	*	*	H	α-helix	trans	-60	-18.9	-177.6	-162.7	176.4	-172.7	-175.9	3.7	114.7	V59	V59-R63 WeakPolarHBondContact O-CB 3.23Å
64	M	39.3	Very low	43.7	Very low	111 Å²	111	110.1 Å²	110.1	55%	0.547	57%	0.568	S	S	.	*	H	α-helix	trans	-80.2	-31.3	173.5	-163.6	66.7	71.6	0	0	112.6	T62 L67 I68	T62-M64 PolarHBondContact O-N 3.32Å; M64-L67 HydrophobicContact SD-CD2 4.46Å; M64-I68 HydrophobicContact CG-CD1 4.23Å; M64-I68 WeakPolarHBondContact O-CG1 3.43Å; M64-I68 PolarHBondContact O-N 2.66Å
65	G	43.3	Very low	44	Very low	32 Å²	32	104.9 Å²	104.9	33%	0.33	55%	0.553	S	S	.	*	H	α-helix	trans	-65.2	-50.9	175.6	0	0	0	0	0	111.6	T62 L67 I68 D69	T62-G65 PolarHBondContact O-N 2.75Å; G65-L67 PolarHBondContact O-N 2.69Å; G65-I68 PolarHBondContact O-N 3.44Å; G65-D69 PolarHBondContact O-N 3.12Å
66	D	46.3	Very low	44.3	Very low	111 Å²	111	102.8 Å²	102.8	59%	0.594	54%	0.543	S	S	*	.	H	α-helix	trans	-54.5	-37.9	178.3	-53.3	-37.9	0	0	0	112.3	T62 S70	T62-D66 PolarHBondContact O-N 3.22Å; D66-S70 WeakPolarHBondContact O-CB 3.46Å; D66-S70 PolarHBondContact O-N 3.1Å
67	L	43.6	Very low	44.4	Very low	102 Å²	102	99 Å²	99	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-42.6	177.8	-176.5	62.1	0	0	0	112.1	M64 G65 V71	M64-L67 HydrophobicContact SD-CD2 4.46Å; G65-L67 PolarHBondContact O-N 2.69Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.33Å; L67-V71 PolarHBondContact O-N 2.72Å
68	I	50.3	Low	44.7	Very low	92 Å²	92	98.1 Å²	98.1	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-66.9	-42.2	179.3	-71.8	167.8	0	0	0	111	M64 G65 V71 R72	M64-I68 HydrophobicContact CG-CD1 4.23Å; M64-I68 WeakPolarHBondContact O-CG1 3.43Å; M64-I68 PolarHBondContact O-N 2.66Å; G65-I68 PolarHBondContact O-N 3.44Å; I68-V71 PolarHBondContact O-N 3.09Å; I68-R72 PolarHBondContact O-N 2.88Å
69	D	41.9	Very low	44.9	Very low	78 Å²	78	100.1 Å²	100.1	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-73.3	-36.1	179.6	-70.7	-19.8	0	0	0	111.8	G65 V71 R72 S73	G65-D69 PolarHBondContact O-N 3.12Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 2.9Å; D69-R72 WeakPolarHBondContact O-CB 3.43Å; D69-R72 PolarHBondContact O-N 3.46Å; D69-R72 VanDerWaalsContact O-N 3.14Å; D69-R72 IonicContact OD1-CZ 3.48Å; D69-R72 IonicContact OD1-NH1 2.77Å; D69-R72 PolarHBondContact OD1-NH1 3.09Å; D69-R72 IonicContact OD1-NH2 3.48Å; D69-R72 PolarHBondContact OD1-NH2 2.64Å; D69-S73 PolarHBondContact O-N 2.85Å; D69-S73 PolarHBondContact O-OG 3.05Å
70	S	51	Low	45	Very low	79 Å²	79	100.9 Å²	100.9	55%	0.552	54%	0.542	S	S	*	.	H	α-helix	trans	-60.2	-41.3	170.3	-176.6	0	0	0	0	112.5	D66 A74	D66-S70 WeakPolarHBondContact O-CB 3.46Å; D66-S70 PolarHBondContact O-N 3.1Å; S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.07Å
71	V	51.1	Low	45	Very low	94 Å²	94	101.2 Å²	101.2	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-67	-36.3	173.5	169.8	0	0	0	0	111.7	L67 I68 D69 A74 A75	L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.33Å; L67-V71 PolarHBondContact O-N 2.72Å; I68-V71 PolarHBondContact O-N 3.09Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 2.9Å; V71-A74 PolarHBondContact O-N 3.21Å; V71-A75 PolarHBondContact O-N 3.19Å
72	R	45.1	Very low	45.1	Very low	129 Å²	129	96.2 Å²	96.2	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-50.1	175.6	-166.9	-178.1	-57.8	124.9	18.3	111.5	I68 D69 A74 A75 E76	I68-R72 PolarHBondContact O-N 2.88Å; D69-R72 WeakPolarHBondContact O-CB 3.43Å; D69-R72 PolarHBondContact O-N 3.46Å; D69-R72 VanDerWaalsContact O-N 3.14Å; D69-R72 IonicContact OD1-CZ 3.48Å; D69-R72 IonicContact OD1-NH1 2.77Å; D69-R72 PolarHBondContact OD1-NH1 3.09Å; D69-R72 IonicContact OD1-NH2 3.48Å; D69-R72 PolarHBondContact OD1-NH2 2.64Å; R72-A74 VanDerWaalsContact C-N 3.31Å; R72-A74 PolarHBondContact O-N 3.5Å; R72-A75 PolarHBondContact O-N 3.23Å; R72-A75 VanDerWaalsContact O-N 3.15Å; R72-E76 PolarHBondContact O-N 2.75Å
73	S	47.4	Very low	45.2	Very low	77 Å²	77	95.1 Å²	95.1	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-34.6	177.8	-63.1	0	0	0	0	112.7	D69 E76 G77	D69-S73 PolarHBondContact O-N 2.85Å; D69-S73 PolarHBondContact O-OG 3.05Å; S73-E76 PolarHBondContact O-N 3.15Å; S73-G77 PolarHBondContact O-N 2.94Å
74	A	43.7	Very low	45.2	Very low	62 Å²	62	90.6 Å²	90.6	51%	0.512	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-43.3	172.2	0	0	0	0	0	112.2	S70 V71 R72 G77 V78	S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.07Å; V71-A74 PolarHBondContact O-N 3.21Å; R72-A74 VanDerWaalsContact C-N 3.31Å; R72-A74 PolarHBondContact O-N 3.5Å; A74-G77 PolarHBondContact O-N 2.67Å; A74-V78 PolarHBondContact O-N 2.63Å
75	A	43	Very low	45.5	Very low	55 Å²	55	88.9 Å²	88.9	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-36.4	177.2	0	0	0	0	0	113	V71 R72 V78 K79	V71-A75 PolarHBondContact O-N 3.19Å; R72-A75 PolarHBondContact O-N 3.23Å; R72-A75 VanDerWaalsContact O-N 3.15Å; A75-V78 PolarHBondContact O-N 3.24Å; A75-K79 PolarHBondContact O-N 3.26Å
76	E	44.5	Very low	45.3	Very low	106 Å²	106	90.1 Å²	90.1	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-38.8	173.7	-70.8	179.9	153.7	0	0	112.2	R72 S73 V78 K79 N80	R72-E76 PolarHBondContact O-N 2.75Å; S73-E76 PolarHBondContact O-N 3.15Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.31Å; E76-K79 PolarHBondContact O-N 3.21Å; E76-N80 WeakPolarHBondContact O-CB 3.42Å; E76-N80 PolarHBondContact O-N 3.22Å; E76-N80 PolarHBondContact O-ND2 2.79Å
77	G	44.1	Very low	45.1	Very low	40 Å²	40	88.5 Å²	88.5	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-55.5	-45.1	172.1	0	0	0	0	0	112.7	S73 A74 N80 H81	S73-G77 PolarHBondContact O-N 2.94Å; A74-G77 PolarHBondContact O-N 2.67Å; G77-N80 PolarHBondContact O-N 3.03Å; G77-H81 WeakPolarHBondContact O-CB 3.17Å; G77-H81 PolarHBondContact O-N 2.91Å
78	V	47.5	Very low	45.3	Very low	103 Å²	103	91.6 Å²	91.6	62%	0.624	52%	0.52	S	S	*	.	H	α-helix	trans	-66.6	-39.7	178.2	175.7	0	0	0	0	112.2	A74 A75 E76 H81 S82	A74-V78 PolarHBondContact O-N 2.63Å; A75-V78 PolarHBondContact O-N 3.24Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.31Å; V78-H81 PolarHBondContact O-N 2.87Å; V78-S82 PolarHBondContact O-N 3.19Å; V78-S82 PolarHBondContact O-OG 3.46Å
79	K	44	Very low	44.8	Very low	155 Å²	155	93 Å²	93	67%	0.674	53%	0.526	S	S	*	.	H	α-helix	trans	-61.4	-44.6	172.3	-81.2	-177.1	174.5	177.2	0	112.2	A75 E76 H81 S82 S83	A75-K79 PolarHBondContact O-N 3.26Å; E76-K79 PolarHBondContact O-N 3.21Å; K79-H81 PolarHBondContact O-N 3.09Å; K79-S82 WeakPolarHBondContact CA-OG 3.27Å; K79-S82 PolarHBondContact O-OG 3.02Å; K79-S83 VanDerWaalsContact O-CB 3.32Å; K79-S83 WeakPolarHBondContact O-CB 3.36Å; K79-S83 PolarHBondContact O-N 3.18Å
80	N	45.8	Very low	44.8	Very low	103 Å²	103	98 Å²	98	55%	0.551	54%	0.544	S	S	*	.	H	α-helix	trans	-67.9	-34.9	178.9	-71.1	-22.1	0	0	0	112.2	E76 G77 N84	E76-N80 WeakPolarHBondContact O-CB 3.42Å; E76-N80 PolarHBondContact O-N 3.22Å; E76-N80 PolarHBondContact O-ND2 2.79Å; G77-N80 PolarHBondContact O-N 3.03Å; N80-N84 PolarHBondContact O-N 3.28Å; N80-N84 PolarHBondContact O-ND2 2.91Å
81	H	42.7	Very low	44.3	Very low	137 Å²	137	103.1 Å²	103.1	63%	0.634	56%	0.556	S	S	*	*	H	α-helix	trans	-71.6	-42.6	178.9	-148	-18.4	0	0	0	112.4	G77 V78 K79 N84 V85	G77-H81 WeakPolarHBondContact O-CB 3.17Å; G77-H81 PolarHBondContact O-N 2.91Å; V78-H81 PolarHBondContact O-N 2.87Å; K79-H81 PolarHBondContact O-N 3.09Å; H81-N84 PolarHBondContact O-N 3.46Å; H81-V85 WeakPolarHBondContact O-CG2 3.33Å; H81-V85 PolarHBondContact O-N 3.06Å; H81-V85 VanDerWaalsContact O-N 3.11Å
82	S	44.8	Very low	43.8	Very low	69 Å²	69	103.2 Å²	103.2	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-38.3	175.4	50.1	0	0	0	0	112.9	V78 K79 N84 V85 A86	V78-S82 PolarHBondContact O-N 3.19Å; V78-S82 PolarHBondContact O-OG 3.46Å; K79-S82 WeakPolarHBondContact CA-OG 3.27Å; K79-S82 PolarHBondContact O-OG 3.02Å; S82-N84 PolarHBondContact O-N 3.17Å; S82-V85 PolarHBondContact O-N 2.9Å; S82-A86 WeakPolarHBondContact O-CB 3.34Å; S82-A86 PolarHBondContact O-N 2.67Å
83	S	45	Very low	44	Very low	66 Å²	66	102.5 Å²	102.5	46%	0.462	56%	0.563	S	S	.	*	H	α-helix	trans	-55.4	-48.9	170.5	179	0	0	0	0	112.1	K79 V85 A86 T87	K79-S83 VanDerWaalsContact O-CB 3.32Å; K79-S83 WeakPolarHBondContact O-CB 3.36Å; K79-S83 PolarHBondContact O-N 3.18Å; S83-V85 PolarHBondContact O-N 3.42Å; S83-A86 PolarHBondContact O-N 2.95Å; S83-T87 PolarHBondContact O-N 3.05Å; S83-T87 PolarHBondContact O-OG1 3.4Å
84	N	44.9	Very low	43.4	Very low	101 Å²	101	106.5 Å²	106.5	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-37.9	179.6	-81.2	-68	0	0	0	113.3	N80 H81 S82 T87 W88	N80-N84 PolarHBondContact O-N 3.28Å; N80-N84 PolarHBondContact O-ND2 2.91Å; H81-N84 PolarHBondContact O-N 3.46Å; S82-N84 PolarHBondContact O-N 3.17Å; N84-T87 WeakPolarHBondContact CA-OG1 3.37Å; N84-T87 PolarHBondContact O-OG1 3.11Å; N84-T87 VanDerWaalsContact O-OG1 3.06Å; N84-W88 WeakPolarHBondContact O-CB 3.44Å; N84-W88 PolarHBondContact O-N 2.94Å
85	V	44.9	Very low	43.4	Very low	75 Å²	75	108.8 Å²	108.8	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-66.8	-39.7	175.1	173.9	0	0	0	0	111.1	H81 S82 S83 W88 M89	H81-V85 WeakPolarHBondContact O-CG2 3.33Å; H81-V85 PolarHBondContact O-N 3.06Å; H81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 2.9Å; S83-V85 PolarHBondContact O-N 3.42Å; V85-W88 PolarHBondContact O-N 2.66Å; V85-M89 PolarHBondContact O-N 2.93Å
86	A	40.5	Very low	42.7	Very low	58 Å²	58	113.1 Å²	113.1	48%	0.479	61%	0.609	S	S	.	*	H	α-helix	trans	-66.9	-38.8	177	0	0	0	0	0	112.8	S82 S83 K90	S82-A86 WeakPolarHBondContact O-CB 3.34Å; S82-A86 PolarHBondContact O-N 2.67Å; S83-A86 PolarHBondContact O-N 2.95Å; A86-K90 WeakPolarHBondContact O-CB 3.03Å; A86-K90 PolarHBondContact O-N 2.75Å
87	T	42.3	Very low	42.2	Very low	77 Å²	77	115.8 Å²	115.8	47%	0.472	63%	0.626	S	S	.	*	H	α-helix	trans	-70.8	-33.7	173.4	49.6	0	0	0	0	112.5	S83 N84 K90 K91	S83-T87 PolarHBondContact O-N 3.05Å; S83-T87 PolarHBondContact O-OG1 3.4Å; N84-T87 WeakPolarHBondContact CA-OG1 3.37Å; N84-T87 PolarHBondContact O-OG1 3.11Å; N84-T87 VanDerWaalsContact O-OG1 3.06Å; T87-K90 PolarHBondContact O-N 3.06Å; T87-K91 PolarHBondContact O-N 3.16Å
88	W	47.4	Very low	41.4	Very low	168 Å²	168	124.7 Å²	124.7	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-63.4	-46.6	173.2	-174	89.8	0	0	0	111.9	N84 V85 K90 K91 N92	N84-W88 WeakPolarHBondContact O-CB 3.44Å; N84-W88 PolarHBondContact O-N 2.94Å; V85-W88 PolarHBondContact O-N 2.66Å; W88-K90 PolarHBondContact O-N 3.01Å; W88-K91 PolarHBondContact O-N 2.81Å; W88-N92 WeakPolarHBondContact CZ2-ND2 3.26Å; W88-N92 PolarHBondContact NE1-ND2 3Å; W88-N92 PolarHBondContact O-N 3Å; W88-N92 PolarHBondContact O-ND2 2.89Å
89	M	39.5	Very low	40.5	Very low	120 Å²	120	126.6 Å²	126.6	59%	0.591	65%	0.654	S	S	*	*	H	α-helix	trans	-61.1	-43.3	173.5	-76.6	-169.2	168.1	0	0	112.3	V85 K91 N92 V93	V85-M89 PolarHBondContact O-N 2.93Å; M89-K91 PolarHBondContact O-N 3.11Å; M89-N92 PolarHBondContact O-N 3.4Å; M89-V93 PolarHBondContact O-N 3.09Å
90	K	40.9	Very low	39.8	Very low	184 Å²	184	126.1 Å²	126.1	80%	0.8	66%	0.657	S	S	*	*	H	α-helix	trans	-64	-23.4	175.5	-90.9	-173.6	171.7	-176.9	0	114.4	A86 T87 W88	A86-K90 WeakPolarHBondContact O-CB 3.03Å; A86-K90 PolarHBondContact O-N 2.75Å; T87-K90 PolarHBondContact O-N 3.06Å; W88-K90 PolarHBondContact O-N 3.01Å
91	K	41.9	Very low	38.9	Very low	187 Å²	187	128.7 Å²	128.7	81%	0.813	67%	0.67	S	S	*	*	H	α-helix	trans	-85.1	-24.4	178.6	-118	-178.4	178.4	-178.4	0	113.9	T87 W88 M89	T87-K91 PolarHBondContact O-N 3.16Å; W88-K91 PolarHBondContact O-N 2.81Å; M89-K91 PolarHBondContact O-N 3.11Å
92	N	40.8	Very low	39.2	Very low	96 Å²	96	127 Å²	127	51%	0.513	67%	0.671	S	S	.	*	H	α-helix	trans	-104.9	-1.4	-170.9	-67.1	-18.7	0	0	0	114.3	W88 M89	W88-N92 WeakPolarHBondContact CZ2-ND2 3.26Å; W88-N92 PolarHBondContact NE1-ND2 3Å; W88-N92 PolarHBondContact O-N 3Å; W88-N92 PolarHBondContact O-ND2 2.89Å; M89-N92 PolarHBondContact O-N 3.4Å
93	V	48	Very low	38.2	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.685	69%	0.688	S	S	*	*			trans	-136.9	107.3	178.6	-172.3	0	0	0	0	111.2	M89	M89-V93 PolarHBondContact O-N 3.09Å
94	N	34.5	Very low	37.3	Very low	161 Å²	161	133.3 Å²	133.3	86%	0.861	70%	0.703	S	S	*	*			trans	-151.4	154.7	151.7	-129.5	12	0	0	0	109.2
95	P	45.4	Very low	36.6	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	71%	0.711	S	S	*	*			trans	-107.4	160.1	-151.7	39.4	-36.8	0	0	0	115.5
96	T	28	Very low	35.7	Very low	146 Å²	146	137.2 Å²	137.2	90%	0.896	73%	0.729	S	S	*	*			trans	-131.3	124.1	159.6	-37.8	0	0	0	0	109.7
97	L	32.7	Very low	35	Very low	163 Å²	163	140 Å²	140	85%	0.853	75%	0.745	S	S	*	*			trans	-133.3	159.6	174.8	-114	178	0	0	0	109.2
98	R	27.5	Very low	35.3	Very low	226 Å²	226	141.7 Å²	141.7	85%	0.853	76%	0.758	S	S	*	*			trans	75.9	113.2	179.7	-58.1	-177.9	169.2	-174.1	-4.2	116.7
99	N	29.4	Very low	34.4	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	77%	0.769	S	S	*	*				-176.7	148.8	109.6	-84.4	-14.6	0	0	0	108.7
100	I	29.2	Very low	33.7	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	78%	0.778	S	S	*	*			cis	-154.8	165.5	-12.3	-120.2	165	0	0	0	108.3
101	L	25.8	Very low	33.1	Very low	157 Å²	157	138 Å²	138	82%	0.822	78%	0.783	S	S	*	*			trans	-109.6	166.7	170.4	-115.4	77.6	0	0	0	109.8
102	P	50.4	Low	33.1	Very low	100 Å²	100	134.8 Å²	134.8	65%	0.649	78%	0.782	S	S	*	*			cis	-133.6	-171.6	-18.6	37	-18	0	0	0	112.3
103	N	22.8	Very low	32.6	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	80%	0.796	S	S	*	*				-170.1	162.2	115.2	-105.5	3.3	0	0	0	112.7
104	S	27.3	Very low	32.5	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	80%	0.796	S	S	*	*			trans	-121.4	153.9	-172.6	54.2	0	0	0	0	112.4
105	S	28.5	Very low	32.1	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	79%	0.787	S	S	*	*			trans	-166.1	134.6	142.1	56.2	0	0	0	0	113.6
106	D	26.1	Very low	31.3	Very low	156 Å²	156	135.6 Å²	135.6	83%	0.834	79%	0.788	S	S	*	*			trans	76.4	146.9	143.5	-52.9	-21.2	0	0	0	123.8
107	S	26.3	Very low	31.5	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	79%	0.785	S	S	*	*			trans	-127.5	-157.3	-175.1	-52.8	0	0	0	0	107.3
108	P	48.5	Very low	31.3	Very low	114 Å²	114	130.9 Å²	130.9	74%	0.74	78%	0.781	S	S	*	*			cis	-139.3	-154.3	-4.9	43.5	-23	0	0	0	114.5
109	S	28	Very low	31.4	Very low	123 Å²	123	124.1 Å²	124.1	86%	0.86	77%	0.773	S	S	*	*			trans	82.6	141.8	169.9	77.1	0	0	0	0	117.8
110	G	26.5	Very low	31.3	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	78%	0.777	S	S	*	*			cis	-179.2	156.2	-6.7	0	0	0	0	0	113.4
111	E	28.4	Very low	31.2	Very low	193 Å²	193	128.7 Å²	128.7	90%	0.902	78%	0.784	S	S	*	*			trans	-84.5	173.5	168.7	-67.4	-166.2	132.3	0	0	111.2
112	P	40.1	Very low	32.4	Very low	121 Å²	121	126.3 Å²	126.3	79%	0.786	78%	0.778	S	S	*	*			cis	-140.4	-162.6	13.8	41.9	-19.9	0	0	0	116.7
113	Q	31.5	Very low	31.2	Very low	172 Å²	172	132.8 Å²	132.8	80%	0.804	79%	0.789	S	S	*	*			trans	-69.7	177.7	165.5	-67.5	-98.3	-20.4	0	0	112.6
114	P	45	Very low	31.6	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	79%	0.787	S	S	*	*			cis	-136.8	-178.2	2.4	43.5	-25.6	0	0	0	117
115	S	27.6	Very low	32.4	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	79%	0.788	S	S	*	*			trans	6.1	137.8	154	59.8	0	0	0	0	123.9
116	T	28.4	Very low	32.6	Very low	120 Å²	120	136.9 Å²	136.9	74%	0.736	78%	0.784	S	S	*	*				162.7	129	104	-63	0	0	0	0	114.7
117	S	30.6	Very low	32.6	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	79%	0.785	S	S	*	*			trans	53	161.7	163.3	80.5	0	0	0	0	119
118	A	29.5	Very low	32.8	Very low	94 Å²	94	138.5 Å²	138.5	78%	0.777	78%	0.782	S	S	*	*			cis	-135	-154.7	3	0	0	0	0	0	109.3
119	A	29.8	Very low	31.8	Very low	83 Å²	83	144.3 Å²	144.3	69%	0.686	79%	0.79	S	S	*	*			cis	-158.5	-178.6	4.8	0	0	0	0	0	112.1
120	D	27.5	Very low	31.9	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	78%	0.784	S	S	*	*			trans	64.3	143.1	155.6	-66.3	-8.5	0	0	0	124.4
121	Y	27.4	Very low	31.9	Very low	229 Å²	229	146.2 Å²	146.2	90%	0.898	78%	0.779	S	S	*	*			trans	-131.8	-177.1	-168.1	-89.4	-86	0	0	0	108.4
122	P	49.7	Very low	32.2	Very low	107 Å²	107	144.1 Å²	144.1	70%	0.695	77%	0.774	S	S	*	*			cis	-123.2	-165.8	6.4	38.7	-17.7	0	0	0	112.2
123	R	25.5	Very low	31.6	Very low	237 Å²	237	144.5 Å²	144.5	89%	0.894	77%	0.769	S	S	*	*			cis	-161.2	158.2	27.5	-148.9	174.7	-164.7	166.3	4.5	112.3
124	R	32	Very low	31.5	Very low	211 Å²	211	144.7 Å²	144.7	80%	0.796	77%	0.77	S	S	*	*			trans	-125.1	176.1	170.8	-112.4	-175.8	-166.5	-162.1	6.3	107.8
125	P	43.8	Very low	30.7	Very low	121 Å²	121	145.1 Å²	145.1	79%	0.786	77%	0.771	S	S	*	*			cis	-152.2	-163.6	45.7	44.3	-21.2	0	0	0	117.4
126	I	32.9	Very low	30.7	Very low	124 Å²	124	149.6 Å²	149.6	64%	0.636	78%	0.778	S	S	*	*			trans	-106.6	157.4	-178.8	-61.7	150.5	0	0	0	109.3
127	V	26.4	Very low	30.7	Very low	140 Å²	140	148.4 Å²	148.4	85%	0.848	78%	0.781	S	S	*	*			trans	-134.4	144.1	156.9	-179.5	0	0	0	0	110.4
128	H	30	Very low	30.8	Very low	165 Å²	165	147.2 Å²	147.2	76%	0.764	78%	0.778	S	S	*	*			trans	-128.3	143.5	177.5	-138.4	-66.1	0	0	0	107.9
129	R	27.6	Very low	31.3	Very low	237 Å²	237	148.4 Å²	148.4	89%	0.894	78%	0.778	S	S	*	*			trans	-156.8	153.4	162.3	-143.8	171.9	-175.5	170.6	1.3	112.9
130	N	29.3	Very low	31.1	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	78%	0.778	S	S	*	*			trans	-104.8	163.8	178.6	-51.4	-17.5	0	0	0	110.4
131	S	26.9	Very low	31.2	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	78%	0.775	S	S	*	*				151.3	116.7	123.6	-175.1	0	0	0	0	114.7
132	L	34	Very low	31.2	Very low	150 Å²	150	143.4 Å²	143.4	79%	0.785	77%	0.766	S	S	*	*			trans	63	157	154.3	-62.2	171.9	0	0	0	117.8
133	D	29.1	Very low	30.2	Very low	128 Å²	128	145 Å²	145	68%	0.684	77%	0.768	S	S	*	*			cis	-148.6	-174.2	10.5	-142.5	-33.5	0	0	0	113.5
134	E	28.7	Very low	30.3	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	76%	0.759	S	S	*	*			trans	80.7	75.1	162.4	-63.2	-166.7	157.7	0	0	121.9
135	T	29	Very low	30	Very low	115 Å²	115	140.1 Å²	140.1	71%	0.706	76%	0.756	S	S	*	*				60.7	107	101.5	-58.1	0	0	0	0	123.3
136	F	26.8	Very low	29.1	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.842	76%	0.761	S	S	*	*			trans	73.2	112.7	137.9	-82.6	-116.9	0	0	0	124.8
137	A	28.1	Very low	29	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	77%	0.765	S	S	*	*				45.8	141.2	113.4	0	0	0	0	0	124.1
138	A	32.5	Very low	29.7	Very low	93 Å²	93	143 Å²	143	77%	0.769	76%	0.763	S	S	*	*			trans	-91.9	166.6	164.6	0	0	0	0	0	112.4
139	P	39.4	Very low	29.7	Very low	118 Å²	118	144.3 Å²	144.3	77%	0.766	77%	0.767	S	S	*	*				-153.7	150.6	99.7	38.8	-20.8	0	0	0	118.9
140	S	27.3	Very low	29.8	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	76%	0.755	S	S	*	*			trans	28.2	155.5	134.4	-47.1	0	0	0	0	126
141	T	28	Very low	29.7	Very low	126 Å²	126	137.3 Å²	137.3	77%	0.773	75%	0.751	S	S	*	*			trans	87.3	148.9	154.8	76.6	0	0	0	0	118.4
142	I	28	Very low	29.7	Very low	138 Å²	138	143.7 Å²	143.7	71%	0.708	76%	0.76	S	S	*	*			cis	-165.1	146.5	-8.9	-115.5	172.1	0	0	0	113.1
143	L	28.8	Very low	29.5	Very low	139 Å²	139	143.2 Å²	143.2	73%	0.728	76%	0.758	S	S	*	*			trans	56.3	167.3	156.6	-84.8	59.5	0	0	0	120.3
144	E	27.5	Very low	29.4	Very low	149 Å²	149	147.6 Å²	147.6	70%	0.696	76%	0.764	S	S	*	*			cis	-152.8	-175.6	1.9	-131.9	-175.9	-176.2	0	0	116.3
145	W	26.5	Very low	29.4	Very low	197 Å²	197	145 Å²	145	75%	0.746	76%	0.756	S	S	*	*			trans	-34.5	153.5	-171.6	-54.5	98.6	0	0	0	124.3
146	K	24.1	Very low	29.3	Very low	205 Å²	205	145.7 Å²	145.7	89%	0.891	76%	0.756	S	S	*	*				-168.1	155.9	104.4	-104	168.7	-175.5	173.6	0	115.6
147	T	31.3	Very low	29.5	Very low	116 Å²	116	146.3 Å²	146.3	71%	0.712	75%	0.752	S	S	*	*			trans	-126.5	170.4	171.1	56.1	0	0	0	0	110.6
148	P	41.3	Very low	29.4	Very low	126 Å²	126	149.5 Å²	149.5	82%	0.818	75%	0.753	S	S	*	*				-144.5	-174.1	111.2	38.3	-22.7	0	0	0	115.4
149	K	28.6	Very low	29.2	Very low	191 Å²	191	152.2 Å²	152.2	83%	0.83	75%	0.753	S	S	*	*			trans	-90.5	-170.8	-178.5	-59.7	179.1	178	-179.8	0	111.7
150	T	30.7	Very low	28.7	Very low	107 Å²	107	155.1 Å²	155.1	66%	0.656	76%	0.759	S	S	*	*			cis	-162.8	151.2	28	23.5	0	0	0	0	113.3
151	D	28	Very low	28.7	Very low	124 Å²	124	154.4 Å²	154.4	66%	0.663	77%	0.767	S	S	*	*			trans	42.4	137.8	135.1	-44.8	-26.9	0	0	0	121.5
152	W	26	Very low	29	Very low	233 Å²	233	153.7 Å²	153.7	88%	0.883	77%	0.767	S	S	*	*				-162.4	177.8	75.4	-102.6	89.2	0	0	0	115.2
153	L	29.1	Very low	29.2	Very low	140 Å²	140	156.7 Å²	156.7	73%	0.733	78%	0.775	S	S	*	*			trans	-106.3	164.7	-171.7	-57	100.6	0	0	0	115.6
154	R	27.1	Very low	29.3	Very low	219 Å²	219	156.2 Å²	156.2	83%	0.826	78%	0.778	S	S	*	*			trans	126.6	150.5	130.7	-164.5	174.2	-75.7	-104	3.5	116.2
155	N	28.8	Very low	29.3	Very low	121 Å²	121	154.8 Å²	154.8	65%	0.647	78%	0.783	S	S	*	*			trans	-30.6	173.8	174.4	-37.2	-1	0	0	0	118.3
156	D	26.7	Very low	29.3	Very low	131 Å²	131	156.1 Å²	156.1	70%	0.701	79%	0.788	S	S	*	*			cis	-163.5	-163.8	34	-137.1	-59	0	0	0	116.1
157	R	30.9	Very low	29.5	Very low	204 Å²	204	155.9 Å²	155.9	77%	0.77	78%	0.781	S	S	*	*			trans	-75.4	146.7	-165.2	-78.2	168.8	168.6	-157.7	-0.5	119.3
158	M	27	Very low	29.3	Very low	163 Å²	163	158 Å²	158	80%	0.803	78%	0.783	S	S	*	*			trans	68.8	173.5	133	-65.6	174.6	88.2	0	0	121.6
159	I	28.9	Very low	28.6	Very low	150 Å²	150	158.8 Å²	158.8	77%	0.769	79%	0.785	S	S	*	*			trans	90.1	81.2	165.4	-46.4	-174.5	0	0	0	117.7
160	M	28.4	Very low	28.6	Very low	179 Å²	179	154.7 Å²	154.7	88%	0.882	78%	0.779	S	S	*	*				33.1	116.3	114.5	-175.2	178.9	70.2	0	0	119.2
161	G	27.1	Very low	28.4	Very low	84 Å²	84	158 Å²	158	87%	0.866	79%	0.789	S	S	*	*			trans	-170.9	105.4	165.7	0	0	0	0	0	114.8
162	S	33.7	Very low	28.7	Very low	112 Å²	112	157.3 Å²	157.3	78%	0.783	80%	0.795	S	S	*	*			trans	-107.8	125.8	-178.7	177.4	0	0	0	0	113.1
163	K	33.3	Very low	29.6	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	79%	0.791	S	S	*	*			trans	-150.2	114.1	156.2	-64.1	-167.9	-178.8	175.6	0	108
164	V	29.9	Very low	29.7	Very low	129 Å²	129	149.6 Å²	149.6	78%	0.782	79%	0.79	S	S	*	*				73.7	85.7	75.6	-179.6	0	0	0	0	114.6
165	C	28.8	Very low	30	Very low	118 Å²	118	147.1 Å²	147.1	80%	0.797	79%	0.788	S	S	*	*			trans	30.1	122.6	134.3	-169.5	0	0	0	0	121.5
166	R	26.3	Very low	30.1	Very low	226 Å²	226	151 Å²	151	85%	0.853	79%	0.793	S	S	*	*				-162.9	154.8	121.1	-116.9	178	-179.6	-176	1.3	115.4
167	R	28.5	Very low	30.2	Very low	200 Å²	200	151.1 Å²	151.1	76%	0.755	79%	0.789	S	S	*	*			trans	2.6	129.2	159.3	-77.8	-170.6	161	148.8	-0.3	119.4
168	Q	27.3	Very low	30.5	Very low	159 Å²	159	147.5 Å²	147.5	74%	0.743	79%	0.79	S	S	*	*				86.5	116.2	54.6	178.8	-168.4	14.7	0	0	113.6
169	V	25.8	Very low	31.9	Very low	143 Å²	143	145 Å²	145	87%	0.867	79%	0.786	S	S	*	*			trans	-173.8	147.4	140.7	142	0	0	0	0	108.2
170	C	27.9	Very low	32.2	Very low	106 Å²	106	146.7 Å²	146.7	72%	0.716	79%	0.788	S	S	*	*			trans	-94.3	156	178.8	-54	0	0	0	0	112
171	M	27.3	Very low	32.9	Very low	175 Å²	175	143.5 Å²	143.5	86%	0.862	78%	0.778	S	S	*	*			trans	-158.4	147.2	137.9	-94.2	-50.2	101.3	0	0	111.3
172	S	34.8	Very low	33.2	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	77%	0.774	S	S	*	*			trans	-138.5	153.8	165.6	-55	0	0	0	0	107
173	P	44.4	Very low	33	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	77%	0.766	S	S	*	*				-157.4	-175.7	105.8	40	-21.6	0	0	0	116.1
174	A	31	Very low	33.1	Very low	87 Å²	87	142.4 Å²	142.4	72%	0.719	76%	0.762	S	S	*	*			trans	78.1	141.1	145.8	0	0	0	0	0	119.8
175	H	33.6	Very low	33.2	Very low	168 Å²	168	140.6 Å²	140.6	78%	0.778	76%	0.755	S	S	*	*			cis	-165.8	178.6	-17.5	-138.5	-99.2	0	0	0	111.6
176	R	30.9	Very low	33.5	Very low	201 Å²	201	141.5 Å²	141.5	76%	0.758	76%	0.756	S	S	*	*			trans	78.1	141.7	160.8	-73.4	-159.3	147.4	147.1	-3.3	119.9
177	E	28.4	Very low	33.6	Very low	134 Å²	134	133.9 Å²	133.9	63%	0.626	75%	0.749	S	S	*	*			cis	-155.4	164	-22.5	-144.2	152.8	-119.8	0	0	111.9
178	V	36.7	Very low	33.7	Very low	128 Å²	128	131 Å²	131	78%	0.776	75%	0.753	S	S	*	*			trans	-151.9	146.9	-172	-104.6	0	0	0	0	110.6
179	P	56	Low	34	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	76%	0.759	S	S	*	*				-127	-165.1	87.1	25.4	-5.1	0	0	0	110.6
180	K	35.4	Very low	34.8	Very low	185 Å²	185	133.8 Å²	133.8	80%	0.804	76%	0.758	S	S	*	*			cis	-154.7	170.7	25.3	-70.7	-179.7	179.8	-179.6	0	108.5
181	T	43.6	Very low	35	Very low	111 Å²	111	132.8 Å²	132.8	68%	0.681	76%	0.757	S	S	*	*			cis	-177.2	140.6	-26.2	39	0	0	0	0	103.6
182	N	33.7	Very low	35.3	Very low	144 Å²	144	131.5 Å²	131.5	77%	0.77	75%	0.752	S	S	*	*			cis	-154.2	173.2	-0.9	-87.8	-11.2	0	0	0	106.9
183	G	29.8	Very low	34.9	Very low	61 Å²	61	135.1 Å²	135.1	63%	0.629	76%	0.756	S	S	*	*			cis	138.2	147	-2.9	0	0	0	0	0	112.7
184	H	35.3	Very low	34.3	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.787	75%	0.754	S	S	*	*			trans	75.4	137.1	166.9	-56.1	-53	0	0	0	119.6
185	S	32.6	Very low	34.1	Very low	90 Å²	90	140.2 Å²	140.2	63%	0.629	76%	0.76	S	S	*	*			cis	-164.3	143.3	-10.4	-101.1	0	0	0	0	113.2
186	V	33.3	Very low	33.8	Very low	137 Å²	137	139.6 Å²	139.6	83%	0.83	76%	0.762	S	S	*	*			trans	50.8	133	140.9	-176.4	0	0	0	0	120.6
187	G	29	Very low	34	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	76%	0.764	S	S	*	*			cis	159.7	-176.6	-9.6	0	0	0	0	0	116.7
188	V	30.5	Very low	34.7	Very low	138 Å²	138	137.8 Å²	137.8	84%	0.836	77%	0.773	S	S	*	*			trans	75	119.2	156.4	-171.4	0	0	0	0	119.6
189	R	33.5	Very low	34.7	Very low	232 Å²	232	136.4 Å²	136.4	88%	0.875	77%	0.768	S	S	*	*			trans	-102.9	166.8	154.3	-62.4	174.6	175.5	156	-4.1	108.7
190	P	43	Very low	34.3	Very low	130 Å²	130	136 Å²	136	84%	0.844	77%	0.765	S	S	*	*				-137.8	-166.8	101.7	38.1	-26	0	0	0	112.8
191	A	32.2	Very low	34.2	Very low	85 Å²	85	137.5 Å²	137.5	70%	0.702	77%	0.766	S	S	*	*			trans	-147.6	175	-168.2	0	0	0	0	0	113.2
192	I	34.6	Very low	33.7	Very low	147 Å²	147	140.1 Å²	140.1	75%	0.754	78%	0.775	S	S	*	*			trans	74.6	118.5	164.3	-58.3	160.5	0	0	0	116.1
193	H	25.6	Very low	33.4	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.866	77%	0.772	S	S	*	*				-157.5	146	120.6	-111.3	-72.8	0	0	0	111.4
194	T	31.1	Very low	33.4	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	79%	0.785	S	S	*	*			trans	-111.7	146.8	177.9	45.8	0	0	0	0	111.2
195	K	27.9	Very low	34.6	Very low	194 Å²	194	141.6 Å²	141.6	84%	0.843	78%	0.777	S	S	*	*			trans	-171.8	131.2	147.7	-109.6	168.7	-174.9	-179.3	0	114.1
196	L	27.6	Very low	34.5	Very low	155 Å²	155	145.1 Å²	145.1	81%	0.812	79%	0.788	S	S	*	*			trans	46.8	125.5	140.8	-66.1	166.1	0	0	0	122.7
197	H	34.8	Very low	34.3	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.806	78%	0.78	S	S	*	*			trans	-27.8	152.3	145.8	-92.7	-57.1	0	0	0	116.8
198	P	43.6	Very low	34.3	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	79%	0.787	S	S	*	*				-140.7	167.9	70.3	40.5	-24.9	0	0	0	117.6
199	S	35.3	Very low	34.1	Very low	98 Å²	98	151.8 Å²	151.8	69%	0.685	79%	0.788	S	S	*	*			trans	-95.2	161.9	158.5	62.1	0	0	0	0	109.5
200	P	47.8	Very low	35.4	Very low	103 Å²	103	144.7 Å²	144.7	67%	0.669	77%	0.772	S	S	*	*				-158	157.5	94.1	39.7	-20.3	0	0	0	118.7
201	R	33.8	Very low	34.9	Very low	217 Å²	217	147.2 Å²	147.2	82%	0.819	77%	0.772	S	S	*	*			trans	65.3	131.2	136.4	-71.9	169.3	-166.2	-134.2	1.7	123.5
202	L	33.3	Very low	34.7	Very low	167 Å²	167	146 Å²	146	87%	0.874	77%	0.768	S	S	*	*			trans	60.9	140.5	134.4	-56.4	166.6	0	0	0	120.1
203	G	26.6	Very low	34.6	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	77%	0.774	S	S	*	*			cis	152.3	134.4	-13.7	0	0	0	0	0	115.3
204	R	31	Very low	34.8	Very low	243 Å²	243	143.8 Å²	143.8	92%	0.917	77%	0.769	S	S	*	*			trans	66	170	170.3	-86.5	-168.8	171.5	-159.2	-1.1	116.9
205	P	59	Low	34.8	Very low	95 Å²	95	142.7 Å²	142.7	62%	0.617	77%	0.766	S	S	*	*			cis	-139.5	-167.6	-41.3	38.5	-19.8	0	0	0	114.1
206	L	30.9	Very low	35.1	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	77%	0.767	S	S	*	*			trans	74.4	159.3	161.7	-60.5	163.4	0	0	0	117.7
207	S	29.5	Very low	35.3	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	76%	0.76	S	S	*	*			cis	-169.6	169	-33.1	-162.2	0	0	0	0	111.2
208	L	28.9	Very low	35.1	Very low	159 Å²	159	134 Å²	134	83%	0.832	76%	0.761	S	S	*	*			trans	67.2	112.4	158.4	-71.3	156.7	0	0	0	122.8
209	R	26.4	Very low	34.6	Very low	229 Å²	229	135.3 Å²	135.3	86%	0.864	77%	0.766	S	S	*	*				-2.5	171.3	121.8	-94.9	-165.5	163	-165	-2	120.2
210	P	60.1	Low	34.4	Very low	83 Å²	83	133.6 Å²	133.6	54%	0.539	76%	0.764	S	S	.	*			cis	-145	-153.9	-23.5	38.6	-15.9	0	0	0	115.1
211	H	32.5	Very low	33.6	Very low	183 Å²	183	135.3 Å²	135.3	85%	0.847	77%	0.773	S	S	*	*			trans	91.1	137.7	168	-53	-76	0	0	0	117.4
212	G	29.1	Very low	33.6	Very low	60 Å²	60	129.9 Å²	129.9	62%	0.619	77%	0.774	S	S	*	*			cis	165.7	158.5	-13.7	0	0	0	0	0	115.4
213	T	31.5	Very low	33.5	Very low	141 Å²	141	127.1 Å²	127.1	87%	0.865	77%	0.769	S	S	*	*			trans	64.8	157.4	162.9	41.7	0	0	0	0	118.5
214	L	30.8	Very low	33.7	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	78%	0.776	S	S	*	*			cis	-158.2	160.4	6.7	-130.7	164.4	0	0	0	111.5
215	S	30.5	Very low	33.6	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	77%	0.768	S	S	*	*			trans	65.7	164.5	155.5	63.2	0	0	0	0	118.4
216	L	34.8	Very low	32.2	Very low	164 Å²	164	123.6 Å²	123.6	86%	0.859	77%	0.772	S	S	*	*			cis	-165.3	175.7	-25.3	-103.5	176.1	0	0	0	107
217	S	31.9	Very low	32.1	Very low	97 Å²	97	122.2 Å²	122.2	68%	0.678	77%	0.766	S	S	*	*			cis	-160.6	146.3	-1.6	41.8	0	0	0	0	110.9
218	G	30.5	Very low	32	Very low	79 Å²	79	124.1 Å²	124.1	81%	0.814	76%	0.764	S	S	*	*			trans	79.7	-179.3	163.7	0	0	0	0	0	115.8
219	V	32.2	Very low	32	Very low	152 Å²	152	123.4 Å²	123.4	92%	0.921	76%	0.758	S	S	*	*			cis	-135.7	173.8	-5.2	-171.6	0	0	0	0	108.8
220	G	31.4	Very low	32.1	Very low	62 Å²	62	122.7 Å²	122.7	64%	0.639	76%	0.757	S	S	*	*			trans	-75.8	179.2	-177.2	0	0	0	0	0	117.2
221	T	31.9	Very low	30.5	Very low	140 Å²	140	125.7 Å²	125.7	86%	0.859	76%	0.764	S	S	*	*			cis	-148.6	151.8	26.6	44.8	0	0	0	0	116
222	A	33.5	Very low	30.3	Very low	102 Å²	102	124.5 Å²	124.5	84%	0.843	76%	0.756	S	S	*	*			trans	61.7	143.4	148.1	0	0	0	0	0	120.4
223	S	30.2	Very low	30.4	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	77%	0.765	S	S	*	*			cis	-159.5	163.5	-2.8	62.8	0	0	0	0	112.4
224	S	32.3	Very low	30.4	Very low	119 Å²	119	130.5 Å²	130.5	83%	0.832	77%	0.765	S	S	*	*			trans	67.7	128.3	157	-155	0	0	0	0	118.3
225	S	28.3	Very low	30.7	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	77%	0.768	S	S	*	*			cis	-152.9	170.6	-9.3	-162.7	0	0	0	0	111.5
226	C	29.8	Very low	30.7	Very low	105 Å²	105	132 Å²	132	71%	0.709	77%	0.771	S	S	*	*			trans	-86.7	-173.5	175.6	62.9	0	0	0	0	111.7
227	N	28.8	Very low	30.3	Very low	134 Å²	134	134 Å²	134	72%	0.717	77%	0.773	S	S	*	*			cis	-162.2	176.1	0.5	-136.9	-1.8	0	0	0	107.2
228	H	26.7	Very low	30.1	Very low	136 Å²	136	134.9 Å²	134.9	63%	0.63	77%	0.774	S	S	*	*			cis	-152.7	-168.6	-4.4	-163.3	52	0	0	0	109.7
229	M	28.7	Very low	29.9	Very low	144 Å²	144	137.4 Å²	137.4	71%	0.709	77%	0.773	S	S	*	*			trans	-96	166.1	173.6	-42.6	-177.4	-56.2	0	0	113.4
230	Y	28.8	Very low	29.6	Very low	213 Å²	213	138.8 Å²	138.8	84%	0.835	77%	0.77	S	S	*	*				-155.5	176.5	118.2	-124.1	-89	0	0	0	111.6
231	E	27.1	Very low	29.3	Very low	147 Å²	147	140.8 Å²	140.8	69%	0.687	77%	0.774	S	S	*	*			trans	-134.7	159.5	-150.5	-170.1	-163.3	-137.7	0	0	113.3
232	K	28.7	Very low	29.3	Very low	158 Å²	158	140.2 Å²	140.2	69%	0.687	77%	0.772	S	S	*	*			trans	120.5	108.3	147.4	-63.8	175.8	-170.4	177.9	0	119.4
233	T	29.7	Very low	29	Very low	131 Å²	131	141 Å²	141	80%	0.804	77%	0.767	S	S	*	*				68.7	129.5	120.8	-46	0	0	0	0	121.8
234	F	32.8	Very low	28.9	Very low	195 Å²	195	145 Å²	145	86%	0.855	77%	0.773	S	S	*	*			trans	-69	164	172.9	-62.1	-91	0	0	0	114.7
235	P	36.2	Very low	28.6	Very low	128 Å²	128	144 Å²	144	83%	0.831	77%	0.766	S	S	*	*				-135.4	167	120.5	38.8	-30.4	0	0	0	115
236	I	29.9	Very low	28.5	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	77%	0.771	S	S	*	*			trans	-83.7	145.6	-178.9	-63.1	163.7	0	0	0	111.6	V238	I236-V238 HydrophobicContact CG2-CG2 4.02Å
237	K	27.8	Very low	28.2	Very low	206 Å²	206	146.2 Å²	146.2	90%	0.896	78%	0.777	S	S	*	*			trans	-134.5	164	152.2	-81.4	-164.8	174.7	-177.5	0	111.1
238	V	26.2	Very low	28.2	Very low	115 Å²	115	145.4 Å²	145.4	70%	0.697	78%	0.782	S	S	*	*			trans	-136	164.5	-162.4	-165.7	0	0	0	0	109.6	I236	I236-V238 HydrophobicContact CG2-CG2 4.02Å
239	V	25.9	Very low	28.2	Very low	133 Å²	133	143.8 Å²	143.8	81%	0.806	79%	0.786	S	S	*	*			trans	64.9	151	168.9	-98.9	0	0	0	0	116.3
240	Q	27	Very low	28.4	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	80%	0.795	S	S	*	*			cis	-132.6	159.1	7.8	-65.6	-178.1	-37.3	0	0	113.2
241	S	25.8	Very low	28.4	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	80%	0.795	S	S	*	*			trans	-88.4	164.7	160.2	-38.7	0	0	0	0	111.1
242	P	30.5	Very low	28.5	Very low	127 Å²	127	146.4 Å²	146.4	83%	0.825	80%	0.804	S	S	*	*			trans	-119.5	131.8	137.7	-0.1	20.7	0	0	0	112.3
243	T	27.9	Very low	28.5	Very low	118 Å²	118	149 Å²	149	72%	0.724	82%	0.815	S	S	*	*			trans	-103.4	135.5	171.6	49.5	0	0	0	0	110.4
244	H	28	Very low	28.4	Very low	193 Å²	193	147 Å²	147	89%	0.894	81%	0.812	S	S	*	*			trans	-138.2	157.3	154.3	-84.7	-70.7	0	0	0	110.7
245	S	25.6	Very low	28.3	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	80%	0.797	S	S	*	*			trans	-115.9	144.6	-149.2	-49	0	0	0	0	114.2
246	T	26.4	Very low	28.3	Very low	140 Å²	140	140.5 Å²	140.5	86%	0.859	80%	0.798	S	S	*	*			trans	45.9	108.7	143.9	55.8	0	0	0	0	119.5
247	S	23.1	Very low	28.4	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	80%	0.8	S	S	*	*			trans	-143	145.5	137.7	66	0	0	0	0	110.1
248	S	30.2	Very low	28.8	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	79%	0.787	S	S	*	*			trans	-99.9	124.3	-176.7	171.3	0	0	0	0	110.8
249	S	26.4	Very low	29.9	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	78%	0.775	S	S	*	*			trans	-142.2	114	159.5	53.6	0	0	0	0	110.3
250	R	33.4	Very low	30.4	Very low	236 Å²	236	131.3 Å²	131.3	89%	0.891	77%	0.766	S	S	*	*			trans	-82.4	118.9	166.7	-68.3	-176.6	-179	-173.4	0.5	108
251	L	28.5	Very low	30.8	Very low	160 Å²	160	128.5 Å²	128.5	84%	0.838	75%	0.752	S	S	*	*			trans	-124	129.7	164.2	-79.9	170.5	0	0	0	109	K253	L251-K253 PolarHBondContact O-N 3.38Å
252	N	28.4	Very low	31.4	Very low	163 Å²	163	128.5 Å²	128.5	87%	0.872	74%	0.741	S	S	*	*			trans	-75.3	120.5	-174.2	-61.6	-34	0	0	0	109.9	A254	N252-A254 PolarHBondContact O-N 3.39Å
253	K	28.1	Very low	32.2	Very low	211 Å²	211	125.2 Å²	125.2	92%	0.917	72%	0.721	S	S	*	*			trans	-81.4	109.9	159	-83.4	-168.5	171.4	-174.4	0	108.8	L251	L251-K253 PolarHBondContact O-N 3.38Å
254	A	27.4	Very low	32.9	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-61.6	139.6	164	0	0	0	0	0	109.6	N252	N252-A254 PolarHBondContact O-N 3.39Å
255	G	32.1	Very low	33.6	Very low	52 Å²	52	120 Å²	120	54%	0.536	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-77.2	155.2	169.3	0	0	0	0	0	111	H257	G255-H257 PolarHBondContact O-N 2.91Å
256	P	36.1	Very low	34.6	Very low	134 Å²	134	121.5 Å²	121.5	87%	0.87	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-66.4	123	175.6	27.8	-33.5	0	0	0	110.5	C258	P256-C258 PolarHBondContact O-N 2.86Å
257	H	31.4	Very low	35.8	Very low	173 Å²	173	119.9 Å²	119.9	80%	0.801	66%	0.664	S	S	*	*			trans	-74.9	92.3	172.8	-73.4	-88.8	0	0	0	110.1	G255 T259	G255-H257 PolarHBondContact O-N 2.91Å; H257-T259 PolarHBondContact O-N 2.96Å
258	C	35.4	Very low	37.3	Very low	91 Å²	91	119.8 Å²	119.8	62%	0.615	65%	0.65	S	S	*	*			trans	-62.9	123.8	163.3	-179.1	0	0	0	0	108.7	P256	P256-C258 PolarHBondContact O-N 2.86Å
259	T	49.3	Very low	38.4	Very low	74 Å²	74	120.3 Å²	120.3	45%	0.454	64%	0.638	S	S	.	*			trans	-89.4	148.2	-179.1	66.1	0	0	0	0	110.5	H257 Q261 E262 S263	H257-T259 PolarHBondContact O-N 2.96Å; T259-Q261 PolarHBondContact O-N 2.9Å; T259-Q261 VanDerWaalsContact O-N 3.08Å; T259-E262 WeakPolarHBondContact O-CA 3.31Å; T259-E262 WeakPolarHBondContact O-CB 3.37Å; T259-E262 PolarHBondContact O-N 3.06Å; T259-S263 PolarHBondContact O-N 3.42Å
260	A	37.8	Very low	40	Very low	73 Å²	73	118.8 Å²	118.8	60%	0.603	62%	0.619	S	S	*	*	H	α-helix	trans	-57.8	-28.5	-180	0	0	0	0	0	113.1	E262 S263 I264	A260-E262 VanDerWaalsContact C-N 3.29Å; A260-E262 PolarHBondContact O-N 2.7Å; A260-S263 WeakPolarHBondContact CA-OG 3.34Å; A260-S263 PolarHBondContact O-OG 3.21Å; A260-I264 WeakPolarHBondContact O-CB 3.35Å; A260-I264 WeakPolarHBondContact O-CD1 3.35Å; A260-I264 WeakPolarHBondContact O-CG1 3.24Å; A260-I264 PolarHBondContact O-N 3.48Å; A260-I264 VanDerWaalsContact O-N 3.08Å
261	Q	35.9	Very low	41.7	Very low	121 Å²	121	111.8 Å²	111.8	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-70.4	-24.3	175.7	-166.2	175.4	23.3	0	0	113	T259 R265	T259-Q261 PolarHBondContact O-N 2.9Å; T259-Q261 VanDerWaalsContact O-N 3.08Å; Q261-R265 WeakPolarHBondContact O-CD 3.37Å; Q261-R265 VanDerWaalsContact O-CG 3.23Å; Q261-R265 WeakPolarHBondContact O-CG 3.23Å; Q261-R265 PolarHBondContact O-N 3.11Å
262	E	38.4	Very low	42.6	Very low	105 Å²	105	112 Å²	112	49%	0.491	59%	0.589	S	S	.	*	H	α-helix	trans	-80.7	-45.8	177.3	-163.2	152.8	-135.8	0	0	110.8	T259 A260 I264 R265 E266	T259-E262 WeakPolarHBondContact O-CA 3.31Å; T259-E262 WeakPolarHBondContact O-CB 3.37Å; T259-E262 PolarHBondContact O-N 3.06Å; A260-E262 VanDerWaalsContact C-N 3.29Å; A260-E262 PolarHBondContact O-N 2.7Å; E262-I264 VanDerWaalsContact C-N 3.34Å; E262-I264 PolarHBondContact O-N 2.87Å; E262-R265 PolarHBondContact O-N 3.35Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-E266 PolarHBondContact O-N 3.48Å
263	S	45.8	Very low	44.3	Very low	58 Å²	58	110.7 Å²	110.7	41%	0.406	57%	0.572	S	S	.	*	H	α-helix	trans	-60.7	-39.4	172.8	53	0	0	0	0	113	T259 A260 R265 E266 E267	T259-S263 PolarHBondContact O-N 3.42Å; A260-S263 WeakPolarHBondContact CA-OG 3.34Å; A260-S263 PolarHBondContact O-OG 3.21Å; S263-R265 VanDerWaalsContact C-N 3.35Å; S263-R265 PolarHBondContact O-N 2.84Å; S263-E266 PolarHBondContact O-N 2.84Å; S263-E267 WeakPolarHBondContact O-CB 3.33Å; S263-E267 PolarHBondContact O-N 3.36Å
264	I	42.3	Very low	45.6	Very low	73 Å²	73	105.6 Å²	105.6	37%	0.374	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-42.1	174.8	-71.6	165.1	0	0	0	110.8	A260 E262 E266 E267 E268	A260-I264 WeakPolarHBondContact O-CB 3.35Å; A260-I264 WeakPolarHBondContact O-CD1 3.35Å; A260-I264 WeakPolarHBondContact O-CG1 3.24Å; A260-I264 PolarHBondContact O-N 3.48Å; A260-I264 VanDerWaalsContact O-N 3.08Å; E262-I264 VanDerWaalsContact C-N 3.34Å; E262-I264 PolarHBondContact O-N 2.87Å; I264-E266 VanDerWaalsContact C-N 3.26Å; I264-E266 PolarHBondContact O-N 3.23Å; I264-E267 PolarHBondContact O-N 2.77Å; I264-E268 HydrophobicContact CG2-CG 4.31Å; I264-E268 WeakPolarHBondContact O-CB 3.43Å; I264-E268 WeakPolarHBondContact O-CG 3.48Å; I264-E268 PolarHBondContact O-N 3.32Å
265	R	43.3	Very low	46.9	Very low	129 Å²	129	105.5 Å²	105.5	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-23.4	177.2	-76.7	169.3	174.8	158.5	-0.8	113.4	Q261 E262 S263 K269	Q261-R265 WeakPolarHBondContact O-CD 3.37Å; Q261-R265 VanDerWaalsContact O-CG 3.23Å; Q261-R265 WeakPolarHBondContact O-CG 3.23Å; Q261-R265 PolarHBondContact O-N 3.11Å; E262-R265 PolarHBondContact O-N 3.35Å; E262-R265 VanDerWaalsContact O-N 3.14Å; S263-R265 VanDerWaalsContact C-N 3.35Å; S263-R265 PolarHBondContact O-N 2.84Å; R265-K269 WeakPolarHBondContact O-CD 3.32Å; R265-K269 VanDerWaalsContact O-CE 3.29Å; R265-K269 WeakPolarHBondContact O-CE 3.24Å; R265-K269 WeakPolarHBondContact O-CG 3.39Å; R265-K269 PolarHBondContact O-N 2.97Å
266	E	45.7	Very low	47.7	Very low	129 Å²	129	107.5 Å²	107.5	60%	0.603	54%	0.536	S	S	*	.	H	α-helix	trans	-82.3	-39.4	171.2	-66.4	-162.9	133.8	0	0	111.8	E262 S263 I264 K269 E270	E262-E266 PolarHBondContact O-N 3.48Å; S263-E266 PolarHBondContact O-N 2.84Å; I264-E266 VanDerWaalsContact C-N 3.26Å; I264-E266 PolarHBondContact O-N 3.23Å; E266-K269 PolarHBondContact O-N 3.39Å; E266-E270 WeakPolarHBondContact O-CB 3.44Å; E266-E270 PolarHBondContact O-N 3.02Å
267	E	52.7	Low	48.6	Very low	105 Å²	105	106.1 Å²	106.1	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-46.5	173.1	-174.5	171.2	-154.1	0	0	111.8	S263 I264 K269 E270 I271	S263-E267 WeakPolarHBondContact O-CB 3.33Å; S263-E267 PolarHBondContact O-N 3.36Å; I264-E267 PolarHBondContact O-N 2.77Å; E267-K269 PolarHBondContact O-N 2.55Å; E267-E270 WeakPolarHBondContact O-CB 3.46Å; E267-E270 PolarHBondContact O-N 3.14Å; E267-I271 HydrophobicContact CG-CD1 4.09Å; E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.38Å; E267-I271 PolarHBondContact O-N 3.05Å
268	E	54.1	Low	49.3	Very low	119 Å²	119	105 Å²	105	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-60.4	-43.3	174.8	-73.4	172.8	165.8	0	0	112.2	I264 E270 Y272	I264-E268 HydrophobicContact CG2-CG 4.31Å; I264-E268 WeakPolarHBondContact O-CB 3.43Å; I264-E268 WeakPolarHBondContact O-CG 3.48Å; I264-E268 PolarHBondContact O-N 3.32Å; E268-E270 VanDerWaalsContact C-N 3.35Å; E268-Y272 WeakPolarHBondContact O-CB 3.36Å; E268-Y272 PolarHBondContact O-N 2.58Å
269	K	54.2	Low	49.8	Very low	128 Å²	128	106.6 Å²	106.6	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-65.7	-36.9	175.3	-72.8	167	-163.1	162.7	0	112	R265 E266 E267 Y272 R273	R265-K269 WeakPolarHBondContact O-CD 3.32Å; R265-K269 VanDerWaalsContact O-CE 3.29Å; R265-K269 WeakPolarHBondContact O-CE 3.24Å; R265-K269 WeakPolarHBondContact O-CG 3.39Å; R265-K269 PolarHBondContact O-N 2.97Å; E266-K269 PolarHBondContact O-N 3.39Å; E267-K269 PolarHBondContact O-N 2.55Å; K269-Y272 PolarHBondContact O-N 2.9Å; K269-R273 WeakPolarHBondContact O-CG 3.29Å; K269-R273 PolarHBondContact O-N 2.74Å
270	E	60.1	Low	50	Low	70 Å²	70	107.3 Å²	107.3	33%	0.327	54%	0.537	S	S	.	.	H	α-helix	trans	-65.4	-49.1	178.1	-171.3	59.7	-135.5	0	0	110.9	E266 E267 E268 Y272 R273 Q274	E266-E270 WeakPolarHBondContact O-CB 3.44Å; E266-E270 PolarHBondContact O-N 3.02Å; E267-E270 WeakPolarHBondContact O-CB 3.46Å; E267-E270 PolarHBondContact O-N 3.14Å; E268-E270 VanDerWaalsContact C-N 3.35Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 PolarHBondContact O-N 3.1Å; E270-R273 PolarHBondContact O-N 3.15Å; E270-R273 VanDerWaalsContact O-N 3.16Å; E270-R273 IonicContact OE1-CZ 2.88Å; E270-R273 IonicContact OE1-NH1 2.66Å; E270-R273 IonicContact OE1-NH2 3.05Å; E270-R273 PolarHBondContact OE1-NH2 2.71Å; E270-R273 IonicContact OE2-CZ 2.81Å; E270-R273 IonicContact OE2-NH1 3.22Å; E270-R273 PolarHBondContact OE2-NH1 3.27Å; E270-R273 IonicContact OE2-NH2 2.7Å; E270-R273 PolarHBondContact OE2-NH2 2.72Å; E270-Q274 WeakPolarHBondContact O-CG 3.36Å; E270-Q274 PolarHBondContact O-N 3.11Å; E270-Q274 PolarHBondContact OE1-NE2 3.34Å
271	I	68	Low	50.2	Low	90 Å²	90	106.5 Å²	106.5	46%	0.462	54%	0.536	S	S	.	.	H	α-helix	trans	-55.9	-43.6	173.3	-68.6	164	0	0	0	110.4	E267 Q274 L275	E267-I271 HydrophobicContact CG-CD1 4.09Å; E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.38Å; E267-I271 PolarHBondContact O-N 3.05Å; I271-Q274 PolarHBondContact O-N 3.45Å; I271-L275 HydrophobicContact CG2-CD1 4.03Å; I271-L275 PolarHBondContact O-N 3.38Å
272	Y	48.9	Very low	50.8	Low	163 Å²	163	104.5 Å²	104.5	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-65.1	-39.2	178.5	-150.2	-96.1	0	0	0	112.9	E268 K269 E270 L276	E268-Y272 WeakPolarHBondContact O-CB 3.36Å; E268-Y272 PolarHBondContact O-N 2.58Å; K269-Y272 PolarHBondContact O-N 2.9Å; E270-Y272 VanDerWaalsContact C-N 3.27Å; E270-Y272 PolarHBondContact O-N 3.1Å; Y272-L276 HydrophobicContact CD1-CD1 3.68Å; Y272-L276 HydrophobicContact CE1-CD1 3.56Å; Y272-L276 WeakPolarHBondContact O-CD1 3.42Å; Y272-L276 PolarHBondContact O-N 2.86Å
273	R	63	Low	50.8	Low	137 Å²	137	109 Å²	109	52%	0.517	57%	0.568	S	S	.	*	H	α-helix	trans	-66.6	-38	173.5	-65.5	-154.7	-39	-67.9	-1.6	112.3	K269 E270 L276 T277	K269-R273 WeakPolarHBondContact O-CG 3.29Å; K269-R273 PolarHBondContact O-N 2.74Å; E270-R273 PolarHBondContact O-N 3.15Å; E270-R273 VanDerWaalsContact O-N 3.16Å; E270-R273 IonicContact OE1-CZ 2.88Å; E270-R273 IonicContact OE1-NH1 2.66Å; E270-R273 IonicContact OE1-NH2 3.05Å; E270-R273 PolarHBondContact OE1-NH2 2.71Å; E270-R273 IonicContact OE2-CZ 2.81Å; E270-R273 IonicContact OE2-NH1 3.22Å; E270-R273 PolarHBondContact OE2-NH1 3.27Å; E270-R273 IonicContact OE2-NH2 2.7Å; E270-R273 PolarHBondContact OE2-NH2 2.72Å; R273-L276 PolarHBondContact O-N 2.88Å; R273-T277 WeakPolarHBondContact O-CB 3.3Å; R273-T277 PolarHBondContact O-N 3.18Å; R273-T277 PolarHBondContact O-OG1 2.64Å
274	Q	55	Low	50.1	Low	103 Å²	103	111.5 Å²	111.5	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-69	-40.3	179.3	-69.1	175.8	17.7	0	0	111.1	E270 I271 T277 M278	E270-Q274 WeakPolarHBondContact O-CG 3.36Å; E270-Q274 PolarHBondContact O-N 3.11Å; E270-Q274 PolarHBondContact OE1-NE2 3.34Å; I271-Q274 PolarHBondContact O-N 3.45Å; Q274-T277 WeakPolarHBondContact O-CB 3.45Å; Q274-T277 PolarHBondContact O-N 3.23Å; Q274-M278 WeakPolarHBondContact O-CG 3.42Å; Q274-M278 PolarHBondContact O-N 3.37Å
275	L	54.5	Low	49.7	Very low	89 Å²	89	114.5 Å²	114.5	47%	0.466	61%	0.608	S	S	.	*	H	α-helix	trans	-59.6	-47.6	169.2	-83.7	161.8	0	0	0	112.5	I271 T277 M278 V279	I271-L275 HydrophobicContact CG2-CD1 4.03Å; I271-L275 PolarHBondContact O-N 3.38Å; L275-T277 PolarHBondContact O-N 2.87Å; L275-M278 PolarHBondContact O-N 3.46Å; L275-V279 WeakPolarHBondContact O-CG2 3.48Å; L275-V279 PolarHBondContact O-N 3.35Å
276	L	49.4	Very low	49	Very low	94 Å²	94	115 Å²	115	49%	0.492	62%	0.624	S	S	.	*	H	α-helix	trans	-58.3	-38.8	174.1	-102.2	76.6	0	0	0	111.9	Y272 R273 V279 S280	Y272-L276 HydrophobicContact CD1-CD1 3.68Å; Y272-L276 HydrophobicContact CE1-CD1 3.56Å; Y272-L276 WeakPolarHBondContact O-CD1 3.42Å; Y272-L276 PolarHBondContact O-N 2.86Å; R273-L276 PolarHBondContact O-N 2.88Å; L276-V279 PolarHBondContact O-N 3.3Å; L276-S280 WeakPolarHBondContact O-CB 3.46Å; L276-S280 PolarHBondContact O-N 2.72Å; L276-S280 PolarHBondContact O-OG 3.21Å
277	T	54.6	Low	48.3	Very low	104 Å²	104	116.5 Å²	116.5	64%	0.638	64%	0.636	S	S	*	*	H	α-helix	trans	-68.6	-37.2	-179.8	-55.1	0	0	0	0	111.7	R273 Q274 L275	R273-T277 WeakPolarHBondContact O-CB 3.3Å; R273-T277 PolarHBondContact O-N 3.18Å; R273-T277 PolarHBondContact O-OG1 2.64Å; Q274-T277 WeakPolarHBondContact O-CB 3.45Å; Q274-T277 PolarHBondContact O-N 3.23Å; L275-T277 PolarHBondContact O-N 2.87Å
278	M	47.4	Very low	47.1	Very low	150 Å²	150	120.5 Å²	120.5	74%	0.739	65%	0.654	S	S	*	*	H	α-helix	trans	-71.4	-39.8	175.3	-74	171.6	54.3	0	0	112.9	Q274 L275	Q274-M278 WeakPolarHBondContact O-CG 3.42Å; Q274-M278 PolarHBondContact O-N 3.37Å; L275-M278 PolarHBondContact O-N 3.46Å
279	V	46.2	Very low	46	Very low	124 Å²	124	122.6 Å²	122.6	75%	0.752	67%	0.669	S	S	*	*	H	α-helix	trans	-74	-32.2	179	174.3	0	0	0	0	111.8	L275 L276 G281	L275-V279 WeakPolarHBondContact O-CG2 3.48Å; L275-V279 PolarHBondContact O-N 3.35Å; L276-V279 PolarHBondContact O-N 3.3Å; V279-G281 PolarHBondContact O-N 2.77Å
280	S	52.1	Low	44.7	Very low	90 Å²	90	120.3 Å²	120.3	63%	0.629	68%	0.681	S	S	*	*	S	Bend	trans	-82.2	37.8	177.8	-47.5	0	0	0	0	113.4	L276 G282	L276-S280 WeakPolarHBondContact O-CB 3.46Å; L276-S280 PolarHBondContact O-N 2.72Å; L276-S280 PolarHBondContact O-OG 3.21Å; S280-G282 PolarHBondContact O-N 2.82Å
281	G	43	Very low	43.1	Very low	56 Å²	56	122.7 Å²	122.7	58%	0.577	71%	0.706	S	S	*	*			trans	-61.4	119.2	-161.1	0	0	0	0	0	115.9	V279	V279-G281 PolarHBondContact O-N 2.77Å
282	G	47.4	Very low	41.2	Very low	78 Å²	78	122.4 Å²	122.4	80%	0.804	72%	0.717	S	S	*	*			trans	60.9	62.2	143.7	0	0	0	0	0	118.9	S280 S284	S280-G282 PolarHBondContact O-N 2.82Å; G282-S284 PolarHBondContact O-N 2.97Å
283	Q	40.1	Very low	40.3	Very low	201 Å²	201	123.5 Å²	123.5	94%	0.939	73%	0.728	S	S	*	*			trans	-86.6	91.9	158.4	-71.4	-158.5	20.4	0	0	111.7
284	S	30	Very low	38.6	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	74%	0.739	S	S	*	*			trans	-154.9	112.3	154.7	-166.3	0	0	0	0	110.1	G282	G282-S284 PolarHBondContact O-N 2.97Å
285	T	33.5	Very low	37.3	Very low	137 Å²	137	128.3 Å²	128.3	84%	0.84	76%	0.762	S	S	*	*			trans	-96.2	119.5	177	50.7	0	0	0	0	110.4
286	V	28.2	Very low	36	Very low	138 Å²	138	130.6 Å²	130.6	84%	0.836	78%	0.779	S	S	*	*			trans	-122.6	121.3	161.4	-178.8	0	0	0	0	107.9
287	L	32.8	Very low	34.9	Very low	162 Å²	162	137.5 Å²	137.5	85%	0.848	80%	0.798	S	S	*	*			trans	-83.8	138	-178.7	-72.1	161.6	0	0	0	110.8
288	H	26.7	Very low	33.6	Very low	189 Å²	189	137.8 Å²	137.8	88%	0.875	81%	0.805	S	S	*	*			trans	-149.6	134.3	146.3	-136.8	-75.3	0	0	0	112.1
289	N	30.5	Very low	32.7	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	81%	0.81	S	S	*	*			trans	-80.5	151.6	174.1	-83.9	-28	0	0	0	111.3
290	G	26.8	Very low	32	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	81%	0.805	S	S	*	*			trans	167.4	72.3	171.7	0	0	0	0	0	116.6
291	S	26.9	Very low	31	Very low	121 Å²	121	144.9 Å²	144.9	85%	0.846	82%	0.816	S	S	*	*			trans	-31	137.5	174.1	-175.1	0	0	0	0	118.6
292	A	28.6	Very low	30.3	Very low	84 Å²	84	151.1 Å²	151.1	69%	0.694	83%	0.827	S	S	*	*				-174.7	127.7	120	0	0	0	0	0	114.8
293	H	29.5	Very low	29.4	Very low	186 Å²	186	153.1 Å²	153.1	86%	0.861	82%	0.824	S	S	*	*			trans	42.4	119.6	156.2	-66.4	-71.2	0	0	0	123.1
294	T	28	Very low	28.8	Very low	123 Å²	123	148.1 Å²	148.1	76%	0.755	81%	0.811	S	S	*	*			trans	-84	153.3	163.9	46.6	0	0	0	0	112.7
295	F	27.2	Very low	28.6	Very low	217 Å²	217	152 Å²	152	95%	0.952	81%	0.814	S	S	*	*			trans	-139.9	138.9	146.2	-103.3	-77.9	0	0	0	110
296	V	27.2	Very low	28.3	Very low	137 Å²	137	153.6 Å²	153.6	83%	0.83	82%	0.817	S	S	*	*			trans	-89.1	141.2	-168.3	176.5	0	0	0	0	111.2
297	R	25.6	Very low	28.3	Very low	239 Å²	239	153.7 Å²	153.7	90%	0.902	82%	0.818	S	S	*	*			trans	-121	115	163.5	-168.4	170.3	-173.7	155.9	3.6	110.1
298	S	27.5	Very low	28	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	82%	0.816	S	S	*	*			trans	-65.7	154.7	176.9	-170.5	0	0	0	0	111.9
299	H	29.3	Very low	28	Very low	180 Å²	180	152 Å²	152	83%	0.833	82%	0.818	S	S	*	*			trans	-140.4	74.4	-168.7	-154.4	-61.9	0	0	0	113.4
300	R	31.5	Very low	27.9	Very low	174 Å²	174	151.3 Å²	151.3	66%	0.657	82%	0.821	S	S	*	*			trans	-144.7	156	161.2	-68.9	-163.8	-173.2	171.8	7.2	107.1	M418	R300-M418 PolarHBondContact NH2-SD 2.9Å
301	D	31.1	Very low	27.9	Very low	159 Å²	159	159.1 Å²	159.1	85%	0.85	83%	0.825	S	S	*	*			cis	-114.3	-179.2	18.1	-71.8	-66.7	0	0	0	115.5
302	F	27.4	Very low	27.8	Very low	186 Å²	186	161 Å²	161	82%	0.816	83%	0.825	S	S	*	*			trans	-121.3	153.9	-168.8	-139.1	-115.6	0	0	0	110.9
303	T	28.8	Very low	27.7	Very low	120 Å²	120	165 Å²	165	74%	0.736	83%	0.83	S	S	*	*			trans	32.7	110.2	157	52.9	0	0	0	0	119.9
304	S	27	Very low	27.5	Very low	96 Å²	96	164 Å²	164	67%	0.671	83%	0.829	S	S	*	*			trans	-140.1	160.3	144.8	50.3	0	0	0	0	110
305	F	27.1	Very low	27.3	Very low	191 Å²	191	163.6 Å²	163.6	84%	0.838	83%	0.832	S	S	*	*			trans	67.9	70.4	174	-50.3	-73.7	0	0	0	118.9
306	L	27.3	Very low	27.1	Very low	170 Å²	170	158.9 Å²	158.9	89%	0.89	83%	0.826	S	S	*	*			trans	-149.9	81.3	143.1	-85.2	-168	0	0	0	112.2
307	T	27.2	Very low	27.9	Very low	141 Å²	141	158 Å²	158	87%	0.865	82%	0.823	S	S	*	*			trans	-174.3	109.6	149.6	26.4	0	0	0	0	109.9
308	S	26.1	Very low	27.9	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	82%	0.821	S	S	*	*			trans	-175.1	92.5	159.3	-86.4	0	0	0	0	110.9
309	H	27.6	Very low	27.8	Very low	199 Å²	199	150 Å²	150	92%	0.921	82%	0.823	S	S	*	*			trans	-165	90.1	151.9	-90.1	-38.2	0	0	0	110.9
310	T	28.2	Very low	27.7	Very low	150 Å²	150	147.6 Å²	147.6	92%	0.92	83%	0.826	S	S	*	*			trans	-123.4	155.7	147.6	45.9	0	0	0	0	107.9
311	R	25.9	Very low	27.5	Very low	242 Å²	242	143.7 Å²	143.7	91%	0.913	83%	0.831	S	S	*	*			trans	-139.2	126.9	-166.2	178	-167.3	-170.5	-157.4	5.5	108.9
312	L	26.4	Very low	27.5	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	83%	0.829	S	S	*	*			trans	-170.2	-178.4	146.6	-105.3	165.1	0	0	0	110.6
313	Q	26.1	Very low	27.6	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	83%	0.833	S	S	*	*			trans	-113.9	146.8	-151.4	-66.5	170.4	-91.4	0	0	115.4
314	L	24.6	Very low	27.7	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	83%	0.831	S	S	*	*			trans	55	112.3	133.8	-167.7	77.8	0	0	0	120
315	S	23.2	Very low	27.8	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	84%	0.84	S	S	*	*				169.6	164.3	117.9	47.9	0	0	0	0	113.6
316	S	23.4	Very low	27.9	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	83%	0.834	S	S	*	*			trans	-138.8	179.9	174.9	-38.4	0	0	0	0	107.6
317	P	44.6	Very low	28.2	Very low	118 Å²	118	137.5 Å²	137.5	77%	0.766	83%	0.834	S	S	*	*			cis	-140.7	-174.1	-3.4	43.2	-24.9	0	0	0	116.3
318	A	25.5	Very low	28.2	Very low	104 Å²	104	134.1 Å²	134.1	86%	0.86	83%	0.828	S	S	*	*			trans	80.2	142.7	140.9	0	0	0	0	0	123.7
319	G	25.6	Very low	29.4	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	83%	0.826	S	S	*	*			trans	113	141	158.1	0	0	0	0	0	117.2
320	S	27.6	Very low	29.6	Very low	128 Å²	128	129.6 Å²	129.6	90%	0.895	82%	0.816	S	S	*	*				174.7	113.3	-53.3	168.5	0	0	0	0	111.5
321	A	26.9	Very low	29.8	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	81%	0.808	S	S	*	*			trans	-168.3	126.9	163.2	0	0	0	0	0	109.1
322	A	31.4	Very low	31.4	Very low	98 Å²	98	121.8 Å²	121.8	81%	0.81	80%	0.802	S	S	*	*				75.1	141.4	88	0	0	0	0	0	113.8
323	E	28.5	Very low	32.8	Very low	192 Å²	192	119.2 Å²	119.2	90%	0.897	80%	0.795	S	S	*	*			cis	-162	152.5	12.7	-157.4	165.3	-152.1	0	0	113.6
324	G	30.8	Very low	33.3	Very low	66 Å²	66	116.6 Å²	116.6	68%	0.68	79%	0.794	S	S	*	*			trans	71.1	151.6	164.1	0	0	0	0	0	119.4
325	T	29.8	Very low	34.6	Very low	141 Å²	141	114 Å²	114	87%	0.865	79%	0.787	S	S	*	*			cis	-171.6	171.4	-9.7	-10.1	0	0	0	0	107.1
326	S	29.7	Very low	35.1	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	79%	0.794	S	S	*	*			cis	-155.1	-136.3	1.4	-160.3	0	0	0	0	111.9
327	E	32.8	Very low	35.5	Very low	190 Å²	190	118 Å²	118	89%	0.888	79%	0.787	S	S	*	*			trans	-71.6	162.7	-173.9	-64.5	168.4	-173.8	0	0	117.1
328	G	28.6	Very low	34.8	Very low	70 Å²	70	120.4 Å²	120.4	72%	0.722	79%	0.792	S	S	*	*			cis	168.7	-171.6	-0.3	0	0	0	0	0	110.5
329	P	50.7	Low	35.1	Very low	119 Å²	119	120.4 Å²	120.4	77%	0.773	79%	0.786	S	S	*	*			cis	-132.9	169.4	-12.9	42.9	-27	0	0	0	115.9
330	S	31.3	Very low	35.4	Very low	101 Å²	101	120.8 Å²	120.8	71%	0.706	78%	0.776	S	S	*	*			trans	30.8	149.8	147.9	62.9	0	0	0	0	124.4
331	S	33.3	Very low	35.6	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	77%	0.774	S	S	*	*			cis	-175.8	-161.1	-10.2	-82.3	0	0	0	0	108.3
332	P	59.6	Low	35.6	Very low	120 Å²	120	123.5 Å²	123.5	78%	0.779	77%	0.769	S	S	*	*				-121.4	-151	-89.5	45.6	-28	0	0	0	111.3
333	P	54.8	Low	35.5	Very low	108 Å²	108	123.8 Å²	123.8	70%	0.701	77%	0.766	S	S	*	*			cis	-138.5	-174.8	-11.6	41.7	-23.1	0	0	0	117
334	S	35.8	Very low	35.6	Very low	112 Å²	112	119 Å²	119	78%	0.783	75%	0.754	S	S	*	*			trans	96.2	150.4	140.7	-81.9	0	0	0	0	122.7
335	P	53.6	Low	35.5	Very low	108 Å²	108	123.3 Å²	123.3	70%	0.701	76%	0.761	S	S	*	*				-152.2	-171.7	-124.7	46.5	-25.2	0	0	0	119.8
336	R	33.5	Very low	35.6	Very low	252 Å²	252	124.6 Å²	124.6	95%	0.951	76%	0.761	S	S	*	*			trans	64.2	136.1	146.5	-82	179	175.7	-171.9	-0.7	122.7
337	G	30.3	Very low	36.4	Very low	65 Å²	65	125.3 Å²	125.3	67%	0.67	76%	0.764	S	S	*	*				142.5	150.5	113.3	0	0	0	0	0	120.6
338	L	31.8	Very low	36.3	Very low	169 Å²	169	121.3 Å²	121.3	89%	0.885	76%	0.757	S	S	*	*			trans	73.9	126	157.8	-54.5	176.4	0	0	0	117.3
339	S	30.4	Very low	37.6	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	76%	0.759	S	S	*	*				97.4	157	57.4	91.3	0	0	0	0	111.7
340	S	31.8	Very low	36.7	Very low	88 Å²	88	124.9 Å²	124.9	62%	0.615	76%	0.764	S	S	*	*			cis	-164.5	162.7	8.9	61.3	0	0	0	0	112.6
341	Q	32.1	Very low	36.6	Very low	183 Å²	183	123.3 Å²	123.3	86%	0.855	76%	0.764	S	S	*	*			trans	61.9	157.5	147.4	-74.4	178	31.9	0	0	119.9
342	S	26.7	Very low	36.4	Very low	95 Å²	95	123 Å²	123	66%	0.664	77%	0.768	S	S	*	*			cis	-161.2	164.8	0.7	38.2	0	0	0	0	112.9
343	S	30.3	Very low	35	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	77%	0.766	S	S	*	*			trans	35.3	150	144.9	60.3	0	0	0	0	124
344	S	30.2	Very low	33.8	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	77%	0.772	S	S	*	*			cis	178.3	165.4	-16.6	53.4	0	0	0	0	111.2
345	N	29.2	Very low	33.6	Very low	155 Å²	155	132.2 Å²	132.2	83%	0.829	78%	0.778	S	S	*	*			trans	97.7	146.3	155.7	-54.3	-29.6	0	0	0	121.6
346	L	32.3	Very low	32.5	Very low	168 Å²	168	132.8 Å²	132.8	88%	0.88	79%	0.785	S	S	*	*			trans	-105.8	-170.6	178.1	-70.6	148.3	0	0	0	109.3
347	P	44.7	Very low	32.1	Very low	120 Å²	120	123.7 Å²	123.7	78%	0.779	77%	0.769	S	S	*	*			cis	-135.5	-172.7	-1.2	35.9	-13.4	0	0	0	116.3
348	S	32.3	Very low	32	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	77%	0.773	S	S	*	*			trans	-76.6	-162	167	-37.5	0	0	0	0	112.2
349	P	56	Low	31.8	Very low	117 Å²	117	125 Å²	125	76%	0.76	77%	0.766	S	S	*	*			cis	-146.8	-159.9	5.6	32.1	-3.9	0	0	0	117.7
350	V	30.8	Very low	31.5	Very low	146 Å²	146	127 Å²	127	89%	0.885	77%	0.766	S	S	*	*			trans	95.3	138.6	156.8	-167.6	0	0	0	0	118.8
351	G	28.8	Very low	31.1	Very low	68 Å²	68	134 Å²	134	70%	0.701	78%	0.779	S	S	*	*			trans	-169.7	-48.6	175.8	0	0	0	0	0	120.6
352	A	30.6	Very low	32	Very low	103 Å²	103	130.3 Å²	130.3	85%	0.851	77%	0.771	S	S	*	*			trans	63	170	-170.8	0	0	0	0	0	114.4
353	S	29.8	Very low	32	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	77%	0.77	S	S	*	*			cis	-165.1	-174.9	5.6	-145.5	0	0	0	0	108
354	R	29.3	Very low	31.9	Very low	217 Å²	217	132 Å²	132	82%	0.819	78%	0.776	S	S	*	*			cis	-167.5	106.2	2.5	-155.4	178.9	-154.4	-167.6	7.1	113.1
355	K	31.7	Very low	32.1	Very low	211 Å²	211	131.5 Å²	131.5	92%	0.917	78%	0.776	S	S	*	*			trans	64.9	159.6	162.5	-67.8	-174.5	177.2	-170.2	0	117.7
356	S	29.7	Very low	32	Very low	120 Å²	120	131 Å²	131	84%	0.839	77%	0.774	S	S	*	*			cis	-162.3	154.2	-8.5	170.3	0	0	0	0	108
357	G	25.3	Very low	32.1	Very low	61 Å²	61	129.4 Å²	129.4	63%	0.629	77%	0.766	S	S	*	*			cis	161.1	163.2	-4.6	0	0	0	0	0	112.1
358	S	28.1	Very low	31.2	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	77%	0.765	S	S	*	*			trans	64.2	151	165.9	-78.1	0	0	0	0	120.2
359	Q	27	Very low	31.2	Very low	155 Å²	155	129.7 Å²	129.7	72%	0.724	77%	0.765	S	S	*	*			cis	-167	145.5	-16.4	-118.7	169.1	-51.8	0	0	112.7
360	I	25.4	Very low	29.8	Very low	144 Å²	144	130 Å²	130	74%	0.738	77%	0.771	S	S	*	*			trans	66.1	153.1	137	-73	170.8	0	0	0	122.9
361	W	21.9	Very low	30.1	Very low	235 Å²	235	131.8 Å²	131.8	89%	0.89	77%	0.769	S	S	*	*			trans	-91	-168.2	-177.8	-73.2	59.4	0	0	0	112.2
362	P	52.5	Low	30.8	Very low	106 Å²	106	133 Å²	133	69%	0.688	77%	0.765	S	S	*	*			cis	-135.2	-174	-44.8	35.2	-15.8	0	0	0	114.6
363	A	26.3	Very low	30.8	Very low	76 Å²	76	134.5 Å²	134.5	63%	0.628	76%	0.763	S	S	*	*			trans	49.8	139.6	136.6	0	0	0	0	0	124.4
364	D	28.7	Very low	30.7	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	76%	0.76	S	S	*	*			trans	62.2	155.4	152.9	-48.7	-25.4	0	0	0	118.3
365	A	33.6	Very low	30.7	Very low	80 Å²	80	129.8 Å²	129.8	66%	0.661	76%	0.757	S	S	*	*			cis	-153.5	-171.2	16.7	0	0	0	0	0	113.3
366	D	27.3	Very low	30.5	Very low	145 Å²	145	128.6 Å²	128.6	78%	0.775	75%	0.752	S	S	*	*			trans	73.7	141.2	152.8	-68.1	-5.4	0	0	0	121.2
367	L	34.2	Very low	30.3	Very low	135 Å²	135	127.9 Å²	127.9	71%	0.707	75%	0.747	S	S	*	*			cis	-166.8	174.4	-19.3	-123.2	174.8	0	0	0	110.9
368	T	26.9	Very low	30.3	Very low	124 Å²	124	129.2 Å²	129.2	76%	0.761	75%	0.752	S	S	*	*			trans	72.5	158.9	168.1	74.1	0	0	0	0	119.3
369	S	30.5	Very low	30.9	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	75%	0.754	S	S	*	*			cis	-174	128.1	-49.8	55.6	0	0	0	0	111.8
370	S	27.4	Very low	31.2	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	76%	0.756	S	S	*	*			trans	177.7	142.9	144.6	54.6	0	0	0	0	114.2
371	Q	36.8	Very low	31.9	Very low	182 Å²	182	127.1 Å²	127.1	85%	0.85	76%	0.761	S	S	*	*			trans	-85.4	-175.7	169.3	-111.2	-172.9	-19.8	0	0	111.4
372	P	44.6	Very low	32.1	Very low	95 Å²	95	121.2 Å²	121.2	62%	0.617	76%	0.756	S	S	*	*			cis	-136.7	167.3	3.8	36.1	-16.2	0	0	0	118.4
373	T	29.1	Very low	31	Very low	134 Å²	134	122 Å²	122	82%	0.822	76%	0.759	S	S	*	*			trans	63.3	142	148.7	44.9	0	0	0	0	121.4
374	A	29.3	Very low	31.1	Very low	81 Å²	81	125.5 Å²	125.5	67%	0.669	77%	0.766	S	S	*	*			cis	-159.2	134.3	-8.7	0	0	0	0	0	114.6
375	L	28.8	Very low	31.1	Very low	141 Å²	141	125.5 Å²	125.5	74%	0.738	76%	0.761	S	S	*	*			trans	48.5	127.6	131.1	-55.5	-178.7	0	0	0	124.4
376	F	27	Very low	30.7	Very low	187 Å²	187	128.1 Å²	128.1	82%	0.82	76%	0.764	S	S	*	*			trans	60	151.7	144.4	-63.2	-50.3	0	0	0	119.4
377	S	24.6	Very low	30.7	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	76%	0.761	S	S	*	*			cis	-162.3	172.6	-7.2	-106	0	0	0	0	110.7
378	A	26.3	Very low	30.4	Very low	90 Å²	90	127.3 Å²	127.3	74%	0.744	77%	0.765	S	S	*	*			trans	-77.5	-179.2	160.1	0	0	0	0	0	110.5
379	P	40.5	Very low	30.8	Very low	121 Å²	121	125.5 Å²	125.5	79%	0.786	76%	0.758	S	S	*	*			cis	-142.8	-166.7	13.9	44.1	-23.4	0	0	0	115.9
380	S	33.4	Very low	31	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	77%	0.765	S	S	*	*			trans	-72.9	160.5	163.4	-37.6	0	0	0	0	112.8
381	P	39.3	Very low	31.1	Very low	129 Å²	129	126.8 Å²	126.8	84%	0.838	76%	0.756	S	S	*	*			trans	-126.1	175.5	151	38.2	-27.6	0	0	0	113.8
382	S	27.4	Very low	31	Very low	112 Å²	112	123.5 Å²	123.5	78%	0.783	75%	0.748	S	S	*	*			trans	-113.3	-175.3	-168	54.5	0	0	0	0	114.1
383	T	30.1	Very low	30.5	Very low	123 Å²	123	127.5 Å²	127.5	76%	0.755	76%	0.759	S	S	*	*			trans	-48.2	136.4	172.2	51.1	0	0	0	0	115.3
384	L	27.2	Very low	30.8	Very low	148 Å²	148	126.5 Å²	126.5	78%	0.775	76%	0.758	S	S	*	*				175.9	180	115.9	-97.4	165.7	0	0	0	112.6
385	Q	28.9	Very low	31.1	Very low	162 Å²	162	128.1 Å²	128.1	76%	0.757	76%	0.764	S	S	*	*			trans	-45.7	156.6	175.5	-72	154.3	-53.5	0	0	113.6
386	D	24.6	Very low	31.3	Very low	134 Å²	134	125.1 Å²	125.1	72%	0.717	76%	0.759	S	S	*	*				-161.6	165.7	63	-133.3	-18.3	0	0	0	118.7
387	N	27.6	Very low	31.7	Very low	136 Å²	136	124.5 Å²	124.5	73%	0.727	76%	0.759	S	S	*	*			trans	-18.2	175.1	168.2	-82.8	-66.5	0	0	0	123.5
388	T	28.9	Very low	32.1	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	76%	0.762	S	S	*	*			trans	101	130.6	152.8	-42.1	0	0	0	0	116
389	S	34	Very low	32.4	Very low	86 Å²	86	125.9 Å²	125.9	60%	0.601	76%	0.762	S	S	*	*			cis	-168	168.6	-22.2	62.5	0	0	0	0	111
390	Q	35.3	Very low	32	Very low	191 Å²	191	127.4 Å²	127.4	89%	0.893	76%	0.764	S	S	*	*			trans	64.3	158.8	169.6	-57.6	178.4	1.6	0	0	114.3
391	G	30	Very low	32	Very low	67 Å²	67	126.8 Å²	126.8	69%	0.691	76%	0.759	S	S	*	*			cis	165.1	162.2	3.6	0	0	0	0	0	106.7
392	T	34.3	Very low	31.7	Very low	113 Å²	113	126.6 Å²	126.6	69%	0.693	76%	0.756	S	S	*	*			cis	-158.3	165.5	6.7	-47.2	0	0	0	0	107.8
393	E	34.1	Very low	31.9	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	76%	0.755	S	S	*	*			trans	3.9	149.7	154.5	-68.6	151.7	-148.7	0	0	120.6
394	S	35.2	Very low	32.1	Very low	114 Å²	114	130 Å²	130	80%	0.797	76%	0.757	S	S	*	*			cis	-161.7	-171.6	8.5	52.3	0	0	0	0	107.9
395	S	35.3	Very low	32.3	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	76%	0.758	S	S	*	*			cis	-152.3	175	15.1	59.4	0	0	0	0	111.9
396	A	32.6	Very low	32.4	Very low	77 Å²	77	128.7 Å²	128.7	64%	0.636	76%	0.761	S	S	*	*			trans	-107.5	160	-179	0	0	0	0	0	112.4
397	H	35.7	Very low	32.8	Very low	175 Å²	175	130.7 Å²	130.7	81%	0.81	77%	0.766	S	S	*	*				-174.5	172.4	112.4	-100.5	-65.5	0	0	0	113.2
398	D	33.6	Very low	33.1	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	77%	0.773	S	S	*	*			trans	-63.7	160.4	-173.2	-48.4	-96.7	0	0	0	114.4
399	G	33.3	Very low	33.1	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	78%	0.78	S	S	*	*			cis	169.8	-161.8	-1.4	0	0	0	0	0	113.7
400	D	30.8	Very low	32.7	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	79%	0.789	S	S	*	*			trans	73.4	106.5	168.8	-128	-18.7	0	0	0	121.3
401	S	34.1	Very low	32.6	Very low	98 Å²	98	139.3 Å²	139.3	69%	0.685	79%	0.789	S	S	*	*			trans	40.9	125.9	138.9	-53.6	0	0	0	0	123.5
402	V	32.5	Very low	32.5	Very low	126 Å²	126	145.7 Å²	145.7	76%	0.764	80%	0.797	S	S	*	*				-179.7	124.4	94	154.3	0	0	0	0	112
403	I	32.3	Very low	32.5	Very low	150 Å²	150	148 Å²	148	77%	0.769	80%	0.8	S	S	*	*			trans	48.1	120	156.9	-61.1	170.1	0	0	0	119.9
404	I	34	Very low	32.2	Very low	156 Å²	156	146.8 Å²	146.8	80%	0.8	80%	0.795	S	S	*	*			trans	-97.2	137	165.6	-62.6	168.2	0	0	0	110.1	N406	I404-N406 HydrophobicContact CG2-CB 4.41Å
405	V	31	Very low	31.8	Very low	131 Å²	131	147 Å²	147	79%	0.794	80%	0.796	S	S	*	*			trans	-133.4	110.5	149.4	-178.6	0	0	0	0	108.2
406	N	31.7	Very low	31.7	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	79%	0.792	S	S	*	*			trans	-133	98.4	170	-161.6	16	0	0	0	108.3	I404 Q408	I404-N406 HydrophobicContact CG2-CB 4.41Å; N406-Q408 PolarHBondContact O-N 3.27Å
407	E	32	Very low	31.7	Very low	177 Å²	177	148.5 Å²	148.5	83%	0.827	80%	0.802	S	S	*	*			trans	-76.4	123.3	-164	-169.2	176.6	-146.6	0	0	112	K409	E407-K409 PolarHBondContact O-N 2.98Å; E407-K409 VanDerWaalsContact O-N 3.07Å
408	Q	34.2	Very low	31.6	Very low	186 Å²	186	144.8 Å²	144.8	87%	0.869	79%	0.786	S	S	*	*			trans	-67.3	106.1	179.9	-69.5	175.6	-40.5	0	0	110.6	N406 C410	N406-Q408 PolarHBondContact O-N 3.27Å; Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.1Å
409	K	29.8	Very low	32.1	Very low	214 Å²	214	143.4 Å²	143.4	93%	0.93	79%	0.785	S	S	*	*			trans	-71.1	112	-178.4	-134.5	168	-168.5	169.2	0	111.2	E407	E407-K409 PolarHBondContact O-N 2.98Å; E407-K409 VanDerWaalsContact O-N 3.07Å
410	C	24.5	Very low	32.3	Very low	118 Å²	118	147.7 Å²	147.7	80%	0.797	79%	0.79	S	S	*	*			trans	-60.3	150	-170.3	-169.2	0	0	0	0	113.9	Q408	Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.1Å
411	K	34.7	Very low	33.4	Very low	204 Å²	204	147.6 Å²	147.6	89%	0.887	78%	0.783	S	S	*	*			trans	-61.8	144.8	171.8	-63.3	176.4	-179.4	175.3	0	110.4
412	K	27.9	Very low	34.6	Very low	200 Å²	200	148.9 Å²	148.9	87%	0.87	78%	0.778	S	S	*	*			trans	-142.4	108.1	170.6	-165.4	164.3	-173.8	-178	0	111.8
413	Q	32.8	Very low	35.6	Very low	161 Å²	161	144.6 Å²	144.6	75%	0.752	76%	0.756	S	S	*	*			trans	-63.7	149	151.8	-79.7	166.8	-97.4	0	0	107.9
414	E	29.2	Very low	37.1	Very low	155 Å²	155	143.4 Å²	143.4	72%	0.724	75%	0.747	S	S	*	*			cis	-159.9	160.1	18.6	-144.5	157.4	-117.1	0	0	111.1
415	S	26.9	Very low	38.6	Very low	119 Å²	119	140.4 Å²	140.4	83%	0.832	73%	0.732	S	S	*	*			trans	-175.2	130	138.7	27.5	0	0	0	0	110.1	S417	S415-S417 PolarHBondContact O-N 2.87Å
416	S	33.3	Very low	40.3	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	72%	0.719	S	S	*	*			trans	-78	108.4	178.1	43.4	0	0	0	0	110.6	M418	S416-M418 PolarHBondContact O-N 2.97Å; S416-M418 VanDerWaalsContact O-N 3.07Å
417	S	31.1	Very low	42.3	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	70%	0.703	S	S	*	*			trans	-61.2	110.8	171	-171.5	0	0	0	0	109.6	S415	S415-S417 PolarHBondContact O-N 2.87Å
418	M	34.8	Very low	44.2	Very low	97 Å²	97	135.1 Å²	135.1	48%	0.478	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-69.7	142	166.9	-73.9	-74.1	109.1	0	0	109	R300 S416 L420	R300-M418 PolarHBondContact NH2-SD 2.9Å; S416-M418 PolarHBondContact O-N 2.97Å; S416-M418 VanDerWaalsContact O-N 3.07Å; M418-L420 PolarHBondContact O-N 3.05Å
419	P	42.9	Very low	46.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60	117.8	177.8	24.9	-33	0	0	0	109.7	F421	P419-F421 PolarHBondContact O-N 3.32Å
420	L	38.8	Very low	47.9	Very low	163 Å²	163	124 Å²	124	85%	0.853	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.6	176.5	-161.6	79.5	0	0	0	108.4	M418 Q422	M418-L420 PolarHBondContact O-N 3.05Å; L420-Q422 PolarHBondContact O-N 3.39Å
421	F	52.1	Low	50.5	Low	150 Å²	150	121.8 Å²	121.8	66%	0.658	62%	0.624	S	S	*	*			trans	-58.7	104.6	179.2	173.4	-101.8	0	0	0	109.6	P419 A423 W426	P419-F421 PolarHBondContact O-N 3.32Å; F421-A423 HydrophobicContact CD1-CB 3.96Å; F421-A423 HydrophobicContact CE1-CB 3.73Å; F421-A423 PolarHBondContact O-N 2.84Å; F421-W426 HydrophobicContact CZ-CB 4.45Å; F421-W426 HydrophobicContact CZ-CD2 4.1Å; F421-W426 HydrophobicContact CZ-CE3 4.04Å; F421-W426 HydrophobicContact CZ-CG 4.31Å
422	Q	60.3	Low	52.9	Low	125 Å²	125	115.3 Å²	115.3	58%	0.584	60%	0.604	S	S	*	*			trans	-83.9	69.1	-167.8	-159.1	167.8	0.9	0	0	110.2	L420 E424 L425 W426	L420-Q422 PolarHBondContact O-N 3.39Å; Q422-E424 PolarHBondContact O-N 3.19Å; Q422-L425 HydrophobicContact CB-CD1 4.33Å; Q422-L425 VanDerWaalsContact CD-CD1 3.46Å; Q422-L425 HydrophobicContact CG-CD1 3.99Å; Q422-L425 HydrophobicContact CG-CG 3.96Å; Q422-L425 PolarHBondContact O-N 3.43Å; Q422-W426 PolarHBondContact O-N 3.26Å
423	A	53.1	Low	55	Low	36 Å²	36	111.1 Å²	111.1	30%	0.298	59%	0.589	S	S	.	*	H	α-helix	trans	-50.1	-33.6	-174.3	0	0	0	0	0	113.1	F421 L425 W426 I427	F421-A423 HydrophobicContact CD1-CB 3.96Å; F421-A423 HydrophobicContact CE1-CB 3.73Å; F421-A423 PolarHBondContact O-N 2.84Å; A423-L425 PolarHBondContact O-N 3.22Å; A423-W426 PolarHBondContact O-N 2.81Å; A423-I427 WeakPolarHBondContact O-CB 3.07Å; A423-I427 WeakPolarHBondContact O-CD1 3.31Å; A423-I427 WeakPolarHBondContact O-CG1 3.35Å; A423-I427 PolarHBondContact O-N 3Å
424	E	64	Low	56.5	Low	125 Å²	125	109.4 Å²	109.4	58%	0.584	58%	0.577	S	S	*	*	H	α-helix	trans	-58.4	-41.7	173.7	-72.6	-168.9	-148.1	0	0	114.2	Q422 K428	Q422-E424 PolarHBondContact O-N 3.19Å; E424-K428 VanDerWaalsContact O-CB 3.31Å; E424-K428 WeakPolarHBondContact O-CB 3.34Å; E424-K428 VanDerWaalsContact O-CD 3.28Å; E424-K428 WeakPolarHBondContact O-CD 3.44Å; E424-K428 WeakPolarHBondContact O-CG 3.4Å; E424-K428 PolarHBondContact O-N 2.93Å; E424-K428 IonicContact OE2-NZ 2.9Å; E424-K428 PolarHBondContact OE2-NZ 3.15Å
425	L	66.2	Low	59	Low	94 Å²	94	105.5 Å²	105.5	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-70.1	-42.8	178.8	-69.1	-179.6	0	0	0	110.2	Q422 A423 I427 K428 E429	Q422-L425 HydrophobicContact CB-CD1 4.33Å; Q422-L425 VanDerWaalsContact CD-CD1 3.46Å; Q422-L425 HydrophobicContact CG-CD1 3.99Å; Q422-L425 HydrophobicContact CG-CG 3.96Å; Q422-L425 PolarHBondContact O-N 3.43Å; A423-L425 PolarHBondContact O-N 3.22Å; L425-I427 PolarHBondContact O-N 3.3Å; L425-K428 PolarHBondContact O-N 3.42Å; L425-E429 VanDerWaalsContact O-CB 3.31Å; L425-E429 WeakPolarHBondContact O-CB 3.32Å; L425-E429 PolarHBondContact O-N 3.37Å
426	W	65.9	Low	61.1	Low	134 Å²	134	102.8 Å²	102.8	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-39.1	176.8	-177.8	66	0	0	0	112.7	F421 Q422 A423 L430	F421-W426 HydrophobicContact CZ-CB 4.45Å; F421-W426 HydrophobicContact CZ-CD2 4.1Å; F421-W426 HydrophobicContact CZ-CE3 4.04Å; F421-W426 HydrophobicContact CZ-CG 4.31Å; Q422-W426 PolarHBondContact O-N 3.26Å; A423-W426 PolarHBondContact O-N 2.81Å; W426-L430 HydrophobicContact CD2-CD1 3.8Å; W426-L430 HydrophobicContact CE3-CD1 4.04Å; W426-L430 HydrophobicContact CG-CD1 4.45Å; W426-L430 HydrophobicContact CH2-CD1 3.86Å; W426-L430 HydrophobicContact CZ2-CD1 3.6Å; W426-L430 HydrophobicContact CZ3-CD1 4.07Å; W426-L430 WeakPolarHBondContact O-CB 3.44Å; W426-L430 WeakPolarHBondContact O-CG 3.12Å; W426-L430 PolarHBondContact O-N 3.44Å
427	I	74	Confident	63.1	Low	92 Å²	92	104.1 Å²	104.1	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-46	173	-69.9	164.5	0	0	0	110.5	A423 L425 E429 L430 T431	A423-I427 WeakPolarHBondContact O-CB 3.07Å; A423-I427 WeakPolarHBondContact O-CD1 3.31Å; A423-I427 WeakPolarHBondContact O-CG1 3.35Å; A423-I427 PolarHBondContact O-N 3Å; L425-I427 PolarHBondContact O-N 3.3Å; I427-E429 VanDerWaalsContact C-N 3.3Å; I427-E429 PolarHBondContact O-N 3.2Å; I427-L430 PolarHBondContact O-N 2.97Å; I427-T431 WeakPolarHBondContact O-CB 2.83Å; I427-T431 PolarHBondContact O-N 2.93Å; I427-T431 PolarHBondContact O-OG1 3.27Å
428	K	71.9	Confident	65	Low	122 Å²	122	100 Å²	100	53%	0.53	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-39	176.3	-74.2	161.6	-171.4	159.6	0	111.9	E424 L425 S432	E424-K428 VanDerWaalsContact O-CB 3.31Å; E424-K428 WeakPolarHBondContact O-CB 3.34Å; E424-K428 VanDerWaalsContact O-CD 3.28Å; E424-K428 WeakPolarHBondContact O-CD 3.44Å; E424-K428 WeakPolarHBondContact O-CG 3.4Å; E424-K428 PolarHBondContact O-N 2.93Å; E424-K428 IonicContact OE2-NZ 2.9Å; E424-K428 PolarHBondContact OE2-NZ 3.15Å; L425-K428 PolarHBondContact O-N 3.42Å; K428-S432 WeakPolarHBondContact O-CB 3.08Å; K428-S432 PolarHBondContact O-N 3.31Å
429	E	73.6	Confident	67.1	Low	120 Å²	120	101.9 Å²	101.9	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-67.7	-46.5	175.8	-175.5	173.6	-149.8	0	0	111.9	L425 I427 S432 M433	L425-E429 VanDerWaalsContact O-CB 3.31Å; L425-E429 WeakPolarHBondContact O-CB 3.32Å; L425-E429 PolarHBondContact O-N 3.37Å; I427-E429 VanDerWaalsContact C-N 3.3Å; I427-E429 PolarHBondContact O-N 3.2Å; E429-S432 PolarHBondContact O-N 3.1Å; E429-M433 WeakPolarHBondContact O-CG 3.3Å; E429-M433 PolarHBondContact O-N 3.03Å
430	L	68.2	Low	68.6	Low	47 Å²	47	100 Å²	100	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-59.3	-52.4	174	-83.1	168.3	0	0	0	112	W426 I427 S432 M433 Y434	W426-L430 HydrophobicContact CD2-CD1 3.8Å; W426-L430 HydrophobicContact CE3-CD1 4.04Å; W426-L430 HydrophobicContact CG-CD1 4.45Å; W426-L430 HydrophobicContact CH2-CD1 3.86Å; W426-L430 HydrophobicContact CZ2-CD1 3.6Å; W426-L430 HydrophobicContact CZ3-CD1 4.07Å; W426-L430 WeakPolarHBondContact O-CB 3.44Å; W426-L430 WeakPolarHBondContact O-CG 3.12Å; W426-L430 PolarHBondContact O-N 3.44Å; I427-L430 PolarHBondContact O-N 2.97Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 3.16Å; L430-M433 HydrophobicContact CD2-CE 4.14Å; L430-M433 PolarHBondContact O-N 2.84Å; L430-Y434 HydrophobicContact CD2-CE2 4.2Å; L430-Y434 WeakPolarHBondContact O-CD2 3.25Å; L430-Y434 PolarHBondContact O-N 2.81Å
431	T	78.9	Confident	70.2	Confident	71 Å²	71	96.4 Å²	96.4	44%	0.436	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-45.2	177.4	-63.2	0	0	0	0	110.6	I427 M433 Y434 D435	I427-T431 WeakPolarHBondContact O-CB 2.83Å; I427-T431 PolarHBondContact O-N 2.93Å; I427-T431 PolarHBondContact O-OG1 3.27Å; T431-M433 PolarHBondContact O-N 3.12Å; T431-Y434 PolarHBondContact O-N 3.37Å; T431-D435 WeakPolarHBondContact CG2-OD2 3.45Å; T431-D435 WeakPolarHBondContact O-CB 3.19Å; T431-D435 PolarHBondContact O-N 3.36Å
432	S	84.8	Confident	71.4	Confident	67 Å²	67	96.9 Å²	96.9	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-58.5	-43	175.2	-175.5	0	0	0	0	112.9	K428 E429 L430 S436	K428-S432 WeakPolarHBondContact O-CB 3.08Å; K428-S432 PolarHBondContact O-N 3.31Å; E429-S432 PolarHBondContact O-N 3.1Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 3.16Å; S432-S436 WeakPolarHBondContact O-CB 3.39Å; S432-S436 PolarHBondContact O-N 2.73Å
433	M	72.3	Confident	72.8	Confident	113 Å²	113	97.2 Å²	97.2	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-64.5	-43.5	174.7	-76.3	-160.3	-67.5	0	0	112.7	E429 L430 T431 S436 R437	E429-M433 WeakPolarHBondContact O-CG 3.3Å; E429-M433 PolarHBondContact O-N 3.03Å; L430-M433 HydrophobicContact CD2-CE 4.14Å; L430-M433 PolarHBondContact O-N 2.84Å; T431-M433 PolarHBondContact O-N 3.12Å; M433-S436 PolarHBondContact O-N 3Å; M433-R437 WeakPolarHBondContact O-CB 3.24Å; M433-R437 PolarHBondContact O-N 3.13Å
434	Y	64.5	Low	74.3	Confident	125 Å²	125	99.9 Å²	99.9	49%	0.49	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-46.4	177.7	-84.1	-67.9	0	0	0	111.8	L430 T431 S436 R437 A438 M633	L430-Y434 HydrophobicContact CD2-CE2 4.2Å; L430-Y434 WeakPolarHBondContact O-CD2 3.25Å; L430-Y434 PolarHBondContact O-N 2.81Å; T431-Y434 PolarHBondContact O-N 3.37Å; Y434-S436 VanDerWaalsContact C-N 3.31Å; Y434-S436 PolarHBondContact O-N 2.79Å; Y434-R437 PolarHBondContact O-N 3.15Å; Y434-A438 VanDerWaalsContact O-CB 3.32Å; Y434-A438 WeakPolarHBondContact O-CB 3.32Å; Y434-A438 PolarHBondContact O-N 2.63Å; Y434-M633 HydrophobicContact CE1-CE 3.85Å
435	D	80.7	Confident	75.2	Confident	73 Å²	73	98 Å²	98	39%	0.39	45%	0.454	S	S	.	.	H	α-helix	trans	-63.1	-38.6	176.4	-66.1	-19.4	0	0	0	111.4	T431 A438 R439	T431-D435 WeakPolarHBondContact CG2-OD2 3.45Å; T431-D435 WeakPolarHBondContact O-CB 3.19Å; T431-D435 PolarHBondContact O-N 3.36Å; D435-A438 PolarHBondContact O-N 2.91Å; D435-R439 WeakPolarHBondContact O-CB 3.4Å; D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 3.08Å
436	S	70.8	Confident	76.3	Confident	62 Å²	62	100 Å²	100	43%	0.434	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-48.2	175.7	-164.5	0	0	0	0	111.3	S432 M433 Y434 A438 R439 E440	S432-S436 WeakPolarHBondContact O-CB 3.39Å; S432-S436 PolarHBondContact O-N 2.73Å; M433-S436 PolarHBondContact O-N 3Å; Y434-S436 VanDerWaalsContact C-N 3.31Å; Y434-S436 PolarHBondContact O-N 2.79Å; S436-A438 VanDerWaalsContact C-N 3.27Å; S436-A438 PolarHBondContact O-N 3.41Å; S436-R439 VanDerWaalsContact CA-NH2 3.33Å; S436-R439 PolarHBondContact O-N 2.87Å; S436-E440 WeakPolarHBondContact O-CB 3.13Å; S436-E440 PolarHBondContact O-N 2.97Å
437	R	75.8	Confident	77.5	Confident	131 Å²	131	97.8 Å²	97.8	49%	0.494	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-31	174.5	-179.1	173.6	-83	-178.7	-7.4	112.4	M433 Y434 R441	M433-R437 WeakPolarHBondContact O-CB 3.24Å; M433-R437 PolarHBondContact O-N 3.13Å; Y434-R437 PolarHBondContact O-N 3.15Å; R437-R441 WeakPolarHBondContact O-CB 3.32Å; R437-R441 WeakPolarHBondContact O-CG 3.36Å; R437-R441 PolarHBondContact O-N 2.93Å; R437-R441 VanDerWaalsContact O-N 3.07Å
438	A	71.2	Confident	77.7	Confident	31 Å²	31	100.3 Å²	100.3	26%	0.256	47%	0.466	S	S	.	.	H	α-helix	trans	-77.6	-30.3	175.8	0	0	0	0	0	113.5	Y434 D435 S436 R442	Y434-A438 VanDerWaalsContact O-CB 3.32Å; Y434-A438 WeakPolarHBondContact O-CB 3.32Å; Y434-A438 PolarHBondContact O-N 2.63Å; D435-A438 PolarHBondContact O-N 2.91Å; S436-A438 VanDerWaalsContact C-N 3.27Å; S436-A438 PolarHBondContact O-N 3.41Å; A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 3.5Å; A438-R442 PolarHBondContact O-NE 2.79Å; A438-R442 VanDerWaalsContact O-NE 3.15Å
439	R	78.3	Confident	78.1	Confident	137 Å²	137	100.8 Å²	100.8	52%	0.517	47%	0.47	S	S	.	.	H	α-helix	trans	-69.6	-48.5	169.7	-75.5	-177.6	-64.4	-98.1	0.7	110.8	D435 S436 R441 R442 R443	D435-R439 WeakPolarHBondContact O-CB 3.4Å; D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 3.08Å; S436-R439 VanDerWaalsContact CA-NH2 3.33Å; S436-R439 PolarHBondContact O-N 2.87Å; R439-R441 VanDerWaalsContact C-N 3.34Å; R439-R441 PolarHBondContact O-N 3.44Å; R439-R442 WeakPolarHBondContact O-CB 3.32Å; R439-R442 PolarHBondContact O-N 2.86Å; R439-R442 VanDerWaalsContact O-N 3.11Å; R439-R443 PolarHBondContact O-N 2.87Å
440	E	74.4	Confident	78.9	Confident	81 Å²	81	97.9 Å²	97.9	38%	0.379	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-41.6	178.7	-177.7	56.5	-154.4	0	0	111.8	S436 R443 Q444	S436-E440 WeakPolarHBondContact O-CB 3.13Å; S436-E440 PolarHBondContact O-N 2.97Å; E440-R443 PolarHBondContact O-N 3.37Å; E440-Q444 VanDerWaalsContact O-CG 3.32Å; E440-Q444 WeakPolarHBondContact O-CG 3.3Å; E440-Q444 PolarHBondContact O-N 2.97Å; E440-Q444 PolarHBondContact OE1-NE2 2.91Å
441	R	73.2	Confident	80	Confident	89 Å²	89	100.6 Å²	100.6	34%	0.336	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-37	173.4	-79	177.3	169.2	163.1	-1.6	113.6	R437 R439 Q444 I445 M633	R437-R441 WeakPolarHBondContact O-CB 3.32Å; R437-R441 WeakPolarHBondContact O-CG 3.36Å; R437-R441 PolarHBondContact O-N 2.93Å; R437-R441 VanDerWaalsContact O-N 3.07Å; R439-R441 VanDerWaalsContact C-N 3.34Å; R439-R441 PolarHBondContact O-N 3.44Å; R441-Q444 PolarHBondContact O-N 3.35Å; R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3Å; R441-I445 VanDerWaalsContact O-N 3.14Å; R441-M633 PolarHBondContact NH2-O 2.87Å
442	R	77	Confident	80.3	Confident	160 Å²	160	100 Å²	100	60%	0.604	48%	0.483	S	S	*	.	H	α-helix	trans	-64.6	-44.9	174.2	-84.8	178.7	-99.6	-133.7	3.6	111.6	A438 R439 Q444 I445 E446	A438-R442 WeakPolarHBondContact O-CG 3.36Å; A438-R442 PolarHBondContact O-N 3.5Å; A438-R442 PolarHBondContact O-NE 2.79Å; A438-R442 VanDerWaalsContact O-NE 3.15Å; R439-R442 WeakPolarHBondContact O-CB 3.32Å; R439-R442 PolarHBondContact O-N 2.86Å; R439-R442 VanDerWaalsContact O-N 3.11Å; R442-Q444 VanDerWaalsContact C-N 3.35Å; R442-Q444 PolarHBondContact O-N 2.94Å; R442-I445 WeakPolarHBondContact O-CB 3.19Å; R442-I445 PolarHBondContact O-N 2.86Å; R442-E446 PolarHBondContact O-N 2.8Å
443	R	89.5	Confident	80.4	Confident	131 Å²	131	99.6 Å²	99.6	49%	0.494	48%	0.484	S	S	.	.	H	α-helix	trans	-57.8	-44.6	173.9	-179.6	-173.9	165	-160.3	-8.6	112.2	R439 E440 I445 E446 E447	R439-R443 PolarHBondContact O-N 2.87Å; E440-R443 PolarHBondContact O-N 3.37Å; R443-I445 VanDerWaalsContact C-N 3.29Å; R443-I445 PolarHBondContact O-N 3.18Å; R443-E446 PolarHBondContact O-N 2.83Å; R443-E447 HydrophobicContact CG-CG 4.41Å; R443-E447 IonicContact CZ-OE1 2.73Å; R443-E447 IonicContact NE-OE1 2.84Å; R443-E447 PolarHBondContact NE-OE1 3.25Å; R443-E447 IonicContact NH2-OE1 2.68Å; R443-E447 PolarHBondContact NH2-OE1 3.28Å; R443-E447 WeakPolarHBondContact O-CB 3.43Å; R443-E447 WeakPolarHBondContact O-CG 3.3Å; R443-E447 PolarHBondContact O-N 2.86Å
444	Q	84.3	Confident	81.3	Confident	93 Å²	93	100.1 Å²	100.1	44%	0.435	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-29.5	178.9	-71.4	171.9	11.4	0	0	113.1	E440 R441 R442 Q448	E440-Q444 VanDerWaalsContact O-CG 3.32Å; E440-Q444 WeakPolarHBondContact O-CG 3.3Å; E440-Q444 PolarHBondContact O-N 2.97Å; E440-Q444 PolarHBondContact OE1-NE2 2.91Å; R441-Q444 PolarHBondContact O-N 3.35Å; R442-Q444 VanDerWaalsContact C-N 3.35Å; R442-Q444 PolarHBondContact O-N 2.94Å; Q444-Q448 WeakPolarHBondContact O-CG 3.45Å; Q444-Q448 PolarHBondContact O-N 2.87Å
445	I	83.9	Confident	82.5	Confident	84 Å²	84	98.6 Å²	98.6	43%	0.431	49%	0.485	S	S	.	.	H	α-helix	trans	-69.3	-49.9	171.1	-68.2	162.6	0	0	0	109.8	R441 R442 R443 E447 Q448 E449	R441-I445 WeakPolarHBondContact O-CG1 3.44Å; R441-I445 PolarHBondContact O-N 3Å; R441-I445 VanDerWaalsContact O-N 3.14Å; R442-I445 WeakPolarHBondContact O-CB 3.19Å; R442-I445 PolarHBondContact O-N 2.86Å; R443-I445 VanDerWaalsContact C-N 3.29Å; R443-I445 PolarHBondContact O-N 3.18Å; I445-E447 VanDerWaalsContact C-N 3.35Å; I445-E447 PolarHBondContact O-N 3.42Å; I445-Q448 PolarHBondContact O-N 3.07Å; I445-Q448 VanDerWaalsContact O-N 3.08Å; I445-E449 HydrophobicContact CG2-CG 4.24Å; I445-E449 WeakPolarHBondContact O-CG 3.44Å; I445-E449 PolarHBondContact O-N 2.79Å
446	E	88.4	Confident	82.7	Confident	137 Å²	137	99.8 Å²	99.8	64%	0.64	49%	0.491	S	S	*	.	H	α-helix	trans	-58.4	-42.5	178.8	-174.6	173.9	-159.1	0	0	112.4	R442 R443 Q448 E449 A450	R442-E446 PolarHBondContact O-N 2.8Å; R443-E446 PolarHBondContact O-N 2.83Å; E446-Q448 PolarHBondContact O-N 2.75Å; E446-E449 PolarHBondContact O-N 3.24Å; E446-A450 VanDerWaalsContact O-CB 3.31Å; E446-A450 WeakPolarHBondContact O-CB 3.31Å; E446-A450 PolarHBondContact O-N 3.19Å
447	E	90.9	Very high	83.4	Confident	88 Å²	88	106.5 Å²	106.5	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-38.2	174.2	-74.1	178.3	176.1	0	0	112.4	R443 I445 L451	R443-E447 HydrophobicContact CG-CG 4.41Å; R443-E447 IonicContact CZ-OE1 2.73Å; R443-E447 IonicContact NE-OE1 2.84Å; R443-E447 PolarHBondContact NE-OE1 3.25Å; R443-E447 IonicContact NH2-OE1 2.68Å; R443-E447 PolarHBondContact NH2-OE1 3.28Å; R443-E447 WeakPolarHBondContact O-CB 3.43Å; R443-E447 WeakPolarHBondContact O-CG 3.3Å; R443-E447 PolarHBondContact O-N 2.86Å; I445-E447 VanDerWaalsContact C-N 3.35Å; I445-E447 PolarHBondContact O-N 3.42Å; E447-L451 VanDerWaalsContact O-CG 3.29Å; E447-L451 WeakPolarHBondContact O-CG 3.49Å; E447-L451 PolarHBondContact O-N 2.79Å
448	Q	78.6	Confident	83.9	Confident	145 Å²	145	105.3 Å²	105.3	68%	0.678	51%	0.506	S	S	*	.	H	α-helix	trans	-74.3	-37.5	175.9	-74.5	-170.4	6	0	0	113.1	Q444 I445 E446 L451 A452	Q444-Q448 WeakPolarHBondContact O-CG 3.45Å; Q444-Q448 PolarHBondContact O-N 2.87Å; I445-Q448 PolarHBondContact O-N 3.07Å; I445-Q448 VanDerWaalsContact O-N 3.08Å; E446-Q448 PolarHBondContact O-N 2.75Å; Q448-L451 PolarHBondContact O-N 2.85Å; Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.43Å
449	E	80.7	Confident	84.3	Confident	131 Å²	131	111.8 Å²	111.8	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-66.5	-39.7	175.8	-72.7	-179	172.7	0	0	111.2	I445 E446 A452 A453	I445-E449 HydrophobicContact CG2-CG 4.24Å; I445-E449 WeakPolarHBondContact O-CG 3.44Å; I445-E449 PolarHBondContact O-N 2.79Å; E446-E449 PolarHBondContact O-N 3.24Å; E449-A452 PolarHBondContact O-N 2.63Å; E449-A453 WeakPolarHBondContact O-CB 3.45Å; E449-A453 PolarHBondContact O-N 3.04Å
450	A	91.2	Very high	84.3	Confident	60 Å²	60	111.1 Å²	111.1	50%	0.496	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-45.3	172.7	0	0	0	0	0	112.4	E446 A453 Q454	E446-A450 VanDerWaalsContact O-CB 3.31Å; E446-A450 WeakPolarHBondContact O-CB 3.31Å; E446-A450 PolarHBondContact O-N 3.19Å; A450-A453 PolarHBondContact O-N 3.38Å; A450-Q454 WeakPolarHBondContact O-CB 3.26Å; A450-Q454 PolarHBondContact O-N 2.94Å
451	L	90.2	Very high	84.3	Confident	103 Å²	103	110.1 Å²	110.1	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-41	175.3	-73.8	168.9	0	0	0	112.1	E447 Q448 Q454 L455	E447-L451 VanDerWaalsContact O-CG 3.29Å; E447-L451 WeakPolarHBondContact O-CG 3.49Å; E447-L451 PolarHBondContact O-N 2.79Å; Q448-L451 PolarHBondContact O-N 2.85Å; L451-Q454 PolarHBondContact O-N 3.22Å; L451-L455 WeakPolarHBondContact O-CG 3.43Å; L451-L455 PolarHBondContact O-N 2.92Å
452	A	85.3	Confident	84	Confident	59 Å²	59	109.9 Å²	109.9	49%	0.488	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-42.8	176	0	0	0	0	0	111.9	Q448 E449 L455 L456	Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.43Å; E449-A452 PolarHBondContact O-N 2.63Å; A452-L455 PolarHBondContact O-N 2.9Å; A452-L456 WeakPolarHBondContact O-CB 3.34Å; A452-L456 PolarHBondContact O-N 2.99Å
453	A	87.8	Confident	83.2	Confident	58 Å²	58	109.3 Å²	109.3	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.6	0	0	0	0	0	112.3	E449 A450 L456 R457	E449-A453 WeakPolarHBondContact O-CB 3.45Å; E449-A453 PolarHBondContact O-N 3.04Å; A450-A453 PolarHBondContact O-N 3.38Å; A453-L456 PolarHBondContact O-N 3.36Å; A453-R457 WeakPolarHBondContact O-CB 3.45Å; A453-R457 PolarHBondContact O-N 3.29Å
454	Q	91.4	Very high	81.5	Confident	125 Å²	125	106.4 Å²	106.4	58%	0.584	55%	0.552	S	S	*	*	H	α-helix	trans	-61.6	-47.5	174.6	-177.6	177.6	-7.2	0	0	111.7	A450 L451 L456 R457 Q458	A450-Q454 WeakPolarHBondContact O-CB 3.26Å; A450-Q454 PolarHBondContact O-N 2.94Å; L451-Q454 PolarHBondContact O-N 3.22Å; Q454-L456 VanDerWaalsContact C-N 3.35Å; Q454-L456 PolarHBondContact O-N 3.23Å; Q454-R457 PolarHBondContact O-N 3.11Å; Q454-Q458 PolarHBondContact O-N 3.45Å
455	L	88.8	Confident	80.1	Confident	93 Å²	93	110 Å²	110	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-37	177.8	-71.5	171.2	0	0	0	112.5	L451 A452 Q458 R459	L451-L455 WeakPolarHBondContact O-CG 3.43Å; L451-L455 PolarHBondContact O-N 2.92Å; A452-L455 PolarHBondContact O-N 2.9Å; L455-Q458 PolarHBondContact O-N 2.84Å; L455-R459 WeakPolarHBondContact O-CG 3.48Å; L455-R459 PolarHBondContact O-N 3.27Å
456	L	85.9	Confident	78.3	Confident	98 Å²	98	116.5 Å²	116.5	51%	0.513	59%	0.586	S	S	.	*	H	α-helix	trans	-64.8	-46	174.1	-179.8	60.8	0	0	0	111.3	A452 A453 Q454 Q458 R459 L460	A452-L456 WeakPolarHBondContact O-CB 3.34Å; A452-L456 PolarHBondContact O-N 2.99Å; A453-L456 PolarHBondContact O-N 3.36Å; Q454-L456 VanDerWaalsContact C-N 3.35Å; Q454-L456 PolarHBondContact O-N 3.23Å; L456-Q458 VanDerWaalsContact C-N 3.3Å; L456-Q458 PolarHBondContact O-N 2.8Å; L456-R459 PolarHBondContact O-N 3.25Å; L456-L460 HydrophobicContact CD1-CD1 4.4Å; L456-L460 HydrophobicContact CG-CD1 4.22Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 2.84Å; L456-L460 VanDerWaalsContact O-N 3.13Å
457	R	85.4	Confident	76.1	Confident	203 Å²	203	115.4 Å²	115.4	77%	0.766	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-37.6	177	-169.9	176.3	-173.4	172.3	2.7	112.1	A453 Q454 S461	A453-R457 WeakPolarHBondContact O-CB 3.45Å; A453-R457 PolarHBondContact O-N 3.29Å; Q454-R457 PolarHBondContact O-N 3.11Å; R457-S461 PolarHBondContact O-N 2.96Å; R457-S461 VanDerWaalsContact O-N 3.16Å
458	Q	85.3	Confident	74.2	Confident	105 Å²	105	116.9 Å²	116.9	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-62.6	-51.9	175.4	-174.6	174.2	-5.8	0	0	111.5	Q454 L455 L456 L460 S461 D462	Q454-Q458 PolarHBondContact O-N 3.45Å; L455-Q458 PolarHBondContact O-N 2.84Å; L456-Q458 VanDerWaalsContact C-N 3.3Å; L456-Q458 PolarHBondContact O-N 2.8Å; Q458-L460 VanDerWaalsContact C-N 3.31Å; Q458-L460 PolarHBondContact O-N 3.28Å; Q458-S461 WeakPolarHBondContact O-CA 3.46Å; Q458-S461 WeakPolarHBondContact O-CB 3.47Å; Q458-S461 PolarHBondContact O-N 3.5Å; Q458-S461 PolarHBondContact O-OG 2.89Å; Q458-D462 PolarHBondContact O-N 3.34Å
459	R	80.8	Confident	72.2	Confident	168 Å²	168	117.3 Å²	117.3	63%	0.634	61%	0.612	S	S	*	*	H	α-helix	trans	-54.6	-46.2	177.7	-66.7	179.7	-152.9	169.6	6.8	112.2	L455 L456 S461 D462 E463	L455-R459 WeakPolarHBondContact O-CG 3.48Å; L455-R459 PolarHBondContact O-N 3.27Å; L456-R459 PolarHBondContact O-N 3.25Å; R459-S461 PolarHBondContact O-N 2.92Å; R459-D462 PolarHBondContact O-N 3.13Å; R459-D462 VanDerWaalsContact O-N 3.12Å; R459-E463 PolarHBondContact O-N 2.83Å
460	L	77.8	Confident	70.1	Confident	122 Å²	122	117.5 Å²	117.5	64%	0.639	62%	0.622	S	S	*	*	H	α-helix	trans	-62.3	-27.8	178.2	-66.9	170.5	0	0	0	112.8	L456 Q458	L456-L460 HydrophobicContact CD1-CD1 4.4Å; L456-L460 HydrophobicContact CG-CD1 4.22Å; L456-L460 WeakPolarHBondContact O-CG 3.43Å; L456-L460 PolarHBondContact O-N 2.84Å; L456-L460 VanDerWaalsContact O-N 3.13Å; Q458-L460 VanDerWaalsContact C-N 3.31Å; Q458-L460 PolarHBondContact O-N 3.28Å
461	S	73.9	Confident	67.5	Low	60 Å²	60	121 Å²	121	42%	0.42	63%	0.628	S	S	.	*	H	α-helix	trans	-82.9	-20.8	175.5	77	0	0	0	0	114.7	R457 Q458 R459	R457-S461 PolarHBondContact O-N 2.96Å; R457-S461 VanDerWaalsContact O-N 3.16Å; Q458-S461 WeakPolarHBondContact O-CA 3.46Å; Q458-S461 WeakPolarHBondContact O-CB 3.47Å; Q458-S461 PolarHBondContact O-N 3.5Å; Q458-S461 PolarHBondContact O-OG 2.89Å; R459-S461 PolarHBondContact O-N 2.92Å
462	D	66.9	Low	65	Low	85 Å²	85	121.4 Å²	121.4	46%	0.455	63%	0.634	S	S	.	*	H	α-helix	trans	-87	-39.5	175.5	-69.7	-36.4	0	0	0	111.3	Q458 R459 G464 K465	Q458-D462 PolarHBondContact O-N 3.34Å; R459-D462 PolarHBondContact O-N 3.13Å; R459-D462 VanDerWaalsContact O-N 3.12Å; D462-G464 VanDerWaalsContact C-N 3.26Å; D462-G464 PolarHBondContact O-N 3.23Å; D462-K465 PolarHBondContact O-N 3.42Å
463	E	59.4	Low	62.5	Low	148 Å²	148	125.7 Å²	125.7	69%	0.692	64%	0.644	S	S	*	*	H	α-helix	trans	-59.4	-38.4	174.8	-152.4	70.7	-126.5	0	0	111.5	R459 K465 R466	R459-E463 PolarHBondContact O-N 2.83Å; E463-K465 PolarHBondContact O-N 3.15Å; E463-R466 PolarHBondContact O-N 3.02Å
464	G	54.7	Low	60.1	Low	69 Å²	69	128.5 Å²	128.5	71%	0.711	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.2	177.4	0	0	0	0	0	116	D462	D462-G464 VanDerWaalsContact C-N 3.26Å; D462-G464 PolarHBondContact O-N 3.23Å
465	K	53.7	Low	57.3	Low	168 Å²	168	133.5 Å²	133.5	73%	0.73	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	4.4	-179.1	-67.4	174.3	-175.6	160.7	0	114.5	D462 E463	D462-K465 PolarHBondContact O-N 3.42Å; E463-K465 PolarHBondContact O-N 3.15Å
466	R	48.2	Very low	54.7	Low	222 Å²	222	134.9 Å²	134.9	84%	0.838	68%	0.68	S	S	*	*			trans	-131.9	82.3	-166.9	-160.8	178.9	-169.5	170.3	4.2	116.3	E463	E463-R466 PolarHBondContact O-N 3.02Å
467	S	40.7	Very low	52.2	Low	113 Å²	113	135.8 Å²	135.8	79%	0.79	69%	0.692	S	S	*	*			trans	-157.7	164.7	153.6	76.8	0	0	0	0	109.8
468	P	51.3	Low	50.1	Low	119 Å²	119	134.4 Å²	134.4	77%	0.773	70%	0.699	S	S	*	*			cis	-129.7	-179.2	6	42	-26.9	0	0	0	115.7
469	H	37	Very low	47.8	Very low	154 Å²	154	136.3 Å²	136.3	71%	0.713	71%	0.708	S	S	*	*			trans	65.2	100.4	154.1	-126.9	-42.1	0	0	0	119.5	E471	H469-E471 IonicContact CE1-OE2 2.72Å
470	V	37.1	Very low	45.8	Very low	135 Å²	135	136.5 Å²	136.5	82%	0.818	71%	0.713	S	S	*	*			trans	-135.5	114.5	138.5	-174.2	0	0	0	0	107.4	V472	V470-V472 HydrophobicContact CG1-CG2 3.75Å
471	E	37	Very low	43.9	Very low	135 Å²	135	139.8 Å²	139.8	63%	0.631	73%	0.725	S	S	*	*			trans	-99.7	113.9	173.7	-178.1	174.3	-175.9	0	0	108.7	H469 H473	H469-E471 IonicContact CE1-OE2 2.72Å; E471-H473 IonicContact OE1-CE1 3.18Å; E471-H473 PolarHBondContact OE1-CE1 3.47Å; E471-H473 IonicContact OE1-ND1 2.71Å
472	V	37.3	Very low	42.1	Very low	111 Å²	111	142.8 Å²	142.8	67%	0.673	74%	0.741	S	S	*	*			trans	-106.1	91.5	-178	-170.4	0	0	0	0	110	V470 V474	V470-V472 HydrophobicContact CG1-CG2 3.75Å; V472-V474 HydrophobicContact CG1-CG2 4Å; V472-V474 PolarHBondContact O-N 3.46Å; V472-V474 VanDerWaalsContact O-N 3.1Å
473	H	32.9	Very low	40.8	Very low	149 Å²	149	144.7 Å²	144.7	69%	0.69	76%	0.758	S	S	*	*			trans	-66.7	102.5	167	-81	-5.3	0	0	0	110.9	E471	E471-H473 IonicContact OE1-CE1 3.18Å; E471-H473 PolarHBondContact OE1-CE1 3.47Å; E471-H473 IonicContact OE1-ND1 2.71Å
474	V	35.8	Very low	39.6	Very low	116 Å²	116	144.5 Å²	144.5	70%	0.703	76%	0.761	S	S	*	*			trans	-96	106.2	164.6	-176.2	0	0	0	0	108.9	V472 V476	V472-V474 HydrophobicContact CG1-CG2 4Å; V472-V474 PolarHBondContact O-N 3.46Å; V472-V474 VanDerWaalsContact O-N 3.1Å; V474-V476 HydrophobicContact CG1-CG2 4.31Å
475	R	34.4	Very low	38.7	Very low	231 Å²	231	147.6 Å²	147.6	87%	0.872	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.6	121.1	169.3	-67.5	-177.3	-179.7	176.1	0.7	109.3
476	V	32.9	Very low	37.8	Very low	122 Å²	122	148.9 Å²	148.9	74%	0.739	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-100.1	129	171.6	-177.6	0	0	0	0	108.8	V474	V474-V476 HydrophobicContact CG1-CG2 4.31Å
477	P	33.7	Very low	37.3	Very low	116 Å²	116	144 Å²	144	75%	0.753	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64	143.9	175.5	-22.9	34.5	0	0	0	113
478	L	41.6	Very low	37.5	Very low	174 Å²	174	145.6 Å²	145.6	91%	0.911	77%	0.765	S	S	*	*			trans	-95.8	111.5	178.4	-173.8	78.7	0	0	0	110.4
479	E	35.8	Very low	37.2	Very low	146 Å²	146	147.8 Å²	147.8	68%	0.682	77%	0.765	S	S	*	*			trans	-128.1	106.3	173.3	-81.3	-105.8	101.3	0	0	111.7
480	K	39.5	Very low	37.2	Very low	171 Å²	171	149 Å²	149	74%	0.743	77%	0.768	S	S	*	*			trans	55.4	117.5	145.6	-65.7	159.4	-172.8	141.2	0	119.6
481	E	38.4	Very low	37.5	Very low	191 Å²	191	148.4 Å²	148.4	89%	0.893	77%	0.767	S	S	*	*			trans	-65.4	149.4	171.8	-55.5	171.4	160.8	0	0	112.9
482	V	34.9	Very low	37.5	Very low	124 Å²	124	151.3 Å²	151.3	75%	0.752	78%	0.778	S	S	*	*			trans	-126.2	117.5	157.2	178.2	0	0	0	0	107.6	L484	V482-L484 PolarHBondContact O-N 2.93Å; V482-L484 VanDerWaalsContact O-N 3.1Å
483	P	40.1	Very low	37.4	Very low	124 Å²	124	151 Å²	151	81%	0.805	78%	0.78	S	S	*	*			trans	-78.3	99.7	-174.8	30.1	-34	0	0	0	111.1
484	L	35.4	Very low	37.8	Very low	144 Å²	144	149.8 Å²	149.8	75%	0.754	78%	0.783	S	S	*	*			trans	-100.3	125.7	162.4	-70.1	177.3	0	0	0	109.5	V482 F486	V482-L484 PolarHBondContact O-N 2.93Å; V482-L484 VanDerWaalsContact O-N 3.1Å; L484-F486 PolarHBondContact O-N 2.96Å; L484-F486 VanDerWaalsContact O-N 3.07Å
485	T	34.6	Very low	38.2	Very low	135 Å²	135	152.3 Å²	152.3	83%	0.828	79%	0.787	S	S	*	*			trans	-65.7	106.9	-179	49.1	0	0	0	0	110.6	V487	T485-V487 PolarHBondContact O-N 3.33Å
486	F	35.9	Very low	38.9	Very low	194 Å²	194	149.8 Å²	149.8	85%	0.851	79%	0.785	S	S	*	*			trans	-63.7	100.3	166.7	-86.7	-89.7	0	0	0	109.7	L484 I488	L484-F486 PolarHBondContact O-N 2.96Å; L484-F486 VanDerWaalsContact O-N 3.07Å; F486-I488 PolarHBondContact O-N 2.98Å
487	V	37.2	Very low	40	Very low	119 Å²	119	152.5 Å²	152.5	72%	0.721	79%	0.787	S	S	*	*			trans	-62.6	107.4	156.4	178.4	0	0	0	0	105.9	T485 E489	T485-V487 PolarHBondContact O-N 3.33Å; V487-E489 HydrophobicContact CG1-CG 4.05Å; V487-E489 PolarHBondContact O-N 3.48Å
488	I	45.7	Very low	41.7	Very low	147 Å²	147	151 Å²	151	75%	0.754	78%	0.777	S	S	*	*			trans	-74.5	74.8	171.2	-52.2	178.9	0	0	0	107.5	F486 K490	F486-I488 PolarHBondContact O-N 2.98Å; I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.31Å
489	E	44.7	Very low	43.2	Very low	166 Å²	166	147.2 Å²	147.2	78%	0.776	76%	0.755	S	S	*	*			trans	-59.4	104	150.1	-69	-151.8	154.6	0	0	106	V487 P491	V487-E489 HydrophobicContact CG1-CG 4.05Å; V487-E489 PolarHBondContact O-N 3.48Å; E489-P491 WeakPolarHBondContact O-CD 3.45Å
490	K	36.7	Very low	45.5	Very low	178 Å²	178	142.7 Å²	142.7	77%	0.774	73%	0.733	S	S	*	*			trans	-53	119.2	170	-67.4	-178.3	178.7	-177.6	0	106.4	I488 K492	I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.31Å; K490-K492 PolarHBondContact O-N 3.41Å
491	P	42.8	Very low	47.7	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	71%	0.707	S	S	*	*			trans	-57.4	120.2	176.8	23.3	-32.2	0	0	0	106.8	E489 S493	E489-P491 WeakPolarHBondContact O-CD 3.45Å; P491-S493 PolarHBondContact O-N 2.97Å
492	K	37.7	Very low	50.1	Low	197 Å²	197	135.5 Å²	135.5	86%	0.857	71%	0.705	S	S	*	*			trans	-59.1	113.4	171.7	-75.9	178.7	179.4	171.2	0	105.9	K490 V494	K490-K492 PolarHBondContact O-N 3.41Å; K492-V494 PolarHBondContact O-N 3.41Å
493	S	35	Very low	52.8	Low	104 Å²	104	130.6 Å²	130.6	73%	0.727	67%	0.674	S	S	*	*			trans	-56.1	103.9	169.5	47.5	0	0	0	0	107.2	P491 E495	P491-S493 PolarHBondContact O-N 2.97Å; S493-E495 PolarHBondContact O-N 2.87Å
494	V	41.5	Very low	55.3	Low	123 Å²	123	127.1 Å²	127.1	75%	0.745	65%	0.653	S	S	*	*			trans	-66.2	107.4	167.7	177.6	0	0	0	0	104.6	K492 E496	K492-V494 PolarHBondContact O-N 3.41Å; V494-E496 VanDerWaalsContact C-N 3.26Å; V494-E496 PolarHBondContact O-N 3.3Å
495	E	42.9	Very low	58.1	Low	169 Å²	169	128.6 Å²	128.6	79%	0.79	66%	0.656	S	S	*	*			trans	-65	92.4	173.1	-67.8	178.3	161.1	0	0	107.7	S493 K497	S493-E495 PolarHBondContact O-N 2.87Å; E495-K497 VanDerWaalsContact C-N 3.3Å; E495-K497 PolarHBondContact O-N 2.8Å
496	E	49.1	Very low	60.9	Low	179 Å²	179	129.9 Å²	129.9	84%	0.836	65%	0.652	S	S	*	*			trans	-63.3	95.7	170.4	-68.3	-163.4	159	0	0	107.9	V494	V494-E496 VanDerWaalsContact C-N 3.26Å; V494-E496 PolarHBondContact O-N 3.3Å
497	K	57.4	Low	63.7	Low	178 Å²	178	122 Å²	122	77%	0.774	62%	0.619	S	S	*	*			trans	-54.5	123.4	176.6	-70.4	-174	175.1	-174.6	0	108.5	E495 E499	E495-K497 VanDerWaalsContact C-N 3.3Å; E495-K497 PolarHBondContact O-N 2.8Å; K497-E499 PolarHBondContact O-N 3.37Å
498	P	69.2	Low	66.4	Low	85 Å²	85	118.9 Å²	118.9	55%	0.552	60%	0.596	S	S	*	*			trans	-57.1	141	-178.7	23.2	-33.9	0	0	0	110.1	F500 P501	P498-F500 PolarHBondContact O-N 3.37Å; P498-F500 VanDerWaalsContact O-N 3.09Å; P498-P501 WeakPolarHBondContact O-CD 3.47Å
499	E	72.2	Confident	68.7	Low	95 Å²	95	113.7 Å²	113.7	44%	0.444	58%	0.576	S	S	.	*	S	Bend	trans	-56.4	-31.1	-176.5	-173.4	171.6	-152.2	0	0	112.3	K497 T702	K497-E499 PolarHBondContact O-N 3.37Å; E499-T702 WeakPolarHBondContact OE1-CB 3.37Å; E499-T702 PolarHBondContact OE1-OG1 3.08Å
500	F	84.7	Confident	71.1	Confident	50 Å²	50	107.5 Å²	107.5	22%	0.219	55%	0.547	C	S	.	.	S	Bend	trans	-121	95.6	169.8	-50.9	-57.8	0	0	0	108.9	P498 E502 Y694 F703 H707 Y710 F711	P498-F500 PolarHBondContact O-N 3.37Å; P498-F500 VanDerWaalsContact O-N 3.09Å; F500-E502 PolarHBondContact O-N 2.9Å; F500-Y694 WeakPolarHBondContact CE1-OH 3.32Å; F500-F703 HydrophobicContact CZ-CB 4.29Å; F500-H707 AromaticContact CD2-CD2 3.98Å; F500-H707 AromaticContact CE2-CD2 3.69Å; F500-H707 AromaticContact CE2-NE2 3.7Å; F500-Y710 HydrophobicContact CB-CE1 3.9Å; F500-Y710 HydrophobicContact CD1-CE1 4.11Å; F500-Y710 HydrophobicContact CG-CE1 4.3Å; F500-F711 AromaticContact CD1-CE1 3.79Å; F500-F711 HydrophobicContact CD1-CE1 3.79Å; F500-F711 HydrophobicContact CD1-CZ 4.05Å; F500-F711 AromaticContact CE1-CE1 3.78Å; F500-F711 HydrophobicContact CE1-CE1 3.78Å; F500-F711 AromaticContact CE1-CZ 3.58Å; F500-F711 HydrophobicContact CE1-CZ 3.58Å; F500-F711 HydrophobicContact CZ-CZ 4.38Å
501	P	85.4	Confident	73.8	Confident	29 Å²	29	99.2 Å²	99.2	19%	0.188	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-60.3	127.2	172.1	-23.4	34.9	0	0	0	110.3	P498 Y710	P498-P501 WeakPolarHBondContact O-CD 3.47Å; P501-Y710 VanDerWaalsContact O-CE2 3.3Å; P501-Y710 WeakPolarHBondContact O-CE2 3.39Å; P501-Y710 PolarHBondContact O-OH 3.12Å
502	E	89.4	Confident	76.2	Confident	182 Å²	182	98.8 Å²	98.8	85%	0.85	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-62.4	144.7	173.5	-63.1	-172.6	160.2	0	0	110.1	F500	F500-E502 PolarHBondContact O-N 2.9Å
503	L	91.3	Very high	78.8	Confident	21 Å²	21	96.2 Å²	96.2	11%	0.11	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-81.3	128.7	174.9	-59.5	175	0	0	0	107.6	M507 E508 Y710 R713 R714 L725	L503-M507 HydrophobicContact CB-CB 4.28Å; L503-M507 HydrophobicContact CD2-CE 3.69Å; L503-E508 HydrophobicContact CB-CG 3.74Å; L503-E508 HydrophobicContact CD1-CG 4.38Å; L503-Y710 HydrophobicContact CG-CE2 4.18Å; L503-R713 HydrophobicContact CD1-CB 3.95Å; L503-R714 HydrophobicContact CD1-CB 4.26Å; L503-R714 HydrophobicContact CD2-CB 4.13Å; L503-R714 HydrophobicContact CD2-CG 4.48Å; L503-L725 HydrophobicContact CD2-CD1 4.14Å
504	S	93.4	Very high	81.5	Confident	52 Å²	52	91.3 Å²	91.3	36%	0.364	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-67.9	162.5	175.3	76.2	0	0	0	0	110.9	E506 M507 E508	S504-E506 PolarHBondContact O-N 3.16Å; S504-M507 PolarHBondContact N-SD 3.4Å; S504-M507 WeakPolarHBondContact O-CB 3.39Å; S504-M507 PolarHBondContact O-N 3.05Å; S504-M507 VanDerWaalsContact OG-CG 3.31Å; S504-M507 WeakPolarHBondContact OG-CG 3.44Å; S504-M507 PolarHBondContact OG-N 3.15Å; S504-E508 PolarHBondContact O-N 2.79Å
505	E	93.4	Very high	83.9	Confident	175 Å²	175	86.9 Å²	86.9	82%	0.818	42%	0.421	S	S	*	.	H	α-helix	trans	-56.6	-35	175.9	-171.4	172.3	-167.8	0	0	112.1	A509	E505-A509 WeakPolarHBondContact O-CB 3.38Å; E505-A509 PolarHBondContact O-N 3.15Å
506	E	93.9	Very high	86.1	Confident	161 Å²	161	83.4 Å²	83.4	75%	0.752	41%	0.406	S	S	*	.	H	α-helix	trans	-63.9	-41.4	173.7	-58.5	-178.8	153.9	0	0	112.4	S504 E510	S504-E506 PolarHBondContact O-N 3.16Å; E506-E510 PolarHBondContact O-N 3.24Å
507	M	94.8	Very high	87.3	Confident	29 Å²	29	83.8 Å²	83.8	14%	0.143	40%	0.404	C	S	.	.	H	α-helix	trans	-71.4	-45.2	179.3	-62.2	165.8	78.1	0	0	111.4	L503 S504 A509 E510 V511 W717 L725	L503-M507 HydrophobicContact CB-CB 4.28Å; L503-M507 HydrophobicContact CD2-CE 3.69Å; S504-M507 PolarHBondContact N-SD 3.4Å; S504-M507 WeakPolarHBondContact O-CB 3.39Å; S504-M507 PolarHBondContact O-N 3.05Å; S504-M507 VanDerWaalsContact OG-CG 3.31Å; S504-M507 WeakPolarHBondContact OG-CG 3.44Å; S504-M507 PolarHBondContact OG-N 3.15Å; M507-A509 VanDerWaalsContact C-N 3.31Å; M507-A509 PolarHBondContact O-N 3.18Å; M507-E510 WeakPolarHBondContact O-CB 3.47Å; M507-E510 PolarHBondContact O-N 3.25Å; M507-E510 VanDerWaalsContact O-N 3.15Å; M507-V511 WeakPolarHBondContact O-CG2 3.37Å; M507-V511 PolarHBondContact O-N 2.83Å; M507-W717 HydrophobicContact CB-CG 4.32Å; M507-W717 HydrophobicContact CE-CD2 3.51Å; M507-W717 HydrophobicContact CE-CE3 3.71Å; M507-W717 HydrophobicContact CE-CG 4.03Å; M507-W717 HydrophobicContact CE-CH2 4.2Å; M507-W717 HydrophobicContact CE-CZ2 4.02Å; M507-W717 HydrophobicContact CE-CZ3 4.06Å; M507-W717 HydrophobicContact CG-CD2 4.47Å; M507-W717 HydrophobicContact CG-CZ2 4.45Å; M507-L725 HydrophobicContact CE-CD1 3.71Å; M507-L725 HydrophobicContact CE-CD2 4.4Å
508	E	94	Very high	88.2	Confident	53 Å²	53	79.1 Å²	79.1	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-64.6	-36	174.8	-70.5	-78.5	-151.7	0	0	111.1	L503 S504 E510 V511 H512 R713	L503-E508 HydrophobicContact CB-CG 3.74Å; L503-E508 HydrophobicContact CD1-CG 4.38Å; S504-E508 PolarHBondContact O-N 2.79Å; E508-E510 VanDerWaalsContact C-N 3.32Å; E508-E510 PolarHBondContact O-N 2.71Å; E508-V511 PolarHBondContact O-N 3.34Å; E508-H512 VanDerWaalsContact O-CB 3.3Å; E508-H512 WeakPolarHBondContact O-CB 3.31Å; E508-H512 PolarHBondContact O-N 2.95Å; E508-R713 VanDerWaalsContact CD-NE 3.27Å; E508-R713 IonicContact OE1-CZ 2.72Å; E508-R713 IonicContact OE1-NE 3.19Å; E508-R713 PolarHBondContact OE1-NE 2.93Å; E508-R713 IonicContact OE1-NH2 2.67Å; E508-R713 PolarHBondContact OE1-NH2 2.83Å; E508-R713 VanDerWaalsContact OE2-CD 3.28Å; E508-R713 WeakPolarHBondContact OE2-CD 3.36Å; E508-R713 IonicContact OE2-NE 2.63Å; E508-R713 PolarHBondContact OE2-NE 2.81Å
509	A	94.1	Very high	88.8	Confident	39 Å²	39	76.1 Å²	76.1	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-34.7	172.5	0	0	0	0	0	112.4	E505 M507 R513	E505-A509 WeakPolarHBondContact O-CB 3.38Å; E505-A509 PolarHBondContact O-N 3.15Å; M507-A509 VanDerWaalsContact C-N 3.31Å; M507-A509 PolarHBondContact O-N 3.18Å; A509-R513 VanDerWaalsContact C-NH1 3.28Å; A509-R513 VanDerWaalsContact O-CG 3.29Å; A509-R513 WeakPolarHBondContact O-CG 3.39Å; A509-R513 PolarHBondContact O-N 3.18Å; A509-R513 PolarHBondContact O-NH1 3Å; A509-R513 VanDerWaalsContact O-NH1 3.17Å
510	E	94.3	Very high	89.8	Confident	36 Å²	36	76.1 Å²	76.1	17%	0.168	40%	0.395	C	S	.	.	H	α-helix	trans	-67.2	-48.6	173.1	-169.1	-175.7	166.7	0	0	112	E506 M507 E508 H512 R513 A514 W717 M720 N721	E506-E510 PolarHBondContact O-N 3.24Å; M507-E510 WeakPolarHBondContact O-CB 3.47Å; M507-E510 PolarHBondContact O-N 3.25Å; M507-E510 VanDerWaalsContact O-N 3.15Å; E508-E510 VanDerWaalsContact C-N 3.32Å; E508-E510 PolarHBondContact O-N 2.71Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.71Å; E510-R513 VanDerWaalsContact CA-NH2 3.35Å; E510-R513 PolarHBondContact O-N 2.94Å; E510-R513 VanDerWaalsContact O-N 3.16Å; E510-A514 PolarHBondContact O-N 3.12Å; E510-W717 VanDerWaalsContact OE2-CD1 3.23Å; E510-W717 PolarHBondContact OE2-NE1 3.18Å; E510-M720 HydrophobicContact CG-CE 3.64Å; E510-M720 HydrophobicContact CG-SD 4.2Å; E510-M720 WeakPolarHBondContact OE1-CE 3.35Å; E510-N721 PolarHBondContact OE1-ND2 3.05Å; E510-N721 PolarHBondContact OE2-ND2 3.06Å
511	V	94.4	Very high	90.1	Very high	3 Å²	3	76.5 Å²	76.5	2%	0.018	40%	0.402	C	S	.	.	H	α-helix	trans	-56.4	-44.6	174	171.6	0	0	0	0	110.9	M507 E508 A514 L515 R713 V716 W717	M507-V511 WeakPolarHBondContact O-CG2 3.37Å; M507-V511 PolarHBondContact O-N 2.83Å; E508-V511 PolarHBondContact O-N 3.34Å; V511-A514 PolarHBondContact O-N 3.16Å; V511-L515 HydrophobicContact CG1-CD1 3.85Å; V511-L515 HydrophobicContact CG1-CG 4.37Å; V511-L515 WeakPolarHBondContact O-CB 3.34Å; V511-L515 WeakPolarHBondContact O-CG 3.38Å; V511-L515 PolarHBondContact O-N 3.26Å; V511-R713 HydrophobicContact CG1-CB 3.94Å; V511-R713 HydrophobicContact CG1-CG 4.15Å; V511-R713 WeakPolarHBondContact CG2-O 3.46Å; V511-V716 HydrophobicContact CB-CG1 4.36Å; V511-V716 HydrophobicContact CG1-CB 4.09Å; V511-V716 HydrophobicContact CG1-CG1 4.15Å; V511-V716 HydrophobicContact CG1-CG2 4.44Å; V511-V716 HydrophobicContact CG2-CB 4.16Å; V511-V716 HydrophobicContact CG2-CG1 4.2Å; V511-W717 HydrophobicContact CG2-CB 3.81Å
512	H	92.9	Very high	90.5	Very high	115 Å²	115	81.7 Å²	81.7	53%	0.532	42%	0.424	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.9	-172.6	-108.3	0	0	0	111.7	E508 E510 A514 L515 M516	E508-H512 VanDerWaalsContact O-CB 3.3Å; E508-H512 WeakPolarHBondContact O-CB 3.31Å; E508-H512 PolarHBondContact O-N 2.95Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 2.71Å; H512-A514 VanDerWaalsContact C-N 3.27Å; H512-A514 PolarHBondContact O-N 3.13Å; H512-L515 PolarHBondContact O-N 3.3Å; H512-M516 WeakPolarHBondContact O-CG 3.46Å; H512-M516 PolarHBondContact O-N 3.33Å
513	R	92.6	Very high	90.8	Very high	142 Å²	142	76.3 Å²	76.3	54%	0.536	40%	0.399	S	S	.	.	H	α-helix	trans	-58.9	-34.6	175.1	-75.7	-174.3	-52.8	-89.6	7.2	112.8	A509 E510 R535	A509-R513 VanDerWaalsContact C-NH1 3.28Å; A509-R513 VanDerWaalsContact O-CG 3.29Å; A509-R513 WeakPolarHBondContact O-CG 3.39Å; A509-R513 PolarHBondContact O-N 3.18Å; A509-R513 PolarHBondContact O-NH1 3Å; A509-R513 VanDerWaalsContact O-NH1 3.17Å; E510-R513 VanDerWaalsContact CA-NH2 3.35Å; E510-R513 PolarHBondContact O-N 2.94Å; E510-R513 VanDerWaalsContact O-N 3.16Å; R513-R535 PolarHBondContact O-NH1 3.3Å
514	A	91.4	Very high	91	Very high	2 Å²	2	79 Å²	79	2%	0.017	42%	0.416	C	S	.	.	H	α-helix	trans	-74.1	-44	176.4	0	0	0	0	0	112.8	E510 V511 H512 M516 L525 R535 L538 V716 M720	E510-A514 PolarHBondContact O-N 3.12Å; V511-A514 PolarHBondContact O-N 3.16Å; H512-A514 VanDerWaalsContact C-N 3.27Å; H512-A514 PolarHBondContact O-N 3.13Å; A514-M516 VanDerWaalsContact C-N 3.28Å; A514-M516 PolarHBondContact O-N 2.94Å; A514-L525 HydrophobicContact CB-CD1 4.16Å; A514-R535 PolarHBondContact O-NH1 3.06Å; A514-L538 HydrophobicContact CB-CD1 4.31Å; A514-V716 HydrophobicContact CB-CG1 3.85Å; A514-M720 HydrophobicContact CB-CE 4.04Å; A514-M720 HydrophobicContact CB-SD 3.44Å; A514-M720 WeakPolarHBondContact CB-SD 3.45Å
515	L	91.9	Very high	91.1	Very high	30 Å²	30	78.4 Å²	78.4	16%	0.157	41%	0.408	C	S	.	.	H	α-helix	trans	-77.5	-7.4	-178.6	-64.8	-178.4	0	0	0	114.4	V511 H512 K517 L538 V716	V511-L515 HydrophobicContact CG1-CD1 3.85Å; V511-L515 HydrophobicContact CG1-CG 4.37Å; V511-L515 WeakPolarHBondContact O-CB 3.34Å; V511-L515 WeakPolarHBondContact O-CG 3.38Å; V511-L515 PolarHBondContact O-N 3.26Å; H512-L515 PolarHBondContact O-N 3.3Å; L515-K517 PolarHBondContact O-N 3.4Å; L515-L538 WeakPolarHBondContact CD2-O 3.17Å; L515-V716 HydrophobicContact CD1-CG2 4.27Å; L515-V716 HydrophobicContact CD2-CG2 3.94Å; L515-V716 HydrophobicContact CG-CG2 4.23Å
516	M	87.6	Confident	91.2	Very high	96 Å²	96	70.5 Å²	70.5	47%	0.473	37%	0.372	S	S	.	.			trans	-48.8	124.3	176.1	-90.2	-63.2	-153.4	0	0	112.8	H512 A514 G518 Q539	H512-M516 WeakPolarHBondContact O-CG 3.46Å; H512-M516 PolarHBondContact O-N 3.33Å; A514-M516 VanDerWaalsContact C-N 3.28Å; A514-M516 PolarHBondContact O-N 2.94Å; M516-G518 VanDerWaalsContact C-N 3.26Å; M516-G518 PolarHBondContact O-N 3.48Å; M516-Q539 PolarHBondContact O-NE2 3.17Å; M516-Q539 VanDerWaalsContact O-NE2 3.16Å
517	K	75.3	Confident	91.4	Very high	186 Å²	186	69.1 Å²	69.1	81%	0.809	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.7	179.9	-67.3	-174.6	177.1	-177.9	0	114.5	L515	L515-K517 PolarHBondContact O-N 3.4Å
518	G	76.5	Confident	91.3	Very high	81 Å²	81	68.4 Å²	68.4	84%	0.835	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-2.4	-179.2	0	0	0	0	0	115.8	M516	M516-G518 VanDerWaalsContact C-N 3.26Å; M516-G518 PolarHBondContact O-N 3.48Å
519	G	82.4	Confident	91.3	Very high	22 Å²	22	69.8 Å²	69.8	23%	0.227	37%	0.371	C	S	.	.	S	Bend	trans	-80.9	164.1	175.3	0	0	0	0	0	112.6	P521	G519-P521 WeakPolarHBondContact O-CD 3.5Å
520	N	91.3	Very high	91.2	Very high	94 Å²	94	71.7 Å²	71.7	50%	0.503	40%	0.395	S	S	.	.			trans	-64.4	120.5	178.2	172.5	4.6	0	0	0	110.1	H522 E523 R535	N520-H522 PolarHBondContact O-N 3.47Å; N520-H522 VanDerWaalsContact O-N 3.12Å; N520-H522 PolarHBondContact OD1-N 3.41Å; N520-E523 HydrophobicContact CB-CB 4.13Å; N520-E523 WeakPolarHBondContact O-CB 3.44Å; N520-E523 PolarHBondContact O-N 2.97Å; N520-E523 VanDerWaalsContact O-N 3.13Å; N520-R535 WeakPolarHBondContact O-CB 3.19Å; N520-R535 WeakPolarHBondContact O-CD 3.27Å
521	P	91.9	Very high	91.2	Very high	58 Å²	58	71.7 Å²	71.7	38%	0.377	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	-178.1	-25.9	35.6	0	0	0	114.5	G519 T534 K536	G519-P521 WeakPolarHBondContact O-CD 3.5Å; P521-T534 WeakPolarHBondContact O-CB 3.36Å; P521-T534 PolarHBondContact O-OG1 3.41Å; P521-K536 HydrophobicContact CB-CB 4.24Å; P521-K536 WeakPolarHBondContact O-CB 3.16Å; P521-K536 PolarHBondContact O-N 3.12Å
522	H	94.1	Very high	91.3	Very high	138 Å²	138	74.1 Å²	74.1	64%	0.639	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.7	-177.4	-58.7	-73.2	0	0	0	113.8	N520 V524	N520-H522 PolarHBondContact O-N 3.47Å; N520-H522 VanDerWaalsContact O-N 3.12Å; N520-H522 PolarHBondContact OD1-N 3.41Å; H522-V524 PolarHBondContact O-N 3.02Å
523	E	95.2	Very high	91.5	Very high	70 Å²	70	68.6 Å²	68.6	33%	0.327	39%	0.387	S	S	.	.			trans	-65	120.5	171	-175.3	-174.6	167.2	0	0	109.8	N520 L525 T534 R535	N520-E523 HydrophobicContact CB-CB 4.13Å; N520-E523 WeakPolarHBondContact O-CB 3.44Å; N520-E523 PolarHBondContact O-N 2.97Å; N520-E523 VanDerWaalsContact O-N 3.13Å; E523-L525 HydrophobicContact CG-CD2 3.87Å; E523-L525 PolarHBondContact O-N 3.38Å; E523-L525 WeakPolarHBondContact OE1-CD2 3.34Å; E523-T534 CarbonylContact O-C 3.59Å; E523-T534 WeakPolarHBondContact O-CA 3.44Å; E523-R535 HydrophobicContact CB-CB 4.43Å; E523-R535 PolarHBondContact O-N 3.18Å; E523-R535 IonicContact OE1-CZ 2.75Å; E523-R535 IonicContact OE1-NH2 3.03Å; E523-R535 PolarHBondContact OE1-NH2 2.8Å; E523-R535 IonicContact OE2-CZ 2.67Å; E523-R535 IonicContact OE2-NE 3.2Å; E523-R535 PolarHBondContact OE2-NE 2.71Å; E523-R535 IonicContact OE2-NH2 2.79Å; E523-R535 PolarHBondContact OE2-NH2 3.35Å
524	V	96.6	Very high	91.7	Very high	78 Å²	78	63 Å²	63	47%	0.473	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.7	172.9	179.3	0	0	0	0	108.6	H522 E527 L533 T534	H522-V524 PolarHBondContact O-N 3.02Å; V524-E527 HydrophobicContact CG1-CB 4.28Å; V524-L533 CarbonylContact C-O 3.55Å; V524-L533 WeakPolarHBondContact CA-O 3.48Å; V524-T534 HydrophobicContact CG2-CG2 4.5Å
525	L	95.2	Very high	91.9	Very high	39 Å²	39	63.9 Å²	63.9	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-18.2	-178	-65.9	-176	0	0	0	113.2	A514 E523 L533 R535 L538	A514-L525 HydrophobicContact CB-CD1 4.16Å; E523-L525 HydrophobicContact CG-CD2 3.87Å; E523-L525 PolarHBondContact O-N 3.38Å; E523-L525 WeakPolarHBondContact OE1-CD2 3.34Å; L525-L533 PolarHBondContact N-O 2.76Å; L525-R535 HydrophobicContact CD1-CB 3.77Å; L525-R535 HydrophobicContact CD1-CG 4.02Å; L525-R535 HydrophobicContact CG-CB 4.2Å; L525-L538 HydrophobicContact CB-CD1 3.84Å; L525-L538 HydrophobicContact CD1-CD1 3.86Å
526	S	95.6	Very high	92.1	Very high	8 Å²	8	68.5 Å²	68.5	6%	0.056	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.9	172.9	-172.6	0	0	0	0	109.9	L533 F554 I719 H722	S526-L533 PolarHBondContact N-O 3.02Å; S526-L533 PolarHBondContact O-N 3.05Å; S526-F554 WeakPolarHBondContact OG-CZ 3.44Å; S526-I719 WeakPolarHBondContact CB-O 3.45Å; S526-I719 PolarHBondContact OG-O 3.18Å; S526-H722 PolarHBondContact OG-CD2 3.39Å; S526-H722 PolarHBondContact OG-NE2 3.01Å
527	E	96.7	Very high	92.5	Very high	132 Å²	132	64.9 Å²	64.9	62%	0.617	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.1	177.1	178.6	164.7	-119.7	0	0	109.8	V524 L531 S532 H722	V524-E527 HydrophobicContact CG1-CB 4.28Å; E527-L531 WeakPolarHBondContact CA-O 3.3Å; E527-S532 PolarHBondContact OE1-OG 3.02Å; E527-H722 PolarHBondContact O-CE1 3.1Å; E527-H722 PolarHBondContact O-NE2 3.3Å
528	G	93.8	Very high	93.5	Very high	15 Å²	15	56 Å²	56	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	153.3	-172.4	0	0	0	0	0	112	G530 L531	G528-G530 PolarHBondContact O-N 3.01Å; G528-L531 PolarHBondContact N-O 3.39Å; G528-L531 PolarHBondContact O-N 3.05Å
529	F	93.4	Very high	94.5	Very high	81 Å²	81	54.2 Å²	54.2	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	10	178.6	-43.2	-72.2	0	0	0	116	F554 N557 L558 E561	F529-F554 HydrophobicContact CD2-CD2 4.44Å; F529-F554 HydrophobicContact CD2-CE1 4.43Å; F529-F554 HydrophobicContact CD2-CE2 4.22Å; F529-F554 HydrophobicContact CD2-CZ 4.21Å; F529-F554 HydrophobicContact CE2-CD1 4.48Å; F529-F554 HydrophobicContact CE2-CE1 4.07Å; F529-F554 HydrophobicContact CE2-CZ 4.12Å; F529-N557 HydrophobicContact CB-CB 3.96Å; F529-N557 HydrophobicContact CD1-CB 3.91Å; F529-N557 HydrophobicContact CD2-CB 3.58Å; F529-N557 HydrophobicContact CE1-CB 4.34Å; F529-N557 HydrophobicContact CE2-CB 4.05Å; F529-N557 HydrophobicContact CG-CB 3.51Å; F529-N557 HydrophobicContact CZ-CB 4.41Å; F529-L558 HydrophobicContact CE2-CD2 3.75Å; F529-L558 HydrophobicContact CE2-CG 4.12Å; F529-L558 HydrophobicContact CZ-CD2 3.86Å; F529-L558 HydrophobicContact CZ-CG 4.47Å; F529-E561 HydrophobicContact CE1-CB 3.93Å; F529-E561 HydrophobicContact CE1-CG 4.15Å; F529-E561 HydrophobicContact CZ-CB 4.08Å; F529-E561 HydrophobicContact CZ-CG 4.39Å
530	G	92.6	Very high	95.2	Very high	79 Å²	79	54.2 Å²	54.2	81%	0.814	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	16.7	-171	0	0	0	0	0	114.1	G528	G528-G530 PolarHBondContact O-N 3.01Å
531	L	94.4	Very high	95.4	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.194	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144	174.5	-53.2	174.8	0	0	0	109.1	E527 G528 N553 F554	E527-L531 WeakPolarHBondContact CA-O 3.3Å; G528-L531 PolarHBondContact N-O 3.39Å; G528-L531 PolarHBondContact O-N 3.05Å; L531-N553 HydrophobicContact CD1-CB 3.8Å; L531-F554 HydrophobicContact CB-CD2 4.09Å; L531-F554 HydrophobicContact CD1-CB 4.33Å; L531-F554 HydrophobicContact CD1-CD2 4.4Å
532	S	96.1	Very high	95.5	Very high	53 Å²	53	47.9 Å²	47.9	37%	0.371	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	101.3	-178.6	-41.1	0	0	0	0	108.7	E527	E527-S532 PolarHBondContact OE1-OG 3.02Å
533	L	96.9	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.8	-176.8	-76.2	173.3	0	0	0	111.6	V524 L525 S526 D537 L538 E550 V551 F554 I719	V524-L533 CarbonylContact C-O 3.55Å; V524-L533 WeakPolarHBondContact CA-O 3.48Å; L525-L533 PolarHBondContact N-O 2.76Å; S526-L533 PolarHBondContact N-O 3.02Å; S526-L533 PolarHBondContact O-N 3.05Å; L533-D537 HydrophobicContact CD2-CB 3.71Å; L533-L538 HydrophobicContact CB-CD2 4.41Å; L533-L538 HydrophobicContact CD1-CD2 4.08Å; L533-E550 HydrophobicContact CD2-CB 3.7Å; L533-V551 HydrophobicContact CD2-CG2 4.14Å; L533-F554 HydrophobicContact CD1-CB 3.64Å; L533-F554 HydrophobicContact CD1-CD1 3.99Å; L533-F554 HydrophobicContact CD1-CD2 3.55Å; L533-F554 HydrophobicContact CD1-CE2 4.17Å; L533-F554 HydrophobicContact CD1-CG 3.45Å; L533-F554 VanDerWaalsContact CD1-CG 3.45Å; L533-F554 HydrophobicContact CG-CB 4.31Å; L533-F554 HydrophobicContact CG-CD2 3.89Å; L533-F554 HydrophobicContact CG-CG 4.22Å; L533-I719 HydrophobicContact CD1-CG2 3.33Å
534	T	96.8	Very high	95.2	Very high	24 Å²	24	48.9 Å²	48.9	15%	0.147	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	165.9	176.1	72	0	0	0	0	112.4	P521 E523 V524 K536 D537 L538	P521-T534 WeakPolarHBondContact O-CB 3.36Å; P521-T534 PolarHBondContact O-OG1 3.41Å; E523-T534 CarbonylContact O-C 3.59Å; E523-T534 WeakPolarHBondContact O-CA 3.44Å; V524-T534 HydrophobicContact CG2-CG2 4.5Å; T534-K536 PolarHBondContact O-N 3.32Å; T534-K536 PolarHBondContact OG1-N 2.87Å; T534-D537 WeakPolarHBondContact CA-OD2 3.48Å; T534-D537 VanDerWaalsContact CB-OD2 3.31Å; T534-D537 WeakPolarHBondContact CB-OD2 3.39Å; T534-D537 PolarHBondContact N-OD2 3.13Å; T534-D537 WeakPolarHBondContact O-CB 3.44Å; T534-D537 PolarHBondContact O-N 2.83Å; T534-D537 VanDerWaalsContact OG1-CG 3.31Å; T534-D537 PolarHBondContact OG1-N 2.85Å; T534-D537 PolarHBondContact OG1-OD2 2.61Å; T534-L538 PolarHBondContact O-N 2.74Å
535	R	95.5	Very high	95.2	Very high	21 Å²	21	49.1 Å²	49.1	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-37.8	169.9	-174.8	175.8	-66.2	-84	6.7	112.6	R513 A514 N520 E523 L525 D537 L538 Q539	R513-R535 PolarHBondContact O-NH1 3.3Å; A514-R535 PolarHBondContact O-NH1 3.06Å; N520-R535 WeakPolarHBondContact O-CB 3.19Å; N520-R535 WeakPolarHBondContact O-CD 3.27Å; E523-R535 HydrophobicContact CB-CB 4.43Å; E523-R535 PolarHBondContact O-N 3.18Å; E523-R535 IonicContact OE1-CZ 2.75Å; E523-R535 IonicContact OE1-NH2 3.03Å; E523-R535 PolarHBondContact OE1-NH2 2.8Å; E523-R535 IonicContact OE2-CZ 2.67Å; E523-R535 IonicContact OE2-NE 3.2Å; E523-R535 PolarHBondContact OE2-NE 2.71Å; E523-R535 IonicContact OE2-NH2 2.79Å; E523-R535 PolarHBondContact OE2-NH2 3.35Å; L525-R535 HydrophobicContact CD1-CB 3.77Å; L525-R535 HydrophobicContact CD1-CG 4.02Å; L525-R535 HydrophobicContact CG-CB 4.2Å; R535-D537 VanDerWaalsContact C-N 3.3Å; R535-D537 PolarHBondContact O-N 3.47Å; R535-L538 PolarHBondContact O-N 3.06Å; R535-Q539 WeakPolarHBondContact O-CB 3.45Å; R535-Q539 VanDerWaalsContact O-CG 3.24Å; R535-Q539 WeakPolarHBondContact O-CG 3.44Å; R535-Q539 PolarHBondContact O-N 2.92Å
536	K	96	Very high	95.2	Very high	126 Å²	126	53.3 Å²	53.3	55%	0.548	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-38.9	174.1	-175.6	-171	174.2	-167.9	0	111.9	P521 T534 Q539	P521-K536 HydrophobicContact CB-CB 4.24Å; P521-K536 WeakPolarHBondContact O-CB 3.16Å; P521-K536 PolarHBondContact O-N 3.12Å; T534-K536 PolarHBondContact O-N 3.32Å; T534-K536 PolarHBondContact OG1-N 2.87Å; K536-Q539 PolarHBondContact O-N 3.17Å
537	D	97	Very high	95.3	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.112	29%	0.287	C	S	.	.	H	α-helix	trans	-70.4	-46.2	179.4	-53.1	-55.2	0	0	0	110.6	L533 T534 R535 Q539 T540 N548 V551	L533-D537 HydrophobicContact CD2-CB 3.71Å; T534-D537 WeakPolarHBondContact CA-OD2 3.48Å; T534-D537 VanDerWaalsContact CB-OD2 3.31Å; T534-D537 WeakPolarHBondContact CB-OD2 3.39Å; T534-D537 PolarHBondContact N-OD2 3.13Å; T534-D537 WeakPolarHBondContact O-CB 3.44Å; T534-D537 PolarHBondContact O-N 2.83Å; T534-D537 VanDerWaalsContact OG1-CG 3.31Å; T534-D537 PolarHBondContact OG1-N 2.85Å; T534-D537 PolarHBondContact OG1-OD2 2.61Å; R535-D537 VanDerWaalsContact C-N 3.3Å; R535-D537 PolarHBondContact O-N 3.47Å; D537-Q539 VanDerWaalsContact C-N 3.26Å; D537-Q539 PolarHBondContact O-N 3.35Å; D537-T540 VanDerWaalsContact O-CB 3.29Å; D537-T540 WeakPolarHBondContact O-CB 3.46Å; D537-T540 WeakPolarHBondContact O-CG2 3.12Å; D537-T540 PolarHBondContact O-N 3.46Å; D537-T540 PolarHBondContact O-OG1 2.93Å; D537-N548 PolarHBondContact OD1-ND2 3.16Å; D537-V551 HydrophobicContact CB-CG2 4.27Å; D537-V551 WeakPolarHBondContact O-CG2 3.43Å
538	L	96.5	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-31.2	175.3	-59.4	-165.3	0	0	0	112.4	A514 L515 L525 L533 T534 R535 T540 L541 V716 I719 M720	A514-L538 HydrophobicContact CB-CD1 4.31Å; L515-L538 WeakPolarHBondContact CD2-O 3.17Å; L525-L538 HydrophobicContact CB-CD1 3.84Å; L525-L538 HydrophobicContact CD1-CD1 3.86Å; L533-L538 HydrophobicContact CB-CD2 4.41Å; L533-L538 HydrophobicContact CD1-CD2 4.08Å; T534-L538 PolarHBondContact O-N 2.74Å; R535-L538 PolarHBondContact O-N 3.06Å; L538-T540 PolarHBondContact O-N 3.11Å; L538-T540 VanDerWaalsContact O-N 3.15Å; L538-L541 HydrophobicContact CD2-CD1 4.48Å; L538-L541 WeakPolarHBondContact O-CB 3.48Å; L538-L541 PolarHBondContact O-N 2.83Å; L538-V716 HydrophobicContact CD1-CG1 4.47Å; L538-I719 HydrophobicContact CD2-CG2 3.73Å; L538-M720 HydrophobicContact CD1-CG 3.98Å; L538-M720 HydrophobicContact CD1-SD 4.4Å
539	Q	96.2	Very high	95.5	Very high	43 Å²	43	50.2 Å²	50.2	20%	0.201	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.7	-17.8	172.6	-78	170.9	-1.3	0	0	113.4	M516 R535 K536 D537 L541 S542 N545	M516-Q539 PolarHBondContact O-NE2 3.17Å; M516-Q539 VanDerWaalsContact O-NE2 3.16Å; R535-Q539 WeakPolarHBondContact O-CB 3.45Å; R535-Q539 VanDerWaalsContact O-CG 3.24Å; R535-Q539 WeakPolarHBondContact O-CG 3.44Å; R535-Q539 PolarHBondContact O-N 2.92Å; K536-Q539 PolarHBondContact O-N 3.17Å; D537-Q539 VanDerWaalsContact C-N 3.26Å; D537-Q539 PolarHBondContact O-N 3.35Å; Q539-L541 PolarHBondContact O-N 3.43Å; Q539-S542 VanDerWaalsContact O-CB 3.24Å; Q539-S542 WeakPolarHBondContact O-CB 3.45Å; Q539-S542 PolarHBondContact O-N 2.83Å; Q539-S542 VanDerWaalsContact O-N 3.14Å; Q539-N545 PolarHBondContact O-ND2 2.87Å
540	T	96.8	Very high	95.7	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-67.4	-21.3	171.1	71.1	0	0	0	0	113.5	D537 L538 S542 N545 W546 N548 R712	D537-T540 VanDerWaalsContact O-CB 3.29Å; D537-T540 WeakPolarHBondContact O-CB 3.46Å; D537-T540 WeakPolarHBondContact O-CG2 3.12Å; D537-T540 PolarHBondContact O-N 3.46Å; D537-T540 PolarHBondContact O-OG1 2.93Å; L538-T540 PolarHBondContact O-N 3.11Å; L538-T540 VanDerWaalsContact O-N 3.15Å; T540-S542 VanDerWaalsContact C-N 3.31Å; T540-N545 CarbonylContact O-C 3.58Å; T540-N545 VanDerWaalsContact O-CB 3.24Å; T540-N545 WeakPolarHBondContact O-CB 3.5Å; T540-W546 WeakPolarHBondContact CB-O 3.19Å; T540-N548 HydrophobicContact CG2-CB 4.15Å; T540-R712 PolarHBondContact O-NH1 3.4Å
541	L	96.6	Very high	96	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-76.8	-18.1	173.1	-71	156.8	0	0	0	112.5	L538 Q539 N543 L547 V551 M686 R712 M715 V716 I719	L538-L541 HydrophobicContact CD2-CD1 4.48Å; L538-L541 WeakPolarHBondContact O-CB 3.48Å; L538-L541 PolarHBondContact O-N 2.83Å; Q539-L541 PolarHBondContact O-N 3.43Å; L541-N543 PolarHBondContact O-N 3.28Å; L541-L547 HydrophobicContact CD2-CD1 4.45Å; L541-L547 HydrophobicContact CD2-CD2 3.54Å; L541-L547 HydrophobicContact CG-CD2 4.02Å; L541-V551 HydrophobicContact CD1-CG1 3.98Å; L541-V551 HydrophobicContact CD1-CG2 4.47Å; L541-V551 HydrophobicContact CD2-CG1 4.14Å; L541-V551 HydrophobicContact CG-CG1 4.08Å; L541-M686 HydrophobicContact CD2-SD 3.63Å; L541-R712 WeakPolarHBondContact O-CB 3.49Å; L541-R712 WeakPolarHBondContact O-CD 3.39Å; L541-R712 WeakPolarHBondContact O-CG 3.3Å; L541-R712 PolarHBondContact O-NH1 3.2Å; L541-M715 HydrophobicContact CD1-CG 4.24Å; L541-M715 HydrophobicContact CD2-CB 4.07Å; L541-M715 HydrophobicContact CD2-CG 3.94Å; L541-M715 HydrophobicContact CD2-SD 3.55Å; L541-M715 VanDerWaalsContact CD2-SD 3.55Å; L541-V716 HydrophobicContact CB-CG2 3.62Å; L541-V716 HydrophobicContact CD1-CB 4.43Å; L541-V716 HydrophobicContact CD1-CG2 3.55Å; L541-V716 HydrophobicContact CG-CG2 4.17Å; L541-I719 HydrophobicContact CD1-CD1 4.21Å
542	S	94.1	Very high	96.2	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	22%	0.219	C	C	.	.	S	Bend	trans	-63.7	131.4	-177.9	-167.4	0	0	0	0	112.6	Q539 T540 L544 N545	Q539-S542 VanDerWaalsContact O-CB 3.24Å; Q539-S542 WeakPolarHBondContact O-CB 3.45Å; Q539-S542 PolarHBondContact O-N 2.83Å; Q539-S542 VanDerWaalsContact O-N 3.14Å; T540-S542 VanDerWaalsContact C-N 3.31Å; S542-L544 PolarHBondContact O-N 2.94Å; S542-L544 VanDerWaalsContact O-N 3.16Å; S542-N545 VanDerWaalsContact O-CB 3.26Å; S542-N545 WeakPolarHBondContact O-CB 3.27Å; S542-N545 VanDerWaalsContact O-CG 3.31Å; S542-N545 PolarHBondContact O-N 3.38Å
543	N	90.5	Very high	96.3	Very high	130 Å²	130	41.4 Å²	41.4	70%	0.695	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	-113.7	171.5	-60.4	-6.2	0	0	0	113.7	L541 R712	L541-N543 PolarHBondContact O-N 3.28Å; N543-R712 WeakPolarHBondContact O-CD 3.17Å; N543-R712 VanDerWaalsContact O-CZ 3.28Å; N543-R712 PolarHBondContact O-NE 3.26Å; N543-R712 VanDerWaalsContact O-NE 3.13Å; N543-R712 PolarHBondContact O-NH1 3.34Å
544	L	92.9	Very high	96.4	Very high	99 Å²	99	41.4 Å²	41.4	52%	0.518	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	19.3	-178	-63.1	177	0	0	0	112.7	S542 S682	S542-L544 PolarHBondContact O-N 2.94Å; S542-L544 VanDerWaalsContact O-N 3.16Å; L544-S682 WeakPolarHBondContact O-CB 3.39Å; L544-S682 PolarHBondContact O-OG 2.84Å
545	N	94.9	Very high	96.5	Very high	82 Å²	82	40.3 Å²	40.3	44%	0.439	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-67.2	147	176.9	-69	-10.6	0	0	0	111.3	Q539 T540 S542 R712	Q539-N545 PolarHBondContact O-ND2 2.87Å; T540-N545 CarbonylContact O-C 3.58Å; T540-N545 VanDerWaalsContact O-CB 3.24Å; T540-N545 WeakPolarHBondContact O-CB 3.5Å; S542-N545 VanDerWaalsContact O-CB 3.26Å; S542-N545 WeakPolarHBondContact O-CB 3.27Å; S542-N545 VanDerWaalsContact O-CG 3.31Å; S542-N545 PolarHBondContact O-N 3.38Å; N545-R712 VanDerWaalsContact O-CZ 3.31Å; N545-R712 PolarHBondContact O-NH1 3.49Å; N545-R712 PolarHBondContact O-NH2 3.01Å
546	W	96.8	Very high	96.6	Very high	128 Å²	128	39.3 Å²	39.3	49%	0.485	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-74.5	130.4	172.5	-67.5	-2.3	0	0	0	110.3	T540 M613 G681 S682	T540-W546 WeakPolarHBondContact CB-O 3.19Å; W546-M613 HydrophobicContact CH2-CB 3.83Å; W546-M613 HydrophobicContact CH2-CE 4.16Å; W546-M613 HydrophobicContact CH2-CG 4.17Å; W546-M613 HydrophobicContact CH2-SD 3.69Å; W546-M613 HydrophobicContact CZ3-CB 3.75Å; W546-M613 HydrophobicContact CZ3-CG 3.96Å; W546-M613 HydrophobicContact CZ3-SD 3.85Å; W546-G681 PolarHBondContact NE1-O 2.95Å; W546-S682 VanDerWaalsContact CD1-CA 3.47Å; W546-S682 VanDerWaalsContact CD1-CB 3.42Å
547	L	97.9	Very high	96.7	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-63.7	137.6	173	-53.8	-165.4	0	0	0	110.1	L541 V551 I552 W615 G685 M686 M715	L541-L547 HydrophobicContact CD2-CD1 4.45Å; L541-L547 HydrophobicContact CD2-CD2 3.54Å; L541-L547 HydrophobicContact CG-CD2 4.02Å; L547-V551 HydrophobicContact CD1-CG1 4.27Å; L547-I552 HydrophobicContact CB-CD1 4.11Å; L547-I552 HydrophobicContact CB-CG1 4.16Å; L547-I552 HydrophobicContact CD1-CG1 4.11Å; L547-W615 PolarHBondContact O-NE1 3.01Å; L547-G685 VanDerWaalsContact CD1-C 3.44Å; L547-M686 HydrophobicContact CD1-CG 4.15Å; L547-M686 HydrophobicContact CD1-SD 3.76Å; L547-M686 HydrophobicContact CD2-CG 4.34Å; L547-M686 HydrophobicContact CD2-SD 4.01Å; L547-M686 HydrophobicContact CG-CG 4.37Å; L547-M686 HydrophobicContact CG-SD 4.33Å; L547-M715 HydrophobicContact CD1-SD 4.5Å
548	N	97.3	Very high	96.8	Very high	36 Å²	36	34.6 Å²	34.6	19%	0.193	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-83.2	171.1	167.5	73.8	-9.6	0	0	0	112	D537 T540 E550 V551 I552	D537-N548 PolarHBondContact OD1-ND2 3.16Å; T540-N548 HydrophobicContact CG2-CB 4.15Å; N548-E550 VanDerWaalsContact C-N 3.34Å; N548-V551 WeakPolarHBondContact OD1-CG2 3.21Å; N548-V551 PolarHBondContact OD1-N 3.37Å; N548-V551 VanDerWaalsContact OD1-N 3.08Å; N548-I552 WeakPolarHBondContact O-CG1 3.39Å; N548-I552 PolarHBondContact O-N 3.17Å
549	D	97.3	Very high	96.9	Very high	47 Å²	47	34.7 Å²	34.7	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-37.1	177.7	50.7	-64.3	0	0	0	113.1	I552 N553 T576 F577 W615	D549-I552 PolarHBondContact O-N 3.43Å; D549-N553 VanDerWaalsContact O-CB 3.26Å; D549-N553 WeakPolarHBondContact O-CB 3.34Å; D549-N553 PolarHBondContact O-N 2.78Å; D549-N553 PolarHBondContact O-ND2 3.45Å; D549-T576 HydrophobicContact CB-CG2 4.15Å; D549-T576 WeakPolarHBondContact CB-OG1 3.38Å; D549-F577 HydrophobicContact CB-CZ 4.38Å; D549-F577 WeakPolarHBondContact OD2-CZ 3.38Å; D549-W615 HydrophobicContact CB-CH2 4.03Å; D549-W615 HydrophobicContact CB-CZ2 4.23Å
550	E	97.7	Very high	96.9	Very high	58 Å²	58	33.5 Å²	33.5	27%	0.271	17%	0.17	S	C	.	.	H	α-helix	trans	-65.3	-46.2	179	-68.8	-61.4	165.1	0	0	112.8	L533 N548 I552 N553 F554	L533-E550 HydrophobicContact CD2-CB 3.7Å; N548-E550 VanDerWaalsContact C-N 3.34Å; E550-I552 VanDerWaalsContact C-N 3.3Å; E550-I552 PolarHBondContact O-N 2.85Å; E550-N553 PolarHBondContact O-N 3.01Å; E550-F554 WeakPolarHBondContact O-CB 3.21Å; E550-F554 PolarHBondContact O-N 3.08Å
551	V	98.3	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-41.5	175.2	166.1	0	0	0	0	111.4	L533 D537 L541 L547 N548 Y555 M715 I719	L533-V551 HydrophobicContact CD2-CG2 4.14Å; D537-V551 HydrophobicContact CB-CG2 4.27Å; D537-V551 WeakPolarHBondContact O-CG2 3.43Å; L541-V551 HydrophobicContact CD1-CG1 3.98Å; L541-V551 HydrophobicContact CD1-CG2 4.47Å; L541-V551 HydrophobicContact CD2-CG1 4.14Å; L541-V551 HydrophobicContact CG-CG1 4.08Å; L547-V551 HydrophobicContact CD1-CG1 4.27Å; N548-V551 WeakPolarHBondContact OD1-CG2 3.21Å; N548-V551 PolarHBondContact OD1-N 3.37Å; N548-V551 VanDerWaalsContact OD1-N 3.08Å; V551-Y555 WeakPolarHBondContact O-CB 3.19Å; V551-Y555 PolarHBondContact O-N 3.09Å; V551-M715 HydrophobicContact CG1-SD 4.24Å; V551-I719 HydrophobicContact CG1-CD1 4.02Å
552	I	98.6	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.1	-46.1	178	-66.5	171.1	0	0	0	110.7	L547 N548 D549 E550 F554 Y555 M556 T576 P608 W615	L547-I552 HydrophobicContact CB-CD1 4.11Å; L547-I552 HydrophobicContact CB-CG1 4.16Å; L547-I552 HydrophobicContact CD1-CG1 4.11Å; N548-I552 WeakPolarHBondContact O-CG1 3.39Å; N548-I552 PolarHBondContact O-N 3.17Å; D549-I552 PolarHBondContact O-N 3.43Å; E550-I552 VanDerWaalsContact C-N 3.3Å; E550-I552 PolarHBondContact O-N 2.85Å; I552-F554 VanDerWaalsContact C-N 3.32Å; I552-F554 PolarHBondContact O-N 2.96Å; I552-Y555 PolarHBondContact O-N 3.26Å; I552-M556 HydrophobicContact CG2-CE 4.24Å; I552-M556 HydrophobicContact CG2-CG 4.22Å; I552-M556 WeakPolarHBondContact O-CB 3.44Å; I552-M556 WeakPolarHBondContact O-CG 3.41Å; I552-M556 PolarHBondContact O-N 2.68Å; I552-T576 HydrophobicContact CB-CG2 4.14Å; I552-T576 HydrophobicContact CG2-CG2 3.81Å; I552-P608 HydrophobicContact CG2-CB 4.22Å; I552-P608 HydrophobicContact CG2-CG 4.31Å; I552-W615 HydrophobicContact CD1-CD2 3.39Å; I552-W615 HydrophobicContact CD1-CE3 3.87Å; I552-W615 HydrophobicContact CD1-CG 3.73Å; I552-W615 HydrophobicContact CD1-CH2 4.26Å; I552-W615 HydrophobicContact CD1-CZ2 3.81Å; I552-W615 HydrophobicContact CD1-CZ3 4.26Å
553	N	98.5	Very high	97	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-44.4	176.9	-76.7	-36	0	0	0	111.2	L531 D549 E550 N557 N575 T576	L531-N553 HydrophobicContact CD1-CB 3.8Å; D549-N553 VanDerWaalsContact O-CB 3.26Å; D549-N553 WeakPolarHBondContact O-CB 3.34Å; D549-N553 PolarHBondContact O-N 2.78Å; D549-N553 PolarHBondContact O-ND2 3.45Å; E550-N553 PolarHBondContact O-N 3.01Å; N553-N557 PolarHBondContact O-N 2.87Å; N553-N557 VanDerWaalsContact O-N 3.15Å; N553-N557 PolarHBondContact O-ND2 2.95Å; N553-N575 WeakPolarHBondContact OD1-CA 3.33Å; N553-N575 VanDerWaalsContact OD1-CB 3.3Å; N553-N575 WeakPolarHBondContact OD1-CB 3.39Å; N553-T576 PolarHBondContact ND2-OG1 3.06Å; N553-T576 VanDerWaalsContact ND2-OG1 3.12Å; N553-T576 WeakPolarHBondContact OD1-CG2 3.26Å; N553-T576 PolarHBondContact OD1-N 3.38Å; N553-T576 PolarHBondContact OD1-OG1 3.35Å
554	F	98.6	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-46.9	177.7	-159.5	-79.3	0	0	0	111.8	S526 F529 L531 L533 E550 I552 M556 N557 L558 I719 H722	S526-F554 WeakPolarHBondContact OG-CZ 3.44Å; F529-F554 HydrophobicContact CD2-CD2 4.44Å; F529-F554 HydrophobicContact CD2-CE1 4.43Å; F529-F554 HydrophobicContact CD2-CE2 4.22Å; F529-F554 HydrophobicContact CD2-CZ 4.21Å; F529-F554 HydrophobicContact CE2-CD1 4.48Å; F529-F554 HydrophobicContact CE2-CE1 4.07Å; F529-F554 HydrophobicContact CE2-CZ 4.12Å; L531-F554 HydrophobicContact CB-CD2 4.09Å; L531-F554 HydrophobicContact CD1-CB 4.33Å; L531-F554 HydrophobicContact CD1-CD2 4.4Å; L533-F554 HydrophobicContact CD1-CB 3.64Å; L533-F554 HydrophobicContact CD1-CD1 3.99Å; L533-F554 HydrophobicContact CD1-CD2 3.55Å; L533-F554 HydrophobicContact CD1-CE2 4.17Å; L533-F554 HydrophobicContact CD1-CG 3.45Å; L533-F554 VanDerWaalsContact CD1-CG 3.45Å; L533-F554 HydrophobicContact CG-CB 4.31Å; L533-F554 HydrophobicContact CG-CD2 3.89Å; L533-F554 HydrophobicContact CG-CG 4.22Å; E550-F554 WeakPolarHBondContact O-CB 3.21Å; E550-F554 PolarHBondContact O-N 3.08Å; I552-F554 VanDerWaalsContact C-N 3.32Å; I552-F554 PolarHBondContact O-N 2.96Å; F554-M556 PolarHBondContact O-N 3.14Å; F554-N557 PolarHBondContact O-N 3.32Å; F554-N557 VanDerWaalsContact O-N 3.13Å; F554-L558 HydrophobicContact CD1-CD1 3.95Å; F554-L558 HydrophobicContact CD1-CG 4.06Å; F554-L558 HydrophobicContact CE1-CD1 4.04Å; F554-L558 HydrophobicContact CE1-CD2 4.12Å; F554-L558 HydrophobicContact CE1-CG 4.06Å; F554-L558 PolarHBondContact O-N 3.35Å; F554-I719 HydrophobicContact CD1-CB 4.44Å; F554-I719 HydrophobicContact CD1-CG1 4.09Å; F554-I719 HydrophobicContact CD1-CG2 3.97Å; F554-I719 HydrophobicContact CE1-CG2 4.05Å; F554-H722 AromaticContact CZ-CD2 3.75Å; F554-H722 AromaticContact CZ-NE2 3.73Å
555	Y	98.6	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-41.7	179.5	-161.1	-100.5	0	0	0	112.4	V551 I552 N557 L558 L559 C689 K690 D693 M715 E718 I719 L724	V551-Y555 WeakPolarHBondContact O-CB 3.19Å; V551-Y555 PolarHBondContact O-N 3.09Å; I552-Y555 PolarHBondContact O-N 3.26Å; Y555-N557 VanDerWaalsContact C-N 3.26Å; Y555-N557 PolarHBondContact O-N 3.29Å; Y555-L558 HydrophobicContact CD2-CD1 4.25Å; Y555-L558 WeakPolarHBondContact O-CB 3.38Å; Y555-L558 PolarHBondContact O-N 3.05Å; Y555-L558 VanDerWaalsContact O-N 3.15Å; Y555-L559 HydrophobicContact CD1-CD1 4.31Å; Y555-L559 HydrophobicContact CD1-CG 4.33Å; Y555-L559 HydrophobicContact CE1-CD1 4.41Å; Y555-L559 HydrophobicContact CE1-CD2 4.21Å; Y555-L559 HydrophobicContact CE1-CG 4.35Å; Y555-L559 WeakPolarHBondContact O-CG 3.46Å; Y555-L559 PolarHBondContact O-N 3.39Å; Y555-L559 VanDerWaalsContact O-N 3.09Å; Y555-C689 HydrophobicContact CD1-CB 3.62Å; Y555-C689 HydrophobicContact CE1-CB 3.97Å; Y555-C689 HydrophobicContact CG-CB 4.36Å; Y555-K690 PolarHBondContact OH-NZ 3.28Å; Y555-D693 HydrophobicContact CE1-CB 4.47Å; Y555-M715 HydrophobicContact CD1-CE 4.02Å; Y555-M715 HydrophobicContact CD2-CE 3.84Å; Y555-M715 HydrophobicContact CD2-CG 3.65Å; Y555-M715 HydrophobicContact CD2-SD 3.92Å; Y555-M715 HydrophobicContact CE1-CE 3.93Å; Y555-M715 HydrophobicContact CE2-CB 4.46Å; Y555-M715 HydrophobicContact CE2-CE 3.76Å; Y555-M715 HydrophobicContact CE2-CG 3.75Å; Y555-M715 HydrophobicContact CE2-SD 4.28Å; Y555-M715 HydrophobicContact CG-CE 3.95Å; Y555-M715 HydrophobicContact CG-CG 4.5Å; Y555-M715 HydrophobicContact CG-SD 4.2Å; Y555-E718 HydrophobicContact CE2-CB 4.5Å; Y555-E718 VanDerWaalsContact CE2-OE2 3.26Å; Y555-E718 WeakPolarHBondContact CE2-OE2 3.47Å; Y555-E718 PolarHBondContact OH-OE2 3.24Å; Y555-I719 HydrophobicContact CD2-CD1 4.37Å; Y555-I719 HydrophobicContact CD2-CG1 4.29Å; Y555-L724 HydrophobicContact CD2-CD2 4.32Å; Y555-L724 HydrophobicContact CE2-CD2 3.51Å
556	M	98.5	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-32.1	176.4	-63.9	-67.4	176	0	0	111.9	I552 F554 L559 V560 T573 L606 P608 L617 T688 A692	I552-M556 HydrophobicContact CG2-CE 4.24Å; I552-M556 HydrophobicContact CG2-CG 4.22Å; I552-M556 WeakPolarHBondContact O-CB 3.44Å; I552-M556 WeakPolarHBondContact O-CG 3.41Å; I552-M556 PolarHBondContact O-N 2.68Å; F554-M556 PolarHBondContact O-N 3.14Å; M556-L559 WeakPolarHBondContact O-CB 3.3Å; M556-L559 PolarHBondContact O-N 2.94Å; M556-L559 HydrophobicContact SD-CD1 3.94Å; M556-V560 WeakPolarHBondContact O-CG2 3.5Å; M556-V560 PolarHBondContact O-N 2.82Å; M556-V560 VanDerWaalsContact O-N 3.16Å; M556-T573 HydrophobicContact CB-CG2 3.87Å; M556-L606 HydrophobicContact SD-CD1 3.95Å; M556-P608 HydrophobicContact CE-CG 4.32Å; M556-P608 HydrophobicContact CG-CG 4.06Å; M556-L617 HydrophobicContact CE-CD1 4.18Å; M556-T688 HydrophobicContact CE-CG2 3.8Å; M556-A692 HydrophobicContact CE-CB 3.83Å; M556-A692 HydrophobicContact SD-CB 3.61Å
557	N	98.2	Very high	96.5	Very high	44 Å²	44	40.4 Å²	40.4	24%	0.235	21%	0.208	C	C	.	.	H	α-helix	trans	-71.3	-35.6	171.8	-79.9	-75.2	0	0	0	113.1	F529 N553 F554 Y555 L559 V560 E561	F529-N557 HydrophobicContact CB-CB 3.96Å; F529-N557 HydrophobicContact CD1-CB 3.91Å; F529-N557 HydrophobicContact CD2-CB 3.58Å; F529-N557 HydrophobicContact CE1-CB 4.34Å; F529-N557 HydrophobicContact CE2-CB 4.05Å; F529-N557 HydrophobicContact CG-CB 3.51Å; F529-N557 HydrophobicContact CZ-CB 4.41Å; N553-N557 PolarHBondContact O-N 2.87Å; N553-N557 VanDerWaalsContact O-N 3.15Å; N553-N557 PolarHBondContact O-ND2 2.95Å; F554-N557 PolarHBondContact O-N 3.32Å; F554-N557 VanDerWaalsContact O-N 3.13Å; Y555-N557 VanDerWaalsContact C-N 3.26Å; Y555-N557 PolarHBondContact O-N 3.29Å; N557-L559 VanDerWaalsContact C-N 3.27Å; N557-L559 PolarHBondContact O-N 2.8Å; N557-V560 CarbonylContact O-C 3.54Å; N557-V560 WeakPolarHBondContact O-CB 3.44Å; N557-V560 PolarHBondContact O-N 3.3Å; N557-V560 VanDerWaalsContact O-N 3.11Å; N557-E561 PolarHBondContact O-N 2.85Å
558	L	98.1	Very high	96.3	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-37.8	170.2	-67	171.4	0	0	0	111.9	F529 F554 Y555 E561 R562 I719 H722 L724	F529-L558 HydrophobicContact CE2-CD2 3.75Å; F529-L558 HydrophobicContact CE2-CG 4.12Å; F529-L558 HydrophobicContact CZ-CD2 3.86Å; F529-L558 HydrophobicContact CZ-CG 4.47Å; F554-L558 HydrophobicContact CD1-CD1 3.95Å; F554-L558 HydrophobicContact CD1-CG 4.06Å; F554-L558 HydrophobicContact CE1-CD1 4.04Å; F554-L558 HydrophobicContact CE1-CD2 4.12Å; F554-L558 HydrophobicContact CE1-CG 4.06Å; F554-L558 PolarHBondContact O-N 3.35Å; Y555-L558 HydrophobicContact CD2-CD1 4.25Å; Y555-L558 WeakPolarHBondContact O-CB 3.38Å; Y555-L558 PolarHBondContact O-N 3.05Å; Y555-L558 VanDerWaalsContact O-N 3.15Å; L558-E561 PolarHBondContact O-N 2.87Å; L558-R562 WeakPolarHBondContact O-CB 3.38Å; L558-R562 PolarHBondContact O-N 2.8Å; L558-I719 HydrophobicContact CD1-CG1 3.97Å; L558-H722 HydrophobicContact CD2-CB 4.21Å; L558-L724 HydrophobicContact CB-CD1 3.92Å; L558-L724 HydrophobicContact CB-CD2 4.17Å; L558-L724 HydrophobicContact CB-CG 4.07Å; L558-L724 HydrophobicContact CD1-CD2 4.33Å; L558-L724 WeakPolarHBondContact O-CD1 3.49Å
559	L	98.2	Very high	96.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-39	173.8	-61.4	178.8	0	0	0	112.1	Y555 M556 N557 S563 L606 A692 D693 L724	Y555-L559 HydrophobicContact CD1-CD1 4.31Å; Y555-L559 HydrophobicContact CD1-CG 4.33Å; Y555-L559 HydrophobicContact CE1-CD1 4.41Å; Y555-L559 HydrophobicContact CE1-CD2 4.21Å; Y555-L559 HydrophobicContact CE1-CG 4.35Å; Y555-L559 WeakPolarHBondContact O-CG 3.46Å; Y555-L559 PolarHBondContact O-N 3.39Å; Y555-L559 VanDerWaalsContact O-N 3.09Å; M556-L559 WeakPolarHBondContact O-CB 3.3Å; M556-L559 PolarHBondContact O-N 2.94Å; M556-L559 HydrophobicContact SD-CD1 3.94Å; N557-L559 VanDerWaalsContact C-N 3.27Å; N557-L559 PolarHBondContact O-N 2.8Å; L559-S563 PolarHBondContact O-N 3.38Å; L559-S563 VanDerWaalsContact O-N 3.09Å; L559-L606 HydrophobicContact CB-CD1 4.43Å; L559-L606 HydrophobicContact CD1-CD1 4.05Å; L559-A692 HydrophobicContact CD1-CB 3.42Å; L559-A692 VanDerWaalsContact CD1-CB 3.42Å; L559-D693 HydrophobicContact CD2-CB 4.04Å; L559-L724 HydrophobicContact CD2-CD1 3.83Å
560	V	97.4	Very high	96.2	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-40.6	174.7	172.4	0	0	0	0	111.5	M556 N557 S563 V571 T573	M556-V560 WeakPolarHBondContact O-CG2 3.5Å; M556-V560 PolarHBondContact O-N 2.82Å; M556-V560 VanDerWaalsContact O-N 3.16Å; N557-V560 CarbonylContact O-C 3.54Å; N557-V560 WeakPolarHBondContact O-CB 3.44Å; N557-V560 PolarHBondContact O-N 3.3Å; N557-V560 VanDerWaalsContact O-N 3.11Å; V560-S563 WeakPolarHBondContact O-CB 3.37Å; V560-S563 PolarHBondContact O-N 3.39Å; V560-S563 PolarHBondContact O-OG 3.37Å; V560-V571 HydrophobicContact CG2-CB 4.43Å; V560-V571 HydrophobicContact CG2-CG1 4.02Å; V560-T573 HydrophobicContact CG2-CG2 4.06Å
561	E	97.1	Very high	96.2	Very high	83 Å²	83	39.5 Å²	39.5	39%	0.388	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-49	176.9	-164.3	58.1	-136.5	0	0	111	F529 N557 L558 S563 K564	F529-E561 HydrophobicContact CE1-CB 3.93Å; F529-E561 HydrophobicContact CE1-CG 4.15Å; F529-E561 HydrophobicContact CZ-CB 4.08Å; F529-E561 HydrophobicContact CZ-CG 4.39Å; N557-E561 PolarHBondContact O-N 2.85Å; L558-E561 PolarHBondContact O-N 2.87Å; E561-S563 PolarHBondContact O-N 2.92Å; E561-K564 WeakPolarHBondContact O-CB 3.31Å; E561-K564 WeakPolarHBondContact O-CG 3.44Å; E561-K564 PolarHBondContact O-N 2.89Å; E561-K564 VanDerWaalsContact O-N 3.07Å; E561-K564 WeakPolarHBondContact OE1-CD 3.2Å; E561-K564 WeakPolarHBondContact OE1-CE 3.26Å; E561-K564 IonicContact OE1-NZ 3.85Å; E561-K564 PolarHBondContact OE1-NZ 3.41Å; E561-K564 WeakPolarHBondContact OE2-CE 3.32Å; E561-K564 IonicContact OE2-NZ 3.52Å; E561-K564 PolarHBondContact OE2-NZ 2.92Å
562	R	96.3	Very high	96.2	Very high	18 Å²	18	40 Å²	40	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-30.3	174.2	-173.7	-177.1	67.5	-166.2	6	113	L558 K564 E565 R568 D693 T696 K697 L724	L558-R562 WeakPolarHBondContact O-CB 3.38Å; L558-R562 PolarHBondContact O-N 2.8Å; R562-K564 PolarHBondContact O-N 3.33Å; R562-K564 VanDerWaalsContact O-N 3.1Å; R562-E565 VanDerWaalsContact O-CB 3.28Å; R562-E565 WeakPolarHBondContact O-CB 3.5Å; R562-E565 WeakPolarHBondContact O-CG 3.44Å; R562-E565 PolarHBondContact O-N 3.4Å; R562-R568 WeakPolarHBondContact O-CD 3.49Å; R562-D693 IonicContact CZ-OD1 3.51Å; R562-D693 IonicContact NH1-OD1 3.75Å; R562-D693 PolarHBondContact NH1-OD1 2.58Å; R562-D693 PolarHBondContact NH2-O 3.17Å; R562-D693 VanDerWaalsContact NH2-O 3.11Å; R562-D693 IonicContact NH2-OD1 3.03Å; R562-D693 PolarHBondContact NH2-OD1 2.84Å; R562-T696 PolarHBondContact NH2-OG1 3.42Å; R562-K697 VanDerWaalsContact NH1-CE 3.26Å; R562-L724 HydrophobicContact CB-CD1 4.1Å
563	S	96.4	Very high	96.2	Very high	11 Å²	11	40.6 Å²	40.6	8%	0.077	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.3	177.5	81.7	0	0	0	0	114.8	L559 V560 E561 E565 V571	L559-S563 PolarHBondContact O-N 3.38Å; L559-S563 VanDerWaalsContact O-N 3.09Å; V560-S563 WeakPolarHBondContact O-CB 3.37Å; V560-S563 PolarHBondContact O-N 3.39Å; V560-S563 PolarHBondContact O-OG 3.37Å; E561-S563 PolarHBondContact O-N 2.92Å; S563-E565 VanDerWaalsContact C-N 3.33Å; S563-V571 VanDerWaalsContact CB-CG2 3.43Å; S563-V571 PolarHBondContact OG-N 3.08Å; S563-V571 VanDerWaalsContact OG-N 3.09Å
564	K	94.8	Very high	96.2	Very high	141 Å²	141	40.8 Å²	40.8	61%	0.613	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.4	170.5	-54.6	177.3	-165.6	168.7	0	112.9	E561 R562	E561-K564 WeakPolarHBondContact O-CB 3.31Å; E561-K564 WeakPolarHBondContact O-CG 3.44Å; E561-K564 PolarHBondContact O-N 2.89Å; E561-K564 VanDerWaalsContact O-N 3.07Å; E561-K564 WeakPolarHBondContact OE1-CD 3.2Å; E561-K564 WeakPolarHBondContact OE1-CE 3.26Å; E561-K564 IonicContact OE1-NZ 3.85Å; E561-K564 PolarHBondContact OE1-NZ 3.41Å; E561-K564 WeakPolarHBondContact OE2-CE 3.32Å; E561-K564 IonicContact OE2-NZ 3.52Å; E561-K564 PolarHBondContact OE2-NZ 2.92Å; R562-K564 PolarHBondContact O-N 3.33Å; R562-K564 VanDerWaalsContact O-N 3.1Å
565	E	92.4	Very high	96.1	Very high	90 Å²	90	43.9 Å²	43.9	42%	0.421	23%	0.225	S	C	.	.	S	Bend	trans	-63.2	142.5	171.5	-68.5	175.5	-174.3	0	0	110.6	R562 S563 R568	R562-E565 VanDerWaalsContact O-CB 3.28Å; R562-E565 WeakPolarHBondContact O-CB 3.5Å; R562-E565 WeakPolarHBondContact O-CG 3.44Å; R562-E565 PolarHBondContact O-N 3.4Å; S563-E565 VanDerWaalsContact C-N 3.33Å; E565-R568 HydrophobicContact CB-CG 4.38Å; E565-R568 IonicContact OE2-CZ 2.83Å; E565-R568 IonicContact OE2-NE 2.71Å; E565-R568 PolarHBondContact OE2-NE 2.91Å; E565-R568 IonicContact OE2-NH2 3.72Å; E565-R568 PolarHBondContact OE2-NH2 2.84Å
566	P	88.2	Confident	96.1	Very high	109 Å²	109	44 Å²	44	71%	0.708	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	151.9	177.3	27.5	-35.1	0	0	0	111.6	R568	P566-R568 VanDerWaalsContact C-N 3.31Å; P566-R568 PolarHBondContact O-N 3.19Å
567	N	89.2	Confident	96	Very high	172 Å²	172	49.1 Å²	49.1	92%	0.92	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	26.3	-179.8	-46	-43.6	0	0	0	115
568	R	92.4	Very high	96.1	Very high	86 Å²	86	47 Å²	47	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-114.8	155.2	168.3	-62.7	-164.3	-173.3	-73.9	-1.7	111.5	R562 E565 P566	R562-R568 WeakPolarHBondContact O-CD 3.49Å; E565-R568 HydrophobicContact CB-CG 4.38Å; E565-R568 IonicContact OE2-CZ 2.83Å; E565-R568 IonicContact OE2-NE 2.71Å; E565-R568 PolarHBondContact OE2-NE 2.91Å; E565-R568 IonicContact OE2-NH2 3.72Å; E565-R568 PolarHBondContact OE2-NH2 2.84Å; P566-R568 VanDerWaalsContact C-N 3.31Å; P566-R568 PolarHBondContact O-N 3.19Å
569	P	96.3	Very high	96.1	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.071	24%	0.236	C	C	.	.			trans	-59.6	140	162.6	27.1	-34.8	0	0	0	110.1	V571 D603 I604 D698	P569-V571 PolarHBondContact O-N 3.39Å; P569-D603 HydrophobicContact CB-CB 3.82Å; P569-I604 HydrophobicContact CB-CD1 3.72Å; P569-I604 HydrophobicContact CB-CG1 4.09Å; P569-I604 HydrophobicContact CG-CD1 3.64Å; P569-D698 WeakPolarHBondContact CG-OD2 3.4Å
570	S	97.3	Very high	96	Very high	32 Å²	32	49 Å²	49	22%	0.224	25%	0.25	C	C	.	.			trans	-74.7	121	173.7	65.6	0	0	0	0	110.3	K602 D603 I604	S570-K602 WeakPolarHBondContact OG-CA 3.28Å; S570-D603 WeakPolarHBondContact CB-OD2 3.45Å; S570-D603 PolarHBondContact N-OD2 3.33Å; S570-D603 PolarHBondContact O-N 3.29Å; S570-D603 PolarHBondContact OG-N 3.16Å; S570-D603 VanDerWaalsContact OG-N 3.15Å; S570-D603 PolarHBondContact OG-OD2 3.37Å; S570-I604 PolarHBondContact O-N 3.27Å; S570-I604 VanDerWaalsContact O-N 3.12Å
571	V	98.2	Very high	96	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	152.6	-173.9	-173.6	0	0	0	0	110.4	V560 S563 P569 K602 I604 L606 T696	V560-V571 HydrophobicContact CG2-CB 4.43Å; V560-V571 HydrophobicContact CG2-CG1 4.02Å; S563-V571 VanDerWaalsContact CB-CG2 3.43Å; S563-V571 PolarHBondContact OG-N 3.08Å; S563-V571 VanDerWaalsContact OG-N 3.09Å; P569-V571 PolarHBondContact O-N 3.39Å; V571-K602 WeakPolarHBondContact O-CE 3.39Å; V571-K602 PolarHBondContact O-NZ 3.26Å; V571-I604 CarbonylContact C-O 3.52Å; V571-I604 WeakPolarHBondContact CA-O 3.45Å; V571-I604 HydrophobicContact CG2-CB 4.34Å; V571-L606 HydrophobicContact CG1-CD1 3.79Å; V571-L606 HydrophobicContact CG1-CG 3.94Å; V571-T696 HydrophobicContact CB-CG2 4.33Å; V571-T696 HydrophobicContact CG1-CG2 3.8Å; V571-T696 HydrophobicContact CG2-CG2 3.51Å
572	N	97.7	Very high	96.1	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.9	155.7	-173.1	69.1	0	0	0	110.2	M597 K602 I604 L605 L606	N572-M597 VanDerWaalsContact CG-SD 3.52Å; N572-M597 PolarHBondContact ND2-SD 2.81Å; N572-M597 WeakPolarHBondContact OD1-CE 3.45Å; N572-M597 PolarHBondContact OD1-SD 2.76Å; N572-M597 VanDerWaalsContact OD1-SD 3.36Å; N572-K602 HydrophobicContact CB-CD 4.28Å; N572-K602 HydrophobicContact CB-CG 3.98Å; N572-I604 PolarHBondContact N-O 3.42Å; N572-L605 HydrophobicContact CB-CD1 3.93Å; N572-L605 VanDerWaalsContact ND2-CD1 3.3Å; N572-L605 WeakPolarHBondContact ND2-CD1 3.26Å; N572-L605 WeakPolarHBondContact O-CA 3.49Å; N572-L606 PolarHBondContact O-N 2.76Å
573	T	98.2	Very high	96.1	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.8	169.4	-164.4	0	0	0	0	110.9	M556 V560 L606	M556-T573 HydrophobicContact CB-CG2 3.87Å; V560-T573 HydrophobicContact CG2-CG2 4.06Å; T573-L606 WeakPolarHBondContact CA-O 3.41Å; T573-L606 PolarHBondContact OG1-O 2.89Å
574	F	98.3	Very high	96.1	Very high	12 Å²	12	57.9 Å²	57.9	5%	0.053	29%	0.293	C	S	.	.			trans	-85.3	163	152.3	-68.6	-57	0	0	0	110.7	F578 T594 I599 L605 L606 V607 P608 Y647	F574-F578 HydrophobicContact CB-CB 3.67Å; F574-F578 HydrophobicContact CB-CD1 3.89Å; F574-F578 HydrophobicContact CB-CD2 4.43Å; F574-F578 HydrophobicContact CB-CG 3.74Å; F574-F578 HydrophobicContact CD1-CD1 4.42Å; F574-F578 AromaticContact CD1-CD2 3.83Å; F574-F578 HydrophobicContact CD1-CD2 3.83Å; F574-F578 HydrophobicContact CD1-CE2 4.1Å; F574-F578 HydrophobicContact CD1-CG 4Å; F574-F578 AromaticContact CD2-CD1 3.42Å; F574-F578 HydrophobicContact CD2-CD1 3.42Å; F574-F578 VanDerWaalsContact CD2-CD1 3.42Å; F574-F578 HydrophobicContact CD2-CD2 4.18Å; F574-F578 AromaticContact CD2-CE1 3.38Å; F574-F578 HydrophobicContact CD2-CE1 3.38Å; F574-F578 HydrophobicContact CD2-CE2 4.14Å; F574-F578 AromaticContact CD2-CG 3.84Å; F574-F578 HydrophobicContact CD2-CG 3.84Å; F574-F578 AromaticContact CD2-CZ 3.76Å; F574-F578 HydrophobicContact CD2-CZ 3.76Å; F574-F578 HydrophobicContact CE1-CD2 4.08Å; F574-F578 AromaticContact CE1-CE2 3.89Å; F574-F578 HydrophobicContact CE1-CE2 3.89Å; F574-F578 HydrophobicContact CE1-CZ 4.26Å; F574-F578 AromaticContact CE2-CD1 4Å; F574-F578 HydrophobicContact CE2-CD1 4Å; F574-F578 HydrophobicContact CE2-CD2 4.39Å; F574-F578 AromaticContact CE2-CE1 3.48Å; F574-F578 HydrophobicContact CE2-CE1 3.48Å; F574-F578 VanDerWaalsContact CE2-CE1 3.48Å; F574-F578 AromaticContact CE2-CE2 3.91Å; F574-F578 HydrophobicContact CE2-CE2 3.91Å; F574-F578 HydrophobicContact CE2-CG 4.43Å; F574-F578 AromaticContact CE2-CZ 3.42Å; F574-F578 HydrophobicContact CE2-CZ 3.42Å; F574-F578 VanDerWaalsContact CE2-CZ 3.42Å; F574-F578 HydrophobicContact CG-CB 4.09Å; F574-F578 AromaticContact CG-CD1 3.67Å; F574-F578 HydrophobicContact CG-CD1 3.67Å; F574-F578 AromaticContact CG-CD2 3.9Å; F574-F578 HydrophobicContact CG-CD2 3.9Å; F574-F578 HydrophobicContact CG-CE1 4.04Å; F574-F578 HydrophobicContact CG-CE2 4.24Å; F574-F578 AromaticContact CG-CG 3.6Å; F574-F578 HydrophobicContact CG-CG 3.6Å; F574-F578 HydrophobicContact CG-CZ 4.31Å; F574-F578 HydrophobicContact CZ-CD2 4.35Å; F574-F578 HydrophobicContact CZ-CE1 4.22Å; F574-F578 AromaticContact CZ-CE2 3.79Å; F574-F578 HydrophobicContact CZ-CE2 3.79Å; F574-F578 AromaticContact CZ-CZ 3.71Å; F574-F578 HydrophobicContact CZ-CZ 3.71Å; F574-T594 HydrophobicContact CE1-CG2 3.82Å; F574-T594 HydrophobicContact CZ-CG2 4.16Å; F574-I599 HydrophobicContact CZ-CG2 4.33Å; F574-L605 HydrophobicContact CD2-CD1 4.24Å; F574-L605 HydrophobicContact CD2-CD2 4.42Å; F574-L605 HydrophobicContact CD2-CG 4.38Å; F574-L605 HydrophobicContact CE2-CD1 4.07Å; F574-L605 HydrophobicContact CE2-CD2 3.66Å; F574-L605 HydrophobicContact CE2-CG 4.09Å; F574-L605 HydrophobicContact CZ-CD1 4.38Å; F574-L605 HydrophobicContact CZ-CD2 4.13Å; F574-L606 PolarHBondContact N-O 2.94Å; F574-V607 HydrophobicContact CD2-CG1 4.18Å; F574-V607 HydrophobicContact CD2-CG2 3.93Å; F574-P608 WeakPolarHBondContact O-CD 3.26Å; F574-Y647 AromaticContact CE2-CE1 3.9Å; F574-Y647 HydrophobicContact CE2-CE1 3.9Å; F574-Y647 AromaticContact CZ-CE1 3.74Å; F574-Y647 HydrophobicContact CZ-CE1 3.74Å; F574-Y647 AromaticContact CZ-CZ 3.82Å; F574-Y647 WeakPolarHBondContact CZ-OH 3.14Å
575	N	97.2	Very high	96.2	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	28%	0.281	S	S	.	.			trans	-77.6	164.6	167.7	74.2	23.3	0	0	0	111	N553 F577 F578 W593	N553-N575 WeakPolarHBondContact OD1-CA 3.33Å; N553-N575 VanDerWaalsContact OD1-CB 3.3Å; N553-N575 WeakPolarHBondContact OD1-CB 3.39Å; N575-F577 PolarHBondContact O-N 2.82Å; N575-F577 VanDerWaalsContact O-N 3.16Å; N575-F577 WeakPolarHBondContact OD1-CB 3.47Å; N575-F577 PolarHBondContact OD1-N 2.78Å; N575-F577 VanDerWaalsContact OD1-N 3.09Å; N575-F578 WeakPolarHBondContact O-CB 3.41Å; N575-F578 PolarHBondContact O-N 2.78Å; N575-F578 VanDerWaalsContact O-N 3.15Å; N575-F578 PolarHBondContact OD1-N 2.76Å; N575-F578 VanDerWaalsContact OD1-N 3.15Å; N575-W593 WeakPolarHBondContact OD1-CZ3 3.47Å
576	T	97.9	Very high	96.4	Very high	3 Å²	3	51 Å²	51	2%	0.018	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.4	179.3	50.1	0	0	0	0	115.1	D549 I552 N553 P580 P608 W615	D549-T576 HydrophobicContact CB-CG2 4.15Å; D549-T576 WeakPolarHBondContact CB-OG1 3.38Å; I552-T576 HydrophobicContact CB-CG2 4.14Å; I552-T576 HydrophobicContact CG2-CG2 3.81Å; N553-T576 PolarHBondContact ND2-OG1 3.06Å; N553-T576 VanDerWaalsContact ND2-OG1 3.12Å; N553-T576 WeakPolarHBondContact OD1-CG2 3.26Å; N553-T576 PolarHBondContact OD1-N 3.38Å; N553-T576 PolarHBondContact OD1-OG1 3.35Å; T576-P580 VanDerWaalsContact O-CD 3.26Å; T576-P580 WeakPolarHBondContact O-CD 3.49Å; T576-P608 HydrophobicContact CG2-CB 4Å; T576-P608 HydrophobicContact CG2-CG 4.48Å; T576-W615 HydrophobicContact CG2-CH2 3.48Å; T576-W615 VanDerWaalsContact CG2-CH2 3.48Å; T576-W615 HydrophobicContact CG2-CZ3 3.44Å; T576-W615 VanDerWaalsContact CG2-CZ3 3.44Å
577	F	97.6	Very high	96.9	Very high	106 Å²	106	46.6 Å²	46.6	47%	0.465	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.7	-179	-57.9	-74.6	0	0	0	113.8	D549 N575 K581 W593	D549-F577 HydrophobicContact CB-CZ 4.38Å; D549-F577 WeakPolarHBondContact OD2-CZ 3.38Å; N575-F577 PolarHBondContact O-N 2.82Å; N575-F577 VanDerWaalsContact O-N 3.16Å; N575-F577 WeakPolarHBondContact OD1-CB 3.47Å; N575-F577 PolarHBondContact OD1-N 2.78Å; N575-F577 VanDerWaalsContact OD1-N 3.09Å; F577-K581 VanDerWaalsContact O-CB 3.29Å; F577-K581 WeakPolarHBondContact O-CB 3.24Å; F577-K581 PolarHBondContact O-N 3.46Å; F577-W593 HydrophobicContact CB-CH2 4.1Å; F577-W593 HydrophobicContact CB-CZ3 4.38Å
578	F	98.5	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-54.5	-175.2	169.9	-94.9	0	0	0	112.6	F574 N575 K581 L582 V590 W593 V607 L644 Y647	F574-F578 HydrophobicContact CB-CB 3.67Å; F574-F578 HydrophobicContact CB-CD1 3.89Å; F574-F578 HydrophobicContact CB-CD2 4.43Å; F574-F578 HydrophobicContact CB-CG 3.74Å; F574-F578 HydrophobicContact CD1-CD1 4.42Å; F574-F578 AromaticContact CD1-CD2 3.83Å; F574-F578 HydrophobicContact CD1-CD2 3.83Å; F574-F578 HydrophobicContact CD1-CE2 4.1Å; F574-F578 HydrophobicContact CD1-CG 4Å; F574-F578 AromaticContact CD2-CD1 3.42Å; F574-F578 HydrophobicContact CD2-CD1 3.42Å; F574-F578 VanDerWaalsContact CD2-CD1 3.42Å; F574-F578 HydrophobicContact CD2-CD2 4.18Å; F574-F578 AromaticContact CD2-CE1 3.38Å; F574-F578 HydrophobicContact CD2-CE1 3.38Å; F574-F578 HydrophobicContact CD2-CE2 4.14Å; F574-F578 AromaticContact CD2-CG 3.84Å; F574-F578 HydrophobicContact CD2-CG 3.84Å; F574-F578 AromaticContact CD2-CZ 3.76Å; F574-F578 HydrophobicContact CD2-CZ 3.76Å; F574-F578 HydrophobicContact CE1-CD2 4.08Å; F574-F578 AromaticContact CE1-CE2 3.89Å; F574-F578 HydrophobicContact CE1-CE2 3.89Å; F574-F578 HydrophobicContact CE1-CZ 4.26Å; F574-F578 AromaticContact CE2-CD1 4Å; F574-F578 HydrophobicContact CE2-CD1 4Å; F574-F578 HydrophobicContact CE2-CD2 4.39Å; F574-F578 AromaticContact CE2-CE1 3.48Å; F574-F578 HydrophobicContact CE2-CE1 3.48Å; F574-F578 VanDerWaalsContact CE2-CE1 3.48Å; F574-F578 AromaticContact CE2-CE2 3.91Å; F574-F578 HydrophobicContact CE2-CE2 3.91Å; F574-F578 HydrophobicContact CE2-CG 4.43Å; F574-F578 AromaticContact CE2-CZ 3.42Å; F574-F578 HydrophobicContact CE2-CZ 3.42Å; F574-F578 VanDerWaalsContact CE2-CZ 3.42Å; F574-F578 HydrophobicContact CG-CB 4.09Å; F574-F578 AromaticContact CG-CD1 3.67Å; F574-F578 HydrophobicContact CG-CD1 3.67Å; F574-F578 AromaticContact CG-CD2 3.9Å; F574-F578 HydrophobicContact CG-CD2 3.9Å; F574-F578 HydrophobicContact CG-CE1 4.04Å; F574-F578 HydrophobicContact CG-CE2 4.24Å; F574-F578 AromaticContact CG-CG 3.6Å; F574-F578 HydrophobicContact CG-CG 3.6Å; F574-F578 HydrophobicContact CG-CZ 4.31Å; F574-F578 HydrophobicContact CZ-CD2 4.35Å; F574-F578 HydrophobicContact CZ-CE1 4.22Å; F574-F578 AromaticContact CZ-CE2 3.79Å; F574-F578 HydrophobicContact CZ-CE2 3.79Å; F574-F578 AromaticContact CZ-CZ 3.71Å; F574-F578 HydrophobicContact CZ-CZ 3.71Å; N575-F578 WeakPolarHBondContact O-CB 3.41Å; N575-F578 PolarHBondContact O-N 2.78Å; N575-F578 VanDerWaalsContact O-N 3.15Å; N575-F578 PolarHBondContact OD1-N 2.76Å; N575-F578 VanDerWaalsContact OD1-N 3.15Å; F578-K581 PolarHBondContact O-N 2.92Å; F578-L582 HydrophobicContact CE1-CD2 3.87Å; F578-L582 HydrophobicContact CZ-CD2 3.92Å; F578-L582 WeakPolarHBondContact O-CB 3.35Å; F578-L582 PolarHBondContact O-N 3.03Å; F578-V590 HydrophobicContact CD2-CB 4.09Å; F578-V590 HydrophobicContact CD2-CG1 4.08Å; F578-V590 HydrophobicContact CE2-CB 3.85Å; F578-V590 HydrophobicContact CE2-CG1 4.23Å; F578-V590 HydrophobicContact CE2-CG2 3.9Å; F578-W593 VanDerWaalsContact CA-CZ3 3.46Å; F578-W593 HydrophobicContact CB-CE3 4.11Å; F578-W593 HydrophobicContact CB-CZ3 3.8Å; F578-W593 HydrophobicContact CD2-CE3 4.06Å; F578-W593 HydrophobicContact CD2-CZ3 4.46Å; F578-V607 HydrophobicContact CD1-CG1 3.79Å; F578-V607 HydrophobicContact CE1-CG1 4.16Å; F578-L644 HydrophobicContact CE1-CD2 3.85Å; F578-Y647 HydrophobicContact CE2-CD2 4.33Å; F578-Y647 HydrophobicContact CE2-CE1 4.47Å; F578-Y647 AromaticContact CE2-CE2 3.88Å; F578-Y647 HydrophobicContact CE2-CE2 3.88Å; F578-Y647 AromaticContact CE2-CZ 3.98Å; F578-Y647 AromaticContact CZ-CD1 3.93Å; F578-Y647 HydrophobicContact CZ-CD1 3.93Å; F578-Y647 AromaticContact CZ-CD2 3.82Å; F578-Y647 HydrophobicContact CZ-CD2 3.82Å; F578-Y647 AromaticContact CZ-CE1 3.77Å; F578-Y647 HydrophobicContact CZ-CE1 3.77Å; F578-Y647 AromaticContact CZ-CE2 3.71Å; F578-Y647 HydrophobicContact CZ-CE2 3.71Å; F578-Y647 AromaticContact CZ-CG 3.99Å; F578-Y647 HydrophobicContact CZ-CG 3.99Å; F578-Y647 AromaticContact CZ-CZ 3.7Å
579	Y	98.1	Very high	97.6	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-45.8	-175.9	176.5	-95.1	0	0	0	112.7	K581 L582 R583 V609 L611 A640 I643 L644	Y579-K581 VanDerWaalsContact C-N 3.26Å; Y579-K581 PolarHBondContact O-N 3.01Å; Y579-L582 PolarHBondContact O-N 3.34Å; Y579-R583 HydrophobicContact CE1-CB 4.48Å; Y579-R583 WeakPolarHBondContact O-CB 3.45Å; Y579-R583 PolarHBondContact O-N 2.82Å; Y579-V609 HydrophobicContact CD1-CB 4.19Å; Y579-V609 HydrophobicContact CD1-CG1 3.64Å; Y579-V609 HydrophobicContact CD1-CG2 4Å; Y579-V609 HydrophobicContact CD2-CG2 4.31Å; Y579-V609 HydrophobicContact CE1-CG1 3.64Å; Y579-V609 HydrophobicContact CE1-CG2 4.44Å; Y579-V609 HydrophobicContact CG-CG1 4.4Å; Y579-V609 HydrophobicContact CG-CG2 3.92Å; Y579-L611 HydrophobicContact CE1-CD2 4.37Å; Y579-A640 HydrophobicContact CE2-CB 3.95Å; Y579-A640 WeakPolarHBondContact OH-CA 3.29Å; Y579-A640 VanDerWaalsContact OH-CB 3.26Å; Y579-A640 WeakPolarHBondContact OH-CB 3.45Å; Y579-I643 HydrophobicContact CE2-CB 4.45Å; Y579-I643 HydrophobicContact CE2-CG2 4.09Å; Y579-L644 HydrophobicContact CD2-CD1 4.47Å; Y579-L644 HydrophobicContact CD2-CD2 4.17Å; Y579-L644 HydrophobicContact CD2-CG 4.25Å; Y579-L644 HydrophobicContact CE2-CG 4.46Å
580	P	96.8	Very high	97.6	Very high	45 Å²	45	39.9 Å²	39.9	29%	0.292	23%	0.229	S	C	.	.	H	α-helix	trans	-55.5	-38.4	171	-27.6	35.9	0	0	0	113.2	T576 S584 H610	T576-P580 VanDerWaalsContact O-CD 3.26Å; T576-P580 WeakPolarHBondContact O-CD 3.49Å; P580-S584 VanDerWaalsContact O-CB 3.32Å; P580-S584 WeakPolarHBondContact O-CB 3.28Å; P580-S584 PolarHBondContact O-N 3.3Å; P580-S584 VanDerWaalsContact O-N 3.14Å; P580-S584 PolarHBondContact O-OG 3.48Å; P580-H610 HydrophobicContact CG-CB 4.17Å
581	K	97.9	Very high	97.6	Very high	87 Å²	87	43.2 Å²	43.2	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-74.3	-39.5	179.6	-168	53.1	171.6	166.1	0	113	F577 F578 Y579 S584 S585 A589 V590 W593	F577-K581 VanDerWaalsContact O-CB 3.29Å; F577-K581 WeakPolarHBondContact O-CB 3.24Å; F577-K581 PolarHBondContact O-N 3.46Å; F578-K581 PolarHBondContact O-N 2.92Å; Y579-K581 VanDerWaalsContact C-N 3.26Å; Y579-K581 PolarHBondContact O-N 3.01Å; K581-S584 PolarHBondContact O-OG 3.16Å; K581-S585 PolarHBondContact NZ-OG 2.94Å; K581-S585 VanDerWaalsContact O-CB 3.3Å; K581-S585 WeakPolarHBondContact O-CB 3.5Å; K581-S585 PolarHBondContact O-N 3.29Å; K581-A589 HydrophobicContact CG-CB 4.38Å; K581-V590 HydrophobicContact CB-CG1 4.09Å; K581-V590 HydrophobicContact CG-CG1 4.03Å; K581-W593 HydrophobicContact CB-CH2 4.19Å; K581-W593 HydrophobicContact CB-CZ2 4.31Å; K581-W593 HydrophobicContact CG-CH2 4.46Å; K581-W593 HydrophobicContact CG-CZ2 4.09Å
582	L	98.2	Very high	97.6	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-51.1	172.4	172.3	62	0	0	0	111	F578 Y579 S584 G586 V590 I643 L644 Y647	F578-L582 HydrophobicContact CE1-CD2 3.87Å; F578-L582 HydrophobicContact CZ-CD2 3.92Å; F578-L582 WeakPolarHBondContact O-CB 3.35Å; F578-L582 PolarHBondContact O-N 3.03Å; Y579-L582 PolarHBondContact O-N 3.34Å; L582-S584 VanDerWaalsContact C-N 3.31Å; L582-S584 PolarHBondContact O-N 2.82Å; L582-G586 VanDerWaalsContact O-CA 3.31Å; L582-G586 WeakPolarHBondContact O-CA 3.4Å; L582-G586 PolarHBondContact O-N 3.04Å; L582-V590 HydrophobicContact CB-CG1 4.32Å; L582-V590 HydrophobicContact CB-CG2 4.34Å; L582-V590 HydrophobicContact CD1-CG2 3.96Å; L582-I643 HydrophobicContact CD2-CG2 3.85Å; L582-I643 HydrophobicContact CG-CG2 3.89Å; L582-L644 HydrophobicContact CD2-CD2 3.93Å; L582-Y647 HydrophobicContact CD1-CD2 4.07Å; L582-Y647 HydrophobicContact CD1-CG 4.48Å; L582-Y647 HydrophobicContact CD2-CD2 4.2Å; L582-Y647 HydrophobicContact CD2-CG 3.98Å
583	R	96.7	Very high	97.5	Very high	134 Å²	134	57.1 Å²	57.1	51%	0.506	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-36	-179.2	-175.6	177.6	-172.6	-167.1	4.2	113	Y579 I643	Y579-R583 HydrophobicContact CE1-CB 4.48Å; Y579-R583 WeakPolarHBondContact O-CB 3.45Å; Y579-R583 PolarHBondContact O-N 2.82Å; R583-I643 HydrophobicContact CG-CD1 4.19Å
584	S	96.6	Very high	97.4	Very high	89 Å²	89	56.6 Å²	56.6	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-92.6	-21.5	-176.4	60.6	0	0	0	0	115.1	P580 K581 L582	P580-S584 VanDerWaalsContact O-CB 3.32Å; P580-S584 WeakPolarHBondContact O-CB 3.28Å; P580-S584 PolarHBondContact O-N 3.3Å; P580-S584 VanDerWaalsContact O-N 3.14Å; P580-S584 PolarHBondContact O-OG 3.48Å; K581-S584 PolarHBondContact O-OG 3.16Å; L582-S584 VanDerWaalsContact C-N 3.31Å; L582-S584 PolarHBondContact O-N 2.82Å
585	S	97.1	Very high	97.2	Very high	51 Å²	51	64.5 Å²	64.5	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-135.2	2.1	-170.5	-53.4	0	0	0	0	114.7	K581 A589	K581-S585 PolarHBondContact NZ-OG 2.94Å; K581-S585 VanDerWaalsContact O-CB 3.3Å; K581-S585 WeakPolarHBondContact O-CB 3.5Å; K581-S585 PolarHBondContact O-N 3.29Å; S585-A589 VanDerWaalsContact CB-CB 3.5Å
586	G	97.1	Very high	96.8	Very high	34 Å²	34	71.5 Å²	71.5	35%	0.351	35%	0.347	S	S	.	.			trans	69.1	178.3	178	0	0	0	0	0	115	L582 S588 A589	L582-G586 VanDerWaalsContact O-CA 3.31Å; L582-G586 WeakPolarHBondContact O-CA 3.4Å; L582-G586 PolarHBondContact O-N 3.04Å; G586-S588 VanDerWaalsContact C-N 3.28Å; G586-S588 PolarHBondContact O-N 3.46Å; G586-A589 PolarHBondContact O-N 3.23Å
587	Y	98.1	Very high	96.6	Very high	17 Å²	17	75.1 Å²	75.1	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-53.2	-43	-177.9	179.7	-100.4	0	0	0	113.1	A589 V590 R591 Y647 Q650 E651 D654	Y587-A589 PolarHBondContact O-N 3.13Å; Y587-V590 WeakPolarHBondContact O-CG2 3.23Å; Y587-V590 PolarHBondContact O-N 3.4Å; Y587-R591 HydrophobicContact CD1-CB 3.93Å; Y587-R591 HydrophobicContact CE1-CB 3.34Å; Y587-R591 HydrophobicContact CE1-CG 4.42Å; Y587-R591 HydrophobicContact CE2-CB 4.21Å; Y587-R591 VanDerWaalsContact CZ-CB 3.46Å; Y587-R591 PolarHBondContact O-N 3.42Å; Y587-Y647 AromaticContact CD2-CD2 3.63Å; Y587-Y647 HydrophobicContact CD2-CD2 3.63Å; Y587-Y647 AromaticContact CD2-CE2 3.8Å; Y587-Y647 HydrophobicContact CD2-CE2 3.8Å; Y587-Y647 AromaticContact CE2-CD2 3.95Å; Y587-Y647 HydrophobicContact CE2-CD2 3.95Å; Y587-Y647 AromaticContact CE2-CE2 3.66Å; Y587-Y647 HydrophobicContact CE2-CE2 3.66Å; Y587-Q650 HydrophobicContact CD1-CB 4.04Å; Y587-Q650 HydrophobicContact CD2-CB 3.56Å; Y587-Q650 HydrophobicContact CE1-CB 4.37Å; Y587-Q650 HydrophobicContact CE2-CB 3.96Å; Y587-Q650 HydrophobicContact CG-CB 3.66Å; Y587-Q650 HydrophobicContact CG-CG 4.37Å; Y587-E651 HydrophobicContact CE2-CB 3.99Å; Y587-E651 VanDerWaalsContact CE2-OE2 3.3Å; Y587-E651 WeakPolarHBondContact CE2-OE2 3.46Å; Y587-E651 PolarHBondContact OH-OE2 2.91Å; Y587-D654 HydrophobicContact CE1-CB 3.96Å; Y587-D654 VanDerWaalsContact OH-CB 3.25Å; Y587-D654 WeakPolarHBondContact OH-CB 3.49Å; Y587-D654 PolarHBondContact OH-OD2 3.29Å
588	S	97.4	Very high	96.4	Very high	93 Å²	93	72.9 Å²	72.9	65%	0.65	36%	0.358	S	S	*	.	H	α-helix	trans	-54.8	-25.9	-176.9	-63.3	0	0	0	0	114.8	G586	G586-S588 VanDerWaalsContact C-N 3.28Å; G586-S588 PolarHBondContact O-N 3.46Å
589	A	97.7	Very high	96.4	Very high	36 Å²	36	73 Å²	73	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-84.1	-28.4	177	0	0	0	0	0	113.9	K581 S585 G586 Y587 W593	K581-A589 HydrophobicContact CG-CB 4.38Å; S585-A589 VanDerWaalsContact CB-CB 3.5Å; G586-A589 PolarHBondContact O-N 3.23Å; Y587-A589 PolarHBondContact O-N 3.13Å; A589-W593 PolarHBondContact O-NE1 3.03Å
590	V	97.9	Very high	96.3	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-103.7	-16.5	-177	-64	0	0	0	0	114.2	F578 K581 L582 Y587 R592 W593 Y647	F578-V590 HydrophobicContact CD2-CB 4.09Å; F578-V590 HydrophobicContact CD2-CG1 4.08Å; F578-V590 HydrophobicContact CE2-CB 3.85Å; F578-V590 HydrophobicContact CE2-CG1 4.23Å; F578-V590 HydrophobicContact CE2-CG2 3.9Å; K581-V590 HydrophobicContact CB-CG1 4.09Å; K581-V590 HydrophobicContact CG-CG1 4.03Å; L582-V590 HydrophobicContact CB-CG1 4.32Å; L582-V590 HydrophobicContact CB-CG2 4.34Å; L582-V590 HydrophobicContact CD1-CG2 3.96Å; Y587-V590 WeakPolarHBondContact O-CG2 3.23Å; Y587-V590 PolarHBondContact O-N 3.4Å; V590-R592 PolarHBondContact O-N 2.85Å; V590-W593 HydrophobicContact CB-CG 4.48Å; V590-W593 HydrophobicContact CG1-CD2 4.42Å; V590-W593 HydrophobicContact CG1-CZ2 4.41Å; V590-W593 VanDerWaalsContact O-CB 3.31Å; V590-W593 WeakPolarHBondContact O-CB 3.4Å; V590-W593 PolarHBondContact O-N 3.47Å; V590-Y647 HydrophobicContact CG2-CD2 4.12Å; V590-Y647 HydrophobicContact CG2-CE2 4.02Å
591	R	96.8	Very high	96.3	Very high	102 Å²	102	76.1 Å²	76.1	39%	0.385	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-13.1	-178.5	72	175.3	175.5	145.5	-4.2	117.4	Y587 K655	Y587-R591 HydrophobicContact CD1-CB 3.93Å; Y587-R591 HydrophobicContact CE1-CB 3.34Å; Y587-R591 HydrophobicContact CE1-CG 4.42Å; Y587-R591 HydrophobicContact CE2-CB 4.21Å; Y587-R591 VanDerWaalsContact CZ-CB 3.46Å; Y587-R591 PolarHBondContact O-N 3.42Å; R591-K655 PolarHBondContact O-NZ 3.46Å
592	R	96.9	Very high	96.3	Very high	191 Å²	191	74.8 Å²	74.8	72%	0.721	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-14	177.4	-72.5	-175	173.4	178.5	-1.4	113.4	V590 T594 K595	V590-R592 PolarHBondContact O-N 2.85Å; R592-T594 VanDerWaalsContact C-N 3.33Å; R592-T594 PolarHBondContact O-N 3.29Å; R592-K595 WeakPolarHBondContact O-CB 3.43Å; R592-K595 PolarHBondContact O-N 3.36Å; R592-K595 VanDerWaalsContact O-N 3.15Å
593	W	97.1	Very high	96.3	Very high	110 Å²	110	76.7 Å²	76.7	42%	0.417	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-34.8	-172.3	-63.4	30.8	0	0	0	110.4	N575 F577 F578 K581 A589 V590 K595	N575-W593 WeakPolarHBondContact OD1-CZ3 3.47Å; F577-W593 HydrophobicContact CB-CH2 4.1Å; F577-W593 HydrophobicContact CB-CZ3 4.38Å; F578-W593 VanDerWaalsContact CA-CZ3 3.46Å; F578-W593 HydrophobicContact CB-CE3 4.11Å; F578-W593 HydrophobicContact CB-CZ3 3.8Å; F578-W593 HydrophobicContact CD2-CE3 4.06Å; F578-W593 HydrophobicContact CD2-CZ3 4.46Å; K581-W593 HydrophobicContact CB-CH2 4.19Å; K581-W593 HydrophobicContact CB-CZ2 4.31Å; K581-W593 HydrophobicContact CG-CH2 4.46Å; K581-W593 HydrophobicContact CG-CZ2 4.09Å; A589-W593 PolarHBondContact O-NE1 3.03Å; V590-W593 HydrophobicContact CB-CG 4.48Å; V590-W593 HydrophobicContact CG1-CD2 4.42Å; V590-W593 HydrophobicContact CG1-CZ2 4.41Å; V590-W593 VanDerWaalsContact O-CB 3.31Å; V590-W593 WeakPolarHBondContact O-CB 3.4Å; V590-W593 PolarHBondContact O-N 3.47Å; W593-K595 VanDerWaalsContact C-N 3.33Å; W593-K595 PolarHBondContact O-N 2.92Å
594	T	96.1	Very high	96.3	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.018	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.8	171.8	49.7	0	0	0	0	114.9	F574 R592 K596 M597 I599 Y647 E651 K655	F574-T594 HydrophobicContact CE1-CG2 3.82Å; F574-T594 HydrophobicContact CZ-CG2 4.16Å; R592-T594 VanDerWaalsContact C-N 3.33Å; R592-T594 PolarHBondContact O-N 3.29Å; T594-K596 PolarHBondContact O-N 3.31Å; T594-M597 PolarHBondContact O-N 3Å; T594-I599 HydrophobicContact CG2-CG2 3.8Å; T594-Y647 WeakPolarHBondContact CG2-OH 3.14Å; T594-E651 WeakPolarHBondContact CB-OE1 3.33Å; T594-E651 WeakPolarHBondContact CG2-OE1 3.36Å; T594-E651 PolarHBondContact OG1-OE1 3.14Å; T594-E651 PolarHBondContact OG1-OE2 2.86Å; T594-K655 VanDerWaalsContact OG1-CE 3.32Å; T594-K655 WeakPolarHBondContact OG1-CE 3.42Å
595	K	93	Very high	96.4	Very high	178 Å²	178	66.1 Å²	66.1	77%	0.774	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.3	-169.9	177.8	176.7	177.1	-174.3	0	114.9	R592 W593	R592-K595 WeakPolarHBondContact O-CB 3.43Å; R592-K595 PolarHBondContact O-N 3.36Å; R592-K595 VanDerWaalsContact O-N 3.15Å; W593-K595 VanDerWaalsContact C-N 3.33Å; W593-K595 PolarHBondContact O-N 2.92Å
596	K	90.3	Very high	96.5	Very high	212 Å²	212	63.7 Å²	63.7	92%	0.922	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	13.1	179.9	-62.6	-176	178.2	-179.8	0	113.6	T594	T594-K596 PolarHBondContact O-N 3.31Å
597	M	92.1	Very high	96.6	Very high	78 Å²	78	62.1 Å²	62.1	38%	0.384	30%	0.297	S	S	.	.			trans	-145.5	124.6	-161.1	176.5	-176.1	-76.7	0	0	111.7	N572 T594 I599	N572-M597 VanDerWaalsContact CG-SD 3.52Å; N572-M597 PolarHBondContact ND2-SD 2.81Å; N572-M597 WeakPolarHBondContact OD1-CE 3.45Å; N572-M597 PolarHBondContact OD1-SD 2.76Å; N572-M597 VanDerWaalsContact OD1-SD 3.36Å; T594-M597 PolarHBondContact O-N 3Å; M597-I599 HydrophobicContact CG-CG2 4.23Å; M597-I599 HydrophobicContact SD-CG2 4.21Å
598	D	95.1	Very high	96.6	Very high	60 Å²	60	61.3 Å²	61.3	32%	0.321	29%	0.294	S	S	.	.			trans	-92.7	98.1	172.9	-174.5	12.1	0	0	0	110.5	F600 A601 K656	D598-F600 PolarHBondContact O-N 2.63Å; D598-F600 PolarHBondContact OD1-N 2.99Å; D598-A601 HydrophobicContact CB-CB 4.05Å; D598-A601 PolarHBondContact O-N 3.06Å; D598-A601 WeakPolarHBondContact OD2-CB 3.28Å; D598-K656 WeakPolarHBondContact OD1-CE 3.41Å; D598-K656 IonicContact OD1-NZ 3.7Å; D598-K656 PolarHBondContact OD1-NZ 3Å; D598-K656 VanDerWaalsContact OD1-NZ 3.09Å; D598-K656 IonicContact OD2-NZ 3.2Å; D598-K656 PolarHBondContact OD2-NZ 3.15Å
599	I	96.9	Very high	96.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.2	179.8	68.5	166.8	0	0	0	113.1	F574 T594 M597 L605 F622 Y647 L648 E651	F574-I599 HydrophobicContact CZ-CG2 4.33Å; T594-I599 HydrophobicContact CG2-CG2 3.8Å; M597-I599 HydrophobicContact CG-CG2 4.23Å; M597-I599 HydrophobicContact SD-CG2 4.21Å; I599-L605 HydrophobicContact CB-CD2 4.24Å; I599-L605 HydrophobicContact CD1-CD2 3.93Å; I599-L605 HydrophobicContact CG2-CD1 4.49Å; I599-F622 VanDerWaalsContact O-CE2 3.27Å; I599-F622 WeakPolarHBondContact O-CE2 3.48Å; I599-Y647 HydrophobicContact CD1-CE1 3.82Å; I599-L648 HydrophobicContact CD1-CD2 3.73Å; I599-E651 HydrophobicContact CD1-CB 4.45Å; I599-E651 HydrophobicContact CD1-CG 3.81Å; I599-E651 HydrophobicContact CG1-CG 4.18Å
600	F	96.9	Very high	96.5	Very high	49 Å²	49	58.2 Å²	58.2	22%	0.215	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.7	178.7	-55.9	-76.1	0	0	0	113	D598 K602 F622 L648 E651 K656 L660	D598-F600 PolarHBondContact O-N 2.63Å; D598-F600 PolarHBondContact OD1-N 2.99Å; F600-K602 PolarHBondContact O-N 3.39Å; F600-F622 AromaticContact CD1-CE1 3.83Å; F600-F622 HydrophobicContact CD1-CE1 3.83Å; F600-F622 HydrophobicContact CD1-CZ 4.19Å; F600-F622 HydrophobicContact CE1-CE1 4.13Å; F600-L648 HydrophobicContact CE1-CD2 4.3Å; F600-L648 WeakPolarHBondContact CZ-O 3.42Å; F600-E651 HydrophobicContact CE2-CB 4.25Å; F600-E651 HydrophobicContact CE2-CG 3.87Å; F600-E651 HydrophobicContact CZ-CB 4.08Å; F600-E651 HydrophobicContact CZ-CG 4.15Å; F600-K656 HydrophobicContact CD2-CG 4.04Å; F600-K656 HydrophobicContact CE2-CG 4.34Å; F600-L660 HydrophobicContact CE1-CD1 4.36Å
601	A	96.5	Very high	96.3	Very high	63 Å²	63	61 Å²	61	52%	0.521	28%	0.277	S	S	.	.	S	Bend	trans	-93.5	30.7	170	0	0	0	0	0	111.5	D598	D598-A601 HydrophobicContact CB-CB 4.05Å; D598-A601 PolarHBondContact O-N 3.06Å; D598-A601 WeakPolarHBondContact OD2-CB 3.28Å
602	K	97.4	Very high	96	Very high	59 Å²	59	59 Å²	59	26%	0.257	29%	0.289	S	S	.	.			trans	-134.6	148.2	-177.1	-64.6	-67.2	-173.6	161.4	0	110.2	S570 V571 N572 F600 F622	S570-K602 WeakPolarHBondContact OG-CA 3.28Å; V571-K602 WeakPolarHBondContact O-CE 3.39Å; V571-K602 PolarHBondContact O-NZ 3.26Å; N572-K602 HydrophobicContact CB-CD 4.28Å; N572-K602 HydrophobicContact CB-CG 3.98Å; F600-K602 PolarHBondContact O-N 3.39Å; K602-F622 WeakPolarHBondContact O-CD2 3.36Å
603	D	97.9	Very high	95.6	Very high	50 Å²	50	55.8 Å²	55.8	27%	0.267	28%	0.284	S	S	.	.	S	Bend	trans	-80.3	-41.6	176.1	-64	-75.7	0	0	0	111.4	P569 S570 F622 R623	P569-D603 HydrophobicContact CB-CB 3.82Å; S570-D603 WeakPolarHBondContact CB-OD2 3.45Å; S570-D603 PolarHBondContact N-OD2 3.33Å; S570-D603 PolarHBondContact O-N 3.29Å; S570-D603 PolarHBondContact OG-N 3.16Å; S570-D603 VanDerWaalsContact OG-N 3.15Å; S570-D603 PolarHBondContact OG-OD2 3.37Å; D603-F622 PolarHBondContact O-N 2.88Å; D603-R623 HydrophobicContact CB-CG 3.95Å; D603-R623 VanDerWaalsContact OD1-CD 3.27Å; D603-R623 WeakPolarHBondContact OD1-CD 3.45Å; D603-R623 VanDerWaalsContact OD1-CG 3.28Å; D603-R623 WeakPolarHBondContact OD1-CG 3.41Å
604	I	98.5	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	-174.4	-58.6	177.3	0	0	0	110.2	P569 S570 V571 N572 L606 V619 V620 I695	P569-I604 HydrophobicContact CB-CD1 3.72Å; P569-I604 HydrophobicContact CB-CG1 4.09Å; P569-I604 HydrophobicContact CG-CD1 3.64Å; S570-I604 PolarHBondContact O-N 3.27Å; S570-I604 VanDerWaalsContact O-N 3.12Å; V571-I604 CarbonylContact C-O 3.52Å; V571-I604 WeakPolarHBondContact CA-O 3.45Å; V571-I604 HydrophobicContact CG2-CB 4.34Å; N572-I604 PolarHBondContact N-O 3.42Å; I604-L606 HydrophobicContact CG2-CD2 4.14Å; I604-L606 HydrophobicContact CG2-CG 4.46Å; I604-V619 HydrophobicContact CG2-CG1 3.62Å; I604-V620 WeakPolarHBondContact CA-O 3.4Å; I604-I695 HydrophobicContact CD1-CG2 4.47Å
605	L	98.6	Very high	95.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.5	171	-179.2	65	0	0	0	109.6	N572 F574 I599 V607 V620 F622 L648	N572-L605 HydrophobicContact CB-CD1 3.93Å; N572-L605 VanDerWaalsContact ND2-CD1 3.3Å; N572-L605 WeakPolarHBondContact ND2-CD1 3.26Å; N572-L605 WeakPolarHBondContact O-CA 3.49Å; F574-L605 HydrophobicContact CD2-CD1 4.24Å; F574-L605 HydrophobicContact CD2-CD2 4.42Å; F574-L605 HydrophobicContact CD2-CG 4.38Å; F574-L605 HydrophobicContact CE2-CD1 4.07Å; F574-L605 HydrophobicContact CE2-CD2 3.66Å; F574-L605 HydrophobicContact CE2-CG 4.09Å; F574-L605 HydrophobicContact CZ-CD1 4.38Å; F574-L605 HydrophobicContact CZ-CD2 4.13Å; I599-L605 HydrophobicContact CB-CD2 4.24Å; I599-L605 HydrophobicContact CD1-CD2 3.93Å; I599-L605 HydrophobicContact CG2-CD1 4.49Å; L605-V607 HydrophobicContact CG-CG2 4.46Å; L605-V620 HydrophobicContact CB-CB 4.14Å; L605-V620 HydrophobicContact CB-CG2 4.49Å; L605-V620 PolarHBondContact N-O 3.45Å; L605-V620 PolarHBondContact O-N 3.47Å; L605-F622 HydrophobicContact CB-CE2 4.06Å; L605-L648 HydrophobicContact CD2-CD2 4.44Å
606	L	98.8	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.2	175.9	-59.8	174.4	0	0	0	110.2	M556 L559 V571 N572 T573 F574 I604 L617 V619 A692 T696	M556-L606 HydrophobicContact SD-CD1 3.95Å; L559-L606 HydrophobicContact CB-CD1 4.43Å; L559-L606 HydrophobicContact CD1-CD1 4.05Å; V571-L606 HydrophobicContact CG1-CD1 3.79Å; V571-L606 HydrophobicContact CG1-CG 3.94Å; N572-L606 PolarHBondContact O-N 2.76Å; T573-L606 WeakPolarHBondContact CA-O 3.41Å; T573-L606 PolarHBondContact OG1-O 2.89Å; F574-L606 PolarHBondContact N-O 2.94Å; I604-L606 HydrophobicContact CG2-CD2 4.14Å; I604-L606 HydrophobicContact CG2-CG 4.46Å; L606-L617 HydrophobicContact CD2-CD1 4.47Å; L606-V619 HydrophobicContact CD2-CG1 4.32Å; L606-V619 HydrophobicContact CD2-CG2 3.98Å; L606-A692 HydrophobicContact CD1-CB 4Å; L606-A692 HydrophobicContact CD2-CB 3.95Å; L606-T696 HydrophobicContact CD1-CG2 3.93Å; L606-T696 HydrophobicContact CD2-CG2 4.18Å; L606-T696 HydrophobicContact CG-CG2 4.35Å
607	V	98.7	Very high	96.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	99.4	177	-163.1	0	0	0	0	109.5	F574 F578 L605 V609 S618 L644	F574-V607 HydrophobicContact CD2-CG1 4.18Å; F574-V607 HydrophobicContact CD2-CG2 3.93Å; F578-V607 HydrophobicContact CD1-CG1 3.79Å; F578-V607 HydrophobicContact CE1-CG1 4.16Å; L605-V607 HydrophobicContact CG-CG2 4.46Å; V607-V609 PolarHBondContact O-N 3.32Å; V607-S618 PolarHBondContact N-O 3.41Å; V607-S618 PolarHBondContact O-N 3Å; V607-L644 HydrophobicContact CB-CD1 4.28Å; V607-L644 HydrophobicContact CG1-CD1 4.36Å; V607-L644 HydrophobicContact CG1-CD2 4.07Å; V607-L644 HydrophobicContact CG2-CD1 4.25Å; V607-L644 HydrophobicContact CG2-CD2 4.3Å
608	P	98.5	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129.6	170.3	-19.6	32.4	0	0	0	110.2	I552 M556 F574 T576	I552-P608 HydrophobicContact CG2-CB 4.22Å; I552-P608 HydrophobicContact CG2-CG 4.31Å; M556-P608 HydrophobicContact CE-CG 4.32Å; M556-P608 HydrophobicContact CG-CG 4.06Å; F574-P608 WeakPolarHBondContact O-CD 3.26Å; T576-P608 HydrophobicContact CG2-CB 4Å; T576-P608 HydrophobicContact CG2-CG 4.48Å
609	V	97.9	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.5	-176.5	170.6	0	0	0	0	108.7	Y579 V607 L611 C616 Y629	Y579-V609 HydrophobicContact CD1-CB 4.19Å; Y579-V609 HydrophobicContact CD1-CG1 3.64Å; Y579-V609 HydrophobicContact CD1-CG2 4Å; Y579-V609 HydrophobicContact CD2-CG2 4.31Å; Y579-V609 HydrophobicContact CE1-CG1 3.64Å; Y579-V609 HydrophobicContact CE1-CG2 4.44Å; Y579-V609 HydrophobicContact CG-CG1 4.4Å; Y579-V609 HydrophobicContact CG-CG2 3.92Å; V607-V609 PolarHBondContact O-N 3.32Å; V609-L611 HydrophobicContact CG1-CD1 4.28Å; V609-L611 HydrophobicContact CG1-CD2 3.96Å; V609-L611 HydrophobicContact CG1-CG 3.9Å; V609-C616 HydrophobicContact CB-CB 4.19Å; V609-C616 HydrophobicContact CG1-CB 4.4Å; V609-C616 PolarHBondContact N-O 3.4Å; V609-C616 PolarHBondContact O-N 2.99Å; V609-Y629 HydrophobicContact CB-CE2 4.4Å; V609-Y629 HydrophobicContact CG1-CE2 4.09Å
610	H	95.3	Very high	96.9	Very high	63 Å²	63	27.4 Å²	27.4	29%	0.292	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.1	174.1	-163.6	-140.7	0	0	0	111.2	P580 G612 H614 W615	P580-H610 HydrophobicContact CG-CB 4.17Å; H610-G612 PolarHBondContact CE1-O 3.45Å; H610-G612 VanDerWaalsContact CE1-O 3.29Å; H610-G612 PolarHBondContact NE2-O 3.45Å; H610-H614 PolarHBondContact CD2-O 2.75Å; H610-W615 HydrophobicContact CB-CE3 3.95Å; H610-W615 HydrophobicContact CB-CH2 3.87Å; H610-W615 HydrophobicContact CB-CZ3 3.47Å; H610-W615 VanDerWaalsContact CB-CZ3 3.47Å; H610-W615 AromaticContact CD2-CD2 3.72Å; H610-W615 AromaticContact CD2-CE2 3.65Å; H610-W615 AromaticContact CD2-CE3 3.8Å; H610-W615 AromaticContact CD2-CH2 3.75Å; H610-W615 AromaticContact CD2-CZ2 3.68Å; H610-W615 AromaticContact CD2-CZ3 3.82Å; H610-W615 AromaticContact CG-CH2 3.72Å; H610-W615 AromaticContact CG-CZ3 3.77Å
611	L	92.3	Very high	97	Very high	58 Å²	58	25.4 Å²	25.4	30%	0.304	15%	0.15	S	C	.	.			trans	-120.5	60.3	179.3	-60.9	178.6	0	0	0	110.8	Y579 V609 M613 H614 Y629	Y579-L611 HydrophobicContact CE1-CD2 4.37Å; V609-L611 HydrophobicContact CG1-CD1 4.28Å; V609-L611 HydrophobicContact CG1-CD2 3.96Å; V609-L611 HydrophobicContact CG1-CG 3.9Å; L611-M613 VanDerWaalsContact C-N 3.28Å; L611-M613 PolarHBondContact O-N 3.4Å; L611-H614 PolarHBondContact N-O 2.76Å; L611-H614 PolarHBondContact O-N 3Å; L611-Y629 WeakPolarHBondContact CD1-OH 3.29Å
612	G	90.3	Very high	97	Very high	62 Å²	62	24.1 Å²	24.1	64%	0.639	13%	0.133	S	C	*	.	S	Bend	trans	79.9	-63.2	173.5	0	0	0	0	0	114	H610	H610-G612 PolarHBondContact CE1-O 3.45Å; H610-G612 VanDerWaalsContact CE1-O 3.29Å; H610-G612 PolarHBondContact NE2-O 3.45Å
613	M	90.5	Very high	97	Very high	123 Å²	123	26.2 Å²	26.2	61%	0.606	14%	0.139	S	C	*	.	S	Bend	trans	-131.4	3.5	175.2	-57.8	-166.8	-51.2	0	0	112.7	W546 L611	W546-M613 HydrophobicContact CH2-CB 3.83Å; W546-M613 HydrophobicContact CH2-CE 4.16Å; W546-M613 HydrophobicContact CH2-CG 4.17Å; W546-M613 HydrophobicContact CH2-SD 3.69Å; W546-M613 HydrophobicContact CZ3-CB 3.75Å; W546-M613 HydrophobicContact CZ3-CG 3.96Å; W546-M613 HydrophobicContact CZ3-SD 3.85Å; L611-M613 VanDerWaalsContact C-N 3.28Å; L611-M613 PolarHBondContact O-N 3.4Å
614	H	95.9	Very high	96.9	Very high	28 Å²	28	29.3 Å²	29.3	13%	0.13	15%	0.15	C	C	.	.			trans	-122.1	140.5	-175.6	-172.1	32.7	0	0	0	111.3	H610 L611 C616 D631 M633 C684	H610-H614 PolarHBondContact CD2-O 2.75Å; L611-H614 PolarHBondContact N-O 2.76Å; L611-H614 PolarHBondContact O-N 3Å; H614-C616 PolarHBondContact CD2-SG 3.13Å; H614-C616 PolarHBondContact NE2-SG 3.12Å; H614-D631 IonicContact CD2-OD1 2.74Å; H614-D631 IonicContact CE1-OD1 3.17Å; H614-D631 IonicContact NE2-OD1 2.76Å; H614-D631 PolarHBondContact NE2-OD1 3.32Å; H614-D631 IonicContact NE2-OD2 3.12Å; H614-M633 VanDerWaalsContact CE1-SD 3.51Å; H614-C684 WeakPolarHBondContact CE1-CB 3.33Å; H614-C684 WeakPolarHBondContact ND1-CB 3.33Å
615	W	98.2	Very high	96.9	Very high	13 Å²	13	32.2 Å²	32.2	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.1	177.6	-71.4	112.7	0	0	0	110.1	L547 D549 I552 T576 H610 C684 T688	L547-W615 PolarHBondContact O-NE1 3.01Å; D549-W615 HydrophobicContact CB-CH2 4.03Å; D549-W615 HydrophobicContact CB-CZ2 4.23Å; I552-W615 HydrophobicContact CD1-CD2 3.39Å; I552-W615 HydrophobicContact CD1-CE3 3.87Å; I552-W615 HydrophobicContact CD1-CG 3.73Å; I552-W615 HydrophobicContact CD1-CH2 4.26Å; I552-W615 HydrophobicContact CD1-CZ2 3.81Å; I552-W615 HydrophobicContact CD1-CZ3 4.26Å; T576-W615 HydrophobicContact CG2-CH2 3.48Å; T576-W615 VanDerWaalsContact CG2-CH2 3.48Å; T576-W615 HydrophobicContact CG2-CZ3 3.44Å; T576-W615 VanDerWaalsContact CG2-CZ3 3.44Å; H610-W615 HydrophobicContact CB-CE3 3.95Å; H610-W615 HydrophobicContact CB-CH2 3.87Å; H610-W615 HydrophobicContact CB-CZ3 3.47Å; H610-W615 VanDerWaalsContact CB-CZ3 3.47Å; H610-W615 AromaticContact CD2-CD2 3.72Å; H610-W615 AromaticContact CD2-CE2 3.65Å; H610-W615 AromaticContact CD2-CE3 3.8Å; H610-W615 AromaticContact CD2-CH2 3.75Å; H610-W615 AromaticContact CD2-CZ2 3.68Å; H610-W615 AromaticContact CD2-CZ3 3.82Å; H610-W615 AromaticContact CG-CH2 3.72Å; H610-W615 AromaticContact CG-CZ3 3.77Å; W615-C684 HydrophobicContact CB-CB 4.21Å; W615-T688 VanDerWaalsContact C-OG1 3.29Å; W615-T688 PolarHBondContact O-OG1 3.05Å
616	C	98.3	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171.5	173.2	-65	0	0	0	0	109.9	V609 H614 Y629 F630 T688	V609-C616 HydrophobicContact CB-CB 4.19Å; V609-C616 HydrophobicContact CG1-CB 4.4Å; V609-C616 PolarHBondContact N-O 3.4Å; V609-C616 PolarHBondContact O-N 2.99Å; H614-C616 PolarHBondContact CD2-SG 3.13Å; H614-C616 PolarHBondContact NE2-SG 3.12Å; C616-Y629 HydrophobicContact CB-CE1 4.5Å; C616-Y629 HydrophobicContact CB-CE2 3.7Å; C616-Y629 WeakPolarHBondContact CB-OH 3.3Å; C616-Y629 PolarHBondContact SG-OH 3.38Å; C616-F630 WeakPolarHBondContact CB-O 3.3Å; C616-T688 WeakPolarHBondContact CA-OG1 3.45Å; C616-T688 PolarHBondContact N-OG1 3.31Å
617	L	98.7	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.7	176.8	-177	70.2	0	0	0	110.3	M556 L606 V619 F630 T688 A692 I695	M556-L617 HydrophobicContact CE-CD1 4.18Å; L606-L617 HydrophobicContact CD2-CD1 4.47Å; L617-V619 HydrophobicContact CD1-CG2 4.42Å; L617-V619 HydrophobicContact CD2-CG2 3.54Å; L617-V619 HydrophobicContact CG-CG2 3.7Å; L617-F630 HydrophobicContact CB-CB 4.29Å; L617-F630 PolarHBondContact N-O 3.07Å; L617-F630 PolarHBondContact O-N 2.78Å; L617-T688 HydrophobicContact CB-CG2 4.25Å; L617-A692 HydrophobicContact CD2-CB 3.83Å; L617-I695 HydrophobicContact CD2-CD1 4.3Å
618	S	98.5	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.7	157.1	-69.3	0	0	0	0	109.3	V607 I628 L644	V607-S618 PolarHBondContact N-O 3.41Å; V607-S618 PolarHBondContact O-N 3Å; S618-I628 WeakPolarHBondContact CA-O 3.32Å; S618-L644 WeakPolarHBondContact OG-CD1 3.29Å
619	V	98.7	Very high	96.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.4	173.1	-173.7	0	0	0	0	109.9	I604 L606 L617 V627 I628 F630 I695	I604-V619 HydrophobicContact CG2-CG1 3.62Å; L606-V619 HydrophobicContact CD2-CG1 4.32Å; L606-V619 HydrophobicContact CD2-CG2 3.98Å; L617-V619 HydrophobicContact CD1-CG2 4.42Å; L617-V619 HydrophobicContact CD2-CG2 3.54Å; L617-V619 HydrophobicContact CG-CG2 3.7Å; V619-V627 WeakPolarHBondContact O-CA 3.44Å; V619-I628 PolarHBondContact N-O 3.07Å; V619-I628 PolarHBondContact O-N 3.4Å; V619-F630 HydrophobicContact CB-CE2 4.17Å; V619-F630 HydrophobicContact CG2-CD2 4.19Å; V619-F630 HydrophobicContact CG2-CE2 3.88Å; V619-I695 HydrophobicContact CG1-CG2 4.11Å; V619-I695 HydrophobicContact CG2-CD1 3.98Å
620	V	98.6	Very high	96.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124	163	-171	0	0	0	0	107.5	I604 L605 F622 S626 V627 L648 W665	I604-V620 WeakPolarHBondContact CA-O 3.4Å; L605-V620 HydrophobicContact CB-CB 4.14Å; L605-V620 HydrophobicContact CB-CG2 4.49Å; L605-V620 PolarHBondContact N-O 3.45Å; L605-V620 PolarHBondContact O-N 3.47Å; V620-F622 HydrophobicContact CG1-CD1 4.18Å; V620-F622 HydrophobicContact CG1-CD2 4.27Å; V620-F622 HydrophobicContact CG1-CE1 3.96Å; V620-F622 HydrophobicContact CG1-CE2 4.08Å; V620-F622 HydrophobicContact CG1-CG 4.33Å; V620-F622 HydrophobicContact CG1-CZ 3.92Å; V620-S626 WeakPolarHBondContact CA-O 3.42Å; V620-V627 HydrophobicContact CG1-CG2 4.43Å; V620-V627 HydrophobicContact CG2-CG1 4.43Å; V620-V627 HydrophobicContact CG2-CG2 4.34Å; V620-L648 HydrophobicContact CG1-CD1 3.69Å; V620-L648 HydrophobicContact CG2-CD1 4.06Å; V620-W665 HydrophobicContact CG1-CH2 3.85Å; V620-W665 HydrophobicContact CG1-CZ3 3.85Å
621	D	98.2	Very high	97	Very high	6 Å²	6	32 Å²	32	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.2	166.9	-171.3	-35.9	0	0	0	107.8	R623 K624 K625 S626	D621-R623 VanDerWaalsContact C-N 3.28Å; D621-R623 PolarHBondContact O-N 2.87Å; D621-R623 VanDerWaalsContact OD1-CB 3.28Å; D621-R623 WeakPolarHBondContact OD1-CB 3.5Å; D621-R623 IonicContact OD1-CZ 3.93Å; D621-R623 PolarHBondContact OD1-N 2.99Å; D621-R623 IonicContact OD1-NE 2.94Å; D621-R623 PolarHBondContact OD1-NE 3.39Å; D621-R623 IonicContact OD1-NH2 3.03Å; D621-R623 IonicContact OD2-CZ 3.09Å; D621-R623 IonicContact OD2-NE 2.71Å; D621-R623 IonicContact OD2-NH2 3.32Å; D621-R623 PolarHBondContact OD2-NH2 2.74Å; D621-K624 HydrophobicContact CB-CB 4.14Å; D621-K624 HydrophobicContact CB-CD 4.47Å; D621-K624 HydrophobicContact CB-CG 4.37Å; D621-K624 PolarHBondContact O-N 2.75Å; D621-K624 PolarHBondContact OD1-N 3.24Å; D621-K624 VanDerWaalsContact OD1-N 3.16Å; D621-K624 WeakPolarHBondContact OD2-CD 3.47Å; D621-K624 IonicContact OD2-NZ 2.65Å; D621-K624 PolarHBondContact OD2-NZ 3.19Å; D621-K625 PolarHBondContact O-N 3.14Å; D621-S626 PolarHBondContact N-O 3.39Å; D621-S626 PolarHBondContact O-N 2.99Å
622	F	97.8	Very high	97.2	Very high	37 Å²	37	29.3 Å²	29.3	16%	0.162	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28	-176	-69.5	-78.6	0	0	0	112	I599 F600 K602 D603 L605 V620 K625 L648 W665	I599-F622 VanDerWaalsContact O-CE2 3.27Å; I599-F622 WeakPolarHBondContact O-CE2 3.48Å; F600-F622 AromaticContact CD1-CE1 3.83Å; F600-F622 HydrophobicContact CD1-CE1 3.83Å; F600-F622 HydrophobicContact CD1-CZ 4.19Å; F600-F622 HydrophobicContact CE1-CE1 4.13Å; K602-F622 WeakPolarHBondContact O-CD2 3.36Å; D603-F622 PolarHBondContact O-N 2.88Å; L605-F622 HydrophobicContact CB-CE2 4.06Å; V620-F622 HydrophobicContact CG1-CD1 4.18Å; V620-F622 HydrophobicContact CG1-CD2 4.27Å; V620-F622 HydrophobicContact CG1-CE1 3.96Å; V620-F622 HydrophobicContact CG1-CE2 4.08Å; V620-F622 HydrophobicContact CG1-CG 4.33Å; V620-F622 HydrophobicContact CG1-CZ 3.92Å; F622-K625 PolarHBondContact O-N 3.44Å; F622-L648 HydrophobicContact CE1-CD1 4.26Å; F622-L648 HydrophobicContact CE1-CD2 4.02Å; F622-L648 HydrophobicContact CZ-CD2 3.78Å; F622-W665 AromaticContact CD1-CH2 3.77Å; F622-W665 HydrophobicContact CD1-CH2 3.77Å; F622-W665 HydrophobicContact CD1-CZ2 4.15Å; F622-W665 HydrophobicContact CE1-CH2 4.13Å
623	R	96.6	Very high	97.4	Very high	102 Å²	102	27.8 Å²	27.8	39%	0.385	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-38.5	176.9	-46.4	166.6	-68.7	174.7	0.2	111	D603 D621 D698	D603-R623 HydrophobicContact CB-CG 3.95Å; D603-R623 VanDerWaalsContact OD1-CD 3.27Å; D603-R623 WeakPolarHBondContact OD1-CD 3.45Å; D603-R623 VanDerWaalsContact OD1-CG 3.28Å; D603-R623 WeakPolarHBondContact OD1-CG 3.41Å; D621-R623 VanDerWaalsContact C-N 3.28Å; D621-R623 PolarHBondContact O-N 2.87Å; D621-R623 VanDerWaalsContact OD1-CB 3.28Å; D621-R623 WeakPolarHBondContact OD1-CB 3.5Å; D621-R623 IonicContact OD1-CZ 3.93Å; D621-R623 PolarHBondContact OD1-N 2.99Å; D621-R623 IonicContact OD1-NE 2.94Å; D621-R623 PolarHBondContact OD1-NE 3.39Å; D621-R623 IonicContact OD1-NH2 3.03Å; D621-R623 IonicContact OD2-CZ 3.09Å; D621-R623 IonicContact OD2-NE 2.71Å; D621-R623 IonicContact OD2-NH2 3.32Å; D621-R623 PolarHBondContact OD2-NH2 2.74Å; R623-D698 IonicContact CZ-OD1 2.71Å; R623-D698 IonicContact CZ-OD2 2.72Å; R623-D698 IonicContact NH1-OD1 2.74Å; R623-D698 IonicContact NH1-OD2 3.69Å; R623-D698 PolarHBondContact NH1-OD2 3.41Å; R623-D698 VanDerWaalsContact NH2-CG 3.34Å; R623-D698 IonicContact NH2-OD1 2.8Å; R623-D698 PolarHBondContact NH2-OD1 3.32Å; R623-D698 IonicContact NH2-OD2 2.82Å; R623-D698 PolarHBondContact NH2-OD2 3.15Å
624	K	96.4	Very high	97.5	Very high	115 Å²	115	23 Å²	23	50%	0.5	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-2	179.7	-57.8	-176.6	-175	106.2	0	113.2	D621 S626 D698	D621-K624 HydrophobicContact CB-CB 4.14Å; D621-K624 HydrophobicContact CB-CD 4.47Å; D621-K624 HydrophobicContact CB-CG 4.37Å; D621-K624 PolarHBondContact O-N 2.75Å; D621-K624 PolarHBondContact OD1-N 3.24Å; D621-K624 VanDerWaalsContact OD1-N 3.16Å; D621-K624 WeakPolarHBondContact OD2-CD 3.47Å; D621-K624 IonicContact OD2-NZ 2.65Å; D621-K624 PolarHBondContact OD2-NZ 3.19Å; K624-S626 VanDerWaalsContact C-N 3.29Å; K624-S626 PolarHBondContact O-N 3.3Å; K624-D698 IonicContact NZ-OD1 3.18Å; K624-D698 PolarHBondContact NZ-OD1 3.45Å
625	K	97.6	Very high	97.2	Very high	62 Å²	62	23 Å²	23	27%	0.27	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	51.6	-169.9	-71.7	-174.9	164.6	-172.7	0	111.9	D621 F622 D661 S663 W665 T666	D621-K625 PolarHBondContact O-N 3.14Å; F622-K625 PolarHBondContact O-N 3.44Å; K625-D661 IonicContact NZ-OD2 3.71Å; K625-D661 PolarHBondContact NZ-OD2 3.44Å; K625-S663 WeakPolarHBondContact CD-O 3.34Å; K625-S663 PolarHBondContact NZ-O 2.92Å; K625-W665 HydrophobicContact CB-CD2 3.84Å; K625-W665 HydrophobicContact CB-CE3 4.26Å; K625-W665 HydrophobicContact CB-CG 4.01Å; K625-W665 HydrophobicContact CG-CD2 4.36Å; K625-W665 HydrophobicContact CG-CZ2 4.48Å; K625-W665 CarbonylContact O-C 3.58Å; K625-W665 VanDerWaalsContact O-CA 3.24Å; K625-W665 WeakPolarHBondContact O-CA 3.32Å; K625-T666 PolarHBondContact O-N 3.19Å
626	S	97.9	Very high	97	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.4	-174.4	65.4	0	0	0	0	113.2	V620 D621 K624 T666	V620-S626 WeakPolarHBondContact CA-O 3.42Å; D621-S626 PolarHBondContact N-O 3.39Å; D621-S626 PolarHBondContact O-N 2.99Å; K624-S626 VanDerWaalsContact C-N 3.29Å; K624-S626 PolarHBondContact O-N 3.3Å; S626-T666 CarbonylContact C-O 3.6Å; S626-T666 WeakPolarHBondContact CA-O 3.36Å; S626-T666 WeakPolarHBondContact CB-OG1 3.34Å
627	V	98.4	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107	165.9	-170.9	0	0	0	0	108.2	V619 V620 C641 L644 F645 L648 W665 T666 L667 H668	V619-V627 WeakPolarHBondContact O-CA 3.44Å; V620-V627 HydrophobicContact CG1-CG2 4.43Å; V620-V627 HydrophobicContact CG2-CG1 4.43Å; V620-V627 HydrophobicContact CG2-CG2 4.34Å; V627-C641 HydrophobicContact CB-CB 4.28Å; V627-C641 HydrophobicContact CG1-CB 3.91Å; V627-C641 PolarHBondContact O-SG 3.11Å; V627-L644 HydrophobicContact CG1-CB 4.23Å; V627-F645 HydrophobicContact CG2-CB 4.41Å; V627-F645 HydrophobicContact CG2-CD2 4.34Å; V627-L648 HydrophobicContact CG2-CD1 4.45Å; V627-W665 HydrophobicContact CG2-CE3 4.1Å; V627-W665 HydrophobicContact CG2-CZ3 3.87Å; V627-T666 PolarHBondContact N-O 2.94Å; V627-L667 HydrophobicContact CB-CG 4.46Å; V627-L667 WeakPolarHBondContact O-CA 3.42Å; V627-H668 PolarHBondContact O-N 3.22Å
628	I	98.3	Very high	96.6	Very high	26 Å²	26	31.9 Å²	31.9	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.4	-172	-51.7	-177.9	0	0	0	110.3	S618 V619 F630 H668 K670	S618-I628 WeakPolarHBondContact CA-O 3.32Å; V619-I628 PolarHBondContact N-O 3.07Å; V619-I628 PolarHBondContact O-N 3.4Å; I628-F630 HydrophobicContact CB-CE2 3.75Å; I628-F630 HydrophobicContact CB-CZ 4.2Å; I628-F630 HydrophobicContact CG2-CD2 4.16Å; I628-F630 HydrophobicContact CG2-CE1 4.44Å; I628-F630 HydrophobicContact CG2-CE2 3.49Å; I628-F630 VanDerWaalsContact CG2-CE2 3.49Å; I628-F630 HydrophobicContact CG2-CZ 3.65Å; I628-H668 VanDerWaalsContact CA-O 3.3Å; I628-H668 WeakPolarHBondContact CA-O 3.26Å; I628-K670 HydrophobicContact CG2-CD 4.03Å; I628-K670 HydrophobicContact CG2-CG 3.78Å
629	Y	98.7	Very high	96.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.2	176	-179.6	-98.4	0	0	0	111.5	V609 L611 C616 D631 N637 A640 H668 K670	V609-Y629 HydrophobicContact CB-CE2 4.4Å; V609-Y629 HydrophobicContact CG1-CE2 4.09Å; L611-Y629 WeakPolarHBondContact CD1-OH 3.29Å; C616-Y629 HydrophobicContact CB-CE1 4.5Å; C616-Y629 HydrophobicContact CB-CE2 3.7Å; C616-Y629 WeakPolarHBondContact CB-OH 3.3Å; C616-Y629 PolarHBondContact SG-OH 3.38Å; Y629-D631 HydrophobicContact CD1-CB 4.4Å; Y629-D631 HydrophobicContact CE1-CB 3.71Å; Y629-N637 HydrophobicContact CD1-CB 3.73Å; Y629-N637 HydrophobicContact CD2-CB 4.14Å; Y629-N637 HydrophobicContact CE1-CB 3.36Å; Y629-N637 HydrophobicContact CE2-CB 3.8Å; Y629-N637 HydrophobicContact CG-CB 4.08Å; Y629-N637 PolarHBondContact OH-ND2 3.4Å; Y629-A640 HydrophobicContact CD2-CB 4.14Å; Y629-A640 HydrophobicContact CE2-CB 4.28Å; Y629-H668 PolarHBondContact N-O 2.82Å; Y629-K670 PolarHBondContact O-N 2.98Å
630	F	98.4	Very high	96.3	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.6	-176.5	-62.3	-102.4	0	0	0	110.2	C616 L617 V619 I628 K670 I675 Y691 I695 I701	C616-F630 WeakPolarHBondContact CB-O 3.3Å; L617-F630 HydrophobicContact CB-CB 4.29Å; L617-F630 PolarHBondContact N-O 3.07Å; L617-F630 PolarHBondContact O-N 2.78Å; V619-F630 HydrophobicContact CB-CE2 4.17Å; V619-F630 HydrophobicContact CG2-CD2 4.19Å; V619-F630 HydrophobicContact CG2-CE2 3.88Å; I628-F630 HydrophobicContact CB-CE2 3.75Å; I628-F630 HydrophobicContact CB-CZ 4.2Å; I628-F630 HydrophobicContact CG2-CD2 4.16Å; I628-F630 HydrophobicContact CG2-CE1 4.44Å; I628-F630 HydrophobicContact CG2-CE2 3.49Å; I628-F630 VanDerWaalsContact CG2-CE2 3.49Å; I628-F630 HydrophobicContact CG2-CZ 3.65Å; F630-K670 HydrophobicContact CD1-CB 4.48Å; F630-K670 HydrophobicContact CD1-CG 3.89Å; F630-K670 HydrophobicContact CE1-CG 3.73Å; F630-K670 HydrophobicContact CZ-CG 4.24Å; F630-I675 HydrophobicContact CB-CD1 4.3Å; F630-I675 HydrophobicContact CD1-CD1 4.24Å; F630-I675 HydrophobicContact CD1-CG2 4.04Å; F630-I675 HydrophobicContact CE1-CG2 4.25Å; F630-Y691 HydrophobicContact CB-CD2 3.75Å; F630-Y691 HydrophobicContact CB-CE2 4.02Å; F630-Y691 HydrophobicContact CB-CG 4.48Å; F630-Y691 HydrophobicContact CG-CD2 4.47Å; F630-I695 HydrophobicContact CD1-CD1 4.28Å; F630-I695 HydrophobicContact CD2-CD1 4.31Å; F630-I695 HydrophobicContact CE1-CD1 3.71Å; F630-I695 HydrophobicContact CE2-CD1 3.73Å; F630-I695 HydrophobicContact CZ-CD1 3.41Å; F630-I695 VanDerWaalsContact CZ-CD1 3.41Å; F630-I695 HydrophobicContact CZ-CG1 4.37Å; F630-I701 HydrophobicContact CE1-CD1 4.21Å
631	D	98.1	Very high	96.3	Very high	12 Å²	12	38 Å²	38	6%	0.064	20%	0.199	C	C	.	.			trans	-134.7	119.5	178.9	-178.8	-4.6	0	0	0	110	H614 Y629 M633 G634 G635	H614-D631 IonicContact CD2-OD1 2.74Å; H614-D631 IonicContact CE1-OD1 3.17Å; H614-D631 IonicContact NE2-OD1 2.76Å; H614-D631 PolarHBondContact NE2-OD1 3.32Å; H614-D631 IonicContact NE2-OD2 3.12Å; Y629-D631 HydrophobicContact CD1-CB 4.4Å; Y629-D631 HydrophobicContact CE1-CB 3.71Å; D631-M633 VanDerWaalsContact C-N 3.29Å; D631-M633 PolarHBondContact O-N 3.22Å; D631-M633 WeakPolarHBondContact OD1-CA 3.44Å; D631-M633 WeakPolarHBondContact OD1-CB 3.19Å; D631-M633 PolarHBondContact OD1-N 2.93Å; D631-G634 PolarHBondContact O-N 2.87Å; D631-G635 WeakPolarHBondContact CB-O 3.41Å; D631-G635 WeakPolarHBondContact OD2-CA 3.44Å; D631-G635 PolarHBondContact OD2-N 3.29Å
632	S	96.9	Very high	96.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.2	177.8	43.1	0	0	0	0	114.2	Q677 Q678 F687 Y691	S632-Q677 CarbonylContact O-C 3.41Å; S632-Q677 VanDerWaalsContact O-CA 3.28Å; S632-Q677 WeakPolarHBondContact O-CA 3.46Å; S632-Q677 PolarHBondContact O-OE1 2.91Å; S632-Q678 PolarHBondContact O-N 3.24Å; S632-Q678 PolarHBondContact OG-OE1 3.08Å; S632-F687 VanDerWaalsContact CB-CG 3.48Å; S632-F687 WeakPolarHBondContact OG-CB 3.36Å; S632-Y691 WeakPolarHBondContact CA-OH 3.23Å; S632-Y691 WeakPolarHBondContact CB-OH 3.29Å
633	M	95.3	Very high	96.3	Very high	30 Å²	30	42.2 Å²	42.2	15%	0.148	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.8	169	-63.9	-178	72.3	0	0	112.8	Y434 R441 H614 D631 Q678	Y434-M633 HydrophobicContact CE1-CE 3.85Å; R441-M633 PolarHBondContact NH2-O 2.87Å; H614-M633 VanDerWaalsContact CE1-SD 3.51Å; D631-M633 VanDerWaalsContact C-N 3.29Å; D631-M633 PolarHBondContact O-N 3.22Å; D631-M633 WeakPolarHBondContact OD1-CA 3.44Å; D631-M633 WeakPolarHBondContact OD1-CB 3.19Å; D631-M633 PolarHBondContact OD1-N 2.93Å; M633-Q678 HydrophobicContact CG-CG 3.87Å
634	G	91.1	Very high	96.4	Very high	23 Å²	23	37.5 Å²	37.5	24%	0.237	20%	0.203	C	C	.	.			trans	89.8	19.3	172.8	0	0	0	0	0	115.6	D631 Q677	D631-G634 PolarHBondContact O-N 2.87Å; G634-Q677 VanDerWaalsContact N-OE1 3.07Å
635	G	90.8	Very high	96.5	Very high	27 Å²	27	32.8 Å²	32.8	28%	0.278	18%	0.182	S	C	.	.			trans	-77.9	143.2	172.7	0	0	0	0	0	112.9	D631	D631-G635 WeakPolarHBondContact CB-O 3.41Å; D631-G635 WeakPolarHBondContact OD2-CA 3.44Å; D631-G635 PolarHBondContact OD2-N 3.29Å
636	S	92.9	Very high	96.5	Very high	94 Å²	94	32.7 Å²	32.7	66%	0.657	19%	0.185	S	C	*	.			trans	-90	142.2	167.2	52.5	0	0	0	0	111	S669	S636-S669 WeakPolarHBondContact CA-OG 3.31Å
637	N	94.1	Very high	96.5	Very high	25 Å²	25	32.5 Å²	32.5	13%	0.134	18%	0.183	C	C	.	.			trans	-147.2	56.4	179.2	-162.6	-8.1	0	0	0	110.5	Y629 Q639 A640 S669	Y629-N637 HydrophobicContact CD1-CB 3.73Å; Y629-N637 HydrophobicContact CD2-CB 4.14Å; Y629-N637 HydrophobicContact CE1-CB 3.36Å; Y629-N637 HydrophobicContact CE2-CB 3.8Å; Y629-N637 HydrophobicContact CG-CB 4.08Å; Y629-N637 PolarHBondContact OH-ND2 3.4Å; N637-Q639 PolarHBondContact O-N 3.15Å; N637-Q639 VanDerWaalsContact O-N 3.11Å; N637-A640 HydrophobicContact CB-CB 4.23Å; N637-A640 WeakPolarHBondContact O-CA 3.41Å; N637-A640 VanDerWaalsContact O-CB 3.28Å; N637-A640 WeakPolarHBondContact O-CB 3.16Å; N637-A640 PolarHBondContact O-N 3.08Å; N637-A640 PolarHBondContact OD1-N 2.82Å; N637-S669 PolarHBondContact N-OG 3.26Å
638	D	94.4	Very high	96.5	Very high	80 Å²	80	32.6 Å²	32.6	43%	0.428	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-21	-179.1	-53.1	-43.9	0	0	0	112	A640 C641 Q642 S669	D638-A640 VanDerWaalsContact C-N 3.34Å; D638-C641 WeakPolarHBondContact O-CB 3.45Å; D638-C641 PolarHBondContact O-N 2.96Å; D638-Q642 PolarHBondContact O-N 3.47Å; D638-S669 PolarHBondContact N-OG 3.48Å; D638-S669 WeakPolarHBondContact OD1-CB 3.39Å; D638-S669 PolarHBondContact OD1-N 2.94Å; D638-S669 PolarHBondContact OD1-OG 3.39Å
639	Q	95.8	Very high	96.5	Very high	136 Å²	136	32.9 Å²	32.9	64%	0.636	18%	0.184	S	C	*	.	H	α-helix	trans	-62.6	-35.4	167.4	-70.9	-166.4	-14.1	0	0	113	N637 C641 Q642 I643	N637-Q639 PolarHBondContact O-N 3.15Å; N637-Q639 VanDerWaalsContact O-N 3.11Å; Q639-C641 VanDerWaalsContact C-N 3.33Å; Q639-Q642 PolarHBondContact O-N 2.84Å; Q639-I643 WeakPolarHBondContact O-CB 3.37Å; Q639-I643 WeakPolarHBondContact O-CD1 3.46Å; Q639-I643 WeakPolarHBondContact O-CG1 3.37Å; Q639-I643 PolarHBondContact O-N 3.45Å
640	A	96.7	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-38.1	172.6	0	0	0	0	0	111.6	Y579 Y629 N637 D638 L644	Y579-A640 HydrophobicContact CE2-CB 3.95Å; Y579-A640 WeakPolarHBondContact OH-CA 3.29Å; Y579-A640 VanDerWaalsContact OH-CB 3.26Å; Y579-A640 WeakPolarHBondContact OH-CB 3.45Å; Y629-A640 HydrophobicContact CD2-CB 4.14Å; Y629-A640 HydrophobicContact CE2-CB 4.28Å; N637-A640 HydrophobicContact CB-CB 4.23Å; N637-A640 WeakPolarHBondContact O-CA 3.41Å; N637-A640 VanDerWaalsContact O-CB 3.28Å; N637-A640 WeakPolarHBondContact O-CB 3.16Å; N637-A640 PolarHBondContact O-N 3.08Å; N637-A640 PolarHBondContact OD1-N 2.82Å; D638-A640 VanDerWaalsContact C-N 3.34Å; A640-L644 WeakPolarHBondContact O-CB 3.41Å; A640-L644 VanDerWaalsContact O-CG 3.27Å; A640-L644 WeakPolarHBondContact O-CG 3.33Å; A640-L644 PolarHBondContact O-N 3.24Å; A640-L644 VanDerWaalsContact O-N 3.13Å
641	C	97.8	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-46.1	172.2	-66	0	0	0	0	111.4	V627 D638 Q639 L644 F645 L667	V627-C641 HydrophobicContact CB-CB 4.28Å; V627-C641 HydrophobicContact CG1-CB 3.91Å; V627-C641 PolarHBondContact O-SG 3.11Å; D638-C641 WeakPolarHBondContact O-CB 3.45Å; D638-C641 PolarHBondContact O-N 2.96Å; Q639-C641 VanDerWaalsContact C-N 3.33Å; C641-L644 PolarHBondContact O-N 3.28Å; C641-F645 WeakPolarHBondContact O-CB 3.2Å; C641-F645 PolarHBondContact O-N 2.91Å; C641-L667 HydrophobicContact CB-CB 4.07Å; C641-L667 HydrophobicContact CB-CD2 4.34Å
642	Q	97.9	Very high	96.4	Very high	87 Å²	87	35 Å²	35	41%	0.407	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-48.7	178.6	-172.2	62.3	49.6	0	0	112	D638 Q639 L644 F645 D646	D638-Q642 PolarHBondContact O-N 3.47Å; Q639-Q642 PolarHBondContact O-N 2.84Å; Q642-L644 PolarHBondContact O-N 3.35Å; Q642-F645 PolarHBondContact O-N 3.23Å; Q642-D646 PolarHBondContact NE2-OD1 3.3Å; Q642-D646 PolarHBondContact NE2-OD2 2.88Å; Q642-D646 VanDerWaalsContact O-CG 3.26Å; Q642-D646 PolarHBondContact O-N 2.98Å
643	I	98.3	Very high	96.4	Very high	44 Å²	44	40.8 Å²	40.8	23%	0.226	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-38.3	177.4	-71.7	164.3	0	0	0	111.5	Y579 L582 R583 Q639 Y647	Y579-I643 HydrophobicContact CE2-CB 4.45Å; Y579-I643 HydrophobicContact CE2-CG2 4.09Å; L582-I643 HydrophobicContact CD2-CG2 3.85Å; L582-I643 HydrophobicContact CG-CG2 3.89Å; R583-I643 HydrophobicContact CG-CD1 4.19Å; Q639-I643 WeakPolarHBondContact O-CB 3.37Å; Q639-I643 WeakPolarHBondContact O-CD1 3.46Å; Q639-I643 WeakPolarHBondContact O-CG1 3.37Å; Q639-I643 PolarHBondContact O-N 3.45Å; I643-Y647 WeakPolarHBondContact O-CB 3.4Å; I643-Y647 PolarHBondContact O-N 2.9Å
644	L	98.3	Very high	96.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-74.4	-35.9	176.7	-70.9	171	0	0	0	112.6	F578 Y579 L582 V607 S618 V627 A640 C641 Q642 Y647 L648	F578-L644 HydrophobicContact CE1-CD2 3.85Å; Y579-L644 HydrophobicContact CD2-CD1 4.47Å; Y579-L644 HydrophobicContact CD2-CD2 4.17Å; Y579-L644 HydrophobicContact CD2-CG 4.25Å; Y579-L644 HydrophobicContact CE2-CG 4.46Å; L582-L644 HydrophobicContact CD2-CD2 3.93Å; V607-L644 HydrophobicContact CB-CD1 4.28Å; V607-L644 HydrophobicContact CG1-CD1 4.36Å; V607-L644 HydrophobicContact CG1-CD2 4.07Å; V607-L644 HydrophobicContact CG2-CD1 4.25Å; V607-L644 HydrophobicContact CG2-CD2 4.3Å; S618-L644 WeakPolarHBondContact OG-CD1 3.29Å; V627-L644 HydrophobicContact CG1-CB 4.23Å; A640-L644 WeakPolarHBondContact O-CB 3.41Å; A640-L644 VanDerWaalsContact O-CG 3.27Å; A640-L644 WeakPolarHBondContact O-CG 3.33Å; A640-L644 PolarHBondContact O-N 3.24Å; A640-L644 VanDerWaalsContact O-N 3.13Å; C641-L644 PolarHBondContact O-N 3.28Å; Q642-L644 PolarHBondContact O-N 3.35Å; L644-Y647 WeakPolarHBondContact O-CB 3.26Å; L644-Y647 PolarHBondContact O-N 3.43Å; L644-L648 WeakPolarHBondContact O-CG 3.17Å; L644-L648 PolarHBondContact O-N 2.92Å
645	F	98.2	Very high	96.7	Very high	16 Å²	16	45.6 Å²	45.6	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-37.7	174.9	-172.3	-115.5	0	0	0	112.6	V627 C641 Q642 Y647 L648 Q649 L660 T662 W665 L667	V627-F645 HydrophobicContact CG2-CB 4.41Å; V627-F645 HydrophobicContact CG2-CD2 4.34Å; C641-F645 WeakPolarHBondContact O-CB 3.2Å; C641-F645 PolarHBondContact O-N 2.91Å; Q642-F645 PolarHBondContact O-N 3.23Å; F645-Y647 VanDerWaalsContact C-N 3.32Å; F645-L648 PolarHBondContact O-N 3.14Å; F645-Q649 WeakPolarHBondContact O-CG 3.29Å; F645-Q649 PolarHBondContact O-N 3.49Å; F645-Q649 PolarHBondContact O-NE2 3.27Å; F645-Q649 VanDerWaalsContact O-NE2 3.16Å; F645-L660 HydrophobicContact CE2-CD2 4.15Å; F645-T662 HydrophobicContact CE1-CG2 3.98Å; F645-T662 HydrophobicContact CZ-CG2 3.67Å; F645-W665 HydrophobicContact CD2-CD2 4.2Å; F645-W665 HydrophobicContact CD2-CE3 4.09Å; F645-W665 HydrophobicContact CE2-CB 3.86Å; F645-W665 AromaticContact CE2-CD1 3.99Å; F645-W665 AromaticContact CE2-CD2 3.5Å; F645-W665 HydrophobicContact CE2-CD2 3.5Å; F645-W665 AromaticContact CE2-CE2 3.97Å; F645-W665 AromaticContact CE2-CE3 3.86Å; F645-W665 HydrophobicContact CE2-CE3 3.86Å; F645-W665 AromaticContact CE2-CG 3.51Å; F645-W665 HydrophobicContact CE2-CG 3.51Å; F645-W665 HydrophobicContact CZ-CB 3.96Å; F645-W665 HydrophobicContact CZ-CD2 4.39Å; F645-W665 AromaticContact CZ-CG 3.93Å; F645-W665 HydrophobicContact CZ-CG 3.93Å; F645-L667 HydrophobicContact CB-CD2 3.67Å; F645-L667 HydrophobicContact CD1-CD1 4.43Å; F645-L667 HydrophobicContact CD1-CD2 4.09Å; F645-L667 HydrophobicContact CG-CD1 4.44Å; F645-L667 HydrophobicContact CG-CD2 3.95Å
646	D	98.1	Very high	97	Very high	60 Å²	60	48.4 Å²	48.4	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-34.9	171.7	-63.5	-24.7	0	0	0	111.4	Q642 Q649 Q650	Q642-D646 PolarHBondContact NE2-OD1 3.3Å; Q642-D646 PolarHBondContact NE2-OD2 2.88Å; Q642-D646 VanDerWaalsContact O-CG 3.26Å; Q642-D646 PolarHBondContact O-N 2.98Å; D646-Q649 PolarHBondContact OD1-NE2 3.34Å; D646-Q649 VanDerWaalsContact OD1-NE2 3.1Å; D646-Q650 WeakPolarHBondContact O-CG 3.49Å; D646-Q650 PolarHBondContact O-N 2.8Å; D646-Q650 VanDerWaalsContact O-N 3.12Å; D646-Q650 PolarHBondContact O-NE2 3.2Å
647	Y	98.5	Very high	97.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-45.6	169.3	165.1	-93	0	0	0	112	F574 F578 L582 Y587 V590 T594 I599 I643 L644 F645 Q649 Q650 E651	F574-Y647 AromaticContact CE2-CE1 3.9Å; F574-Y647 HydrophobicContact CE2-CE1 3.9Å; F574-Y647 AromaticContact CZ-CE1 3.74Å; F574-Y647 HydrophobicContact CZ-CE1 3.74Å; F574-Y647 AromaticContact CZ-CZ 3.82Å; F574-Y647 WeakPolarHBondContact CZ-OH 3.14Å; F578-Y647 HydrophobicContact CE2-CD2 4.33Å; F578-Y647 HydrophobicContact CE2-CE1 4.47Å; F578-Y647 AromaticContact CE2-CE2 3.88Å; F578-Y647 HydrophobicContact CE2-CE2 3.88Å; F578-Y647 AromaticContact CE2-CZ 3.98Å; F578-Y647 AromaticContact CZ-CD1 3.93Å; F578-Y647 HydrophobicContact CZ-CD1 3.93Å; F578-Y647 AromaticContact CZ-CD2 3.82Å; F578-Y647 HydrophobicContact CZ-CD2 3.82Å; F578-Y647 AromaticContact CZ-CE1 3.77Å; F578-Y647 HydrophobicContact CZ-CE1 3.77Å; F578-Y647 AromaticContact CZ-CE2 3.71Å; F578-Y647 HydrophobicContact CZ-CE2 3.71Å; F578-Y647 AromaticContact CZ-CG 3.99Å; F578-Y647 HydrophobicContact CZ-CG 3.99Å; F578-Y647 AromaticContact CZ-CZ 3.7Å; L582-Y647 HydrophobicContact CD1-CD2 4.07Å; L582-Y647 HydrophobicContact CD1-CG 4.48Å; L582-Y647 HydrophobicContact CD2-CD2 4.2Å; L582-Y647 HydrophobicContact CD2-CG 3.98Å; Y587-Y647 AromaticContact CD2-CD2 3.63Å; Y587-Y647 HydrophobicContact CD2-CD2 3.63Å; Y587-Y647 AromaticContact CD2-CE2 3.8Å; Y587-Y647 HydrophobicContact CD2-CE2 3.8Å; Y587-Y647 AromaticContact CE2-CD2 3.95Å; Y587-Y647 HydrophobicContact CE2-CD2 3.95Å; Y587-Y647 AromaticContact CE2-CE2 3.66Å; Y587-Y647 HydrophobicContact CE2-CE2 3.66Å; V590-Y647 HydrophobicContact CG2-CD2 4.12Å; V590-Y647 HydrophobicContact CG2-CE2 4.02Å; T594-Y647 WeakPolarHBondContact CG2-OH 3.14Å; I599-Y647 HydrophobicContact CD1-CE1 3.82Å; I643-Y647 WeakPolarHBondContact O-CB 3.4Å; I643-Y647 PolarHBondContact O-N 2.9Å; L644-Y647 WeakPolarHBondContact O-CB 3.26Å; L644-Y647 PolarHBondContact O-N 3.43Å; F645-Y647 VanDerWaalsContact C-N 3.32Å; Y647-Q649 VanDerWaalsContact C-N 3.34Å; Y647-Q649 PolarHBondContact O-N 3.05Å; Y647-Q650 PolarHBondContact O-N 3.49Å; Y647-E651 HydrophobicContact CE1-CB 4.37Å; Y647-E651 HydrophobicContact CE2-CB 4.39Å; Y647-E651 WeakPolarHBondContact CE2-OE2 3.35Å; Y647-E651 VanDerWaalsContact CZ-OE2 3.26Å; Y647-E651 WeakPolarHBondContact O-CB 3.24Å; Y647-E651 PolarHBondContact O-N 3.38Å; Y647-E651 PolarHBondContact OH-OE2 3.06Å
648	L	98.1	Very high	97.1	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-39.3	177.8	-67.7	173.3	0	0	0	112.5	I599 F600 L605 V620 F622 V627 L644 F645 S652 L660 W665	I599-L648 HydrophobicContact CD1-CD2 3.73Å; F600-L648 HydrophobicContact CE1-CD2 4.3Å; F600-L648 WeakPolarHBondContact CZ-O 3.42Å; L605-L648 HydrophobicContact CD2-CD2 4.44Å; V620-L648 HydrophobicContact CG1-CD1 3.69Å; V620-L648 HydrophobicContact CG2-CD1 4.06Å; F622-L648 HydrophobicContact CE1-CD1 4.26Å; F622-L648 HydrophobicContact CE1-CD2 4.02Å; F622-L648 HydrophobicContact CZ-CD2 3.78Å; V627-L648 HydrophobicContact CG2-CD1 4.45Å; L644-L648 WeakPolarHBondContact O-CG 3.17Å; L644-L648 PolarHBondContact O-N 2.92Å; F645-L648 PolarHBondContact O-N 3.14Å; L648-S652 WeakPolarHBondContact O-CB 3.24Å; L648-S652 PolarHBondContact O-N 3.32Å; L648-L660 HydrophobicContact CB-CD2 3.75Å; L648-W665 HydrophobicContact CD1-CH2 4.11Å; L648-W665 HydrophobicContact CD1-CZ3 4.33Å
649	Q	97.9	Very high	97.1	Very high	33 Å²	33	54 Å²	54	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-47.1	174.2	-71	167.6	84.3	0	0	111.4	F645 D646 Y647 S652 R653 L660 T662	F645-Q649 WeakPolarHBondContact O-CG 3.29Å; F645-Q649 PolarHBondContact O-N 3.49Å; F645-Q649 PolarHBondContact O-NE2 3.27Å; F645-Q649 VanDerWaalsContact O-NE2 3.16Å; D646-Q649 PolarHBondContact OD1-NE2 3.34Å; D646-Q649 VanDerWaalsContact OD1-NE2 3.1Å; Y647-Q649 VanDerWaalsContact C-N 3.34Å; Y647-Q649 PolarHBondContact O-N 3.05Å; Q649-S652 PolarHBondContact O-N 3.43Å; Q649-R653 WeakPolarHBondContact O-CG 3.24Å; Q649-R653 PolarHBondContact O-N 3.21Å; Q649-R653 VanDerWaalsContact O-N 3.11Å; Q649-L660 HydrophobicContact CG-CB 4.14Å; Q649-L660 HydrophobicContact CG-CD2 4.15Å; Q649-T662 HydrophobicContact CG-CG2 4.4Å
650	Q	98.1	Very high	97	Very high	72 Å²	72	48.8 Å²	48.8	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-66.6	-39.8	178.8	-72.3	167.4	96.1	0	0	112.7	Y587 D646 Y647 R653 D654	Y587-Q650 HydrophobicContact CD1-CB 4.04Å; Y587-Q650 HydrophobicContact CD2-CB 3.56Å; Y587-Q650 HydrophobicContact CE1-CB 4.37Å; Y587-Q650 HydrophobicContact CE2-CB 3.96Å; Y587-Q650 HydrophobicContact CG-CB 3.66Å; Y587-Q650 HydrophobicContact CG-CG 4.37Å; D646-Q650 WeakPolarHBondContact O-CG 3.49Å; D646-Q650 PolarHBondContact O-N 2.8Å; D646-Q650 VanDerWaalsContact O-N 3.12Å; D646-Q650 PolarHBondContact O-NE2 3.2Å; Y647-Q650 PolarHBondContact O-N 3.49Å; Q650-R653 PolarHBondContact O-N 2.98Å; Q650-D654 WeakPolarHBondContact O-CB 3.35Å; Q650-D654 PolarHBondContact O-N 2.86Å
651	E	98.1	Very high	96.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-36.4	175.6	-170.7	79.5	-158.9	0	0	111.4	Y587 T594 I599 F600 Y647 D654 K655	Y587-E651 HydrophobicContact CE2-CB 3.99Å; Y587-E651 VanDerWaalsContact CE2-OE2 3.3Å; Y587-E651 WeakPolarHBondContact CE2-OE2 3.46Å; Y587-E651 PolarHBondContact OH-OE2 2.91Å; T594-E651 WeakPolarHBondContact CB-OE1 3.33Å; T594-E651 WeakPolarHBondContact CG2-OE1 3.36Å; T594-E651 PolarHBondContact OG1-OE1 3.14Å; T594-E651 PolarHBondContact OG1-OE2 2.86Å; I599-E651 HydrophobicContact CD1-CB 4.45Å; I599-E651 HydrophobicContact CD1-CG 3.81Å; I599-E651 HydrophobicContact CG1-CG 4.18Å; F600-E651 HydrophobicContact CE2-CB 4.25Å; F600-E651 HydrophobicContact CE2-CG 3.87Å; F600-E651 HydrophobicContact CZ-CB 4.08Å; F600-E651 HydrophobicContact CZ-CG 4.15Å; Y647-E651 HydrophobicContact CE1-CB 4.37Å; Y647-E651 HydrophobicContact CE2-CB 4.39Å; Y647-E651 WeakPolarHBondContact CE2-OE2 3.35Å; Y647-E651 VanDerWaalsContact CZ-OE2 3.26Å; Y647-E651 WeakPolarHBondContact O-CB 3.24Å; Y647-E651 PolarHBondContact O-N 3.38Å; Y647-E651 PolarHBondContact OH-OE2 3.06Å; E651-D654 PolarHBondContact O-N 3.18Å; E651-K655 HydrophobicContact CG-CG 3.97Å; E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.43Å; E651-K655 WeakPolarHBondContact O-CG 3.37Å; E651-K655 PolarHBondContact O-N 2.9Å; E651-K655 WeakPolarHBondContact OE1-CE 3.35Å; E651-K655 WeakPolarHBondContact OE1-CG 3.4Å
652	S	97.4	Very high	96.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-43.7	173.3	-175.7	0	0	0	0	111.5	L648 Q649 K656 G657 K658	L648-S652 WeakPolarHBondContact O-CB 3.24Å; L648-S652 PolarHBondContact O-N 3.32Å; Q649-S652 PolarHBondContact O-N 3.43Å; S652-K656 CarbonylContact O-C 3.17Å; S652-K656 VanDerWaalsContact O-CA 3.31Å; S652-K656 WeakPolarHBondContact O-CA 3.19Å; S652-K656 VanDerWaalsContact O-CB 3.26Å; S652-K656 WeakPolarHBondContact O-CB 3.31Å; S652-K656 PolarHBondContact O-N 3.38Å; S652-G657 PolarHBondContact O-N 2.85Å; S652-K658 CarbonylContact C-O 3.57Å; S652-K658 WeakPolarHBondContact CB-O 3.49Å; S652-K658 PolarHBondContact OG-O 3.15Å
653	R	97.4	Very high	96.5	Very high	123 Å²	123	55.5 Å²	55.5	46%	0.464	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-50	175.1	-68.8	172.1	-178.5	162.5	7.9	111.5	Q649 Q650 G657 K658 E659	Q649-R653 WeakPolarHBondContact O-CG 3.24Å; Q649-R653 PolarHBondContact O-N 3.21Å; Q649-R653 VanDerWaalsContact O-N 3.11Å; Q650-R653 PolarHBondContact O-N 2.98Å; R653-G657 WeakPolarHBondContact O-CA 3.41Å; R653-G657 PolarHBondContact O-N 3.35Å; R653-K658 PolarHBondContact N-O 2.84Å; R653-E659 IonicContact CZ-OE1 2.8Å; R653-E659 IonicContact CZ-OE2 2.92Å; R653-E659 VanDerWaalsContact CZ-OE2 3.22Å; R653-E659 IonicContact NE-OE1 3.94Å; R653-E659 PolarHBondContact NE-OE1 3.31Å; R653-E659 IonicContact NE-OE2 2.94Å; R653-E659 PolarHBondContact NE-OE2 2.92Å; R653-E659 IonicContact NH2-OE1 2.66Å; R653-E659 PolarHBondContact NH2-OE1 3.4Å; R653-E659 IonicContact NH2-OE2 3.53Å; R653-E659 PolarHBondContact NH2-OE2 3.39Å
654	D	96.7	Very high	96.3	Very high	76 Å²	76	56.5 Å²	56.5	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-75.9	-31.9	-173.6	-174	87.8	0	0	0	114	Y587 Q650 E651	Y587-D654 HydrophobicContact CE1-CB 3.96Å; Y587-D654 VanDerWaalsContact OH-CB 3.25Å; Y587-D654 WeakPolarHBondContact OH-CB 3.49Å; Y587-D654 PolarHBondContact OH-OD2 3.29Å; Q650-D654 WeakPolarHBondContact O-CB 3.35Å; Q650-D654 PolarHBondContact O-N 2.86Å; E651-D654 PolarHBondContact O-N 3.18Å
655	K	96.3	Very high	96.3	Very high	77 Å²	77	58 Å²	58	34%	0.335	32%	0.317	S	S	.	.	H	α-helix	trans	-101.4	-28.6	-179.1	-53.8	-47.7	178.1	-155.1	0	115.2	R591 T594 E651	R591-K655 PolarHBondContact O-NZ 3.46Å; T594-K655 VanDerWaalsContact OG1-CE 3.32Å; T594-K655 WeakPolarHBondContact OG1-CE 3.42Å; E651-K655 HydrophobicContact CG-CG 3.97Å; E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.43Å; E651-K655 WeakPolarHBondContact O-CG 3.37Å; E651-K655 PolarHBondContact O-N 2.9Å; E651-K655 WeakPolarHBondContact OE1-CE 3.35Å; E651-K655 WeakPolarHBondContact OE1-CG 3.4Å
656	K	95.4	Very high	96.2	Very high	87 Å²	87	60.4 Å²	60.4	38%	0.378	33%	0.333	S	S	.	.	H	α-helix	trans	-116.7	-5.5	-172.7	-57.1	-61	-170.4	175.7	0	113.4	D598 F600 S652 K658	D598-K656 WeakPolarHBondContact OD1-CE 3.41Å; D598-K656 IonicContact OD1-NZ 3.7Å; D598-K656 PolarHBondContact OD1-NZ 3Å; D598-K656 VanDerWaalsContact OD1-NZ 3.09Å; D598-K656 IonicContact OD2-NZ 3.2Å; D598-K656 PolarHBondContact OD2-NZ 3.15Å; F600-K656 HydrophobicContact CD2-CG 4.04Å; F600-K656 HydrophobicContact CE2-CG 4.34Å; S652-K656 CarbonylContact O-C 3.17Å; S652-K656 VanDerWaalsContact O-CA 3.31Å; S652-K656 WeakPolarHBondContact O-CA 3.19Å; S652-K656 VanDerWaalsContact O-CB 3.26Å; S652-K656 WeakPolarHBondContact O-CB 3.31Å; S652-K656 PolarHBondContact O-N 3.38Å; K656-K658 HydrophobicContact CB-CD 4.24Å; K656-K658 HydrophobicContact CB-CG 3.8Å; K656-K658 PolarHBondContact O-N 2.94Å
657	G	94.8	Very high	96.2	Very high	72 Å²	72	60.2 Å²	60.2	74%	0.742	33%	0.332	S	S	*	.	S	Bend	trans	63	20.9	-180	0	0	0	0	0	113.7	S652 R653	S652-G657 PolarHBondContact O-N 2.85Å; R653-G657 WeakPolarHBondContact O-CA 3.41Å; R653-G657 PolarHBondContact O-N 3.35Å
658	K	95	Very high	96.1	Very high	130 Å²	130	62.9 Å²	62.9	57%	0.565	34%	0.344	S	S	*	.	S	Bend	trans	-139.3	151.5	-173.9	70.3	176.7	-172.3	168.9	0	111.7	S652 R653 K656	S652-K658 CarbonylContact C-O 3.57Å; S652-K658 WeakPolarHBondContact CB-O 3.49Å; S652-K658 PolarHBondContact OG-O 3.15Å; R653-K658 PolarHBondContact N-O 2.84Å; K656-K658 HydrophobicContact CB-CD 4.24Å; K656-K658 HydrophobicContact CB-CG 3.8Å; K656-K658 PolarHBondContact O-N 2.94Å
659	E	94.7	Very high	96	Very high	114 Å²	114	63.5 Å²	63.5	53%	0.533	35%	0.348	S	S	.	.			trans	-60.6	146.4	164.5	-65	-54.4	136.9	0	0	111.3	R653	R653-E659 IonicContact CZ-OE1 2.8Å; R653-E659 IonicContact CZ-OE2 2.92Å; R653-E659 VanDerWaalsContact CZ-OE2 3.22Å; R653-E659 IonicContact NE-OE1 3.94Å; R653-E659 PolarHBondContact NE-OE1 3.31Å; R653-E659 IonicContact NE-OE2 2.94Å; R653-E659 PolarHBondContact NE-OE2 2.92Å; R653-E659 IonicContact NH2-OE1 2.66Å; R653-E659 PolarHBondContact NH2-OE1 3.4Å; R653-E659 IonicContact NH2-OE2 3.53Å; R653-E659 PolarHBondContact NH2-OE2 3.39Å
660	L	94.1	Very high	96	Very high	26 Å²	26	64 Å²	64	14%	0.136	35%	0.35	C	S	.	.			trans	-79.2	130.7	167.5	-179	64.8	0	0	0	108.2	F600 F645 L648 Q649 T662 W665	F600-L660 HydrophobicContact CE1-CD1 4.36Å; F645-L660 HydrophobicContact CE2-CD2 4.15Å; L648-L660 HydrophobicContact CB-CD2 3.75Å; Q649-L660 HydrophobicContact CG-CB 4.14Å; Q649-L660 HydrophobicContact CG-CD2 4.15Å; L660-T662 PolarHBondContact O-N 2.68Å; L660-W665 HydrophobicContact CD2-CZ2 4.47Å
661	D	93.8	Very high	95.8	Very high	86 Å²	86	67.1 Å²	67.1	46%	0.46	36%	0.362	S	S	.	.			trans	-64.4	107.4	168.9	167.2	30	0	0	0	109.5	K625 S663 W665	K625-D661 IonicContact NZ-OD2 3.71Å; K625-D661 PolarHBondContact NZ-OD2 3.44Å; D661-S663 VanDerWaalsContact OD1-CB 3.23Å; D661-S663 WeakPolarHBondContact OD1-CB 3.49Å; D661-S663 PolarHBondContact OD1-N 2.73Å; D661-S663 PolarHBondContact OD1-OG 2.96Å; D661-S663 PolarHBondContact OD2-OG 3.16Å; D661-W665 PolarHBondContact O-NE1 2.95Å
662	T	93.8	Very high	95.6	Very high	74 Å²	74	70.4 Å²	70.4	45%	0.454	38%	0.384	S	S	.	.			trans	-85	-7.1	179.3	59.3	0	0	0	0	113.2	F645 Q649 L660 W665	F645-T662 HydrophobicContact CE1-CG2 3.98Å; F645-T662 HydrophobicContact CZ-CG2 3.67Å; Q649-T662 HydrophobicContact CG-CG2 4.4Å; L660-T662 PolarHBondContact O-N 2.68Å; T662-W665 PolarHBondContact O-N 2.83Å
663	S	94.4	Very high	95.4	Very high	69 Å²	69	75.7 Å²	75.7	48%	0.483	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	137	-178.1	72.3	0	0	0	0	111.7	K625 D661 W665	K625-S663 WeakPolarHBondContact CD-O 3.34Å; K625-S663 PolarHBondContact NZ-O 2.92Å; D661-S663 VanDerWaalsContact OD1-CB 3.23Å; D661-S663 WeakPolarHBondContact OD1-CB 3.49Å; D661-S663 PolarHBondContact OD1-N 2.73Å; D661-S663 PolarHBondContact OD1-OG 2.96Å; D661-S663 PolarHBondContact OD2-OG 3.16Å; S663-W665 PolarHBondContact O-N 3.28Å
664	G	93.6	Very high	95.2	Very high	65 Å²	65	74.1 Å²	74.1	67%	0.67	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	10.4	179	0	0	0	0	0	115.7
665	W	97.6	Very high	95.2	Very high	33 Å²	33	71 Å²	71	13%	0.125	40%	0.402	C	S	.	.			trans	-75.1	141.3	173.8	-81.5	83.2	0	0	0	112.5	V620 F622 K625 V627 F645 L648 L660 D661 T662 S663 L667	V620-W665 HydrophobicContact CG1-CH2 3.85Å; V620-W665 HydrophobicContact CG1-CZ3 3.85Å; F622-W665 AromaticContact CD1-CH2 3.77Å; F622-W665 HydrophobicContact CD1-CH2 3.77Å; F622-W665 HydrophobicContact CD1-CZ2 4.15Å; F622-W665 HydrophobicContact CE1-CH2 4.13Å; K625-W665 HydrophobicContact CB-CD2 3.84Å; K625-W665 HydrophobicContact CB-CE3 4.26Å; K625-W665 HydrophobicContact CB-CG 4.01Å; K625-W665 HydrophobicContact CG-CD2 4.36Å; K625-W665 HydrophobicContact CG-CZ2 4.48Å; K625-W665 CarbonylContact O-C 3.58Å; K625-W665 VanDerWaalsContact O-CA 3.24Å; K625-W665 WeakPolarHBondContact O-CA 3.32Å; V627-W665 HydrophobicContact CG2-CE3 4.1Å; V627-W665 HydrophobicContact CG2-CZ3 3.87Å; F645-W665 HydrophobicContact CD2-CD2 4.2Å; F645-W665 HydrophobicContact CD2-CE3 4.09Å; F645-W665 HydrophobicContact CE2-CB 3.86Å; F645-W665 AromaticContact CE2-CD1 3.99Å; F645-W665 AromaticContact CE2-CD2 3.5Å; F645-W665 HydrophobicContact CE2-CD2 3.5Å; F645-W665 AromaticContact CE2-CE2 3.97Å; F645-W665 AromaticContact CE2-CE3 3.86Å; F645-W665 HydrophobicContact CE2-CE3 3.86Å; F645-W665 AromaticContact CE2-CG 3.51Å; F645-W665 HydrophobicContact CE2-CG 3.51Å; F645-W665 HydrophobicContact CZ-CB 3.96Å; F645-W665 HydrophobicContact CZ-CD2 4.39Å; F645-W665 AromaticContact CZ-CG 3.93Å; F645-W665 HydrophobicContact CZ-CG 3.93Å; L648-W665 HydrophobicContact CD1-CH2 4.11Å; L648-W665 HydrophobicContact CD1-CZ3 4.33Å; L660-W665 HydrophobicContact CD2-CZ2 4.47Å; D661-W665 PolarHBondContact O-NE1 2.95Å; T662-W665 PolarHBondContact O-N 2.83Å; S663-W665 PolarHBondContact O-N 3.28Å; W665-L667 HydrophobicContact CB-CD1 4.38Å
666	T	97.3	Very high	95.2	Very high	68 Å²	68	68.3 Å²	68.3	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.7	176.7	56.8	0	0	0	0	111.1	K625 S626 V627	K625-T666 PolarHBondContact O-N 3.19Å; S626-T666 CarbonylContact C-O 3.6Å; S626-T666 WeakPolarHBondContact CA-O 3.36Å; S626-T666 WeakPolarHBondContact CB-OG1 3.34Å; V627-T666 PolarHBondContact N-O 2.94Å
667	L	97.8	Very high	95.3	Very high	55 Å²	55	66.2 Å²	66.2	29%	0.288	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.6	-178.6	-65.3	83	0	0	0	107.7	V627 C641 F645 W665	V627-L667 HydrophobicContact CB-CG 4.46Å; V627-L667 WeakPolarHBondContact O-CA 3.42Å; C641-L667 HydrophobicContact CB-CB 4.07Å; C641-L667 HydrophobicContact CB-CD2 4.34Å; F645-L667 HydrophobicContact CB-CD2 3.67Å; F645-L667 HydrophobicContact CD1-CD1 4.43Å; F645-L667 HydrophobicContact CD1-CD2 4.09Å; F645-L667 HydrophobicContact CG-CD1 4.44Å; F645-L667 HydrophobicContact CG-CD2 3.95Å; W665-L667 HydrophobicContact CB-CD1 4.38Å
668	H	95.3	Very high	95.3	Very high	59 Å²	59	63.2 Å²	63.2	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	149.6	179.3	66.5	-79.7	0	0	0	113.8	V627 I628 Y629 K670	V627-H668 PolarHBondContact O-N 3.22Å; I628-H668 VanDerWaalsContact CA-O 3.3Å; I628-H668 WeakPolarHBondContact CA-O 3.26Å; Y629-H668 PolarHBondContact N-O 2.82Å; H668-K670 PolarHBondContact NE2-NZ 2.91Å; H668-K670 VanDerWaalsContact NE2-NZ 3.18Å
669	S	97.6	Very high	95.2	Very high	13 Å²	13	64.4 Å²	64.4	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.9	163.9	-52.5	0	0	0	0	111.1	S636 N637 D638	S636-S669 WeakPolarHBondContact CA-OG 3.31Å; N637-S669 PolarHBondContact N-OG 3.26Å; D638-S669 PolarHBondContact N-OG 3.48Å; D638-S669 WeakPolarHBondContact OD1-CB 3.39Å; D638-S669 PolarHBondContact OD1-N 2.94Å; D638-S669 PolarHBondContact OD1-OG 3.39Å
670	K	96.4	Very high	95.1	Very high	44 Å²	44	60.9 Å²	60.9	19%	0.191	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-70.6	135.2	167.9	-75.1	-46.5	-164.5	-172.4	0	111.4	I628 Y629 F630 H668 E674 I675	I628-K670 HydrophobicContact CG2-CD 4.03Å; I628-K670 HydrophobicContact CG2-CG 3.78Å; Y629-K670 PolarHBondContact O-N 2.98Å; F630-K670 HydrophobicContact CD1-CB 4.48Å; F630-K670 HydrophobicContact CD1-CG 3.89Å; F630-K670 HydrophobicContact CE1-CG 3.73Å; F630-K670 HydrophobicContact CZ-CG 4.24Å; H668-K670 PolarHBondContact NE2-NZ 2.91Å; H668-K670 VanDerWaalsContact NE2-NZ 3.18Å; K670-E674 HydrophobicContact CD-CB 4.23Å; K670-E674 WeakPolarHBondContact CD-OE1 3.44Å; K670-E674 WeakPolarHBondContact CE-OE1 2.97Å; K670-E674 IonicContact NZ-OE1 3.21Å; K670-E674 PolarHBondContact NZ-OE1 3.36Å; K670-I675 HydrophobicContact CB-CD1 3.72Å; K670-I675 HydrophobicContact CB-CG1 4.02Å; K670-I675 HydrophobicContact CB-CG2 4.12Å; K670-I675 HydrophobicContact CG-CG2 4.11Å
671	K	94.9	Very high	94.9	Very high	137 Å²	137	62.2 Å²	62.2	60%	0.596	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-74.3	154.5	177	-62.6	174.5	-178	177.5	0	110.4	S673 E674	K671-S673 PolarHBondContact O-N 2.72Å; K671-E674 HydrophobicContact CB-CG 4.24Å; K671-E674 WeakPolarHBondContact CB-OE2 3.35Å; K671-E674 WeakPolarHBondContact CG-OE2 3.48Å; K671-E674 PolarHBondContact N-OE2 3.44Å; K671-E674 PolarHBondContact O-N 3.03Å
672	P	93.8	Very high	94.8	Very high	70 Å²	70	58.4 Å²	58.4	46%	0.455	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.3	177.2	-25.9	34.6	0	0	0	115.1	Q677	P672-Q677 HydrophobicContact CB-CG 4.32Å
673	S	92.9	Very high	95	Very high	111 Å²	111	55.1 Å²	55.1	78%	0.776	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-9	176.4	58	0	0	0	0	114.7	K671	K671-S673 PolarHBondContact O-N 2.72Å
674	E	93.5	Very high	95.2	Very high	91 Å²	91	52 Å²	52	43%	0.425	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.8	179.8	-67.6	179.2	87.7	0	0	113.2	K670 K671	K670-E674 HydrophobicContact CD-CB 4.23Å; K670-E674 WeakPolarHBondContact CD-OE1 3.44Å; K670-E674 WeakPolarHBondContact CE-OE1 2.97Å; K670-E674 IonicContact NZ-OE1 3.21Å; K670-E674 PolarHBondContact NZ-OE1 3.36Å; K671-E674 HydrophobicContact CB-CG 4.24Å; K671-E674 WeakPolarHBondContact CB-OE2 3.35Å; K671-E674 WeakPolarHBondContact CG-OE2 3.48Å; K671-E674 PolarHBondContact N-OE2 3.44Å; K671-E674 PolarHBondContact O-N 3.03Å
675	I	96.4	Very high	95.4	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.046	27%	0.271	C	S	.	.	S	Bend	trans	-140.2	141.6	-174.6	55	170.4	0	0	0	111.2	F630 K670 Q677 Y691 I701	F630-I675 HydrophobicContact CB-CD1 4.3Å; F630-I675 HydrophobicContact CD1-CD1 4.24Å; F630-I675 HydrophobicContact CD1-CG2 4.04Å; F630-I675 HydrophobicContact CE1-CG2 4.25Å; K670-I675 HydrophobicContact CB-CD1 3.72Å; K670-I675 HydrophobicContact CB-CG1 4.02Å; K670-I675 HydrophobicContact CB-CG2 4.12Å; K670-I675 HydrophobicContact CG-CG2 4.11Å; I675-Q677 PolarHBondContact O-N 3.4Å; I675-Q677 PolarHBondContact O-NE2 2.87Å; I675-Y691 HydrophobicContact CB-CE1 4.28Å; I675-Y691 HydrophobicContact CD1-CE2 4.33Å; I675-I701 HydrophobicContact CG2-CD1 4.01Å
676	P	96.9	Very high	95.4	Very high	22 Å²	22	47.3 Å²	47.3	14%	0.143	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.4	133.8	-177.4	29.4	-39	0	0	0	110.6	F687 Y691 I701 F703 T704	P676-F687 HydrophobicContact CB-CE1 4.19Å; P676-F687 HydrophobicContact CG-CE1 4.24Å; P676-F687 VanDerWaalsContact O-CE1 3.24Å; P676-F687 WeakPolarHBondContact O-CE1 3.34Å; P676-Y691 HydrophobicContact CG-CE1 4Å; P676-Y691 PolarHBondContact O-OH 3.02Å; P676-I701 HydrophobicContact CG-CG2 3.66Å; P676-F703 WeakPolarHBondContact CB-O 3.49Å; P676-F703 HydrophobicContact CG-CD2 4.12Å; P676-F703 HydrophobicContact CG-CE2 3.83Å; P676-F703 HydrophobicContact CG-CZ 4.21Å; P676-F703 WeakPolarHBondContact CG-O 3.45Å; P676-T704 HydrophobicContact CB-CG2 4.39Å
677	Q	97.4	Very high	95.5	Very high	42 Å²	42	44 Å²	44	20%	0.196	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-91.4	150.9	-178	-58.9	-64.9	-79.6	0	0	111.5	S632 G634 P672 I675 F687	S632-Q677 CarbonylContact O-C 3.41Å; S632-Q677 VanDerWaalsContact O-CA 3.28Å; S632-Q677 WeakPolarHBondContact O-CA 3.46Å; S632-Q677 PolarHBondContact O-OE1 2.91Å; G634-Q677 VanDerWaalsContact N-OE1 3.07Å; P672-Q677 HydrophobicContact CB-CG 4.32Å; I675-Q677 PolarHBondContact O-N 3.4Å; I675-Q677 PolarHBondContact O-NE2 2.87Å; Q677-F687 WeakPolarHBondContact O-CZ 3.16Å
678	Q	94.1	Very high	95.5	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-79.5	145.7	168.8	74.3	-170.6	76.5	0	0	110.5	S632 M633 N680 F687	S632-Q678 PolarHBondContact O-N 3.24Å; S632-Q678 PolarHBondContact OG-OE1 3.08Å; M633-Q678 HydrophobicContact CG-CG 3.87Å; Q678-N680 WeakPolarHBondContact CG-O 3.5Å; Q678-N680 PolarHBondContact NE2-O 3.32Å; Q678-F687 HydrophobicContact CB-CD2 3.85Å; Q678-F687 HydrophobicContact CB-CE2 3.46Å; Q678-F687 VanDerWaalsContact CB-CE2 3.46Å; Q678-F687 HydrophobicContact CB-CZ 3.93Å
679	M	93.1	Very high	95.7	Very high	156 Å²	156	38.6 Å²	38.6	77%	0.768	22%	0.218	S	C	*	.	S	Bend	trans	-108.6	-9	178.7	-54.8	172.1	67.5	0	0	112.6	Q705	M679-Q705 HydrophobicContact CB-CG 3.95Å; M679-Q705 HydrophobicContact CG-CB 4.07Å; M679-Q705 HydrophobicContact CG-CG 3.85Å; M679-Q705 HydrophobicContact SD-CB 3.91Å; M679-Q705 HydrophobicContact SD-CG 3.84Å
680	N	93.3	Very high	95.7	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	21%	0.214	C	C	.	.	S	Bend	trans	-116.8	174.8	175.2	65.1	36.1	0	0	0	111.7	Q678 S682 D683	Q678-N680 WeakPolarHBondContact CG-O 3.5Å; Q678-N680 PolarHBondContact NE2-O 3.32Å; N680-S682 PolarHBondContact OD1-N 2.66Å; N680-S682 PolarHBondContact OD1-OG 3.49Å; N680-D683 PolarHBondContact ND2-OD2 3.38Å; N680-D683 PolarHBondContact OD1-N 2.86Å
681	G	88.5	Confident	95.8	Very high	54 Å²	54	36 Å²	36	56%	0.557	21%	0.205	S	C	*	.	S	Bend	trans	-88.5	13.2	177.6	0	0	0	0	0	115.4	W546	W546-G681 PolarHBondContact NE1-O 2.95Å
682	S	93	Very high	96	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.049	18%	0.177	C	C	.	.	S	Bend	trans	-135	-20.4	-165	52.8	0	0	0	0	117.1	L544 W546 N680 C684 R712	L544-S682 WeakPolarHBondContact O-CB 3.39Å; L544-S682 PolarHBondContact O-OG 2.84Å; W546-S682 VanDerWaalsContact CD1-CA 3.47Å; W546-S682 VanDerWaalsContact CD1-CB 3.42Å; N680-S682 PolarHBondContact OD1-N 2.66Å; N680-S682 PolarHBondContact OD1-OG 3.49Å; S682-C684 VanDerWaalsContact C-N 3.3Å; S682-C684 PolarHBondContact O-N 2.84Å; S682-R712 PolarHBondContact O-NH2 3.01Å
683	D	97.7	Very high	96.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.2	-178.5	-73.3	-31	0	0	0	114.7	N680 G685 M686 F687 Q705 M708 R712	N680-D683 PolarHBondContact ND2-OD2 3.38Å; N680-D683 PolarHBondContact OD1-N 2.86Å; D683-G685 PolarHBondContact O-N 3.37Å; D683-G685 VanDerWaalsContact O-N 3.13Å; D683-M686 HydrophobicContact CB-CB 4.32Å; D683-M686 CarbonylContact O-C 3.57Å; D683-M686 WeakPolarHBondContact O-CA 3.48Å; D683-M686 WeakPolarHBondContact O-CB 3.44Å; D683-M686 PolarHBondContact O-N 3.26Å; D683-F687 HydrophobicContact CB-CD2 3.78Å; D683-F687 HydrophobicContact CB-CE2 3.88Å; D683-F687 WeakPolarHBondContact O-CD2 3.32Å; D683-F687 PolarHBondContact O-N 3.3Å; D683-Q705 PolarHBondContact OD2-NE2 3.21Å; D683-M708 HydrophobicContact CB-CB 4.49Å; D683-M708 HydrophobicContact CB-CG 4.09Å; D683-M708 HydrophobicContact CB-SD 4.47Å; D683-M708 VanDerWaalsContact OD2-CB 3.23Å; D683-M708 WeakPolarHBondContact OD2-CB 3.37Å; D683-M708 WeakPolarHBondContact OD2-CG 3.35Å; D683-R712 IonicContact OD1-CZ 3.75Å; D683-R712 IonicContact OD1-NE 3.94Å; D683-R712 PolarHBondContact OD1-NE 3.03Å; D683-R712 IonicContact OD1-NH2 3.06Å; D683-R712 PolarHBondContact OD1-NH2 3.2Å
684	C	97.8	Very high	96.4	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-51.7	-39.9	-179	54.2	0	0	0	0	114	H614 W615 S682 T688	H614-C684 WeakPolarHBondContact CE1-CB 3.33Å; H614-C684 WeakPolarHBondContact ND1-CB 3.33Å; W615-C684 HydrophobicContact CB-CB 4.21Å; S682-C684 VanDerWaalsContact C-N 3.3Å; S682-C684 PolarHBondContact O-N 2.84Å; C684-T688 VanDerWaalsContact O-CB 3.26Å; C684-T688 WeakPolarHBondContact O-CB 3.44Å; C684-T688 PolarHBondContact O-N 3.14Å; C684-T688 PolarHBondContact O-OG1 3.34Å
685	G	98.1	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-39.9	173.2	0	0	0	0	0	112.8	L547 D683 T688 C689	L547-G685 VanDerWaalsContact CD1-C 3.44Å; D683-G685 PolarHBondContact O-N 3.37Å; D683-G685 VanDerWaalsContact O-N 3.13Å; G685-T688 WeakPolarHBondContact O-CB 3.49Å; G685-T688 PolarHBondContact O-N 3.06Å; G685-C689 WeakPolarHBondContact O-CB 3.22Å; G685-C689 PolarHBondContact O-N 3.09Å; G685-C689 PolarHBondContact O-SG 3.07Å; G685-C689 VanDerWaalsContact O-SG 3.35Å
686	M	98.6	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-47.3	175.5	-68.6	-61.5	-53.5	0	0	111.5	L541 L547 D683 T688 C689 K690 M708 F711 R712 M715	L541-M686 HydrophobicContact CD2-SD 3.63Å; L547-M686 HydrophobicContact CD1-CG 4.15Å; L547-M686 HydrophobicContact CD1-SD 3.76Å; L547-M686 HydrophobicContact CD2-CG 4.34Å; L547-M686 HydrophobicContact CD2-SD 4.01Å; L547-M686 HydrophobicContact CG-CG 4.37Å; L547-M686 HydrophobicContact CG-SD 4.33Å; D683-M686 HydrophobicContact CB-CB 4.32Å; D683-M686 CarbonylContact O-C 3.57Å; D683-M686 WeakPolarHBondContact O-CA 3.48Å; D683-M686 WeakPolarHBondContact O-CB 3.44Å; D683-M686 PolarHBondContact O-N 3.26Å; M686-T688 PolarHBondContact O-N 3.43Å; M686-C689 PolarHBondContact O-N 3.34Å; M686-K690 WeakPolarHBondContact O-CG 3.34Å; M686-K690 PolarHBondContact O-N 3.23Å; M686-M708 HydrophobicContact CB-SD 3.61Å; M686-F711 VanDerWaalsContact CE-C 3.42Å; M686-F711 HydrophobicContact CE-CB 3.57Å; M686-F711 WeakPolarHBondContact CE-O 3.36Å; M686-R712 HydrophobicContact CE-CB 4.45Å; M686-R712 HydrophobicContact CE-CG 3.87Å; M686-R712 HydrophobicContact CG-CG 3.78Å; M686-R712 HydrophobicContact SD-CG 3.61Å; M686-M715 HydrophobicContact CE-CB 4.4Å; M686-M715 HydrophobicContact CE-CE 3.62Å; M686-M715 HydrophobicContact CE-SD 4.2Å; M686-M715 HydrophobicContact SD-CE 3.94Å; M686-M715 HydrophobicContact SD-SD 3.92Å
687	F	98.6	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.9	-46.9	174.4	-84.6	-96.2	0	0	0	111	S632 P676 Q677 Q678 D683 C689 K690 Y691 F703 Q705 M708	S632-F687 VanDerWaalsContact CB-CG 3.48Å; S632-F687 WeakPolarHBondContact OG-CB 3.36Å; P676-F687 HydrophobicContact CB-CE1 4.19Å; P676-F687 HydrophobicContact CG-CE1 4.24Å; P676-F687 VanDerWaalsContact O-CE1 3.24Å; P676-F687 WeakPolarHBondContact O-CE1 3.34Å; Q677-F687 WeakPolarHBondContact O-CZ 3.16Å; Q678-F687 HydrophobicContact CB-CD2 3.85Å; Q678-F687 HydrophobicContact CB-CE2 3.46Å; Q678-F687 VanDerWaalsContact CB-CE2 3.46Å; Q678-F687 HydrophobicContact CB-CZ 3.93Å; D683-F687 HydrophobicContact CB-CD2 3.78Å; D683-F687 HydrophobicContact CB-CE2 3.88Å; D683-F687 WeakPolarHBondContact O-CD2 3.32Å; D683-F687 PolarHBondContact O-N 3.3Å; F687-C689 PolarHBondContact O-N 3.46Å; F687-K690 PolarHBondContact O-N 3.33Å; F687-Y691 HydrophobicContact CB-CE2 4.12Å; F687-Y691 HydrophobicContact CD1-CE1 4.07Å; F687-Y691 AromaticContact CD1-CZ 3.84Å; F687-Y691 WeakPolarHBondContact O-CB 3.2Å; F687-Y691 VanDerWaalsContact O-CD2 3.27Å; F687-Y691 WeakPolarHBondContact O-CD2 3.48Å; F687-Y691 PolarHBondContact O-N 3.46Å; F687-F703 AromaticContact CD1-CE2 3.69Å; F687-F703 HydrophobicContact CD1-CE2 3.69Å; F687-F703 HydrophobicContact CD1-CZ 4.28Å; F687-F703 AromaticContact CE1-CE2 3.83Å; F687-F703 HydrophobicContact CE1-CE2 3.83Å; F687-F703 HydrophobicContact CG-CE2 4.46Å; F687-Q705 HydrophobicContact CZ-CB 4.27Å; F687-M708 HydrophobicContact CD1-CE 4.08Å; F687-M708 HydrophobicContact CD2-CE 3.81Å; F687-M708 HydrophobicContact CD2-CG 4.33Å; F687-M708 HydrophobicContact CD2-SD 3.99Å; F687-M708 HydrophobicContact CE1-CE 3.99Å; F687-M708 HydrophobicContact CE2-CE 3.71Å; F687-M708 HydrophobicContact CE2-CG 3.79Å; F687-M708 HydrophobicContact CE2-SD 4.01Å; F687-M708 HydrophobicContact CG-CE 4Å; F687-M708 HydrophobicContact CZ-CE 3.81Å; F687-M708 HydrophobicContact CZ-CG 4.39Å
688	T	98.6	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-52.2	-49.3	173.8	-71	0	0	0	0	112.1	M556 W615 C616 L617 C684 G685 M686 A692	M556-T688 HydrophobicContact CE-CG2 3.8Å; W615-T688 VanDerWaalsContact C-OG1 3.29Å; W615-T688 PolarHBondContact O-OG1 3.05Å; C616-T688 WeakPolarHBondContact CA-OG1 3.45Å; C616-T688 PolarHBondContact N-OG1 3.31Å; L617-T688 HydrophobicContact CB-CG2 4.25Å; C684-T688 VanDerWaalsContact O-CB 3.26Å; C684-T688 WeakPolarHBondContact O-CB 3.44Å; C684-T688 PolarHBondContact O-N 3.14Å; C684-T688 PolarHBondContact O-OG1 3.34Å; G685-T688 WeakPolarHBondContact O-CB 3.49Å; G685-T688 PolarHBondContact O-N 3.06Å; M686-T688 PolarHBondContact O-N 3.43Å; T688-A692 PolarHBondContact O-N 3.19Å
689	C	98.7	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.3	-39.8	177.2	-72	0	0	0	0	113.5	Y555 G685 M686 F687 A692 D693 M715	Y555-C689 HydrophobicContact CD1-CB 3.62Å; Y555-C689 HydrophobicContact CE1-CB 3.97Å; Y555-C689 HydrophobicContact CG-CB 4.36Å; G685-C689 WeakPolarHBondContact O-CB 3.22Å; G685-C689 PolarHBondContact O-N 3.09Å; G685-C689 PolarHBondContact O-SG 3.07Å; G685-C689 VanDerWaalsContact O-SG 3.35Å; M686-C689 PolarHBondContact O-N 3.34Å; F687-C689 PolarHBondContact O-N 3.46Å; C689-A692 PolarHBondContact O-N 2.97Å; C689-D693 PolarHBondContact O-N 3.03Å; C689-M715 HydrophobicContact CB-CE 3.54Å
690	K	98.4	Very high	96.6	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-77	-30	-179.7	-62.4	-44.3	-55.4	178.9	0	113	Y555 M686 F687 D693 Y694 F703 F711 M715	Y555-K690 PolarHBondContact OH-NZ 3.28Å; M686-K690 WeakPolarHBondContact O-CG 3.34Å; M686-K690 PolarHBondContact O-N 3.23Å; F687-K690 PolarHBondContact O-N 3.33Å; K690-D693 WeakPolarHBondContact CE-OD2 3.15Å; K690-D693 IonicContact NZ-OD2 2.78Å; K690-D693 PolarHBondContact NZ-OD2 3.01Å; K690-D693 PolarHBondContact O-N 3.25Å; K690-Y694 WeakPolarHBondContact O-CD2 3.13Å; K690-Y694 PolarHBondContact O-N 3.43Å; K690-Y694 VanDerWaalsContact O-N 3.11Å; K690-F703 HydrophobicContact CB-CD1 4.22Å; K690-F703 HydrophobicContact CB-CE1 3.52Å; K690-F703 HydrophobicContact CB-CE2 4.2Å; K690-F703 HydrophobicContact CB-CZ 3.51Å; K690-F711 HydrophobicContact CD-CB 4.33Å; K690-F711 HydrophobicContact CD-CD1 4.2Å; K690-F711 HydrophobicContact CD-CD2 4.3Å; K690-F711 HydrophobicContact CD-CG 4.06Å; K690-F711 HydrophobicContact CG-CB 4.39Å; K690-F711 HydrophobicContact CG-CD2 3.77Å; K690-F711 HydrophobicContact CG-CE2 4.07Å; K690-F711 HydrophobicContact CG-CG 4.03Å; K690-M715 HydrophobicContact CD-CE 4.4Å
691	Y	98.5	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-50.7	167.1	-65.2	-30.9	0	0	0	110.3	F630 S632 I675 P676 F687 D693 Y694 I695 I701 F703	F630-Y691 HydrophobicContact CB-CD2 3.75Å; F630-Y691 HydrophobicContact CB-CE2 4.02Å; F630-Y691 HydrophobicContact CB-CG 4.48Å; F630-Y691 HydrophobicContact CG-CD2 4.47Å; S632-Y691 WeakPolarHBondContact CA-OH 3.23Å; S632-Y691 WeakPolarHBondContact CB-OH 3.29Å; I675-Y691 HydrophobicContact CB-CE1 4.28Å; I675-Y691 HydrophobicContact CD1-CE2 4.33Å; P676-Y691 HydrophobicContact CG-CE1 4Å; P676-Y691 PolarHBondContact O-OH 3.02Å; F687-Y691 HydrophobicContact CB-CE2 4.12Å; F687-Y691 HydrophobicContact CD1-CE1 4.07Å; F687-Y691 AromaticContact CD1-CZ 3.84Å; F687-Y691 WeakPolarHBondContact O-CB 3.2Å; F687-Y691 VanDerWaalsContact O-CD2 3.27Å; F687-Y691 WeakPolarHBondContact O-CD2 3.48Å; F687-Y691 PolarHBondContact O-N 3.46Å; Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 2.88Å; Y691-Y694 PolarHBondContact O-N 3.14Å; Y691-I695 WeakPolarHBondContact O-CB 3.44Å; Y691-I695 WeakPolarHBondContact O-CD1 3.37Å; Y691-I695 WeakPolarHBondContact O-CG1 3.45Å; Y691-I695 PolarHBondContact O-N 3.03Å; Y691-I701 HydrophobicContact CD1-CD1 3.84Å; Y691-I701 HydrophobicContact CD1-CG2 4.28Å; Y691-I701 HydrophobicContact CE1-CD1 4.42Å; Y691-I701 HydrophobicContact CE1-CG2 4.39Å; Y691-F703 HydrophobicContact CD1-CE1 4.18Å; Y691-F703 AromaticContact CD1-CZ 3.64Å; Y691-F703 HydrophobicContact CD1-CZ 3.64Å; Y691-F703 HydrophobicContact CE1-CE2 4.42Å; Y691-F703 AromaticContact CE1-CZ 3.79Å; Y691-F703 HydrophobicContact CE1-CZ 3.79Å
692	A	98.6	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-40.1	176.9	0	0	0	0	0	112.4	M556 L559 L606 L617 T688 C689 Y694 T696	M556-A692 HydrophobicContact CE-CB 3.83Å; M556-A692 HydrophobicContact SD-CB 3.61Å; L559-A692 HydrophobicContact CD1-CB 3.42Å; L559-A692 VanDerWaalsContact CD1-CB 3.42Å; L606-A692 HydrophobicContact CD1-CB 4Å; L606-A692 HydrophobicContact CD2-CB 3.95Å; L617-A692 HydrophobicContact CD2-CB 3.83Å; T688-A692 PolarHBondContact O-N 3.19Å; C689-A692 PolarHBondContact O-N 2.97Å; A692-Y694 PolarHBondContact O-N 2.93Å; A692-T696 WeakPolarHBondContact O-CB 3.14Å; A692-T696 VanDerWaalsContact O-CG2 3.23Å; A692-T696 WeakPolarHBondContact O-CG2 3.35Å; A692-T696 PolarHBondContact O-N 3.46Å; A692-T696 PolarHBondContact O-OG1 3.04Å
693	D	98.1	Very high	97.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-57.4	-46.6	175	-179.7	32	0	0	0	112.8	Y555 L559 R562 C689 K690 Y691 T696 K697	Y555-D693 HydrophobicContact CE1-CB 4.47Å; L559-D693 HydrophobicContact CD2-CB 4.04Å; R562-D693 IonicContact CZ-OD1 3.51Å; R562-D693 IonicContact NH1-OD1 3.75Å; R562-D693 PolarHBondContact NH1-OD1 2.58Å; R562-D693 PolarHBondContact NH2-O 3.17Å; R562-D693 VanDerWaalsContact NH2-O 3.11Å; R562-D693 IonicContact NH2-OD1 3.03Å; R562-D693 PolarHBondContact NH2-OD1 2.84Å; C689-D693 PolarHBondContact O-N 3.03Å; K690-D693 WeakPolarHBondContact CE-OD2 3.15Å; K690-D693 IonicContact NZ-OD2 2.78Å; K690-D693 PolarHBondContact NZ-OD2 3.01Å; K690-D693 PolarHBondContact O-N 3.25Å; Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 2.88Å; D693-T696 PolarHBondContact O-OG1 3.03Å; D693-K697 VanDerWaalsContact CG-NZ 3.29Å; D693-K697 WeakPolarHBondContact O-CD 3.43Å; D693-K697 WeakPolarHBondContact O-CG 3.3Å; D693-K697 PolarHBondContact O-N 3.39Å; D693-K697 VanDerWaalsContact OD1-CE 3.24Å; D693-K697 WeakPolarHBondContact OD1-CE 3.4Å; D693-K697 IonicContact OD1-NZ 2.73Å; D693-K697 PolarHBondContact OD1-NZ 3.19Å; D693-K697 IonicContact OD2-NZ 3.82Å; D693-K697 PolarHBondContact OD2-NZ 3.32Å
694	Y	97.5	Very high	97.2	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.043	14%	0.142	C	C	.	.	H	α-helix	trans	-72.4	-43.1	-179.3	-87.8	-104.4	0	0	0	112.8	F500 K690 Y691 A692 T696 K697 D698 K699 P700 T702 F703	F500-Y694 WeakPolarHBondContact CE1-OH 3.32Å; K690-Y694 WeakPolarHBondContact O-CD2 3.13Å; K690-Y694 PolarHBondContact O-N 3.43Å; K690-Y694 VanDerWaalsContact O-N 3.11Å; Y691-Y694 PolarHBondContact O-N 3.14Å; A692-Y694 PolarHBondContact O-N 2.93Å; Y694-T696 PolarHBondContact O-N 3.45Å; Y694-K697 CarbonylContact O-C 3.55Å; Y694-K697 WeakPolarHBondContact O-CA 3.47Å; Y694-K697 WeakPolarHBondContact O-CB 3.39Å; Y694-K697 PolarHBondContact O-N 3.45Å; Y694-D698 PolarHBondContact O-N 3.4Å; Y694-K699 HydrophobicContact CD1-CB 3.93Å; Y694-K699 PolarHBondContact O-N 3.36Å; Y694-P700 WeakPolarHBondContact CD1-O 3.37Å; Y694-P700 WeakPolarHBondContact CE1-O 3.31Å; Y694-T702 VanDerWaalsContact CE1-OG1 3.24Å; Y694-T702 WeakPolarHBondContact CE1-OG1 3.2Å; Y694-T702 PolarHBondContact OH-OG1 3.07Å; Y694-T702 VanDerWaalsContact OH-OG1 3.05Å; Y694-F703 AromaticContact CD2-CD1 3.82Å; Y694-F703 HydrophobicContact CD2-CD1 3.82Å; Y694-F703 AromaticContact CD2-CE1 3.97Å; Y694-F703 HydrophobicContact CD2-CE1 3.97Å; Y694-F703 AromaticContact CE2-CD1 3.53Å; Y694-F703 HydrophobicContact CE2-CD1 3.53Å; Y694-F703 HydrophobicContact CE2-CE1 4.15Å; Y694-F703 HydrophobicContact CG-CD1 4.49Å; Y694-F703 AromaticContact CZ-CD1 3.99Å
695	I	97.6	Very high	97.1	Very high	25 Å²	25	27.4 Å²	27.4	13%	0.128	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-39.9	-179.6	-64.4	162	0	0	0	110.9	I604 L617 V619 F630 Y691 K697 D698	I604-I695 HydrophobicContact CD1-CG2 4.47Å; L617-I695 HydrophobicContact CD2-CD1 4.3Å; V619-I695 HydrophobicContact CG1-CG2 4.11Å; V619-I695 HydrophobicContact CG2-CD1 3.98Å; F630-I695 HydrophobicContact CD1-CD1 4.28Å; F630-I695 HydrophobicContact CD2-CD1 4.31Å; F630-I695 HydrophobicContact CE1-CD1 3.71Å; F630-I695 HydrophobicContact CE2-CD1 3.73Å; F630-I695 HydrophobicContact CZ-CD1 3.41Å; F630-I695 VanDerWaalsContact CZ-CD1 3.41Å; F630-I695 HydrophobicContact CZ-CG1 4.37Å; Y691-I695 WeakPolarHBondContact O-CB 3.44Å; Y691-I695 WeakPolarHBondContact O-CD1 3.37Å; Y691-I695 WeakPolarHBondContact O-CG1 3.45Å; Y691-I695 PolarHBondContact O-N 3.03Å; I695-K697 PolarHBondContact O-N 2.97Å; I695-D698 PolarHBondContact O-N 3.46Å
696	T	97.2	Very high	97	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.1	174.7	59.2	0	0	0	0	114.4	R562 V571 L606 A692 D693 Y694	R562-T696 PolarHBondContact NH2-OG1 3.42Å; V571-T696 HydrophobicContact CB-CG2 4.33Å; V571-T696 HydrophobicContact CG1-CG2 3.8Å; V571-T696 HydrophobicContact CG2-CG2 3.51Å; L606-T696 HydrophobicContact CD1-CG2 3.93Å; L606-T696 HydrophobicContact CD2-CG2 4.18Å; L606-T696 HydrophobicContact CG-CG2 4.35Å; A692-T696 WeakPolarHBondContact O-CB 3.14Å; A692-T696 VanDerWaalsContact O-CG2 3.23Å; A692-T696 WeakPolarHBondContact O-CG2 3.35Å; A692-T696 PolarHBondContact O-N 3.46Å; A692-T696 PolarHBondContact O-OG1 3.04Å; D693-T696 PolarHBondContact O-OG1 3.03Å; Y694-T696 PolarHBondContact O-N 3.45Å
697	K	95.3	Very high	97	Very high	52 Å²	52	36.8 Å²	36.8	23%	0.226	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-1.3	167.7	-74.3	164.4	168.1	155.9	0	112.5	R562 D693 Y694 I695 K699	R562-K697 VanDerWaalsContact NH1-CE 3.26Å; D693-K697 VanDerWaalsContact CG-NZ 3.29Å; D693-K697 WeakPolarHBondContact O-CD 3.43Å; D693-K697 WeakPolarHBondContact O-CG 3.3Å; D693-K697 PolarHBondContact O-N 3.39Å; D693-K697 VanDerWaalsContact OD1-CE 3.24Å; D693-K697 WeakPolarHBondContact OD1-CE 3.4Å; D693-K697 IonicContact OD1-NZ 2.73Å; D693-K697 PolarHBondContact OD1-NZ 3.19Å; D693-K697 IonicContact OD2-NZ 3.82Å; D693-K697 PolarHBondContact OD2-NZ 3.32Å; Y694-K697 CarbonylContact O-C 3.55Å; Y694-K697 WeakPolarHBondContact O-CA 3.47Å; Y694-K697 WeakPolarHBondContact O-CB 3.39Å; Y694-K697 PolarHBondContact O-N 3.45Å; I695-K697 PolarHBondContact O-N 2.97Å; K697-K699 HydrophobicContact CB-CB 4.16Å; K697-K699 HydrophobicContact CB-CD 4.4Å; K697-K699 HydrophobicContact CB-CG 4Å; K697-K699 PolarHBondContact O-N 3.2Å
698	D	95.6	Very high	96.9	Very high	72 Å²	72	36.8 Å²	36.8	39%	0.385	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	34.5	-162.9	-82.4	-65.1	0	0	0	112.7	P569 R623 K624 Y694 I695	P569-D698 WeakPolarHBondContact CG-OD2 3.4Å; R623-D698 IonicContact CZ-OD1 2.71Å; R623-D698 IonicContact CZ-OD2 2.72Å; R623-D698 IonicContact NH1-OD1 2.74Å; R623-D698 IonicContact NH1-OD2 3.69Å; R623-D698 PolarHBondContact NH1-OD2 3.41Å; R623-D698 VanDerWaalsContact NH2-CG 3.34Å; R623-D698 IonicContact NH2-OD1 2.8Å; R623-D698 PolarHBondContact NH2-OD1 3.32Å; R623-D698 IonicContact NH2-OD2 2.82Å; R623-D698 PolarHBondContact NH2-OD2 3.15Å; K624-D698 IonicContact NZ-OD1 3.18Å; K624-D698 PolarHBondContact NZ-OD1 3.45Å; Y694-D698 PolarHBondContact O-N 3.4Å; I695-D698 PolarHBondContact O-N 3.46Å
699	K	94.3	Very high	96.8	Very high	112 Å²	112	40.4 Å²	40.4	49%	0.487	21%	0.211	S	C	.	.			trans	-97	144	177.8	-80.9	-166.5	171.4	-160	0	111.8	Y694 K697	Y694-K699 HydrophobicContact CD1-CB 3.93Å; Y694-K699 PolarHBondContact O-N 3.36Å; K697-K699 HydrophobicContact CB-CB 4.16Å; K697-K699 HydrophobicContact CB-CD 4.4Å; K697-K699 HydrophobicContact CB-CG 4Å; K697-K699 PolarHBondContact O-N 3.2Å
700	P	95	Very high	96.7	Very high	101 Å²	101	42.2 Å²	42.2	66%	0.656	22%	0.218	S	C	*	.			trans	-64.4	143.8	169.7	29.9	-35.1	0	0	0	110.1	Y694 T702	Y694-P700 WeakPolarHBondContact CD1-O 3.37Å; Y694-P700 WeakPolarHBondContact CE1-O 3.31Å; P700-T702 PolarHBondContact O-N 2.99Å; P700-T702 VanDerWaalsContact O-N 3.1Å
701	I	96.3	Very high	96.7	Very high	42 Å²	42	42.2 Å²	42.2	22%	0.215	22%	0.218	C	C	.	.			trans	-76.7	100.7	-177.1	-61.5	163	0	0	0	109.3	F630 I675 P676 Y691 F703	F630-I701 HydrophobicContact CE1-CD1 4.21Å; I675-I701 HydrophobicContact CG2-CD1 4.01Å; P676-I701 HydrophobicContact CG-CG2 3.66Å; Y691-I701 HydrophobicContact CD1-CD1 3.84Å; Y691-I701 HydrophobicContact CD1-CG2 4.28Å; Y691-I701 HydrophobicContact CE1-CD1 4.42Å; Y691-I701 HydrophobicContact CE1-CG2 4.39Å; I701-F703 HydrophobicContact CG2-CD1 3.74Å; I701-F703 HydrophobicContact CG2-CE1 3.5Å; I701-F703 VanDerWaalsContact CG2-CE1 3.5Å; I701-F703 HydrophobicContact CG2-CG 4.46Å; I701-F703 HydrophobicContact CG2-CZ 4.01Å
702	T	95.5	Very high	96.6	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	22%	0.22	S	C	.	.			trans	-94.9	-20.6	-177	51	0	0	0	0	114.2	E499 Y694 P700	E499-T702 WeakPolarHBondContact OE1-CB 3.37Å; E499-T702 PolarHBondContact OE1-OG1 3.08Å; Y694-T702 VanDerWaalsContact CE1-OG1 3.24Å; Y694-T702 WeakPolarHBondContact CE1-OG1 3.2Å; Y694-T702 PolarHBondContact OH-OG1 3.07Å; Y694-T702 VanDerWaalsContact OH-OG1 3.05Å; P700-T702 PolarHBondContact O-N 2.99Å; P700-T702 VanDerWaalsContact O-N 3.1Å
703	F	96.3	Very high	96.6	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.236	C	C	.	.			trans	-72.2	161.1	-176.3	74.5	-98.9	0	0	0	112.7	F500 P676 F687 K690 Y691 Y694 I701 M708 F711	F500-F703 HydrophobicContact CZ-CB 4.29Å; P676-F703 WeakPolarHBondContact CB-O 3.49Å; P676-F703 HydrophobicContact CG-CD2 4.12Å; P676-F703 HydrophobicContact CG-CE2 3.83Å; P676-F703 HydrophobicContact CG-CZ 4.21Å; P676-F703 WeakPolarHBondContact CG-O 3.45Å; F687-F703 AromaticContact CD1-CE2 3.69Å; F687-F703 HydrophobicContact CD1-CE2 3.69Å; F687-F703 HydrophobicContact CD1-CZ 4.28Å; F687-F703 AromaticContact CE1-CE2 3.83Å; F687-F703 HydrophobicContact CE1-CE2 3.83Å; F687-F703 HydrophobicContact CG-CE2 4.46Å; K690-F703 HydrophobicContact CB-CD1 4.22Å; K690-F703 HydrophobicContact CB-CE1 3.52Å; K690-F703 HydrophobicContact CB-CE2 4.2Å; K690-F703 HydrophobicContact CB-CZ 3.51Å; Y691-F703 HydrophobicContact CD1-CE1 4.18Å; Y691-F703 AromaticContact CD1-CZ 3.64Å; Y691-F703 HydrophobicContact CD1-CZ 3.64Å; Y691-F703 HydrophobicContact CE1-CE2 4.42Å; Y691-F703 AromaticContact CE1-CZ 3.79Å; Y691-F703 HydrophobicContact CE1-CZ 3.79Å; Y694-F703 AromaticContact CD2-CD1 3.82Å; Y694-F703 HydrophobicContact CD2-CD1 3.82Å; Y694-F703 AromaticContact CD2-CE1 3.97Å; Y694-F703 HydrophobicContact CD2-CE1 3.97Å; Y694-F703 AromaticContact CE2-CD1 3.53Å; Y694-F703 HydrophobicContact CE2-CD1 3.53Å; Y694-F703 HydrophobicContact CE2-CE1 4.15Å; Y694-F703 HydrophobicContact CG-CD1 4.49Å; Y694-F703 AromaticContact CZ-CD1 3.99Å; I701-F703 HydrophobicContact CG2-CD1 3.74Å; I701-F703 HydrophobicContact CG2-CE1 3.5Å; I701-F703 VanDerWaalsContact CG2-CE1 3.5Å; I701-F703 HydrophobicContact CG2-CG 4.46Å; I701-F703 HydrophobicContact CG2-CZ 4.01Å; F703-M708 HydrophobicContact CD2-CE 3.47Å; F703-M708 VanDerWaalsContact CD2-CE 3.47Å; F703-M708 HydrophobicContact CE2-CE 3.29Å; F703-M708 HydrophobicContact CZ-CE 4.32Å; F703-F711 HydrophobicContact CB-CE2 3.7Å; F703-F711 HydrophobicContact CB-CZ 3.74Å; F703-F711 HydrophobicContact CD1-CE2 4.43Å; F703-F711 AromaticContact CD2-CE2 3.93Å; F703-F711 HydrophobicContact CD2-CE2 3.93Å; F703-F711 AromaticContact CG-CE2 3.78Å; F703-F711 HydrophobicContact CG-CE2 3.78Å; F703-F711 HydrophobicContact CG-CZ 4.13Å
704	T	96.5	Very high	96.5	Very high	64 Å²	64	47.1 Å²	47.1	39%	0.393	24%	0.237	S	C	.	.			trans	-139.9	172.6	173.5	63.6	0	0	0	0	111.3	P676 K706 H707	P676-T704 HydrophobicContact CB-CG2 4.39Å; T704-K706 PolarHBondContact O-N 3.46Å; T704-H707 PolarHBondContact N-CE1 2.88Å; T704-H707 PolarHBondContact N-ND1 3.4Å; T704-H707 PolarHBondContact O-N 3.2Å; T704-H707 PolarHBondContact O-ND1 2.92Å; T704-H707 PolarHBondContact OG1-CE1 3.37Å
705	Q	96.5	Very high	96.6	Very high	25 Å²	25	46.6 Å²	46.6	12%	0.117	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-45.7	-37.3	-177.5	176.8	63.8	76.6	0	0	114.9	M679 D683 F687 H707 M708	M679-Q705 HydrophobicContact CB-CG 3.95Å; M679-Q705 HydrophobicContact CG-CB 4.07Å; M679-Q705 HydrophobicContact CG-CG 3.85Å; M679-Q705 HydrophobicContact SD-CB 3.91Å; M679-Q705 HydrophobicContact SD-CG 3.84Å; D683-Q705 PolarHBondContact OD2-NE2 3.21Å; F687-Q705 HydrophobicContact CZ-CB 4.27Å; Q705-H707 PolarHBondContact O-N 3.26Å; Q705-M708 WeakPolarHBondContact O-CB 3.14Å; Q705-M708 WeakPolarHBondContact O-CG 3.31Å; Q705-M708 PolarHBondContact O-N 3.39Å
706	K	96.4	Very high	96.6	Very high	166 Å²	166	45.4 Å²	45.4	72%	0.722	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-57.4	-21	-179	72.2	-178.8	-178.4	173.4	0	114.4	T704	T704-K706 PolarHBondContact O-N 3.46Å
707	H	96.7	Very high	96.6	Very high	31 Å²	31	46.4 Å²	46.4	14%	0.144	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-89.9	-10.7	-178.3	-46.2	85.7	0	0	0	113.1	F500 T704 Q705 Y710 F711	F500-H707 AromaticContact CD2-CD2 3.98Å; F500-H707 AromaticContact CE2-CD2 3.69Å; F500-H707 AromaticContact CE2-NE2 3.7Å; T704-H707 PolarHBondContact N-CE1 2.88Å; T704-H707 PolarHBondContact N-ND1 3.4Å; T704-H707 PolarHBondContact O-N 3.2Å; T704-H707 PolarHBondContact O-ND1 2.92Å; T704-H707 PolarHBondContact OG1-CE1 3.37Å; Q705-H707 PolarHBondContact O-N 3.26Å; H707-Y710 WeakPolarHBondContact O-CB 3.22Å; H707-Y710 PolarHBondContact O-N 2.66Å; H707-Y710 VanDerWaalsContact O-N 3.12Å; H707-F711 HydrophobicContact CB-CD2 3.88Å; H707-F711 HydrophobicContact CB-CE2 3.51Å; H707-F711 HydrophobicContact CB-CZ 3.91Å; H707-F711 WeakPolarHBondContact O-CD2 3.34Å; H707-F711 WeakPolarHBondContact O-CG 3.27Å; H707-F711 PolarHBondContact O-N 3.47Å
708	M	97.5	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-40	-176.3	-65.7	-61.1	144.8	0	0	114.2	D683 M686 F687 F703 Q705 Y710 F711 R712	D683-M708 HydrophobicContact CB-CB 4.49Å; D683-M708 HydrophobicContact CB-CG 4.09Å; D683-M708 HydrophobicContact CB-SD 4.47Å; D683-M708 VanDerWaalsContact OD2-CB 3.23Å; D683-M708 WeakPolarHBondContact OD2-CB 3.37Å; D683-M708 WeakPolarHBondContact OD2-CG 3.35Å; M686-M708 HydrophobicContact CB-SD 3.61Å; F687-M708 HydrophobicContact CD1-CE 4.08Å; F687-M708 HydrophobicContact CD2-CE 3.81Å; F687-M708 HydrophobicContact CD2-CG 4.33Å; F687-M708 HydrophobicContact CD2-SD 3.99Å; F687-M708 HydrophobicContact CE1-CE 3.99Å; F687-M708 HydrophobicContact CE2-CE 3.71Å; F687-M708 HydrophobicContact CE2-CG 3.79Å; F687-M708 HydrophobicContact CE2-SD 4.01Å; F687-M708 HydrophobicContact CG-CE 4Å; F687-M708 HydrophobicContact CZ-CE 3.81Å; F687-M708 HydrophobicContact CZ-CG 4.39Å; F703-M708 HydrophobicContact CD2-CE 3.47Å; F703-M708 VanDerWaalsContact CD2-CE 3.47Å; F703-M708 HydrophobicContact CE2-CE 3.29Å; F703-M708 HydrophobicContact CZ-CE 4.32Å; Q705-M708 WeakPolarHBondContact O-CB 3.14Å; Q705-M708 WeakPolarHBondContact O-CG 3.31Å; Q705-M708 PolarHBondContact O-N 3.39Å; M708-Y710 VanDerWaalsContact C-N 3.29Å; M708-Y710 PolarHBondContact O-N 2.95Å; M708-F711 HydrophobicContact CE-CD2 3.83Å; M708-F711 HydrophobicContact CE-CE2 4.06Å; M708-F711 PolarHBondContact O-N 3.45Å; M708-F711 HydrophobicContact SD-CD2 3.96Å; M708-R712 WeakPolarHBondContact O-CB 3.42Å; M708-R712 WeakPolarHBondContact O-CG 3.47Å; M708-R712 PolarHBondContact O-N 3.2Å
709	P	96.4	Very high	96.7	Very high	75 Å²	75	40.6 Å²	40.6	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-34.1	174.8	-24.6	35.8	0	0	0	113.6	R713	P709-R713 PolarHBondContact O-NH1 2.92Å
710	Y	96.6	Very high	96.8	Very high	38 Å²	38	37.4 Å²	37.4	15%	0.149	19%	0.191	C	C	.	.	H	α-helix	trans	-72.1	-48.2	172.3	157	-96.4	0	0	0	110.9	F500 P501 L503 H707 M708 R712 R713 R714	F500-Y710 HydrophobicContact CB-CE1 3.9Å; F500-Y710 HydrophobicContact CD1-CE1 4.11Å; F500-Y710 HydrophobicContact CG-CE1 4.3Å; P501-Y710 VanDerWaalsContact O-CE2 3.3Å; P501-Y710 WeakPolarHBondContact O-CE2 3.39Å; P501-Y710 PolarHBondContact O-OH 3.12Å; L503-Y710 HydrophobicContact CG-CE2 4.18Å; H707-Y710 WeakPolarHBondContact O-CB 3.22Å; H707-Y710 PolarHBondContact O-N 2.66Å; H707-Y710 VanDerWaalsContact O-N 3.12Å; M708-Y710 VanDerWaalsContact C-N 3.29Å; M708-Y710 PolarHBondContact O-N 2.95Å; Y710-R712 VanDerWaalsContact C-N 3.27Å; Y710-R712 PolarHBondContact O-N 3Å; Y710-R713 PolarHBondContact O-N 3.15Å; Y710-R714 HydrophobicContact CE2-CB 4.48Å; Y710-R714 VanDerWaalsContact O-CB 3.3Å; Y710-R714 WeakPolarHBondContact O-CB 3.36Å; Y710-R714 PolarHBondContact O-N 3.19Å; Y710-R714 VanDerWaalsContact OH-CD 3.32Å; Y710-R714 WeakPolarHBondContact OH-CD 3.28Å; Y710-R714 PolarHBondContact OH-NH1 3Å
711	F	97.8	Very high	96.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-34.4	179.9	-69.6	-40.1	0	0	0	112.7	F500 M686 K690 F703 H707 M708 M715	F500-F711 AromaticContact CD1-CE1 3.79Å; F500-F711 HydrophobicContact CD1-CE1 3.79Å; F500-F711 HydrophobicContact CD1-CZ 4.05Å; F500-F711 AromaticContact CE1-CE1 3.78Å; F500-F711 HydrophobicContact CE1-CE1 3.78Å; F500-F711 AromaticContact CE1-CZ 3.58Å; F500-F711 HydrophobicContact CE1-CZ 3.58Å; F500-F711 HydrophobicContact CZ-CZ 4.38Å; M686-F711 VanDerWaalsContact CE-C 3.42Å; M686-F711 HydrophobicContact CE-CB 3.57Å; M686-F711 WeakPolarHBondContact CE-O 3.36Å; K690-F711 HydrophobicContact CD-CB 4.33Å; K690-F711 HydrophobicContact CD-CD1 4.2Å; K690-F711 HydrophobicContact CD-CD2 4.3Å; K690-F711 HydrophobicContact CD-CG 4.06Å; K690-F711 HydrophobicContact CG-CB 4.39Å; K690-F711 HydrophobicContact CG-CD2 3.77Å; K690-F711 HydrophobicContact CG-CE2 4.07Å; K690-F711 HydrophobicContact CG-CG 4.03Å; F703-F711 HydrophobicContact CB-CE2 3.7Å; F703-F711 HydrophobicContact CB-CZ 3.74Å; F703-F711 HydrophobicContact CD1-CE2 4.43Å; F703-F711 AromaticContact CD2-CE2 3.93Å; F703-F711 HydrophobicContact CD2-CE2 3.93Å; F703-F711 AromaticContact CG-CE2 3.78Å; F703-F711 HydrophobicContact CG-CE2 3.78Å; F703-F711 HydrophobicContact CG-CZ 4.13Å; H707-F711 HydrophobicContact CB-CD2 3.88Å; H707-F711 HydrophobicContact CB-CE2 3.51Å; H707-F711 HydrophobicContact CB-CZ 3.91Å; H707-F711 WeakPolarHBondContact O-CD2 3.34Å; H707-F711 WeakPolarHBondContact O-CG 3.27Å; H707-F711 PolarHBondContact O-N 3.47Å; M708-F711 HydrophobicContact CE-CD2 3.83Å; M708-F711 HydrophobicContact CE-CE2 4.06Å; M708-F711 PolarHBondContact O-N 3.45Å; M708-F711 HydrophobicContact SD-CD2 3.96Å; F711-M715 WeakPolarHBondContact O-CB 3.44Å; F711-M715 PolarHBondContact O-N 3.28Å
712	R	97.9	Very high	96.8	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-52.3	174.9	-82.1	173.2	172.7	-90.2	4.2	111.8	T540 L541 N543 N545 S682 D683 M686 M708 Y710 M715 V716	T540-R712 PolarHBondContact O-NH1 3.4Å; L541-R712 WeakPolarHBondContact O-CB 3.49Å; L541-R712 WeakPolarHBondContact O-CD 3.39Å; L541-R712 WeakPolarHBondContact O-CG 3.3Å; L541-R712 PolarHBondContact O-NH1 3.2Å; N543-R712 WeakPolarHBondContact O-CD 3.17Å; N543-R712 VanDerWaalsContact O-CZ 3.28Å; N543-R712 PolarHBondContact O-NE 3.26Å; N543-R712 VanDerWaalsContact O-NE 3.13Å; N543-R712 PolarHBondContact O-NH1 3.34Å; N545-R712 VanDerWaalsContact O-CZ 3.31Å; N545-R712 PolarHBondContact O-NH1 3.49Å; N545-R712 PolarHBondContact O-NH2 3.01Å; S682-R712 PolarHBondContact O-NH2 3.01Å; D683-R712 IonicContact OD1-CZ 3.75Å; D683-R712 IonicContact OD1-NE 3.94Å; D683-R712 PolarHBondContact OD1-NE 3.03Å; D683-R712 IonicContact OD1-NH2 3.06Å; D683-R712 PolarHBondContact OD1-NH2 3.2Å; M686-R712 HydrophobicContact CE-CB 4.45Å; M686-R712 HydrophobicContact CE-CG 3.87Å; M686-R712 HydrophobicContact CG-CG 3.78Å; M686-R712 HydrophobicContact SD-CG 3.61Å; M708-R712 WeakPolarHBondContact O-CB 3.42Å; M708-R712 WeakPolarHBondContact O-CG 3.47Å; M708-R712 PolarHBondContact O-N 3.2Å; Y710-R712 VanDerWaalsContact C-N 3.27Å; Y710-R712 PolarHBondContact O-N 3Å; R712-M715 PolarHBondContact O-N 3.37Å; R712-V716 PolarHBondContact O-N 2.92Å
713	R	96.9	Very high	96.8	Very high	93 Å²	93	41 Å²	41	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-46.6	177.4	-64	-163.9	-44.6	-86.8	11	111.5	L503 E508 V511 P709 Y710 M715 V716 W717	L503-R713 HydrophobicContact CD1-CB 3.95Å; E508-R713 VanDerWaalsContact CD-NE 3.27Å; E508-R713 IonicContact OE1-CZ 2.72Å; E508-R713 IonicContact OE1-NE 3.19Å; E508-R713 PolarHBondContact OE1-NE 2.93Å; E508-R713 IonicContact OE1-NH2 2.67Å; E508-R713 PolarHBondContact OE1-NH2 2.83Å; E508-R713 VanDerWaalsContact OE2-CD 3.28Å; E508-R713 WeakPolarHBondContact OE2-CD 3.36Å; E508-R713 IonicContact OE2-NE 2.63Å; E508-R713 PolarHBondContact OE2-NE 2.81Å; V511-R713 HydrophobicContact CG1-CB 3.94Å; V511-R713 HydrophobicContact CG1-CG 4.15Å; V511-R713 WeakPolarHBondContact CG2-O 3.46Å; P709-R713 PolarHBondContact O-NH1 2.92Å; Y710-R713 PolarHBondContact O-N 3.15Å; R713-M715 VanDerWaalsContact C-N 3.32Å; R713-M715 PolarHBondContact O-N 3.11Å; R713-V716 WeakPolarHBondContact O-CB 3.42Å; R713-V716 PolarHBondContact O-N 3.42Å; R713-W717 PolarHBondContact O-N 3.07Å
714	R	97.1	Very high	96.7	Very high	6 Å²	6	42.2 Å²	42.2	2%	0.023	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-44.7	173.9	168.9	171.1	159.9	162.6	3.5	112	L503 Y710 V716 W717 E718 L725	L503-R714 HydrophobicContact CD1-CB 4.26Å; L503-R714 HydrophobicContact CD2-CB 4.13Å; L503-R714 HydrophobicContact CD2-CG 4.48Å; Y710-R714 HydrophobicContact CE2-CB 4.48Å; Y710-R714 VanDerWaalsContact O-CB 3.3Å; Y710-R714 WeakPolarHBondContact O-CB 3.36Å; Y710-R714 PolarHBondContact O-N 3.19Å; Y710-R714 VanDerWaalsContact OH-CD 3.32Å; Y710-R714 WeakPolarHBondContact OH-CD 3.28Å; Y710-R714 PolarHBondContact OH-NH1 3Å; R714-V716 VanDerWaalsContact C-N 3.35Å; R714-V716 PolarHBondContact O-N 3.2Å; R714-W717 WeakPolarHBondContact O-CB 3.21Å; R714-W717 PolarHBondContact O-N 3.49Å; R714-W717 VanDerWaalsContact O-N 3.11Å; R714-E718 HydrophobicContact CG-CG 3.96Å; R714-E718 IonicContact CZ-OE1 3.13Å; R714-E718 IonicContact NE-OE1 3.74Å; R714-E718 PolarHBondContact NE-OE1 3.07Å; R714-E718 IonicContact NE-OE2 2.69Å; R714-E718 IonicContact NH2-OE1 2.76Å; R714-E718 PolarHBondContact NH2-OE1 3.16Å; R714-E718 WeakPolarHBondContact O-CG 3.32Å; R714-E718 PolarHBondContact O-N 3.33Å; R714-L725 HydrophobicContact CG-CD1 4.22Å; R714-L725 PolarHBondContact NH2-O 3.48Å
715	M	98.1	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-35.4	-178.1	-177.7	176.8	-64.9	0	0	112.3	L541 L547 V551 Y555 M686 C689 K690 F711 R712 R713 W717 E718 I719	L541-M715 HydrophobicContact CD1-CG 4.24Å; L541-M715 HydrophobicContact CD2-CB 4.07Å; L541-M715 HydrophobicContact CD2-CG 3.94Å; L541-M715 HydrophobicContact CD2-SD 3.55Å; L541-M715 VanDerWaalsContact CD2-SD 3.55Å; L547-M715 HydrophobicContact CD1-SD 4.5Å; V551-M715 HydrophobicContact CG1-SD 4.24Å; Y555-M715 HydrophobicContact CD1-CE 4.02Å; Y555-M715 HydrophobicContact CD2-CE 3.84Å; Y555-M715 HydrophobicContact CD2-CG 3.65Å; Y555-M715 HydrophobicContact CD2-SD 3.92Å; Y555-M715 HydrophobicContact CE1-CE 3.93Å; Y555-M715 HydrophobicContact CE2-CB 4.46Å; Y555-M715 HydrophobicContact CE2-CE 3.76Å; Y555-M715 HydrophobicContact CE2-CG 3.75Å; Y555-M715 HydrophobicContact CE2-SD 4.28Å; Y555-M715 HydrophobicContact CG-CE 3.95Å; Y555-M715 HydrophobicContact CG-CG 4.5Å; Y555-M715 HydrophobicContact CG-SD 4.2Å; M686-M715 HydrophobicContact CE-CB 4.4Å; M686-M715 HydrophobicContact CE-CE 3.62Å; M686-M715 HydrophobicContact CE-SD 4.2Å; M686-M715 HydrophobicContact SD-CE 3.94Å; M686-M715 HydrophobicContact SD-SD 3.92Å; C689-M715 HydrophobicContact CB-CE 3.54Å; K690-M715 HydrophobicContact CD-CE 4.4Å; F711-M715 WeakPolarHBondContact O-CB 3.44Å; F711-M715 PolarHBondContact O-N 3.28Å; R712-M715 PolarHBondContact O-N 3.37Å; R713-M715 VanDerWaalsContact C-N 3.32Å; R713-M715 PolarHBondContact O-N 3.11Å; M715-W717 VanDerWaalsContact C-N 3.32Å; M715-W717 PolarHBondContact O-N 3.36Å; M715-E718 PolarHBondContact O-N 3.49Å; M715-I719 HydrophobicContact CG-CD1 3.68Å; M715-I719 HydrophobicContact CG-CG1 4.26Å; M715-I719 VanDerWaalsContact O-CB 3.26Å; M715-I719 WeakPolarHBondContact O-CB 3.44Å; M715-I719 WeakPolarHBondContact O-CG1 3.49Å; M715-I719 PolarHBondContact O-N 3.08Å; M715-I719 HydrophobicContact SD-CD1 4.38Å
716	V	97.6	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-49.5	169.6	174.7	0	0	0	0	110	V511 A514 L515 L538 L541 R712 R713 R714 I719 M720	V511-V716 HydrophobicContact CB-CG1 4.36Å; V511-V716 HydrophobicContact CG1-CB 4.09Å; V511-V716 HydrophobicContact CG1-CG1 4.15Å; V511-V716 HydrophobicContact CG1-CG2 4.44Å; V511-V716 HydrophobicContact CG2-CB 4.16Å; V511-V716 HydrophobicContact CG2-CG1 4.2Å; A514-V716 HydrophobicContact CB-CG1 3.85Å; L515-V716 HydrophobicContact CD1-CG2 4.27Å; L515-V716 HydrophobicContact CD2-CG2 3.94Å; L515-V716 HydrophobicContact CG-CG2 4.23Å; L538-V716 HydrophobicContact CD1-CG1 4.47Å; L541-V716 HydrophobicContact CB-CG2 3.62Å; L541-V716 HydrophobicContact CD1-CB 4.43Å; L541-V716 HydrophobicContact CD1-CG2 3.55Å; L541-V716 HydrophobicContact CG-CG2 4.17Å; R712-V716 PolarHBondContact O-N 2.92Å; R713-V716 WeakPolarHBondContact O-CB 3.42Å; R713-V716 PolarHBondContact O-N 3.42Å; R714-V716 VanDerWaalsContact C-N 3.35Å; R714-V716 PolarHBondContact O-N 3.2Å; V716-I719 PolarHBondContact O-N 2.97Å; V716-M720 HydrophobicContact CG1-SD 3.85Å; V716-M720 WeakPolarHBondContact O-CG 3.32Å; V716-M720 PolarHBondContact O-N 3.49Å
717	W	97.4	Very high	96.4	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-46.5	179	-168.4	84.2	0	0	0	112.9	M507 E510 V511 R713 R714 M715 I719 M720 N721 K723 L725	M507-W717 HydrophobicContact CB-CG 4.32Å; M507-W717 HydrophobicContact CE-CD2 3.51Å; M507-W717 HydrophobicContact CE-CE3 3.71Å; M507-W717 HydrophobicContact CE-CG 4.03Å; M507-W717 HydrophobicContact CE-CH2 4.2Å; M507-W717 HydrophobicContact CE-CZ2 4.02Å; M507-W717 HydrophobicContact CE-CZ3 4.06Å; M507-W717 HydrophobicContact CG-CD2 4.47Å; M507-W717 HydrophobicContact CG-CZ2 4.45Å; E510-W717 VanDerWaalsContact OE2-CD1 3.23Å; E510-W717 PolarHBondContact OE2-NE1 3.18Å; V511-W717 HydrophobicContact CG2-CB 3.81Å; R713-W717 PolarHBondContact O-N 3.07Å; R714-W717 WeakPolarHBondContact O-CB 3.21Å; R714-W717 PolarHBondContact O-N 3.49Å; R714-W717 VanDerWaalsContact O-N 3.11Å; M715-W717 VanDerWaalsContact C-N 3.32Å; M715-W717 PolarHBondContact O-N 3.36Å; W717-I719 PolarHBondContact O-N 2.99Å; W717-M720 PolarHBondContact O-N 2.96Å; W717-N721 HydrophobicContact CD2-CB 4.44Å; W717-N721 VanDerWaalsContact CE2-ND2 3.32Å; W717-N721 HydrophobicContact CE3-CB 4.42Å; W717-N721 HydrophobicContact CH2-CB 3.9Å; W717-N721 HydrophobicContact CZ2-CB 3.9Å; W717-N721 HydrophobicContact CZ3-CB 4.15Å; W717-N721 PolarHBondContact NE1-ND2 3.29Å; W717-N721 WeakPolarHBondContact O-CB 3.46Å; W717-N721 PolarHBondContact O-N 3.06Å; W717-N721 PolarHBondContact O-ND2 3.42Å; W717-K723 HydrophobicContact CH2-CD 4.22Å; W717-K723 HydrophobicContact CZ3-CB 4.41Å; W717-K723 HydrophobicContact CZ3-CD 4.49Å; W717-L725 HydrophobicContact CE3-CD1 3.99Å; W717-L725 HydrophobicContact CE3-CD2 4.28Å; W717-L725 HydrophobicContact CE3-CG 4.17Å; W717-L725 HydrophobicContact CH2-CD2 4.3Å; W717-L725 HydrophobicContact CZ3-CD1 4.19Å; W717-L725 HydrophobicContact CZ3-CD2 3.63Å; W717-L725 HydrophobicContact CZ3-CG 3.94Å
718	E	97.5	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-35.7	177.8	-69.7	-176.1	142.9	0	0	111.9	Y555 R714 M715 H722 K723 L724 L725	Y555-E718 HydrophobicContact CE2-CB 4.5Å; Y555-E718 VanDerWaalsContact CE2-OE2 3.26Å; Y555-E718 WeakPolarHBondContact CE2-OE2 3.47Å; Y555-E718 PolarHBondContact OH-OE2 3.24Å; R714-E718 HydrophobicContact CG-CG 3.96Å; R714-E718 IonicContact CZ-OE1 3.13Å; R714-E718 IonicContact NE-OE1 3.74Å; R714-E718 PolarHBondContact NE-OE1 3.07Å; R714-E718 IonicContact NE-OE2 2.69Å; R714-E718 IonicContact NH2-OE1 2.76Å; R714-E718 PolarHBondContact NH2-OE1 3.16Å; R714-E718 WeakPolarHBondContact O-CG 3.32Å; R714-E718 PolarHBondContact O-N 3.33Å; M715-E718 PolarHBondContact O-N 3.49Å; E718-H722 CarbonylContact O-C 3.48Å; E718-H722 WeakPolarHBondContact O-CA 3.5Å; E718-H722 PolarHBondContact O-N 2.71Å; E718-K723 WeakPolarHBondContact CA-O 3.46Å; E718-K723 WeakPolarHBondContact CG-O 3.5Å; E718-K723 PolarHBondContact O-N 3.45Å; E718-L724 HydrophobicContact CB-CD2 4.14Å; E718-L724 HydrophobicContact CG-CD2 4.29Å; E718-L724 WeakPolarHBondContact OE1-CA 3.48Å; E718-L725 HydrophobicContact CG-CG 4.43Å; E718-L725 PolarHBondContact OE1-N 3.07Å
719	I	97.4	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-77.9	-36.8	178.9	-74.2	174.9	0	0	0	112.6	S526 L533 L538 L541 V551 F554 Y555 L558 M715 V716 W717 H722	S526-I719 WeakPolarHBondContact CB-O 3.45Å; S526-I719 PolarHBondContact OG-O 3.18Å; L533-I719 HydrophobicContact CD1-CG2 3.33Å; L538-I719 HydrophobicContact CD2-CG2 3.73Å; L541-I719 HydrophobicContact CD1-CD1 4.21Å; V551-I719 HydrophobicContact CG1-CD1 4.02Å; F554-I719 HydrophobicContact CD1-CB 4.44Å; F554-I719 HydrophobicContact CD1-CG1 4.09Å; F554-I719 HydrophobicContact CD1-CG2 3.97Å; F554-I719 HydrophobicContact CE1-CG2 4.05Å; Y555-I719 HydrophobicContact CD2-CD1 4.37Å; Y555-I719 HydrophobicContact CD2-CG1 4.29Å; L558-I719 HydrophobicContact CD1-CG1 3.97Å; M715-I719 HydrophobicContact CG-CD1 3.68Å; M715-I719 HydrophobicContact CG-CG1 4.26Å; M715-I719 VanDerWaalsContact O-CB 3.26Å; M715-I719 WeakPolarHBondContact O-CB 3.44Å; M715-I719 WeakPolarHBondContact O-CG1 3.49Å; M715-I719 PolarHBondContact O-N 3.08Å; M715-I719 HydrophobicContact SD-CD1 4.38Å; V716-I719 PolarHBondContact O-N 2.97Å; W717-I719 PolarHBondContact O-N 2.99Å; I719-H722 PolarHBondContact O-CD2 3.48Å
720	M	96.3	Very high	96.3	Very high	45 Å²	45	37.4 Å²	37.4	22%	0.222	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-38.1	175.5	-70.6	174.1	70.9	0	0	112.2	E510 A514 L538 V716 W717	E510-M720 HydrophobicContact CG-CE 3.64Å; E510-M720 HydrophobicContact CG-SD 4.2Å; E510-M720 WeakPolarHBondContact OE1-CE 3.35Å; A514-M720 HydrophobicContact CB-CE 4.04Å; A514-M720 HydrophobicContact CB-SD 3.44Å; A514-M720 WeakPolarHBondContact CB-SD 3.45Å; L538-M720 HydrophobicContact CD1-CG 3.98Å; L538-M720 HydrophobicContact CD1-SD 4.4Å; V716-M720 HydrophobicContact CG1-SD 3.85Å; V716-M720 WeakPolarHBondContact O-CG 3.32Å; V716-M720 PolarHBondContact O-N 3.49Å; W717-M720 PolarHBondContact O-N 2.96Å
721	N	96	Very high	96.3	Very high	67 Å²	67	37.3 Å²	37.3	36%	0.358	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.8	-174.3	-72.1	-94.9	0	0	0	113.8	E510 W717 K723	E510-N721 PolarHBondContact OE1-ND2 3.05Å; E510-N721 PolarHBondContact OE2-ND2 3.06Å; W717-N721 HydrophobicContact CD2-CB 4.44Å; W717-N721 VanDerWaalsContact CE2-ND2 3.32Å; W717-N721 HydrophobicContact CE3-CB 4.42Å; W717-N721 HydrophobicContact CH2-CB 3.9Å; W717-N721 HydrophobicContact CZ2-CB 3.9Å; W717-N721 HydrophobicContact CZ3-CB 4.15Å; W717-N721 PolarHBondContact NE1-ND2 3.29Å; W717-N721 WeakPolarHBondContact O-CB 3.46Å; W717-N721 PolarHBondContact O-N 3.06Å; W717-N721 PolarHBondContact O-ND2 3.42Å; N721-K723 HydrophobicContact CB-CB 4.36Å; N721-K723 VanDerWaalsContact O-CB 3.29Å; N721-K723 WeakPolarHBondContact O-CB 3.42Å; N721-K723 PolarHBondContact O-N 3.35Å
722	H	95.3	Very high	96.2	Very high	91 Å²	91	39.9 Å²	39.9	42%	0.421	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	28.6	-174.3	-57.7	169.4	0	0	0	114	S526 E527 F554 L558 E718 I719	S526-H722 PolarHBondContact OG-CD2 3.39Å; S526-H722 PolarHBondContact OG-NE2 3.01Å; E527-H722 PolarHBondContact O-CE1 3.1Å; E527-H722 PolarHBondContact O-NE2 3.3Å; F554-H722 AromaticContact CZ-CD2 3.75Å; F554-H722 AromaticContact CZ-NE2 3.73Å; L558-H722 HydrophobicContact CD2-CB 4.21Å; E718-H722 CarbonylContact O-C 3.48Å; E718-H722 WeakPolarHBondContact O-CA 3.5Å; E718-H722 PolarHBondContact O-N 2.71Å; I719-H722 PolarHBondContact O-CD2 3.48Å
723	K	94.1	Very high	96	Very high	125 Å²	125	42.4 Å²	42.4	54%	0.543	20%	0.195	S	C	.	.			trans	-138.5	112.6	-163.7	-178.5	179.7	174.3	-171.3	0	111.3	W717 E718 N721	W717-K723 HydrophobicContact CH2-CD 4.22Å; W717-K723 HydrophobicContact CZ3-CB 4.41Å; W717-K723 HydrophobicContact CZ3-CD 4.49Å; E718-K723 WeakPolarHBondContact CA-O 3.46Å; E718-K723 WeakPolarHBondContact CG-O 3.5Å; E718-K723 PolarHBondContact O-N 3.45Å; N721-K723 HydrophobicContact CB-CB 4.36Å; N721-K723 VanDerWaalsContact O-CB 3.29Å; N721-K723 WeakPolarHBondContact O-CB 3.42Å; N721-K723 PolarHBondContact O-N 3.35Å
724	L	94.3	Very high	96	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.147	18%	0.182	C	C	.	.			trans	-78.7	139.8	173.7	-60.5	168.3	0	0	0	110.5	Y555 L558 L559 R562 E718	Y555-L724 HydrophobicContact CD2-CD2 4.32Å; Y555-L724 HydrophobicContact CE2-CD2 3.51Å; L558-L724 HydrophobicContact CB-CD1 3.92Å; L558-L724 HydrophobicContact CB-CD2 4.17Å; L558-L724 HydrophobicContact CB-CG 4.07Å; L558-L724 HydrophobicContact CD1-CD2 4.33Å; L558-L724 WeakPolarHBondContact O-CD1 3.49Å; L559-L724 HydrophobicContact CD2-CD1 3.83Å; R562-L724 HydrophobicContact CB-CD1 4.1Å; E718-L724 HydrophobicContact CB-CD2 4.14Å; E718-L724 HydrophobicContact CG-CD2 4.29Å; E718-L724 WeakPolarHBondContact OE1-CA 3.48Å
725	L	90.7	Very high	95.9	Very high	72 Å²	72	41.1 Å²	41.1	38%	0.377	20%	0.196	S	C	.	.			trans	-90.5	0	-177.8	-61.9	169.2	0	0	0	113.9	L503 M507 R714 W717 E718	L503-L725 HydrophobicContact CD2-CD1 4.14Å; M507-L725 HydrophobicContact CE-CD1 3.71Å; M507-L725 HydrophobicContact CE-CD2 4.4Å; R714-L725 HydrophobicContact CG-CD1 4.22Å; R714-L725 PolarHBondContact NH2-O 3.48Å; W717-L725 HydrophobicContact CE3-CD1 3.99Å; W717-L725 HydrophobicContact CE3-CD2 4.28Å; W717-L725 HydrophobicContact CE3-CG 4.17Å; W717-L725 HydrophobicContact CH2-CD2 4.3Å; W717-L725 HydrophobicContact CZ3-CD1 4.19Å; W717-L725 HydrophobicContact CZ3-CD2 3.63Å; W717-L725 HydrophobicContact CZ3-CG 3.94Å; E718-L725 HydrophobicContact CG-CG 4.43Å; E718-L725 PolarHBondContact OE1-N 3.07Å

Retrieved 725 of 725 residues in 683 ms (Link to these results)

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