A0A087YAH5_POEFO Loading...

Tubulin tyrosine ligase-like family, member 11

AlphaFold DB , UniProt , Accession A0A087YAH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 733 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	38.9	Very low	37.3	Very low	125 Å²	125	106 Å²	106	62%	0.616	55%	0.554	S	S	*	*				0	-45.5	0	-105.7	-126.2	-155.7	0	0	110.4	D3	M1-D3 PolarHBondContact N-OD2 3.36Å; M1-D3 PolarHBondContact O-N 3.16Å
2	S	31.3	Very low	37.8	Very low	94 Å²	94	103.3 Å²	103.3	66%	0.657	54%	0.54	S	S	*	.	H	α-helix	trans	-20.5	-61.7	149.1	26.9	0	0	0	0	114.6	H4 Y5 G6	S2-H4 PolarHBondContact O-N 3.27Å; S2-Y5 CarbonylContact O-C 3.58Å; S2-Y5 WeakPolarHBondContact O-CB 3.37Å; S2-Y5 PolarHBondContact O-N 3.33Å; S2-G6 PolarHBondContact O-N 3.24Å; S2-G6 VanDerWaalsContact O-N 3.08Å
3	D	34.2	Very low	38	Very low	100 Å²	100	98.8 Å²	98.8	54%	0.535	53%	0.534	S	S	.	.	H	α-helix	trans	-55.9	-49.2	-168	-2.3	-65.4	0	0	0	112.4	M1 Y5 G6 D7	M1-D3 PolarHBondContact N-OD2 3.36Å; M1-D3 PolarHBondContact O-N 3.16Å; D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 PolarHBondContact O-N 3.39Å; D3-G6 CarbonylContact O-C 3.56Å; D3-G6 VanDerWaalsContact O-CA 3.26Å; D3-G6 WeakPolarHBondContact O-CA 3.48Å; D3-G6 PolarHBondContact O-N 3.12Å; D3-D7 PolarHBondContact O-N 2.94Å
4	H	39	Very low	38	Very low	113 Å²	113	101.4 Å²	101.4	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-20.8	-179.7	-152.1	27.7	0	0	0	113.6	S2 V8	S2-H4 PolarHBondContact O-N 3.27Å; H4-V8 WeakPolarHBondContact O-CG2 3.2Å
5	Y	41.2	Very low	37.9	Very low	139 Å²	139	103.8 Å²	103.8	55%	0.545	55%	0.55	S	S	.	*	H	α-helix	trans	-85.3	-16	167.5	-78	-87.9	0	0	0	112.3	S2 D3	S2-Y5 CarbonylContact O-C 3.58Å; S2-Y5 WeakPolarHBondContact O-CB 3.37Å; S2-Y5 PolarHBondContact O-N 3.33Å; D3-Y5 VanDerWaalsContact C-N 3.26Å; D3-Y5 PolarHBondContact O-N 3.39Å
6	G	35.2	Very low	38	Very low	34 Å²	34	106 Å²	106	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-73.1	-51.8	168.1	0	0	0	0	0	111.8	S2 D3 V8 K9 V10	S2-G6 PolarHBondContact O-N 3.24Å; S2-G6 VanDerWaalsContact O-N 3.08Å; D3-G6 CarbonylContact O-C 3.56Å; D3-G6 VanDerWaalsContact O-CA 3.26Å; D3-G6 WeakPolarHBondContact O-CA 3.48Å; D3-G6 PolarHBondContact O-N 3.12Å; G6-V8 VanDerWaalsContact C-N 3.33Å; G6-V8 PolarHBondContact O-N 3.49Å; G6-K9 WeakPolarHBondContact O-CA 3.26Å; G6-K9 WeakPolarHBondContact O-CB 3.35Å; G6-K9 PolarHBondContact O-N 3.08Å; G6-V10 PolarHBondContact O-N 3.35Å
7	D	35.1	Very low	37.8	Very low	99 Å²	99	104.3 Å²	104.3	53%	0.529	55%	0.553	S	S	.	*	H	α-helix	trans	-57.6	-42.8	-177	-59.9	-36.3	0	0	0	112.8	D3 K9 V10 Q11	D3-D7 PolarHBondContact O-N 2.94Å; D7-K9 PolarHBondContact O-N 3.28Å; D7-V10 WeakPolarHBondContact O-CB 3.41Å; D7-V10 PolarHBondContact O-N 3.15Å; D7-Q11 PolarHBondContact O-N 3.03Å
8	V	40	Very low	37.7	Very low	74 Å²	74	106.6 Å²	106.6	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-28.4	178.3	176.3	0	0	0	0	111.8	H4 G6 V10 Q11 L12	H4-V8 WeakPolarHBondContact O-CG2 3.2Å; G6-V8 VanDerWaalsContact C-N 3.33Å; G6-V8 PolarHBondContact O-N 3.49Å; V8-V10 VanDerWaalsContact C-N 3.28Å; V8-V10 PolarHBondContact O-N 3.31Å; V8-Q11 PolarHBondContact O-N 2.97Å; V8-L12 PolarHBondContact O-N 3.4Å
9	K	36.9	Very low	37.5	Very low	168 Å²	168	103.6 Å²	103.6	73%	0.73	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-30.3	173.7	-163.2	-175.2	179.1	-172.6	0	111.7	G6 D7 G13	G6-K9 WeakPolarHBondContact O-CA 3.26Å; G6-K9 WeakPolarHBondContact O-CB 3.35Å; G6-K9 PolarHBondContact O-N 3.08Å; D7-K9 PolarHBondContact O-N 3.28Å; K9-G13 PolarHBondContact O-N 2.98Å
10	V	41.7	Very low	37.3	Very low	94 Å²	94	106.2 Å²	106.2	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-72.4	-46.4	175.6	-175.1	0	0	0	0	110.6	G6 D7 V8 L12 G13 Q14	G6-V10 PolarHBondContact O-N 3.35Å; D7-V10 WeakPolarHBondContact O-CB 3.41Å; D7-V10 PolarHBondContact O-N 3.15Å; V8-V10 VanDerWaalsContact C-N 3.28Å; V8-V10 PolarHBondContact O-N 3.31Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.21Å; V10-G13 PolarHBondContact O-N 3.46Å; V10-G13 VanDerWaalsContact O-N 3.12Å; V10-Q14 PolarHBondContact O-N 3.41Å
11	Q	36.6	Very low	37.1	Very low	126 Å²	126	108.7 Å²	108.7	59%	0.589	58%	0.583	S	S	*	*	H	α-helix	trans	-60.5	-39.9	176.4	-70.7	-173.9	-41.5	0	0	112.3	D7 V8 G13 Q14 M15	D7-Q11 PolarHBondContact O-N 3.03Å; V8-Q11 PolarHBondContact O-N 2.97Å; Q11-G13 VanDerWaalsContact C-N 3.29Å; Q11-G13 PolarHBondContact O-N 3.31Å; Q11-Q14 PolarHBondContact O-N 3.05Å; Q11-M15 PolarHBondContact O-N 3.38Å
12	L	43.6	Very low	37	Very low	74 Å²	74	106.8 Å²	106.8	39%	0.387	59%	0.587	S	S	.	*	H	α-helix	trans	-67.1	-30.1	176.8	-158.8	77.2	0	0	0	112.7	V8 V10 Q14 M15 K16 Y391	V8-L12 PolarHBondContact O-N 3.4Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.21Å; L12-Q14 VanDerWaalsContact C-N 3.32Å; L12-Q14 PolarHBondContact O-N 3.46Å; L12-M15 PolarHBondContact O-N 3.14Å; L12-K16 PolarHBondContact O-N 3.42Å; L12-K16 VanDerWaalsContact O-N 3.15Å; L12-Y391 WeakPolarHBondContact CD2-OH 3.44Å
13	G	40.7	Very low	37.1	Very low	45 Å²	45	111.1 Å²	111.1	46%	0.464	60%	0.597	S	S	.	*	H	α-helix	trans	-62	-38.5	173.4	0	0	0	0	0	112.8	K9 V10 Q11	K9-G13 PolarHBondContact O-N 2.98Å; V10-G13 PolarHBondContact O-N 3.46Å; V10-G13 VanDerWaalsContact O-N 3.12Å; Q11-G13 VanDerWaalsContact C-N 3.29Å; Q11-G13 PolarHBondContact O-N 3.31Å
14	Q	37.4	Very low	36.9	Very low	135 Å²	135	115.9 Å²	115.9	63%	0.631	61%	0.613	S	S	*	*	H	α-helix	trans	-76.4	-21	178.1	-65.9	176.3	-28.4	0	0	113.6	V10 Q11 L12 S17	V10-Q14 PolarHBondContact O-N 3.41Å; Q11-Q14 PolarHBondContact O-N 3.05Å; L12-Q14 VanDerWaalsContact C-N 3.32Å; L12-Q14 PolarHBondContact O-N 3.46Å; Q14-S17 PolarHBondContact O-OG 2.68Å
15	M	36.1	Very low	36.5	Very low	137 Å²	137	119.7 Å²	119.7	68%	0.675	63%	0.631	S	S	*	*	H	α-helix	trans	-85.8	-27.5	175.1	-73.6	-176.4	160.3	0	0	113.3	Q11 L12 L18	Q11-M15 PolarHBondContact O-N 3.38Å; L12-M15 PolarHBondContact O-N 3.14Å; M15-L18 PolarHBondContact O-N 2.84Å
16	K	40.7	Very low	35.9	Very low	139 Å²	139	122.1 Å²	122.1	60%	0.604	65%	0.647	S	S	*	*	H	α-helix	trans	-64.3	-41.5	175.5	-81.5	-164.9	162.9	-144.3	0	112.7	L12 L18 G19	L12-K16 PolarHBondContact O-N 3.42Å; L12-K16 VanDerWaalsContact O-N 3.15Å; K16-L18 PolarHBondContact O-N 3.27Å; K16-G19 PolarHBondContact O-N 3.08Å; K16-G19 VanDerWaalsContact O-N 3.08Å
17	S	34.1	Very low	35.6	Very low	77 Å²	77	126.7 Å²	126.7	54%	0.538	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.1	11.7	177.2	56	0	0	0	0	115.1	Q14	Q14-S17 PolarHBondContact O-OG 2.68Å
18	L	36.1	Very low	35.3	Very low	145 Å²	145	129 Å²	129	76%	0.759	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	4.3	174.4	-67.6	171.5	0	0	0	112.3	M15 K16	M15-L18 PolarHBondContact O-N 2.84Å; K16-L18 PolarHBondContact O-N 3.27Å
19	G	34.4	Very low	35.5	Very low	51 Å²	51	131.1 Å²	131.1	53%	0.526	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.2	-6.1	-179.1	0	0	0	0	0	115.1	K16	K16-G19 PolarHBondContact O-N 3.08Å; K16-G19 VanDerWaalsContact O-N 3.08Å
20	E	33.3	Very low	35.2	Very low	155 Å²	155	132.1 Å²	132.1	72%	0.724	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-5.4	-173.7	-68	177.8	161.5	0	0	113.6
21	D	33.3	Very low	34.6	Very low	158 Å²	158	137 Å²	137	85%	0.845	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	3.3	179.2	-68.2	-44.3	0	0	0	114.4
22	A	35.5	Very low	34.1	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	74%	0.735	S	S	*	*	S	Bend	trans	-112.8	-10.3	-166.5	0	0	0	0	0	116.5
23	E	33.2	Very low	33.4	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.864	75%	0.752	S	S	*	*			trans	-126	74	-175.6	-70.2	-172.7	165	0	0	112.2
24	K	31.1	Very low	33.2	Very low	201 Å²	201	147.6 Å²	147.6	87%	0.874	77%	0.768	S	S	*	*			trans	-149	85.2	165.1	-76.9	-166.4	179.6	175.3	0	112.8
25	E	30.8	Very low	32.8	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	77%	0.772	S	S	*	*			trans	-159.1	166.1	146	-122.9	165	-157.4	0	0	110.7
26	E	28.3	Very low	32.4	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	78%	0.779	S	S	*	*			trans	63.9	111.2	-176.4	-56.4	-160.9	149.9	0	0	117.8
27	V	28.8	Very low	31.8	Very low	131 Å²	131	144.6 Å²	144.6	79%	0.794	79%	0.788	S	S	*	*			trans	-144.1	153.9	171.8	166.5	0	0	0	0	108.1
28	D	29.7	Very low	32.5	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	80%	0.802	S	S	*	*			trans	83.1	151.1	169.6	-74.2	-20.5	0	0	0	120.1
29	P	43	Very low	32	Very low	120 Å²	120	145.6 Å²	145.6	78%	0.779	80%	0.804	S	S	*	*			cis	-129.7	-169.5	-9.9	28.6	-5.6	0	0	0	115.2
30	E	30.4	Very low	31.7	Very low	189 Å²	189	148 Å²	148	88%	0.883	82%	0.819	S	S	*	*			trans	-83.9	164	-173.6	-50.9	166.3	119.4	0	0	115.2
31	E	29	Very low	31.6	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	82%	0.821	S	S	*	*			trans	-156.2	171.4	139	-135.3	176.6	-148.6	0	0	111.9
32	E	27.2	Very low	32	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	82%	0.819	S	S	*	*			trans	-100.1	173.3	-151.9	-67	-165.2	106.7	0	0	119
33	M	27.2	Very low	31.9	Very low	154 Å²	154	147.2 Å²	147.2	76%	0.759	82%	0.823	S	S	*	*			trans	-46.6	167.4	168.3	-73.6	-78.6	-77.6	0	0	115.6	V35	M33-V35 HydrophobicContact CE-CG2 4.3Å
34	P	37.1	Very low	32.5	Very low	122 Å²	122	144.2 Å²	144.2	79%	0.792	82%	0.82	S	S	*	*			cis	-150.1	-159.9	36.8	44.2	-21.3	0	0	0	118
35	V	30.1	Very low	32.4	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.715	82%	0.819	S	S	*	*			trans	-106.9	146.7	-169.5	176.3	0	0	0	0	112.9	M33	M33-V35 HydrophobicContact CE-CG2 4.3Å
36	S	26.4	Very low	32.3	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	81%	0.814	S	S	*	*			trans	-151.5	159.1	161.2	64.7	0	0	0	0	113.9
37	S	29.6	Very low	32.2	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	81%	0.814	S	S	*	*			trans	-112.8	170	-169.7	-61.9	0	0	0	0	112.1
38	P	46.9	Very low	32.1	Very low	129 Å²	129	130.5 Å²	130.5	84%	0.838	81%	0.813	S	S	*	*			trans	-97.2	164.2	-155	37.8	-37.7	0	0	0	116.7
39	S	26.7	Very low	32.1	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	82%	0.816	S	S	*	*			trans	-156.4	132.8	166.1	62.8	0	0	0	0	115.7
40	A	28.1	Very low	31.3	Very low	103 Å²	103	131.4 Å²	131.4	85%	0.851	81%	0.814	S	S	*	*			trans	61.6	137	146.5	0	0	0	0	0	123.2
41	S	31.1	Very low	31.2	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	81%	0.811	S	S	*	*			trans	-82.2	172.4	164.1	-39.6	0	0	0	0	112
42	P	42	Very low	31.2	Very low	125 Å²	125	123.8 Å²	123.8	81%	0.812	80%	0.803	S	S	*	*				-148.5	163.1	89.8	39.7	-23.7	0	0	0	116.7
43	D	32.5	Very low	32	Very low	147 Å²	147	120.8 Å²	120.8	79%	0.786	80%	0.8	S	S	*	*			trans	-77.4	171.7	163.2	-54.4	-68.3	0	0	0	111.5
44	P	45.9	Very low	32	Very low	123 Å²	123	116.7 Å²	116.7	80%	0.799	80%	0.797	S	S	*	*				-150.5	158.8	91.4	38.9	-21.9	0	0	0	117.6
45	A	30.1	Very low	31.6	Very low	104 Å²	104	117 Å²	117	86%	0.86	80%	0.797	S	S	*	*			trans	65.9	143.5	159.6	0	0	0	0	0	119.5
46	G	28.8	Very low	31.6	Very low	77 Å²	77	118.7 Å²	118.7	79%	0.794	80%	0.802	S	S	*	*			cis	135.7	116.7	-14.2	0	0	0	0	0	115.1
47	C	26	Very low	31.7	Very low	132 Å²	132	117.2 Å²	117.2	89%	0.892	80%	0.797	S	S	*	*			trans	-159.7	143.9	151	-157.5	0	0	0	0	110.5
48	C	26	Very low	31.7	Very low	112 Å²	112	119.7 Å²	119.7	76%	0.757	80%	0.801	S	S	*	*			trans	-108.5	165.5	176.9	-65.1	0	0	0	0	110.6
49	I	29.1	Very low	30.7	Very low	167 Å²	167	119.3 Å²	119.3	86%	0.856	80%	0.801	S	S	*	*				-167.7	142.6	120.3	-98	154.4	0	0	0	110
50	T	27.8	Very low	30.8	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	80%	0.799	S	S	*	*			trans	-84.3	167.2	177.8	45.3	0	0	0	0	110.4
51	T	27.4	Very low	30.8	Very low	135 Å²	135	121.7 Å²	121.7	83%	0.828	80%	0.795	S	S	*	*				-169.7	166	70.1	43.5	0	0	0	0	114.3
52	A	28.9	Very low	30.7	Very low	92 Å²	92	123.7 Å²	123.7	76%	0.76	80%	0.796	S	S	*	*			trans	-127.5	-171.6	159.2	0	0	0	0	0	106.6
53	P	44.3	Very low	29.9	Very low	127 Å²	127	122.6 Å²	122.6	83%	0.825	79%	0.79	S	S	*	*			cis	-143	-171.8	6.7	44.2	-24.5	0	0	0	116.7
54	G	27.3	Very low	29.6	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	80%	0.796	S	S	*	*			trans	86.4	163	158.5	0	0	0	0	0	117.5
55	T	29.4	Very low	28.7	Very low	128 Å²	128	127 Å²	127	79%	0.785	79%	0.792	S	S	*	*			cis	-164.3	146	-15.7	-5.3	0	0	0	0	111.2
56	D	28.4	Very low	28.7	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	79%	0.791	S	S	*	*			trans	55.5	150.9	149.2	-61.5	-20.8	0	0	0	126.8
57	A	29.3	Very low	28.6	Very low	88 Å²	88	130.9 Å²	130.9	73%	0.727	79%	0.787	S	S	*	*			trans	85.2	102	144.1	0	0	0	0	0	123.7
58	L	29.1	Very low	28.7	Very low	164 Å²	164	134.6 Å²	134.6	86%	0.859	79%	0.788	S	S	*	*				36.9	120.5	122.4	-78.1	145.1	0	0	0	121.4
59	S	27.3	Very low	28.6	Very low	122 Å²	122	140.6 Å²	140.6	85%	0.853	80%	0.795	S	S	*	*				176.8	162.2	107.4	-81	0	0	0	0	116
60	T	27.7	Very low	28.5	Very low	121 Å²	121	137.7 Å²	137.7	74%	0.742	79%	0.789	S	S	*	*			trans	-88.6	163	-171.5	47.7	0	0	0	0	117.2
61	N	28.6	Very low	28.5	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	80%	0.796	S	S	*	*				113.5	146	126.9	-97.7	-29.1	0	0	0	123.3
62	I	28.2	Very low	28.4	Very low	151 Å²	151	146.4 Å²	146.4	77%	0.774	80%	0.799	S	S	*	*			trans	85.7	92.8	155.4	-63.7	152.6	0	0	0	121.7
63	C	25.6	Very low	28.4	Very low	102 Å²	102	149.2 Å²	149.2	69%	0.689	80%	0.801	S	S	*	*			trans	-12.9	144.6	139.4	-178.2	0	0	0	0	122
64	K	26.5	Very low	28.7	Very low	210 Å²	210	149.3 Å²	149.3	91%	0.913	80%	0.802	S	S	*	*			trans	-158.6	169.1	137.8	-111.5	162.6	-171.8	171.2	0	113.3
65	Q	28.1	Very low	28.9	Very low	151 Å²	151	152.6 Å²	152.6	71%	0.706	81%	0.813	S	S	*	*			trans	-127.1	169.3	-163.9	-57.3	-179.1	-23.3	0	0	116
66	K	29.1	Very low	28.7	Very low	196 Å²	196	149.7 Å²	149.7	85%	0.852	81%	0.809	S	S	*	*			trans	87.8	141.6	156.8	-60	162.1	-175.5	171.2	0	117.1
67	G	26.2	Very low	28.8	Very low	68 Å²	68	152.3 Å²	152.3	70%	0.701	81%	0.813	S	S	*	*			cis	154.8	172.8	-10.9	0	0	0	0	0	115.8
68	K	27.9	Very low	29.7	Very low	210 Å²	210	152.9 Å²	152.9	91%	0.913	81%	0.809	S	S	*	*			trans	73.5	154.5	-179.3	-58.3	170.3	178.3	172	0	113.9
69	R	25.4	Very low	29.8	Very low	238 Å²	238	152.1 Å²	152.1	90%	0.898	81%	0.805	S	S	*	*			cis	-139.8	-172.3	14.6	-135.9	166.5	-177	159.5	-1.7	107.7
70	S	25.9	Very low	30	Very low	105 Å²	105	155.1 Å²	155.1	73%	0.734	81%	0.805	S	S	*	*			cis	-151	-134.2	6.5	-162.4	0	0	0	0	111.5
71	R	28.6	Very low	29.8	Very low	232 Å²	232	152.2 Å²	152.2	88%	0.875	80%	0.8	S	S	*	*			trans	-158.9	161.8	179.6	-67.7	175.6	168.3	170.4	-7.1	112.7
72	K	25.5	Very low	29.7	Very low	204 Å²	204	155.3 Å²	155.3	89%	0.887	81%	0.807	S	S	*	*				-177.3	152.7	118.6	-105	-178.5	178.4	-175.4	0	115.4
73	N	27.8	Very low	30.4	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	81%	0.807	S	S	*	*			trans	-105.5	172	166	-54.8	3.4	0	0	0	109.4
74	P	50.9	Low	30.6	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	81%	0.806	S	S	*	*				-150.8	-156.5	84.1	39	-18.6	0	0	0	113.3
75	C	31.5	Very low	30.6	Very low	136 Å²	136	151.6 Å²	151.6	92%	0.919	80%	0.803	S	S	*	*				-164.2	144.7	-71.2	-170.3	0	0	0	0	110
76	G	25.3	Very low	30.6	Very low	68 Å²	68	148.4 Å²	148.4	70%	0.701	80%	0.802	S	S	*	*			trans	176.1	149.7	175.6	0	0	0	0	0	115.3
77	K	30	Very low	30.4	Very low	209 Å²	209	145.1 Å²	145.1	91%	0.909	80%	0.799	S	S	*	*			trans	-161.5	178.3	-174.9	-97	-166.9	-179.3	-175.3	0	108.9
78	P	49	Very low	30.4	Very low	99 Å²	99	151.6 Å²	151.6	64%	0.643	81%	0.807	S	S	*	*			cis	-145.4	175.5	17.7	44.4	-25.3	0	0	0	119.6
79	L	31.6	Very low	30.3	Very low	148 Å²	148	148.8 Å²	148.8	78%	0.775	80%	0.802	S	S	*	*			trans	67.7	150	145.2	-77.8	162.4	0	0	0	120.2
80	Q	31.2	Very low	30.3	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	80%	0.796	S	S	*	*			cis	-153.4	150.7	-1.7	-166.3	164.8	14	0	0	111.8
81	G	23.6	Very low	30.2	Very low	61 Å²	61	147 Å²	147	63%	0.629	80%	0.801	S	S	*	*			trans	149.9	116.2	168.1	0	0	0	0	0	115.1
82	F	25.7	Very low	30.2	Very low	209 Å²	209	141.2 Å²	141.2	92%	0.917	80%	0.796	S	S	*	*			trans	-164.8	174.8	-174.1	-91.1	-71.4	0	0	0	109.1
83	P	43.5	Very low	30.6	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	79%	0.786	S	S	*	*			cis	-130.3	-168.6	0.8	30.2	-6.5	0	0	0	115.2
84	A	29	Very low	30.5	Very low	79 Å²	79	136.8 Å²	136.8	65%	0.653	79%	0.786	S	S	*	*			trans	-133.1	-173.5	171.1	0	0	0	0	0	111.5
85	H	27.5	Very low	29.1	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.856	78%	0.781	S	S	*	*			trans	105.1	115.6	156.5	-64.1	-69.6	0	0	0	122.1
86	A	26.6	Very low	28.8	Very low	84 Å²	84	137.8 Å²	137.8	69%	0.694	78%	0.777	S	S	*	*				84.6	120.5	113	0	0	0	0	0	124.5
87	V	25.5	Very low	28.8	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	79%	0.787	S	S	*	*				71.5	110.1	123.5	176.1	0	0	0	0	120.9
88	K	25.8	Very low	28.6	Very low	204 Å²	204	138.7 Å²	138.7	89%	0.887	77%	0.773	S	S	*	*				-174.2	163.4	115.7	-112.4	149.1	-174.1	173.8	0	115.1
89	N	25.4	Very low	27.4	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	79%	0.785	S	S	*	*			trans	-91.3	155.5	168.9	-95.2	-25.7	0	0	0	111.2
90	I	25.9	Very low	27.2	Very low	151 Å²	151	141.5 Å²	141.5	77%	0.774	78%	0.782	S	S	*	*				163.6	131.8	128.3	-87	161.6	0	0	0	112.6
91	N	24	Very low	27.1	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	78%	0.775	S	S	*	*			trans	52.1	148.1	157.1	-62.5	-2.7	0	0	0	124
92	S	28.7	Very low	27.3	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	79%	0.79	S	S	*	*			trans	-84.1	-178.7	162.6	60.2	0	0	0	0	110.7
93	P	34.8	Very low	27.3	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	78%	0.781	S	S	*	*			cis	-153.1	-173.8	24.7	46.1	-24.5	0	0	0	119.9
94	I	24	Very low	26.7	Very low	157 Å²	157	141.8 Å²	141.8	81%	0.805	79%	0.789	S	S	*	*			trans	78.5	158.9	149.5	-78.7	161.1	0	0	0	120.6
95	C	22.2	Very low	26.5	Very low	110 Å²	110	141.6 Å²	141.6	74%	0.743	79%	0.794	S	S	*	*			trans	71.6	128.5	-174.5	-77	0	0	0	0	115.9
96	E	24.9	Very low	26.6	Very low	176 Å²	176	143 Å²	143	82%	0.822	80%	0.798	S	S	*	*			cis	68	110	37.4	-64.5	-160.2	143.8	0	0	115.7
97	Q	26.1	Very low	26.7	Very low	196 Å²	196	146.5 Å²	146.5	92%	0.916	80%	0.804	S	S	*	*			trans	-151.7	110.9	135.3	-127.1	174.7	14.4	0	0	114.8
98	T	25.1	Very low	26.7	Very low	101 Å²	101	147.9 Å²	147.9	62%	0.62	81%	0.806	S	S	*	*			trans	-36.2	150.5	160.7	-48.4	0	0	0	0	116.7
99	L	25	Very low	26.7	Very low	170 Å²	170	146.8 Å²	146.8	89%	0.89	80%	0.804	S	S	*	*			trans	-121.2	154	147.9	-91.6	173.9	0	0	0	111.4
100	L	26.8	Very low	26.7	Very low	136 Å²	136	143 Å²	143	71%	0.712	80%	0.8	S	S	*	*			trans	-89.1	130.3	-154.2	-85.8	79.5	0	0	0	115.8
101	I	28.7	Very low	26.7	Very low	141 Å²	141	145.4 Å²	145.4	72%	0.723	81%	0.805	S	S	*	*				39.7	117.6	109.5	-54.8	170.7	0	0	0	117.7
102	K	27.3	Very low	26.6	Very low	215 Å²	215	143.6 Å²	143.6	94%	0.935	81%	0.805	S	S	*	*				-151	141.1	127.2	-113.7	173.6	-174.9	175.8	0	109.5
103	G	26.4	Very low	26.5	Very low	72 Å²	72	142.9 Å²	142.9	74%	0.742	81%	0.805	S	S	*	*			trans	-155.3	161.4	178.9	0	0	0	0	0	111.9
104	T	30	Very low	26	Very low	153 Å²	153	147.5 Å²	147.5	94%	0.939	82%	0.818	S	S	*	*			trans	-140.8	144.4	162.9	42.5	0	0	0	0	107.5
105	G	26.1	Very low	26.1	Very low	75 Å²	75	144.7 Å²	144.7	77%	0.773	81%	0.812	S	S	*	*			trans	-133.4	165.3	177.5	0	0	0	0	0	110.9
106	K	29.2	Very low	26.3	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	81%	0.808	S	S	*	*			trans	-151.6	154.5	164	-112.1	169.5	-176.2	179	0	110.4
107	I	29.1	Very low	26.2	Very low	159 Å²	159	147 Å²	147	82%	0.815	81%	0.807	S	S	*	*			trans	-121.3	144.2	-172.8	-66.3	165.7	0	0	0	108.2
108	L	25.9	Very low	26.1	Very low	156 Å²	156	143.5 Å²	143.5	82%	0.817	80%	0.795	S	S	*	*			trans	170.1	120.4	153.5	-89.9	151.8	0	0	0	105
109	Q	25.8	Very low	26.1	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	80%	0.804	S	S	*	*			cis	74.1	107.8	39.6	-164.5	-172.8	61.1	0	0	113.5
110	G	24.4	Very low	26.1	Very low	71 Å²	71	146.9 Å²	146.9	73%	0.732	80%	0.8	S	S	*	*			trans	156	58.3	165	0	0	0	0	0	123.2
111	K	25.8	Very low	26	Very low	203 Å²	203	144.4 Å²	144.4	88%	0.883	80%	0.799	S	S	*	*			trans	58.5	152.1	143.9	-65.7	-177.2	174.7	-179.5	0	124.5
112	S	23.3	Very low	25.8	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	81%	0.807	S	S	*	*			trans	67	103.5	141.9	56	0	0	0	0	123.6
113	A	25.9	Very low	25.7	Very low	94 Å²	94	143.1 Å²	143.1	78%	0.777	80%	0.803	S	S	*	*				-170.6	98.5	126.6	0	0	0	0	0	106.6
114	E	24	Very low	25.7	Very low	202 Å²	202	148.5 Å²	148.5	94%	0.944	81%	0.808	S	S	*	*				62.8	129.5	92.2	-67.4	-156.7	146.3	0	0	115.9
115	S	26.4	Very low	25.4	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	81%	0.805	S	S	*	*			trans	-95.1	169.3	179.3	56.1	0	0	0	0	111.9
116	N	25.5	Very low	25.4	Very low	123 Å²	123	149 Å²	149	66%	0.658	81%	0.807	S	S	*	*				175.8	137.5	124.7	-88.5	-12.2	0	0	0	114.4
117	W	22.6	Very low	25.2	Very low	211 Å²	211	146.6 Å²	146.6	80%	0.799	80%	0.804	S	S	*	*			trans	45.1	155.5	135.3	-49	125.2	0	0	0	121.6
118	N	24.3	Very low	25.1	Very low	124 Å²	124	144.8 Å²	144.8	66%	0.663	80%	0.801	S	S	*	*			cis	-156.9	179.4	2.4	-135.9	-20.6	0	0	0	115.2
119	Y	25.5	Very low	25.1	Very low	209 Å²	209	146.7 Å²	146.7	82%	0.82	81%	0.805	S	S	*	*			trans	-42.5	142.4	166.4	-94.1	-110	0	0	0	118.1
120	V	24.7	Very low	25.2	Very low	133 Å²	133	146 Å²	146	81%	0.806	80%	0.802	S	S	*	*			trans	-149	105.8	143.2	-174.2	0	0	0	0	105.6
121	A	25	Very low	25.2	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	80%	0.804	S	S	*	*				64.5	103.5	74.1	0	0	0	0	0	114
122	V	25.2	Very low	25.2	Very low	145 Å²	145	150.1 Å²	150.1	88%	0.879	80%	0.804	S	S	*	*			trans	-104.2	135.4	173.7	178.1	0	0	0	0	109.1
123	H	24.5	Very low	25.6	Very low	183 Å²	183	149.6 Å²	149.6	85%	0.847	80%	0.799	S	S	*	*			trans	-126.1	149.2	174.9	-122.3	-79.4	0	0	0	110.6
124	E	26.6	Very low	25.7	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	80%	0.803	S	S	*	*			trans	-75.9	150.1	-178.8	-59.7	169.3	116.2	0	0	112.7
125	S	23.8	Very low	26.2	Very low	125 Å²	125	150.7 Å²	150.7	87%	0.874	79%	0.793	S	S	*	*			trans	-153.1	143.6	150.6	50.5	0	0	0	0	109.4
126	S	26.4	Very low	26.6	Very low	114 Å²	114	153.3 Å²	153.3	80%	0.797	79%	0.794	S	S	*	*			trans	-110.4	150.1	-168.2	49.6	0	0	0	0	112.6
127	N	23.6	Very low	27.3	Very low	164 Å²	164	156.8 Å²	156.8	88%	0.877	80%	0.804	S	S	*	*			trans	-159.9	165.9	131.8	-129.7	-25	0	0	0	113.2
128	T	27.7	Very low	28.2	Very low	121 Å²	121	154.9 Å²	154.9	74%	0.742	80%	0.801	S	S	*	*			trans	-114.2	139.9	-165.1	-46.1	0	0	0	0	112.5
129	Q	26.8	Very low	29.2	Very low	195 Å²	195	156.3 Å²	156.3	91%	0.911	81%	0.808	S	S	*	*			trans	-154.9	165.2	149.4	-131	171.1	-2.2	0	0	112.8
130	E	26.9	Very low	30.3	Very low	166 Å²	166	152 Å²	152	78%	0.776	81%	0.806	S	S	*	*			trans	-108.9	163.5	-157	-55.4	171.8	96.7	0	0	115.3
131	T	25.1	Very low	31.7	Very low	128 Å²	128	157.3 Å²	157.3	79%	0.785	81%	0.811	S	S	*	*			trans	68.6	145.2	166.8	75.8	0	0	0	0	115.6
132	R	25.6	Very low	33.7	Very low	233 Å²	233	163 Å²	163	88%	0.879	82%	0.82	S	S	*	*			cis	-134.1	170.3	23.8	-71	176.4	172.6	177.2	-3.7	113.2
133	C	32.3	Very low	36.1	Very low	104 Å²	104	164.9 Å²	164.9	70%	0.703	81%	0.812	S	S	*	*			trans	-83.6	132.4	168	-169.3	0	0	0	0	110.5
134	E	28.1	Very low	39.2	Very low	185 Å²	185	162.5 Å²	162.5	86%	0.864	80%	0.795	S	S	*	*			trans	-131.7	116.8	158.7	-69.6	-165.7	159.9	0	0	108.8	E136	E134-E136 PolarHBondContact O-N 3.06Å; E134-E136 VanDerWaalsContact O-N 3.1Å
135	D	32.8	Very low	42.3	Very low	135 Å²	135	156.9 Å²	156.9	72%	0.722	78%	0.775	S	S	*	*			trans	-75.7	94.1	179.3	-89.2	-56.9	0	0	0	110.9	F137	D135-F137 PolarHBondContact O-N 3.2Å
136	E	35.7	Very low	45.7	Very low	153 Å²	153	151.1 Å²	151.1	72%	0.715	73%	0.734	S	S	*	*			trans	-61.3	99.7	162.4	-92.5	-155.8	139.3	0	0	110.1	E134 K138	E134-E136 PolarHBondContact O-N 3.06Å; E134-E136 VanDerWaalsContact O-N 3.1Å; E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.28Å; E136-K138 WeakPolarHBondContact OE2-CE 3.48Å; E136-K138 IonicContact OE2-NZ 3.61Å
137	F	39.2	Very low	49.1	Very low	195 Å²	195	146.1 Å²	146.1	86%	0.855	70%	0.699	S	S	*	*			trans	-60.1	87.6	167.1	-89.5	-98	0	0	0	110.7	D135 L139	D135-F137 PolarHBondContact O-N 3.2Å; F137-L139 VanDerWaalsContact C-N 3.29Å; F137-L139 PolarHBondContact O-N 2.93Å
138	K	41.7	Very low	52.6	Low	172 Å²	172	138.3 Å²	138.3	75%	0.748	66%	0.657	S	S	*	*			trans	-68.8	85.6	176.4	-80.5	165.9	-178.9	149.5	0	110.6	E136	E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.28Å; E136-K138 WeakPolarHBondContact OE2-CE 3.48Å; E136-K138 IonicContact OE2-NZ 3.61Å
139	L	45.2	Very low	55.8	Low	154 Å²	154	132.8 Å²	132.8	81%	0.806	62%	0.623	S	S	*	*			trans	-40.3	128.1	171	-82.4	162.5	0	0	0	110.4	F137 R141	F137-L139 VanDerWaalsContact C-N 3.29Å; F137-L139 PolarHBondContact O-N 2.93Å; L139-R141 PolarHBondContact O-N 3.1Å
140	P	49.2	Very low	59.1	Low	119 Å²	119	123.6 Å²	123.6	77%	0.773	58%	0.58	S	S	*	*			trans	-63.5	110.8	-175.2	24.6	-33.2	0	0	0	109.8	K142	P140-K142 PolarHBondContact O-N 3.4Å
141	R	55.2	Low	62.2	Low	243 Å²	243	118.3 Å²	118.3	92%	0.917	56%	0.561	S	S	*	*			trans	-54.4	111.5	175.2	-81.7	-177.8	165.5	172.7	-3.4	109.2	L139 R143	L139-R141 PolarHBondContact O-N 3.1Å; R141-R143 PolarHBondContact O-N 2.94Å
142	K	65.7	Low	65.5	Low	205 Å²	205	115.2 Å²	115.2	89%	0.891	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-49.3	125.1	173.8	-77.7	-174.7	174	-179.7	0	109.1	P140	P140-K142 PolarHBondContact O-N 3.4Å
143	R	77.1	Confident	68.7	Low	184 Å²	184	104.1 Å²	104.1	69%	0.694	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59.1	140.1	177.7	-64.7	-176.6	179.4	-154.3	-1.3	109.1	R141 F505	R141-R143 PolarHBondContact O-N 2.94Å; R143-F505 PolarHBondContact NH1-O 2.94Å; R143-F505 VanDerWaalsContact NH1-O 3.12Å
144	R	89.4	Confident	71.6	Confident	133 Å²	133	106 Å²	106	50%	0.502	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-63.4	140	168.8	71.3	177.2	-178.8	85	-5.3	108.8	D181 F505	R144-D181 IonicContact CZ-OD1 3.05Å; R144-D181 VanDerWaalsContact CZ-OD1 3.32Å; R144-D181 IonicContact CZ-OD2 2.66Å; R144-D181 VanDerWaalsContact NH1-CG 3.32Å; R144-D181 IonicContact NH1-OD1 3.74Å; R144-D181 PolarHBondContact NH1-OD1 3.19Å; R144-D181 IonicContact NH1-OD2 3.8Å; R144-D181 PolarHBondContact NH1-OD2 3.33Å; R144-D181 IonicContact NH2-OD1 2.72Å; R144-D181 PolarHBondContact NH2-OD1 3.37Å; R144-D181 IonicContact NH2-OD2 2.72Å; R144-F505 HydrophobicContact CG-CE2 4.29Å; R144-F505 HydrophobicContact CG-CZ 3.83Å; R144-F505 WeakPolarHBondContact O-CE2 3.46Å
145	P	90.9	Very high	74.6	Confident	67 Å²	67	100.4 Å²	100.4	44%	0.435	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-61.9	146.7	173.2	26.8	-34.1	0	0	0	110	K170	P145-K170 HydrophobicContact CB-CB 4.35Å; P145-K170 HydrophobicContact CG-CB 4.29Å
146	V	95.9	Very high	77.6	Confident	3 Å²	3	94.4 Å²	94.4	2%	0.018	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-64.1	138.4	170.1	-178	0	0	0	0	108.4	W169 K170 D181 I182 P504 F505	V146-W169 HydrophobicContact CB-CD2 3.59Å; V146-W169 HydrophobicContact CB-CE3 3.82Å; V146-W169 HydrophobicContact CB-CG 3.98Å; V146-W169 HydrophobicContact CB-CH2 4.27Å; V146-W169 HydrophobicContact CB-CZ2 4.11Å; V146-W169 HydrophobicContact CB-CZ3 4.14Å; V146-W169 HydrophobicContact CG1-CD2 4.11Å; V146-W169 HydrophobicContact CG1-CE3 3.78Å; V146-W169 HydrophobicContact CG1-CH2 4.1Å; V146-W169 HydrophobicContact CG1-CZ2 4.44Å; V146-W169 HydrophobicContact CG1-CZ3 3.77Å; V146-W169 HydrophobicContact CG2-CD2 4.07Å; V146-W169 HydrophobicContact CG2-CE3 4.48Å; V146-W169 HydrophobicContact CG2-CH2 4.11Å; V146-W169 HydrophobicContact CG2-CZ2 3.69Å; V146-W169 HydrophobicContact CG2-CZ3 4.49Å; V146-K170 PolarHBondContact O-N 3Å; V146-D181 HydrophobicContact CG1-CB 3.87Å; V146-I182 HydrophobicContact CG1-CD1 4.15Å; V146-I182 HydrophobicContact CG1-CG1 4.41Å; V146-P504 HydrophobicContact CG1-CG 4.3Å; V146-P504 HydrophobicContact CG2-CG 4.2Å; V146-F505 HydrophobicContact CG2-CD2 3.7Å; V146-F505 HydrophobicContact CG2-CE2 3.67Å
147	T	96.2	Very high	80.5	Confident	9 Å²	9	89.5 Å²	89.5	6%	0.055	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.7	-178	59.9	0	0	0	0	111.4	K170 F172 R176 D181 I182	T147-K170 WeakPolarHBondContact CA-O 3.37Å; T147-K170 HydrophobicContact CG2-CB 4.43Å; T147-F172 HydrophobicContact CG2-CE2 3.8Å; T147-R176 PolarHBondContact OG1-NH2 2.96Å; T147-D181 WeakPolarHBondContact CB-OD2 3.48Å; T147-D181 PolarHBondContact N-OD2 3.15Å; T147-D181 PolarHBondContact O-N 2.96Å; T147-D181 PolarHBondContact OG1-N 3.11Å; T147-D181 VanDerWaalsContact OG1-N 3.08Å; T147-D181 PolarHBondContact OG1-OD2 2.79Å; T147-I182 PolarHBondContact O-N 3.2Å
148	V	97	Very high	83.2	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.7	-175.7	-170.1	0	0	0	0	110.2	T150 I164 W169 K170 E171 F172 I182	V148-T150 HydrophobicContact CG1-CG2 4.21Å; V148-I164 HydrophobicContact CB-CD1 3.86Å; V148-I164 HydrophobicContact CB-CG1 4.44Å; V148-I164 HydrophobicContact CG1-CD1 3.86Å; V148-I164 HydrophobicContact CG2-CD1 4.28Å; V148-I164 HydrophobicContact CG2-CG1 4.32Å; V148-W169 HydrophobicContact CG2-CE3 3.95Å; V148-K170 PolarHBondContact N-O 3.17Å; V148-E171 CarbonylContact O-C 3.59Å; V148-F172 PolarHBondContact O-N 2.88Å; V148-I182 WeakPolarHBondContact CA-O 3.45Å; V148-I182 HydrophobicContact CG1-CB 4.32Å; V148-I182 HydrophobicContact CG1-CG2 4.26Å; V148-I182 HydrophobicContact CG2-CB 4.32Å
149	D	95.4	Very high	85.9	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.032	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.9	168.9	-164.2	-40.4	0	0	0	109.8	S151 G175 C180 I182 Y183 W184	D149-S151 VanDerWaalsContact OD1-CB 3.27Å; D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 3.2Å; D149-S151 PolarHBondContact OD1-OG 3.29Å; D149-G175 WeakPolarHBondContact OD2-CA 3.42Å; D149-C180 HydrophobicContact CB-CB 4.31Å; D149-I182 PolarHBondContact N-O 3.03Å; D149-Y183 HydrophobicContact CB-CD1 3.68Å; D149-Y183 HydrophobicContact CB-CE1 4.16Å; D149-Y183 HydrophobicContact CB-CG 4.41Å; D149-W184 PolarHBondContact O-N 3.29Å
150	T	96.1	Very high	88.4	Confident	2 Å²	2	68 Å²	68	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-2.1	-178.5	62.7	0	0	0	0	112.6	V148 K152 A153 L160 I164 E171 F172 H173	V148-T150 HydrophobicContact CG1-CG2 4.21Å; T150-K152 PolarHBondContact O-N 2.7Å; T150-A153 WeakPolarHBondContact O-CB 3.39Å; T150-A153 PolarHBondContact O-N 3.23Å; T150-L160 HydrophobicContact CG2-CD2 3.61Å; T150-L160 HydrophobicContact CG2-CG 4.09Å; T150-I164 HydrophobicContact CG2-CD1 3.55Å; T150-E171 WeakPolarHBondContact CB-OE1 3.3Å; T150-E171 HydrophobicContact CG2-CG 3.82Å; T150-E171 WeakPolarHBondContact CG2-OE1 3.35Å; T150-E171 WeakPolarHBondContact OG1-CG 3.06Å; T150-E171 PolarHBondContact OG1-OE1 3.37Å; T150-F172 PolarHBondContact N-O 2.94Å; T150-H173 WeakPolarHBondContact OG1-CA 3.3Å
151	S	93.3	Very high	90.7	Very high	54 Å²	54	65.7 Å²	65.7	38%	0.378	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-24.2	-171	64.4	0	0	0	0	115	D149 H173	D149-S151 VanDerWaalsContact OD1-CB 3.27Å; D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 3.2Å; D149-S151 PolarHBondContact OD1-OG 3.29Å; S151-H173 VanDerWaalsContact CA-O 3.29Å; S151-H173 WeakPolarHBondContact CA-O 3.5Å; S151-H173 VanDerWaalsContact CB-O 3.3Å; S151-H173 WeakPolarHBondContact CB-O 3.43Å
152	K	93.3	Very high	92.7	Very high	63 Å²	63	56.8 Å²	56.8	27%	0.274	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	12.4	178.7	-61.6	-166.3	178.4	-166.5	0	113.6	T150 K154 W184 H185 G186 D191	T150-K152 PolarHBondContact O-N 2.7Å; K152-K154 VanDerWaalsContact C-N 3.31Å; K152-K154 PolarHBondContact O-N 3.01Å; K152-W184 CarbonylContact C-O 3.59Å; K152-H185 HydrophobicContact CB-CB 4.39Å; K152-H185 CarbonylContact O-C 3.49Å; K152-H185 WeakPolarHBondContact O-CA 3.34Å; K152-G186 PolarHBondContact O-N 3.46Å; K152-D191 PolarHBondContact NZ-O 2.85Å
153	A	92.9	Very high	94.2	Very high	1 Å²	1	47 Å²	47	1%	0.008	22%	0.224	C	C	.	.			trans	-68	-21.4	-170	0	0	0	0	0	115.5	T150 T155 S156 L157 L160 W184	T150-A153 WeakPolarHBondContact O-CB 3.39Å; T150-A153 PolarHBondContact O-N 3.23Å; A153-T155 PolarHBondContact O-N 3.49Å; A153-S156 PolarHBondContact O-N 3.43Å; A153-S156 VanDerWaalsContact O-N 3.09Å; A153-L157 HydrophobicContact CB-CB 4.35Å; A153-L157 HydrophobicContact CB-CD1 4.16Å; A153-L160 HydrophobicContact CB-CD2 3.83Å; A153-W184 WeakPolarHBondContact CA-O 3.45Å; A153-W184 HydrophobicContact CB-CG 4.5Å; A153-W184 PolarHBondContact N-O 2.87Å
154	K	92.8	Very high	95.1	Very high	142 Å²	142	38.5 Å²	38.5	62%	0.617	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	48.1	-121.5	-179.8	-59.4	-174.1	-177.9	-174.4	0	111.7	K152 S156 L157 V187	K152-K154 VanDerWaalsContact C-N 3.31Å; K152-K154 PolarHBondContact O-N 3.01Å; K154-S156 PolarHBondContact O-N 3.44Å; K154-L157 WeakPolarHBondContact O-CB 3.4Å; K154-L157 PolarHBondContact O-N 2.9Å; K154-L157 VanDerWaalsContact O-N 3.08Å; K154-V187 HydrophobicContact CD-CG2 4.3Å
155	T	92.3	Very high	95.4	Very high	68 Å²	68	40.1 Å²	40.1	42%	0.417	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.9	-11.6	-177.2	55.4	0	0	0	0	114.8	A153 M466 R467	A153-T155 PolarHBondContact O-N 3.49Å; T155-M466 CarbonylContact O-C 3.23Å; T155-R467 VanDerWaalsContact O-CA 3.31Å; T155-R467 WeakPolarHBondContact O-CA 3.29Å; T155-R467 PolarHBondContact O-N 3.35Å
156	S	95.6	Very high	95.6	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.063	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-87.3	-9.5	175.8	-51.5	0	0	0	0	114.2	A153 K154 E158 A159 L160 W184	A153-S156 PolarHBondContact O-N 3.43Å; A153-S156 VanDerWaalsContact O-N 3.09Å; K154-S156 PolarHBondContact O-N 3.44Å; S156-E158 PolarHBondContact O-N 3.25Å; S156-A159 PolarHBondContact O-N 2.71Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 2.82Å; S156-W184 PolarHBondContact OG-NE1 3.18Å; S156-W184 VanDerWaalsContact OG-NE1 3.12Å
157	L	96.1	Very high	95.6	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.267	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-52.8	-158.9	-175.7	62.1	0	0	0	114.1	A153 K154 L160 K161	A153-L157 HydrophobicContact CB-CB 4.35Å; A153-L157 HydrophobicContact CB-CD1 4.16Å; K154-L157 WeakPolarHBondContact O-CB 3.4Å; K154-L157 PolarHBondContact O-N 2.9Å; K154-L157 VanDerWaalsContact O-N 3.08Å; L157-L160 WeakPolarHBondContact O-CB 3.17Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-K161 HydrophobicContact CG-CD 4.38Å; L157-K161 WeakPolarHBondContact O-CG 3.32Å; L157-K161 PolarHBondContact O-N 2.78Å
158	E	96.6	Very high	95.5	Very high	68 Å²	68	47.5 Å²	47.5	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-69	-43.7	-175.5	-52.8	-42.1	113.5	0	0	112.3	S156 L160 K161 L162 I468	S156-E158 PolarHBondContact O-N 3.25Å; E158-L160 PolarHBondContact O-N 3.03Å; E158-K161 PolarHBondContact O-N 3.28Å; E158-K161 IonicContact OE1-NZ 3.62Å; E158-K161 PolarHBondContact OE1-NZ 3.5Å; E158-K161 VanDerWaalsContact OE2-CD 3.26Å; E158-K161 WeakPolarHBondContact OE2-CD 3.31Å; E158-K161 IonicContact OE2-NZ 2.94Å; E158-K161 PolarHBondContact OE2-NZ 3.25Å; E158-L162 WeakPolarHBondContact O-CG 3.16Å; E158-L162 PolarHBondContact O-N 3.38Å; E158-I468 HydrophobicContact CB-CD1 4.23Å; E158-I468 HydrophobicContact CB-CG1 4.35Å
159	A	97.3	Very high	95.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-31.4	174.3	0	0	0	0	0	112.8	S156 S163 I468 V492 I495	S156-A159 PolarHBondContact O-N 2.71Å; A159-S163 WeakPolarHBondContact O-CB 3.23Å; A159-S163 PolarHBondContact O-N 2.84Å; A159-S163 PolarHBondContact O-OG 3.15Å; A159-I468 HydrophobicContact CB-CD1 4.21Å; A159-I468 HydrophobicContact CB-CG1 4.4Å; A159-I468 HydrophobicContact CB-CG2 3.77Å; A159-V492 HydrophobicContact CB-CG2 4.03Å; A159-I495 HydrophobicContact CB-CD1 3.85Å
160	L	97.7	Very high	95.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.6	-41.5	174.8	179.6	64.6	0	0	0	112.3	T150 A153 S156 L157 E158 S163 I164 W184 I495 L499	T150-L160 HydrophobicContact CG2-CD2 3.61Å; T150-L160 HydrophobicContact CG2-CG 4.09Å; A153-L160 HydrophobicContact CB-CD2 3.83Å; S156-L160 WeakPolarHBondContact O-CB 3.27Å; S156-L160 PolarHBondContact O-N 2.82Å; L157-L160 WeakPolarHBondContact O-CB 3.17Å; L157-L160 PolarHBondContact O-N 2.86Å; E158-L160 PolarHBondContact O-N 3.03Å; L160-S163 WeakPolarHBondContact O-CB 3.29Å; L160-S163 PolarHBondContact O-N 3.38Å; L160-I164 HydrophobicContact CD1-CD1 3.99Å; L160-I164 HydrophobicContact CD1-CG1 4.23Å; L160-I164 HydrophobicContact CG-CD1 3.81Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CB 3.35Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.02Å; L160-W184 HydrophobicContact CD1-CD2 3.88Å; L160-W184 HydrophobicContact CD1-CE3 3.88Å; L160-W184 HydrophobicContact CD1-CG 4.22Å; L160-W184 HydrophobicContact CD1-CZ3 4.35Å; L160-W184 HydrophobicContact CD2-CB 3.52Å; L160-W184 HydrophobicContact CD2-CD2 3.94Å; L160-W184 HydrophobicContact CD2-CG 3.4Å; L160-W184 HydrophobicContact CG-CG 4.43Å; L160-I495 HydrophobicContact CB-CG2 4.35Å; L160-I495 HydrophobicContact CD1-CG2 3.67Å; L160-L499 HydrophobicContact CD1-CD1 3.89Å
161	K	97.3	Very high	95.5	Very high	71 Å²	71	56.9 Å²	56.9	31%	0.309	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-47.6	172.4	-72.9	166.2	177.6	162.6	0	111.4	L157 E158 S163 I164 K165	L157-K161 HydrophobicContact CG-CD 4.38Å; L157-K161 WeakPolarHBondContact O-CG 3.32Å; L157-K161 PolarHBondContact O-N 2.78Å; E158-K161 PolarHBondContact O-N 3.28Å; E158-K161 IonicContact OE1-NZ 3.62Å; E158-K161 PolarHBondContact OE1-NZ 3.5Å; E158-K161 VanDerWaalsContact OE2-CD 3.26Å; E158-K161 WeakPolarHBondContact OE2-CD 3.31Å; E158-K161 IonicContact OE2-NZ 2.94Å; E158-K161 PolarHBondContact OE2-NZ 3.25Å; K161-S163 VanDerWaalsContact C-N 3.35Å; K161-S163 PolarHBondContact O-N 2.98Å; K161-I164 PolarHBondContact O-N 3.41Å; K161-K165 VanDerWaalsContact O-CB 3.29Å; K161-K165 WeakPolarHBondContact O-CB 3.25Å; K161-K165 PolarHBondContact O-N 3.05Å
162	L	96.9	Very high	95.6	Very high	56 Å²	56	56.1 Å²	56.1	29%	0.293	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-48.4	174.9	-67.3	176.5	0	0	0	111	E158 I164 K165 E166 I468 E488 V492	E158-L162 WeakPolarHBondContact O-CG 3.16Å; E158-L162 PolarHBondContact O-N 3.38Å; L162-I164 PolarHBondContact O-N 3.45Å; L162-K165 WeakPolarHBondContact O-CB 3.43Å; L162-K165 PolarHBondContact O-N 2.78Å; L162-E166 PolarHBondContact O-N 3.22Å; L162-I468 HydrophobicContact CD1-CD1 3.63Å; L162-E488 HydrophobicContact CD1-CG 4.4Å; L162-V492 HydrophobicContact CB-CG1 4.08Å; L162-V492 HydrophobicContact CB-CG2 4.34Å; L162-V492 HydrophobicContact CD1-CG2 3.88Å
163	S	97.4	Very high	95.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-43.5	177.1	-60.6	0	0	0	0	113.3	A159 L160 K161 L167 V492 I495 R496	A159-S163 WeakPolarHBondContact O-CB 3.23Å; A159-S163 PolarHBondContact O-N 2.84Å; A159-S163 PolarHBondContact O-OG 3.15Å; L160-S163 WeakPolarHBondContact O-CB 3.29Å; L160-S163 PolarHBondContact O-N 3.38Å; K161-S163 VanDerWaalsContact C-N 3.35Å; K161-S163 PolarHBondContact O-N 2.98Å; S163-L167 VanDerWaalsContact O-CG 3.23Å; S163-L167 WeakPolarHBondContact O-CG 3.15Å; S163-L167 PolarHBondContact O-N 3.34Å; S163-V492 PolarHBondContact OG-O 3.32Å; S163-I495 WeakPolarHBondContact OG-CG2 3.47Å; S163-R496 PolarHBondContact OG-N 2.92Å
164	I	96.9	Very high	95.4	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-67	-39.6	178.3	-71.1	166.6	0	0	0	110.8	V148 T150 L160 K161 L162 L167 Q168 W169 E171 L499	V148-I164 HydrophobicContact CB-CD1 3.86Å; V148-I164 HydrophobicContact CB-CG1 4.44Å; V148-I164 HydrophobicContact CG1-CD1 3.86Å; V148-I164 HydrophobicContact CG2-CD1 4.28Å; V148-I164 HydrophobicContact CG2-CG1 4.32Å; T150-I164 HydrophobicContact CG2-CD1 3.55Å; L160-I164 HydrophobicContact CD1-CD1 3.99Å; L160-I164 HydrophobicContact CD1-CG1 4.23Å; L160-I164 HydrophobicContact CG-CD1 3.81Å; L160-I164 HydrophobicContact CG-CG1 4.45Å; L160-I164 WeakPolarHBondContact O-CB 3.35Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.25Å; L160-I164 PolarHBondContact O-N 3.02Å; K161-I164 PolarHBondContact O-N 3.41Å; L162-I164 PolarHBondContact O-N 3.45Å; I164-L167 PolarHBondContact O-N 3.27Å; I164-Q168 PolarHBondContact O-N 3.1Å; I164-Q168 VanDerWaalsContact O-N 3.11Å; I164-W169 HydrophobicContact CG2-CB 3.97Å; I164-W169 VanDerWaalsContact CG2-O 3.31Å; I164-W169 WeakPolarHBondContact CG2-O 3.28Å; I164-W169 PolarHBondContact O-N 3.11Å; I164-E171 HydrophobicContact CD1-CB 4.45Å; I164-E171 HydrophobicContact CG2-CB 4.24Å; I164-L499 HydrophobicContact CG1-CD1 4.12Å
165	K	95.9	Very high	95.1	Very high	167 Å²	167	58.8 Å²	58.8	73%	0.726	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-46.1	176.9	-175.7	-175.5	177.9	-172.9	0	111.7	K161 L162 L167 Q168	K161-K165 VanDerWaalsContact O-CB 3.29Å; K161-K165 WeakPolarHBondContact O-CB 3.25Å; K161-K165 PolarHBondContact O-N 3.05Å; L162-K165 WeakPolarHBondContact O-CB 3.43Å; L162-K165 PolarHBondContact O-N 2.78Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 2.92Å; K165-Q168 PolarHBondContact O-N 3.01Å
166	E	95.1	Very high	94.7	Very high	75 Å²	75	60.1 Å²	60.1	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-39.5	173.3	-80.6	-175	-116.3	0	0	112.3	L162 Q168 V492 R496 L543	L162-E166 PolarHBondContact O-N 3.22Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 2.79Å; E166-V492 WeakPolarHBondContact OE1-CG1 3.41Å; E166-R496 IonicContact OE1-NH1 3.6Å; E166-R496 WeakPolarHBondContact OE2-CD 3.33Å; E166-R496 IonicContact OE2-CZ 2.73Å; E166-R496 IonicContact OE2-NE 2.84Å; E166-R496 IonicContact OE2-NH1 2.98Å; E166-R496 PolarHBondContact OE2-NH1 3.25Å; E166-L543 HydrophobicContact CB-CD2 4.24Å
167	L	94.5	Very high	94.1	Very high	20 Å²	20	72.2 Å²	72.2	11%	0.105	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.3	-179.4	-63.7	174.8	0	0	0	114.3	S163 I164 K165 W169 R496 L499 R500 L543	S163-L167 VanDerWaalsContact O-CG 3.23Å; S163-L167 WeakPolarHBondContact O-CG 3.15Å; S163-L167 PolarHBondContact O-N 3.34Å; I164-L167 PolarHBondContact O-N 3.27Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 2.92Å; L167-W169 HydrophobicContact CB-CB 4.38Å; L167-W169 HydrophobicContact CB-CD2 3.94Å; L167-W169 HydrophobicContact CB-CG 3.78Å; L167-W169 HydrophobicContact CD1-CD2 4.11Å; L167-W169 HydrophobicContact CD1-CE3 4.08Å; L167-W169 HydrophobicContact CD1-CH2 4.42Å; L167-W169 HydrophobicContact CD1-CZ2 4.4Å; L167-W169 HydrophobicContact CD1-CZ3 4.25Å; L167-W169 PolarHBondContact O-N 3.48Å; L167-W169 PolarHBondContact O-NE1 2.54Å; L167-R496 HydrophobicContact CD1-CG 4.23Å; L167-R496 HydrophobicContact CD2-CG 4.02Å; L167-R496 HydrophobicContact CG-CG 4.05Å; L167-L499 HydrophobicContact CD1-CB 3.56Å; L167-L499 HydrophobicContact CD1-CD1 4Å; L167-L499 HydrophobicContact CD1-CG 4.44Å; L167-R500 HydrophobicContact CD1-CG 4.32Å; L167-R500 HydrophobicContact CD2-CG 3.5Å; L167-R500 VanDerWaalsContact CD2-CG 3.5Å; L167-L543 HydrophobicContact CD2-CD1 3.75Å
168	Q	94.7	Very high	93.7	Very high	139 Å²	139	72.4 Å²	72.4	65%	0.65	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	33.6	-173.1	-53.5	-179.1	-12.7	0	0	112.7	I164 K165 E166 N539	I164-Q168 PolarHBondContact O-N 3.1Å; I164-Q168 VanDerWaalsContact O-N 3.11Å; K165-Q168 PolarHBondContact O-N 3.01Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 2.79Å; Q168-N539 PolarHBondContact OE1-ND2 2.85Å
169	W	95.5	Very high	93.3	Very high	40 Å²	40	71.7 Å²	71.7	15%	0.152	34%	0.344	C	S	.	.			trans	-92.3	166	-178.2	-73.5	8.6	0	0	0	112.1	V146 V148 I164 L167 I182 L499 D503	V146-W169 HydrophobicContact CB-CD2 3.59Å; V146-W169 HydrophobicContact CB-CE3 3.82Å; V146-W169 HydrophobicContact CB-CG 3.98Å; V146-W169 HydrophobicContact CB-CH2 4.27Å; V146-W169 HydrophobicContact CB-CZ2 4.11Å; V146-W169 HydrophobicContact CB-CZ3 4.14Å; V146-W169 HydrophobicContact CG1-CD2 4.11Å; V146-W169 HydrophobicContact CG1-CE3 3.78Å; V146-W169 HydrophobicContact CG1-CH2 4.1Å; V146-W169 HydrophobicContact CG1-CZ2 4.44Å; V146-W169 HydrophobicContact CG1-CZ3 3.77Å; V146-W169 HydrophobicContact CG2-CD2 4.07Å; V146-W169 HydrophobicContact CG2-CE3 4.48Å; V146-W169 HydrophobicContact CG2-CH2 4.11Å; V146-W169 HydrophobicContact CG2-CZ2 3.69Å; V146-W169 HydrophobicContact CG2-CZ3 4.49Å; V148-W169 HydrophobicContact CG2-CE3 3.95Å; I164-W169 HydrophobicContact CG2-CB 3.97Å; I164-W169 VanDerWaalsContact CG2-O 3.31Å; I164-W169 WeakPolarHBondContact CG2-O 3.28Å; I164-W169 PolarHBondContact O-N 3.11Å; L167-W169 HydrophobicContact CB-CB 4.38Å; L167-W169 HydrophobicContact CB-CD2 3.94Å; L167-W169 HydrophobicContact CB-CG 3.78Å; L167-W169 HydrophobicContact CD1-CD2 4.11Å; L167-W169 HydrophobicContact CD1-CE3 4.08Å; L167-W169 HydrophobicContact CD1-CH2 4.42Å; L167-W169 HydrophobicContact CD1-CZ2 4.4Å; L167-W169 HydrophobicContact CD1-CZ3 4.25Å; L167-W169 PolarHBondContact O-N 3.48Å; L167-W169 PolarHBondContact O-NE1 2.54Å; W169-I182 HydrophobicContact CH2-CD1 4.37Å; W169-I182 HydrophobicContact CZ3-CD1 3.69Å; W169-L499 HydrophobicContact CE3-CB 4.37Å; W169-L499 HydrophobicContact CH2-CB 4.22Å; W169-L499 VanDerWaalsContact CH2-O 3.25Å; W169-L499 WeakPolarHBondContact CH2-O 3.5Å; W169-L499 HydrophobicContact CZ3-CB 3.71Å; W169-L499 HydrophobicContact CZ3-CD2 4.19Å; W169-L499 HydrophobicContact CZ3-CG 4.38Å; W169-D503 HydrophobicContact CH2-CB 3.9Å; W169-D503 HydrophobicContact CZ2-CB 3.85Å
170	K	96.1	Very high	93.1	Very high	109 Å²	109	71.8 Å²	71.8	47%	0.474	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.1	-174.9	-173.3	166.7	-174.6	166.8	0	112.5	P145 V146 T147 V148 F172	P145-K170 HydrophobicContact CB-CB 4.35Å; P145-K170 HydrophobicContact CG-CB 4.29Å; V146-K170 PolarHBondContact O-N 3Å; T147-K170 WeakPolarHBondContact CA-O 3.37Å; T147-K170 HydrophobicContact CG2-CB 4.43Å; V148-K170 PolarHBondContact N-O 3.17Å; K170-F172 HydrophobicContact CD-CE2 4Å; K170-F172 HydrophobicContact CD-CZ 3.85Å; K170-F172 HydrophobicContact CG-CE2 3.82Å; K170-F172 HydrophobicContact CG-CZ 4.11Å
171	E	96.4	Very high	93	Very high	56 Å²	56	72.7 Å²	72.7	26%	0.262	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	148	171.4	176.7	164.6	-149.1	0	0	113	V148 T150 I164 H173	V148-E171 CarbonylContact O-C 3.59Å; T150-E171 WeakPolarHBondContact CB-OE1 3.3Å; T150-E171 HydrophobicContact CG2-CG 3.82Å; T150-E171 WeakPolarHBondContact CG2-OE1 3.35Å; T150-E171 WeakPolarHBondContact OG1-CG 3.06Å; T150-E171 PolarHBondContact OG1-OE1 3.37Å; I164-E171 HydrophobicContact CD1-CB 4.45Å; I164-E171 HydrophobicContact CG2-CB 4.24Å; E171-H173 HydrophobicContact CG-CB 4.36Å
172	F	95.1	Very high	92.9	Very high	38 Å²	38	69.3 Å²	69.3	17%	0.167	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	91.2	163.7	-70	-85.8	0	0	0	110.1	T147 V148 T150 K170 T174 G175 R176	T147-F172 HydrophobicContact CG2-CE2 3.8Å; V148-F172 PolarHBondContact O-N 2.88Å; T150-F172 PolarHBondContact N-O 2.94Å; K170-F172 HydrophobicContact CD-CE2 4Å; K170-F172 HydrophobicContact CD-CZ 3.85Å; K170-F172 HydrophobicContact CG-CE2 3.82Å; K170-F172 HydrophobicContact CG-CZ 4.11Å; F172-T174 PolarHBondContact O-N 3.4Å; F172-G175 PolarHBondContact O-N 2.85Å; F172-R176 HydrophobicContact CD1-CB 4.31Å; F172-R176 HydrophobicContact CD1-CG 4.22Å; F172-R176 HydrophobicContact CG-CG 4.29Å
173	H	93.1	Very high	92.9	Very high	131 Å²	131	67.2 Å²	67.2	61%	0.606	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.5	-174.2	58.6	80.5	0	0	0	114.9	T150 S151 E171	T150-H173 WeakPolarHBondContact OG1-CA 3.3Å; S151-H173 VanDerWaalsContact CA-O 3.29Å; S151-H173 WeakPolarHBondContact CA-O 3.5Å; S151-H173 VanDerWaalsContact CB-O 3.3Å; S151-H173 WeakPolarHBondContact CB-O 3.43Å; E171-H173 HydrophobicContact CG-CB 4.36Å
174	T	89.6	Confident	92.8	Very high	117 Å²	117	67.4 Å²	67.4	72%	0.718	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	6.5	171.9	37.8	0	0	0	0	113.1	F172	F172-T174 PolarHBondContact O-N 3.4Å
175	G	85.9	Confident	92.7	Very high	13 Å²	13	67.2 Å²	67.2	13%	0.134	32%	0.323	C	S	.	.			trans	64.1	-170.9	-167.5	0	0	0	0	0	112.4	D149 F172	D149-G175 WeakPolarHBondContact OD2-CA 3.42Å; F172-G175 PolarHBondContact O-N 2.85Å
176	R	85.2	Confident	92.4	Very high	96 Å²	96	59.6 Å²	59.6	36%	0.362	29%	0.292	S	S	.	.			trans	-161	163.4	177.4	59.2	172	-156.7	-179	1.1	113.1	T147 F172 A178 A179 C180	T147-R176 PolarHBondContact OG1-NH2 2.96Å; F172-R176 HydrophobicContact CD1-CB 4.31Å; F172-R176 HydrophobicContact CD1-CG 4.22Å; F172-R176 HydrophobicContact CG-CG 4.29Å; R176-A178 VanDerWaalsContact CG-O 3.32Å; R176-A178 WeakPolarHBondContact CG-O 3.35Å; R176-A178 PolarHBondContact NE-O 2.89Å; R176-A179 PolarHBondContact NH2-O 3.17Å; R176-C180 PolarHBondContact NE-SG 2.85Å; R176-C180 VanDerWaalsContact NE-SG 3.37Å
177	R	83.3	Confident	91.8	Very high	263 Å²	263	59 Å²	59	99%	0.992	29%	0.294	S	S	*	.	S	Bend	trans	-71	-23.9	176.6	-66.3	-174.5	-178.9	-178.7	0.5	114.8
178	A	86.6	Confident	91.3	Very high	56 Å²	56	59.5 Å²	59.5	46%	0.463	30%	0.298	S	S	.	.	S	Bend	trans	-92	139.2	-180	0	0	0	0	0	110.6	R176 C180	R176-A178 VanDerWaalsContact CG-O 3.32Å; R176-A178 WeakPolarHBondContact CG-O 3.35Å; R176-A178 PolarHBondContact NE-O 2.89Å; A178-C180 PolarHBondContact O-N 3.18Å
179	A	88.7	Confident	90.7	Very high	52 Å²	52	53.6 Å²	53.6	43%	0.43	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.4	128	-177.9	0	0	0	0	0	112.3	R176 Y183 S197	R176-A179 PolarHBondContact NH2-O 3.17Å; A179-Y183 WeakPolarHBondContact CA-OH 3.18Å; A179-S197 WeakPolarHBondContact CB-OG 3.46Å
180	C	93.1	Very high	89.7	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.02	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-82.4	158.5	169.7	-72.6	0	0	0	0	109.8	D149 R176 A178 Y183	D149-C180 HydrophobicContact CB-CB 4.31Å; R176-C180 PolarHBondContact NE-SG 2.85Å; R176-C180 VanDerWaalsContact NE-SG 3.37Å; A178-C180 PolarHBondContact O-N 3.18Å; C180-Y183 HydrophobicContact CB-CD2 4.5Å; C180-Y183 HydrophobicContact CB-CE1 4.12Å; C180-Y183 HydrophobicContact CB-CE2 4.06Å; C180-Y183 PolarHBondContact N-OH 2.96Å; C180-Y183 WeakPolarHBondContact O-CE2 3.36Å
181	D	95.4	Very high	88.3	Confident	19 Å²	19	56.4 Å²	56.4	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	-72.6	-39.7	174.6	-55.5	-72.6	0	0	0	110.2	R144 V146 T147 G198 Q199 P504	R144-D181 IonicContact CZ-OD1 3.05Å; R144-D181 VanDerWaalsContact CZ-OD1 3.32Å; R144-D181 IonicContact CZ-OD2 2.66Å; R144-D181 VanDerWaalsContact NH1-CG 3.32Å; R144-D181 IonicContact NH1-OD1 3.74Å; R144-D181 PolarHBondContact NH1-OD1 3.19Å; R144-D181 IonicContact NH1-OD2 3.8Å; R144-D181 PolarHBondContact NH1-OD2 3.33Å; R144-D181 IonicContact NH2-OD1 2.72Å; R144-D181 PolarHBondContact NH2-OD1 3.37Å; R144-D181 IonicContact NH2-OD2 2.72Å; V146-D181 HydrophobicContact CG1-CB 3.87Å; T147-D181 WeakPolarHBondContact CB-OD2 3.48Å; T147-D181 PolarHBondContact N-OD2 3.15Å; T147-D181 PolarHBondContact O-N 2.96Å; T147-D181 PolarHBondContact OG1-N 3.11Å; T147-D181 VanDerWaalsContact OG1-N 3.08Å; T147-D181 PolarHBondContact OG1-OD2 2.79Å; D181-G198 WeakPolarHBondContact O-CA 3.35Å; D181-Q199 PolarHBondContact O-N 2.83Å; D181-P504 HydrophobicContact CB-CG 4.21Å
182	I	96.2	Very high	86.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.5	177.6	-57.3	175.5	0	0	0	110.7	V146 T147 V148 D149 W169 Q199 F440 L499 M502	V146-I182 HydrophobicContact CG1-CD1 4.15Å; V146-I182 HydrophobicContact CG1-CG1 4.41Å; T147-I182 PolarHBondContact O-N 3.2Å; V148-I182 WeakPolarHBondContact CA-O 3.45Å; V148-I182 HydrophobicContact CG1-CB 4.32Å; V148-I182 HydrophobicContact CG1-CG2 4.26Å; V148-I182 HydrophobicContact CG2-CB 4.32Å; D149-I182 PolarHBondContact N-O 3.03Å; W169-I182 HydrophobicContact CH2-CD1 4.37Å; W169-I182 HydrophobicContact CZ3-CD1 3.69Å; I182-Q199 CarbonylContact C-O 3.59Å; I182-Q199 WeakPolarHBondContact CA-O 3.01Å; I182-F440 HydrophobicContact CG2-CE1 4.28Å; I182-F440 HydrophobicContact CG2-CZ 4.02Å; I182-L499 HydrophobicContact CD1-CD2 3.93Å; I182-L499 HydrophobicContact CG2-CD2 4.34Å; I182-M502 HydrophobicContact CD1-CB 4.29Å
183	Y	95.8	Very high	85.1	Confident	13 Å²	13	62.3 Å²	62.3	5%	0.051	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.9	173.6	-67	-91.4	0	0	0	110.3	D149 A179 C180 I195 Q199 N201	D149-Y183 HydrophobicContact CB-CD1 3.68Å; D149-Y183 HydrophobicContact CB-CE1 4.16Å; D149-Y183 HydrophobicContact CB-CG 4.41Å; A179-Y183 WeakPolarHBondContact CA-OH 3.18Å; C180-Y183 HydrophobicContact CB-CD2 4.5Å; C180-Y183 HydrophobicContact CB-CE1 4.12Å; C180-Y183 HydrophobicContact CB-CE2 4.06Å; C180-Y183 PolarHBondContact N-OH 2.96Å; C180-Y183 WeakPolarHBondContact O-CE2 3.36Å; Y183-I195 HydrophobicContact CD1-CD1 3.93Å; Y183-I195 HydrophobicContact CD1-CG1 4.25Å; Y183-I195 HydrophobicContact CD2-CD1 4.42Å; Y183-I195 HydrophobicContact CD2-CG2 3.98Å; Y183-I195 HydrophobicContact CE1-CD1 4.35Å; Y183-I195 HydrophobicContact CE1-CG1 4.16Å; Y183-I195 HydrophobicContact CE2-CG2 3.92Å; Y183-I195 HydrophobicContact CG-CD1 3.96Å; Y183-I195 HydrophobicContact CG-CG1 4.47Å; Y183-Q199 PolarHBondContact N-O 3.29Å; Y183-N201 PolarHBondContact O-N 3.47Å
184	W	96.1	Very high	83.8	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.4	179.8	-158.8	-76	0	0	0	112	D149 K152 A153 S156 L160 N201 F440 I442 I495 T498 L499	D149-W184 PolarHBondContact O-N 3.29Å; K152-W184 CarbonylContact C-O 3.59Å; A153-W184 WeakPolarHBondContact CA-O 3.45Å; A153-W184 HydrophobicContact CB-CG 4.5Å; A153-W184 PolarHBondContact N-O 2.87Å; S156-W184 PolarHBondContact OG-NE1 3.18Å; S156-W184 VanDerWaalsContact OG-NE1 3.12Å; L160-W184 HydrophobicContact CD1-CD2 3.88Å; L160-W184 HydrophobicContact CD1-CE3 3.88Å; L160-W184 HydrophobicContact CD1-CG 4.22Å; L160-W184 HydrophobicContact CD1-CZ3 4.35Å; L160-W184 HydrophobicContact CD2-CB 3.52Å; L160-W184 HydrophobicContact CD2-CD2 3.94Å; L160-W184 HydrophobicContact CD2-CG 3.4Å; L160-W184 HydrophobicContact CG-CG 4.43Å; W184-N201 VanDerWaalsContact CD1-ND2 3.27Å; W184-N201 HydrophobicContact CD2-CB 4.21Å; W184-N201 VanDerWaalsContact CE2-ND2 3.33Å; W184-N201 HydrophobicContact CE3-CB 4.19Å; W184-N201 PolarHBondContact NE1-ND2 2.85Å; W184-F440 HydrophobicContact CE3-CE2 4.5Å; W184-F440 HydrophobicContact CE3-CZ 4.43Å; W184-F440 HydrophobicContact CZ3-CE2 4.04Å; W184-F440 HydrophobicContact CZ3-CZ 4.35Å; W184-I442 HydrophobicContact CH2-CD1 3.64Å; W184-I442 HydrophobicContact CZ2-CD1 3.9Å; W184-I495 HydrophobicContact CH2-CB 4.25Å; W184-I495 HydrophobicContact CH2-CG1 4.03Å; W184-I495 HydrophobicContact CH2-CG2 3.72Å; W184-I495 HydrophobicContact CZ2-CB 4.48Å; W184-I495 HydrophobicContact CZ2-CD1 4.05Å; W184-I495 HydrophobicContact CZ2-CG1 3.85Å; W184-I495 HydrophobicContact CZ2-CG2 4.01Å; W184-I495 HydrophobicContact CZ3-CG2 4.18Å; W184-T498 HydrophobicContact CH2-CG2 4.33Å; W184-T498 HydrophobicContact CZ3-CG2 4.33Å; W184-L499 HydrophobicContact CE3-CD2 4.06Å; W184-L499 HydrophobicContact CZ3-CD2 3.87Å; W184-L499 HydrophobicContact CZ3-CG 4.29Å
185	H	93.9	Very high	83.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.4	-179	-72.5	-150.7	0	0	0	111.3	K152 S188 F189 N201 K202	K152-H185 HydrophobicContact CB-CB 4.39Å; K152-H185 CarbonylContact O-C 3.49Å; K152-H185 WeakPolarHBondContact O-CA 3.34Å; H185-S188 WeakPolarHBondContact CB-O 3.35Å; H185-S188 PolarHBondContact ND1-O 2.82Å; H185-F189 VanDerWaalsContact ND1-CA 3.35Å; H185-F189 WeakPolarHBondContact ND1-CA 3.44Å; H185-F189 VanDerWaalsContact ND1-CB 3.35Å; H185-F189 WeakPolarHBondContact ND1-CB 3.43Å; H185-N201 PolarHBondContact N-ND2 3.12Å; H185-N201 PolarHBondContact N-OD1 3.47Å; H185-N201 PolarHBondContact O-ND2 2.81Å; H185-N201 PolarHBondContact O-OD1 3.46Å; H185-N201 VanDerWaalsContact O-OD1 3.12Å; H185-K202 HydrophobicContact CB-CG 4.37Å; H185-K202 WeakPolarHBondContact O-CE 3.34Å
186	G	89.8	Confident	83.2	Confident	8 Å²	8	61 Å²	61	8%	0.082	31%	0.313	C	S	.	.	S	Bend	trans	-78.4	-37.9	-179.2	0	0	0	0	0	114.1	K152 K202 N463	K152-G186 PolarHBondContact O-N 3.46Å; G186-K202 PolarHBondContact O-NZ 2.95Å; G186-N463 PolarHBondContact O-OD1 3.15Å; G186-N463 VanDerWaalsContact O-OD1 3.12Å
187	V	83.9	Confident	83.3	Confident	63 Å²	63	58.8 Å²	58.8	38%	0.382	31%	0.312	S	S	.	.	S	Bend	trans	-134.1	-52.7	-169	-178.7	0	0	0	0	113.4	K154	K154-V187 HydrophobicContact CD-CG2 4.3Å
188	S	83.9	Confident	83.7	Confident	29 Å²	29	47.6 Å²	47.6	20%	0.203	28%	0.278	C	S	.	.			trans	-145	161.6	-171	171.5	0	0	0	0	109.8	H185 H190	H185-S188 WeakPolarHBondContact CB-O 3.35Å; H185-S188 PolarHBondContact ND1-O 2.82Å; S188-H190 PolarHBondContact OG-CD2 3.1Å; S188-H190 VanDerWaalsContact OG-CD2 3.23Å; S188-H190 PolarHBondContact OG-N 2.77Å
189	F	81.3	Confident	84.1	Confident	16 Å²	16	46.6 Å²	46.6	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-122.9	0.4	170.2	71.9	-78.5	0	0	0	114.7	H185 D191 N192 I195 V200 K202 P204 I430 P437	H185-F189 VanDerWaalsContact ND1-CA 3.35Å; H185-F189 WeakPolarHBondContact ND1-CA 3.44Å; H185-F189 VanDerWaalsContact ND1-CB 3.35Å; H185-F189 WeakPolarHBondContact ND1-CB 3.43Å; F189-D191 PolarHBondContact O-N 2.92Å; F189-N192 PolarHBondContact O-N 2.81Å; F189-I195 HydrophobicContact CB-CD1 4.38Å; F189-V200 HydrophobicContact CB-CG2 3.91Å; F189-V200 HydrophobicContact CD1-CG1 4.37Å; F189-V200 HydrophobicContact CD1-CG2 4.29Å; F189-V200 HydrophobicContact CD2-CG1 4.41Å; F189-V200 HydrophobicContact CE1-CG1 4.38Å; F189-V200 HydrophobicContact CE2-CG1 4.41Å; F189-V200 HydrophobicContact CG-CG1 4.39Å; F189-V200 HydrophobicContact CG-CG2 4.01Å; F189-V200 HydrophobicContact CZ-CG1 4.39Å; F189-K202 HydrophobicContact CD1-CB 3.86Å; F189-K202 HydrophobicContact CE1-CB 4.29Å; F189-P204 HydrophobicContact CE1-CG 4.17Å; F189-P204 HydrophobicContact CZ-CG 3.86Å; F189-I430 HydrophobicContact CE2-CD1 4.4Å; F189-I430 HydrophobicContact CZ-CD1 4.06Å; F189-P437 HydrophobicContact CE2-CG 4.2Å
190	H	75.4	Confident	84.4	Confident	97 Å²	97	44.1 Å²	44.1	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.6	173.9	-53.9	-63.8	0	0	0	111.8	S188 N192 D429	S188-H190 PolarHBondContact OG-CD2 3.1Å; S188-H190 VanDerWaalsContact OG-CD2 3.23Å; S188-H190 PolarHBondContact OG-N 2.77Å; H190-N192 PolarHBondContact O-N 3.32Å; H190-D429 IonicContact CE1-OD2 3.84Å; H190-D429 PolarHBondContact CE1-OD2 2.87Å; H190-D429 IonicContact NE2-OD2 3.65Å
191	D	64.7	Low	84.6	Confident	111 Å²	111	44.3 Å²	44.3	59%	0.594	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	11.7	170.2	-32	-19	0	0	0	114.2	K152 F189	K152-D191 PolarHBondContact NZ-O 2.85Å; F189-D191 PolarHBondContact O-N 2.92Å
192	N	63.6	Low	84.6	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.193	24%	0.243	C	C	.	.			trans	-148.1	68.2	-177.6	-158.8	3	0	0	0	111.8	F189 H190 N194 I195	F189-N192 PolarHBondContact O-N 2.81Å; H190-N192 PolarHBondContact O-N 3.32Å; N192-N194 PolarHBondContact O-N 2.76Å; N192-I195 HydrophobicContact CB-CD1 3.99Å; N192-I195 HydrophobicContact CB-CG1 4.12Å; N192-I195 PolarHBondContact O-N 2.96Å
193	E	62.6	Low	84.6	Confident	182 Å²	182	44.5 Å²	44.5	85%	0.85	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-14.5	-179.1	-58.1	-178.5	162.1	0	0	115
194	N	65.2	Low	84.4	Confident	132 Å²	132	43.9 Å²	43.9	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-3.8	-177.2	-62.1	-70.7	0	0	0	114.6	N192 V196	N192-N194 PolarHBondContact O-N 2.76Å; N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 2.76Å
195	I	81.8	Confident	84.3	Confident	14 Å²	14	44.3 Å²	44.3	7%	0.072	25%	0.247	C	C	.	.			trans	-77	86.1	176.7	-53.8	178.1	0	0	0	109.6	Y183 F189 N192 P437	Y183-I195 HydrophobicContact CD1-CD1 3.93Å; Y183-I195 HydrophobicContact CD1-CG1 4.25Å; Y183-I195 HydrophobicContact CD2-CD1 4.42Å; Y183-I195 HydrophobicContact CD2-CG2 3.98Å; Y183-I195 HydrophobicContact CE1-CD1 4.35Å; Y183-I195 HydrophobicContact CE1-CG1 4.16Å; Y183-I195 HydrophobicContact CE2-CG2 3.92Å; Y183-I195 HydrophobicContact CG-CD1 3.96Å; Y183-I195 HydrophobicContact CG-CG1 4.47Å; F189-I195 HydrophobicContact CB-CD1 4.38Å; N192-I195 HydrophobicContact CB-CD1 3.99Å; N192-I195 HydrophobicContact CB-CG1 4.12Å; N192-I195 PolarHBondContact O-N 2.96Å; I195-P437 HydrophobicContact CG2-CB 3.76Å; I195-P437 HydrophobicContact CG2-CG 3.83Å; I195-P437 WeakPolarHBondContact O-CD 3.44Å
196	V	80.8	Confident	84.3	Confident	88 Å²	88	44.5 Å²	44.5	53%	0.533	25%	0.248	S	C	.	.			trans	-99.1	-1.1	178.4	-61.4	0	0	0	0	114	N194 G436	N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 2.76Å; V196-G436 PolarHBondContact O-N 3.3Å
197	S	87.3	Confident	84.5	Confident	49 Å²	49	46.9 Å²	46.9	34%	0.343	26%	0.261	S	S	.	.	S	Bend	trans	-162.7	173.7	-178.2	62.1	0	0	0	0	110.9	A179	A179-S197 WeakPolarHBondContact CB-OG 3.46Å
198	G	92	Very high	84.8	Confident	28 Å²	28	47 Å²	47	29%	0.289	26%	0.258	S	S	.	.	S	Bend	trans	84.2	-161.7	-176	0	0	0	0	0	112.4	D181 P437 T438	D181-G198 WeakPolarHBondContact O-CA 3.35Å; G198-P437 VanDerWaalsContact O-CA 3.25Å; G198-P437 WeakPolarHBondContact O-CA 3.47Å; G198-T438 PolarHBondContact O-N 3.16Å
199	Q	95.1	Very high	85.2	Confident	35 Å²	35	46.7 Å²	46.7	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.7	-174.2	-41.5	-161.2	-89.5	0	0	110.9	D181 I182 Y183 T438 F440 M502	D181-Q199 PolarHBondContact O-N 2.83Å; I182-Q199 CarbonylContact C-O 3.59Å; I182-Q199 WeakPolarHBondContact CA-O 3.01Å; Y183-Q199 PolarHBondContact N-O 3.29Å; Q199-T438 VanDerWaalsContact CA-O 3.28Å; Q199-T438 WeakPolarHBondContact CA-O 3.35Å; Q199-T438 WeakPolarHBondContact CG-OG1 3.37Å; Q199-T438 PolarHBondContact NE2-OG1 3.4Å; Q199-F440 HydrophobicContact CB-CD1 4.3Å; Q199-F440 HydrophobicContact CB-CE1 4.02Å; Q199-M502 PolarHBondContact OE1-O 3.3Å; Q199-M502 VanDerWaalsContact OE1-O 3.08Å
200	V	95.4	Very high	85.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138	-176.6	67.2	0	0	0	0	112	F189 K202 P437 T438 C439 F440	F189-V200 HydrophobicContact CB-CG2 3.91Å; F189-V200 HydrophobicContact CD1-CG1 4.37Å; F189-V200 HydrophobicContact CD1-CG2 4.29Å; F189-V200 HydrophobicContact CD2-CG1 4.41Å; F189-V200 HydrophobicContact CE1-CG1 4.38Å; F189-V200 HydrophobicContact CE2-CG1 4.41Å; F189-V200 HydrophobicContact CG-CG1 4.39Å; F189-V200 HydrophobicContact CG-CG2 4.01Å; F189-V200 HydrophobicContact CZ-CG1 4.39Å; V200-K202 PolarHBondContact O-N 3.03Å; V200-P437 HydrophobicContact CB-CB 4.42Å; V200-P437 HydrophobicContact CG1-CB 3.96Å; V200-P437 HydrophobicContact CG1-CG 3.87Å; V200-T438 PolarHBondContact N-O 2.81Å; V200-C439 HydrophobicContact CG1-CB 4.49Å; V200-C439 WeakPolarHBondContact O-CA 3.45Å; V200-F440 VanDerWaalsContact C-CE1 3.49Å; V200-F440 VanDerWaalsContact O-CD1 3.29Å; V200-F440 WeakPolarHBondContact O-CD1 3.45Å; V200-F440 PolarHBondContact O-N 3.3Å
201	N	96.6	Very high	86.8	Confident	7 Å²	7	47 Å²	47	4%	0.037	25%	0.251	C	S	.	.	S	Bend	trans	-78.8	25.4	-173.8	79	-29.4	0	0	0	115.1	Y183 W184 H185 F440	Y183-N201 PolarHBondContact O-N 3.47Å; W184-N201 VanDerWaalsContact CD1-ND2 3.27Å; W184-N201 HydrophobicContact CD2-CB 4.21Å; W184-N201 VanDerWaalsContact CE2-ND2 3.33Å; W184-N201 HydrophobicContact CE3-CB 4.19Å; W184-N201 PolarHBondContact NE1-ND2 2.85Å; H185-N201 PolarHBondContact N-ND2 3.12Å; H185-N201 PolarHBondContact N-OD1 3.47Å; H185-N201 PolarHBondContact O-ND2 2.81Å; H185-N201 PolarHBondContact O-OD1 3.46Å; H185-N201 VanDerWaalsContact O-OD1 3.12Å; N201-F440 CarbonylContact C-O 3.57Å; N201-F440 WeakPolarHBondContact CA-O 3.33Å; N201-F440 HydrophobicContact CB-CD2 4.25Å; N201-F440 HydrophobicContact CB-CE1 4.27Å; N201-F440 HydrophobicContact CB-CE2 3.57Å; N201-F440 HydrophobicContact CB-CZ 3.6Å
202	K	95.9	Very high	88.2	Confident	15 Å²	15	42.8 Å²	42.8	7%	0.065	23%	0.227	C	C	.	.			trans	-142.8	139.3	179	-58.5	-63.6	161.1	-175.9	0	111	H185 G186 F189 V200 C439 F440 N463	H185-K202 HydrophobicContact CB-CG 4.37Å; H185-K202 WeakPolarHBondContact O-CE 3.34Å; G186-K202 PolarHBondContact O-NZ 2.95Å; F189-K202 HydrophobicContact CD1-CB 3.86Å; F189-K202 HydrophobicContact CE1-CB 4.29Å; V200-K202 PolarHBondContact O-N 3.03Å; K202-C439 VanDerWaalsContact O-CB 3.3Å; K202-C439 WeakPolarHBondContact O-CB 3.46Å; K202-C439 PolarHBondContact O-SG 2.96Å; K202-F440 PolarHBondContact N-O 3.49Å; K202-N463 PolarHBondContact NZ-OD1 3.38Å
203	F	95.3	Very high	89.6	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	22%	0.219	C	C	.	.			trans	-93.2	140.5	163.4	-69.3	-88	0	0	0	110.9	M206 I322 V325 L422 Y426 C439 Q441	F203-M206 HydrophobicContact CB-CB 4.19Å; F203-M206 HydrophobicContact CB-CE 4.29Å; F203-M206 HydrophobicContact CD2-CE 3.82Å; F203-M206 HydrophobicContact CG-CE 4.31Å; F203-M206 PolarHBondContact O-N 2.96Å; F203-I322 HydrophobicContact CE2-CB 3.9Å; F203-I322 HydrophobicContact CE2-CG2 3.68Å; F203-I322 HydrophobicContact CZ-CG2 3.91Å; F203-V325 HydrophobicContact CD1-CG1 4.13Å; F203-V325 HydrophobicContact CE1-CB 4.42Å; F203-V325 HydrophobicContact CE1-CG1 3.71Å; F203-V325 HydrophobicContact CE1-CG2 4.01Å; F203-V325 HydrophobicContact CZ-CG1 4.03Å; F203-L422 HydrophobicContact CB-CD1 4.04Å; F203-Y426 AromaticContact CD1-CD2 3.81Å; F203-Y426 HydrophobicContact CD1-CD2 3.81Å; F203-Y426 AromaticContact CD1-CE2 3.98Å; F203-Y426 HydrophobicContact CD1-CE2 3.98Å; F203-Y426 HydrophobicContact CE1-CD2 4.43Å; F203-Y426 HydrophobicContact CE1-CE2 4.28Å; F203-C439 HydrophobicContact CB-CB 4.44Å; F203-C439 HydrophobicContact CD1-CB 3.32Å; F203-C439 HydrophobicContact CD2-CB 4.33Å; F203-C439 HydrophobicContact CE1-CB 3.44Å; F203-C439 VanDerWaalsContact CE1-CB 3.44Å; F203-C439 WeakPolarHBondContact CE1-O 3.32Å; F203-C439 HydrophobicContact CE2-CB 4.43Å; F203-C439 HydrophobicContact CG-CB 3.78Å; F203-C439 HydrophobicContact CZ-CB 4.02Å; F203-C439 WeakPolarHBondContact CZ-O 3.49Å; F203-Q441 HydrophobicContact CD2-CB 3.64Å; F203-Q441 HydrophobicContact CE2-CB 3.94Å
204	P	92.7	Very high	91.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.2	140.5	156.5	-34.2	39.3	0	0	0	113.1	F189 M206 L422 H425 Y426 D429 I430	F189-P204 HydrophobicContact CE1-CG 4.17Å; F189-P204 HydrophobicContact CZ-CG 3.86Å; P204-M206 PolarHBondContact O-N 2.89Å; P204-L422 VanDerWaalsContact O-CD1 3.29Å; P204-L422 WeakPolarHBondContact O-CD1 3.39Å; P204-H425 HydrophobicContact CB-CB 4.31Å; P204-Y426 HydrophobicContact CG-CD2 4.3Å; P204-D429 HydrophobicContact CB-CB 3.94Å; P204-D429 WeakPolarHBondContact CB-OD2 3.46Å; P204-D429 HydrophobicContact CG-CB 3.8Å; P204-I430 HydrophobicContact CG-CD1 4.22Å; P204-I430 HydrophobicContact CG-CG1 4.28Å
205	G	92.1	Very high	92.6	Very high	12 Å²	12	27.7 Å²	27.7	12%	0.124	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-15.3	175	0	0	0	0	0	117.4	V207 E208 M209 H425	G205-V207 PolarHBondContact O-N 2.86Å; G205-V207 VanDerWaalsContact O-N 3.16Å; G205-E208 WeakPolarHBondContact O-CA 3.37Å; G205-E208 WeakPolarHBondContact O-CB 3.39Å; G205-E208 PolarHBondContact O-N 2.92Å; G205-M209 PolarHBondContact O-N 3.14Å; G205-H425 VanDerWaalsContact CA-CG 3.47Å
206	M	95.1	Very high	93.3	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-33.3	-175.1	-172.8	71.2	80.8	0	0	113.3	F203 P204 E208 L210 I322 L422 L443	F203-M206 HydrophobicContact CB-CB 4.19Å; F203-M206 HydrophobicContact CB-CE 4.29Å; F203-M206 HydrophobicContact CD2-CE 3.82Å; F203-M206 HydrophobicContact CG-CE 4.31Å; F203-M206 PolarHBondContact O-N 2.96Å; P204-M206 PolarHBondContact O-N 2.89Å; M206-E208 VanDerWaalsContact C-N 3.33Å; M206-L210 HydrophobicContact CG-CD1 3.96Å; M206-L210 HydrophobicContact CG-CG 4.42Å; M206-L210 WeakPolarHBondContact O-CB 3.4Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.35Å; M206-L210 HydrophobicContact SD-CD1 3.65Å; M206-L210 HydrophobicContact SD-CG 4Å; M206-I322 HydrophobicContact CE-CG1 4.5Å; M206-L422 HydrophobicContact CB-CD1 4Å; M206-L422 HydrophobicContact CE-CD1 3.94Å; M206-L422 HydrophobicContact CE-CD2 3.49Å; M206-L422 VanDerWaalsContact CE-CD2 3.49Å; M206-L422 HydrophobicContact CE-CG 4.39Å; M206-L422 HydrophobicContact SD-CD1 4.1Å; M206-L422 HydrophobicContact SD-CD2 4.27Å; M206-L443 HydrophobicContact CE-CD1 4.35Å; M206-L443 HydrophobicContact CE-CD2 4.33Å; M206-L443 HydrophobicContact CG-CD2 3.95Å; M206-L443 HydrophobicContact SD-CD1 4.3Å; M206-L443 HydrophobicContact SD-CD2 4.04Å
207	V	93.1	Very high	94.1	Very high	59 Å²	59	24 Å²	24	36%	0.358	13%	0.128	S	C	.	.	H	α-helix	trans	-69.1	-34.7	175.3	-176	0	0	0	0	111.4	G205 R211 N463	G205-V207 PolarHBondContact O-N 2.86Å; G205-V207 VanDerWaalsContact O-N 3.16Å; V207-R211 WeakPolarHBondContact O-CG 3.23Å; V207-N463 WeakPolarHBondContact CG2-ND2 3.46Å
208	E	91.3	Very high	94.5	Very high	66 Å²	66	22 Å²	22	31%	0.308	12%	0.115	S	C	.	.	H	α-helix	trans	-76.2	-42.3	-179.6	-163.4	65	-171.8	0	0	111.9	G205 M206 R211 N214	G205-E208 WeakPolarHBondContact O-CA 3.37Å; G205-E208 WeakPolarHBondContact O-CB 3.39Å; G205-E208 PolarHBondContact O-N 2.92Å; M206-E208 VanDerWaalsContact C-N 3.33Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 WeakPolarHBondContact O-CG 3.31Å; E208-R211 PolarHBondContact O-N 2.95Å; E208-R211 IonicContact OE1-CZ 2.74Å; E208-R211 IonicContact OE1-NE 3.31Å; E208-R211 IonicContact OE1-NH2 2.69Å; E208-R211 PolarHBondContact OE1-NH2 3.02Å; E208-R211 IonicContact OE2-CZ 3.72Å; E208-R211 IonicContact OE2-NE 3.88Å; E208-R211 PolarHBondContact OE2-NE 2.87Å; E208-R211 IonicContact OE2-NH2 2.9Å; E208-R211 PolarHBondContact OE2-NH2 2.89Å; E208-N214 PolarHBondContact O-ND2 3.01Å
209	M	92.9	Very high	94.8	Very high	22 Å²	22	20.6 Å²	20.6	11%	0.108	10%	0.101	C	C	.	.	H	α-helix	trans	-75.3	-25.9	-177.8	-63.4	-59	94.6	0	0	113.5	G205 R211 N214 L215 V418 D421 H425	G205-M209 PolarHBondContact O-N 3.14Å; M209-R211 VanDerWaalsContact C-N 3.34Å; M209-N214 HydrophobicContact CE-CB 4.3Å; M209-L215 PolarHBondContact O-N 3.07Å; M209-V418 HydrophobicContact CB-CG1 3.87Å; M209-D421 HydrophobicContact CG-CB 4.21Å; M209-D421 HydrophobicContact SD-CB 3.35Å; M209-D421 WeakPolarHBondContact SD-CB 3.38Å; M209-H425 WeakPolarHBondContact CE-NE2 3.33Å
210	L	95.4	Very high	94.9	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.099	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.4	174.8	-59.6	-174.1	0	0	0	113.6	M206 L215 V418 L443 V460	M206-L210 HydrophobicContact CG-CD1 3.96Å; M206-L210 HydrophobicContact CG-CG 4.42Å; M206-L210 WeakPolarHBondContact O-CB 3.4Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.35Å; M206-L210 HydrophobicContact SD-CD1 3.65Å; M206-L210 HydrophobicContact SD-CG 4Å; L210-L215 HydrophobicContact CD2-CD1 4.4Å; L210-V418 HydrophobicContact CD2-CG1 4.06Å; L210-V418 HydrophobicContact CD2-CG2 3.92Å; L210-L443 HydrophobicContact CD1-CD1 4.24Å; L210-L443 HydrophobicContact CD1-CD2 3.77Å; L210-V460 HydrophobicContact CD1-CB 4.2Å; L210-V460 HydrophobicContact CD1-CG1 3.8Å; L210-V460 HydrophobicContact CD2-CB 4.14Å; L210-V460 HydrophobicContact CD2-CG1 4.4Å
211	R	93.7	Very high	95	Very high	100 Å²	100	22.9 Å²	22.9	38%	0.377	11%	0.11	S	C	.	.	S	Bend	trans	-63.9	153.4	158.6	-61.8	-161.7	-159.6	-167.2	10.2	110.1	V207 E208 M209 I213 N214 L215 D269	V207-R211 WeakPolarHBondContact O-CG 3.23Å; E208-R211 WeakPolarHBondContact O-CB 3.39Å; E208-R211 WeakPolarHBondContact O-CG 3.31Å; E208-R211 PolarHBondContact O-N 2.95Å; E208-R211 IonicContact OE1-CZ 2.74Å; E208-R211 IonicContact OE1-NE 3.31Å; E208-R211 IonicContact OE1-NH2 2.69Å; E208-R211 PolarHBondContact OE1-NH2 3.02Å; E208-R211 IonicContact OE2-CZ 3.72Å; E208-R211 IonicContact OE2-NE 3.88Å; E208-R211 PolarHBondContact OE2-NE 2.87Å; E208-R211 IonicContact OE2-NH2 2.9Å; E208-R211 PolarHBondContact OE2-NH2 2.89Å; M209-R211 VanDerWaalsContact C-N 3.34Å; R211-I213 PolarHBondContact O-N 2.99Å; R211-N214 PolarHBondContact O-N 2.79Å; R211-L215 WeakPolarHBondContact O-CB 3.35Å; R211-L215 PolarHBondContact O-N 3.06Å; R211-D269 WeakPolarHBondContact CD-OD2 3.22Å; R211-D269 IonicContact NH1-OD2 3.38Å
212	K	94.1	Very high	95	Very high	22 Å²	22	22.6 Å²	22.6	10%	0.096	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-167.6	-54.8	-174.1	-168.2	72.5	0	111.9	S216 K267 P268 D269 G271 V298	K212-S216 VanDerWaalsContact O-CB 3.29Å; K212-S216 WeakPolarHBondContact O-CB 3.34Å; K212-S216 PolarHBondContact O-N 2.94Å; K212-S216 PolarHBondContact O-OG 3.05Å; K212-K267 HydrophobicContact CD-CB 3.66Å; K212-K267 HydrophobicContact CD-CD 4.18Å; K212-P268 PolarHBondContact NZ-O 2.85Å; K212-D269 PolarHBondContact N-OD1 3.43Å; K212-D269 PolarHBondContact NZ-O 3.35Å; K212-G271 PolarHBondContact NZ-O 3.4Å; K212-V298 HydrophobicContact CB-CG2 3.8Å
213	I	93.8	Very high	95.1	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-46.1	177.1	-70.8	176.4	0	0	0	111	R211 S216 R217 I238 D269 Q296 V298	R211-I213 PolarHBondContact O-N 2.99Å; I213-S216 PolarHBondContact O-N 3.21Å; I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.42Å; I213-R217 PolarHBondContact O-N 2.77Å; I213-I238 HydrophobicContact CD1-CG2 3.88Å; I213-I238 HydrophobicContact CG1-CG2 3.98Å; I213-I238 HydrophobicContact CG2-CD1 4.15Å; I213-I238 HydrophobicContact CG2-CG1 4.29Å; I213-I238 HydrophobicContact CG2-CG2 3.88Å; I213-D269 WeakPolarHBondContact CB-OD1 3.37Å; I213-D269 HydrophobicContact CD1-CB 3.75Å; I213-D269 HydrophobicContact CG1-CB 4.01Å; I213-D269 WeakPolarHBondContact CG1-OD1 3.44Å; I213-D269 PolarHBondContact N-OD1 2.9Å; I213-Q296 HydrophobicContact CD1-CB 3.71Å; I213-Q296 HydrophobicContact CD1-CG 4.11Å; I213-V298 HydrophobicContact CB-CG2 4.44Å; I213-V298 HydrophobicContact CG1-CG2 3.63Å
214	N	94.6	Very high	95.2	Very high	28 Å²	28	28.4 Å²	28.4	15%	0.15	14%	0.136	C	C	.	.	H	α-helix	trans	-72.2	-37.6	-177.3	-67.4	-26.4	0	0	0	111.9	E208 M209 R211 R217 A218	E208-N214 PolarHBondContact O-ND2 3.01Å; M209-N214 HydrophobicContact CE-CB 4.3Å; R211-N214 PolarHBondContact O-N 2.79Å; N214-R217 PolarHBondContact O-N 2.95Å; N214-R217 PolarHBondContact OD1-NH1 3.15Å; N214-A218 WeakPolarHBondContact O-CB 3.36Å; N214-A218 PolarHBondContact O-N 3.01Å
215	L	96.6	Very high	95.4	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-43.3	169.5	-179.2	62	0	0	0	111.5	M209 L210 R211 A218 V219 V418 L457 V460	M209-L215 PolarHBondContact O-N 3.07Å; L210-L215 HydrophobicContact CD2-CD1 4.4Å; R211-L215 WeakPolarHBondContact O-CB 3.35Å; R211-L215 PolarHBondContact O-N 3.06Å; L215-A218 PolarHBondContact O-N 2.91Å; L215-V219 HydrophobicContact CD1-CG2 4.1Å; L215-V219 WeakPolarHBondContact O-CB 3.41Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.39Å; L215-V418 HydrophobicContact CD1-CG2 3.87Å; L215-L457 HydrophobicContact CD2-CD2 4.49Å; L215-V460 HydrophobicContact CD2-CG2 4.26Å
216	S	96.8	Very high	95.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-43.7	176	-60.8	0	0	0	0	111.9	K212 I213 R220 Y233	K212-S216 VanDerWaalsContact O-CB 3.29Å; K212-S216 WeakPolarHBondContact O-CB 3.34Å; K212-S216 PolarHBondContact O-N 2.94Å; K212-S216 PolarHBondContact O-OG 3.05Å; I213-S216 PolarHBondContact O-N 3.21Å; S216-R220 VanDerWaalsContact O-CB 3.23Å; S216-R220 WeakPolarHBondContact O-CB 3.33Å; S216-R220 PolarHBondContact O-N 3.43Å; S216-Y233 PolarHBondContact OG-OH 3.11Å
217	R	95.9	Very high	95.8	Very high	21 Å²	21	32.5 Å²	32.5	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-53.1	176	-73.3	168.9	175.6	157.6	-0.2	111.1	I213 N214 V219 R220 T221 I238	I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.42Å; I213-R217 PolarHBondContact O-N 2.77Å; N214-R217 PolarHBondContact O-N 2.95Å; N214-R217 PolarHBondContact OD1-NH1 3.15Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.05Å; R217-R220 PolarHBondContact O-N 3.05Å; R217-R220 VanDerWaalsContact O-N 3.16Å; R217-T221 PolarHBondContact O-N 3.26Å; R217-T221 PolarHBondContact O-OG1 3Å; R217-I238 HydrophobicContact CG-CD1 3.66Å
218	A	97.1	Very high	95.9	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-42.2	179.9	0	0	0	0	0	112.8	N214 L215 M222	N214-A218 WeakPolarHBondContact O-CB 3.36Å; N214-A218 PolarHBondContact O-N 3.01Å; L215-A218 PolarHBondContact O-N 2.91Å; A218-M222 WeakPolarHBondContact O-CG 3.44Å; A218-M222 PolarHBondContact O-N 2.92Å
219	V	97.7	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.1	-38.4	176.2	174.7	0	0	0	0	111.8	L215 R217 T221 M222 Q223 Y230 Y233 A417	L215-V219 HydrophobicContact CD1-CG2 4.1Å; L215-V219 WeakPolarHBondContact O-CB 3.41Å; L215-V219 WeakPolarHBondContact O-CG2 3.28Å; L215-V219 PolarHBondContact O-N 3.39Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.05Å; V219-T221 PolarHBondContact O-N 3.42Å; V219-M222 CarbonylContact O-C 3.58Å; V219-M222 WeakPolarHBondContact O-CA 3.2Å; V219-M222 WeakPolarHBondContact O-CB 3.49Å; V219-M222 PolarHBondContact O-N 3.42Å; V219-Q223 HydrophobicContact CG1-CG 4.29Å; V219-Q223 WeakPolarHBondContact O-CG 3.36Å; V219-Q223 PolarHBondContact O-N 3.47Å; V219-Y230 HydrophobicContact CG1-CD1 4.28Å; V219-Y233 HydrophobicContact CB-CD1 4.12Å; V219-Y233 HydrophobicContact CB-CG 4.44Å; V219-Y233 HydrophobicContact CG1-CD1 3.68Å; V219-Y233 HydrophobicContact CG1-CG 3.79Å; V219-A417 HydrophobicContact CG2-CB 4.3Å
220	R	96.3	Very high	96.4	Very high	68 Å²	68	36.8 Å²	36.8	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-44.5	175.9	-171.3	-170.6	-66.9	168.2	-5.8	111.8	S216 R217 M222 Q223 E224 S236 E242	S216-R220 VanDerWaalsContact O-CB 3.23Å; S216-R220 WeakPolarHBondContact O-CB 3.33Å; S216-R220 PolarHBondContact O-N 3.43Å; R217-R220 PolarHBondContact O-N 3.05Å; R217-R220 VanDerWaalsContact O-N 3.16Å; R220-M222 PolarHBondContact O-N 3.48Å; R220-Q223 WeakPolarHBondContact O-CA 3.2Å; R220-Q223 WeakPolarHBondContact O-CB 3.28Å; R220-Q223 PolarHBondContact O-N 2.96Å; R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 2.8Å; R220-S236 PolarHBondContact NH2-O 3.32Å; R220-E242 IonicContact CZ-OE1 3.78Å; R220-E242 IonicContact CZ-OE2 3.32Å; R220-E242 IonicContact NH1-OE1 2.77Å; R220-E242 PolarHBondContact NH1-OE1 2.88Å; R220-E242 IonicContact NH1-OE2 2.7Å; R220-E242 IonicContact NH2-OE1 3.9Å; R220-E242 PolarHBondContact NH2-OE1 3.15Å; R220-E242 IonicContact NH2-OE2 3.32Å; R220-E242 PolarHBondContact NH2-OE2 3.14Å
221	T	97.6	Very high	96.5	Very high	14 Å²	14	40 Å²	40	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-33.9	173.3	-55.7	0	0	0	0	112.5	R217 V219 V565 V637 F641	R217-T221 PolarHBondContact O-N 3.26Å; R217-T221 PolarHBondContact O-OG1 3Å; V219-T221 PolarHBondContact O-N 3.42Å; T221-V565 HydrophobicContact CG2-CG2 4.09Å; T221-V637 HydrophobicContact CG2-CG1 3.76Å; T221-F641 HydrophobicContact CG2-CE2 4.2Å; T221-F641 HydrophobicContact CG2-CZ 3.88Å
222	M	98.3	Very high	96.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-77.7	-33.2	174.8	-65	-54.5	-65.9	0	0	112.8	A218 V219 R220 L225 F226 Y230 I416 A417 L562 V565	A218-M222 WeakPolarHBondContact O-CG 3.44Å; A218-M222 PolarHBondContact O-N 2.92Å; V219-M222 CarbonylContact O-C 3.58Å; V219-M222 WeakPolarHBondContact O-CA 3.2Å; V219-M222 WeakPolarHBondContact O-CB 3.49Å; V219-M222 PolarHBondContact O-N 3.42Å; R220-M222 PolarHBondContact O-N 3.48Å; M222-L225 PolarHBondContact O-N 2.8Å; M222-F226 HydrophobicContact CE-CD2 3.62Å; M222-F226 HydrophobicContact CE-CE2 3.63Å; M222-F226 CarbonylContact O-C 3.5Å; M222-F226 WeakPolarHBondContact O-CA 3.34Å; M222-F226 PolarHBondContact O-N 2.91Å; M222-Y230 HydrophobicContact CB-CD1 3.64Å; M222-Y230 HydrophobicContact CB-CD2 3.74Å; M222-Y230 HydrophobicContact CB-CE1 3.63Å; M222-Y230 HydrophobicContact CB-CE2 3.74Å; M222-Y230 HydrophobicContact CB-CG 3.69Å; M222-Y230 HydrophobicContact CE-CE2 3.6Å; M222-Y230 WeakPolarHBondContact CE-OH 3.48Å; M222-Y230 HydrophobicContact CG-CD1 4.44Å; M222-Y230 HydrophobicContact CG-CE1 3.96Å; M222-Y230 HydrophobicContact CG-CE2 4.3Å; M222-I416 HydrophobicContact CE-CG2 4.32Å; M222-A417 HydrophobicContact CG-CB 3.66Å; M222-L562 HydrophobicContact CE-CB 4.18Å; M222-L562 VanDerWaalsContact CE-O 3.3Å; M222-L562 WeakPolarHBondContact CE-O 3.44Å; M222-V565 HydrophobicContact SD-CB 4.33Å; M222-V565 HydrophobicContact SD-CG2 3.58Å; M222-V565 VanDerWaalsContact SD-CG2 3.58Å
223	Q	97.8	Very high	96.9	Very high	50 Å²	50	35.2 Å²	35.2	23%	0.234	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-34.5	172.2	-70.6	174.8	-30.8	0	0	112.2	V219 R220 L225 P227 Y230 Y233	V219-Q223 HydrophobicContact CG1-CG 4.29Å; V219-Q223 WeakPolarHBondContact O-CG 3.36Å; V219-Q223 PolarHBondContact O-N 3.47Å; R220-Q223 WeakPolarHBondContact O-CA 3.2Å; R220-Q223 WeakPolarHBondContact O-CB 3.28Å; R220-Q223 PolarHBondContact O-N 2.96Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.42Å; Q223-P227 VanDerWaalsContact O-CA 3.26Å; Q223-P227 WeakPolarHBondContact O-CA 3.14Å; Q223-P227 WeakPolarHBondContact O-CB 3.42Å; Q223-P227 WeakPolarHBondContact O-CD 3.28Å; Q223-Y230 PolarHBondContact NE2-O 2.98Å; Q223-Y233 PolarHBondContact NE2-O 3.19Å; Q223-Y233 VanDerWaalsContact NE2-O 3.12Å
224	E	96.7	Very high	97	Very high	95 Å²	95	35.5 Å²	35.5	44%	0.444	18%	0.176	S	C	.	.	H	α-helix	trans	-64.6	-33	173.6	-72.9	169.5	-149.2	0	0	113	R220 F641 L653	R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 2.8Å; E224-F641 WeakPolarHBondContact OE2-CE2 3.35Å; E224-L653 HydrophobicContact CB-CD2 4.28Å
225	L	97.5	Very high	97.1	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-93.1	-30.1	-180	-68.4	177.2	0	0	0	113.9	M222 Q223 V565 F641 L653 V657	M222-L225 PolarHBondContact O-N 2.8Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.42Å; L225-V565 HydrophobicContact CD1-CG2 3.63Å; L225-F641 HydrophobicContact CD1-CE1 4.2Å; L225-F641 HydrophobicContact CD1-CZ 3.75Å; L225-F641 HydrophobicContact CD2-CE1 4.09Å; L225-F641 HydrophobicContact CD2-CE2 4.38Å; L225-F641 HydrophobicContact CD2-CZ 3.8Å; L225-F641 HydrophobicContact CG-CE1 4.41Å; L225-F641 HydrophobicContact CG-CE2 4.38Å; L225-F641 HydrophobicContact CG-CZ 3.74Å; L225-L653 HydrophobicContact CD2-CG 4.25Å; L225-V657 HydrophobicContact CD2-CB 4.31Å; L225-V657 HydrophobicContact CD2-CG1 4.43Å; L225-V657 HydrophobicContact CD2-CG2 4.15Å
226	F	97.8	Very high	97	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.048	20%	0.196	C	C	.	.			trans	-147.1	65.5	-170.6	-48.1	-86.4	0	0	0	110.9	M222 E228 E229 Y230 H561 L562 L564 R654	M222-F226 HydrophobicContact CE-CD2 3.62Å; M222-F226 HydrophobicContact CE-CE2 3.63Å; M222-F226 CarbonylContact O-C 3.5Å; M222-F226 WeakPolarHBondContact O-CA 3.34Å; M222-F226 PolarHBondContact O-N 2.91Å; F226-E228 PolarHBondContact O-N 3.33Å; F226-E229 HydrophobicContact CB-CB 3.88Å; F226-E229 HydrophobicContact CB-CG 4.22Å; F226-E229 PolarHBondContact O-N 2.87Å; F226-E229 VanDerWaalsContact O-N 3.11Å; F226-Y230 HydrophobicContact CB-CD2 4.12Å; F226-Y230 PolarHBondContact O-N 3.43Å; F226-Y230 VanDerWaalsContact O-N 3.11Å; F226-H561 AromaticContact CE1-CD2 3.93Å; F226-H561 WeakPolarHBondContact CZ-O 3.26Å; F226-L562 HydrophobicContact CB-CD2 4.1Å; F226-L562 HydrophobicContact CD1-CD2 3.58Å; F226-L562 HydrophobicContact CD2-CD2 3.87Å; F226-L562 HydrophobicContact CE1-CD2 3.83Å; F226-L562 HydrophobicContact CE2-CD2 4.12Å; F226-L562 HydrophobicContact CG-CD2 3.6Å; F226-L562 HydrophobicContact CZ-CD2 4.09Å; F226-L564 HydrophobicContact CE1-CD1 4.44Å; F226-L564 HydrophobicContact CE2-CD1 4.44Å; F226-L564 HydrophobicContact CZ-CD1 3.67Å; F226-L564 HydrophobicContact CZ-CG 3.98Å; F226-R654 HydrophobicContact CE1-CG 4.37Å
227	P	96.6	Very high	97	Very high	85 Å²	85	41.5 Å²	41.5	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-43.6	-170.2	21.3	-32.7	0	0	0	113.3	Q223 E229 Y230 D231	Q223-P227 VanDerWaalsContact O-CA 3.26Å; Q223-P227 WeakPolarHBondContact O-CA 3.14Å; Q223-P227 WeakPolarHBondContact O-CB 3.42Å; Q223-P227 WeakPolarHBondContact O-CD 3.28Å; P227-E229 VanDerWaalsContact C-N 3.32Å; P227-E229 PolarHBondContact O-N 2.96Å; P227-Y230 PolarHBondContact O-N 2.97Å; P227-D231 PolarHBondContact O-N 3.2Å
228	E	95.7	Very high	96.8	Very high	172 Å²	172	40.6 Å²	40.6	80%	0.804	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.8	177.6	-64.3	172.4	-164.8	0	0	112.6	F226	F226-E228 PolarHBondContact O-N 3.33Å
229	E	97.5	Very high	96.5	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.304	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-30	-179.4	-68.6	-74.4	164.3	0	0	111.9	F226 P227 F232 K413 L562	F226-E229 HydrophobicContact CB-CB 3.88Å; F226-E229 HydrophobicContact CB-CG 4.22Å; F226-E229 PolarHBondContact O-N 2.87Å; F226-E229 VanDerWaalsContact O-N 3.11Å; P227-E229 VanDerWaalsContact C-N 3.32Å; P227-E229 PolarHBondContact O-N 2.96Å; E229-F232 WeakPolarHBondContact O-CD1 3.14Å; E229-K413 WeakPolarHBondContact O-CD 3.38Å; E229-K413 WeakPolarHBondContact O-CE 3.33Å; E229-K413 PolarHBondContact O-NZ 2.9Å; E229-K413 WeakPolarHBondContact OE2-CE 3.4Å; E229-K413 IonicContact OE2-NZ 2.7Å; E229-K413 PolarHBondContact OE2-NZ 2.89Å; E229-L562 HydrophobicContact CB-CD2 4.21Å; E229-L562 HydrophobicContact CG-CD2 4.12Å
230	Y	98.1	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	22.8	-176.1	-76.3	-97.7	0	0	0	114	V219 M222 Q223 F226 P227 F232 K413 A417 L562	V219-Y230 HydrophobicContact CG1-CD1 4.28Å; M222-Y230 HydrophobicContact CB-CD1 3.64Å; M222-Y230 HydrophobicContact CB-CD2 3.74Å; M222-Y230 HydrophobicContact CB-CE1 3.63Å; M222-Y230 HydrophobicContact CB-CE2 3.74Å; M222-Y230 HydrophobicContact CB-CG 3.69Å; M222-Y230 HydrophobicContact CE-CE2 3.6Å; M222-Y230 WeakPolarHBondContact CE-OH 3.48Å; M222-Y230 HydrophobicContact CG-CD1 4.44Å; M222-Y230 HydrophobicContact CG-CE1 3.96Å; M222-Y230 HydrophobicContact CG-CE2 4.3Å; Q223-Y230 PolarHBondContact NE2-O 2.98Å; F226-Y230 HydrophobicContact CB-CD2 4.12Å; F226-Y230 PolarHBondContact O-N 3.43Å; F226-Y230 VanDerWaalsContact O-N 3.11Å; P227-Y230 PolarHBondContact O-N 2.97Å; Y230-F232 AromaticContact CD1-CE1 3.54Å; Y230-F232 HydrophobicContact CD1-CE1 3.54Å; Y230-F232 AromaticContact CD1-CZ 3.54Å; Y230-F232 HydrophobicContact CD1-CZ 3.54Å; Y230-F232 HydrophobicContact CE1-CE1 4.02Å; Y230-F232 AromaticContact CE1-CZ 3.83Å; Y230-F232 HydrophobicContact CE1-CZ 3.83Å; Y230-F232 AromaticContact CG-CE1 3.97Å; Y230-F232 HydrophobicContact CG-CE1 3.97Å; Y230-F232 HydrophobicContact CG-CZ 4.4Å; Y230-F232 PolarHBondContact O-N 3.48Å; Y230-F232 VanDerWaalsContact O-N 3.09Å; Y230-K413 HydrophobicContact CE1-CB 3.83Å; Y230-K413 VanDerWaalsContact CE1-O 3.31Å; Y230-K413 WeakPolarHBondContact CE1-O 3.28Å; Y230-K413 HydrophobicContact CE2-CB 4.42Å; Y230-K413 WeakPolarHBondContact OH-CA 3.32Å; Y230-K413 PolarHBondContact OH-O 3.25Å; Y230-A417 HydrophobicContact CE1-CB 4.08Å; Y230-L562 HydrophobicContact CE2-CD1 4.05Å; Y230-L562 HydrophobicContact CE2-CD2 4.12Å
231	D	96.6	Very high	95.7	Very high	88 Å²	88	43.2 Å²	43.2	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.6	177.5	88.8	-19.3	0	0	0	114.4	P227 K454	P227-D231 PolarHBondContact O-N 3.2Å; D231-K454 PolarHBondContact O-NZ 3.11Å; D231-K454 VanDerWaalsContact OD1-CE 3.28Å; D231-K454 WeakPolarHBondContact OD1-CE 3.28Å; D231-K454 IonicContact OD1-NZ 3.4Å; D231-K454 PolarHBondContact OD1-NZ 3.34Å; D231-K454 IonicContact OD2-NZ 2.73Å; D231-K454 PolarHBondContact OD2-NZ 3.01Å
232	F	97.9	Very high	95.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.035	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	1.2	-177.6	66.3	-97.1	0	0	0	114.2	E229 Y230 L410 K413 S414 V456 L457	E229-F232 WeakPolarHBondContact O-CD1 3.14Å; Y230-F232 AromaticContact CD1-CE1 3.54Å; Y230-F232 HydrophobicContact CD1-CE1 3.54Å; Y230-F232 AromaticContact CD1-CZ 3.54Å; Y230-F232 HydrophobicContact CD1-CZ 3.54Å; Y230-F232 HydrophobicContact CE1-CE1 4.02Å; Y230-F232 AromaticContact CE1-CZ 3.83Å; Y230-F232 HydrophobicContact CE1-CZ 3.83Å; Y230-F232 AromaticContact CG-CE1 3.97Å; Y230-F232 HydrophobicContact CG-CE1 3.97Å; Y230-F232 HydrophobicContact CG-CZ 4.4Å; Y230-F232 PolarHBondContact O-N 3.48Å; Y230-F232 VanDerWaalsContact O-N 3.09Å; F232-L410 HydrophobicContact CB-CD1 4.25Å; F232-L410 HydrophobicContact CB-CG 4.47Å; F232-L410 HydrophobicContact CD2-CB 4.49Å; F232-L410 HydrophobicContact CD2-CD1 4.06Å; F232-L410 HydrophobicContact CD2-CG 3.65Å; F232-L410 HydrophobicContact CE2-CG 4.08Å; F232-L410 HydrophobicContact CG-CD1 4.38Å; F232-L410 HydrophobicContact CG-CG 4.1Å; F232-K413 HydrophobicContact CD1-CD 4.18Å; F232-K413 HydrophobicContact CE1-CB 3.62Å; F232-K413 HydrophobicContact CE1-CD 3.66Å; F232-K413 HydrophobicContact CE1-CG 4.31Å; F232-K413 HydrophobicContact CZ-CB 3.77Å; F232-S414 WeakPolarHBondContact CE2-OG 3.29Å; F232-V456 CarbonylContact O-C 2.79Å; F232-V456 VanDerWaalsContact O-CA 3.3Å; F232-V456 WeakPolarHBondContact O-CA 3.46Å; F232-V456 WeakPolarHBondContact O-CG1 3.37Å; F232-L457 HydrophobicContact CD2-CB 4.02Å; F232-L457 HydrophobicContact CE2-CB 4.31Å; F232-L457 HydrophobicContact CE2-CD2 4.28Å; F232-L457 PolarHBondContact O-N 3.01Å
233	Y	98	Very high	95	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	23%	0.23	C	C	.	.	S	Bend	trans	-121.3	125.3	177.7	-168.4	-108.8	0	0	0	110.2	S216 V219 Q223 S236 Q300 L457	S216-Y233 PolarHBondContact OG-OH 3.11Å; V219-Y233 HydrophobicContact CB-CD1 4.12Å; V219-Y233 HydrophobicContact CB-CG 4.44Å; V219-Y233 HydrophobicContact CG1-CD1 3.68Å; V219-Y233 HydrophobicContact CG1-CG 3.79Å; Q223-Y233 PolarHBondContact NE2-O 3.19Å; Q223-Y233 VanDerWaalsContact NE2-O 3.12Å; Y233-S236 WeakPolarHBondContact CE1-OG 3.43Å; Y233-Q300 VanDerWaalsContact CZ-NE2 3.31Å; Y233-Q300 PolarHBondContact OH-NE2 3.46Å; Y233-L457 HydrophobicContact CD2-CB 4.11Å; Y233-L457 HydrophobicContact CD2-CD2 4.07Å; Y233-L457 HydrophobicContact CD2-CG 4.21Å; Y233-L457 WeakPolarHBondContact CD2-O 3.38Å; Y233-L457 HydrophobicContact CE2-CD2 4.37Å; Y233-L457 HydrophobicContact CE2-CG 4.49Å
234	P	96.7	Very high	94.7	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.065	25%	0.249	C	C	.	.			trans	-68.5	154.4	-174	-11	25.2	0	0	0	112.1	S236 Q300 E301 I303 V456	P234-S236 PolarHBondContact O-N 3.39Å; P234-S236 PolarHBondContact O-OG 3.24Å; P234-Q300 HydrophobicContact CB-CG 3.77Å; P234-Q300 HydrophobicContact CG-CG 4.11Å; P234-E301 HydrophobicContact CB-CB 3.94Å; P234-I303 HydrophobicContact CB-CD1 4.42Å; P234-I303 HydrophobicContact CG-CD1 4.03Å; P234-I303 HydrophobicContact CG-CG1 4.29Å; P234-V456 HydrophobicContact CG-CG1 3.81Å
235	R	95.3	Very high	94.5	Very high	138 Å²	138	52.6 Å²	52.6	52%	0.521	25%	0.253	S	S	.	.			trans	-59.1	137.3	179.6	-159.1	-173.2	-57	-156.9	-1.2	110	W237 E249 Q300 E301	R235-W237 HydrophobicContact CB-CH2 4.17Å; R235-W237 HydrophobicContact CB-CZ3 4.36Å; R235-W237 HydrophobicContact CG-CH2 4.05Å; R235-W237 HydrophobicContact CG-CZ2 4.07Å; R235-W237 HydrophobicContact CG-CZ3 4.45Å; R235-E249 IonicContact NH1-OE2 3.14Å; R235-Q300 CarbonylContact O-C 3.47Å; R235-Q300 WeakPolarHBondContact O-CA 3.49Å; R235-E301 HydrophobicContact CB-CG 3.89Å; R235-E301 WeakPolarHBondContact CB-OE1 3.49Å; R235-E301 VanDerWaalsContact CB-OE2 3.26Å; R235-E301 WeakPolarHBondContact CB-OE2 3.38Å; R235-E301 PolarHBondContact N-OE2 2.92Å; R235-E301 IonicContact NE-OE1 3.31Å; R235-E301 PolarHBondContact NE-OE1 3.4Å; R235-E301 PolarHBondContact O-N 3.16Å
236	S	96	Very high	94.3	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.4	-166.3	-60	0	0	0	0	110.5	R220 Y233 P234 V299 Q300	R220-S236 PolarHBondContact NH2-O 3.32Å; Y233-S236 WeakPolarHBondContact CE1-OG 3.43Å; P234-S236 PolarHBondContact O-N 3.39Å; P234-S236 PolarHBondContact O-OG 3.24Å; S236-V299 CarbonylContact C-O 3.59Å; S236-V299 VanDerWaalsContact CA-O 3.32Å; S236-V299 WeakPolarHBondContact CA-O 3.49Å; S236-Q300 WeakPolarHBondContact OG-CG 3.34Å; S236-Q300 PolarHBondContact OG-NE2 3.37Å
237	W	95.1	Very high	94	Very high	11 Å²	11	52.8 Å²	52.8	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142	177	-57.1	-99.5	0	0	0	110.1	R235 E242 F246 E249 I250 F264 V298 V299 E301	R235-W237 HydrophobicContact CB-CH2 4.17Å; R235-W237 HydrophobicContact CB-CZ3 4.36Å; R235-W237 HydrophobicContact CG-CH2 4.05Å; R235-W237 HydrophobicContact CG-CZ2 4.07Å; R235-W237 HydrophobicContact CG-CZ3 4.45Å; W237-E242 WeakPolarHBondContact CA-OE2 3.4Å; W237-E242 HydrophobicContact CB-CB 4.4Å; W237-F246 HydrophobicContact CB-CB 4.18Å; W237-F246 HydrophobicContact CD2-CB 4.31Å; W237-F246 AromaticContact CD2-CD2 3.67Å; W237-F246 HydrophobicContact CD2-CD2 3.67Å; W237-F246 HydrophobicContact CD2-CG 4.39Å; W237-F246 AromaticContact CE2-CD2 3.92Å; W237-F246 AromaticContact CE3-CD2 3.8Å; W237-F246 HydrophobicContact CE3-CD2 3.8Å; W237-F246 HydrophobicContact CE3-CE2 4.2Å; W237-F246 HydrophobicContact CG-CB 3.86Å; W237-F246 HydrophobicContact CG-CD2 4.09Å; W237-F246 HydrophobicContact CG-CG 4.35Å; W237-F246 HydrophobicContact CH2-CD2 4.37Å; W237-F246 HydrophobicContact CZ2-CD2 4.24Å; W237-F246 HydrophobicContact CZ3-CD2 4.17Å; W237-F246 HydrophobicContact CZ3-CE2 4.27Å; W237-E249 WeakPolarHBondContact CZ2-OE2 3.45Å; W237-E249 PolarHBondContact NE1-OE1 3.36Å; W237-E249 PolarHBondContact NE1-OE2 3.21Å; W237-I250 HydrophobicContact CH2-CD1 4.44Å; W237-I250 HydrophobicContact CZ2-CD1 4.48Å; W237-F264 HydrophobicContact CH2-CD1 4.4Å; W237-F264 AromaticContact CH2-CE1 3.85Å; W237-F264 HydrophobicContact CH2-CE1 3.85Å; W237-F264 AromaticContact CZ3-CD1 3.87Å; W237-F264 HydrophobicContact CZ3-CD1 3.87Å; W237-F264 AromaticContact CZ3-CE1 3.79Å; W237-F264 HydrophobicContact CZ3-CE1 3.79Å; W237-V298 WeakPolarHBondContact O-CA 3.09Å; W237-V299 HydrophobicContact CE3-CG1 4.5Å; W237-V299 PolarHBondContact N-O 3.33Å; W237-V299 PolarHBondContact O-N 3.29Å; W237-E301 HydrophobicContact CH2-CG 4.22Å; W237-E301 HydrophobicContact CZ3-CG 4.18Å
238	I	93.3	Very high	93.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.6	-173	-62.7	159.5	0	0	0	109.1	I213 R217 E241 E242	I213-I238 HydrophobicContact CD1-CG2 3.88Å; I213-I238 HydrophobicContact CG1-CG2 3.98Å; I213-I238 HydrophobicContact CG2-CD1 4.15Å; I213-I238 HydrophobicContact CG2-CG1 4.29Å; I213-I238 HydrophobicContact CG2-CG2 3.88Å; R217-I238 HydrophobicContact CG-CD1 3.66Å; I238-E241 PolarHBondContact O-N 3.29Å; I238-E242 HydrophobicContact CB-CG 4.3Å; I238-E242 PolarHBondContact N-OE2 3.12Å; I238-E242 VanDerWaalsContact O-CB 3.25Å; I238-E242 WeakPolarHBondContact O-CB 3.43Å; I238-E242 WeakPolarHBondContact O-CG 3.13Å; I238-E242 PolarHBondContact O-N 2.82Å
239	L	90.9	Very high	93.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.2	-179.2	-60.9	-169	0	0	0	111.8	Y243 L286 Q296 A297 V299	L239-Y243 HydrophobicContact CD2-CD2 4.31Å; L239-L286 HydrophobicContact CD1-CD1 3.79Å; L239-L286 HydrophobicContact CD1-CD2 3.79Å; L239-L286 HydrophobicContact CD1-CG 4.44Å; L239-Q296 VanDerWaalsContact O-CA 3.32Å; L239-Q296 WeakPolarHBondContact O-CA 3.35Å; L239-A297 PolarHBondContact N-O 2.81Å; L239-A297 PolarHBondContact O-N 3.12Å; L239-A297 VanDerWaalsContact O-N 3.14Å; L239-V299 HydrophobicContact CD1-CG2 3.45Å; L239-V299 VanDerWaalsContact CD1-CG2 3.45Å; L239-V299 HydrophobicContact CG-CG2 3.87Å
240	P	88.6	Confident	93.3	Very high	57 Å²	57	43 Å²	43	37%	0.37	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.8	-11.6	6.3	32.5	-37.5	0	0	0	116.2	E242 Y243 V289 A294	P240-E242 PolarHBondContact O-N 3.17Å; P240-Y243 WeakPolarHBondContact O-CB 3.25Å; P240-Y243 PolarHBondContact O-N 3.42Å; P240-V289 HydrophobicContact CB-CG1 4.3Å; P240-A294 HydrophobicContact CG-CB 4.14Å
241	E	87	Confident	92.9	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.4	-162.8	-62.4	89.4	156.9	0	0	114.4	I238 Q296 A622	I238-E241 PolarHBondContact O-N 3.29Å; E241-Q296 PolarHBondContact OE1-NE2 2.89Å; E241-A622 HydrophobicContact CG-CB 4.21Å
242	E	91.4	Very high	92.5	Very high	27 Å²	27	49.9 Å²	49.9	13%	0.126	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	9	-173.1	-54.8	178.6	166.1	0	0	112.5	R220 W237 I238 P240 Q244 Q245 F246	R220-E242 IonicContact CZ-OE1 3.78Å; R220-E242 IonicContact CZ-OE2 3.32Å; R220-E242 IonicContact NH1-OE1 2.77Å; R220-E242 PolarHBondContact NH1-OE1 2.88Å; R220-E242 IonicContact NH1-OE2 2.7Å; R220-E242 IonicContact NH2-OE1 3.9Å; R220-E242 PolarHBondContact NH2-OE1 3.15Å; R220-E242 IonicContact NH2-OE2 3.32Å; R220-E242 PolarHBondContact NH2-OE2 3.14Å; W237-E242 WeakPolarHBondContact CA-OE2 3.4Å; W237-E242 HydrophobicContact CB-CB 4.4Å; I238-E242 HydrophobicContact CB-CG 4.3Å; I238-E242 PolarHBondContact N-OE2 3.12Å; I238-E242 VanDerWaalsContact O-CB 3.25Å; I238-E242 WeakPolarHBondContact O-CB 3.43Å; I238-E242 WeakPolarHBondContact O-CG 3.13Å; I238-E242 PolarHBondContact O-N 2.82Å; P240-E242 PolarHBondContact O-N 3.17Å; E242-Q244 VanDerWaalsContact C-N 3.28Å; E242-Q244 PolarHBondContact O-N 2.92Å; E242-Q245 WeakPolarHBondContact O-CB 3.16Å; E242-Q245 PolarHBondContact O-N 3.27Å; E242-F246 PolarHBondContact O-N 3.2Å
243	Y	90.9	Very high	92	Very high	80 Å²	80	51.6 Å²	51.6	31%	0.314	24%	0.243	S	C	.	.	H	α-helix	trans	-52.2	-42	-177.2	177.7	-89	0	0	0	113.5	L239 P240 S247 L286	L239-Y243 HydrophobicContact CD2-CD2 4.31Å; P240-Y243 WeakPolarHBondContact O-CB 3.25Å; P240-Y243 PolarHBondContact O-N 3.42Å; Y243-S247 VanDerWaalsContact CE1-OG 3.24Å; Y243-S247 WeakPolarHBondContact CE1-OG 3.33Å; Y243-S247 VanDerWaalsContact O-CB 3.26Å; Y243-S247 WeakPolarHBondContact O-CB 3.34Å; Y243-S247 PolarHBondContact O-N 3.12Å; Y243-S247 PolarHBondContact O-OG 2.96Å; Y243-L286 HydrophobicContact CD2-CD1 3.88Å; Y243-L286 HydrophobicContact CE2-CD1 3.65Å
244	Q	91	Very high	91.4	Very high	136 Å²	136	54.1 Å²	54.1	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-72	-31.4	-178.7	-64	-64.3	-21.4	0	0	112.4	E242 T248	E242-Q244 VanDerWaalsContact C-N 3.28Å; E242-Q244 PolarHBondContact O-N 2.92Å; Q244-T248 WeakPolarHBondContact O-CB 3.49Å; Q244-T248 PolarHBondContact O-N 2.84Å; Q244-T248 VanDerWaalsContact O-N 3.12Å; Q244-T248 PolarHBondContact O-OG1 3.31Å
245	Q	92.4	Very high	90.9	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-69.3	-55.6	175.3	-66.8	170.9	-39.7	0	0	109.5	E242 S247 T248 E249	E242-Q245 WeakPolarHBondContact O-CB 3.16Å; E242-Q245 PolarHBondContact O-N 3.27Å; Q245-S247 VanDerWaalsContact C-N 3.34Å; Q245-S247 PolarHBondContact O-N 3.06Å; Q245-T248 PolarHBondContact O-N 3.48Å; Q245-T248 VanDerWaalsContact O-N 3.1Å; Q245-E249 WeakPolarHBondContact O-CG 2.96Å; Q245-E249 PolarHBondContact O-N 3.01Å
246	F	93.1	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-49.1	-52.6	172.6	172.3	-114.7	0	0	0	112	W237 E242 T248 E249 I250 F264 I280 P283 L286 V299	W237-F246 HydrophobicContact CB-CB 4.18Å; W237-F246 HydrophobicContact CD2-CB 4.31Å; W237-F246 AromaticContact CD2-CD2 3.67Å; W237-F246 HydrophobicContact CD2-CD2 3.67Å; W237-F246 HydrophobicContact CD2-CG 4.39Å; W237-F246 AromaticContact CE2-CD2 3.92Å; W237-F246 AromaticContact CE3-CD2 3.8Å; W237-F246 HydrophobicContact CE3-CD2 3.8Å; W237-F246 HydrophobicContact CE3-CE2 4.2Å; W237-F246 HydrophobicContact CG-CB 3.86Å; W237-F246 HydrophobicContact CG-CD2 4.09Å; W237-F246 HydrophobicContact CG-CG 4.35Å; W237-F246 HydrophobicContact CH2-CD2 4.37Å; W237-F246 HydrophobicContact CZ2-CD2 4.24Å; W237-F246 HydrophobicContact CZ3-CD2 4.17Å; W237-F246 HydrophobicContact CZ3-CE2 4.27Å; E242-F246 PolarHBondContact O-N 3.2Å; F246-T248 VanDerWaalsContact C-N 3.29Å; F246-T248 PolarHBondContact O-N 3.28Å; F246-E249 PolarHBondContact O-N 2.98Å; F246-I250 HydrophobicContact CD2-CD1 4.21Å; F246-I250 HydrophobicContact CD2-CG1 3.74Å; F246-I250 HydrophobicContact CE2-CD1 3.98Å; F246-I250 HydrophobicContact CE2-CG1 3.43Å; F246-I250 VanDerWaalsContact CE2-CG1 3.43Å; F246-I250 HydrophobicContact CG-CG1 4.49Å; F246-I250 HydrophobicContact CZ-CG1 3.95Å; F246-I250 WeakPolarHBondContact O-CG1 3.44Å; F246-I250 PolarHBondContact O-N 3.09Å; F246-F264 HydrophobicContact CE2-CD1 4Å; F246-F264 HydrophobicContact CE2-CD2 4.11Å; F246-F264 HydrophobicContact CE2-CE1 4.06Å; F246-F264 HydrophobicContact CE2-CE2 4.16Å; F246-F264 HydrophobicContact CE2-CG 4.05Å; F246-F264 HydrophobicContact CE2-CZ 4.15Å; F246-F264 HydrophobicContact CZ-CD2 4.01Å; F246-F264 HydrophobicContact CZ-CE2 4.3Å; F246-F264 HydrophobicContact CZ-CG 4.18Å; F246-I280 HydrophobicContact CE1-CD1 4.32Å; F246-I280 HydrophobicContact CZ-CD1 4.14Å; F246-P283 HydrophobicContact CD1-CB 4.22Å; F246-P283 HydrophobicContact CD1-CG 4.29Å; F246-P283 HydrophobicContact CE1-CB 3.83Å; F246-P283 HydrophobicContact CE1-CG 3.83Å; F246-P283 HydrophobicContact CZ-CG 4.31Å; F246-L286 HydrophobicContact CD1-CD1 4.27Å; F246-L286 HydrophobicContact CE1-CD1 3.91Å; F246-V299 HydrophobicContact CD2-CG1 4.38Å; F246-V299 HydrophobicContact CE1-CG1 4.28Å; F246-V299 HydrophobicContact CE2-CG1 3.78Å; F246-V299 HydrophobicContact CZ-CG1 3.73Å
247	S	92.3	Very high	89.8	Confident	21 Å²	21	60.4 Å²	60.4	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-34.5	-178.1	-58.9	0	0	0	0	113.3	Y243 Q245 R251	Y243-S247 VanDerWaalsContact CE1-OG 3.24Å; Y243-S247 WeakPolarHBondContact CE1-OG 3.33Å; Y243-S247 VanDerWaalsContact O-CB 3.26Å; Y243-S247 WeakPolarHBondContact O-CB 3.34Å; Y243-S247 PolarHBondContact O-N 3.12Å; Y243-S247 PolarHBondContact O-OG 2.96Å; Q245-S247 VanDerWaalsContact C-N 3.34Å; Q245-S247 PolarHBondContact O-N 3.06Å; S247-R251 WeakPolarHBondContact O-CB 3.48Å; S247-R251 PolarHBondContact O-N 2.89Å
248	T	92.8	Very high	88.8	Confident	52 Å²	52	64.5 Å²	64.5	32%	0.319	34%	0.337	S	S	.	.	H	α-helix	trans	-78.3	-41	178.7	-53.7	0	0	0	0	111.4	Q244 Q245 F246 R251 M252	Q244-T248 WeakPolarHBondContact O-CB 3.49Å; Q244-T248 PolarHBondContact O-N 2.84Å; Q244-T248 VanDerWaalsContact O-N 3.12Å; Q244-T248 PolarHBondContact O-OG1 3.31Å; Q245-T248 PolarHBondContact O-N 3.48Å; Q245-T248 VanDerWaalsContact O-N 3.1Å; F246-T248 VanDerWaalsContact C-N 3.29Å; F246-T248 PolarHBondContact O-N 3.28Å; T248-R251 PolarHBondContact O-N 2.97Å; T248-M252 HydrophobicContact CG2-CE 4.08Å; T248-M252 HydrophobicContact CG2-SD 4.45Å; T248-M252 WeakPolarHBondContact O-CG 3.48Å; T248-M252 PolarHBondContact O-N 2.87Å
249	E	91.4	Very high	87.9	Confident	57 Å²	57	70.1 Å²	70.1	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-58	-50.4	173.2	-75.5	175.6	-114	0	0	111.4	R235 W237 Q245 F246 R251 M252 V253	R235-E249 IonicContact NH1-OE2 3.14Å; W237-E249 WeakPolarHBondContact CZ2-OE2 3.45Å; W237-E249 PolarHBondContact NE1-OE1 3.36Å; W237-E249 PolarHBondContact NE1-OE2 3.21Å; Q245-E249 WeakPolarHBondContact O-CG 2.96Å; Q245-E249 PolarHBondContact O-N 3.01Å; F246-E249 PolarHBondContact O-N 2.98Å; E249-R251 VanDerWaalsContact C-N 3.29Å; E249-R251 PolarHBondContact O-N 3.3Å; E249-M252 PolarHBondContact O-N 2.92Å; E249-V253 WeakPolarHBondContact O-CG2 3.44Å; E249-V253 PolarHBondContact O-N 3.15Å
250	I	90.5	Very high	87.2	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.036	40%	0.396	C	S	.	.	H	α-helix	trans	-67.8	-31.5	-178.2	-58.3	-32.8	0	0	0	111.5	W237 F246 K254 F264 P283	W237-I250 HydrophobicContact CH2-CD1 4.44Å; W237-I250 HydrophobicContact CZ2-CD1 4.48Å; F246-I250 HydrophobicContact CD2-CD1 4.21Å; F246-I250 HydrophobicContact CD2-CG1 3.74Å; F246-I250 HydrophobicContact CE2-CD1 3.98Å; F246-I250 HydrophobicContact CE2-CG1 3.43Å; F246-I250 VanDerWaalsContact CE2-CG1 3.43Å; F246-I250 HydrophobicContact CG-CG1 4.49Å; F246-I250 HydrophobicContact CZ-CG1 3.95Å; F246-I250 WeakPolarHBondContact O-CG1 3.44Å; F246-I250 PolarHBondContact O-N 3.09Å; I250-K254 HydrophobicContact CG2-CD 4.44Å; I250-K254 WeakPolarHBondContact O-CG 3.29Å; I250-K254 PolarHBondContact O-N 3.4Å; I250-K254 VanDerWaalsContact O-N 3.15Å; I250-F264 HydrophobicContact CD1-CE1 3.94Å; I250-F264 HydrophobicContact CD1-CE2 4.03Å; I250-F264 HydrophobicContact CD1-CZ 3.31Å; I250-F264 HydrophobicContact CG1-CE2 4.02Å; I250-F264 HydrophobicContact CG1-CZ 3.81Å; I250-F264 HydrophobicContact CG2-CE2 4.36Å; I250-P283 HydrophobicContact CB-CG 4.12Å; I250-P283 HydrophobicContact CG2-CG 4.27Å
251	R	88.9	Confident	86.7	Confident	134 Å²	134	75.3 Å²	75.3	51%	0.506	40%	0.397	S	S	.	.	H	α-helix	trans	-66.3	-46.7	172.1	-161	-174.1	68.4	-121.7	-6.7	111.6	S247 T248 E249 V253 K254 E255	S247-R251 WeakPolarHBondContact O-CB 3.48Å; S247-R251 PolarHBondContact O-N 2.89Å; T248-R251 PolarHBondContact O-N 2.97Å; E249-R251 VanDerWaalsContact C-N 3.29Å; E249-R251 PolarHBondContact O-N 3.3Å; R251-V253 VanDerWaalsContact C-N 3.31Å; R251-V253 PolarHBondContact O-N 3.34Å; R251-K254 PolarHBondContact O-N 2.71Å; R251-E255 VanDerWaalsContact CD-OE1 3.26Å; R251-E255 WeakPolarHBondContact CD-OE1 3.47Å; R251-E255 HydrophobicContact CG-CG 4.37Å; R251-E255 VanDerWaalsContact CG-OE1 3.3Å; R251-E255 WeakPolarHBondContact CG-OE1 3.23Å; R251-E255 IonicContact CZ-OE1 3.61Å; R251-E255 IonicContact NE-OE1 3.05Å; R251-E255 PolarHBondContact NE-OE1 3.49Å; R251-E255 WeakPolarHBondContact O-CB 3.42Å; R251-E255 VanDerWaalsContact O-CG 3.28Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 3.37Å
252	M	89.4	Confident	86.9	Confident	99 Å²	99	73.5 Å²	73.5	49%	0.488	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-35.9	178.2	-71.1	-175.9	-59.2	0	0	112.6	T248 E249 E255 S256	T248-M252 HydrophobicContact CG2-CE 4.08Å; T248-M252 HydrophobicContact CG2-SD 4.45Å; T248-M252 WeakPolarHBondContact O-CG 3.48Å; T248-M252 PolarHBondContact O-N 2.87Å; E249-M252 PolarHBondContact O-N 2.92Å; M252-E255 PolarHBondContact O-N 3.19Å; M252-S256 WeakPolarHBondContact O-CB 3.25Å; M252-S256 PolarHBondContact O-N 3.27Å; M252-S256 PolarHBondContact O-OG 2.91Å
253	V	86.9	Confident	87	Confident	44 Å²	44	72.9 Å²	72.9	27%	0.267	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-52.3	172.2	171.8	0	0	0	0	110.6	E249 R251 E255 S256 D257 E260	E249-V253 WeakPolarHBondContact O-CG2 3.44Å; E249-V253 PolarHBondContact O-N 3.15Å; R251-V253 VanDerWaalsContact C-N 3.31Å; R251-V253 PolarHBondContact O-N 3.34Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 3.28Å; V253-S256 PolarHBondContact O-N 2.9Å; V253-S256 PolarHBondContact O-OG 2.95Å; V253-D257 PolarHBondContact O-N 3.39Å; V253-E260 HydrophobicContact CG1-CB 4.23Å
254	K	84.8	Confident	87.3	Confident	65 Å²	65	69.2 Å²	69.2	28%	0.283	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-30.1	178	-69.1	178.8	-176.1	-170.3	0	113.5	I250 R251 R281 D282	I250-K254 HydrophobicContact CG2-CD 4.44Å; I250-K254 WeakPolarHBondContact O-CG 3.29Å; I250-K254 PolarHBondContact O-N 3.4Å; I250-K254 VanDerWaalsContact O-N 3.15Å; R251-K254 PolarHBondContact O-N 2.71Å; K254-R281 PolarHBondContact NZ-O 2.82Å; K254-D282 IonicContact NZ-OD2 2.71Å; K254-D282 PolarHBondContact NZ-OD2 2.82Å
255	E	86.5	Confident	87.5	Confident	126 Å²	126	63.5 Å²	63.5	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-73.1	-29.6	173.3	-73.3	164.8	179.1	0	0	112	R251 M252 V253	R251-E255 VanDerWaalsContact CD-OE1 3.26Å; R251-E255 WeakPolarHBondContact CD-OE1 3.47Å; R251-E255 HydrophobicContact CG-CG 4.37Å; R251-E255 VanDerWaalsContact CG-OE1 3.3Å; R251-E255 WeakPolarHBondContact CG-OE1 3.23Å; R251-E255 IonicContact CZ-OE1 3.61Å; R251-E255 IonicContact NE-OE1 3.05Å; R251-E255 PolarHBondContact NE-OE1 3.49Å; R251-E255 WeakPolarHBondContact O-CB 3.42Å; R251-E255 VanDerWaalsContact O-CG 3.28Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 3.37Å; M252-E255 PolarHBondContact O-N 3.19Å; V253-E255 VanDerWaalsContact C-N 3.27Å; V253-E255 PolarHBondContact O-N 3.28Å
256	S	86.8	Confident	87.7	Confident	97 Å²	97	58.2 Å²	58.2	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-87.2	-36.8	180	69.7	0	0	0	0	114.6	M252 V253	M252-S256 WeakPolarHBondContact O-CB 3.25Å; M252-S256 PolarHBondContact O-N 3.27Å; M252-S256 PolarHBondContact O-OG 2.91Å; V253-S256 PolarHBondContact O-N 2.9Å; V253-S256 PolarHBondContact O-OG 2.95Å
257	D	82.4	Confident	87.7	Confident	66 Å²	66	58.9 Å²	58.9	35%	0.353	33%	0.327	S	S	.	.			trans	-142.8	105.4	171.4	-171.7	-22.3	0	0	0	109.4	V253 T259 E260	V253-D257 PolarHBondContact O-N 3.39Å; D257-T259 PolarHBondContact O-N 2.7Å; D257-T259 WeakPolarHBondContact OD1-CA 3.45Å; D257-T259 VanDerWaalsContact OD1-CB 3.28Å; D257-T259 WeakPolarHBondContact OD1-CB 3.34Å; D257-T259 PolarHBondContact OD1-N 3.06Å; D257-T259 PolarHBondContact OD1-OG1 3.02Å; D257-T259 PolarHBondContact OD2-OG1 3.23Å; D257-E260 HydrophobicContact CB-CB 4.47Å; D257-E260 HydrophobicContact CB-CG 4.16Å; D257-E260 PolarHBondContact O-N 2.96Å
258	A	74.6	Confident	87.6	Confident	98 Å²	98	59.5 Å²	59.5	81%	0.81	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.8	179.6	0	0	0	0	0	113.7
259	T	73	Confident	87.4	Confident	119 Å²	119	57.7 Å²	57.7	73%	0.73	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-20.8	173.6	77.6	0	0	0	0	112.7	D257 S261	D257-T259 PolarHBondContact O-N 2.7Å; D257-T259 WeakPolarHBondContact OD1-CA 3.45Å; D257-T259 VanDerWaalsContact OD1-CB 3.28Å; D257-T259 WeakPolarHBondContact OD1-CB 3.34Å; D257-T259 PolarHBondContact OD1-N 3.06Å; D257-T259 PolarHBondContact OD1-OG1 3.02Å; D257-T259 PolarHBondContact OD2-OG1 3.23Å; T259-S261 PolarHBondContact O-N 3.07Å
260	E	75.9	Confident	86.8	Confident	111 Å²	111	58.3 Å²	58.3	52%	0.519	34%	0.34	S	S	.	.			trans	-73.1	110.1	174.1	-73.4	-137.2	135.7	0	0	111.2	V253 D257 P262	V253-E260 HydrophobicContact CG1-CB 4.23Å; D257-E260 HydrophobicContact CB-CB 4.47Å; D257-E260 HydrophobicContact CB-CG 4.16Å; D257-E260 PolarHBondContact O-N 2.96Å; E260-P262 WeakPolarHBondContact O-CD 3.37Å
261	S	79.2	Confident	86.2	Confident	56 Å²	56	58.8 Å²	58.8	39%	0.392	35%	0.348	S	S	.	.			trans	-110.3	70.3	171.2	-167.3	0	0	0	0	109.7	T259 T263 R281	T259-S261 PolarHBondContact O-N 3.07Å; S261-T263 PolarHBondContact O-N 3.37Å; S261-R281 PolarHBondContact OG-NH1 2.66Å
262	P	90.2	Very high	85.6	Confident	35 Å²	35	55.9 Å²	55.9	23%	0.227	35%	0.347	C	S	.	.			trans	-60.5	139.4	-178.3	27.6	-35.7	0	0	0	109.9	E260 F264	E260-P262 WeakPolarHBondContact O-CD 3.37Å; P262-F264 HydrophobicContact CB-CE1 4.47Å; P262-F264 HydrophobicContact CB-CE2 3.95Å; P262-F264 HydrophobicContact CB-CZ 3.63Å; P262-F264 HydrophobicContact CG-CE2 3.93Å; P262-F264 HydrophobicContact CG-CZ 3.79Å; P262-F264 WeakPolarHBondContact O-CE2 3.38Å
263	T	95.2	Very high	85	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.08	36%	0.356	C	S	.	.			trans	-109.4	136.5	-179	-53.2	0	0	0	0	108.7	S261 L279 R281 Y302 P348 L353	S261-T263 PolarHBondContact O-N 3.37Å; T263-L279 HydrophobicContact CG2-CB 4.29Å; T263-L279 HydrophobicContact CG2-CD1 4.39Å; T263-R281 HydrophobicContact CG2-CG 4.35Å; T263-R281 PolarHBondContact OG1-NE 2.67Å; T263-R281 PolarHBondContact OG1-NH2 2.7Å; T263-Y302 WeakPolarHBondContact O-CB 3.32Å; T263-Y302 PolarHBondContact O-N 2.92Å; T263-P348 HydrophobicContact CG2-CB 3.8Å; T263-P348 HydrophobicContact CG2-CG 4.15Å; T263-L353 HydrophobicContact CG2-CD2 3.94Å
264	F	96.2	Very high	84.3	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.6	-179.6	-50.6	-85.3	0	0	0	110.5	W237 F246 I250 P262 L279 I280 V299 Q300 E301	W237-F264 HydrophobicContact CH2-CD1 4.4Å; W237-F264 AromaticContact CH2-CE1 3.85Å; W237-F264 HydrophobicContact CH2-CE1 3.85Å; W237-F264 AromaticContact CZ3-CD1 3.87Å; W237-F264 HydrophobicContact CZ3-CD1 3.87Å; W237-F264 AromaticContact CZ3-CE1 3.79Å; W237-F264 HydrophobicContact CZ3-CE1 3.79Å; F246-F264 HydrophobicContact CE2-CD1 4Å; F246-F264 HydrophobicContact CE2-CD2 4.11Å; F246-F264 HydrophobicContact CE2-CE1 4.06Å; F246-F264 HydrophobicContact CE2-CE2 4.16Å; F246-F264 HydrophobicContact CE2-CG 4.05Å; F246-F264 HydrophobicContact CE2-CZ 4.15Å; F246-F264 HydrophobicContact CZ-CD2 4.01Å; F246-F264 HydrophobicContact CZ-CE2 4.3Å; F246-F264 HydrophobicContact CZ-CG 4.18Å; I250-F264 HydrophobicContact CD1-CE1 3.94Å; I250-F264 HydrophobicContact CD1-CE2 4.03Å; I250-F264 HydrophobicContact CD1-CZ 3.31Å; I250-F264 HydrophobicContact CG1-CE2 4.02Å; I250-F264 HydrophobicContact CG1-CZ 3.81Å; I250-F264 HydrophobicContact CG2-CE2 4.36Å; P262-F264 HydrophobicContact CB-CE1 4.47Å; P262-F264 HydrophobicContact CB-CE2 3.95Å; P262-F264 HydrophobicContact CB-CZ 3.63Å; P262-F264 HydrophobicContact CG-CE2 3.93Å; P262-F264 HydrophobicContact CG-CZ 3.79Å; P262-F264 WeakPolarHBondContact O-CE2 3.38Å; F264-L279 CarbonylContact O-C 3.54Å; F264-L279 VanDerWaalsContact O-CA 3.25Å; F264-L279 WeakPolarHBondContact O-CA 3.37Å; F264-I280 HydrophobicContact CB-CD1 4.37Å; F264-I280 HydrophobicContact CB-CG1 3.82Å; F264-I280 HydrophobicContact CD2-CG1 4.39Å; F264-I280 PolarHBondContact N-O 2.97Å; F264-I280 PolarHBondContact O-N 3.2Å; F264-V299 HydrophobicContact CB-CG1 3.67Å; F264-V299 HydrophobicContact CD1-CG1 4.38Å; F264-V299 HydrophobicContact CG-CG1 4.14Å; F264-Q300 CarbonylContact C-O 3.06Å; F264-Q300 VanDerWaalsContact CA-O 3.23Å; F264-Q300 WeakPolarHBondContact CA-O 3.31Å; F264-Q300 WeakPolarHBondContact CB-O 3.45Å; F264-E301 HydrophobicContact CD1-CG 4.45Å; F264-E301 HydrophobicContact CE1-CG 4.2Å
265	I	96.1	Very high	84.1	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.077	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.8	172.8	-174.7	166.7	0	0	0	109.2	K267 I277 L279 Q300 Y302 L360	I265-K267 HydrophobicContact CG1-CG 4.18Å; I265-I277 HydrophobicContact CD1-CG2 3.7Å; I265-I277 HydrophobicContact CG1-CG2 3.66Å; I265-L279 HydrophobicContact CB-CD2 3.67Å; I265-L279 HydrophobicContact CD1-CD2 4.21Å; I265-L279 HydrophobicContact CG1-CD2 3.87Å; I265-Q300 HydrophobicContact CG2-CB 4.02Å; I265-Q300 HydrophobicContact CG2-CG 4.48Å; I265-Q300 WeakPolarHBondContact CG2-O 3.43Å; I265-Q300 PolarHBondContact N-O 2.91Å; I265-Q300 PolarHBondContact O-N 3.06Å; I265-Y302 HydrophobicContact CB-CD2 4.14Å; I265-Y302 HydrophobicContact CD1-CD2 4.39Å; I265-Y302 HydrophobicContact CG2-CD2 4.45Å; I265-L360 HydrophobicContact CD1-CD2 3.94Å
266	V	94.9	Very high	84.1	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.5	176.5	-168.6	0	0	0	0	108	I277 Y278 I280 L286 A297 V299	V266-I277 WeakPolarHBondContact O-CA 3.28Å; V266-Y278 HydrophobicContact CB-CD1 4.03Å; V266-Y278 HydrophobicContact CB-CD2 4.5Å; V266-Y278 HydrophobicContact CB-CE1 3.76Å; V266-Y278 HydrophobicContact CB-CE2 4.28Å; V266-Y278 HydrophobicContact CB-CG 4.39Å; V266-Y278 HydrophobicContact CG1-CD1 4.49Å; V266-Y278 HydrophobicContact CG1-CE1 3.79Å; V266-Y278 HydrophobicContact CG2-CD2 4.19Å; V266-Y278 HydrophobicContact CG2-CE1 4.23Å; V266-Y278 HydrophobicContact CG2-CE2 3.84Å; V266-Y278 PolarHBondContact N-O 2.74Å; V266-Y278 PolarHBondContact O-N 3.48Å; V266-I280 HydrophobicContact CG2-CD1 3.78Å; V266-I280 HydrophobicContact CG2-CG1 3.97Å; V266-I280 HydrophobicContact CG2-CG2 3.93Å; V266-L286 HydrophobicContact CG1-CD2 4.14Å; V266-L286 HydrophobicContact CG2-CD2 3.81Å; V266-A297 HydrophobicContact CG1-CB 4.47Å; V266-V299 HydrophobicContact CG1-CG2 4.38Å; V266-V299 HydrophobicContact CG2-CG2 4.32Å
267	K	93.1	Very high	84.3	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.057	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.6	-177.1	-60.6	177.7	174.5	175.7	0	109.8	K212 I265 D269 I277 A297 V298 L458	K212-K267 HydrophobicContact CD-CB 3.66Å; K212-K267 HydrophobicContact CD-CD 4.18Å; I265-K267 HydrophobicContact CG1-CG 4.18Å; K267-D269 PolarHBondContact O-N 2.99Å; K267-I277 HydrophobicContact CG-CD1 4.4Å; K267-A297 WeakPolarHBondContact O-CA 3.14Å; K267-V298 PolarHBondContact N-O 2.66Å; K267-V298 PolarHBondContact O-N 3.14Å; K267-L458 PolarHBondContact NZ-O 2.67Å
268	P	91.1	Very high	84.8	Confident	34 Å²	34	50.7 Å²	50.7	22%	0.221	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137.1	173.4	-20.5	31.5	0	0	0	110.6	K212 G271 G276	K212-P268 PolarHBondContact NZ-O 2.85Å; P268-G271 PolarHBondContact O-N 2.71Å; P268-G271 VanDerWaalsContact O-N 3.14Å; P268-G276 WeakPolarHBondContact CD-O 3.43Å; P268-G276 WeakPolarHBondContact CG-O 3.45Å
269	D	88.6	Confident	85.8	Confident	14 Å²	14	46.8 Å²	46.8	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-56.3	-170.4	-179.3	64.1	0	0	0	112.3	R211 K212 I213 K267 G271 Q296	R211-D269 WeakPolarHBondContact CD-OD2 3.22Å; R211-D269 IonicContact NH1-OD2 3.38Å; K212-D269 PolarHBondContact N-OD1 3.43Å; K212-D269 PolarHBondContact NZ-O 3.35Å; I213-D269 WeakPolarHBondContact CB-OD1 3.37Å; I213-D269 HydrophobicContact CD1-CB 3.75Å; I213-D269 HydrophobicContact CG1-CB 4.01Å; I213-D269 WeakPolarHBondContact CG1-OD1 3.44Å; I213-D269 PolarHBondContact N-OD1 2.9Å; K267-D269 PolarHBondContact O-N 2.99Å; D269-G271 PolarHBondContact O-N 3.15Å; D269-Q296 PolarHBondContact N-O 3Å
270	G	78.2	Confident	86.8	Confident	70 Å²	70	41.1 Å²	41.1	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	1.2	174.2	0	0	0	0	0	115.3
271	G	77.4	Confident	87.5	Confident	18 Å²	18	38 Å²	38	19%	0.186	24%	0.238	C	C	.	.			trans	-68.2	152	175.2	0	0	0	0	0	112	K212 P268 D269	K212-G271 PolarHBondContact NZ-O 3.4Å; P268-G271 PolarHBondContact O-N 2.71Å; P268-G271 VanDerWaalsContact O-N 3.14Å; D269-G271 PolarHBondContact O-N 3.15Å
272	S	76.3	Confident	88	Confident	72 Å²	72	38.7 Å²	38.7	50%	0.503	24%	0.238	S	C	.	.			trans	-145	174.3	174.5	73.5	0	0	0	0	110.1	G274 D275	S272-G274 PolarHBondContact O-N 2.99Å; S272-D275 WeakPolarHBondContact O-CB 3.31Å; S272-D275 PolarHBondContact O-N 2.81Å
273	Q	76.8	Confident	87.9	Confident	141 Å²	141	37.6 Å²	37.6	66%	0.659	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	6.9	173.1	-63.2	-174.4	6.1	0	0	116.3	S364	Q273-S364 WeakPolarHBondContact CA-OG 3.26Å; Q273-S364 WeakPolarHBondContact CB-OG 3.45Å; Q273-S364 PolarHBondContact O-OG 3.19Å
274	G	73.7	Confident	87.5	Confident	15 Å²	15	39.8 Å²	39.8	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-6.2	-172.3	0	0	0	0	0	114.2	S272 I277	S272-G274 PolarHBondContact O-N 2.99Å; G274-I277 WeakPolarHBondContact O-CB 3.42Å; G274-I277 PolarHBondContact O-N 2.9Å
275	D	80.8	Confident	87	Confident	121 Å²	121	42.4 Å²	42.4	65%	0.647	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	137.1	-176.9	-179.1	37.8	0	0	0	112.7	S272 I277	S272-D275 WeakPolarHBondContact O-CB 3.31Å; S272-D275 PolarHBondContact O-N 2.81Å; D275-I277 PolarHBondContact O-N 3.35Å; D275-I277 VanDerWaalsContact O-N 3.12Å
276	G	85.4	Confident	86.5	Confident	37 Å²	37	42.4 Å²	42.4	38%	0.381	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	9.9	-177.4	0	0	0	0	0	115.9	P268 Y278	P268-G276 WeakPolarHBondContact CD-O 3.43Å; P268-G276 WeakPolarHBondContact CG-O 3.45Å; G276-Y278 WeakPolarHBondContact O-CD1 3.41Å
277	I	90.9	Very high	85.5	Confident	26 Å²	26	49.3 Å²	49.3	13%	0.133	30%	0.3	C	S	.	.			trans	-81.5	132.7	176.7	-59.3	-172.4	0	0	0	110.5	I265 V266 K267 G274 D275 L360	I265-I277 HydrophobicContact CD1-CG2 3.7Å; I265-I277 HydrophobicContact CG1-CG2 3.66Å; V266-I277 WeakPolarHBondContact O-CA 3.28Å; K267-I277 HydrophobicContact CG-CD1 4.4Å; G274-I277 WeakPolarHBondContact O-CB 3.42Å; G274-I277 PolarHBondContact O-N 2.9Å; D275-I277 PolarHBondContact O-N 3.35Å; D275-I277 VanDerWaalsContact O-N 3.12Å; I277-L360 HydrophobicContact CB-CD1 4.21Å; I277-L360 HydrophobicContact CG2-CD1 4.06Å; I277-L360 HydrophobicContact CG2-CD2 3.81Å
278	Y	93.2	Very high	83.7	Confident	49 Å²	49	55.7 Å²	55.7	19%	0.192	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.7	174.7	62.6	-78.3	0	0	0	112.1	V266 G276 I280 K287	V266-Y278 HydrophobicContact CB-CD1 4.03Å; V266-Y278 HydrophobicContact CB-CD2 4.5Å; V266-Y278 HydrophobicContact CB-CE1 3.76Å; V266-Y278 HydrophobicContact CB-CE2 4.28Å; V266-Y278 HydrophobicContact CB-CG 4.39Å; V266-Y278 HydrophobicContact CG1-CD1 4.49Å; V266-Y278 HydrophobicContact CG1-CE1 3.79Å; V266-Y278 HydrophobicContact CG2-CD2 4.19Å; V266-Y278 HydrophobicContact CG2-CE1 4.23Å; V266-Y278 HydrophobicContact CG2-CE2 3.84Å; V266-Y278 PolarHBondContact N-O 2.74Å; V266-Y278 PolarHBondContact O-N 3.48Å; G276-Y278 WeakPolarHBondContact O-CD1 3.41Å; Y278-I280 HydrophobicContact CD2-CG2 3.66Å; Y278-I280 HydrophobicContact CE2-CG2 3.44Å; Y278-I280 VanDerWaalsContact CE2-CG2 3.44Å; Y278-K287 HydrophobicContact CE2-CD 4.3Å; Y278-K287 HydrophobicContact CE2-CG 4.21Å; Y278-K287 PolarHBondContact OH-N 3.05Å
279	L	95.3	Very high	81.9	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.6	175	-56.9	-175.4	0	0	0	111.4	T263 F264 I265 Y302 L353 H359	T263-L279 HydrophobicContact CG2-CB 4.29Å; T263-L279 HydrophobicContact CG2-CD1 4.39Å; F264-L279 CarbonylContact O-C 3.54Å; F264-L279 VanDerWaalsContact O-CA 3.25Å; F264-L279 WeakPolarHBondContact O-CA 3.37Å; I265-L279 HydrophobicContact CB-CD2 3.67Å; I265-L279 HydrophobicContact CD1-CD2 4.21Å; I265-L279 HydrophobicContact CG1-CD2 3.87Å; L279-Y302 HydrophobicContact CD1-CE2 4.32Å; L279-Y302 HydrophobicContact CD2-CD2 3.58Å; L279-Y302 HydrophobicContact CD2-CE2 3.91Å; L279-Y302 HydrophobicContact CD2-CG 4.16Å; L279-L353 HydrophobicContact CB-CB 4.16Å; L279-L353 HydrophobicContact CB-CD2 4.05Å; L279-L353 HydrophobicContact CD1-CD2 4.25Å; L279-H359 HydrophobicContact CD1-CB 4.07Å
280	I	93.9	Very high	79.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161.2	176.5	62.4	173.6	0	0	0	111.9	F246 F264 V266 Y278 D285 L286 V299	F246-I280 HydrophobicContact CE1-CD1 4.32Å; F246-I280 HydrophobicContact CZ-CD1 4.14Å; F264-I280 HydrophobicContact CB-CD1 4.37Å; F264-I280 HydrophobicContact CB-CG1 3.82Å; F264-I280 HydrophobicContact CD2-CG1 4.39Å; F264-I280 PolarHBondContact N-O 2.97Å; F264-I280 PolarHBondContact O-N 3.2Å; V266-I280 HydrophobicContact CG2-CD1 3.78Å; V266-I280 HydrophobicContact CG2-CG1 3.97Å; V266-I280 HydrophobicContact CG2-CG2 3.93Å; Y278-I280 HydrophobicContact CD2-CG2 3.66Å; Y278-I280 HydrophobicContact CE2-CG2 3.44Å; Y278-I280 VanDerWaalsContact CE2-CG2 3.44Å; I280-D285 HydrophobicContact CB-CB 3.8Å; I280-D285 HydrophobicContact CG2-CB 3.56Å; I280-L286 HydrophobicContact CD1-CD1 4.35Å; I280-L286 HydrophobicContact CD1-CD2 3.83Å; I280-L286 HydrophobicContact CD1-CG 3.79Å; I280-V299 HydrophobicContact CD1-CG1 4.32Å
281	R	91.8	Very high	78.1	Confident	46 Å²	46	59.7 Å²	59.7	17%	0.174	35%	0.354	C	S	.	.	S	Bend	trans	-133.2	-15.1	174	-78.5	-174.8	162.3	-147.8	-6	114.2	K254 S261 T263 D285 P348 L353	K254-R281 PolarHBondContact NZ-O 2.82Å; S261-R281 PolarHBondContact OG-NH1 2.66Å; T263-R281 HydrophobicContact CG2-CG 4.35Å; T263-R281 PolarHBondContact OG1-NE 2.67Å; T263-R281 PolarHBondContact OG1-NH2 2.7Å; R281-D285 PolarHBondContact N-OD2 2.88Å; R281-P348 VanDerWaalsContact NH2-C 3.34Å; R281-P348 PolarHBondContact NH2-O 2.97Å; R281-L353 HydrophobicContact CG-CD1 4.08Å
282	D	88.3	Confident	76.5	Confident	70 Å²	70	64.2 Å²	64.2	37%	0.374	39%	0.39	S	S	.	.	S	Bend	trans	-120.7	143.3	166	-157.2	-92.2	0	0	0	110.9	K254 G284 D285	K254-D282 IonicContact NZ-OD2 2.71Å; K254-D282 PolarHBondContact NZ-OD2 2.82Å; D282-G284 PolarHBondContact O-N 2.94Å; D282-G284 PolarHBondContact OD1-N 2.79Å; D282-D285 PolarHBondContact N-OD2 2.9Å; D282-D285 VanDerWaalsContact O-CB 3.28Å; D282-D285 WeakPolarHBondContact O-CB 3.31Å; D282-D285 PolarHBondContact O-N 3.37Å
283	P	89.1	Confident	75.3	Confident	11 Å²	11	69.4 Å²	69.4	7%	0.071	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-54.5	-28.5	168.4	-25.9	35.3	0	0	0	113.2	F246 I250 D285 L286	F246-P283 HydrophobicContact CD1-CB 4.22Å; F246-P283 HydrophobicContact CD1-CG 4.29Å; F246-P283 HydrophobicContact CE1-CB 3.83Å; F246-P283 HydrophobicContact CE1-CG 3.83Å; F246-P283 HydrophobicContact CZ-CG 4.31Å; I250-P283 HydrophobicContact CB-CG 4.12Å; I250-P283 HydrophobicContact CG2-CG 4.27Å; P283-D285 VanDerWaalsContact C-N 3.26Å; P283-D285 PolarHBondContact O-N 2.96Å; P283-L286 WeakPolarHBondContact O-CB 3.42Å; P283-L286 PolarHBondContact O-N 3.3Å
284	G	85.9	Confident	74.6	Confident	60 Å²	60	64.5 Å²	64.5	62%	0.619	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.8	172.5	0	0	0	0	0	115.3	D282 L286	D282-G284 PolarHBondContact O-N 2.94Å; D282-G284 PolarHBondContact OD1-N 2.79Å; G284-L286 PolarHBondContact O-N 2.91Å
285	D	86	Confident	74.6	Confident	58 Å²	58	72 Å²	72	31%	0.31	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.6	-9.4	174.1	-62.2	-39.3	0	0	0	112.5	I280 R281 D282 P283 K287	I280-D285 HydrophobicContact CB-CB 3.8Å; I280-D285 HydrophobicContact CG2-CB 3.56Å; R281-D285 PolarHBondContact N-OD2 2.88Å; D282-D285 PolarHBondContact N-OD2 2.9Å; D282-D285 VanDerWaalsContact O-CB 3.28Å; D282-D285 WeakPolarHBondContact O-CB 3.31Å; D282-D285 PolarHBondContact O-N 3.37Å; P283-D285 VanDerWaalsContact C-N 3.26Å; P283-D285 PolarHBondContact O-N 2.96Å; D285-K287 PolarHBondContact O-N 3.24Å
286	L	85.3	Confident	75	Confident	16 Å²	16	69.7 Å²	69.7	8%	0.084	40%	0.404	C	S	.	.	S	Bend	trans	-67.3	96.4	-178.4	-79.2	165.7	0	0	0	111.2	L239 Y243 F246 V266 I280 P283 G284 L288 V299	L239-L286 HydrophobicContact CD1-CD1 3.79Å; L239-L286 HydrophobicContact CD1-CD2 3.79Å; L239-L286 HydrophobicContact CD1-CG 4.44Å; Y243-L286 HydrophobicContact CD2-CD1 3.88Å; Y243-L286 HydrophobicContact CE2-CD1 3.65Å; F246-L286 HydrophobicContact CD1-CD1 4.27Å; F246-L286 HydrophobicContact CE1-CD1 3.91Å; V266-L286 HydrophobicContact CG1-CD2 4.14Å; V266-L286 HydrophobicContact CG2-CD2 3.81Å; I280-L286 HydrophobicContact CD1-CD1 4.35Å; I280-L286 HydrophobicContact CD1-CD2 3.83Å; I280-L286 HydrophobicContact CD1-CG 3.79Å; P283-L286 WeakPolarHBondContact O-CB 3.42Å; P283-L286 PolarHBondContact O-N 3.3Å; G284-L286 PolarHBondContact O-N 2.91Å; L286-L288 PolarHBondContact O-N 3.42Å; L286-V299 HydrophobicContact CD2-CG2 4.02Å
287	K	74	Confident	75.3	Confident	149 Å²	149	68.1 Å²	68.1	65%	0.648	39%	0.387	S	S	*	.			trans	-49.6	114.7	176.8	-62.7	178.2	-177.7	175.9	0	109.6	Y278 D285 V289	Y278-K287 HydrophobicContact CE2-CD 4.3Å; Y278-K287 HydrophobicContact CE2-CG 4.21Å; Y278-K287 PolarHBondContact OH-N 3.05Å; D285-K287 PolarHBondContact O-N 3.24Å; K287-V289 PolarHBondContact O-N 2.98Å
288	L	55.4	Low	75.5	Confident	147 Å²	147	67 Å²	67	77%	0.77	38%	0.381	S	S	*	.			trans	-36.7	100.2	-156.5	-65.3	167.8	0	0	0	114.9	L286 V290	L286-L288 PolarHBondContact O-N 3.42Å; L288-V290 HydrophobicContact CB-CB 4.43Å; L288-V290 HydrophobicContact CD2-CB 4.04Å; L288-V290 HydrophobicContact CD2-CG2 4.11Å; L288-V290 PolarHBondContact O-N 2.94Å
289	V	53.2	Low	75.6	Confident	30 Å²	30	64.6 Å²	64.6	18%	0.182	37%	0.372	C	S	.	.			trans	-75.2	12.3	156.7	-173.4	0	0	0	0	109.9	P240 K287 A294 K295	P240-V289 HydrophobicContact CB-CG1 4.3Å; K287-V289 PolarHBondContact O-N 2.98Å; V289-A294 HydrophobicContact CG1-CB 3.95Å; V289-A294 WeakPolarHBondContact O-CA 3.34Å; V289-A294 WeakPolarHBondContact O-CB 3.18Å; V289-K295 WeakPolarHBondContact CG1-O 3.12Å
290	V	41.3	Very low	75.7	Confident	118 Å²	118	64 Å²	64	72%	0.715	37%	0.369	S	S	*	.			trans	-103.8	105.6	-173.5	-175.5	0	0	0	0	109.6	L288	L288-V290 HydrophobicContact CB-CB 4.43Å; L288-V290 HydrophobicContact CD2-CB 4.04Å; L288-V290 HydrophobicContact CD2-CG2 4.11Å; L288-V290 PolarHBondContact O-N 2.94Å
291	G	46.2	Very low	75.8	Confident	54 Å²	54	67.2 Å²	67.2	56%	0.557	38%	0.384	S	S	*	.	S	Bend	trans	162.1	175.7	179.6	0	0	0	0	0	110.5	Q293 A294	G291-Q293 PolarHBondContact O-N 3.01Å; G291-A294 PolarHBondContact O-N 3.27Å
292	A	43.6	Very low	76	Confident	113 Å²	113	65.8 Å²	65.8	93%	0.934	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	1.7	-178.2	0	0	0	0	0	115
293	Q	51.9	Low	76.5	Confident	180 Å²	180	63.7 Å²	63.7	84%	0.841	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	50.4	174.4	-65.9	-171.5	-10.3	0	0	110.9	G291 K295	G291-Q293 PolarHBondContact O-N 3.01Å; Q293-K295 PolarHBondContact O-N 3.37Å
294	A	61.5	Low	76.8	Confident	39 Å²	39	68.6 Å²	68.6	32%	0.322	39%	0.389	S	S	.	.			trans	-53.1	105.8	171.5	0	0	0	0	0	111.1	P240 V289 G291 Q296	P240-A294 HydrophobicContact CG-CB 4.14Å; V289-A294 HydrophobicContact CG1-CB 3.95Å; V289-A294 WeakPolarHBondContact O-CA 3.34Å; V289-A294 WeakPolarHBondContact O-CB 3.18Å; G291-A294 PolarHBondContact O-N 3.27Å; A294-Q296 PolarHBondContact O-N 2.81Å
295	K	74.8	Confident	77.3	Confident	171 Å²	171	69.9 Å²	69.9	74%	0.743	38%	0.377	S	S	*	.			trans	-73.3	118.9	178.4	-73.6	-173.7	177	-177.9	0	110.4	V289 Q293	V289-K295 WeakPolarHBondContact CG1-O 3.12Å; Q293-K295 PolarHBondContact O-N 3.37Å
296	Q	88.1	Confident	77.8	Confident	73 Å²	73	67.4 Å²	67.4	34%	0.341	37%	0.365	S	S	.	.			trans	-60.2	133.9	177	-91.6	-177.2	-26.2	0	0	112.3	I213 L239 E241 D269 A294 A622	I213-Q296 HydrophobicContact CD1-CB 3.71Å; I213-Q296 HydrophobicContact CD1-CG 4.11Å; L239-Q296 VanDerWaalsContact O-CA 3.32Å; L239-Q296 WeakPolarHBondContact O-CA 3.35Å; E241-Q296 PolarHBondContact OE1-NE2 2.89Å; D269-Q296 PolarHBondContact N-O 3Å; A294-Q296 PolarHBondContact O-N 2.81Å; Q296-A622 PolarHBondContact NE2-O 2.55Å
297	A	91.4	Very high	78.5	Confident	5 Å²	5	67.7 Å²	67.7	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.9	-174.9	0	0	0	0	0	111.9	L239 V266 K267	L239-A297 PolarHBondContact N-O 2.81Å; L239-A297 PolarHBondContact O-N 3.12Å; L239-A297 VanDerWaalsContact O-N 3.14Å; V266-A297 HydrophobicContact CG1-CB 4.47Å; K267-A297 WeakPolarHBondContact O-CA 3.14Å
298	V	94.6	Very high	79.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127	166.6	-179.1	0	0	0	0	108.6	K212 I213 W237 K267 Q300	K212-V298 HydrophobicContact CB-CG2 3.8Å; I213-V298 HydrophobicContact CB-CG2 4.44Å; I213-V298 HydrophobicContact CG1-CG2 3.63Å; W237-V298 WeakPolarHBondContact O-CA 3.09Å; K267-V298 PolarHBondContact N-O 2.66Å; K267-V298 PolarHBondContact O-N 3.14Å; V298-Q300 HydrophobicContact CG1-CB 4.34Å
299	V	95.8	Very high	81.5	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.9	161.3	179.4	0	0	0	0	107.1	S236 W237 L239 F246 F264 V266 I280 L286	S236-V299 CarbonylContact C-O 3.59Å; S236-V299 VanDerWaalsContact CA-O 3.32Å; S236-V299 WeakPolarHBondContact CA-O 3.49Å; W237-V299 HydrophobicContact CE3-CG1 4.5Å; W237-V299 PolarHBondContact N-O 3.33Å; W237-V299 PolarHBondContact O-N 3.29Å; L239-V299 HydrophobicContact CD1-CG2 3.45Å; L239-V299 VanDerWaalsContact CD1-CG2 3.45Å; L239-V299 HydrophobicContact CG-CG2 3.87Å; F246-V299 HydrophobicContact CD2-CG1 4.38Å; F246-V299 HydrophobicContact CE1-CG1 4.28Å; F246-V299 HydrophobicContact CE2-CG1 3.78Å; F246-V299 HydrophobicContact CZ-CG1 3.73Å; F264-V299 HydrophobicContact CB-CG1 3.67Å; F264-V299 HydrophobicContact CD1-CG1 4.38Å; F264-V299 HydrophobicContact CG-CG1 4.14Å; V266-V299 HydrophobicContact CG1-CG2 4.38Å; V266-V299 HydrophobicContact CG2-CG2 4.32Å; I280-V299 HydrophobicContact CD1-CG1 4.32Å; L286-V299 HydrophobicContact CD2-CG2 4.02Å
300	Q	97.1	Very high	83.4	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.4	-175.3	178.2	171.6	81.1	0	0	110.9	Y233 P234 R235 S236 F264 I265 V298 Y302	Y233-Q300 VanDerWaalsContact CZ-NE2 3.31Å; Y233-Q300 PolarHBondContact OH-NE2 3.46Å; P234-Q300 HydrophobicContact CB-CG 3.77Å; P234-Q300 HydrophobicContact CG-CG 4.11Å; R235-Q300 CarbonylContact O-C 3.47Å; R235-Q300 WeakPolarHBondContact O-CA 3.49Å; S236-Q300 WeakPolarHBondContact OG-CG 3.34Å; S236-Q300 PolarHBondContact OG-NE2 3.37Å; F264-Q300 CarbonylContact C-O 3.06Å; F264-Q300 VanDerWaalsContact CA-O 3.23Å; F264-Q300 WeakPolarHBondContact CA-O 3.31Å; F264-Q300 WeakPolarHBondContact CB-O 3.45Å; I265-Q300 HydrophobicContact CG2-CB 4.02Å; I265-Q300 HydrophobicContact CG2-CG 4.48Å; I265-Q300 WeakPolarHBondContact CG2-O 3.43Å; I265-Q300 PolarHBondContact N-O 2.91Å; I265-Q300 PolarHBondContact O-N 3.06Å; V298-Q300 HydrophobicContact CG1-CB 4.34Å; Q300-Y302 PolarHBondContact O-N 3.38Å
301	E	96.3	Very high	86	Confident	68 Å²	68	61.2 Å²	61.2	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130	171.4	-72.7	168.4	168.4	0	0	111.1	P234 R235 W237 F264	P234-E301 HydrophobicContact CB-CB 3.94Å; R235-E301 HydrophobicContact CB-CG 3.89Å; R235-E301 WeakPolarHBondContact CB-OE1 3.49Å; R235-E301 VanDerWaalsContact CB-OE2 3.26Å; R235-E301 WeakPolarHBondContact CB-OE2 3.38Å; R235-E301 PolarHBondContact N-OE2 2.92Å; R235-E301 IonicContact NE-OE1 3.31Å; R235-E301 PolarHBondContact NE-OE1 3.4Å; R235-E301 PolarHBondContact O-N 3.16Å; W237-E301 HydrophobicContact CH2-CG 4.22Å; W237-E301 HydrophobicContact CZ3-CG 4.18Å; F264-E301 HydrophobicContact CD1-CG 4.45Å; F264-E301 HydrophobicContact CE1-CG 4.2Å
302	Y	97.4	Very high	88.5	Confident	15 Å²	15	60 Å²	60	6%	0.059	31%	0.307	C	S	.	.			trans	-87.7	125.2	178.9	-177.6	-97.8	0	0	0	111.7	T263 I265 L279 Q300 H304 K313 Y345 P348 H359	T263-Y302 WeakPolarHBondContact O-CB 3.32Å; T263-Y302 PolarHBondContact O-N 2.92Å; I265-Y302 HydrophobicContact CB-CD2 4.14Å; I265-Y302 HydrophobicContact CD1-CD2 4.39Å; I265-Y302 HydrophobicContact CG2-CD2 4.45Å; L279-Y302 HydrophobicContact CD1-CE2 4.32Å; L279-Y302 HydrophobicContact CD2-CD2 3.58Å; L279-Y302 HydrophobicContact CD2-CE2 3.91Å; L279-Y302 HydrophobicContact CD2-CG 4.16Å; Q300-Y302 PolarHBondContact O-N 3.38Å; Y302-H304 HydrophobicContact CD1-CB 4.38Å; Y302-H304 PolarHBondContact O-N 3.35Å; Y302-K313 PolarHBondContact OH-NZ 3.42Å; Y302-Y345 WeakPolarHBondContact CE1-OH 3.28Å; Y302-P348 HydrophobicContact CD1-CG 3.53Å; Y302-P348 HydrophobicContact CE1-CG 3.38Å; Y302-H359 AromaticContact CZ-ND1 3.76Å; Y302-H359 PolarHBondContact OH-ND1 3.02Å
303	I	97	Very high	91.1	Very high	26 Å²	26	55.1 Å²	55.1	13%	0.133	26%	0.264	C	S	.	.			trans	-71.3	92.6	175.7	-53.8	-63	0	0	0	109.8	P234 L448 M450 V456	P234-I303 HydrophobicContact CB-CD1 4.42Å; P234-I303 HydrophobicContact CG-CD1 4.03Å; P234-I303 HydrophobicContact CG-CG1 4.29Å; I303-L448 HydrophobicContact CB-CD2 3.73Å; I303-L448 HydrophobicContact CG1-CD2 4.23Å; I303-L448 HydrophobicContact CG2-CD2 3.72Å; I303-M450 HydrophobicContact CG2-CE 4.39Å; I303-M450 HydrophobicContact CG2-CG 3.87Å; I303-V456 HydrophobicContact CD1-CG1 4.17Å; I303-V456 HydrophobicContact CG1-CG1 4.14Å
304	H	95.3	Very high	93.3	Very high	114 Å²	114	46.6 Å²	46.6	53%	0.528	23%	0.225	S	C	.	.			trans	-77	-16.3	-177	62.3	-62.9	0	0	0	114.7	Y302 P306 Y345 E347 P348	Y302-H304 HydrophobicContact CD1-CB 4.38Å; Y302-H304 PolarHBondContact O-N 3.35Å; H304-P306 VanDerWaalsContact O-CD 3.25Å; H304-P306 WeakPolarHBondContact O-CD 3.45Å; H304-Y345 WeakPolarHBondContact CA-OH 3.47Å; H304-Y345 WeakPolarHBondContact O-CE1 3.45Å; H304-Y345 PolarHBondContact O-OH 2.67Å; H304-E347 IonicContact CD2-OE2 3.51Å; H304-E347 PolarHBondContact CD2-OE2 3.08Å; H304-P348 HydrophobicContact CB-CG 4.36Å
305	K	96.9	Very high	95	Very high	87 Å²	87	44.8 Å²	44.8	38%	0.378	21%	0.21	S	C	.	.	S	Bend	trans	-118.8	64.1	179	-75.4	160.3	-173.7	162.1	0	111.8	E347 K451	K305-E347 VanDerWaalsContact CE-CD 3.43Å; K305-E347 WeakPolarHBondContact CE-OE1 3.23Å; K305-E347 WeakPolarHBondContact CE-OE2 3.27Å; K305-E347 WeakPolarHBondContact CG-OE1 3.29Å; K305-E347 IonicContact NZ-OE2 2.67Å; K305-K451 HydrophobicContact CB-CB 4.45Å; K305-K451 PolarHBondContact O-N 2.89Å
306	P	97.9	Very high	96.1	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.045	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-67.7	162.7	172.7	33	-37.1	0	0	0	111.5	H304 L308 K313 Y345 L448	H304-P306 VanDerWaalsContact O-CD 3.25Å; H304-P306 WeakPolarHBondContact O-CD 3.45Å; P306-L308 HydrophobicContact CG-CD2 3.94Å; P306-K313 HydrophobicContact CB-CG 4.26Å; P306-K313 HydrophobicContact CG-CD 4.38Å; P306-K313 HydrophobicContact CG-CG 4.2Å; P306-Y345 HydrophobicContact CG-CD1 4.12Å; P306-Y345 HydrophobicContact CG-CD2 4.43Å; P306-Y345 HydrophobicContact CG-CE1 3.75Å; P306-Y345 HydrophobicContact CG-CE2 4.09Å; P306-Y345 HydrophobicContact CG-CG 4.43Å; P306-L448 HydrophobicContact CB-CD1 3.94Å; P306-L448 HydrophobicContact CB-CD2 4.37Å; P306-L448 HydrophobicContact CB-CG 4.44Å
307	L	98	Very high	96.6	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.115	16%	0.162	C	C	.	.			trans	-70.1	135.3	162.4	-173.7	60.5	0	0	0	108.9	F314 L393 L449 L453	L307-F314 HydrophobicContact CB-CE1 4.33Å; L307-F314 HydrophobicContact CD2-CE1 4.38Å; L307-F314 HydrophobicContact CD2-CZ 4.09Å; L307-F314 HydrophobicContact CG-CE1 4.18Å; L307-F314 HydrophobicContact CG-CZ 4.38Å; L307-L393 HydrophobicContact CD2-CD1 3.91Å; L307-L393 HydrophobicContact CD2-CD2 4.02Å; L307-L449 HydrophobicContact CB-CB 3.9Å; L307-L449 WeakPolarHBondContact CB-O 3.41Å; L307-L449 HydrophobicContact CD2-CB 3.87Å; L307-L449 HydrophobicContact CD2-CD1 3.79Å; L307-L449 PolarHBondContact N-O 3.45Å; L307-L453 HydrophobicContact CD1-CD2 4.25Å; L307-L453 HydrophobicContact CD2-CD2 3.93Å
308	L	97.5	Very high	97	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.346	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.5	179.9	-57.7	-179.9	0	0	0	110.7	P306 L312 K313 Y345	P306-L308 HydrophobicContact CG-CD2 3.94Å; L308-L312 WeakPolarHBondContact CA-O 3.31Å; L308-K313 HydrophobicContact CD2-CB 4.15Å; L308-Y345 HydrophobicContact CD1-CD1 4.04Å; L308-Y345 HydrophobicContact CD1-CG 4.45Å; L308-Y345 HydrophobicContact CD2-CD1 3.88Å; L308-Y345 HydrophobicContact CD2-CG 3.75Å
309	I	95.4	Very high	97.2	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.6	170	-71.7	175.2	0	0	0	106.4	K311 L312 F314 F340 V389 R392 L393	I309-K311 PolarHBondContact O-N 2.92Å; I309-L312 PolarHBondContact N-O 2.96Å; I309-L312 WeakPolarHBondContact O-CB 3.49Å; I309-L312 PolarHBondContact O-N 2.85Å; I309-F314 HydrophobicContact CB-CD1 4.36Å; I309-F314 HydrophobicContact CB-CE1 4.27Å; I309-F314 HydrophobicContact CD1-CD1 4.4Å; I309-F314 HydrophobicContact CD1-CE1 3.7Å; I309-F314 HydrophobicContact CD1-CZ 3.87Å; I309-F314 HydrophobicContact CG1-CD1 4.41Å; I309-F314 HydrophobicContact CG1-CE1 3.82Å; I309-F314 HydrophobicContact CG1-CZ 4.46Å; I309-F340 HydrophobicContact CB-CE1 3.97Å; I309-F340 HydrophobicContact CB-CZ 4.49Å; I309-F340 HydrophobicContact CG2-CE1 3.98Å; I309-F340 HydrophobicContact CG2-CZ 4.33Å; I309-V389 HydrophobicContact CD1-CG1 3.74Å; I309-V389 HydrophobicContact CD1-CG2 4.3Å; I309-R392 VanDerWaalsContact CG2-NH1 3.3Å; I309-L393 HydrophobicContact CD1-CD2 4.46Å
310	D	93.8	Very high	97.3	Very high	74 Å²	74	34.1 Å²	34.1	40%	0.396	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.2	-175.2	-50.1	-38.2	0	0	0	113.7	L312 R384 R392	D310-L312 PolarHBondContact O-N 2.93Å; D310-L312 VanDerWaalsContact O-N 3.17Å; D310-R384 IonicContact OD2-CZ 3.59Å; D310-R384 IonicContact OD2-NH1 2.85Å; D310-R384 PolarHBondContact OD2-NH1 2.92Å; D310-R384 IonicContact OD2-NH2 3.4Å; D310-R384 PolarHBondContact OD2-NH2 3.12Å; D310-R392 IonicContact OD1-CZ 3.19Å; D310-R392 IonicContact OD1-NH1 2.78Å; D310-R392 PolarHBondContact OD1-NH1 3.27Å; D310-R392 IonicContact OD1-NH2 2.71Å; D310-R392 PolarHBondContact OD1-NH2 2.7Å; D310-R392 IonicContact OD2-CZ 3.9Å; D310-R392 IonicContact OD2-NH1 2.82Å; D310-R392 PolarHBondContact OD2-NH1 3.19Å
311	K	96.4	Very high	97.4	Very high	162 Å²	162	34 Å²	34	70%	0.704	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-0.4	-169.2	-52.5	177.3	-177	173.1	0	115	I309 P344 Y345	I309-K311 PolarHBondContact O-N 2.92Å; K311-P344 HydrophobicContact CB-CB 4.38Å; K311-Y345 WeakPolarHBondContact O-CB 3.44Å; K311-Y345 PolarHBondContact O-N 2.75Å
312	L	97.3	Very high	97.5	Very high	28 Å²	28	30.9 Å²	30.9	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.2	178.1	-58.1	173.7	0	0	0	110.8	L308 I309 D310 F340 C341	L308-L312 WeakPolarHBondContact CA-O 3.31Å; I309-L312 PolarHBondContact N-O 2.96Å; I309-L312 WeakPolarHBondContact O-CB 3.49Å; I309-L312 PolarHBondContact O-N 2.85Å; D310-L312 PolarHBondContact O-N 2.93Å; D310-L312 VanDerWaalsContact O-N 3.17Å; L312-F340 HydrophobicContact CB-CD1 3.97Å; L312-F340 HydrophobicContact CD1-CB 4.42Å; L312-F340 HydrophobicContact CD1-CD1 4.18Å; L312-C341 WeakPolarHBondContact CD2-O 2.94Å
313	K	98.2	Very high	97.5	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.8	164.6	177.4	-177.6	-179	-177.4	0	108.7	Y302 P306 L308 C341 Y345 H359 T361	Y302-K313 PolarHBondContact OH-NZ 3.42Å; P306-K313 HydrophobicContact CB-CG 4.26Å; P306-K313 HydrophobicContact CG-CD 4.38Å; P306-K313 HydrophobicContact CG-CG 4.2Å; L308-K313 HydrophobicContact CD2-CB 4.15Å; K313-C341 HydrophobicContact CB-CB 4.28Å; K313-C341 WeakPolarHBondContact O-CB 3.31Å; K313-C341 PolarHBondContact O-N 3.09Å; K313-Y345 HydrophobicContact CB-CD2 3.73Å; K313-Y345 HydrophobicContact CB-CE2 4.44Å; K313-Y345 HydrophobicContact CB-CG 4.21Å; K313-Y345 HydrophobicContact CD-CD2 3.99Å; K313-Y345 HydrophobicContact CD-CE2 3.88Å; K313-Y345 HydrophobicContact CG-CD2 4.38Å; K313-H359 PolarHBondContact NZ-O 3.23Å; K313-T361 HydrophobicContact CD-CG2 4.47Å; K313-T361 HydrophobicContact CG-CG2 4.12Å
314	F	98	Very high	97.5	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	163.6	174	73.3	-81.9	0	0	0	111.1	L307 I309 I316 T338 R339 F340 V389 L448 L449	L307-F314 HydrophobicContact CB-CE1 4.33Å; L307-F314 HydrophobicContact CD2-CE1 4.38Å; L307-F314 HydrophobicContact CD2-CZ 4.09Å; L307-F314 HydrophobicContact CG-CE1 4.18Å; L307-F314 HydrophobicContact CG-CZ 4.38Å; I309-F314 HydrophobicContact CB-CD1 4.36Å; I309-F314 HydrophobicContact CB-CE1 4.27Å; I309-F314 HydrophobicContact CD1-CD1 4.4Å; I309-F314 HydrophobicContact CD1-CE1 3.7Å; I309-F314 HydrophobicContact CD1-CZ 3.87Å; I309-F314 HydrophobicContact CG1-CD1 4.41Å; I309-F314 HydrophobicContact CG1-CE1 3.82Å; I309-F314 HydrophobicContact CG1-CZ 4.46Å; F314-I316 HydrophobicContact CE2-CG1 4.31Å; F314-T338 HydrophobicContact CD2-CG2 4.23Å; F314-T338 HydrophobicContact CE2-CG2 4.39Å; F314-R339 CarbonylContact C-O 3.53Å; F314-R339 WeakPolarHBondContact CA-O 3.44Å; F314-R339 WeakPolarHBondContact CB-O 3.19Å; F314-F340 HydrophobicContact CB-CD1 3.8Å; F314-F340 HydrophobicContact CB-CD2 4.16Å; F314-F340 HydrophobicContact CB-CE1 3.86Å; F314-F340 HydrophobicContact CB-CE2 4.18Å; F314-F340 HydrophobicContact CB-CG 3.95Å; F314-F340 HydrophobicContact CB-CZ 4.03Å; F314-F340 HydrophobicContact CD1-CE1 4.23Å; F314-F340 HydrophobicContact CD1-CZ 4.5Å; F314-F340 HydrophobicContact CG-CE1 4.15Å; F314-F340 HydrophobicContact CG-CZ 4.14Å; F314-V389 HydrophobicContact CE2-CG1 3.84Å; F314-V389 HydrophobicContact CZ-CG1 3.96Å; F314-L448 WeakPolarHBondContact O-CD1 3.13Å; F314-L449 HydrophobicContact CZ-CD1 4.49Å
315	D	98.1	Very high	97.5	Very high	2 Å²	2	26 Å²	26	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	173.1	165.2	69.6	27.1	0	0	0	111.8	T338 R339 T361 L458	D315-T338 CarbonylContact O-C 3.59Å; D315-T338 WeakPolarHBondContact O-CA 3.3Å; D315-R339 PolarHBondContact N-O 3.19Å; D315-R339 PolarHBondContact O-N 2.76Å; D315-R339 IonicContact OD1-CZ 3.66Å; D315-R339 VanDerWaalsContact OD1-CZ 3.26Å; D315-R339 IonicContact OD1-NE 2.66Å; D315-R339 PolarHBondContact OD1-NE 3.43Å; D315-R339 IonicContact OD1-NH2 3.43Å; D315-R339 PolarHBondContact OD1-NH2 2.78Å; D315-R339 IonicContact OD2-CZ 3.83Å; D315-R339 IonicContact OD2-NE 3.9Å; D315-R339 IonicContact OD2-NH2 3.95Å; D315-R339 PolarHBondContact OD2-NH2 2.92Å; D315-T361 HydrophobicContact CB-CG2 4.33Å; D315-T361 WeakPolarHBondContact OD2-CB 3.31Å; D315-T361 PolarHBondContact OD2-OG1 3.17Å; D315-L458 HydrophobicContact CB-CD1 4.2Å
316	I	98.4	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.8	179.8	-56.1	168.4	0	0	0	108.2	F314 L318 T338 L386 I407 F445 I447 L449	F314-I316 HydrophobicContact CE2-CG1 4.31Å; I316-L318 HydrophobicContact CG2-CB 4.25Å; I316-T338 HydrophobicContact CG1-CG2 4.02Å; I316-L386 HydrophobicContact CD1-CD1 3.79Å; I316-L386 HydrophobicContact CG1-CD1 3.89Å; I316-L386 HydrophobicContact CG2-CD1 3.82Å; I316-L386 HydrophobicContact CG2-CD2 3.75Å; I316-L386 HydrophobicContact CG2-CG 4.31Å; I316-I407 HydrophobicContact CD1-CD1 4.24Å; I316-F445 VanDerWaalsContact O-O 3.09Å; I316-I447 HydrophobicContact CB-CB 4.38Å; I316-I447 PolarHBondContact N-O 2.85Å; I316-I447 PolarHBondContact O-N 2.97Å; I316-L449 HydrophobicContact CD1-CD1 3.97Å; I316-L449 HydrophobicContact CD1-CD2 4.36Å; I316-L449 HydrophobicContact CD1-CG 3.87Å
317	R	98.3	Very high	97	Very high	24 Å²	24	33 Å²	33	9%	0.091	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	100.4	162.2	170.9	55.5	62.8	74	-5.2	108.7	Y319 G336 L337 F445 D446 N461	R317-Y319 HydrophobicContact CG-CE2 4.27Å; R317-G336 WeakPolarHBondContact O-CA 3.34Å; R317-L337 HydrophobicContact CB-CB 4.3Å; R317-L337 WeakPolarHBondContact CB-O 3.32Å; R317-L337 PolarHBondContact N-O 2.93Å; R317-L337 PolarHBondContact O-N 2.77Å; R317-F445 CarbonylContact C-O 3.59Å; R317-F445 VanDerWaalsContact CA-O 3.31Å; R317-F445 WeakPolarHBondContact CA-O 3.36Å; R317-D446 IonicContact CZ-OD1 3.16Å; R317-D446 IonicContact CZ-OD2 3.35Å; R317-D446 IonicContact NE-OD1 2.7Å; R317-D446 PolarHBondContact NE-OD1 2.94Å; R317-D446 IonicContact NE-OD2 2.79Å; R317-D446 IonicContact NH2-OD1 3.9Å; R317-D446 PolarHBondContact NH2-OD1 2.95Å; R317-D446 IonicContact NH2-OD2 3.75Å; R317-D446 PolarHBondContact NH2-OD2 2.81Å; R317-N461 PolarHBondContact NH2-ND2 2.76Å
318	L	98.7	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	178.5	-178.2	60.6	0	0	0	111	I316 V320 I332 L386 W404 I407 V411 G444 F445 I447	I316-L318 HydrophobicContact CG2-CB 4.25Å; L318-V320 HydrophobicContact CG-CG2 4.41Å; L318-I332 HydrophobicContact CD1-CG2 3.93Å; L318-I332 HydrophobicContact CD2-CG2 3.85Å; L318-I332 HydrophobicContact CG-CG2 4.08Å; L318-L386 HydrophobicContact CD1-CD2 4.34Å; L318-W404 HydrophobicContact CD1-CH2 3.96Å; L318-W404 HydrophobicContact CD1-CZ3 4.27Å; L318-I407 HydrophobicContact CD2-CG2 3.51Å; L318-V411 HydrophobicContact CD2-CG2 4.11Å; L318-G444 CarbonylContact O-C 3.58Å; L318-G444 WeakPolarHBondContact O-CA 3.13Å; L318-F445 HydrophobicContact CB-CB 4.3Å; L318-F445 PolarHBondContact N-O 2.9Å; L318-F445 PolarHBondContact O-N 2.9Å; L318-I447 HydrophobicContact CB-CD1 4.48Å; L318-I447 HydrophobicContact CD2-CD1 4.16Å
319	Y	98.8	Very high	97	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.9	179.1	-67.7	-79	0	0	0	111.7	R317 A333 L337 I442 P464 M466 V490 K491 V494	R317-Y319 HydrophobicContact CG-CE2 4.27Å; Y319-A333 WeakPolarHBondContact O-CB 3.41Å; Y319-A333 PolarHBondContact O-N 3.45Å; Y319-L337 HydrophobicContact CE2-CD1 4.23Å; Y319-L337 HydrophobicContact CE2-CG 4.4Å; Y319-I442 HydrophobicContact CD1-CG2 4.04Å; Y319-P464 HydrophobicContact CE1-CB 4.14Å; Y319-P464 HydrophobicContact CE1-CG 4.31Å; Y319-M466 HydrophobicContact CD1-CE 4.47Å; Y319-M466 HydrophobicContact CD1-SD 4.09Å; Y319-M466 HydrophobicContact CE1-CE 4.21Å; Y319-M466 HydrophobicContact CE1-SD 3.47Å; Y319-M466 WeakPolarHBondContact CE1-SD 3.33Å; Y319-V490 HydrophobicContact CD2-CG1 3.91Å; Y319-V490 HydrophobicContact CE2-CG1 3.85Å; Y319-K491 WeakPolarHBondContact OH-CE 3.33Å; Y319-V494 HydrophobicContact CD2-CG2 4.33Å; Y319-V494 HydrophobicContact CG-CG1 4.33Å; Y319-V494 HydrophobicContact CG-CG2 4.22Å
320	V	98.9	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.2	-175.7	-178.8	0	0	0	0	109.6	L318 I322 I330 Y331 I332 V411 I442 L443 F445	L318-V320 HydrophobicContact CG-CG2 4.41Å; V320-I322 HydrophobicContact CG1-CD1 4.25Å; V320-I330 HydrophobicContact CG1-CG2 3.82Å; V320-Y331 CarbonylContact C-O 3.57Å; V320-Y331 WeakPolarHBondContact CA-O 3.21Å; V320-I332 HydrophobicContact CG1-CG1 4.41Å; V320-I332 HydrophobicContact CG2-CG1 4.27Å; V320-V411 HydrophobicContact CB-CG1 4.38Å; V320-V411 HydrophobicContact CG1-CG1 3.73Å; V320-V411 HydrophobicContact CG2-CG1 3.74Å; V320-V411 HydrophobicContact CG2-CG2 4.17Å; V320-I442 CarbonylContact O-C 3.55Å; V320-I442 WeakPolarHBondContact O-CA 3.25Å; V320-L443 PolarHBondContact N-O 3.21Å; V320-L443 PolarHBondContact O-N 2.94Å; V320-F445 HydrophobicContact CB-CD2 3.81Å; V320-F445 HydrophobicContact CB-CE2 3.82Å; V320-F445 HydrophobicContact CG1-CE2 4.1Å; V320-F445 HydrophobicContact CG2-CD2 3.4Å; V320-F445 HydrophobicContact CG2-CE2 3.77Å; V320-F445 HydrophobicContact CG2-CG 4.13Å
321	L	98.8	Very high	97.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.2	174.2	168.5	66.3	0	0	0	109.9	K323 Y331 F440 Q441 I442 T498 L501 L548	L321-K323 HydrophobicContact CG-CB 4.38Å; L321-Y331 PolarHBondContact N-O 2.63Å; L321-Y331 PolarHBondContact O-N 2.78Å; L321-F440 HydrophobicContact CD1-CB 4.33Å; L321-F440 HydrophobicContact CD1-CD2 4.02Å; L321-Q441 WeakPolarHBondContact CA-O 3.23Å; L321-I442 HydrophobicContact CD1-CG1 4.32Å; L321-T498 HydrophobicContact CD1-CG2 3.83Å; L321-T498 HydrophobicContact CD2-CG2 3.93Å; L321-L501 HydrophobicContact CD2-CD1 3.92Å; L321-L548 HydrophobicContact CB-CD1 4.33Å; L321-L548 HydrophobicContact CB-CD2 4.34Å; L321-L548 HydrophobicContact CD2-CD1 3.84Å
322	I	98.7	Very high	97.5	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.7	161.4	-49.6	-52.8	0	0	0	106.8	F203 M206 V320 V325 I330 V415 F440 Q441 L443	F203-I322 HydrophobicContact CE2-CB 3.9Å; F203-I322 HydrophobicContact CE2-CG2 3.68Å; F203-I322 HydrophobicContact CZ-CG2 3.91Å; M206-I322 HydrophobicContact CE-CG1 4.5Å; V320-I322 HydrophobicContact CG1-CD1 4.25Å; I322-V325 HydrophobicContact CG2-CG1 4.28Å; I322-I330 HydrophobicContact CD1-CG1 4.2Å; I322-I330 HydrophobicContact CD1-CG2 4.33Å; I322-V415 HydrophobicContact CD1-CG1 3.91Å; I322-V415 HydrophobicContact CD1-CG2 3.72Å; I322-F440 CarbonylContact O-C 3.46Å; I322-F440 VanDerWaalsContact O-CA 3.3Å; I322-F440 WeakPolarHBondContact O-CA 3.17Å; I322-Q441 PolarHBondContact N-O 2.85Å; I322-Q441 PolarHBondContact O-N 3.09Å; I322-L443 HydrophobicContact CD1-CD1 4.21Å; I322-L443 HydrophobicContact CG1-CD1 3.71Å; I322-L443 HydrophobicContact CG1-CG 4.28Å
323	K	97.8	Very high	97.5	Very high	20 Å²	20	18.3 Å²	18.3	9%	0.087	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-31.3	-178.8	170.2	165	168.7	-74.3	0	112.3	L321 E329 Y331 L501 M502	L321-K323 HydrophobicContact CG-CB 4.38Å; K323-E329 HydrophobicContact CB-CB 3.92Å; K323-E329 HydrophobicContact CG-CB 4.38Å; K323-E329 PolarHBondContact N-O 2.94Å; K323-E329 IonicContact NZ-OE1 3.52Å; K323-E329 PolarHBondContact NZ-OE1 3.22Å; K323-E329 IonicContact NZ-OE2 3.97Å; K323-E329 PolarHBondContact NZ-OE2 3.11Å; K323-Y331 HydrophobicContact CB-CD2 4.05Å; K323-Y331 HydrophobicContact CB-CE2 3.87Å; K323-Y331 HydrophobicContact CD-CE2 3.75Å; K323-Y331 HydrophobicContact CG-CE2 4.37Å; K323-L501 HydrophobicContact CD-CB 4.46Å; K323-L501 WeakPolarHBondContact CE-O 3.37Å; K323-M502 HydrophobicContact CD-SD 4.06Å; K323-M502 HydrophobicContact CG-SD 3.85Å
324	S	96.4	Very high	97.4	Very high	27 Å²	27	21.1 Å²	21.1	19%	0.189	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154.9	172.6	-176.3	0	0	0	0	110.6	Q326 P327 L328 E329	S324-Q326 PolarHBondContact OG-N 2.38Å; S324-Q326 VanDerWaalsContact OG-N 3.11Å; S324-Q326 PolarHBondContact OG-O 2.56Å; S324-P327 CarbonylContact C-O 3.56Å; S324-P327 WeakPolarHBondContact CB-O 3.15Å; S324-P327 PolarHBondContact OG-O 2.5Å; S324-P327 VanDerWaalsContact OG-O 3.14Å; S324-L328 WeakPolarHBondContact O-CA 3.38Å; S324-E329 PolarHBondContact O-N 2.94Å
325	V	95.2	Very high	97.3	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-12.7	170.3	-66.7	0	0	0	0	112.6	F203 I322 P327 L419 L422 K423 Y426	F203-V325 HydrophobicContact CD1-CG1 4.13Å; F203-V325 HydrophobicContact CE1-CB 4.42Å; F203-V325 HydrophobicContact CE1-CG1 3.71Å; F203-V325 HydrophobicContact CE1-CG2 4.01Å; F203-V325 HydrophobicContact CZ-CG1 4.03Å; I322-V325 HydrophobicContact CG2-CG1 4.28Å; V325-P327 CarbonylContact C-O 3.54Å; V325-L419 HydrophobicContact CB-CD1 3.77Å; V325-L419 HydrophobicContact CG1-CD1 3.81Å; V325-L422 HydrophobicContact CG1-CD2 3.76Å; V325-K423 WeakPolarHBondContact O-CE 3.24Å; V325-K423 PolarHBondContact O-NZ 3.12Å; V325-K423 VanDerWaalsContact O-NZ 3.13Å; V325-Y426 HydrophobicContact CG2-CD1 4.49Å; V325-Y426 HydrophobicContact CG2-CG 4.45Å
326	Q	89.8	Confident	97.2	Very high	147 Å²	147	22.6 Å²	22.6	69%	0.687	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-153.3	102.2	-178.8	-171.3	141.5	-43.1	0	0	111.2	S324	S324-Q326 PolarHBondContact OG-N 2.38Å; S324-Q326 VanDerWaalsContact OG-N 3.11Å; S324-Q326 PolarHBondContact OG-O 2.56Å
327	P	94.3	Very high	97.2	Very high	93 Å²	93	23 Å²	23	60%	0.604	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	cis	-59.2	156.2	-12.5	29.7	-36.4	0	0	0	111.4	S324 V325 E329	S324-P327 CarbonylContact C-O 3.56Å; S324-P327 WeakPolarHBondContact CB-O 3.15Å; S324-P327 PolarHBondContact OG-O 2.5Å; S324-P327 VanDerWaalsContact OG-O 3.14Å; V325-P327 CarbonylContact C-O 3.54Å; P327-E329 PolarHBondContact O-N 2.84Å
328	L	97.1	Very high	97.1	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.8	175.9	-179.7	63.6	0	0	0	109.8	S324 I330 V415 I416 L419 Y552	S324-L328 WeakPolarHBondContact O-CA 3.38Å; L328-I330 HydrophobicContact CD1-CD1 4.33Å; L328-I330 HydrophobicContact CD1-CG1 4.07Å; L328-I330 HydrophobicContact CD2-CD1 4.1Å; L328-I330 HydrophobicContact CG-CD1 4.24Å; L328-I330 HydrophobicContact CG-CG1 4.13Å; L328-V415 HydrophobicContact CD1-CG1 4.1Å; L328-I416 HydrophobicContact CD2-CG1 4.45Å; L328-L419 HydrophobicContact CD1-CD1 4.2Å; L328-L419 HydrophobicContact CD1-CD2 4.06Å; L328-L419 HydrophobicContact CD2-CD2 3.9Å; L328-L419 HydrophobicContact CG-CD2 4.39Å; L328-Y552 HydrophobicContact CB-CD1 3.93Å; L328-Y552 HydrophobicContact CB-CE1 3.96Å; L328-Y552 HydrophobicContact CD2-CD1 3.79Å; L328-Y552 HydrophobicContact CD2-CD2 4.38Å; L328-Y552 HydrophobicContact CD2-CE1 3.81Å; L328-Y552 HydrophobicContact CD2-CE2 4.39Å; L328-Y552 HydrophobicContact CD2-CG 4.09Å; L328-Y552 HydrophobicContact CG-CD1 3.81Å; L328-Y552 HydrophobicContact CG-CE1 4.14Å; L328-Y552 HydrophobicContact CG-CG 4.32Å; L328-Y552 WeakPolarHBondContact O-CD1 3.4Å
329	E	98.3	Very high	97	Very high	28 Å²	28	23.1 Å²	23.1	13%	0.131	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116.2	176	-71.4	-171.4	83.4	0	0	110.6	K323 S324 P327 Y331 Q550 Y552	K323-E329 HydrophobicContact CB-CB 3.92Å; K323-E329 HydrophobicContact CG-CB 4.38Å; K323-E329 PolarHBondContact N-O 2.94Å; K323-E329 IonicContact NZ-OE1 3.52Å; K323-E329 PolarHBondContact NZ-OE1 3.22Å; K323-E329 IonicContact NZ-OE2 3.97Å; K323-E329 PolarHBondContact NZ-OE2 3.11Å; S324-E329 PolarHBondContact O-N 2.94Å; P327-E329 PolarHBondContact O-N 2.84Å; E329-Y331 HydrophobicContact CB-CE2 4.25Å; E329-Q550 PolarHBondContact OE1-NE2 3.39Å; E329-Y552 WeakPolarHBondContact CA-O 3.49Å
330	I	98.7	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.4	-178.4	-53.1	172.6	0	0	0	108.8	V320 I322 L328 V411 I412 V415 V551 Y552	V320-I330 HydrophobicContact CG1-CG2 3.82Å; I322-I330 HydrophobicContact CD1-CG1 4.2Å; I322-I330 HydrophobicContact CD1-CG2 4.33Å; L328-I330 HydrophobicContact CD1-CD1 4.33Å; L328-I330 HydrophobicContact CD1-CG1 4.07Å; L328-I330 HydrophobicContact CD2-CD1 4.1Å; L328-I330 HydrophobicContact CG-CD1 4.24Å; L328-I330 HydrophobicContact CG-CG1 4.13Å; I330-V411 HydrophobicContact CG2-CG1 4.37Å; I330-I412 HydrophobicContact CD1-CG1 4.42Å; I330-V415 HydrophobicContact CD1-CB 3.74Å; I330-V415 HydrophobicContact CD1-CG1 3.63Å; I330-V415 HydrophobicContact CD1-CG2 4.11Å; I330-V415 HydrophobicContact CG1-CG1 4.16Å; I330-V551 HydrophobicContact CB-CG2 3.97Å; I330-V551 HydrophobicContact CG2-CG2 3.73Å; I330-V551 PolarHBondContact O-N 3.12Å; I330-Y552 HydrophobicContact CD1-CG 4.35Å; I330-Y552 PolarHBondContact N-O 3.11Å; I330-Y552 PolarHBondContact O-N 2.93Å
331	Y	98.8	Very high	96.8	Very high	15 Å²	15	23.2 Å²	23.2	6%	0.059	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.1	173.8	-66.9	-113.2	0	0	0	109.7	V320 L321 K323 E329 L501 L548 K549 Q550	V320-Y331 CarbonylContact C-O 3.57Å; V320-Y331 WeakPolarHBondContact CA-O 3.21Å; L321-Y331 PolarHBondContact N-O 2.63Å; L321-Y331 PolarHBondContact O-N 2.78Å; K323-Y331 HydrophobicContact CB-CD2 4.05Å; K323-Y331 HydrophobicContact CB-CE2 3.87Å; K323-Y331 HydrophobicContact CD-CE2 3.75Å; K323-Y331 HydrophobicContact CG-CE2 4.37Å; E329-Y331 HydrophobicContact CB-CE2 4.25Å; Y331-L501 HydrophobicContact CD1-CD1 3.57Å; Y331-L501 HydrophobicContact CD1-CD2 4.42Å; Y331-L501 HydrophobicContact CE1-CD1 3.66Å; Y331-L501 HydrophobicContact CE1-CD2 3.67Å; Y331-L501 HydrophobicContact CE1-CG 4.33Å; Y331-L501 HydrophobicContact CG-CD1 4.12Å; Y331-L548 HydrophobicContact CD1-CB 4.43Å; Y331-K549 CarbonylContact C-O 3.6Å; Y331-K549 VanDerWaalsContact CA-O 3.28Å; Y331-K549 WeakPolarHBondContact CA-O 3.36Å; Y331-Q550 HydrophobicContact CD1-CB 3.82Å; Y331-Q550 HydrophobicContact CD1-CG 4.36Å; Y331-Q550 HydrophobicContact CD2-CG 4.26Å; Y331-Q550 HydrophobicContact CE1-CB 3.58Å; Y331-Q550 HydrophobicContact CE1-CG 3.99Å; Y331-Q550 HydrophobicContact CE2-CB 4.34Å; Y331-Q550 HydrophobicContact CE2-CG 3.85Å; Y331-Q550 HydrophobicContact CG-CB 4.31Å; Y331-Q550 HydrophobicContact CG-CG 4.48Å; Y331-Q550 PolarHBondContact OH-NE2 2.9Å; Y331-Q550 VanDerWaalsContact OH-NE2 3.15Å
332	I	98.6	Very high	96.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	176.6	-60.7	-177.3	0	0	0	108.6	L318 V320 W404 I408 V411 K549 V551	L318-I332 HydrophobicContact CD1-CG2 3.93Å; L318-I332 HydrophobicContact CD2-CG2 3.85Å; L318-I332 HydrophobicContact CG-CG2 4.08Å; V320-I332 HydrophobicContact CG1-CG1 4.41Å; V320-I332 HydrophobicContact CG2-CG1 4.27Å; I332-W404 HydrophobicContact CG2-CH2 3.98Å; I332-W404 HydrophobicContact CG2-CZ2 4.09Å; I332-I408 HydrophobicContact CD1-CB 4.43Å; I332-I408 HydrophobicContact CD1-CG1 4.14Å; I332-I408 HydrophobicContact CD1-CG2 4.47Å; I332-V411 HydrophobicContact CD1-CB 3.71Å; I332-V411 HydrophobicContact CD1-CG1 3.61Å; I332-V411 HydrophobicContact CD1-CG2 4.05Å; I332-V411 HydrophobicContact CG1-CG1 4.02Å; I332-K549 PolarHBondContact N-O 3.17Å; I332-K549 PolarHBondContact O-N 2.76Å; I332-V551 HydrophobicContact CB-CG1 4.32Å; I332-V551 HydrophobicContact CD1-CG1 4.03Å; I332-V551 HydrophobicContact CD1-CG2 3.84Å; I332-V551 HydrophobicContact CG1-CG1 4.1Å; I332-V551 HydrophobicContact CG1-CG2 3.85Å
333	A	98.4	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.6	171.4	0	0	0	0	0	110	Y319 E335 W404 V494 L548	Y319-A333 WeakPolarHBondContact O-CB 3.41Å; Y319-A333 PolarHBondContact O-N 3.45Å; A333-E335 WeakPolarHBondContact CB-O 3.17Å; A333-E335 PolarHBondContact O-N 3.35Å; A333-W404 WeakPolarHBondContact O-CH2 3.1Å; A333-V494 HydrophobicContact CB-CG2 3.86Å; A333-L548 HydrophobicContact CB-CD2 4Å
334	K	95.4	Very high	96.6	Very high	69 Å²	69	27.6 Å²	27.6	30%	0.3	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	-23.3	168.8	-75.3	174.6	-178.7	176.4	0	113.3	C547 K549	K334-C547 WeakPolarHBondContact CG-O 3.21Å; K334-C547 PolarHBondContact N-O 2.91Å; K334-K549 HydrophobicContact CG-CG 4.39Å
335	E	95.4	Very high	96.6	Very high	34 Å²	34	27.4 Å²	27.4	16%	0.159	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.2	-166.6	-171	56.5	-92.1	0	0	110.7	A333 L386 S387 V490	A333-E335 WeakPolarHBondContact CB-O 3.17Å; A333-E335 PolarHBondContact O-N 3.35Å; E335-L386 WeakPolarHBondContact OE1-CA 3.42Å; E335-L386 VanDerWaalsContact OE1-CB 3.3Å; E335-L386 WeakPolarHBondContact OE1-CB 3.18Å; E335-L386 PolarHBondContact OE1-N 2.66Å; E335-S387 PolarHBondContact OE1-N 3.05Å; E335-S387 WeakPolarHBondContact OE2-CB 3.4Å; E335-S387 PolarHBondContact OE2-OG 2.9Å; E335-V490 HydrophobicContact CG-CG1 4.3Å; E335-V490 HydrophobicContact CG-CG2 3.65Å
336	G	96.9	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-172.1	178.6	0	0	0	0	0	111.2	R317 L386	R317-G336 WeakPolarHBondContact O-CA 3.34Å; G336-L386 PolarHBondContact O-N 3.26Å
337	L	97.1	Very high	97	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.7	177.8	-60.2	167	0	0	0	108.6	R317 Y319 V486 D487 V490	R317-L337 HydrophobicContact CB-CB 4.3Å; R317-L337 WeakPolarHBondContact CB-O 3.32Å; R317-L337 PolarHBondContact N-O 2.93Å; R317-L337 PolarHBondContact O-N 2.77Å; Y319-L337 HydrophobicContact CE2-CD1 4.23Å; Y319-L337 HydrophobicContact CE2-CG 4.4Å; L337-V486 HydrophobicContact CD2-CG1 3.87Å; L337-D487 WeakPolarHBondContact CD1-OD1 3.35Å; L337-V490 HydrophobicContact CD2-CB 4.28Å; L337-V490 HydrophobicContact CD2-CG2 3.97Å
338	T	97.3	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.9	168.7	51.9	0	0	0	0	109.7	F314 D315 I316 K383 R384 L386 V389	F314-T338 HydrophobicContact CD2-CG2 4.23Å; F314-T338 HydrophobicContact CE2-CG2 4.39Å; D315-T338 CarbonylContact O-C 3.59Å; D315-T338 WeakPolarHBondContact O-CA 3.3Å; I316-T338 HydrophobicContact CG1-CG2 4.02Å; T338-K383 WeakPolarHBondContact O-CA 3.32Å; T338-R384 PolarHBondContact N-O 2.96Å; T338-R384 PolarHBondContact O-N 2.75Å; T338-R384 WeakPolarHBondContact OG1-CB 3.36Å; T338-R384 PolarHBondContact OG1-O 2.95Å; T338-L386 HydrophobicContact CG2-CB 4.42Å; T338-L386 HydrophobicContact CG2-CD1 3.94Å; T338-V389 HydrophobicContact CG2-CB 4.09Å; T338-V389 HydrophobicContact CG2-CG1 4.37Å; T338-V389 HydrophobicContact CG2-CG2 3.89Å; T338-V389 WeakPolarHBondContact OG1-CG2 3.37Å
339	R	96.5	Very high	96.9	Very high	26 Å²	26	27.9 Å²	27.9	10%	0.098	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	-173.8	-55.1	177	-61.3	-163.9	4.1	109.4	F314 D315 T361 D446	F314-R339 CarbonylContact C-O 3.53Å; F314-R339 WeakPolarHBondContact CA-O 3.44Å; F314-R339 WeakPolarHBondContact CB-O 3.19Å; D315-R339 PolarHBondContact N-O 3.19Å; D315-R339 PolarHBondContact O-N 2.76Å; D315-R339 IonicContact OD1-CZ 3.66Å; D315-R339 VanDerWaalsContact OD1-CZ 3.26Å; D315-R339 IonicContact OD1-NE 2.66Å; D315-R339 PolarHBondContact OD1-NE 3.43Å; D315-R339 IonicContact OD1-NH2 3.43Å; D315-R339 PolarHBondContact OD1-NH2 2.78Å; D315-R339 IonicContact OD2-CZ 3.83Å; D315-R339 IonicContact OD2-NE 3.9Å; D315-R339 IonicContact OD2-NH2 3.95Å; D315-R339 PolarHBondContact OD2-NH2 2.92Å; R339-T361 WeakPolarHBondContact CB-O 3.3Å; R339-D446 IonicContact CZ-OD2 2.67Å; R339-D446 IonicContact NH1-OD2 3.26Å; R339-D446 PolarHBondContact NH1-OD2 2.65Å; R339-D446 VanDerWaalsContact NH1-OD2 3.16Å; R339-D446 IonicContact NH2-OD2 3.91Å; R339-D446 PolarHBondContact NH2-OD2 2.72Å
340	F	97.1	Very high	96.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141	-174.6	-71.5	-105.6	0	0	0	111.1	I309 L312 F314 S382 R384 V389	I309-F340 HydrophobicContact CB-CE1 3.97Å; I309-F340 HydrophobicContact CB-CZ 4.49Å; I309-F340 HydrophobicContact CG2-CE1 3.98Å; I309-F340 HydrophobicContact CG2-CZ 4.33Å; L312-F340 HydrophobicContact CB-CD1 3.97Å; L312-F340 HydrophobicContact CD1-CB 4.42Å; L312-F340 HydrophobicContact CD1-CD1 4.18Å; F314-F340 HydrophobicContact CB-CD1 3.8Å; F314-F340 HydrophobicContact CB-CD2 4.16Å; F314-F340 HydrophobicContact CB-CE1 3.86Å; F314-F340 HydrophobicContact CB-CE2 4.18Å; F314-F340 HydrophobicContact CB-CG 3.95Å; F314-F340 HydrophobicContact CB-CZ 4.03Å; F314-F340 HydrophobicContact CD1-CE1 4.23Å; F314-F340 HydrophobicContact CD1-CZ 4.5Å; F314-F340 HydrophobicContact CG-CE1 4.15Å; F314-F340 HydrophobicContact CG-CZ 4.14Å; F340-S382 PolarHBondContact N-O 2.72Å; F340-R384 HydrophobicContact CE2-CB 4.22Å; F340-R384 HydrophobicContact CE2-CG 4.09Å; F340-V389 HydrophobicContact CE2-CG2 4.38Å; F340-V389 HydrophobicContact CZ-CG2 4.09Å
341	C	97	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.			trans	-59.5	154.3	158.1	-75.2	0	0	0	0	110.6	L312 K313 F357 M358 L360 N366	L312-C341 WeakPolarHBondContact CD2-O 2.94Å; K313-C341 HydrophobicContact CB-CB 4.28Å; K313-C341 WeakPolarHBondContact O-CB 3.31Å; K313-C341 PolarHBondContact O-N 3.09Å; C341-F357 WeakPolarHBondContact CB-O 3.43Å; C341-M358 PolarHBondContact SG-O 2.89Å; C341-M358 VanDerWaalsContact SG-O 3.33Å; C341-L360 VanDerWaalsContact SG-C 3.58Å; C341-L360 PolarHBondContact SG-O 3.16Å; C341-N366 WeakPolarHBondContact CA-OD1 3.46Å
342	T	95.9	Very high	96.1	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.043	20%	0.199	C	C	.	.	S	Bend	trans	-106.7	-3.6	-179.5	55.1	0	0	0	0	114.7	F357 N366 S369 N371 Y372	T342-F357 PolarHBondContact N-O 2.91Å; T342-N366 HydrophobicContact CG2-CB 4Å; T342-N366 PolarHBondContact N-OD1 3.5Å; T342-N366 VanDerWaalsContact N-OD1 3.12Å; T342-N366 PolarHBondContact OG1-OD1 3.41Å; T342-S369 WeakPolarHBondContact OG1-CB 3.49Å; T342-S369 PolarHBondContact OG1-OG 3.08Å; T342-N371 WeakPolarHBondContact O-CB 3.13Å; T342-N371 PolarHBondContact O-ND2 3.25Å; T342-N371 VanDerWaalsContact O-ND2 3.14Å; T342-Y372 HydrophobicContact CG2-CD2 3.68Å; T342-Y372 HydrophobicContact CG2-CG 4.34Å
343	E	96.4	Very high	95.9	Very high	37 Å²	37	42 Å²	42	17%	0.173	20%	0.204	C	C	.	.	S	Bend	trans	-109.6	142.2	164.2	-81.6	-176.1	-117.2	0	0	111	Y345 R355 F357 M358	E343-Y345 PolarHBondContact O-N 3.47Å; E343-R355 IonicContact OE2-CZ 2.71Å; E343-R355 IonicContact OE2-NH1 2.66Å; E343-R355 PolarHBondContact OE2-NH1 2.87Å; E343-F357 HydrophobicContact CB-CB 4.29Å; E343-F357 HydrophobicContact CG-CB 4.06Å; E343-F357 PolarHBondContact N-O 2.9Å; E343-F357 VanDerWaalsContact N-O 3.15Å; E343-M358 HydrophobicContact CB-CB 3.79Å; E343-M358 HydrophobicContact CB-CE 4.2Å; E343-M358 WeakPolarHBondContact OE2-CE 3.39Å
344	P	97.3	Very high	95.6	Very high	73 Å²	73	46.9 Å²	46.9	47%	0.474	24%	0.237	S	C	.	.			trans	-54.3	132.1	171.6	-27	35.8	0	0	0	112.7	K311 M358	K311-P344 HydrophobicContact CB-CB 4.38Å; P344-M358 WeakPolarHBondContact O-CE 3.47Å
345	Y	98.1	Very high	95.5	Very high	23 Å²	23	49.4 Å²	49.4	9%	0.09	25%	0.245	C	C	.	.			trans	-70	138.8	-175	-172.9	-99.4	0	0	0	112.6	Y302 H304 P306 L308 K311 K313 E343 E347 M358 H359	Y302-Y345 WeakPolarHBondContact CE1-OH 3.28Å; H304-Y345 WeakPolarHBondContact CA-OH 3.47Å; H304-Y345 WeakPolarHBondContact O-CE1 3.45Å; H304-Y345 PolarHBondContact O-OH 2.67Å; P306-Y345 HydrophobicContact CG-CD1 4.12Å; P306-Y345 HydrophobicContact CG-CD2 4.43Å; P306-Y345 HydrophobicContact CG-CE1 3.75Å; P306-Y345 HydrophobicContact CG-CE2 4.09Å; P306-Y345 HydrophobicContact CG-CG 4.43Å; L308-Y345 HydrophobicContact CD1-CD1 4.04Å; L308-Y345 HydrophobicContact CD1-CG 4.45Å; L308-Y345 HydrophobicContact CD2-CD1 3.88Å; L308-Y345 HydrophobicContact CD2-CG 3.75Å; K311-Y345 WeakPolarHBondContact O-CB 3.44Å; K311-Y345 PolarHBondContact O-N 2.75Å; K313-Y345 HydrophobicContact CB-CD2 3.73Å; K313-Y345 HydrophobicContact CB-CE2 4.44Å; K313-Y345 HydrophobicContact CB-CG 4.21Å; K313-Y345 HydrophobicContact CD-CD2 3.99Å; K313-Y345 HydrophobicContact CD-CE2 3.88Å; K313-Y345 HydrophobicContact CG-CD2 4.38Å; E343-Y345 PolarHBondContact O-N 3.47Å; Y345-E347 HydrophobicContact CE1-CG 4.41Å; Y345-M358 WeakPolarHBondContact CD2-O 3.2Å; Y345-H359 AromaticContact CE2-CE1 3.93Å; Y345-H359 AromaticContact CE2-ND1 3.69Å
346	Q	97.3	Very high	95.3	Very high	112 Å²	112	50 Å²	50	52%	0.523	25%	0.251	S	S	.	.			trans	-129.5	147.3	166.8	-59.9	-179	9.9	0	0	108.1	M358 H359	Q346-M358 HydrophobicContact CB-SD 4.38Å; Q346-H359 PolarHBondContact O-CE1 2.78Å
347	E	95.7	Very high	95.2	Very high	98 Å²	98	52.5 Å²	52.5	46%	0.458	26%	0.262	S	S	.	.			trans	-60	148.5	172	-62.2	-159.8	-164.3	0	0	109.8	H304 K305 Y345 N352	H304-E347 IonicContact CD2-OE2 3.51Å; H304-E347 PolarHBondContact CD2-OE2 3.08Å; K305-E347 VanDerWaalsContact CE-CD 3.43Å; K305-E347 WeakPolarHBondContact CE-OE1 3.23Å; K305-E347 WeakPolarHBondContact CE-OE2 3.27Å; K305-E347 WeakPolarHBondContact CG-OE1 3.29Å; K305-E347 IonicContact NZ-OE2 2.67Å; Y345-E347 HydrophobicContact CE1-CG 4.41Å; E347-N352 PolarHBondContact O-ND2 2.81Å
348	P	94.9	Very high	95.2	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.071	26%	0.26	C	S	.	.			trans	-59.6	146.1	-174.8	-25.6	34.8	0	0	0	113.5	T263 R281 Y302 H304 N352 L353	T263-P348 HydrophobicContact CG2-CB 3.8Å; T263-P348 HydrophobicContact CG2-CG 4.15Å; R281-P348 VanDerWaalsContact NH2-C 3.34Å; R281-P348 PolarHBondContact NH2-O 2.97Å; Y302-P348 HydrophobicContact CD1-CG 3.53Å; Y302-P348 HydrophobicContact CE1-CG 3.38Å; H304-P348 HydrophobicContact CB-CG 4.36Å; P348-N352 WeakPolarHBondContact CA-OD1 3.46Å; P348-L353 HydrophobicContact CB-CD2 3.97Å
349	S	93	Very high	95.1	Very high	39 Å²	39	52.3 Å²	52.3	27%	0.273	26%	0.261	S	S	.	.			trans	-155.1	161.2	172.9	68	0	0	0	0	109.1	K351 N352 L353	S349-K351 PolarHBondContact O-N 2.72Å; S349-N352 PolarHBondContact N-OD1 3.08Å; S349-N352 PolarHBondContact O-N 2.91Å; S349-N352 PolarHBondContact O-OD1 2.78Å; S349-N352 VanDerWaalsContact O-OD1 3.12Å; S349-N352 PolarHBondContact OG-ND2 3.5Å; S349-L353 WeakPolarHBondContact O-CG 3.47Å; S349-L353 PolarHBondContact O-N 3.21Å
350	Q	90.6	Very high	95	Very high	126 Å²	126	51.7 Å²	51.7	59%	0.589	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.4	178.7	-154.2	66	9.4	0	0	113.4
351	K	93.8	Very high	94.9	Very high	191 Å²	191	52 Å²	52	83%	0.83	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.4	177.4	-62.3	-179.9	-179.6	180	0	114.3	S349	S349-K351 PolarHBondContact O-N 2.72Å
352	N	95.3	Very high	94.6	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-1.5	-174.6	72.5	25.5	0	0	0	115.6	E347 P348 S349 S354 R355 M358 H359	E347-N352 PolarHBondContact O-ND2 2.81Å; P348-N352 WeakPolarHBondContact CA-OD1 3.46Å; S349-N352 PolarHBondContact N-OD1 3.08Å; S349-N352 PolarHBondContact O-N 2.91Å; S349-N352 PolarHBondContact O-OD1 2.78Å; S349-N352 VanDerWaalsContact O-OD1 3.12Å; S349-N352 PolarHBondContact OG-ND2 3.5Å; N352-S354 PolarHBondContact O-N 2.68Å; N352-R355 HydrophobicContact CB-CG 4.45Å; N352-R355 WeakPolarHBondContact O-CB 3.27Å; N352-R355 PolarHBondContact O-N 2.94Å; N352-M358 HydrophobicContact CB-SD 4.19Å; N352-H359 VanDerWaalsContact CB-NE2 3.27Å; N352-H359 WeakPolarHBondContact CB-NE2 3.28Å; N352-H359 PolarHBondContact O-CD2 2.94Å; N352-H359 VanDerWaalsContact O-CD2 3.32Å; N352-H359 PolarHBondContact O-NE2 2.8Å; N352-H359 PolarHBondContact OD1-NE2 2.77Å
353	L	93.6	Very high	94.2	Very high	22 Å²	22	55.9 Å²	55.9	12%	0.115	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.1	178.5	-60.9	-169.3	0	0	0	113.9	T263 L279 R281 P348 S349	T263-L353 HydrophobicContact CG2-CD2 3.94Å; L279-L353 HydrophobicContact CB-CB 4.16Å; L279-L353 HydrophobicContact CB-CD2 4.05Å; L279-L353 HydrophobicContact CD1-CD2 4.25Å; R281-L353 HydrophobicContact CG-CD1 4.08Å; P348-L353 HydrophobicContact CB-CD2 3.97Å; S349-L353 WeakPolarHBondContact O-CG 3.47Å; S349-L353 PolarHBondContact O-N 3.21Å
354	S	93	Very high	93.7	Very high	101 Å²	101	55.7 Å²	55.7	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.3	178	52.8	0	0	0	0	114.8	N352 V356	N352-S354 PolarHBondContact O-N 2.68Å; S354-V356 VanDerWaalsContact C-N 3.31Å; S354-V356 PolarHBondContact O-N 2.88Å
355	R	93.4	Very high	93.3	Very high	122 Å²	122	53.8 Å²	53.8	46%	0.46	27%	0.265	S	S	.	.			trans	-80.9	76.8	-179	-66	-171.1	175.1	-126.8	3.7	111.1	E343 N352 F357 M358 H359	E343-R355 IonicContact OE2-CZ 2.71Å; E343-R355 IonicContact OE2-NH1 2.66Å; E343-R355 PolarHBondContact OE2-NH1 2.87Å; N352-R355 HydrophobicContact CB-CG 4.45Å; N352-R355 WeakPolarHBondContact O-CB 3.27Å; N352-R355 PolarHBondContact O-N 2.94Å; R355-F357 PolarHBondContact O-N 3.35Å; R355-M358 HydrophobicContact CB-CE 4.21Å; R355-M358 HydrophobicContact CB-CG 3.73Å; R355-M358 HydrophobicContact CB-SD 3.95Å; R355-M358 VanDerWaalsContact CD-CE 3.49Å; R355-M358 WeakPolarHBondContact O-CG 3.33Å; R355-M358 PolarHBondContact O-N 2.74Å; R355-H359 PolarHBondContact O-CD2 2.87Å; R355-H359 PolarHBondContact O-N 2.94Å
356	V	92.2	Very high	93	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-57.1	-34.7	-176.4	-66.4	0	0	0	0	113	S354 M358 H359 L360 L365	S354-V356 VanDerWaalsContact C-N 3.31Å; S354-V356 PolarHBondContact O-N 2.88Å; V356-M358 VanDerWaalsContact C-N 3.3Å; V356-M358 PolarHBondContact O-N 2.79Å; V356-H359 PolarHBondContact O-N 3.02Å; V356-L360 HydrophobicContact CB-CD1 4.19Å; V356-L360 HydrophobicContact CG1-CD1 4.17Å; V356-L360 WeakPolarHBondContact O-CB 3.48Å; V356-L360 PolarHBondContact O-N 3.17Å; V356-L365 HydrophobicContact CB-CD1 4.42Å; V356-L365 HydrophobicContact CB-CD2 3.79Å; V356-L365 HydrophobicContact CG2-CD1 3.9Å; V356-L365 HydrophobicContact CG2-CD2 3.97Å; V356-L365 HydrophobicContact CG2-CG 4.42Å
357	F	94	Very high	92.5	Very high	52 Å²	52	49.6 Å²	49.6	23%	0.228	25%	0.25	C	C	.	.	H	α-helix	trans	-69.8	-13.8	-178.8	-61.2	-55.8	0	0	0	115.7	C341 T342 E343 R355 L365	C341-F357 WeakPolarHBondContact CB-O 3.43Å; T342-F357 PolarHBondContact N-O 2.91Å; E343-F357 HydrophobicContact CB-CB 4.29Å; E343-F357 HydrophobicContact CG-CB 4.06Å; E343-F357 PolarHBondContact N-O 2.9Å; E343-F357 VanDerWaalsContact N-O 3.15Å; R355-F357 PolarHBondContact O-N 3.35Å; F357-L365 HydrophobicContact CD1-CD2 4.31Å; F357-L365 HydrophobicContact CD1-CG 4.08Å; F357-L365 HydrophobicContact CE1-CD1 4.18Å; F357-L365 HydrophobicContact CE1-CG 3.95Å
358	M	95.9	Very high	92	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-99.8	-25.5	168.9	58.5	173.9	59.6	0	0	113	C341 E343 P344 Y345 Q346 N352 R355 V356	C341-M358 PolarHBondContact SG-O 2.89Å; C341-M358 VanDerWaalsContact SG-O 3.33Å; E343-M358 HydrophobicContact CB-CB 3.79Å; E343-M358 HydrophobicContact CB-CE 4.2Å; E343-M358 WeakPolarHBondContact OE2-CE 3.39Å; P344-M358 WeakPolarHBondContact O-CE 3.47Å; Y345-M358 WeakPolarHBondContact CD2-O 3.2Å; Q346-M358 HydrophobicContact CB-SD 4.38Å; N352-M358 HydrophobicContact CB-SD 4.19Å; R355-M358 HydrophobicContact CB-CE 4.21Å; R355-M358 HydrophobicContact CB-CG 3.73Å; R355-M358 HydrophobicContact CB-SD 3.95Å; R355-M358 VanDerWaalsContact CD-CE 3.49Å; R355-M358 WeakPolarHBondContact O-CG 3.33Å; R355-M358 PolarHBondContact O-N 2.74Å; V356-M358 VanDerWaalsContact C-N 3.3Å; V356-M358 PolarHBondContact O-N 2.79Å
359	H	96.3	Very high	91.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-98.6	-26	-172.9	-68.9	-49.5	0	0	0	114.2	L279 Y302 K313 Y345 Q346 N352 R355 V356	L279-H359 HydrophobicContact CD1-CB 4.07Å; Y302-H359 AromaticContact CZ-ND1 3.76Å; Y302-H359 PolarHBondContact OH-ND1 3.02Å; K313-H359 PolarHBondContact NZ-O 3.23Å; Y345-H359 AromaticContact CE2-CE1 3.93Å; Y345-H359 AromaticContact CE2-ND1 3.69Å; Q346-H359 PolarHBondContact O-CE1 2.78Å; N352-H359 VanDerWaalsContact CB-NE2 3.27Å; N352-H359 WeakPolarHBondContact CB-NE2 3.28Å; N352-H359 PolarHBondContact O-CD2 2.94Å; N352-H359 VanDerWaalsContact O-CD2 3.32Å; N352-H359 PolarHBondContact O-NE2 2.8Å; N352-H359 PolarHBondContact OD1-NE2 2.77Å; R355-H359 PolarHBondContact O-CD2 2.87Å; R355-H359 PolarHBondContact O-N 2.94Å; V356-H359 PolarHBondContact O-N 3.02Å
360	L	95.1	Very high	91.4	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	29%	0.294	C	S	.	.			trans	-116.4	128.5	-176.5	-56.1	-177.2	0	0	0	111	I265 I277 C341 V356 L365 N366	I265-L360 HydrophobicContact CD1-CD2 3.94Å; I277-L360 HydrophobicContact CB-CD1 4.21Å; I277-L360 HydrophobicContact CG2-CD1 4.06Å; I277-L360 HydrophobicContact CG2-CD2 3.81Å; C341-L360 VanDerWaalsContact SG-C 3.58Å; C341-L360 PolarHBondContact SG-O 3.16Å; V356-L360 HydrophobicContact CB-CD1 4.19Å; V356-L360 HydrophobicContact CG1-CD1 4.17Å; V356-L360 WeakPolarHBondContact O-CB 3.48Å; V356-L360 PolarHBondContact O-N 3.17Å; L360-L365 HydrophobicContact CB-CD2 3.74Å; L360-L365 HydrophobicContact CD1-CD2 4.26Å; L360-N366 PolarHBondContact O-ND2 3.05Å
361	T	94.2	Very high	91.4	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.043	29%	0.291	C	S	.	.			trans	-94.7	4.4	-173.9	38.4	0	0	0	0	113.4	K313 D315 R339 Y363	K313-T361 HydrophobicContact CD-CG2 4.47Å; K313-T361 HydrophobicContact CG-CG2 4.12Å; D315-T361 HydrophobicContact CB-CG2 4.33Å; D315-T361 WeakPolarHBondContact OD2-CB 3.31Å; D315-T361 PolarHBondContact OD2-OG1 3.17Å; R339-T361 WeakPolarHBondContact CB-O 3.3Å; T361-Y363 PolarHBondContact O-N 2.74Å
362	N	91.6	Very high	91.2	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.107	26%	0.257	C	S	.	.			trans	-64.4	127.4	-176.5	-59.6	88	0	0	0	111.3	S364 L365 N366	N362-S364 PolarHBondContact O-N 3.19Å; N362-L365 HydrophobicContact CB-CB 4.29Å; N362-L365 PolarHBondContact O-N 2.69Å; N362-N366 PolarHBondContact O-N 2.91Å; N362-N366 PolarHBondContact O-ND2 2.98Å
363	Y	87.6	Confident	90.9	Very high	70 Å²	70	49.2 Å²	49.2	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-55.1	-48.5	178	170	-96.8	0	0	0	112.5	T361 L365 N366 V367 Y372 H470	T361-Y363 PolarHBondContact O-N 2.74Å; Y363-L365 PolarHBondContact O-N 3.41Å; Y363-N366 PolarHBondContact O-N 2.94Å; Y363-V367 HydrophobicContact CE1-CB 4.48Å; Y363-V367 HydrophobicContact CE1-CG1 4.41Å; Y363-V367 HydrophobicContact CE2-CB 4.24Å; Y363-V367 HydrophobicContact CE2-CG2 4.28Å; Y363-V367 WeakPolarHBondContact O-CB 3.26Å; Y363-V367 WeakPolarHBondContact O-CG1 3.41Å; Y363-V367 PolarHBondContact O-N 3.28Å; Y363-Y372 HydrophobicContact CD2-CE2 4.49Å; Y363-Y372 AromaticContact CD2-CZ 3.93Å; Y363-Y372 WeakPolarHBondContact CD2-OH 3.15Å; Y363-Y372 HydrophobicContact CE2-CE1 4.13Å; Y363-Y372 AromaticContact CE2-CZ 3.85Å; Y363-Y372 WeakPolarHBondContact CE2-OH 3.41Å; Y363-H470 WeakPolarHBondContact OH-CB 3.28Å
364	S	85.4	Confident	90.4	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-27	179.2	34.9	0	0	0	0	114.6	Q273 N362 Q368	Q273-S364 WeakPolarHBondContact CA-OG 3.26Å; Q273-S364 WeakPolarHBondContact CB-OG 3.45Å; Q273-S364 PolarHBondContact O-OG 3.19Å; N362-S364 PolarHBondContact O-N 3.19Å; S364-Q368 PolarHBondContact O-NE2 2.85Å
365	L	87.6	Confident	89.9	Confident	33 Å²	33	49 Å²	49	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-83.7	-58	170.5	177.4	77.7	0	0	0	110	V356 F357 L360 N362 Y363 V367 Q368	V356-L365 HydrophobicContact CB-CD1 4.42Å; V356-L365 HydrophobicContact CB-CD2 3.79Å; V356-L365 HydrophobicContact CG2-CD1 3.9Å; V356-L365 HydrophobicContact CG2-CD2 3.97Å; V356-L365 HydrophobicContact CG2-CG 4.42Å; F357-L365 HydrophobicContact CD1-CD2 4.31Å; F357-L365 HydrophobicContact CD1-CG 4.08Å; F357-L365 HydrophobicContact CE1-CD1 4.18Å; F357-L365 HydrophobicContact CE1-CG 3.95Å; L360-L365 HydrophobicContact CB-CD2 3.74Å; L360-L365 HydrophobicContact CD1-CD2 4.26Å; N362-L365 HydrophobicContact CB-CB 4.29Å; N362-L365 PolarHBondContact O-N 2.69Å; Y363-L365 PolarHBondContact O-N 3.41Å; L365-V367 VanDerWaalsContact C-N 3.28Å; L365-V367 PolarHBondContact O-N 3.36Å; L365-Q368 WeakPolarHBondContact O-CB 3.46Å; L365-Q368 PolarHBondContact O-N 3.48Å
366	N	91.6	Very high	89.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-29	-167.8	-75.9	-87.2	0	0	0	113.1	C341 T342 L360 N362 Y363 Q368 S369 Y372	C341-N366 WeakPolarHBondContact CA-OD1 3.46Å; T342-N366 HydrophobicContact CG2-CB 4Å; T342-N366 PolarHBondContact N-OD1 3.5Å; T342-N366 VanDerWaalsContact N-OD1 3.12Å; T342-N366 PolarHBondContact OG1-OD1 3.41Å; L360-N366 PolarHBondContact O-ND2 3.05Å; N362-N366 PolarHBondContact O-N 2.91Å; N362-N366 PolarHBondContact O-ND2 2.98Å; Y363-N366 PolarHBondContact O-N 2.94Å; N366-Q368 PolarHBondContact O-N 3Å; N366-S369 WeakPolarHBondContact O-CB 3.47Å; N366-S369 PolarHBondContact O-N 3.23Å; N366-Y372 VanDerWaalsContact C-CD2 3.43Å; N366-Y372 HydrophobicContact CB-CD2 3.83Å; N366-Y372 HydrophobicContact CB-CE2 4.04Å; N366-Y372 WeakPolarHBondContact O-CB 3.31Å; N366-Y372 VanDerWaalsContact O-CD2 3.31Å; N366-Y372 WeakPolarHBondContact O-CD2 3.05Å
367	V	87.9	Confident	88.7	Confident	47 Å²	47	48.5 Å²	48.5	29%	0.285	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.3	174.3	73.7	0	0	0	0	113.4	Y363 L365 S369 Y372	Y363-V367 HydrophobicContact CE1-CB 4.48Å; Y363-V367 HydrophobicContact CE1-CG1 4.41Å; Y363-V367 HydrophobicContact CE2-CB 4.24Å; Y363-V367 HydrophobicContact CE2-CG2 4.28Å; Y363-V367 WeakPolarHBondContact O-CB 3.26Å; Y363-V367 WeakPolarHBondContact O-CG1 3.41Å; Y363-V367 PolarHBondContact O-N 3.28Å; L365-V367 VanDerWaalsContact C-N 3.28Å; L365-V367 PolarHBondContact O-N 3.36Å; V367-S369 VanDerWaalsContact C-N 3.28Å; V367-Y372 HydrophobicContact CB-CD1 4.48Å; V367-Y372 HydrophobicContact CG2-CD1 4.23Å; V367-Y372 HydrophobicContact CG2-CE1 4.4Å
368	Q	85.6	Confident	88.1	Confident	152 Å²	152	50 Å²	50	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	175.3	-53.1	178.8	3.2	0	0	112.9	S364 L365 N366	S364-Q368 PolarHBondContact O-NE2 2.85Å; L365-Q368 WeakPolarHBondContact O-CB 3.46Å; L365-Q368 PolarHBondContact O-N 3.48Å; N366-Q368 PolarHBondContact O-N 3Å
369	S	88.4	Confident	87.5	Confident	16 Å²	16	54.2 Å²	54.2	11%	0.112	31%	0.308	C	S	.	.	S	Bend	trans	-88.8	131.9	177.3	-169.2	0	0	0	0	110.1	T342 N366 V367 N371 Y372	T342-S369 WeakPolarHBondContact OG1-CB 3.49Å; T342-S369 PolarHBondContact OG1-OG 3.08Å; N366-S369 WeakPolarHBondContact O-CB 3.47Å; N366-S369 PolarHBondContact O-N 3.23Å; V367-S369 VanDerWaalsContact C-N 3.28Å; S369-N371 PolarHBondContact O-N 3.28Å; S369-Y372 VanDerWaalsContact O-CB 3.29Å; S369-Y372 WeakPolarHBondContact O-CB 3.47Å; S369-Y372 PolarHBondContact O-N 2.85Å
370	G	86.2	Confident	86.9	Confident	87 Å²	87	57.3 Å²	57.3	90%	0.897	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-10.9	172.9	0	0	0	0	0	114.6
371	N	90.9	Very high	86.6	Confident	101 Å²	101	57.2 Å²	57.2	54%	0.54	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.5	173.1	-68.5	-3.1	0	0	0	113.2	T342 S369 V373	T342-N371 WeakPolarHBondContact O-CB 3.13Å; T342-N371 PolarHBondContact O-ND2 3.25Å; T342-N371 VanDerWaalsContact O-ND2 3.14Å; S369-N371 PolarHBondContact O-N 3.28Å; N371-V373 PolarHBondContact O-N 3.22Å
372	Y	89.3	Confident	86.5	Confident	27 Å²	27	57.2 Å²	57.2	11%	0.106	33%	0.33	C	S	.	.			trans	-79.3	117.4	-179	-164.4	-91.9	0	0	0	111.6	T342 Y363 N366 V367 S369 H374	T342-Y372 HydrophobicContact CG2-CD2 3.68Å; T342-Y372 HydrophobicContact CG2-CG 4.34Å; Y363-Y372 HydrophobicContact CD2-CE2 4.49Å; Y363-Y372 AromaticContact CD2-CZ 3.93Å; Y363-Y372 WeakPolarHBondContact CD2-OH 3.15Å; Y363-Y372 HydrophobicContact CE2-CE1 4.13Å; Y363-Y372 AromaticContact CE2-CZ 3.85Å; Y363-Y372 WeakPolarHBondContact CE2-OH 3.41Å; N366-Y372 VanDerWaalsContact C-CD2 3.43Å; N366-Y372 HydrophobicContact CB-CD2 3.83Å; N366-Y372 HydrophobicContact CB-CE2 4.04Å; N366-Y372 WeakPolarHBondContact O-CB 3.31Å; N366-Y372 VanDerWaalsContact O-CD2 3.31Å; N366-Y372 WeakPolarHBondContact O-CD2 3.05Å; V367-Y372 HydrophobicContact CB-CD1 4.48Å; V367-Y372 HydrophobicContact CG2-CD1 4.23Å; V367-Y372 HydrophobicContact CG2-CE1 4.4Å; S369-Y372 VanDerWaalsContact O-CB 3.29Å; S369-Y372 WeakPolarHBondContact O-CB 3.47Å; S369-Y372 PolarHBondContact O-N 2.85Å; Y372-H374 AromaticContact CD1-CD2 3.42Å; Y372-H374 VanDerWaalsContact CD1-CD2 3.42Å; Y372-H374 WeakPolarHBondContact CD1-CD2 3.34Å; Y372-H374 AromaticContact CD1-NE2 3.31Å; Y372-H374 VanDerWaalsContact CD1-NE2 3.31Å; Y372-H374 WeakPolarHBondContact CD1-NE2 3.26Å; Y372-H374 AromaticContact CE1-CD2 3.71Å; Y372-H374 AromaticContact CE1-CE1 3.83Å; Y372-H374 AromaticContact CE1-NE2 3.45Å; Y372-H374 WeakPolarHBondContact CE1-NE2 3.38Å
373	V	88.4	Confident	86.6	Confident	78 Å²	78	57 Å²	57	47%	0.473	33%	0.328	S	S	.	.			trans	-101.2	104.7	-178	179.4	0	0	0	0	109.5	N371 G381 S382	N371-V373 PolarHBondContact O-N 3.22Å; V373-G381 WeakPolarHBondContact O-CA 3.45Å; V373-S382 PolarHBondContact N-OG 2.71Å; V373-S382 PolarHBondContact O-N 3.02Å
374	H	83.9	Confident	86.9	Confident	76 Å²	76	54.7 Å²	54.7	35%	0.352	32%	0.319	S	S	.	.			trans	-66.2	139.4	160.1	-69.6	-102.1	0	0	0	109.1	Y372 H470	Y372-H374 AromaticContact CD1-CD2 3.42Å; Y372-H374 VanDerWaalsContact CD1-CD2 3.42Å; Y372-H374 WeakPolarHBondContact CD1-CD2 3.34Å; Y372-H374 AromaticContact CD1-NE2 3.31Å; Y372-H374 VanDerWaalsContact CD1-NE2 3.31Å; Y372-H374 WeakPolarHBondContact CD1-NE2 3.26Å; Y372-H374 AromaticContact CE1-CD2 3.71Å; Y372-H374 AromaticContact CE1-CE1 3.83Å; Y372-H374 AromaticContact CE1-NE2 3.45Å; Y372-H374 WeakPolarHBondContact CE1-NE2 3.38Å; H374-H470 AromaticContact CE1-CD2 3.14Å; H374-H470 PolarHBondContact CE1-CD2 3.38Å; H374-H470 AromaticContact CE1-CG 3.85Å; H374-H470 AromaticContact CE1-NE2 3.65Å; H374-H470 AromaticContact CG-NE2 3.81Å; H374-H470 AromaticContact ND1-CD2 3Å; H374-H470 PolarHBondContact ND1-CD2 3.22Å; H374-H470 AromaticContact ND1-CE1 3.8Å; H374-H470 AromaticContact ND1-CG 3.72Å; H374-H470 AromaticContact ND1-NE2 2.99Å; H374-H470 PolarHBondContact ND1-NE2 2.99Å
375	S	83	Confident	87.5	Confident	41 Å²	41	53.2 Å²	53.2	29%	0.287	31%	0.308	S	S	.	.			trans	-152.8	142.7	175.5	-166.7	0	0	0	0	110.3	S377 T380	S375-S377 PolarHBondContact OG-N 3.39Å; S375-T380 PolarHBondContact OG-OG1 3.36Å
376	D	78	Confident	87.9	Confident	118 Å²	118	51.6 Å²	51.6	63%	0.631	30%	0.3	S	S	*	.	S	Bend	trans	-78.6	-13.4	170.4	-55.1	-58.3	0	0	0	112.1	P485	D376-P485 HydrophobicContact CB-CG 4.08Å; D376-P485 WeakPolarHBondContact OD1-CD 3.47Å; D376-P485 WeakPolarHBondContact OD1-CG 3.47Å
377	S	82.8	Confident	88.1	Confident	42 Å²	42	53.7 Å²	53.7	29%	0.294	31%	0.314	S	S	.	.	S	Bend	trans	-75.6	139.6	175.1	-176.4	0	0	0	0	112	S375 N379 T380 V486	S375-S377 PolarHBondContact OG-N 3.39Å; S377-N379 PolarHBondContact O-N 3.27Å; S377-N379 PolarHBondContact OG-N 2.94Å; S377-N379 PolarHBondContact OG-OD1 3.46Å; S377-T380 WeakPolarHBondContact CB-OG1 3.48Å; S377-V486 WeakPolarHBondContact O-CG2 3.3Å
378	Q	79.6	Confident	88.4	Confident	85 Å²	85	52.4 Å²	52.4	40%	0.397	31%	0.308	S	S	.	.	S	Bend	trans	-69.1	-16	174.2	-65.2	170.7	42.8	0	0	113.3	R384 T385 S388 Q489	Q378-R384 WeakPolarHBondContact O-CA 3.43Å; Q378-R384 WeakPolarHBondContact O-CB 3.3Å; Q378-T385 HydrophobicContact CB-CG2 3.77Å; Q378-T385 HydrophobicContact CG-CG2 3.85Å; Q378-T385 PolarHBondContact O-N 2.88Å; Q378-T385 PolarHBondContact O-OG1 3.12Å; Q378-S388 WeakPolarHBondContact O-CB 3.46Å; Q378-Q489 VanDerWaalsContact CD-NE2 3.26Å; Q378-Q489 VanDerWaalsContact CG-OE1 3.29Å
379	N	83.5	Confident	88.9	Confident	89 Å²	89	45.3 Å²	45.3	48%	0.476	28%	0.275	S	S	.	.	S	Bend	trans	-118.2	-8.7	-167.4	72.1	11.7	0	0	0	116.7	S377 R384 S388	S377-N379 PolarHBondContact O-N 3.27Å; S377-N379 PolarHBondContact OG-N 2.94Å; S377-N379 PolarHBondContact OG-OD1 3.46Å; N379-R384 WeakPolarHBondContact O-CD 3.48Å; N379-S388 VanDerWaalsContact CA-OG 3.27Å; N379-S388 WeakPolarHBondContact CA-OG 3.33Å; N379-S388 WeakPolarHBondContact CB-OG 3.38Å
380	T	83.6	Confident	89.2	Confident	68 Å²	68	44.9 Å²	44.9	42%	0.417	27%	0.271	S	S	.	.	S	Bend	trans	-123.4	-175.3	178.5	56	0	0	0	0	111.5	S375 S377 R384	S375-T380 PolarHBondContact OG-OG1 3.36Å; S377-T380 WeakPolarHBondContact CB-OG1 3.48Å; T380-R384 WeakPolarHBondContact O-CG 3.48Å
381	G	88.7	Confident	89.7	Confident	11 Å²	11	46.8 Å²	46.8	11%	0.113	25%	0.252	C	S	.	.	S	Bend	trans	72.3	-168.9	-176.6	0	0	0	0	0	114.7	V373 R384	V373-G381 WeakPolarHBondContact O-CA 3.45Å; G381-R384 PolarHBondContact O-NE 3.44Å; G381-R384 PolarHBondContact O-NH2 3.17Å
382	S	92.3	Very high	89.9	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.049	24%	0.244	C	C	.	.	S	Bend	trans	-94.7	1.6	-174.8	-57.6	0	0	0	0	114	F340 V373	F340-S382 PolarHBondContact N-O 2.72Å; V373-S382 PolarHBondContact N-OG 2.71Å; V373-S382 PolarHBondContact O-N 3.02Å
383	K	94.2	Very high	90.2	Very high	17 Å²	17	45.7 Å²	45.7	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	116.1	176	-174	-160.2	-52.6	167.3	0	108.4	T338 S484 D487	T338-K383 WeakPolarHBondContact O-CA 3.32Å; K383-S484 PolarHBondContact NZ-OG 2.8Å; K383-D487 WeakPolarHBondContact CE-OD2 3.36Å; K383-D487 IonicContact NZ-OD2 3.6Å; K383-D487 PolarHBondContact NZ-OD2 3.12Å
384	R	95	Very high	90.6	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.5	-173.2	-62.9	170.3	-158.1	-176.7	15.2	110.9	D310 T338 F340 Q378 N379 T380 G381	D310-R384 IonicContact OD2-CZ 3.59Å; D310-R384 IonicContact OD2-NH1 2.85Å; D310-R384 PolarHBondContact OD2-NH1 2.92Å; D310-R384 IonicContact OD2-NH2 3.4Å; D310-R384 PolarHBondContact OD2-NH2 3.12Å; T338-R384 PolarHBondContact N-O 2.96Å; T338-R384 PolarHBondContact O-N 2.75Å; T338-R384 WeakPolarHBondContact OG1-CB 3.36Å; T338-R384 PolarHBondContact OG1-O 2.95Å; F340-R384 HydrophobicContact CE2-CB 4.22Å; F340-R384 HydrophobicContact CE2-CG 4.09Å; Q378-R384 WeakPolarHBondContact O-CA 3.43Å; Q378-R384 WeakPolarHBondContact O-CB 3.3Å; N379-R384 WeakPolarHBondContact O-CD 3.48Å; T380-R384 WeakPolarHBondContact O-CG 3.48Å; G381-R384 PolarHBondContact O-NE 3.44Å; G381-R384 PolarHBondContact O-NH2 3.17Å
385	T	96.2	Very high	91.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	151.9	170.5	62.2	0	0	0	0	110.9	Q378 S387 S388 V389 V486	Q378-T385 HydrophobicContact CB-CG2 3.77Å; Q378-T385 HydrophobicContact CG-CG2 3.85Å; Q378-T385 PolarHBondContact O-N 2.88Å; Q378-T385 PolarHBondContact O-OG1 3.12Å; T385-S387 VanDerWaalsContact C-N 3.33Å; T385-S387 PolarHBondContact OG1-OG 3.11Å; T385-S387 VanDerWaalsContact OG1-OG 3.1Å; T385-S388 PolarHBondContact O-N 3.39Å; T385-S388 VanDerWaalsContact OG1-CB 3.3Å; T385-S388 WeakPolarHBondContact OG1-CB 3.36Å; T385-S388 PolarHBondContact OG1-N 3.32Å; T385-S388 VanDerWaalsContact OG1-N 3.11Å; T385-V389 PolarHBondContact O-N 2.92Å; T385-V486 HydrophobicContact CG2-CG1 4.08Å
386	L	96.9	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-38.7	171.8	177.5	59.3	0	0	0	110.7	I316 L318 E335 G336 T338 S388 V389 L390 W404	I316-L386 HydrophobicContact CD1-CD1 3.79Å; I316-L386 HydrophobicContact CG1-CD1 3.89Å; I316-L386 HydrophobicContact CG2-CD1 3.82Å; I316-L386 HydrophobicContact CG2-CD2 3.75Å; I316-L386 HydrophobicContact CG2-CG 4.31Å; L318-L386 HydrophobicContact CD1-CD2 4.34Å; E335-L386 WeakPolarHBondContact OE1-CA 3.42Å; E335-L386 VanDerWaalsContact OE1-CB 3.3Å; E335-L386 WeakPolarHBondContact OE1-CB 3.18Å; E335-L386 PolarHBondContact OE1-N 2.66Å; G336-L386 PolarHBondContact O-N 3.26Å; T338-L386 HydrophobicContact CG2-CB 4.42Å; T338-L386 HydrophobicContact CG2-CD1 3.94Å; L386-S388 VanDerWaalsContact C-N 3.3Å; L386-S388 PolarHBondContact O-N 2.81Å; L386-V389 PolarHBondContact O-N 3Å; L386-L390 HydrophobicContact CD1-CD1 4.17Å; L386-L390 HydrophobicContact CD1-CD2 4.23Å; L386-L390 HydrophobicContact CD1-CG 3.9Å; L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 3.91Å; L386-L390 HydrophobicContact CG-CG 4.1Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 3.07Å; L386-W404 HydrophobicContact CD2-CZ3 3.86Å
387	S	95.5	Very high	92.6	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-56.5	-40.8	174	54	0	0	0	0	113.1	E335 T385 L390 Y391	E335-S387 PolarHBondContact OE1-N 3.05Å; E335-S387 WeakPolarHBondContact OE2-CB 3.4Å; E335-S387 PolarHBondContact OE2-OG 2.9Å; T385-S387 VanDerWaalsContact C-N 3.33Å; T385-S387 PolarHBondContact OG1-OG 3.11Å; T385-S387 VanDerWaalsContact OG1-OG 3.1Å; S387-L390 PolarHBondContact O-N 3.17Å; S387-Y391 VanDerWaalsContact O-CB 3.29Å; S387-Y391 WeakPolarHBondContact O-CB 3.45Å; S387-Y391 PolarHBondContact O-N 2.95Å
388	S	95.1	Very high	93.3	Very high	21 Å²	21	46.5 Å²	46.5	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-44	175.7	172.9	0	0	0	0	112.3	Q378 N379 T385 L386 Y391 R392	Q378-S388 WeakPolarHBondContact O-CB 3.46Å; N379-S388 VanDerWaalsContact CA-OG 3.27Å; N379-S388 WeakPolarHBondContact CA-OG 3.33Å; N379-S388 WeakPolarHBondContact CB-OG 3.38Å; T385-S388 PolarHBondContact O-N 3.39Å; T385-S388 VanDerWaalsContact OG1-CB 3.3Å; T385-S388 WeakPolarHBondContact OG1-CB 3.36Å; T385-S388 PolarHBondContact OG1-N 3.32Å; T385-S388 VanDerWaalsContact OG1-N 3.11Å; L386-S388 VanDerWaalsContact C-N 3.3Å; L386-S388 PolarHBondContact O-N 2.81Å; S388-Y391 PolarHBondContact O-N 3.32Å; S388-R392 PolarHBondContact O-N 2.9Å
389	V	95.4	Very high	94.1	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-45	177.9	163	0	0	0	0	111.3	I309 F314 T338 F340 T385 L386 Y391 R392 L393	I309-V389 HydrophobicContact CD1-CG1 3.74Å; I309-V389 HydrophobicContact CD1-CG2 4.3Å; F314-V389 HydrophobicContact CE2-CG1 3.84Å; F314-V389 HydrophobicContact CZ-CG1 3.96Å; T338-V389 HydrophobicContact CG2-CB 4.09Å; T338-V389 HydrophobicContact CG2-CG1 4.37Å; T338-V389 HydrophobicContact CG2-CG2 3.89Å; T338-V389 WeakPolarHBondContact OG1-CG2 3.37Å; F340-V389 HydrophobicContact CE2-CG2 4.38Å; F340-V389 HydrophobicContact CZ-CG2 4.09Å; T385-V389 PolarHBondContact O-N 2.92Å; L386-V389 PolarHBondContact O-N 3Å; V389-Y391 PolarHBondContact O-N 3.03Å; V389-R392 PolarHBondContact O-N 2.8Å; V389-L393 HydrophobicContact CG1-CD1 4.12Å; V389-L393 WeakPolarHBondContact O-CG 3.46Å; V389-L393 PolarHBondContact O-N 3.44Å
390	L	95.6	Very high	94.7	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.1	-65	179.9	0	0	0	111.9	L386 S387 L393 A394 I400 W404	L386-L390 HydrophobicContact CD1-CD1 4.17Å; L386-L390 HydrophobicContact CD1-CD2 4.23Å; L386-L390 HydrophobicContact CD1-CG 3.9Å; L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 3.91Å; L386-L390 HydrophobicContact CG-CG 4.1Å; L386-L390 WeakPolarHBondContact O-CG 3.38Å; L386-L390 PolarHBondContact O-N 3.07Å; S387-L390 PolarHBondContact O-N 3.17Å; L390-L393 PolarHBondContact O-N 2.9Å; L390-A394 PolarHBondContact O-N 3.47Å; L390-I400 HydrophobicContact CB-CD1 4.25Å; L390-I400 HydrophobicContact CB-CG2 3.96Å; L390-I400 HydrophobicContact CD1-CG2 4.08Å; L390-I400 HydrophobicContact CD2-CD1 4.18Å; L390-I400 HydrophobicContact CD2-CG2 4.23Å; L390-I400 HydrophobicContact CG-CG2 4.3Å; L390-I400 VanDerWaalsContact O-CD1 3.23Å; L390-I400 WeakPolarHBondContact O-CD1 3.26Å; L390-I400 WeakPolarHBondContact O-CG1 3.2Å; L390-W404 HydrophobicContact CD1-CE3 4.44Å
391	Y	95	Very high	95.4	Very high	126 Å²	126	48.6 Å²	48.6	49%	0.494	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-44.7	173.5	178.3	-98.6	0	0	0	112	L12 S387 S388 V389 L393 A394 A395	L12-Y391 WeakPolarHBondContact CD2-OH 3.44Å; S387-Y391 VanDerWaalsContact O-CB 3.29Å; S387-Y391 WeakPolarHBondContact O-CB 3.45Å; S387-Y391 PolarHBondContact O-N 2.95Å; S388-Y391 PolarHBondContact O-N 3.32Å; V389-Y391 PolarHBondContact O-N 3.03Å; Y391-L393 PolarHBondContact O-N 3.19Å; Y391-A394 WeakPolarHBondContact O-CB 3.32Å; Y391-A394 PolarHBondContact O-N 2.91Å; Y391-A395 PolarHBondContact O-N 2.81Å
392	R	95	Very high	95.8	Very high	98 Å²	98	56.1 Å²	56.1	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-68.7	-22.6	178.2	-166.2	170	-178	-150.9	-3.3	113.3	I309 D310 S388 V389	I309-R392 VanDerWaalsContact CG2-NH1 3.3Å; D310-R392 IonicContact OD1-CZ 3.19Å; D310-R392 IonicContact OD1-NH1 2.78Å; D310-R392 PolarHBondContact OD1-NH1 3.27Å; D310-R392 IonicContact OD1-NH2 2.71Å; D310-R392 PolarHBondContact OD1-NH2 2.7Å; D310-R392 IonicContact OD2-CZ 3.9Å; D310-R392 IonicContact OD2-NH1 2.82Å; D310-R392 PolarHBondContact OD2-NH1 3.19Å; S388-R392 PolarHBondContact O-N 2.9Å; V389-R392 PolarHBondContact O-N 2.8Å
393	L	95.8	Very high	96	Very high	8 Å²	8	56 Å²	56	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-79.7	-40.6	169.7	-68.7	172.1	0	0	0	111.5	L307 I309 V389 L390 Y391 A395 K396 V398 I400 L449	L307-L393 HydrophobicContact CD2-CD1 3.91Å; L307-L393 HydrophobicContact CD2-CD2 4.02Å; I309-L393 HydrophobicContact CD1-CD2 4.46Å; V389-L393 HydrophobicContact CG1-CD1 4.12Å; V389-L393 WeakPolarHBondContact O-CG 3.46Å; V389-L393 PolarHBondContact O-N 3.44Å; L390-L393 PolarHBondContact O-N 2.9Å; Y391-L393 PolarHBondContact O-N 3.19Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.77Å; L393-K396 CarbonylContact O-C 3.48Å; L393-K396 WeakPolarHBondContact O-CA 3.5Å; L393-K396 WeakPolarHBondContact O-CB 3.35Å; L393-K396 PolarHBondContact O-N 3.05Å; L393-V398 HydrophobicContact CB-CB 4.07Å; L393-V398 HydrophobicContact CB-CG1 4.44Å; L393-V398 HydrophobicContact CB-CG2 4.14Å; L393-V398 HydrophobicContact CD2-CG2 4.42Å; L393-V398 VanDerWaalsContact O-CB 3.29Å; L393-V398 WeakPolarHBondContact O-CB 3.36Å; L393-V398 WeakPolarHBondContact O-CG2 3.31Å; L393-V398 PolarHBondContact O-N 2.91Å; L393-V398 VanDerWaalsContact O-N 3.15Å; L393-I400 HydrophobicContact CB-CD1 3.72Å; L393-L449 HydrophobicContact CD1-CD1 4.39Å
394	A	97	Very high	96.2	Very high	48 Å²	48	57.1 Å²	57.1	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-42	173.4	0	0	0	0	0	111.9	L390 Y391 K396 G397 I400	L390-A394 PolarHBondContact O-N 3.47Å; Y391-A394 WeakPolarHBondContact O-CB 3.32Å; Y391-A394 PolarHBondContact O-N 2.91Å; A394-K396 PolarHBondContact O-N 2.62Å; A394-K396 VanDerWaalsContact O-N 3.1Å; A394-G397 PolarHBondContact O-N 3.08Å; A394-I400 HydrophobicContact CB-CD1 4.48Å; A394-I400 HydrophobicContact CB-CG1 3.76Å
395	A	96.4	Very high	96.3	Very high	77 Å²	77	59.3 Å²	59.3	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.1	174.3	0	0	0	0	0	114	Y391 L393	Y391-A395 PolarHBondContact O-N 2.81Å; L393-A395 VanDerWaalsContact C-N 3.31Å; L393-A395 PolarHBondContact O-N 2.77Å
396	K	95	Very high	96.4	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	15.9	172.6	-65.5	-177.7	176.8	-170.4	0	113.1	L393 A394	L393-K396 CarbonylContact O-C 3.48Å; L393-K396 WeakPolarHBondContact O-CA 3.5Å; L393-K396 WeakPolarHBondContact O-CB 3.35Å; L393-K396 PolarHBondContact O-N 3.05Å; A394-K396 PolarHBondContact O-N 2.62Å; A394-K396 VanDerWaalsContact O-N 3.1Å
397	G	96.3	Very high	96.5	Very high	74 Å²	74	61.9 Å²	61.9	76%	0.763	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	12.7	178.7	0	0	0	0	0	115.2	A394	A394-G397 PolarHBondContact O-N 3.08Å
398	V	97.1	Very high	96.7	Very high	29 Å²	29	60.5 Å²	60.5	18%	0.176	32%	0.319	C	S	.	.			trans	-76.1	132.1	178.5	178.2	0	0	0	0	111.2	L393 I400 V403 L453	L393-V398 HydrophobicContact CB-CB 4.07Å; L393-V398 HydrophobicContact CB-CG1 4.44Å; L393-V398 HydrophobicContact CB-CG2 4.14Å; L393-V398 HydrophobicContact CD2-CG2 4.42Å; L393-V398 VanDerWaalsContact O-CB 3.29Å; L393-V398 WeakPolarHBondContact O-CB 3.36Å; L393-V398 WeakPolarHBondContact O-CG2 3.31Å; L393-V398 PolarHBondContact O-N 2.91Å; L393-V398 VanDerWaalsContact O-N 3.15Å; V398-I400 HydrophobicContact CB-CD1 4.25Å; V398-I400 HydrophobicContact CG1-CD1 3.99Å; V398-I400 PolarHBondContact O-N 2.61Å; V398-V403 HydrophobicContact CG1-CG2 4.11Å; V398-L453 HydrophobicContact CB-CD1 4.48Å; V398-L453 HydrophobicContact CG1-CD1 3.52Å; V398-L453 HydrophobicContact CG1-CD2 4.12Å; V398-L453 HydrophobicContact CG1-CG 4.44Å; V398-L453 HydrophobicContact CG2-CD1 4.27Å; V398-L453 HydrophobicContact CG2-CD2 4.44Å
399	D	96.6	Very high	96.8	Very high	87 Å²	87	60.3 Å²	60.3	47%	0.465	32%	0.319	S	S	.	.			trans	-72	92.8	169.7	-177.8	9.5	0	0	0	111.8	K401 R402 V403	D399-K401 VanDerWaalsContact C-N 3.25Å; D399-K401 PolarHBondContact O-N 3.06Å; D399-K401 WeakPolarHBondContact OD1-CA 3.45Å; D399-K401 VanDerWaalsContact OD1-CB 3.25Å; D399-K401 WeakPolarHBondContact OD1-CB 3.26Å; D399-K401 PolarHBondContact OD1-N 2.9Å; D399-R402 HydrophobicContact CB-CB 4.2Å; D399-R402 PolarHBondContact O-N 2.93Å; D399-R402 PolarHBondContact OD1-N 3.04Å; D399-R402 VanDerWaalsContact OD2-CB 3.25Å; D399-R402 WeakPolarHBondContact OD2-CB 3.36Å; D399-R402 PolarHBondContact OD2-N 2.98Å; D399-V403 PolarHBondContact O-N 2.87Å; D399-V403 VanDerWaalsContact O-N 3.15Å
400	I	97	Very high	97	Very high	22 Å²	22	60.3 Å²	60.3	11%	0.113	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-26.8	174.6	-55.9	-51.9	0	0	0	112.5	L390 L393 A394 V398 W404	L390-I400 HydrophobicContact CB-CD1 4.25Å; L390-I400 HydrophobicContact CB-CG2 3.96Å; L390-I400 HydrophobicContact CD1-CG2 4.08Å; L390-I400 HydrophobicContact CD2-CD1 4.18Å; L390-I400 HydrophobicContact CD2-CG2 4.23Å; L390-I400 HydrophobicContact CG-CG2 4.3Å; L390-I400 VanDerWaalsContact O-CD1 3.23Å; L390-I400 WeakPolarHBondContact O-CD1 3.26Å; L390-I400 WeakPolarHBondContact O-CG1 3.2Å; L393-I400 HydrophobicContact CB-CD1 3.72Å; A394-I400 HydrophobicContact CB-CD1 4.48Å; A394-I400 HydrophobicContact CB-CG1 3.76Å; V398-I400 HydrophobicContact CB-CD1 4.25Å; V398-I400 HydrophobicContact CG1-CD1 3.99Å; V398-I400 PolarHBondContact O-N 2.61Å; I400-W404 WeakPolarHBondContact O-CB 3.42Å; I400-W404 PolarHBondContact O-N 3Å
401	K	96.6	Very high	97.1	Very high	177 Å²	177	60 Å²	60	77%	0.77	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-43.5	178.4	-58.8	175.4	-178.4	172.1	0	110	D399 S405	D399-K401 VanDerWaalsContact C-N 3.25Å; D399-K401 PolarHBondContact O-N 3.06Å; D399-K401 WeakPolarHBondContact OD1-CA 3.45Å; D399-K401 VanDerWaalsContact OD1-CB 3.25Å; D399-K401 WeakPolarHBondContact OD1-CB 3.26Å; D399-K401 PolarHBondContact OD1-N 2.9Å; K401-S405 WeakPolarHBondContact O-CB 3.41Å; K401-S405 PolarHBondContact O-N 3.2Å
402	R	97.5	Very high	97.3	Very high	169 Å²	169	54 Å²	54	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-61.7	-55.4	172	177.3	175.7	176.8	172.3	2.5	111.8	D399 W404 S405 D406	D399-R402 HydrophobicContact CB-CB 4.2Å; D399-R402 PolarHBondContact O-N 2.93Å; D399-R402 PolarHBondContact OD1-N 3.04Å; D399-R402 VanDerWaalsContact OD2-CB 3.25Å; D399-R402 WeakPolarHBondContact OD2-CB 3.36Å; D399-R402 PolarHBondContact OD2-N 2.98Å; R402-W404 PolarHBondContact O-N 3.21Å; R402-S405 WeakPolarHBondContact O-CA 3.45Å; R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 3.09Å; R402-D406 WeakPolarHBondContact CG-OD2 3.43Å; R402-D406 IonicContact NE-OD2 2.68Å; R402-D406 VanDerWaalsContact O-CG 3.31Å; R402-D406 PolarHBondContact O-N 2.93Å
403	V	97.6	Very high	97.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-40.3	-178.9	175.5	0	0	0	0	111.6	V398 D399 D406 I407 L449 L453	V398-V403 HydrophobicContact CG1-CG2 4.11Å; D399-V403 PolarHBondContact O-N 2.87Å; D399-V403 VanDerWaalsContact O-N 3.15Å; V403-D406 PolarHBondContact O-N 2.79Å; V403-I407 HydrophobicContact CG1-CD1 4.07Å; V403-I407 VanDerWaalsContact O-CG1 3.28Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 3.26Å; V403-L449 HydrophobicContact CG1-CD1 4.27Å; V403-L449 HydrophobicContact CG1-CD2 4.05Å; V403-L453 HydrophobicContact CG2-CB 4.04Å; V403-L453 HydrophobicContact CG2-CD1 4.4Å
404	W	97.8	Very high	97.6	Very high	41 Å²	41	50.2 Å²	50.2	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-69.6	-36.8	175.8	-171.8	-114.1	0	0	0	113.2	L318 I332 A333 L386 L390 I400 R402 I407 I408	L318-W404 HydrophobicContact CD1-CH2 3.96Å; L318-W404 HydrophobicContact CD1-CZ3 4.27Å; I332-W404 HydrophobicContact CG2-CH2 3.98Å; I332-W404 HydrophobicContact CG2-CZ2 4.09Å; A333-W404 WeakPolarHBondContact O-CH2 3.1Å; L386-W404 HydrophobicContact CD2-CZ3 3.86Å; L390-W404 HydrophobicContact CD1-CE3 4.44Å; I400-W404 WeakPolarHBondContact O-CB 3.42Å; I400-W404 PolarHBondContact O-N 3Å; R402-W404 PolarHBondContact O-N 3.21Å; W404-I407 HydrophobicContact CE3-CD1 4.37Å; W404-I407 HydrophobicContact CE3-CG2 4.26Å; W404-I407 HydrophobicContact CZ3-CG2 4.2Å; W404-I407 PolarHBondContact O-N 3.12Å; W404-I408 HydrophobicContact CG-CD1 4.41Å; W404-I408 VanDerWaalsContact O-CG1 3.28Å; W404-I408 WeakPolarHBondContact O-CG1 3.37Å; W404-I408 PolarHBondContact O-N 3Å
405	S	97.9	Very high	97.7	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-43.7	172.5	-170.7	0	0	0	0	111.8	K401 R402 I407 I408 A409	K401-S405 WeakPolarHBondContact O-CB 3.41Å; K401-S405 PolarHBondContact O-N 3.2Å; R402-S405 WeakPolarHBondContact O-CA 3.45Å; R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 3.09Å; S405-I407 VanDerWaalsContact C-N 3.33Å; S405-I407 PolarHBondContact O-N 3.01Å; S405-I408 PolarHBondContact O-N 3.03Å; S405-A409 PolarHBondContact O-N 2.99Å
406	D	98.3	Very high	97.8	Very high	55 Å²	55	45.1 Å²	45.1	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-37.2	178.9	-61.8	-18.8	0	0	0	110.8	R402 V403 A409 L410 P455	R402-D406 WeakPolarHBondContact CG-OD2 3.43Å; R402-D406 IonicContact NE-OD2 2.68Å; R402-D406 VanDerWaalsContact O-CG 3.31Å; R402-D406 PolarHBondContact O-N 2.93Å; V403-D406 PolarHBondContact O-N 2.79Å; D406-A409 PolarHBondContact O-N 3.05Å; D406-L410 WeakPolarHBondContact O-CB 3.43Å; D406-L410 PolarHBondContact O-N 3.26Å; D406-P455 HydrophobicContact CB-CG 3.75Å
407	I	98.6	Very high	98	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-43.9	171	-73.5	167.8	0	0	0	111.9	I316 L318 V403 W404 S405 A409 L410 V411 I447 L449 P455	I316-I407 HydrophobicContact CD1-CD1 4.24Å; L318-I407 HydrophobicContact CD2-CG2 3.51Å; V403-I407 HydrophobicContact CG1-CD1 4.07Å; V403-I407 VanDerWaalsContact O-CG1 3.28Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 3.26Å; W404-I407 HydrophobicContact CE3-CD1 4.37Å; W404-I407 HydrophobicContact CE3-CG2 4.26Å; W404-I407 HydrophobicContact CZ3-CG2 4.2Å; W404-I407 PolarHBondContact O-N 3.12Å; S405-I407 VanDerWaalsContact C-N 3.33Å; S405-I407 PolarHBondContact O-N 3.01Å; I407-A409 VanDerWaalsContact C-N 3.32Å; I407-A409 PolarHBondContact O-N 3.26Å; I407-L410 PolarHBondContact O-N 2.7Å; I407-V411 WeakPolarHBondContact O-CG2 3.35Å; I407-V411 PolarHBondContact O-N 2.91Å; I407-I447 HydrophobicContact CG2-CD1 4.16Å; I407-L449 HydrophobicContact CD1-CD2 4.47Å; I407-P455 HydrophobicContact CG1-CB 3.92Å; I407-P455 HydrophobicContact CG1-CG 4.26Å
408	I	98.6	Very high	98.1	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-44.3	175.7	-70.3	162.6	0	0	0	110.3	I332 W404 S405 V411 I412 V551 Y555	I332-I408 HydrophobicContact CD1-CB 4.43Å; I332-I408 HydrophobicContact CD1-CG1 4.14Å; I332-I408 HydrophobicContact CD1-CG2 4.47Å; W404-I408 HydrophobicContact CG-CD1 4.41Å; W404-I408 VanDerWaalsContact O-CG1 3.28Å; W404-I408 WeakPolarHBondContact O-CG1 3.37Å; W404-I408 PolarHBondContact O-N 3Å; S405-I408 PolarHBondContact O-N 3.03Å; I408-V411 PolarHBondContact O-N 2.99Å; I408-I412 HydrophobicContact CG2-CD1 3.73Å; I408-I412 HydrophobicContact CG2-CG1 4.43Å; I408-I412 WeakPolarHBondContact O-CG1 3.38Å; I408-I412 PolarHBondContact O-N 3.14Å; I408-V551 HydrophobicContact CG1-CG1 4.36Å; I408-V551 HydrophobicContact CG2-CB 3.98Å; I408-V551 HydrophobicContact CG2-CG1 3.98Å; I408-V551 HydrophobicContact CG2-CG2 4.49Å; I408-Y555 HydrophobicContact CG2-CD2 4.08Å; I408-Y555 HydrophobicContact CG2-CE2 4.06Å
409	A	98.6	Very high	98.1	Very high	18 Å²	18	34 Å²	34	15%	0.149	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-49.2	178.3	0	0	0	0	0	111.4	S405 D406 I407 V411 I412 K413 F559	S405-A409 PolarHBondContact O-N 2.99Å; D406-A409 PolarHBondContact O-N 3.05Å; I407-A409 VanDerWaalsContact C-N 3.32Å; I407-A409 PolarHBondContact O-N 3.26Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 2.73Å; A409-I412 PolarHBondContact O-N 2.79Å; A409-K413 WeakPolarHBondContact O-CB 3.36Å; A409-K413 WeakPolarHBondContact O-CG 3.48Å; A409-K413 PolarHBondContact O-N 3.46Å; A409-F559 HydrophobicContact CB-CE1 4.12Å; A409-F559 HydrophobicContact CB-CZ 3.82Å
410	L	98.8	Very high	98.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-52	-49.1	174.7	178.1	161.8	0	0	0	111.5	F232 D406 I407 S414 F445 I447 P455 L457	F232-L410 HydrophobicContact CB-CD1 4.25Å; F232-L410 HydrophobicContact CB-CG 4.47Å; F232-L410 HydrophobicContact CD2-CB 4.49Å; F232-L410 HydrophobicContact CD2-CD1 4.06Å; F232-L410 HydrophobicContact CD2-CG 3.65Å; F232-L410 HydrophobicContact CE2-CG 4.08Å; F232-L410 HydrophobicContact CG-CD1 4.38Å; F232-L410 HydrophobicContact CG-CG 4.1Å; D406-L410 WeakPolarHBondContact O-CB 3.43Å; D406-L410 PolarHBondContact O-N 3.26Å; I407-L410 PolarHBondContact O-N 2.7Å; L410-S414 VanDerWaalsContact O-CB 3.32Å; L410-S414 WeakPolarHBondContact O-CB 3.19Å; L410-S414 PolarHBondContact O-N 3.12Å; L410-S414 PolarHBondContact O-OG 2.87Å; L410-F445 HydrophobicContact CD2-CD1 4.22Å; L410-I447 HydrophobicContact CD1-CG1 4.48Å; L410-I447 HydrophobicContact CD1-CG2 4.2Å; L410-I447 HydrophobicContact CD2-CD1 3.87Å; L410-I447 HydrophobicContact CD2-CG1 4.06Å; L410-P455 HydrophobicContact CD1-CB 3.86Å; L410-P455 HydrophobicContact CD1-CG 4.24Å; L410-L457 HydrophobicContact CD1-CB 4.34Å; L410-L457 HydrophobicContact CD2-CB 4.24Å; L410-L457 HydrophobicContact CD2-CD1 4.25Å; L410-L457 HydrophobicContact CG-CB 4.48Å
411	V	98.8	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-49.1	-179.9	169.6	0	0	0	0	111.4	L318 V320 I330 I332 I407 I408 A409 K413 S414 V415 F445 I447	L318-V411 HydrophobicContact CD2-CG2 4.11Å; V320-V411 HydrophobicContact CB-CG1 4.38Å; V320-V411 HydrophobicContact CG1-CG1 3.73Å; V320-V411 HydrophobicContact CG2-CG1 3.74Å; V320-V411 HydrophobicContact CG2-CG2 4.17Å; I330-V411 HydrophobicContact CG2-CG1 4.37Å; I332-V411 HydrophobicContact CD1-CB 3.71Å; I332-V411 HydrophobicContact CD1-CG1 3.61Å; I332-V411 HydrophobicContact CD1-CG2 4.05Å; I332-V411 HydrophobicContact CG1-CG1 4.02Å; I407-V411 WeakPolarHBondContact O-CG2 3.35Å; I407-V411 PolarHBondContact O-N 2.91Å; I408-V411 PolarHBondContact O-N 2.99Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 2.73Å; V411-K413 PolarHBondContact O-N 3.21Å; V411-S414 PolarHBondContact O-N 3.11Å; V411-V415 WeakPolarHBondContact O-CG2 3.09Å; V411-V415 PolarHBondContact O-N 2.69Å; V411-F445 HydrophobicContact CB-CE1 4.39Å; V411-F445 HydrophobicContact CG1-CE1 4.36Å; V411-F445 HydrophobicContact CG1-CE2 4.3Å; V411-F445 HydrophobicContact CG1-CZ 4.1Å; V411-F445 HydrophobicContact CG2-CD1 3.91Å; V411-F445 HydrophobicContact CG2-CE1 4.13Å; V411-F445 HydrophobicContact CG2-CG 4.19Å; V411-I447 HydrophobicContact CG2-CD1 4.36Å
412	I	98.8	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-46.9	-179.4	-67.4	169.2	0	0	0	110.9	I330 I408 A409 S414 V415 I416 V551 Y552 Y555 F559	I330-I412 HydrophobicContact CD1-CG1 4.42Å; I408-I412 HydrophobicContact CG2-CD1 3.73Å; I408-I412 HydrophobicContact CG2-CG1 4.43Å; I408-I412 WeakPolarHBondContact O-CG1 3.38Å; I408-I412 PolarHBondContact O-N 3.14Å; A409-I412 PolarHBondContact O-N 2.79Å; I412-S414 VanDerWaalsContact C-N 3.35Å; I412-S414 PolarHBondContact O-N 2.9Å; I412-V415 PolarHBondContact O-N 2.74Å; I412-I416 HydrophobicContact CG2-CD1 3.74Å; I412-I416 HydrophobicContact CG2-CG1 4.41Å; I412-I416 WeakPolarHBondContact O-CG1 3.22Å; I412-I416 PolarHBondContact O-N 3.28Å; I412-V551 HydrophobicContact CD1-CB 4.06Å; I412-V551 HydrophobicContact CD1-CG2 3.93Å; I412-V551 HydrophobicContact CG1-CG2 3.83Å; I412-Y552 HydrophobicContact CG2-CD2 3.88Å; I412-Y552 HydrophobicContact CG2-CE2 4.31Å; I412-Y555 HydrophobicContact CD1-CD2 4.2Å; I412-F559 HydrophobicContact CB-CD2 4.29Å; I412-F559 HydrophobicContact CB-CE2 4.43Å; I412-F559 HydrophobicContact CD1-CD2 3.8Å; I412-F559 HydrophobicContact CD1-CE2 3.6Å; I412-F559 HydrophobicContact CD1-CZ 4.45Å; I412-F559 HydrophobicContact CG2-CB 3.91Å; I412-F559 HydrophobicContact CG2-CD1 4.31Å; I412-F559 HydrophobicContact CG2-CD2 3.68Å; I412-F559 HydrophobicContact CG2-CE2 4.3Å; I412-F559 HydrophobicContact CG2-CG 3.69Å
413	K	98.8	Very high	97.7	Very high	24 Å²	24	14.5 Å²	14.5	10%	0.104	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-43.6	178.8	-70.1	176.2	-178.1	-170.4	0	111.9	E229 Y230 F232 A409 V411 V415 I416 A417 F559 L562	E229-K413 WeakPolarHBondContact O-CD 3.38Å; E229-K413 WeakPolarHBondContact O-CE 3.33Å; E229-K413 PolarHBondContact O-NZ 2.9Å; E229-K413 WeakPolarHBondContact OE2-CE 3.4Å; E229-K413 IonicContact OE2-NZ 2.7Å; E229-K413 PolarHBondContact OE2-NZ 2.89Å; Y230-K413 HydrophobicContact CE1-CB 3.83Å; Y230-K413 VanDerWaalsContact CE1-O 3.31Å; Y230-K413 WeakPolarHBondContact CE1-O 3.28Å; Y230-K413 HydrophobicContact CE2-CB 4.42Å; Y230-K413 WeakPolarHBondContact OH-CA 3.32Å; Y230-K413 PolarHBondContact OH-O 3.25Å; F232-K413 HydrophobicContact CD1-CD 4.18Å; F232-K413 HydrophobicContact CE1-CB 3.62Å; F232-K413 HydrophobicContact CE1-CD 3.66Å; F232-K413 HydrophobicContact CE1-CG 4.31Å; F232-K413 HydrophobicContact CZ-CB 3.77Å; A409-K413 WeakPolarHBondContact O-CB 3.36Å; A409-K413 WeakPolarHBondContact O-CG 3.48Å; A409-K413 PolarHBondContact O-N 3.46Å; V411-K413 PolarHBondContact O-N 3.21Å; K413-V415 PolarHBondContact O-N 2.92Å; K413-I416 PolarHBondContact O-N 3.31Å; K413-A417 PolarHBondContact O-N 3.13Å; K413-F559 HydrophobicContact CG-CD1 4.21Å; K413-F559 HydrophobicContact CG-CE1 4.2Å; K413-L562 HydrophobicContact CG-CD1 3.85Å
414	S	98.8	Very high	97.5	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-42.5	176.7	-57.2	0	0	0	0	112.5	F232 L410 V411 I412 A417 V418	F232-S414 WeakPolarHBondContact CE2-OG 3.29Å; L410-S414 VanDerWaalsContact O-CB 3.32Å; L410-S414 WeakPolarHBondContact O-CB 3.19Å; L410-S414 PolarHBondContact O-N 3.12Å; L410-S414 PolarHBondContact O-OG 2.87Å; V411-S414 PolarHBondContact O-N 3.11Å; I412-S414 VanDerWaalsContact C-N 3.35Å; I412-S414 PolarHBondContact O-N 2.9Å; S414-A417 PolarHBondContact O-N 3.4Å; S414-V418 PolarHBondContact O-N 3.35Å
415	V	98.6	Very high	97.2	Very high	14 Å²	14	14 Å²	14	9%	0.085	8%	0.081	C	C	.	.	H	α-helix	trans	-66.6	-40.4	175.9	175.6	0	0	0	0	110.9	I322 L328 I330 V411 I412 K413 A417 V418 L419 F445	I322-V415 HydrophobicContact CD1-CG1 3.91Å; I322-V415 HydrophobicContact CD1-CG2 3.72Å; L328-V415 HydrophobicContact CD1-CG1 4.1Å; I330-V415 HydrophobicContact CD1-CB 3.74Å; I330-V415 HydrophobicContact CD1-CG1 3.63Å; I330-V415 HydrophobicContact CD1-CG2 4.11Å; I330-V415 HydrophobicContact CG1-CG1 4.16Å; V411-V415 WeakPolarHBondContact O-CG2 3.09Å; V411-V415 PolarHBondContact O-N 2.69Å; I412-V415 PolarHBondContact O-N 2.74Å; K413-V415 PolarHBondContact O-N 2.92Å; V415-A417 VanDerWaalsContact C-N 3.27Å; V415-A417 PolarHBondContact O-N 3.23Å; V415-V418 PolarHBondContact O-N 3.37Å; V415-L419 WeakPolarHBondContact O-CB 3.4Å; V415-L419 PolarHBondContact O-N 3.35Å; V415-F445 HydrophobicContact CG2-CZ 4.1Å
416	I	98.6	Very high	96.9	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-34.4	176.3	-72.2	171.4	0	0	0	111.9	M222 L328 I412 K413 P420 Y552 F559 L562 R563	M222-I416 HydrophobicContact CE-CG2 4.32Å; L328-I416 HydrophobicContact CD2-CG1 4.45Å; I412-I416 HydrophobicContact CG2-CD1 3.74Å; I412-I416 HydrophobicContact CG2-CG1 4.41Å; I412-I416 WeakPolarHBondContact O-CG1 3.22Å; I412-I416 PolarHBondContact O-N 3.28Å; K413-I416 PolarHBondContact O-N 3.31Å; I416-P420 WeakPolarHBondContact O-CD 2.94Å; I416-Y552 HydrophobicContact CD1-CE2 4.46Å; I416-F559 HydrophobicContact CD1-CB 3.82Å; I416-L562 HydrophobicContact CD1-CB 4.5Å; I416-L562 HydrophobicContact CG2-CB 4.02Å; I416-R563 HydrophobicContact CD1-CG 4.25Å; I416-R563 HydrophobicContact CG1-CG 4.42Å; I416-R563 HydrophobicContact CG2-CG 4.14Å
417	A	98.4	Very high	96.5	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-39.3	175.9	0	0	0	0	0	112.9	V219 M222 Y230 K413 S414 V415 P420	V219-A417 HydrophobicContact CG2-CB 4.3Å; M222-A417 HydrophobicContact CG-CB 3.66Å; Y230-A417 HydrophobicContact CE1-CB 4.08Å; K413-A417 PolarHBondContact O-N 3.13Å; S414-A417 PolarHBondContact O-N 3.4Å; V415-A417 VanDerWaalsContact C-N 3.27Å; V415-A417 PolarHBondContact O-N 3.23Å; A417-P420 VanDerWaalsContact O-CD 3.29Å; A417-P420 WeakPolarHBondContact O-CD 3.13Å
418	V	97.9	Very high	96	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.055	8%	0.077	C	C	.	.	H	α-helix	trans	-87.1	-25.3	-175.6	171.9	0	0	0	0	113.2	M209 L210 L215 S414 V415 L422	M209-V418 HydrophobicContact CB-CG1 3.87Å; L210-V418 HydrophobicContact CD2-CG1 4.06Å; L210-V418 HydrophobicContact CD2-CG2 3.92Å; L215-V418 HydrophobicContact CD1-CG2 3.87Å; S414-V418 PolarHBondContact O-N 3.35Å; V415-V418 PolarHBondContact O-N 3.37Å; V418-L422 HydrophobicContact CG1-CB 4.48Å; V418-L422 VanDerWaalsContact O-CB 3.31Å; V418-L422 WeakPolarHBondContact O-CB 3.39Å; V418-L422 PolarHBondContact O-N 2.94Å; V418-L422 VanDerWaalsContact O-N 3.15Å
419	L	97.4	Very high	95.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-52.1	-37.6	-178.9	-174.6	62.3	0	0	0	115.9	V325 L328 V415 K423 E566	V325-L419 HydrophobicContact CB-CD1 3.77Å; V325-L419 HydrophobicContact CG1-CD1 3.81Å; L328-L419 HydrophobicContact CD1-CD1 4.2Å; L328-L419 HydrophobicContact CD1-CD2 4.06Å; L328-L419 HydrophobicContact CD2-CD2 3.9Å; L328-L419 HydrophobicContact CG-CD2 4.39Å; V415-L419 WeakPolarHBondContact O-CB 3.4Å; V415-L419 PolarHBondContact O-N 3.35Å; L419-K423 HydrophobicContact CD1-CD 4.44Å; L419-K423 HydrophobicContact CD1-CG 4.19Å; L419-K423 HydrophobicContact CG-CD 4.48Å; L419-K423 WeakPolarHBondContact O-CG 3.32Å; L419-K423 PolarHBondContact O-N 3.41Å; L419-E566 WeakPolarHBondContact CD2-OE2 3.01Å
420	P	96.9	Very high	95	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-55.2	-177.5	-23.7	35.9	0	0	0	112.9	I416 A417 K423 V424 V565 A569 L633	I416-P420 WeakPolarHBondContact O-CD 2.94Å; A417-P420 VanDerWaalsContact O-CD 3.29Å; A417-P420 WeakPolarHBondContact O-CD 3.13Å; P420-K423 PolarHBondContact O-N 3.34Å; P420-V424 PolarHBondContact O-N 3.46Å; P420-V565 HydrophobicContact CB-CG1 3.97Å; P420-V565 HydrophobicContact CG-CB 3.97Å; P420-V565 HydrophobicContact CG-CG1 3.79Å; P420-A569 HydrophobicContact CB-CB 3.82Å; P420-L633 VanDerWaalsContact C-CD2 3.46Å; P420-L633 HydrophobicContact CB-CD2 3.83Å
421	D	94.3	Very high	94.4	Very high	17 Å²	17	18.6 Å²	18.6	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-69.2	-35.8	177.7	-66.2	-94.3	0	0	0	111.9	M209 K423 V424 H425 L633 Q634	M209-D421 HydrophobicContact CG-CB 4.21Å; M209-D421 HydrophobicContact SD-CB 3.35Å; M209-D421 WeakPolarHBondContact SD-CB 3.38Å; D421-K423 PolarHBondContact O-N 3.15Å; D421-V424 WeakPolarHBondContact O-CB 3.43Å; D421-V424 PolarHBondContact O-N 2.68Å; D421-H425 PolarHBondContact O-CD2 2.93Å; D421-H425 PolarHBondContact O-N 2.98Å; D421-L633 HydrophobicContact CB-CD2 4.32Å; D421-L633 WeakPolarHBondContact OD1-CB 3.07Å; D421-Q634 PolarHBondContact OD2-NE2 3.01Å
422	L	95.4	Very high	93.5	Very high	5 Å²	5	23 Å²	23	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-37.1	174.3	-175.3	69.8	0	0	0	111.8	F203 P204 M206 V325 V418 Y426	F203-L422 HydrophobicContact CB-CD1 4.04Å; P204-L422 VanDerWaalsContact O-CD1 3.29Å; P204-L422 WeakPolarHBondContact O-CD1 3.39Å; M206-L422 HydrophobicContact CB-CD1 4Å; M206-L422 HydrophobicContact CE-CD1 3.94Å; M206-L422 HydrophobicContact CE-CD2 3.49Å; M206-L422 VanDerWaalsContact CE-CD2 3.49Å; M206-L422 HydrophobicContact CE-CG 4.39Å; M206-L422 HydrophobicContact SD-CD1 4.1Å; M206-L422 HydrophobicContact SD-CD2 4.27Å; V325-L422 HydrophobicContact CG1-CD2 3.76Å; V418-L422 HydrophobicContact CG1-CB 4.48Å; V418-L422 VanDerWaalsContact O-CB 3.31Å; V418-L422 WeakPolarHBondContact O-CB 3.39Å; V418-L422 PolarHBondContact O-N 2.94Å; V418-L422 VanDerWaalsContact O-N 3.15Å; L422-Y426 VanDerWaalsContact O-CB 3.28Å; L422-Y426 WeakPolarHBondContact O-CB 3.43Å; L422-Y426 PolarHBondContact O-N 3.04Å
423	K	93.9	Very high	92.6	Very high	23 Å²	23	26.2 Å²	26.2	10%	0.1	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-34.8	174.2	-79.1	-172	174.5	-164.4	0	113.3	V325 L419 P420 D421 Y426 Q427 E566 I573	V325-K423 WeakPolarHBondContact O-CE 3.24Å; V325-K423 PolarHBondContact O-NZ 3.12Å; V325-K423 VanDerWaalsContact O-NZ 3.13Å; L419-K423 HydrophobicContact CD1-CD 4.44Å; L419-K423 HydrophobicContact CD1-CG 4.19Å; L419-K423 HydrophobicContact CG-CD 4.48Å; L419-K423 WeakPolarHBondContact O-CG 3.32Å; L419-K423 PolarHBondContact O-N 3.41Å; P420-K423 PolarHBondContact O-N 3.34Å; D421-K423 PolarHBondContact O-N 3.15Å; K423-Y426 PolarHBondContact O-N 3.22Å; K423-Q427 WeakPolarHBondContact O-CB 3.35Å; K423-Q427 PolarHBondContact O-N 3.05Å; K423-E566 HydrophobicContact CD-CG 4.42Å; K423-E566 WeakPolarHBondContact CE-OE1 3.37Å; K423-E566 IonicContact NZ-OE1 2.9Å; K423-E566 PolarHBondContact NZ-OE1 2.97Å; K423-I573 HydrophobicContact CB-CD1 4.28Å
424	V	93	Very high	91.7	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-47.9	174.6	-179.8	0	0	0	0	110.4	P420 D421 Q427 A428 F572 I573 L576 M582 L633	P420-V424 PolarHBondContact O-N 3.46Å; D421-V424 WeakPolarHBondContact O-CB 3.43Å; D421-V424 PolarHBondContact O-N 2.68Å; V424-Q427 PolarHBondContact O-N 3.16Å; V424-A428 WeakPolarHBondContact O-CB 3.49Å; V424-A428 PolarHBondContact O-N 2.73Å; V424-F572 HydrophobicContact CG1-CD1 4.46Å; V424-F572 HydrophobicContact CG1-CE1 3.9Å; V424-F572 HydrophobicContact CG2-CD1 3.84Å; V424-F572 HydrophobicContact CG2-CE1 4.03Å; V424-I573 HydrophobicContact CG2-CD1 4.11Å; V424-I573 HydrophobicContact CG2-CG1 4.01Å; V424-L576 HydrophobicContact CG1-CD1 4.29Å; V424-M582 HydrophobicContact CB-CE 4.26Å; V424-M582 HydrophobicContact CG1-CB 4.45Å; V424-M582 HydrophobicContact CG1-CE 3.67Å; V424-M582 HydrophobicContact CG1-CG 4.21Å; V424-L633 HydrophobicContact CG2-CB 4.23Å; V424-L633 HydrophobicContact CG2-CD2 3.83Å
425	H	92.1	Very high	90.9	Very high	28 Å²	28	37 Å²	37	13%	0.13	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-47.3	173.7	-79.9	-79.3	0	0	0	112.1	P204 G205 M209 D421 Q427 A428 D429 M582	P204-H425 HydrophobicContact CB-CB 4.31Å; G205-H425 VanDerWaalsContact CA-CG 3.47Å; M209-H425 WeakPolarHBondContact CE-NE2 3.33Å; D421-H425 PolarHBondContact O-CD2 2.93Å; D421-H425 PolarHBondContact O-N 2.98Å; H425-Q427 VanDerWaalsContact C-N 3.33Å; H425-Q427 PolarHBondContact O-N 2.88Å; H425-A428 PolarHBondContact O-N 2.84Å; H425-D429 PolarHBondContact O-N 3.47Å; H425-D429 VanDerWaalsContact O-N 3.1Å; H425-M582 HydrophobicContact CB-CE 4.34Å; H425-M582 VanDerWaalsContact CE1-CE 3.4Å; H425-M582 WeakPolarHBondContact CE1-CE 3.29Å; H425-M582 VanDerWaalsContact CG-CE 3.49Å; H425-M582 WeakPolarHBondContact ND1-CE 3.39Å; H425-M582 PolarHBondContact ND1-SD 3.39Å
426	Y	91	Very high	90.3	Very high	55 Å²	55	37.7 Å²	37.7	22%	0.216	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-44.9	180	-171.3	-97	0	0	0	112.4	F203 P204 V325 L422 K423 I430 C439	F203-Y426 AromaticContact CD1-CD2 3.81Å; F203-Y426 HydrophobicContact CD1-CD2 3.81Å; F203-Y426 AromaticContact CD1-CE2 3.98Å; F203-Y426 HydrophobicContact CD1-CE2 3.98Å; F203-Y426 HydrophobicContact CE1-CD2 4.43Å; F203-Y426 HydrophobicContact CE1-CE2 4.28Å; P204-Y426 HydrophobicContact CG-CD2 4.3Å; V325-Y426 HydrophobicContact CG2-CD1 4.49Å; V325-Y426 HydrophobicContact CG2-CG 4.45Å; L422-Y426 VanDerWaalsContact O-CB 3.28Å; L422-Y426 WeakPolarHBondContact O-CB 3.43Å; L422-Y426 PolarHBondContact O-N 3.04Å; K423-Y426 PolarHBondContact O-N 3.22Å; Y426-I430 HydrophobicContact CE2-CD1 4.02Å; Y426-I430 CarbonylContact O-C 3.42Å; Y426-I430 WeakPolarHBondContact O-CA 3.44Å; Y426-I430 PolarHBondContact O-N 3.37Å; Y426-C439 HydrophobicContact CE2-CB 3.86Å
427	Q	89.5	Confident	90	Very high	79 Å²	79	37.8 Å²	37.8	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-79.2	-19.7	-178.9	-178.6	160.6	-16.4	0	0	113.9	K423 V424 H425 P431 I573	K423-Q427 WeakPolarHBondContact O-CB 3.35Å; K423-Q427 PolarHBondContact O-N 3.05Å; V424-Q427 PolarHBondContact O-N 3.16Å; H425-Q427 VanDerWaalsContact C-N 3.33Å; H425-Q427 PolarHBondContact O-N 2.88Å; Q427-P431 WeakPolarHBondContact O-CA 3.46Å; Q427-I573 VanDerWaalsContact NE2-CG2 3.35Å; Q427-I573 VanDerWaalsContact OE1-CG2 3.31Å
428	A	89	Confident	89.7	Confident	11 Å²	11	40.9 Å²	40.9	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-52.5	169.5	0	0	0	0	0	110.7	V424 H425 G580 M582	V424-A428 WeakPolarHBondContact O-CB 3.49Å; V424-A428 PolarHBondContact O-N 2.73Å; H425-A428 PolarHBondContact O-N 2.84Å; A428-G580 WeakPolarHBondContact O-CA 3.3Å; A428-M582 HydrophobicContact CB-CG 3.85Å; A428-M582 HydrophobicContact CB-SD 4.46Å
429	D	87.8	Confident	89.6	Confident	80 Å²	80	40.7 Å²	40.7	43%	0.428	24%	0.236	S	C	.	.	H	α-helix	trans	-82.5	-35.1	-172.9	-67.3	-6.5	0	0	0	113	H190 P204 H425 P431	H190-D429 IonicContact CE1-OD2 3.84Å; H190-D429 PolarHBondContact CE1-OD2 2.87Å; H190-D429 IonicContact NE2-OD2 3.65Å; P204-D429 HydrophobicContact CB-CB 3.94Å; P204-D429 WeakPolarHBondContact CB-OD2 3.46Å; P204-D429 HydrophobicContact CG-CB 3.8Å; H425-D429 PolarHBondContact O-N 3.47Å; H425-D429 VanDerWaalsContact O-N 3.1Å; D429-P431 WeakPolarHBondContact O-CD 3.45Å
430	I	88.2	Confident	89.7	Confident	18 Å²	18	40.7 Å²	40.7	9%	0.092	24%	0.235	C	C	.	.	S	Bend	trans	-123.8	75.7	176.2	-49.8	179.1	0	0	0	109.6	F189 P204 Y426 P437	F189-I430 HydrophobicContact CE2-CD1 4.4Å; F189-I430 HydrophobicContact CZ-CD1 4.06Å; P204-I430 HydrophobicContact CG-CD1 4.22Å; P204-I430 HydrophobicContact CG-CG1 4.28Å; Y426-I430 HydrophobicContact CE2-CD1 4.02Å; Y426-I430 CarbonylContact O-C 3.42Å; Y426-I430 WeakPolarHBondContact O-CA 3.44Å; Y426-I430 PolarHBondContact O-N 3.37Å; I430-P437 HydrophobicContact CD1-CG 4.1Å
431	P	85.4	Confident	89.7	Confident	10 Å²	10	40.6 Å²	40.6	7%	0.065	24%	0.235	C	C	.	.			trans	-65.6	134.2	177.6	-18.1	30.9	0	0	0	111.1	Q427 D429 A433 K434	Q427-P431 WeakPolarHBondContact O-CA 3.46Å; D429-P431 WeakPolarHBondContact O-CD 3.45Å; P431-A433 PolarHBondContact O-N 3.38Å; P431-K434 HydrophobicContact CG-CD 4.43Å; P431-K434 PolarHBondContact O-N 2.79Å
432	P	79.7	Confident	89.9	Confident	92 Å²	92	40.5 Å²	40.5	60%	0.597	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-26.9	-177.6	-30.3	35.1	0	0	0	115.7	K434	P432-K434 VanDerWaalsContact C-N 3.29Å; P432-K434 PolarHBondContact O-N 2.87Å
433	A	79.9	Confident	90.1	Very high	68 Å²	68	40.5 Å²	40.5	56%	0.562	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	27.8	178	0	0	0	0	0	114.1	P431	P431-A433 PolarHBondContact O-N 3.38Å
434	K	80.1	Confident	90.3	Very high	137 Å²	137	39.4 Å²	39.4	60%	0.596	23%	0.229	S	C	*	.	S	Bend	trans	-140.9	146.7	170.7	-74.1	-173.1	176.5	-178.5	0	109.8	P431 P432	P431-K434 HydrophobicContact CG-CD 4.43Å; P431-K434 PolarHBondContact O-N 2.79Å; P432-K434 VanDerWaalsContact C-N 3.29Å; P432-K434 PolarHBondContact O-N 2.87Å
435	P	81.5	Confident	90.6	Very high	116 Å²	116	39.2 Å²	39.2	75%	0.753	23%	0.228	S	C	*	.			trans	-59.6	140.7	164.5	-21.2	33.6	0	0	0	111.4
436	G	86.8	Confident	90.9	Very high	28 Å²	28	38 Å²	38	29%	0.289	22%	0.222	S	C	.	.			trans	-172.7	172.5	179	0	0	0	0	0	110.9	V196	V196-G436 PolarHBondContact O-N 3.3Å
437	P	91.3	Very high	91.2	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.039	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-78.3	155	-179.5	32.1	-32.8	0	0	0	111.8	F189 I195 G198 V200 I430	F189-P437 HydrophobicContact CE2-CG 4.2Å; I195-P437 HydrophobicContact CG2-CB 3.76Å; I195-P437 HydrophobicContact CG2-CG 3.83Å; I195-P437 WeakPolarHBondContact O-CD 3.44Å; G198-P437 VanDerWaalsContact O-CA 3.25Å; G198-P437 WeakPolarHBondContact O-CA 3.47Å; V200-P437 HydrophobicContact CB-CB 4.42Å; V200-P437 HydrophobicContact CG1-CB 3.96Å; V200-P437 HydrophobicContact CG1-CG 3.87Å; I430-P437 HydrophobicContact CD1-CG 4.1Å
438	T	93.4	Very high	91.7	Very high	69 Å²	69	31.7 Å²	31.7	42%	0.423	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.6	164.9	63.2	0	0	0	0	109.8	G198 Q199 V200	G198-T438 PolarHBondContact O-N 3.16Å; Q199-T438 VanDerWaalsContact CA-O 3.28Å; Q199-T438 WeakPolarHBondContact CA-O 3.35Å; Q199-T438 WeakPolarHBondContact CG-OG1 3.37Å; Q199-T438 PolarHBondContact NE2-OG1 3.4Å; V200-T438 PolarHBondContact N-O 2.81Å
439	C	95.9	Very high	92.1	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.034	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143	178.4	-63	0	0	0	0	112.7	V200 K202 F203 Y426	V200-C439 HydrophobicContact CG1-CB 4.49Å; V200-C439 WeakPolarHBondContact O-CA 3.45Å; K202-C439 VanDerWaalsContact O-CB 3.3Å; K202-C439 WeakPolarHBondContact O-CB 3.46Å; K202-C439 PolarHBondContact O-SG 2.96Å; F203-C439 HydrophobicContact CB-CB 4.44Å; F203-C439 HydrophobicContact CD1-CB 3.32Å; F203-C439 HydrophobicContact CD2-CB 4.33Å; F203-C439 HydrophobicContact CE1-CB 3.44Å; F203-C439 VanDerWaalsContact CE1-CB 3.44Å; F203-C439 WeakPolarHBondContact CE1-O 3.32Å; F203-C439 HydrophobicContact CE2-CB 4.43Å; F203-C439 HydrophobicContact CG-CB 3.78Å; F203-C439 HydrophobicContact CZ-CB 4.02Å; F203-C439 WeakPolarHBondContact CZ-O 3.49Å; Y426-C439 HydrophobicContact CE2-CB 3.86Å
440	F	98.1	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.			trans	-137	160	164	65.2	-82	0	0	0	107.7	I182 W184 Q199 V200 N201 K202 L321 I322 T498 M502	I182-F440 HydrophobicContact CG2-CE1 4.28Å; I182-F440 HydrophobicContact CG2-CZ 4.02Å; W184-F440 HydrophobicContact CE3-CE2 4.5Å; W184-F440 HydrophobicContact CE3-CZ 4.43Å; W184-F440 HydrophobicContact CZ3-CE2 4.04Å; W184-F440 HydrophobicContact CZ3-CZ 4.35Å; Q199-F440 HydrophobicContact CB-CD1 4.3Å; Q199-F440 HydrophobicContact CB-CE1 4.02Å; V200-F440 VanDerWaalsContact C-CE1 3.49Å; V200-F440 VanDerWaalsContact O-CD1 3.29Å; V200-F440 WeakPolarHBondContact O-CD1 3.45Å; V200-F440 PolarHBondContact O-N 3.3Å; N201-F440 CarbonylContact C-O 3.57Å; N201-F440 WeakPolarHBondContact CA-O 3.33Å; N201-F440 HydrophobicContact CB-CD2 4.25Å; N201-F440 HydrophobicContact CB-CE1 4.27Å; N201-F440 HydrophobicContact CB-CE2 3.57Å; N201-F440 HydrophobicContact CB-CZ 3.6Å; K202-F440 PolarHBondContact N-O 3.49Å; L321-F440 HydrophobicContact CD1-CB 4.33Å; L321-F440 HydrophobicContact CD1-CD2 4.02Å; I322-F440 CarbonylContact O-C 3.46Å; I322-F440 VanDerWaalsContact O-CA 3.3Å; I322-F440 WeakPolarHBondContact O-CA 3.17Å; F440-T498 HydrophobicContact CD2-CG2 3.81Å; F440-T498 HydrophobicContact CE2-CG2 3.64Å; F440-M502 HydrophobicContact CB-CE 3.95Å; F440-M502 HydrophobicContact CB-SD 4.01Å; F440-M502 HydrophobicContact CD1-CE 3.73Å; F440-M502 HydrophobicContact CD1-CG 4.09Å; F440-M502 HydrophobicContact CD1-SD 4.34Å; F440-M502 HydrophobicContact CD2-CG 3.99Å; F440-M502 HydrophobicContact CD2-SD 4.49Å; F440-M502 HydrophobicContact CE1-CE 4.46Å; F440-M502 HydrophobicContact CE1-CG 4.23Å; F440-M502 HydrophobicContact CE2-CG 4.14Å; F440-M502 HydrophobicContact CG-CE 3.96Å; F440-M502 HydrophobicContact CG-CG 3.96Å; F440-M502 HydrophobicContact CG-SD 4.05Å; F440-M502 HydrophobicContact CZ-CG 4.25Å
441	Q	98.3	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	136.1	177.7	-170.3	161.2	-7.4	0	0	113.6	F203 L321 I322 L443 S462	F203-Q441 HydrophobicContact CD2-CB 3.64Å; F203-Q441 HydrophobicContact CE2-CB 3.94Å; L321-Q441 WeakPolarHBondContact CA-O 3.23Å; I322-Q441 PolarHBondContact N-O 2.85Å; I322-Q441 PolarHBondContact O-N 3.09Å; Q441-L443 HydrophobicContact CG-CD2 4Å; Q441-S462 PolarHBondContact NE2-O 2.95Å
442	I	98.6	Very high	93.6	Very high	14 Å²	14	41 Å²	41	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.1	167.6	-58.9	163.2	0	0	0	108.7	W184 Y319 V320 L321 P464 V494 I495 T498	W184-I442 HydrophobicContact CH2-CD1 3.64Å; W184-I442 HydrophobicContact CZ2-CD1 3.9Å; Y319-I442 HydrophobicContact CD1-CG2 4.04Å; V320-I442 CarbonylContact O-C 3.55Å; V320-I442 WeakPolarHBondContact O-CA 3.25Å; L321-I442 HydrophobicContact CD1-CG1 4.32Å; I442-P464 HydrophobicContact CG2-CG 4.44Å; I442-V494 HydrophobicContact CD1-CG1 4.05Å; I442-V494 HydrophobicContact CG2-CG1 4.19Å; I442-I495 HydrophobicContact CD1-CG1 4.39Å; I442-T498 HydrophobicContact CD1-CG2 4.27Å; I442-T498 HydrophobicContact CG1-CG2 4.35Å
443	L	98.7	Very high	94.4	Very high	5 Å²	5	39 Å²	39	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148	174	-54.5	179	0	0	0	109.6	M206 L210 V320 I322 Q441 F445 V460 N461	M206-L443 HydrophobicContact CE-CD1 4.35Å; M206-L443 HydrophobicContact CE-CD2 4.33Å; M206-L443 HydrophobicContact CG-CD2 3.95Å; M206-L443 HydrophobicContact SD-CD1 4.3Å; M206-L443 HydrophobicContact SD-CD2 4.04Å; L210-L443 HydrophobicContact CD1-CD1 4.24Å; L210-L443 HydrophobicContact CD1-CD2 3.77Å; V320-L443 PolarHBondContact N-O 3.21Å; V320-L443 PolarHBondContact O-N 2.94Å; I322-L443 HydrophobicContact CD1-CD1 4.21Å; I322-L443 HydrophobicContact CG1-CD1 3.71Å; I322-L443 HydrophobicContact CG1-CG 4.28Å; Q441-L443 HydrophobicContact CG-CD2 4Å; L443-F445 HydrophobicContact CB-CD2 4.33Å; L443-F445 HydrophobicContact CB-CE2 4.12Å; L443-F445 HydrophobicContact CD1-CE2 4.2Å; L443-V460 HydrophobicContact CB-CG1 4.11Å; L443-V460 HydrophobicContact CD1-CG1 4.33Å; L443-N461 WeakPolarHBondContact CA-O 3.39Å
444	G	98.3	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.8	169.6	0	0	0	0	0	110.2	L318 N461	L318-G444 CarbonylContact O-C 3.58Å; L318-G444 WeakPolarHBondContact O-CA 3.13Å; G444-N461 PolarHBondContact N-O 3.46Å; G444-N461 WeakPolarHBondContact O-CB 3.33Å; G444-N461 PolarHBondContact O-N 3.35Å
445	F	98.7	Very high	96.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.5	173.4	-84	-109	0	0	0	109.7	I316 R317 L318 V320 L410 V411 V415 L443 I447 L457 V460	I316-F445 VanDerWaalsContact O-O 3.09Å; R317-F445 CarbonylContact C-O 3.59Å; R317-F445 VanDerWaalsContact CA-O 3.31Å; R317-F445 WeakPolarHBondContact CA-O 3.36Å; L318-F445 HydrophobicContact CB-CB 4.3Å; L318-F445 PolarHBondContact N-O 2.9Å; L318-F445 PolarHBondContact O-N 2.9Å; V320-F445 HydrophobicContact CB-CD2 3.81Å; V320-F445 HydrophobicContact CB-CE2 3.82Å; V320-F445 HydrophobicContact CG1-CE2 4.1Å; V320-F445 HydrophobicContact CG2-CD2 3.4Å; V320-F445 HydrophobicContact CG2-CE2 3.77Å; V320-F445 HydrophobicContact CG2-CG 4.13Å; L410-F445 HydrophobicContact CD2-CD1 4.22Å; V411-F445 HydrophobicContact CB-CE1 4.39Å; V411-F445 HydrophobicContact CG1-CE1 4.36Å; V411-F445 HydrophobicContact CG1-CE2 4.3Å; V411-F445 HydrophobicContact CG1-CZ 4.1Å; V411-F445 HydrophobicContact CG2-CD1 3.91Å; V411-F445 HydrophobicContact CG2-CE1 4.13Å; V411-F445 HydrophobicContact CG2-CG 4.19Å; V415-F445 HydrophobicContact CG2-CZ 4.1Å; L443-F445 HydrophobicContact CB-CD2 4.33Å; L443-F445 HydrophobicContact CB-CE2 4.12Å; L443-F445 HydrophobicContact CD1-CE2 4.2Å; F445-I447 HydrophobicContact CB-CD1 4.13Å; F445-I447 HydrophobicContact CB-CG1 4.23Å; F445-L457 HydrophobicContact CD1-CD1 3.91Å; F445-L457 HydrophobicContact CE1-CD1 4.43Å; F445-V460 HydrophobicContact CD1-CG1 4.48Å; F445-V460 HydrophobicContact CD1-CG2 3.83Å; F445-V460 HydrophobicContact CD2-CG1 3.8Å; F445-V460 HydrophobicContact CE1-CG1 4.33Å; F445-V460 HydrophobicContact CE1-CG2 3.62Å; F445-V460 HydrophobicContact CE2-CG1 3.63Å; F445-V460 HydrophobicContact CE2-CG2 4.42Å; F445-V460 HydrophobicContact CG-CG1 4.23Å; F445-V460 HydrophobicContact CG-CG2 4.3Å; F445-V460 HydrophobicContact CZ-CG1 3.91Å; F445-V460 HydrophobicContact CZ-CG2 3.94Å
446	D	98.3	Very high	96.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.011	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	103.6	177.6	-67.2	47.8	0	0	0	107.7	R317 R339 L458 E459 N461	R317-D446 IonicContact CZ-OD1 3.16Å; R317-D446 IonicContact CZ-OD2 3.35Å; R317-D446 IonicContact NE-OD1 2.7Å; R317-D446 PolarHBondContact NE-OD1 2.94Å; R317-D446 IonicContact NE-OD2 2.79Å; R317-D446 IonicContact NH2-OD1 3.9Å; R317-D446 PolarHBondContact NH2-OD1 2.95Å; R317-D446 IonicContact NH2-OD2 3.75Å; R317-D446 PolarHBondContact NH2-OD2 2.81Å; R339-D446 IonicContact CZ-OD2 2.67Å; R339-D446 IonicContact NH1-OD2 3.26Å; R339-D446 PolarHBondContact NH1-OD2 2.65Å; R339-D446 VanDerWaalsContact NH1-OD2 3.16Å; R339-D446 IonicContact NH2-OD2 3.91Å; R339-D446 PolarHBondContact NH2-OD2 2.72Å; D446-L458 HydrophobicContact CB-CB 4.29Å; D446-L458 WeakPolarHBondContact O-CB 3.41Å; D446-L458 PolarHBondContact O-N 3.03Å; D446-E459 HydrophobicContact CB-CG 3.73Å; D446-E459 PolarHBondContact N-O 2.84Å; D446-N461 PolarHBondContact OD1-ND2 3.02Å
447	I	98.8	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.3	-169.6	-60.5	169.8	0	0	0	109.8	I316 L318 I407 L410 V411 F445 P455 V456	I316-I447 HydrophobicContact CB-CB 4.38Å; I316-I447 PolarHBondContact N-O 2.85Å; I316-I447 PolarHBondContact O-N 2.97Å; L318-I447 HydrophobicContact CB-CD1 4.48Å; L318-I447 HydrophobicContact CD2-CD1 4.16Å; I407-I447 HydrophobicContact CG2-CD1 4.16Å; L410-I447 HydrophobicContact CD1-CG1 4.48Å; L410-I447 HydrophobicContact CD1-CG2 4.2Å; L410-I447 HydrophobicContact CD2-CD1 3.87Å; L410-I447 HydrophobicContact CD2-CG1 4.06Å; V411-I447 HydrophobicContact CG2-CD1 4.36Å; F445-I447 HydrophobicContact CB-CD1 4.13Å; F445-I447 HydrophobicContact CB-CG1 4.23Å; I447-P455 HydrophobicContact CG2-CB 3.81Å; I447-V456 CarbonylContact C-O 3.43Å; I447-V456 WeakPolarHBondContact CA-O 3.5Å
448	L	98.6	Very high	97.7	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.7	172.5	-178.5	59.3	0	0	0	109.7	I303 P306 F314 P455 V456 L458	I303-L448 HydrophobicContact CB-CD2 3.73Å; I303-L448 HydrophobicContact CG1-CD2 4.23Å; I303-L448 HydrophobicContact CG2-CD2 3.72Å; P306-L448 HydrophobicContact CB-CD1 3.94Å; P306-L448 HydrophobicContact CB-CD2 4.37Å; P306-L448 HydrophobicContact CB-CG 4.44Å; F314-L448 WeakPolarHBondContact O-CD1 3.13Å; L448-P455 CarbonylContact O-C 3.56Å; L448-P455 WeakPolarHBondContact O-CA 3.39Å; L448-V456 PolarHBondContact N-O 2.99Å; L448-V456 PolarHBondContact O-N 2.72Å; L448-L458 HydrophobicContact CB-CD1 4.07Å; L448-L458 HydrophobicContact CB-CD2 3.88Å; L448-L458 HydrophobicContact CB-CG 3.97Å; L448-L458 HydrophobicContact CD2-CD2 4.16Å
449	L	98.4	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.2	165.3	-65.1	-179	0	0	0	109.2	L307 F314 I316 L393 V403 I407 P455	L307-L449 HydrophobicContact CB-CB 3.9Å; L307-L449 WeakPolarHBondContact CB-O 3.41Å; L307-L449 HydrophobicContact CD2-CB 3.87Å; L307-L449 HydrophobicContact CD2-CD1 3.79Å; L307-L449 PolarHBondContact N-O 3.45Å; F314-L449 HydrophobicContact CZ-CD1 4.49Å; I316-L449 HydrophobicContact CD1-CD1 3.97Å; I316-L449 HydrophobicContact CD1-CD2 4.36Å; I316-L449 HydrophobicContact CD1-CG 3.87Å; L393-L449 HydrophobicContact CD1-CD1 4.39Å; V403-L449 HydrophobicContact CG1-CD1 4.27Å; V403-L449 HydrophobicContact CG1-CD2 4.05Å; I407-L449 HydrophobicContact CD1-CD2 4.47Å; L449-P455 HydrophobicContact CD2-CB 3.97Å
450	M	97.9	Very high	97.9	Very high	41 Å²	41	25 Å²	25	20%	0.202	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-78.6	164.6	170	-69.1	-176	73.9	0	0	111.4	I303 N452 L453 K454 V456	I303-M450 HydrophobicContact CG2-CE 4.39Å; I303-M450 HydrophobicContact CG2-CG 3.87Å; M450-N452 WeakPolarHBondContact CB-OD1 3.48Å; M450-N452 PolarHBondContact O-N 2.94Å; M450-N452 VanDerWaalsContact O-N 3.15Å; M450-L453 WeakPolarHBondContact O-CA 3.49Å; M450-L453 PolarHBondContact O-N 3.49Å; M450-K454 HydrophobicContact CB-CB 4.49Å; M450-K454 PolarHBondContact N-O 3.37Å; M450-K454 HydrophobicContact SD-CB 4.45Å; M450-K454 HydrophobicContact SD-CD 4.46Å; M450-V456 HydrophobicContact CG-CG2 3.76Å; M450-V456 HydrophobicContact SD-CG2 3.59Å; M450-V456 VanDerWaalsContact SD-CG2 3.59Å
451	K	97	Very high	97.8	Very high	162 Å²	162	26.9 Å²	26.9	70%	0.704	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.8	176.6	-175.9	179.1	177.4	-177.5	0	113.3	K305 L453	K305-K451 HydrophobicContact CB-CB 4.45Å; K305-K451 PolarHBondContact O-N 2.89Å; K451-L453 VanDerWaalsContact C-N 3.26Å; K451-L453 PolarHBondContact O-N 2.87Å
452	N	96.8	Very high	97.6	Very high	112 Å²	112	27.6 Å²	27.6	60%	0.599	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	16.2	173.4	69.2	-12.7	0	0	0	113.5	M450 K454	M450-N452 WeakPolarHBondContact CB-OD1 3.48Å; M450-N452 PolarHBondContact O-N 2.94Å; M450-N452 VanDerWaalsContact O-N 3.15Å; N452-K454 PolarHBondContact O-N 3.35Å; N452-K454 VanDerWaalsContact O-N 3.12Å; N452-K454 WeakPolarHBondContact OD1-CB 3.17Å; N452-K454 PolarHBondContact OD1-N 3.4Å
453	L	97.4	Very high	97.4	Very high	49 Å²	49	29 Å²	29	26%	0.257	14%	0.144	S	C	.	.	S	Bend	trans	66.7	-1.9	-179.7	-51.6	169.5	0	0	0	116.4	L307 V398 V403 M450 K451	L307-L453 HydrophobicContact CD1-CD2 4.25Å; L307-L453 HydrophobicContact CD2-CD2 3.93Å; V398-L453 HydrophobicContact CB-CD1 4.48Å; V398-L453 HydrophobicContact CG1-CD1 3.52Å; V398-L453 HydrophobicContact CG1-CD2 4.12Å; V398-L453 HydrophobicContact CG1-CG 4.44Å; V398-L453 HydrophobicContact CG2-CD1 4.27Å; V398-L453 HydrophobicContact CG2-CD2 4.44Å; V403-L453 HydrophobicContact CG2-CB 4.04Å; V403-L453 HydrophobicContact CG2-CD1 4.4Å; M450-L453 WeakPolarHBondContact O-CA 3.49Å; M450-L453 PolarHBondContact O-N 3.49Å; K451-L453 VanDerWaalsContact C-N 3.26Å; K451-L453 PolarHBondContact O-N 2.87Å
454	K	97.6	Very high	97.2	Very high	54 Å²	54	29.1 Å²	29.1	24%	0.235	15%	0.146	C	C	.	.			trans	-61.5	129.1	174.5	179.7	177.7	168.2	-175.1	0	110.3	D231 M450 N452	D231-K454 PolarHBondContact O-NZ 3.11Å; D231-K454 VanDerWaalsContact OD1-CE 3.28Å; D231-K454 WeakPolarHBondContact OD1-CE 3.28Å; D231-K454 IonicContact OD1-NZ 3.4Å; D231-K454 PolarHBondContact OD1-NZ 3.34Å; D231-K454 IonicContact OD2-NZ 2.73Å; D231-K454 PolarHBondContact OD2-NZ 3.01Å; M450-K454 HydrophobicContact CB-CB 4.49Å; M450-K454 PolarHBondContact N-O 3.37Å; M450-K454 HydrophobicContact SD-CB 4.45Å; M450-K454 HydrophobicContact SD-CD 4.46Å; N452-K454 PolarHBondContact O-N 3.35Å; N452-K454 VanDerWaalsContact O-N 3.12Å; N452-K454 WeakPolarHBondContact OD1-CB 3.17Å; N452-K454 PolarHBondContact OD1-N 3.4Å
455	P	98.4	Very high	97	Very high	7 Å²	7	32 Å²	32	5%	0.045	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.8	172.9	32.9	-33.9	0	0	0	111.2	D406 I407 L410 I447 L448 L449	D406-P455 HydrophobicContact CB-CG 3.75Å; I407-P455 HydrophobicContact CG1-CB 3.92Å; I407-P455 HydrophobicContact CG1-CG 4.26Å; L410-P455 HydrophobicContact CD1-CB 3.86Å; L410-P455 HydrophobicContact CD1-CG 4.24Å; I447-P455 HydrophobicContact CG2-CB 3.81Å; L448-P455 CarbonylContact O-C 3.56Å; L448-P455 WeakPolarHBondContact O-CA 3.39Å; L449-P455 HydrophobicContact CD2-CB 3.97Å
456	V	98.5	Very high	96.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.9	179.6	174.2	0	0	0	0	109.5	F232 P234 I303 I447 L448 M450	F232-V456 CarbonylContact O-C 2.79Å; F232-V456 VanDerWaalsContact O-CA 3.3Å; F232-V456 WeakPolarHBondContact O-CA 3.46Å; F232-V456 WeakPolarHBondContact O-CG1 3.37Å; P234-V456 HydrophobicContact CG-CG1 3.81Å; I303-V456 HydrophobicContact CD1-CG1 4.17Å; I303-V456 HydrophobicContact CG1-CG1 4.14Å; I447-V456 CarbonylContact C-O 3.43Å; I447-V456 WeakPolarHBondContact CA-O 3.5Å; L448-V456 PolarHBondContact N-O 2.99Å; L448-V456 PolarHBondContact O-N 2.72Å; M450-V456 HydrophobicContact CG-CG2 3.76Å; M450-V456 HydrophobicContact SD-CG2 3.59Å; M450-V456 VanDerWaalsContact SD-CG2 3.59Å
457	L	98.6	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.4	179.1	177.6	68.3	0	0	0	110.9	L215 F232 Y233 L410 F445 E459 V460	L215-L457 HydrophobicContact CD2-CD2 4.49Å; F232-L457 HydrophobicContact CD2-CB 4.02Å; F232-L457 HydrophobicContact CE2-CB 4.31Å; F232-L457 HydrophobicContact CE2-CD2 4.28Å; F232-L457 PolarHBondContact O-N 3.01Å; Y233-L457 HydrophobicContact CD2-CB 4.11Å; Y233-L457 HydrophobicContact CD2-CD2 4.07Å; Y233-L457 HydrophobicContact CD2-CG 4.21Å; Y233-L457 WeakPolarHBondContact CD2-O 3.38Å; Y233-L457 HydrophobicContact CE2-CD2 4.37Å; Y233-L457 HydrophobicContact CE2-CG 4.49Å; L410-L457 HydrophobicContact CD1-CB 4.34Å; L410-L457 HydrophobicContact CD2-CB 4.24Å; L410-L457 HydrophobicContact CD2-CD1 4.25Å; L410-L457 HydrophobicContact CG-CB 4.48Å; F445-L457 HydrophobicContact CD1-CD1 3.91Å; F445-L457 HydrophobicContact CE1-CD1 4.43Å; L457-E459 WeakPolarHBondContact CD1-O 3.46Å; L457-V460 HydrophobicContact CD1-CG2 3.8Å; L457-V460 HydrophobicContact CD2-CG2 4.14Å
458	L	96.4	Very high	96.5	Very high	31 Å²	31	36.5 Å²	36.5	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-45.3	176.3	-58.6	-176.1	0	0	0	112.7	K267 D315 D446 L448	K267-L458 PolarHBondContact NZ-O 2.67Å; D315-L458 HydrophobicContact CB-CD1 4.2Å; D446-L458 HydrophobicContact CB-CB 4.29Å; D446-L458 WeakPolarHBondContact O-CB 3.41Å; D446-L458 PolarHBondContact O-N 3.03Å; L448-L458 HydrophobicContact CB-CD1 4.07Å; L448-L458 HydrophobicContact CB-CD2 3.88Å; L448-L458 HydrophobicContact CB-CG 3.97Å; L448-L458 HydrophobicContact CD2-CD2 4.16Å
459	E	95	Very high	96.2	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	166.9	175.3	57.6	177.2	-142.3	0	0	110.7	D446 L457 N461	D446-E459 HydrophobicContact CB-CG 3.73Å; D446-E459 PolarHBondContact N-O 2.84Å; L457-E459 WeakPolarHBondContact CD1-O 3.46Å; E459-N461 PolarHBondContact OE1-ND2 3.15Å
460	V	97.4	Very high	95.8	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.9	168	-171	0	0	0	0	108.9	L210 L215 L443 F445 L457	L210-V460 HydrophobicContact CD1-CB 4.2Å; L210-V460 HydrophobicContact CD1-CG1 3.8Å; L210-V460 HydrophobicContact CD2-CB 4.14Å; L210-V460 HydrophobicContact CD2-CG1 4.4Å; L215-V460 HydrophobicContact CD2-CG2 4.26Å; L443-V460 HydrophobicContact CB-CG1 4.11Å; L443-V460 HydrophobicContact CD1-CG1 4.33Å; F445-V460 HydrophobicContact CD1-CG1 4.48Å; F445-V460 HydrophobicContact CD1-CG2 3.83Å; F445-V460 HydrophobicContact CD2-CG1 3.8Å; F445-V460 HydrophobicContact CE1-CG1 4.33Å; F445-V460 HydrophobicContact CE1-CG2 3.62Å; F445-V460 HydrophobicContact CE2-CG1 3.63Å; F445-V460 HydrophobicContact CE2-CG2 4.42Å; F445-V460 HydrophobicContact CG-CG1 4.23Å; F445-V460 HydrophobicContact CG-CG2 4.3Å; F445-V460 HydrophobicContact CZ-CG1 3.91Å; F445-V460 HydrophobicContact CZ-CG2 3.94Å; L457-V460 HydrophobicContact CD1-CG2 3.8Å; L457-V460 HydrophobicContact CD2-CG2 4.14Å
461	N	95.9	Very high	95.4	Very high	40 Å²	40	42.1 Å²	42.1	21%	0.214	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.8	178.4	-79.9	-93.6	0	0	0	110.7	R317 L443 G444 D446 E459 N463 P464	R317-N461 PolarHBondContact NH2-ND2 2.76Å; L443-N461 WeakPolarHBondContact CA-O 3.39Å; G444-N461 PolarHBondContact N-O 3.46Å; G444-N461 WeakPolarHBondContact O-CB 3.33Å; G444-N461 PolarHBondContact O-N 3.35Å; D446-N461 PolarHBondContact OD1-ND2 3.02Å; E459-N461 PolarHBondContact OE1-ND2 3.15Å; N461-N463 VanDerWaalsContact C-N 3.28Å; N461-N463 PolarHBondContact O-N 3.2Å; N461-P464 HydrophobicContact CB-CB 4.43Å
462	S	94.9	Very high	94.9	Very high	15 Å²	15	38.9 Å²	38.9	11%	0.105	20%	0.196	C	C	.	.	S	Bend	trans	-66.4	-28	173.6	56.3	0	0	0	0	113.5	Q441	Q441-S462 PolarHBondContact NE2-O 2.95Å
463	N	93.7	Very high	94.4	Very high	44 Å²	44	38.5 Å²	38.5	24%	0.235	19%	0.191	C	C	.	.	S	Bend	trans	-132.1	69.3	-178.9	-63	-56.2	0	0	0	109.7	G186 K202 V207 N461	G186-N463 PolarHBondContact O-OD1 3.15Å; G186-N463 VanDerWaalsContact O-OD1 3.12Å; K202-N463 PolarHBondContact NZ-OD1 3.38Å; V207-N463 WeakPolarHBondContact CG2-ND2 3.46Å; N461-N463 VanDerWaalsContact C-N 3.28Å; N461-N463 PolarHBondContact O-N 3.2Å
464	P	94.9	Very high	94	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.052	20%	0.199	C	C	.	.			trans	-62.9	145.5	179.7	29.4	-35.4	0	0	0	110.6	Y319 I442 N461 M466	Y319-P464 HydrophobicContact CE1-CB 4.14Å; Y319-P464 HydrophobicContact CE1-CG 4.31Å; I442-P464 HydrophobicContact CG2-CG 4.44Å; N461-P464 HydrophobicContact CB-CB 4.43Å; P464-M466 HydrophobicContact CG-SD 4.27Å; P464-M466 PolarHBondContact O-N 2.98Å
465	S	92.9	Very high	93.5	Very high	59 Å²	59	39.1 Å²	39.1	41%	0.413	21%	0.206	S	C	.	.			trans	-65.3	121.5	172.7	-175.5	0	0	0	0	110.1	K491	S465-K491 WeakPolarHBondContact O-CE 3.43Å; S465-K491 PolarHBondContact O-NZ 2.9Å
466	M	95.7	Very high	93.1	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.03	24%	0.243	C	C	.	.			trans	-104.6	12.3	175.7	-58.9	-55.6	-72.9	0	0	112.4	T155 Y319 P464 K491 V494 I495	T155-M466 CarbonylContact O-C 3.23Å; Y319-M466 HydrophobicContact CD1-CE 4.47Å; Y319-M466 HydrophobicContact CD1-SD 4.09Å; Y319-M466 HydrophobicContact CE1-CE 4.21Å; Y319-M466 HydrophobicContact CE1-SD 3.47Å; Y319-M466 WeakPolarHBondContact CE1-SD 3.33Å; P464-M466 HydrophobicContact CG-SD 4.27Å; P464-M466 PolarHBondContact O-N 2.98Å; M466-K491 HydrophobicContact CE-CB 3.99Å; M466-K491 HydrophobicContact CE-CG 4Å; M466-K491 HydrophobicContact SD-CG 4.4Å; M466-V494 HydrophobicContact CE-CB 4.48Å; M466-V494 HydrophobicContact CE-CG1 4.12Å; M466-I495 HydrophobicContact CB-CD1 4.18Å; M466-I495 HydrophobicContact CE-CD1 3.86Å; M466-I495 HydrophobicContact CE-CG1 3.66Å; M466-I495 HydrophobicContact CG-CD1 4.45Å
467	R	94.9	Very high	92.7	Very high	85 Å²	85	47.5 Å²	47.5	32%	0.321	27%	0.271	S	S	.	.			trans	-63.2	136.6	175.8	-168.1	-164.6	-89.8	-81.3	19.1	109.1	T155 E469 K491	T155-R467 VanDerWaalsContact O-CA 3.31Å; T155-R467 WeakPolarHBondContact O-CA 3.29Å; T155-R467 PolarHBondContact O-N 3.35Å; R467-E469 WeakPolarHBondContact CD-O 3.46Å; R467-E469 WeakPolarHBondContact CD-OE2 3.44Å; R467-E469 HydrophobicContact CG-CB 4.42Å; R467-E469 WeakPolarHBondContact CG-OE2 3.36Å; R467-E469 IonicContact CZ-OE2 2.7Å; R467-E469 IonicContact NH1-OE1 3.56Å; R467-E469 IonicContact NH1-OE2 2.86Å; R467-E469 PolarHBondContact NH1-OE2 3.38Å; R467-K491 WeakPolarHBondContact O-CD 3.31Å; R467-K491 PolarHBondContact O-NZ 2.95Å
468	I	95.2	Very high	92.3	Very high	9 Å²	9	51 Å²	51	5%	0.046	29%	0.292	C	S	.	.			trans	-105.9	-4.2	179.4	55.2	169.2	0	0	0	113.2	E158 A159 L162 S484 E488 K491 V492	E158-I468 HydrophobicContact CB-CD1 4.23Å; E158-I468 HydrophobicContact CB-CG1 4.35Å; A159-I468 HydrophobicContact CB-CD1 4.21Å; A159-I468 HydrophobicContact CB-CG1 4.4Å; A159-I468 HydrophobicContact CB-CG2 3.77Å; L162-I468 HydrophobicContact CD1-CD1 3.63Å; I468-S484 PolarHBondContact O-N 3.03Å; I468-E488 HydrophobicContact CB-CB 4.14Å; I468-E488 HydrophobicContact CB-CG 4.45Å; I468-E488 HydrophobicContact CD1-CG 4.02Å; I468-E488 HydrophobicContact CG2-CB 4.3Å; I468-K491 HydrophobicContact CG2-CB 3.83Å; I468-K491 HydrophobicContact CG2-CD 4.01Å; I468-V492 HydrophobicContact CD1-CG2 4.34Å; I468-V492 HydrophobicContact CG2-CG2 4.46Å
469	E	93.4	Very high	91.9	Very high	47 Å²	47	54.9 Å²	54.9	22%	0.22	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	162.9	168.3	-42	115.9	136	0	0	111.3	R467 Y481 V482	R467-E469 WeakPolarHBondContact CD-O 3.46Å; R467-E469 WeakPolarHBondContact CD-OE2 3.44Å; R467-E469 HydrophobicContact CG-CB 4.42Å; R467-E469 WeakPolarHBondContact CG-OE2 3.36Å; R467-E469 IonicContact CZ-OE2 2.7Å; R467-E469 IonicContact NH1-OE1 3.56Å; R467-E469 IonicContact NH1-OE2 2.86Å; R467-E469 PolarHBondContact NH1-OE2 3.38Å; E469-Y481 HydrophobicContact CB-CD1 4.24Å; E469-V482 CarbonylContact C-O 3.52Å; E469-V482 WeakPolarHBondContact CA-O 3.49Å; E469-V482 VanDerWaalsContact CB-O 3.28Å; E469-V482 WeakPolarHBondContact CB-O 3.45Å
470	H	89.2	Confident	91.8	Very high	15 Å²	15	58.5 Å²	58.5	7%	0.069	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	158.7	163.4	62.7	-77.4	0	0	0	110.6	Y363 H374 Y481 V482 P483	Y363-H470 WeakPolarHBondContact OH-CB 3.28Å; H374-H470 AromaticContact CE1-CD2 3.14Å; H374-H470 PolarHBondContact CE1-CD2 3.38Å; H374-H470 AromaticContact CE1-CG 3.85Å; H374-H470 AromaticContact CE1-NE2 3.65Å; H374-H470 AromaticContact CG-NE2 3.81Å; H374-H470 AromaticContact ND1-CD2 3Å; H374-H470 PolarHBondContact ND1-CD2 3.22Å; H374-H470 AromaticContact ND1-CE1 3.8Å; H374-H470 AromaticContact ND1-CG 3.72Å; H374-H470 AromaticContact ND1-NE2 2.99Å; H374-H470 PolarHBondContact ND1-NE2 2.99Å; H470-Y481 CarbonylContact O-C 3.55Å; H470-Y481 WeakPolarHBondContact O-CA 3.32Å; H470-V482 VanDerWaalsContact CE1-CG2 3.4Å; H470-V482 WeakPolarHBondContact CE1-CG2 3.17Å; H470-V482 PolarHBondContact N-O 3.47Å; H470-V482 PolarHBondContact ND1-O 3.02Å; H470-V482 WeakPolarHBondContact NE2-CG2 3.35Å; H470-V482 WeakPolarHBondContact O-CG2 3.35Å; H470-V482 PolarHBondContact O-N 3.25Å; H470-P483 PolarHBondContact CE1-O 3Å; H470-P483 VanDerWaalsContact CE1-O 3.29Å; H470-P483 PolarHBondContact ND1-O 2.59Å
471	E	89.4	Confident	91.5	Very high	99 Å²	99	63.3 Å²	63.3	46%	0.463	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.9	173.8	-167.9	161.5	-116.6	0	0	108.1	F479 E480 Y481	E471-F479 HydrophobicContact CG-CB 3.93Å; E471-F479 HydrophobicContact CG-CD1 4.08Å; E471-F479 HydrophobicContact CG-CG 4.35Å; E471-E480 WeakPolarHBondContact CA-O 3.25Å; E471-Y481 HydrophobicContact CB-CE1 4.07Å; E471-Y481 VanDerWaalsContact OE1-CZ 3.29Å; E471-Y481 PolarHBondContact OE1-OH 3.18Å
472	Q	86.2	Confident	91.3	Very high	93 Å²	93	62.8 Å²	62.8	44%	0.435	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.8	179.8	-177	176.3	18.4	0	0	109.7	V474 F479 E480 V482	Q472-V474 PolarHBondContact O-N 3.41Å; Q472-F479 WeakPolarHBondContact O-CA 3.27Å; Q472-E480 PolarHBondContact N-O 2.99Å; Q472-E480 PolarHBondContact O-N 3.37Å; Q472-V482 HydrophobicContact CB-CG2 3.58Å
473	E	86.9	Confident	91.1	Very high	104 Å²	104	66 Å²	66	49%	0.486	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.1	170.7	-166.1	168.2	-163.6	0	0	109.2	A475 P476 G477 V478 F479	E473-A475 VanDerWaalsContact CG-O 3.26Å; E473-A475 WeakPolarHBondContact CG-O 3.49Å; E473-P476 WeakPolarHBondContact OE1-CA 3.29Å; E473-G477 PolarHBondContact OE1-N 3.3Å; E473-V478 WeakPolarHBondContact CA-O 3.3Å; E473-F479 HydrophobicContact CB-CD1 3.95Å; E473-F479 HydrophobicContact CB-CE1 3.64Å; E473-F479 HydrophobicContact CB-CZ 4.2Å; E473-F479 HydrophobicContact CG-CD1 4.48Å; E473-F479 HydrophobicContact CG-CE1 4.06Å; E473-F479 HydrophobicContact CG-CZ 4.12Å
474	V	88.7	Confident	91.1	Very high	72 Å²	72	64.2 Å²	64.2	44%	0.436	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-23	-179.1	-63.6	0	0	0	0	112.5	Q472 V478 E480	Q472-V474 PolarHBondContact O-N 3.41Å; V474-V478 HydrophobicContact CG2-CB 4.33Å; V474-V478 HydrophobicContact CG2-CG1 3.9Å; V474-V478 PolarHBondContact N-O 2.86Å; V474-E480 HydrophobicContact CG1-CB 4.06Å; V474-E480 HydrophobicContact CG1-CG 4.24Å; V474-E480 HydrophobicContact CG2-CB 4.45Å; V474-E480 HydrophobicContact CG2-CG 3.8Å
475	A	87.8	Confident	90.9	Very high	45 Å²	45	66.3 Å²	66.3	37%	0.372	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.3	169.6	0	0	0	0	0	108.5	E473 G477 V478	E473-A475 VanDerWaalsContact CG-O 3.26Å; E473-A475 WeakPolarHBondContact CG-O 3.49Å; A475-G477 PolarHBondContact O-N 2.72Å; A475-G477 VanDerWaalsContact O-N 3.08Å; A475-V478 HydrophobicContact CB-CB 4.19Å; A475-V478 HydrophobicContact CB-CG2 4.3Å; A475-V478 WeakPolarHBondContact O-CA 3.45Å; A475-V478 WeakPolarHBondContact O-CB 3.37Å; A475-V478 PolarHBondContact O-N 3.26Å
476	P	90	Very high	90.9	Very high	127 Å²	127	63.6 Å²	63.6	83%	0.825	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	115.3	-174.8	-29.6	36.9	0	0	0	113.9	E473 V478	E473-P476 WeakPolarHBondContact OE1-CA 3.29Å; P476-V478 VanDerWaalsContact C-N 3.3Å; P476-V478 PolarHBondContact O-N 2.84Å
477	G	88.4	Confident	90.9	Very high	59 Å²	59	63.8 Å²	63.8	61%	0.608	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.8	-176.3	0	0	0	0	0	115.8	E473 A475	E473-G477 PolarHBondContact OE1-N 3.3Å; A475-G477 PolarHBondContact O-N 2.72Å; A475-G477 VanDerWaalsContact O-N 3.08Å
478	V	90.6	Very high	90.9	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.7	-179.7	-175.1	0	0	0	0	109.4	E473 V474 A475 P476	E473-V478 WeakPolarHBondContact CA-O 3.3Å; V474-V478 HydrophobicContact CG2-CB 4.33Å; V474-V478 HydrophobicContact CG2-CG1 3.9Å; V474-V478 PolarHBondContact N-O 2.86Å; A475-V478 HydrophobicContact CB-CB 4.19Å; A475-V478 HydrophobicContact CB-CG2 4.3Å; A475-V478 WeakPolarHBondContact O-CA 3.45Å; A475-V478 WeakPolarHBondContact O-CB 3.37Å; A475-V478 PolarHBondContact O-N 3.26Å; P476-V478 VanDerWaalsContact C-N 3.3Å; P476-V478 PolarHBondContact O-N 2.84Å
479	F	89.6	Confident	90.7	Very high	113 Å²	113	67.1 Å²	67.1	50%	0.496	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.6	-178.3	-64.5	-90.8	0	0	0	111.2	E471 Q472 E473	E471-F479 HydrophobicContact CG-CB 3.93Å; E471-F479 HydrophobicContact CG-CD1 4.08Å; E471-F479 HydrophobicContact CG-CG 4.35Å; Q472-F479 WeakPolarHBondContact O-CA 3.27Å; E473-F479 HydrophobicContact CB-CD1 3.95Å; E473-F479 HydrophobicContact CB-CE1 3.64Å; E473-F479 HydrophobicContact CB-CZ 4.2Å; E473-F479 HydrophobicContact CG-CD1 4.48Å; E473-F479 HydrophobicContact CG-CE1 4.06Å; E473-F479 HydrophobicContact CG-CZ 4.12Å
480	E	92.1	Very high	90.9	Very high	107 Å²	107	65.1 Å²	65.1	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.4	175.2	-68.9	-171.1	175.7	0	0	111.5	E471 Q472 V474	E471-E480 WeakPolarHBondContact CA-O 3.25Å; Q472-E480 PolarHBondContact N-O 2.99Å; Q472-E480 PolarHBondContact O-N 3.37Å; V474-E480 HydrophobicContact CG1-CB 4.06Å; V474-E480 HydrophobicContact CG1-CG 4.24Å; V474-E480 HydrophobicContact CG2-CB 4.45Å; V474-E480 HydrophobicContact CG2-CG 3.8Å
481	Y	91.1	Very high	91.3	Very high	108 Å²	108	64.9 Å²	64.9	42%	0.424	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	103.2	175.3	-78.9	-84.3	0	0	0	110.1	E469 H470 E471	E469-Y481 HydrophobicContact CB-CD1 4.24Å; H470-Y481 CarbonylContact O-C 3.55Å; H470-Y481 WeakPolarHBondContact O-CA 3.32Å; E471-Y481 HydrophobicContact CB-CE1 4.07Å; E471-Y481 VanDerWaalsContact OE1-CZ 3.29Å; E471-Y481 PolarHBondContact OE1-OH 3.18Å
482	V	91.4	Very high	91.7	Very high	30 Å²	30	60.6 Å²	60.6	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	-178.3	-73.9	0	0	0	0	111.2	E469 H470 Q472	E469-V482 CarbonylContact C-O 3.52Å; E469-V482 WeakPolarHBondContact CA-O 3.49Å; E469-V482 VanDerWaalsContact CB-O 3.28Å; E469-V482 WeakPolarHBondContact CB-O 3.45Å; H470-V482 VanDerWaalsContact CE1-CG2 3.4Å; H470-V482 WeakPolarHBondContact CE1-CG2 3.17Å; H470-V482 PolarHBondContact N-O 3.47Å; H470-V482 PolarHBondContact ND1-O 3.02Å; H470-V482 WeakPolarHBondContact NE2-CG2 3.35Å; H470-V482 WeakPolarHBondContact O-CG2 3.35Å; H470-V482 PolarHBondContact O-N 3.25Å; Q472-V482 HydrophobicContact CB-CG2 3.58Å
483	P	91.6	Very high	92.2	Very high	82 Å²	82	56.5 Å²	56.5	53%	0.532	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	151.3	176.4	-26.4	35.2	0	0	0	112.9	H470	H470-P483 PolarHBondContact CE1-O 3Å; H470-P483 VanDerWaalsContact CE1-O 3.29Å; H470-P483 PolarHBondContact ND1-O 2.59Å
484	S	92.4	Very high	92.7	Very high	7 Å²	7	51.7 Å²	51.7	5%	0.049	30%	0.298	C	S	.	.			trans	-125.1	100.7	170.7	-170.3	0	0	0	0	108.4	K383 I468 V486 D487 E488	K383-S484 PolarHBondContact NZ-OG 2.8Å; I468-S484 PolarHBondContact O-N 3.03Å; S484-V486 PolarHBondContact O-N 2.8Å; S484-V486 VanDerWaalsContact O-N 3.14Å; S484-D487 PolarHBondContact O-N 3.47Å; S484-E488 PolarHBondContact O-N 3.04Å
485	P	92	Very high	93.2	Very high	52 Å²	52	48.2 Å²	48.2	34%	0.338	28%	0.277	S	S	.	.	H	α-helix	trans	-54.6	-38.1	-171.5	-31	37.5	0	0	0	114	D376 E488 Q489	D376-P485 HydrophobicContact CB-CG 4.08Å; D376-P485 WeakPolarHBondContact OD1-CD 3.47Å; D376-P485 WeakPolarHBondContact OD1-CG 3.47Å; P485-E488 PolarHBondContact O-N 3.42Å; P485-Q489 VanDerWaalsContact O-CB 3.28Å; P485-Q489 WeakPolarHBondContact O-CB 3.45Å; P485-Q489 PolarHBondContact O-N 3.16Å
486	V	92.4	Very high	93.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-38.6	176.6	-175.5	0	0	0	0	112	L337 S377 T385 S484 V490	L337-V486 HydrophobicContact CD2-CG1 3.87Å; S377-V486 WeakPolarHBondContact O-CG2 3.3Å; T385-V486 HydrophobicContact CG2-CG1 4.08Å; S484-V486 PolarHBondContact O-N 2.8Å; S484-V486 VanDerWaalsContact O-N 3.14Å; V486-V490 WeakPolarHBondContact O-CG2 3.48Å
487	D	94.9	Very high	94	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-71.9	-41.8	174.8	-83.7	-54.4	0	0	0	111.5	L337 K383 S484 V490 K491	L337-D487 WeakPolarHBondContact CD1-OD1 3.35Å; K383-D487 WeakPolarHBondContact CE-OD2 3.36Å; K383-D487 IonicContact NZ-OD2 3.6Å; K383-D487 PolarHBondContact NZ-OD2 3.12Å; S484-D487 PolarHBondContact O-N 3.47Å; D487-V490 PolarHBondContact O-N 3.22Å; D487-K491 HydrophobicContact CB-CD 4.04Å; D487-K491 VanDerWaalsContact CG-NZ 3.28Å; D487-K491 WeakPolarHBondContact O-CB 3.49Å; D487-K491 WeakPolarHBondContact O-CD 3.29Å; D487-K491 WeakPolarHBondContact O-CG 3.28Å; D487-K491 PolarHBondContact O-N 2.75Å; D487-K491 WeakPolarHBondContact OD1-CE 3.49Å; D487-K491 IonicContact OD1-NZ 3.74Å; D487-K491 PolarHBondContact OD1-NZ 3.1Å; D487-K491 IonicContact OD2-NZ 2.76Å
488	E	95.2	Very high	94.5	Very high	75 Å²	75	38.4 Å²	38.4	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-53.6	180	-168.7	177.2	141.5	0	0	112.1	L162 I468 S484 P485 V490 K491 V492	L162-E488 HydrophobicContact CD1-CG 4.4Å; I468-E488 HydrophobicContact CB-CB 4.14Å; I468-E488 HydrophobicContact CB-CG 4.45Å; I468-E488 HydrophobicContact CD1-CG 4.02Å; I468-E488 HydrophobicContact CG2-CB 4.3Å; S484-E488 PolarHBondContact O-N 3.04Å; P485-E488 PolarHBondContact O-N 3.42Å; E488-V490 PolarHBondContact O-N 2.77Å; E488-V490 VanDerWaalsContact O-N 3.16Å; E488-K491 PolarHBondContact O-N 2.89Å; E488-V492 HydrophobicContact CG-CG2 3.64Å; E488-V492 WeakPolarHBondContact O-CB 3.37Å; E488-V492 WeakPolarHBondContact O-CG2 3.37Å; E488-V492 PolarHBondContact O-N 2.93Å
489	Q	92.4	Very high	94.8	Very high	90 Å²	90	34.9 Å²	34.9	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-49.8	-43	179.2	-176.8	-168.1	12.6	0	0	112.2	Q378 P485	Q378-Q489 VanDerWaalsContact CD-NE2 3.26Å; Q378-Q489 VanDerWaalsContact CG-OE1 3.29Å; P485-Q489 VanDerWaalsContact O-CB 3.28Å; P485-Q489 WeakPolarHBondContact O-CB 3.45Å; P485-Q489 PolarHBondContact O-N 3.16Å
490	V	96.1	Very high	95.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-80.7	-50.6	-178.4	-177.3	0	0	0	0	111.4	Y319 E335 L337 V486 D487 E488 V494	Y319-V490 HydrophobicContact CD2-CG1 3.91Å; Y319-V490 HydrophobicContact CE2-CG1 3.85Å; E335-V490 HydrophobicContact CG-CG1 4.3Å; E335-V490 HydrophobicContact CG-CG2 3.65Å; L337-V490 HydrophobicContact CD2-CB 4.28Å; L337-V490 HydrophobicContact CD2-CG2 3.97Å; V486-V490 WeakPolarHBondContact O-CG2 3.48Å; D487-V490 PolarHBondContact O-N 3.22Å; E488-V490 PolarHBondContact O-N 2.77Å; E488-V490 VanDerWaalsContact O-N 3.16Å; V490-V494 VanDerWaalsContact O-CG2 3.31Å; V490-V494 WeakPolarHBondContact O-CG2 3.42Å; V490-V494 PolarHBondContact O-N 2.91Å
491	K	97.8	Very high	95.4	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-76.5	-38.9	-168.6	-70.9	159.9	169.8	168.7	0	113.4	Y319 S465 M466 R467 I468 D487 E488 G493 V494 I495	Y319-K491 WeakPolarHBondContact OH-CE 3.33Å; S465-K491 WeakPolarHBondContact O-CE 3.43Å; S465-K491 PolarHBondContact O-NZ 2.9Å; M466-K491 HydrophobicContact CE-CB 3.99Å; M466-K491 HydrophobicContact CE-CG 4Å; M466-K491 HydrophobicContact SD-CG 4.4Å; R467-K491 WeakPolarHBondContact O-CD 3.31Å; R467-K491 PolarHBondContact O-NZ 2.95Å; I468-K491 HydrophobicContact CG2-CB 3.83Å; I468-K491 HydrophobicContact CG2-CD 4.01Å; D487-K491 HydrophobicContact CB-CD 4.04Å; D487-K491 VanDerWaalsContact CG-NZ 3.28Å; D487-K491 WeakPolarHBondContact O-CB 3.49Å; D487-K491 WeakPolarHBondContact O-CD 3.29Å; D487-K491 WeakPolarHBondContact O-CG 3.28Å; D487-K491 PolarHBondContact O-N 2.75Å; D487-K491 WeakPolarHBondContact OD1-CE 3.49Å; D487-K491 IonicContact OD1-NZ 3.74Å; D487-K491 PolarHBondContact OD1-NZ 3.1Å; D487-K491 IonicContact OD2-NZ 2.76Å; E488-K491 PolarHBondContact O-N 2.89Å; K491-G493 VanDerWaalsContact C-N 3.34Å; K491-V494 PolarHBondContact O-N 3.41Å; K491-I495 WeakPolarHBondContact O-CG1 3.41Å; K491-I495 PolarHBondContact O-N 3.15Å
492	V	97.6	Very high	95.6	Very high	8 Å²	8	22.9 Å²	22.9	5%	0.048	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-44.9	174.6	-179.7	0	0	0	0	109.4	A159 L162 S163 E166 I468 E488 V494 I495 R496	A159-V492 HydrophobicContact CB-CG2 4.03Å; L162-V492 HydrophobicContact CB-CG1 4.08Å; L162-V492 HydrophobicContact CB-CG2 4.34Å; L162-V492 HydrophobicContact CD1-CG2 3.88Å; S163-V492 PolarHBondContact OG-O 3.32Å; E166-V492 WeakPolarHBondContact OE1-CG1 3.41Å; I468-V492 HydrophobicContact CD1-CG2 4.34Å; I468-V492 HydrophobicContact CG2-CG2 4.46Å; E488-V492 HydrophobicContact CG-CG2 3.64Å; E488-V492 WeakPolarHBondContact O-CB 3.37Å; E488-V492 WeakPolarHBondContact O-CG2 3.37Å; E488-V492 PolarHBondContact O-N 2.93Å; V492-V494 PolarHBondContact O-N 3Å; V492-I495 PolarHBondContact O-N 3.29Å; V492-R496 VanDerWaalsContact O-CB 3.25Å; V492-R496 WeakPolarHBondContact O-CB 3.49Å; V492-R496 PolarHBondContact O-N 3.26Å
493	G	97	Very high	95.8	Very high	7 Å²	7	23.3 Å²	23.3	7%	0.072	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-47.9	174.7	0	0	0	0	0	113.1	K491 D497	K491-G493 VanDerWaalsContact C-N 3.34Å; G493-D497 VanDerWaalsContact O-CB 3.23Å; G493-D497 WeakPolarHBondContact O-CB 3.49Å; G493-D497 VanDerWaalsContact O-CG 3.29Å; G493-D497 PolarHBondContact O-N 2.89Å
494	V	98.4	Very high	95.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-42.2	177.9	167.1	0	0	0	0	112.6	Y319 A333 I442 M466 V490 K491 V492 T498	Y319-V494 HydrophobicContact CD2-CG2 4.33Å; Y319-V494 HydrophobicContact CG-CG1 4.33Å; Y319-V494 HydrophobicContact CG-CG2 4.22Å; A333-V494 HydrophobicContact CB-CG2 3.86Å; I442-V494 HydrophobicContact CD1-CG1 4.05Å; I442-V494 HydrophobicContact CG2-CG1 4.19Å; M466-V494 HydrophobicContact CE-CB 4.48Å; M466-V494 HydrophobicContact CE-CG1 4.12Å; V490-V494 VanDerWaalsContact O-CG2 3.31Å; V490-V494 WeakPolarHBondContact O-CG2 3.42Å; V490-V494 PolarHBondContact O-N 2.91Å; K491-V494 PolarHBondContact O-N 3.41Å; V492-V494 PolarHBondContact O-N 3Å; V494-T498 VanDerWaalsContact O-CB 3.31Å; V494-T498 WeakPolarHBondContact O-CB 3.38Å; V494-T498 PolarHBondContact O-N 3.34Å; V494-T498 PolarHBondContact O-OG1 2.78Å
495	I	98.4	Very high	95.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.8	-51.2	179.7	-68.6	179.2	0	0	0	110.9	A159 L160 S163 W184 I442 M466 K491 V492 D497 T498 L499	A159-I495 HydrophobicContact CB-CD1 3.85Å; L160-I495 HydrophobicContact CB-CG2 4.35Å; L160-I495 HydrophobicContact CD1-CG2 3.67Å; S163-I495 WeakPolarHBondContact OG-CG2 3.47Å; W184-I495 HydrophobicContact CH2-CB 4.25Å; W184-I495 HydrophobicContact CH2-CG1 4.03Å; W184-I495 HydrophobicContact CH2-CG2 3.72Å; W184-I495 HydrophobicContact CZ2-CB 4.48Å; W184-I495 HydrophobicContact CZ2-CD1 4.05Å; W184-I495 HydrophobicContact CZ2-CG1 3.85Å; W184-I495 HydrophobicContact CZ2-CG2 4.01Å; W184-I495 HydrophobicContact CZ3-CG2 4.18Å; I442-I495 HydrophobicContact CD1-CG1 4.39Å; M466-I495 HydrophobicContact CB-CD1 4.18Å; M466-I495 HydrophobicContact CE-CD1 3.86Å; M466-I495 HydrophobicContact CE-CG1 3.66Å; M466-I495 HydrophobicContact CG-CD1 4.45Å; K491-I495 WeakPolarHBondContact O-CG1 3.41Å; K491-I495 PolarHBondContact O-N 3.15Å; V492-I495 PolarHBondContact O-N 3.29Å; I495-D497 VanDerWaalsContact C-N 3.33Å; I495-D497 PolarHBondContact O-N 3.37Å; I495-T498 WeakPolarHBondContact O-CB 3.31Å; I495-T498 PolarHBondContact O-N 3.29Å; I495-T498 VanDerWaalsContact O-N 3.15Å; I495-L499 HydrophobicContact CG2-CD1 4.27Å; I495-L499 WeakPolarHBondContact O-CG 3.29Å; I495-L499 PolarHBondContact O-N 3.14Å
496	R	97.8	Very high	94.9	Very high	24 Å²	24	24.8 Å²	24.8	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-55.7	-46.5	177.3	-179.3	-165.3	66.6	-139	-13.7	112	S163 E166 L167 V492 T498 L499 R500	S163-R496 PolarHBondContact OG-N 2.92Å; E166-R496 IonicContact OE1-NH1 3.6Å; E166-R496 WeakPolarHBondContact OE2-CD 3.33Å; E166-R496 IonicContact OE2-CZ 2.73Å; E166-R496 IonicContact OE2-NE 2.84Å; E166-R496 IonicContact OE2-NH1 2.98Å; E166-R496 PolarHBondContact OE2-NH1 3.25Å; L167-R496 HydrophobicContact CD1-CG 4.23Å; L167-R496 HydrophobicContact CD2-CG 4.02Å; L167-R496 HydrophobicContact CG-CG 4.05Å; V492-R496 VanDerWaalsContact O-CB 3.25Å; V492-R496 WeakPolarHBondContact O-CB 3.49Å; V492-R496 PolarHBondContact O-N 3.26Å; R496-T498 VanDerWaalsContact C-N 3.31Å; R496-T498 PolarHBondContact O-N 3.38Å; R496-L499 WeakPolarHBondContact O-CB 3.41Å; R496-L499 PolarHBondContact O-N 3.12Å; R496-R500 WeakPolarHBondContact O-CG 3.46Å; R496-R500 PolarHBondContact O-N 3.45Å
497	D	97.7	Very high	93.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-76.5	-22.5	-177.3	-65.3	-9	0	0	0	111.8	G493 I495 R500 L501 L546 C547 L548	G493-D497 VanDerWaalsContact O-CB 3.23Å; G493-D497 WeakPolarHBondContact O-CB 3.49Å; G493-D497 VanDerWaalsContact O-CG 3.29Å; G493-D497 PolarHBondContact O-N 2.89Å; I495-D497 VanDerWaalsContact C-N 3.33Å; I495-D497 PolarHBondContact O-N 3.37Å; D497-R500 WeakPolarHBondContact OD1-CD 3.38Å; D497-R500 IonicContact OD1-CZ 3.7Å; D497-R500 IonicContact OD1-NE 3.7Å; D497-R500 IonicContact OD1-NH1 3.62Å; D497-R500 PolarHBondContact OD1-NH1 2.88Å; D497-R500 IonicContact OD2-NH1 2.76Å; D497-L501 VanDerWaalsContact O-CG 3.31Å; D497-L501 WeakPolarHBondContact O-CG 3.23Å; D497-L501 PolarHBondContact O-N 3.09Å; D497-L546 HydrophobicContact CB-CD2 3.73Å; D497-L546 WeakPolarHBondContact OD2-CA 3.45Å; D497-C547 PolarHBondContact OD2-N 3.2Å; D497-C547 PolarHBondContact OD2-SG 2.8Å; D497-L548 HydrophobicContact CB-CD1 4.26Å; D497-L548 HydrophobicContact CB-CG 4.43Å
498	T	98.3	Very high	90.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-50.6	163.5	-62.7	0	0	0	0	110.5	W184 L321 F440 I442 V494 I495 R496 R500 L501 M502 L548	W184-T498 HydrophobicContact CH2-CG2 4.33Å; W184-T498 HydrophobicContact CZ3-CG2 4.33Å; L321-T498 HydrophobicContact CD1-CG2 3.83Å; L321-T498 HydrophobicContact CD2-CG2 3.93Å; F440-T498 HydrophobicContact CD2-CG2 3.81Å; F440-T498 HydrophobicContact CE2-CG2 3.64Å; I442-T498 HydrophobicContact CD1-CG2 4.27Å; I442-T498 HydrophobicContact CG1-CG2 4.35Å; V494-T498 VanDerWaalsContact O-CB 3.31Å; V494-T498 WeakPolarHBondContact O-CB 3.38Å; V494-T498 PolarHBondContact O-N 3.34Å; V494-T498 PolarHBondContact O-OG1 2.78Å; I495-T498 WeakPolarHBondContact O-CB 3.31Å; I495-T498 PolarHBondContact O-N 3.29Å; I495-T498 VanDerWaalsContact O-N 3.15Å; R496-T498 VanDerWaalsContact C-N 3.31Å; R496-T498 PolarHBondContact O-N 3.38Å; T498-R500 VanDerWaalsContact C-N 3.32Å; T498-R500 PolarHBondContact O-N 3.32Å; T498-L501 PolarHBondContact O-N 3.03Å; T498-M502 HydrophobicContact CG2-CG 4.43Å; T498-M502 WeakPolarHBondContact O-CG 3.39Å; T498-M502 PolarHBondContact O-N 2.69Å; T498-M502 VanDerWaalsContact O-N 3.07Å; T498-L548 WeakPolarHBondContact OG1-CD1 3.33Å
499	L	97.6	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-44	177.7	-68.6	174.6	0	0	0	111.5	L160 I164 L167 W169 I182 W184 I495 R496 L501 M502 D503	L160-L499 HydrophobicContact CD1-CD1 3.89Å; I164-L499 HydrophobicContact CG1-CD1 4.12Å; L167-L499 HydrophobicContact CD1-CB 3.56Å; L167-L499 HydrophobicContact CD1-CD1 4Å; L167-L499 HydrophobicContact CD1-CG 4.44Å; W169-L499 HydrophobicContact CE3-CB 4.37Å; W169-L499 HydrophobicContact CH2-CB 4.22Å; W169-L499 VanDerWaalsContact CH2-O 3.25Å; W169-L499 WeakPolarHBondContact CH2-O 3.5Å; W169-L499 HydrophobicContact CZ3-CB 3.71Å; W169-L499 HydrophobicContact CZ3-CD2 4.19Å; W169-L499 HydrophobicContact CZ3-CG 4.38Å; I182-L499 HydrophobicContact CD1-CD2 3.93Å; I182-L499 HydrophobicContact CG2-CD2 4.34Å; W184-L499 HydrophobicContact CE3-CD2 4.06Å; W184-L499 HydrophobicContact CZ3-CD2 3.87Å; W184-L499 HydrophobicContact CZ3-CG 4.29Å; I495-L499 HydrophobicContact CG2-CD1 4.27Å; I495-L499 WeakPolarHBondContact O-CG 3.29Å; I495-L499 PolarHBondContact O-N 3.14Å; R496-L499 WeakPolarHBondContact O-CB 3.41Å; R496-L499 PolarHBondContact O-N 3.12Å; L499-L501 VanDerWaalsContact C-N 3.28Å; L499-L501 PolarHBondContact O-N 3.35Å; L499-M502 CarbonylContact O-C 3.58Å; L499-M502 VanDerWaalsContact O-C 3.23Å; L499-M502 WeakPolarHBondContact O-CA 3.45Å; L499-M502 PolarHBondContact O-N 3.2Å; L499-D503 PolarHBondContact O-N 2.91Å; L499-D503 VanDerWaalsContact O-N 3.12Å
500	R	96.3	Very high	86.2	Confident	51 Å²	51	41.1 Å²	41.1	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-33	175.5	-68.9	163.4	81.2	-173.4	12.1	113.7	L167 R496 D497 T498 M502 P544 L546	L167-R500 HydrophobicContact CD1-CG 4.32Å; L167-R500 HydrophobicContact CD2-CG 3.5Å; L167-R500 VanDerWaalsContact CD2-CG 3.5Å; R496-R500 WeakPolarHBondContact O-CG 3.46Å; R496-R500 PolarHBondContact O-N 3.45Å; D497-R500 WeakPolarHBondContact OD1-CD 3.38Å; D497-R500 IonicContact OD1-CZ 3.7Å; D497-R500 IonicContact OD1-NE 3.7Å; D497-R500 IonicContact OD1-NH1 3.62Å; D497-R500 PolarHBondContact OD1-NH1 2.88Å; D497-R500 IonicContact OD2-NH1 2.76Å; T498-R500 VanDerWaalsContact C-N 3.32Å; T498-R500 PolarHBondContact O-N 3.32Å; R500-M502 VanDerWaalsContact C-N 3.33Å; R500-P544 PolarHBondContact NH1-O 3.16Å; R500-P544 PolarHBondContact NH2-O 3Å; R500-L546 HydrophobicContact CB-CD2 4.05Å
501	L	96.3	Very high	83	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-78.9	-16.4	174.8	-72.1	170.1	0	0	0	113.2	L321 K323 Y331 D497 T498 L499 L509 L546 L548	L321-L501 HydrophobicContact CD2-CD1 3.92Å; K323-L501 HydrophobicContact CD-CB 4.46Å; K323-L501 WeakPolarHBondContact CE-O 3.37Å; Y331-L501 HydrophobicContact CD1-CD1 3.57Å; Y331-L501 HydrophobicContact CD1-CD2 4.42Å; Y331-L501 HydrophobicContact CE1-CD1 3.66Å; Y331-L501 HydrophobicContact CE1-CD2 3.67Å; Y331-L501 HydrophobicContact CE1-CG 4.33Å; Y331-L501 HydrophobicContact CG-CD1 4.12Å; D497-L501 VanDerWaalsContact O-CG 3.31Å; D497-L501 WeakPolarHBondContact O-CG 3.23Å; D497-L501 PolarHBondContact O-N 3.09Å; T498-L501 PolarHBondContact O-N 3.03Å; L499-L501 VanDerWaalsContact C-N 3.28Å; L499-L501 PolarHBondContact O-N 3.35Å; L501-L509 HydrophobicContact CD2-CD1 4.49Å; L501-L546 HydrophobicContact CD2-CD1 4.19Å; L501-L548 HydrophobicContact CD1-CB 3.95Å; L501-L548 HydrophobicContact CD1-CD1 3.85Å
502	M	96	Very high	80	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.049	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	24.3	176.4	-53.2	-49.6	-60.1	0	0	112.4	I182 Q199 K323 F440 T498 L499 R500 P504	I182-M502 HydrophobicContact CD1-CB 4.29Å; Q199-M502 PolarHBondContact OE1-O 3.3Å; Q199-M502 VanDerWaalsContact OE1-O 3.08Å; K323-M502 HydrophobicContact CD-SD 4.06Å; K323-M502 HydrophobicContact CG-SD 3.85Å; F440-M502 HydrophobicContact CB-CE 3.95Å; F440-M502 HydrophobicContact CB-SD 4.01Å; F440-M502 HydrophobicContact CD1-CE 3.73Å; F440-M502 HydrophobicContact CD1-CG 4.09Å; F440-M502 HydrophobicContact CD1-SD 4.34Å; F440-M502 HydrophobicContact CD2-CG 3.99Å; F440-M502 HydrophobicContact CD2-SD 4.49Å; F440-M502 HydrophobicContact CE1-CE 4.46Å; F440-M502 HydrophobicContact CE1-CG 4.23Å; F440-M502 HydrophobicContact CE2-CG 4.14Å; F440-M502 HydrophobicContact CG-CE 3.96Å; F440-M502 HydrophobicContact CG-CG 3.96Å; F440-M502 HydrophobicContact CG-SD 4.05Å; F440-M502 HydrophobicContact CZ-CG 4.25Å; T498-M502 HydrophobicContact CG2-CG 4.43Å; T498-M502 WeakPolarHBondContact O-CG 3.39Å; T498-M502 PolarHBondContact O-N 2.69Å; T498-M502 VanDerWaalsContact O-N 3.07Å; L499-M502 CarbonylContact O-C 3.58Å; L499-M502 VanDerWaalsContact O-C 3.23Å; L499-M502 WeakPolarHBondContact O-CA 3.45Å; L499-M502 PolarHBondContact O-N 3.2Å; R500-M502 VanDerWaalsContact C-N 3.33Å; M502-P504 VanDerWaalsContact O-CD 3.3Å; M502-P504 WeakPolarHBondContact O-CD 3.4Å
503	D	94.9	Very high	77	Confident	40 Å²	40	54.9 Å²	54.9	21%	0.214	30%	0.299	C	S	.	.			trans	-72.6	113.6	173.1	176.9	-3.9	0	0	0	110.1	W169 L499 F505 N506	W169-D503 HydrophobicContact CH2-CB 3.9Å; W169-D503 HydrophobicContact CZ2-CB 3.85Å; L499-D503 PolarHBondContact O-N 2.91Å; L499-D503 VanDerWaalsContact O-N 3.12Å; D503-F505 PolarHBondContact O-N 2.8Å; D503-F505 VanDerWaalsContact O-N 3.09Å; D503-F505 WeakPolarHBondContact OD1-CA 3.32Å; D503-F505 WeakPolarHBondContact OD1-CB 3.3Å; D503-F505 PolarHBondContact OD1-N 3.29Å; D503-N506 HydrophobicContact CB-CB 3.75Å; D503-N506 PolarHBondContact O-N 3.31Å; D503-N506 VanDerWaalsContact O-N 3.09Å
504	P	90.4	Very high	73.8	Confident	50 Å²	50	63.3 Å²	63.3	33%	0.325	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-178.1	30.5	-39	0	0	0	113.6	V146 D181 M502	V146-P504 HydrophobicContact CG1-CG 4.3Å; V146-P504 HydrophobicContact CG2-CG 4.2Å; D181-P504 HydrophobicContact CB-CG 4.21Å; M502-P504 VanDerWaalsContact O-CD 3.3Å; M502-P504 WeakPolarHBondContact O-CD 3.4Å
505	F	88.1	Confident	70.8	Confident	62 Å²	62	69.1 Å²	69.1	27%	0.272	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.4	178.5	-49.8	-57.5	0	0	0	113.4	R143 R144 V146 D503 K507	R143-F505 PolarHBondContact NH1-O 2.94Å; R143-F505 VanDerWaalsContact NH1-O 3.12Å; R144-F505 HydrophobicContact CG-CE2 4.29Å; R144-F505 HydrophobicContact CG-CZ 3.83Å; R144-F505 WeakPolarHBondContact O-CE2 3.46Å; V146-F505 HydrophobicContact CG2-CD2 3.7Å; V146-F505 HydrophobicContact CG2-CE2 3.67Å; D503-F505 PolarHBondContact O-N 2.8Å; D503-F505 VanDerWaalsContact O-N 3.09Å; D503-F505 WeakPolarHBondContact OD1-CA 3.32Å; D503-F505 WeakPolarHBondContact OD1-CB 3.3Å; D503-F505 PolarHBondContact OD1-N 3.29Å; F505-K507 PolarHBondContact O-N 3.38Å
506	N	80.4	Confident	67.5	Low	60 Å²	60	74.1 Å²	74.1	32%	0.321	42%	0.415	S	S	.	.			trans	-95.6	64.1	-177	-164.7	-1.6	0	0	0	113	D503 K508	D503-N506 HydrophobicContact CB-CB 3.75Å; D503-N506 PolarHBondContact O-N 3.31Å; D503-N506 VanDerWaalsContact O-N 3.09Å; N506-K508 PolarHBondContact O-N 2.9Å
507	K	55.2	Low	64.3	Low	175 Å²	175	76.8 Å²	76.8	76%	0.761	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	1.4	-176.4	-61.4	-169.2	176.3	-173.3	0	115.9	F505	F505-K507 PolarHBondContact O-N 3.38Å
508	K	47.8	Very low	61	Low	162 Å²	162	81 Å²	81	70%	0.704	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.2	178.9	-85.2	-168.5	174.4	-174.8	0	114.3	N506	N506-K508 PolarHBondContact O-N 2.9Å
509	L	49.5	Very low	57.6	Low	90 Å²	90	84.2 Å²	84.2	47%	0.471	53%	0.527	S	S	.	.	S	Bend	trans	-99.5	1.5	-175.7	-74.9	170.4	0	0	0	114.9	L501	L501-L509 HydrophobicContact CD2-CD1 4.49Å
510	T	37.8	Very low	54.3	Low	92 Å²	92	90.4 Å²	90.4	56%	0.564	57%	0.57	S	S	*	*	S	Bend	trans	-117.7	7.5	-167.4	46.6	0	0	0	0	115.4
511	A	29.5	Very low	51.2	Low	91 Å²	91	95.7 Å²	95.7	75%	0.752	60%	0.602	S	S	*	*			trans	-104.1	94.4	-179.4	0	0	0	0	0	112.3
512	T	34.2	Very low	48.5	Very low	98 Å²	98	100.3 Å²	100.3	60%	0.601	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-81.2	132.7	160.1	44.7	0	0	0	0	110
513	P	34.9	Very low	45.2	Very low	122 Å²	122	106 Å²	106	79%	0.792	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-69.1	137.1	177.7	28.7	-34.2	0	0	0	111.4
514	H	29.5	Very low	42.4	Very low	185 Å²	185	113.5 Å²	113.5	86%	0.856	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-77.8	129.1	167	-73.4	-84.3	0	0	0	109.8	A516	H514-A516 PolarHBondContact O-N 2.9Å
515	P	35.5	Very low	39.5	Very low	125 Å²	125	116.9 Å²	116.9	81%	0.812	72%	0.722	S	S	*	*			trans	-74.8	115.3	168.5	29.6	-31.4	0	0	0	109.9
516	A	30.8	Very low	37	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	75%	0.748	S	S	*	*			trans	-69.6	143.2	155.5	0	0	0	0	0	108.5	H514	H514-A516 PolarHBondContact O-N 2.9Å
517	G	29	Very low	34.6	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	77%	0.769	S	S	*	*			trans	-104.4	155.5	-167.8	0	0	0	0	0	115.2
518	G	28.9	Very low	33.3	Very low	88 Å²	88	120.4 Å²	120.4	91%	0.907	77%	0.769	S	S	*	*			trans	113.7	116.6	157	0	0	0	0	0	116
519	G	26.7	Very low	32.5	Very low	68 Å²	68	121 Å²	121	70%	0.701	78%	0.78	S	S	*	*			trans	132.7	109.6	154.6	0	0	0	0	0	117.3
520	S	28	Very low	31.4	Very low	130 Å²	130	119.8 Å²	119.8	91%	0.909	79%	0.789	S	S	*	*			trans	66	159.4	158.7	45.9	0	0	0	0	120.1
521	D	31.1	Very low	31.2	Very low	161 Å²	161	121.7 Å²	121.7	86%	0.861	80%	0.796	S	S	*	*			trans	-103.2	176.9	-161.4	-100.8	-45.6	0	0	0	113.3
522	P	40.1	Very low	31.3	Very low	113 Å²	113	122.6 Å²	122.6	73%	0.734	80%	0.797	S	S	*	*			trans	-93.3	160	-142.3	36	-39	0	0	0	116.7
523	V	28.1	Very low	31.4	Very low	129 Å²	129	125.9 Å²	125.9	78%	0.782	81%	0.805	S	S	*	*			trans	-127	133.5	154.7	178.6	0	0	0	0	107.8	V525	V523-V525 HydrophobicContact CG1-CG2 4.41Å; V523-V525 PolarHBondContact O-N 2.83Å
524	E	36	Very low	31.1	Very low	197 Å²	197	123.1 Å²	123.1	92%	0.921	80%	0.799	S	S	*	*			trans	-71.2	118.2	173.9	-67.7	-172.7	113.3	0	0	110.9
525	V	28	Very low	31.2	Very low	122 Å²	122	125.8 Å²	125.8	74%	0.739	80%	0.802	S	S	*	*			trans	-136.2	120.9	163.7	-175.9	0	0	0	0	108.5	V523 P527	V523-V525 HydrophobicContact CG1-CG2 4.41Å; V523-V525 PolarHBondContact O-N 2.83Å; V525-P527 VanDerWaalsContact O-CD 3.31Å; V525-P527 WeakPolarHBondContact O-CD 3.45Å
526	I	37	Very low	31.1	Very low	159 Å²	159	124 Å²	124	82%	0.815	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.8	176.1	-59.1	169.9	0	0	0	108.7
527	P	28.9	Very low	31.6	Very low	119 Å²	119	124 Å²	124	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84	118.8	167.5	-4.1	24.4	0	0	0	109.2	V525	V525-P527 VanDerWaalsContact O-CD 3.31Å; V525-P527 WeakPolarHBondContact O-CD 3.45Å
528	A	27.5	Very low	32.2	Very low	93 Å²	93	127 Å²	127	77%	0.769	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.2	170	170.5	0	0	0	0	0	111.8	G530	A528-G530 PolarHBondContact O-N 2.7Å
529	D	32.2	Very low	32.8	Very low	174 Å²	174	129.3 Å²	129.3	93%	0.93	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.9	117.1	-175.6	-72.2	-72.8	0	0	0	113.7
530	G	26.6	Very low	33.7	Very low	64 Å²	64	129.1 Å²	129.1	66%	0.66	76%	0.764	S	S	*	*			trans	-99.4	91.8	173.1	0	0	0	0	0	111.9	A528 S532	A528-G530 PolarHBondContact O-N 2.7Å; G530-S532 PolarHBondContact O-N 2.86Å; G530-S532 PolarHBondContact O-OG 2.81Å
531	D	33.5	Very low	34.7	Very low	132 Å²	132	126.4 Å²	126.4	71%	0.706	76%	0.756	S	S	*	*			trans	-62.2	123.5	-178.7	-174.4	30	0	0	0	111.9	Q533	D531-Q533 PolarHBondContact O-N 3.48Å; D531-Q533 WeakPolarHBondContact OD2-CG 3.43Å; D531-Q533 PolarHBondContact OD2-NE2 3.45Å; D531-Q533 VanDerWaalsContact OD2-NE2 3.14Å
532	S	30.3	Very low	36.6	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	76%	0.758	S	S	*	*			trans	-103.1	67.2	-165.8	-67.8	0	0	0	0	111.7	G530 G534	G530-S532 PolarHBondContact O-N 2.86Å; G530-S532 PolarHBondContact O-OG 2.81Å; S532-G534 VanDerWaalsContact C-N 3.26Å; S532-G534 PolarHBondContact O-N 3.47Å
533	Q	36.3	Very low	38.7	Very low	167 Å²	167	123.5 Å²	123.5	78%	0.78	73%	0.734	S	S	*	*			trans	-70.3	72.9	179.5	-65.1	-164.1	14.2	0	0	113.7	D531 R535	D531-Q533 PolarHBondContact O-N 3.48Å; D531-Q533 WeakPolarHBondContact OD2-CG 3.43Å; D531-Q533 PolarHBondContact OD2-NE2 3.45Å; D531-Q533 VanDerWaalsContact OD2-NE2 3.14Å; Q533-R535 PolarHBondContact O-N 2.94Å; Q533-R535 VanDerWaalsContact O-N 3.11Å
534	G	28.6	Very low	41.6	Very low	65 Å²	65	120 Å²	120	67%	0.67	71%	0.714	S	S	*	*			trans	-79	84.4	174.2	0	0	0	0	0	113	S532 S536	S532-G534 VanDerWaalsContact C-N 3.26Å; S532-G534 PolarHBondContact O-N 3.47Å; G534-S536 PolarHBondContact O-N 3.08Å
535	R	31.4	Very low	44.2	Very low	240 Å²	240	115.4 Å²	115.4	91%	0.906	70%	0.702	S	S	*	*			trans	-48	137.7	168.9	-86.4	-177.2	171.2	177.1	-2.7	111.3	Q533	Q533-R535 PolarHBondContact O-N 2.94Å; Q533-R535 VanDerWaalsContact O-N 3.11Å
536	S	33.9	Very low	47.4	Very low	88 Å²	88	111.4 Å²	111.4	62%	0.615	68%	0.676	S	S	*	*			trans	-129.3	134	167.4	-172.7	0	0	0	0	108.5	G534	G534-S536 PolarHBondContact O-N 3.08Å
537	P	42.6	Very low	50.2	Low	105 Å²	105	104.9 Å²	104.9	68%	0.682	64%	0.644	S	S	*	*			trans	-72.4	136	177.2	29.4	-33.4	0	0	0	111.7
538	D	41.4	Very low	53.5	Low	143 Å²	143	99.3 Å²	99.3	77%	0.765	61%	0.608	S	S	*	*	S	Bend	trans	65.3	141.5	154.7	-47.1	-29.8	0	0	0	120.5	A540	D538-A540 PolarHBondContact O-N 3.08Å
539	N	40	Very low	56.8	Low	136 Å²	136	98.9 Å²	98.9	73%	0.727	59%	0.589	S	S	*	*	S	Bend	trans	57	-2.7	-179.7	-78.4	30.5	0	0	0	119.6	Q168 G541	Q168-N539 PolarHBondContact OE1-ND2 2.85Å; N539-G541 VanDerWaalsContact C-N 3.32Å; N539-G541 PolarHBondContact O-N 3.27Å
540	A	46.1	Very low	59.9	Low	65 Å²	65	93.9 Å²	93.9	54%	0.537	56%	0.56	S	S	.	*			trans	-78.4	-6.5	176.6	0	0	0	0	0	115.6	D538 N542	D538-A540 PolarHBondContact O-N 3.08Å; A540-N542 PolarHBondContact O-N 3.09Å
541	G	48.8	Very low	63.3	Low	72 Å²	72	91.1 Å²	91.1	74%	0.742	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.1	-160.6	0	0	0	0	0	117.9	N539	N539-G541 VanDerWaalsContact C-N 3.32Å; N539-G541 PolarHBondContact O-N 3.27Å
542	N	71.3	Confident	66.3	Low	166 Å²	166	85 Å²	85	89%	0.888	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	2.4	-171.5	-68.5	15.2	0	0	0	114.2	A540	A540-N542 PolarHBondContact O-N 3.09Å
543	L	84.3	Confident	69.4	Low	47 Å²	47	82 Å²	82	25%	0.246	48%	0.475	C	S	.	.	S	Bend	trans	-96.7	132.8	-176.1	-65.9	176.5	0	0	0	111.9	E166 L167	E166-L543 HydrophobicContact CB-CD2 4.24Å; L167-L543 HydrophobicContact CD2-CD1 3.75Å
544	P	88.6	Confident	72.2	Confident	55 Å²	55	80.5 Å²	80.5	36%	0.357	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-66.2	162.4	-175.7	28.1	-36.7	0	0	0	112.9	R500	R500-P544 PolarHBondContact NH1-O 3.16Å; R500-P544 PolarHBondContact NH2-O 3Å
545	P	91.8	Very high	75.3	Confident	101 Å²	101	80.5 Å²	80.5	66%	0.656	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63	137	176.7	-20.9	32.8	0	0	0	112.2	C547	P545-C547 PolarHBondContact O-N 2.82Å
546	L	94.1	Very high	78.2	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.199	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-46.3	122.5	-175.4	-66.3	171.6	0	0	0	113	D497 R500 L501 K549	D497-L546 HydrophobicContact CB-CD2 3.73Å; D497-L546 WeakPolarHBondContact OD2-CA 3.45Å; R500-L546 HydrophobicContact CB-CD2 4.05Å; L501-L546 HydrophobicContact CD2-CD1 4.19Å; L546-K549 WeakPolarHBondContact O-CE 3.49Å; L546-K549 PolarHBondContact O-NZ 2.88Å
547	C	95.9	Very high	81.1	Confident	22 Å²	22	76.7 Å²	76.7	15%	0.149	43%	0.429	C	S	.	.	S	Bend	trans	-72.9	-32	174.1	77.6	0	0	0	0	111.6	K334 D497 P545	K334-C547 WeakPolarHBondContact CG-O 3.21Å; K334-C547 PolarHBondContact N-O 2.91Å; D497-C547 PolarHBondContact OD2-N 3.2Å; D497-C547 PolarHBondContact OD2-SG 2.8Å; P545-C547 PolarHBondContact O-N 2.82Å
548	L	97.6	Very high	83.6	Confident	3 Å²	3	77 Å²	77	2%	0.016	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.3	171.9	-68.6	171.9	0	0	0	110.4	L321 Y331 A333 D497 T498 L501	L321-L548 HydrophobicContact CB-CD1 4.33Å; L321-L548 HydrophobicContact CB-CD2 4.34Å; L321-L548 HydrophobicContact CD2-CD1 3.84Å; Y331-L548 HydrophobicContact CD1-CB 4.43Å; A333-L548 HydrophobicContact CB-CD2 4Å; D497-L548 HydrophobicContact CB-CD1 4.26Å; D497-L548 HydrophobicContact CB-CG 4.43Å; T498-L548 WeakPolarHBondContact OG1-CD1 3.33Å; L501-L548 HydrophobicContact CD1-CB 3.95Å; L501-L548 HydrophobicContact CD1-CD1 3.85Å
549	K	97.6	Very high	86.2	Confident	84 Å²	84	71 Å²	71	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.6	176.9	-64.9	-59.5	176.4	-153.8	0	111.1	Y331 I332 K334 L546 V551	Y331-K549 CarbonylContact C-O 3.6Å; Y331-K549 VanDerWaalsContact CA-O 3.28Å; Y331-K549 WeakPolarHBondContact CA-O 3.36Å; I332-K549 PolarHBondContact N-O 3.17Å; I332-K549 PolarHBondContact O-N 2.76Å; K334-K549 HydrophobicContact CG-CG 4.39Å; L546-K549 WeakPolarHBondContact O-CE 3.49Å; L546-K549 PolarHBondContact O-NZ 2.88Å; K549-V551 PolarHBondContact O-N 3.1Å
550	Q	97.7	Very high	88.7	Confident	68 Å²	68	67.3 Å²	67.3	32%	0.318	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.2	179.5	-160	-179.2	47.8	0	0	110	E329 Y331 Y552	E329-Q550 PolarHBondContact OE1-NE2 3.39Å; Y331-Q550 HydrophobicContact CD1-CB 3.82Å; Y331-Q550 HydrophobicContact CD1-CG 4.36Å; Y331-Q550 HydrophobicContact CD2-CG 4.26Å; Y331-Q550 HydrophobicContact CE1-CB 3.58Å; Y331-Q550 HydrophobicContact CE1-CG 3.99Å; Y331-Q550 HydrophobicContact CE2-CB 4.34Å; Y331-Q550 HydrophobicContact CE2-CG 3.85Å; Y331-Q550 HydrophobicContact CG-CB 4.31Å; Y331-Q550 HydrophobicContact CG-CG 4.48Å; Y331-Q550 PolarHBondContact OH-NE2 2.9Å; Y331-Q550 VanDerWaalsContact OH-NE2 3.15Å; Q550-Y552 VanDerWaalsContact CG-O 3.27Å; Q550-Y552 WeakPolarHBondContact CG-O 3.46Å
551	V	97.6	Very high	91	Very high	7 Å²	7	67.5 Å²	67.5	4%	0.042	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-24.6	175.8	-58.4	0	0	0	0	111.7	I330 I332 I408 I412 K549 K554 Y555	I330-V551 HydrophobicContact CB-CG2 3.97Å; I330-V551 HydrophobicContact CG2-CG2 3.73Å; I330-V551 PolarHBondContact O-N 3.12Å; I332-V551 HydrophobicContact CB-CG1 4.32Å; I332-V551 HydrophobicContact CD1-CG1 4.03Å; I332-V551 HydrophobicContact CD1-CG2 3.84Å; I332-V551 HydrophobicContact CG1-CG1 4.1Å; I332-V551 HydrophobicContact CG1-CG2 3.85Å; I408-V551 HydrophobicContact CG1-CG1 4.36Å; I408-V551 HydrophobicContact CG2-CB 3.98Å; I408-V551 HydrophobicContact CG2-CG1 3.98Å; I408-V551 HydrophobicContact CG2-CG2 4.49Å; I412-V551 HydrophobicContact CD1-CB 4.06Å; I412-V551 HydrophobicContact CD1-CG2 3.93Å; I412-V551 HydrophobicContact CG1-CG2 3.83Å; K549-V551 PolarHBondContact O-N 3.1Å; V551-K554 PolarHBondContact O-N 2.97Å; V551-Y555 HydrophobicContact CB-CD2 4.01Å; V551-Y555 HydrophobicContact CB-CE2 4.22Å; V551-Y555 HydrophobicContact CG1-CE2 4.37Å; V551-Y555 WeakPolarHBondContact O-CD2 3.46Å; V551-Y555 PolarHBondContact O-N 3.24Å
552	Y	96.7	Very high	93.3	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.1	169	-151.2	-79	0	0	0	108.5	L328 E329 I330 I412 I416 Q550 T556 F559 R563	L328-Y552 HydrophobicContact CB-CD1 3.93Å; L328-Y552 HydrophobicContact CB-CE1 3.96Å; L328-Y552 HydrophobicContact CD2-CD1 3.79Å; L328-Y552 HydrophobicContact CD2-CD2 4.38Å; L328-Y552 HydrophobicContact CD2-CE1 3.81Å; L328-Y552 HydrophobicContact CD2-CE2 4.39Å; L328-Y552 HydrophobicContact CD2-CG 4.09Å; L328-Y552 HydrophobicContact CG-CD1 3.81Å; L328-Y552 HydrophobicContact CG-CE1 4.14Å; L328-Y552 HydrophobicContact CG-CG 4.32Å; L328-Y552 WeakPolarHBondContact O-CD1 3.4Å; E329-Y552 WeakPolarHBondContact CA-O 3.49Å; I330-Y552 HydrophobicContact CD1-CG 4.35Å; I330-Y552 PolarHBondContact N-O 3.11Å; I330-Y552 PolarHBondContact O-N 2.93Å; I412-Y552 HydrophobicContact CG2-CD2 3.88Å; I412-Y552 HydrophobicContact CG2-CE2 4.31Å; I416-Y552 HydrophobicContact CD1-CE2 4.46Å; Q550-Y552 VanDerWaalsContact CG-O 3.27Å; Q550-Y552 WeakPolarHBondContact CG-O 3.46Å; Y552-T556 WeakPolarHBondContact CE1-OG1 3.42Å; Y552-T556 PolarHBondContact OH-OG1 3.4Å; Y552-F559 HydrophobicContact CE2-CB 4.34Å; Y552-R563 WeakPolarHBondContact OH-CD 3.34Å; Y552-R563 PolarHBondContact OH-NH1 2.94Å
553	P	95.1	Very high	94.5	Very high	47 Å²	47	59 Å²	59	31%	0.305	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.9	8.4	13.8	34.5	-37.2	0	0	0	117	Y555 T556	P553-Y555 VanDerWaalsContact C-N 3.28Å; P553-Y555 PolarHBondContact O-N 3.4Å; P553-Y555 VanDerWaalsContact O-N 3.15Å; P553-T556 WeakPolarHBondContact CA-OG1 3.39Å; P553-T556 VanDerWaalsContact CB-OG1 3.23Å; P553-T556 WeakPolarHBondContact CB-OG1 3.28Å; P553-T556 VanDerWaalsContact O-CB 3.24Å; P553-T556 WeakPolarHBondContact O-CB 3.49Å; P553-T556 PolarHBondContact O-N 2.79Å; P553-T556 PolarHBondContact O-OG1 2.7Å
554	K	94.6	Very high	95.1	Very high	136 Å²	136	57.4 Å²	57.4	59%	0.591	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-45.3	-178.8	-172.3	-168.6	174.6	-161.9	0	113.6	V551	V551-K554 PolarHBondContact O-N 2.97Å
555	Y	93.8	Very high	95.5	Very high	64 Å²	64	55 Å²	55	25%	0.251	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	19.7	178.8	-60.8	-71.5	0	0	0	113.8	I408 I412 V551 P553 K557 Q558 F559	I408-Y555 HydrophobicContact CG2-CD2 4.08Å; I408-Y555 HydrophobicContact CG2-CE2 4.06Å; I412-Y555 HydrophobicContact CD1-CD2 4.2Å; V551-Y555 HydrophobicContact CB-CD2 4.01Å; V551-Y555 HydrophobicContact CB-CE2 4.22Å; V551-Y555 HydrophobicContact CG1-CE2 4.37Å; V551-Y555 WeakPolarHBondContact O-CD2 3.46Å; V551-Y555 PolarHBondContact O-N 3.24Å; P553-Y555 VanDerWaalsContact C-N 3.28Å; P553-Y555 PolarHBondContact O-N 3.4Å; P553-Y555 VanDerWaalsContact O-N 3.15Å; Y555-K557 VanDerWaalsContact C-N 3.27Å; Y555-K557 PolarHBondContact O-N 2.78Å; Y555-K557 VanDerWaalsContact O-N 3.16Å; Y555-Q558 PolarHBondContact O-N 3.26Å; Y555-F559 WeakPolarHBondContact O-CD2 3.5Å; Y555-F559 PolarHBondContact O-N 2.94Å
556	T	93	Very high	95.7	Very high	44 Å²	44	51.4 Å²	51.4	27%	0.27	25%	0.247	S	C	.	.	H	α-helix	trans	-54.1	-37.7	-177.2	-73.6	0	0	0	0	113.6	Y552 P553 Q558 F559 S560	Y552-T556 WeakPolarHBondContact CE1-OG1 3.42Å; Y552-T556 PolarHBondContact OH-OG1 3.4Å; P553-T556 WeakPolarHBondContact CA-OG1 3.39Å; P553-T556 VanDerWaalsContact CB-OG1 3.23Å; P553-T556 WeakPolarHBondContact CB-OG1 3.28Å; P553-T556 VanDerWaalsContact O-CB 3.24Å; P553-T556 WeakPolarHBondContact O-CB 3.49Å; P553-T556 PolarHBondContact O-N 2.79Å; P553-T556 PolarHBondContact O-OG1 2.7Å; T556-Q558 PolarHBondContact O-N 3.32Å; T556-F559 PolarHBondContact O-N 3.36Å; T556-S560 WeakPolarHBondContact O-CB 3.3Å; T556-S560 PolarHBondContact O-N 2.9Å; T556-S560 PolarHBondContact O-OG 2.73Å
557	K	93.6	Very high	95.8	Very high	204 Å²	204	52.8 Å²	52.8	89%	0.887	25%	0.249	S	C	*	.	H	α-helix	trans	-60.6	-29.9	178.4	-71	-169.5	178	-174.4	0	113.4	Y555	Y555-K557 VanDerWaalsContact C-N 3.27Å; Y555-K557 PolarHBondContact O-N 2.78Å; Y555-K557 VanDerWaalsContact O-N 3.16Å
558	Q	95.3	Very high	95.9	Very high	111 Å²	111	51.8 Å²	51.8	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-80	-45.4	179.7	-66.6	171.1	-20.5	0	0	111	Y555 T556 H561	Y555-Q558 PolarHBondContact O-N 3.26Å; T556-Q558 PolarHBondContact O-N 3.32Å; Q558-H561 PolarHBondContact O-CE1 3.19Å; Q558-H561 PolarHBondContact O-ND1 3.02Å
559	F	96.3	Very high	95.9	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-102.5	3.1	-169.9	-55.4	-71.4	0	0	0	115.2	A409 I412 K413 I416 Y552 Y555 T556 H561 L562	A409-F559 HydrophobicContact CB-CE1 4.12Å; A409-F559 HydrophobicContact CB-CZ 3.82Å; I412-F559 HydrophobicContact CB-CD2 4.29Å; I412-F559 HydrophobicContact CB-CE2 4.43Å; I412-F559 HydrophobicContact CD1-CD2 3.8Å; I412-F559 HydrophobicContact CD1-CE2 3.6Å; I412-F559 HydrophobicContact CD1-CZ 4.45Å; I412-F559 HydrophobicContact CG2-CB 3.91Å; I412-F559 HydrophobicContact CG2-CD1 4.31Å; I412-F559 HydrophobicContact CG2-CD2 3.68Å; I412-F559 HydrophobicContact CG2-CE2 4.3Å; I412-F559 HydrophobicContact CG2-CG 3.69Å; K413-F559 HydrophobicContact CG-CD1 4.21Å; K413-F559 HydrophobicContact CG-CE1 4.2Å; I416-F559 HydrophobicContact CD1-CB 3.82Å; Y552-F559 HydrophobicContact CE2-CB 4.34Å; Y555-F559 WeakPolarHBondContact O-CD2 3.5Å; Y555-F559 PolarHBondContact O-N 2.94Å; T556-F559 PolarHBondContact O-N 3.36Å; F559-H561 VanDerWaalsContact C-N 3.3Å; F559-H561 PolarHBondContact O-N 2.95Å; F559-L562 HydrophobicContact CB-CD1 4.49Å; F559-L562 HydrophobicContact CD1-CD1 4.01Å; F559-L562 PolarHBondContact O-N 3.38Å
560	S	93.2	Very high	95.7	Very high	59 Å²	59	49.1 Å²	49.1	41%	0.413	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-58.8	-40.1	178.6	52.6	0	0	0	0	112.7	T556 L562 R563	T556-S560 WeakPolarHBondContact O-CB 3.3Å; T556-S560 PolarHBondContact O-N 2.9Å; T556-S560 PolarHBondContact O-OG 2.73Å; S560-L562 PolarHBondContact O-N 2.86Å; S560-R563 WeakPolarHBondContact O-CB 3.46Å; S560-R563 PolarHBondContact O-N 3.1Å; S560-R563 VanDerWaalsContact O-N 3.12Å
561	H	94.8	Very high	95.6	Very high	70 Å²	70	46 Å²	46	32%	0.324	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-64.9	-18.8	-175.9	75.2	-94.4	0	0	0	113.9	F226 Q558 F559 R563	F226-H561 AromaticContact CE1-CD2 3.93Å; F226-H561 WeakPolarHBondContact CZ-O 3.26Å; Q558-H561 PolarHBondContact O-CE1 3.19Å; Q558-H561 PolarHBondContact O-ND1 3.02Å; F559-H561 VanDerWaalsContact C-N 3.3Å; F559-H561 PolarHBondContact O-N 2.95Å; H561-R563 VanDerWaalsContact C-N 3.34Å
562	L	97.1	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-78.5	-15.1	177.3	-60.4	179.4	0	0	0	113.1	M222 F226 E229 Y230 K413 I416 F559 S560 L564	M222-L562 HydrophobicContact CE-CB 4.18Å; M222-L562 VanDerWaalsContact CE-O 3.3Å; M222-L562 WeakPolarHBondContact CE-O 3.44Å; F226-L562 HydrophobicContact CB-CD2 4.1Å; F226-L562 HydrophobicContact CD1-CD2 3.58Å; F226-L562 HydrophobicContact CD2-CD2 3.87Å; F226-L562 HydrophobicContact CE1-CD2 3.83Å; F226-L562 HydrophobicContact CE2-CD2 4.12Å; F226-L562 HydrophobicContact CG-CD2 3.6Å; F226-L562 HydrophobicContact CZ-CD2 4.09Å; E229-L562 HydrophobicContact CB-CD2 4.21Å; E229-L562 HydrophobicContact CG-CD2 4.12Å; Y230-L562 HydrophobicContact CE2-CD1 4.05Å; Y230-L562 HydrophobicContact CE2-CD2 4.12Å; K413-L562 HydrophobicContact CG-CD1 3.85Å; I416-L562 HydrophobicContact CD1-CB 4.5Å; I416-L562 HydrophobicContact CG2-CB 4.02Å; F559-L562 HydrophobicContact CB-CD1 4.49Å; F559-L562 HydrophobicContact CD1-CD1 4.01Å; F559-L562 PolarHBondContact O-N 3.38Å; S560-L562 PolarHBondContact O-N 2.86Å; L562-L564 PolarHBondContact O-N 2.87Å
563	R	96	Very high	95.4	Very high	58 Å²	58	47 Å²	47	22%	0.219	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	26.8	-169.5	-59.5	178.9	67.3	-177	-5.1	114	I416 Y552 S560 H561 E566 R567	I416-R563 HydrophobicContact CD1-CG 4.25Å; I416-R563 HydrophobicContact CG1-CG 4.42Å; I416-R563 HydrophobicContact CG2-CG 4.14Å; Y552-R563 WeakPolarHBondContact OH-CD 3.34Å; Y552-R563 PolarHBondContact OH-NH1 2.94Å; S560-R563 WeakPolarHBondContact O-CB 3.46Å; S560-R563 PolarHBondContact O-N 3.1Å; S560-R563 VanDerWaalsContact O-N 3.12Å; H561-R563 VanDerWaalsContact C-N 3.34Å; R563-E566 HydrophobicContact CB-CB 4.48Å; R563-E566 IonicContact CZ-OE1 3.85Å; R563-E566 IonicContact CZ-OE2 2.81Å; R563-E566 IonicContact NE-OE2 2.63Å; R563-E566 PolarHBondContact NE-OE2 3.29Å; R563-E566 IonicContact NH2-OE1 3.17Å; R563-E566 PolarHBondContact NH2-OE1 3.37Å; R563-E566 IonicContact NH2-OE2 2.72Å; R563-E566 PolarHBondContact NH2-OE2 3.32Å; R563-E566 PolarHBondContact O-N 3.33Å; R563-R567 PolarHBondContact O-N 2.89Å
564	L	96.6	Very high	95.2	Very high	14 Å²	14	50 Å²	50	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-44	179.2	-63.7	-176.7	0	0	0	112.5	F226 L562 E566 R567 I568 R654 V658 L661	F226-L564 HydrophobicContact CE1-CD1 4.44Å; F226-L564 HydrophobicContact CE2-CD1 4.44Å; F226-L564 HydrophobicContact CZ-CD1 3.67Å; F226-L564 HydrophobicContact CZ-CG 3.98Å; L562-L564 PolarHBondContact O-N 2.87Å; L564-E566 PolarHBondContact O-N 2.82Å; L564-R567 WeakPolarHBondContact O-CB 3.42Å; L564-R567 PolarHBondContact O-N 3.23Å; L564-I568 PolarHBondContact O-N 3.24Å; L564-I568 VanDerWaalsContact O-N 3.09Å; L564-R654 HydrophobicContact CD1-CG 4.26Å; L564-V658 HydrophobicContact CD1-CG2 3.63Å; L564-V658 HydrophobicContact CD2-CG2 3.87Å; L564-V658 HydrophobicContact CG-CG2 4.44Å; L564-L661 HydrophobicContact CB-CD1 4.2Å; L564-L661 HydrophobicContact CD2-CD1 4.05Å
565	V	97.8	Very high	95.2	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-28.5	179.4	-170.9	0	0	0	0	111.4	T221 M222 L225 P420 I568 A569 V637	T221-V565 HydrophobicContact CG2-CG2 4.09Å; M222-V565 HydrophobicContact SD-CB 4.33Å; M222-V565 HydrophobicContact SD-CG2 3.58Å; M222-V565 VanDerWaalsContact SD-CG2 3.58Å; L225-V565 HydrophobicContact CD1-CG2 3.63Å; P420-V565 HydrophobicContact CB-CG1 3.97Å; P420-V565 HydrophobicContact CG-CB 3.97Å; P420-V565 HydrophobicContact CG-CG1 3.79Å; V565-I568 PolarHBondContact O-N 3.5Å; V565-A569 PolarHBondContact O-N 3.25Å; V565-V637 HydrophobicContact CG1-CG1 4.47Å; V565-V637 HydrophobicContact CG1-CG2 3.97Å
566	E	95.9	Very high	94.9	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-35.8	171.8	-167.3	-174.4	168.6	0	0	112.4	L419 K423 R563 L564 A569 A570	L419-E566 WeakPolarHBondContact CD2-OE2 3.01Å; K423-E566 HydrophobicContact CD-CG 4.42Å; K423-E566 WeakPolarHBondContact CE-OE1 3.37Å; K423-E566 IonicContact NZ-OE1 2.9Å; K423-E566 PolarHBondContact NZ-OE1 2.97Å; R563-E566 HydrophobicContact CB-CB 4.48Å; R563-E566 IonicContact CZ-OE1 3.85Å; R563-E566 IonicContact CZ-OE2 2.81Å; R563-E566 IonicContact NE-OE2 2.63Å; R563-E566 PolarHBondContact NE-OE2 3.29Å; R563-E566 IonicContact NH2-OE1 3.17Å; R563-E566 PolarHBondContact NH2-OE1 3.37Å; R563-E566 IonicContact NH2-OE2 2.72Å; R563-E566 PolarHBondContact NH2-OE2 3.32Å; R563-E566 PolarHBondContact O-N 3.33Å; L564-E566 PolarHBondContact O-N 2.82Å; E566-A569 PolarHBondContact O-N 3.23Å; E566-A570 PolarHBondContact O-N 3.31Å
567	R	96.5	Very high	93.7	Very high	67 Å²	67	44.1 Å²	44.1	25%	0.253	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-42.5	170.4	-62.8	172.3	67.9	-168.8	9.8	110.8	R563 L564 A569 A570 L571 L661 D662 E665	R563-R567 PolarHBondContact O-N 2.89Å; L564-R567 WeakPolarHBondContact O-CB 3.42Å; L564-R567 PolarHBondContact O-N 3.23Å; R567-A569 VanDerWaalsContact C-N 3.33Å; R567-A569 PolarHBondContact O-N 3.03Å; R567-A570 WeakPolarHBondContact O-CB 3.44Å; R567-A570 PolarHBondContact O-N 2.93Å; R567-L571 PolarHBondContact O-N 2.86Å; R567-L571 VanDerWaalsContact O-N 3.09Å; R567-L661 HydrophobicContact CB-CD1 3.92Å; R567-L661 HydrophobicContact CB-CD2 3.67Å; R567-L661 HydrophobicContact CB-CG 4.41Å; R567-D662 IonicContact CZ-OD1 3.18Å; R567-D662 VanDerWaalsContact CZ-OD1 3.31Å; R567-D662 IonicContact NH1-OD1 2.74Å; R567-D662 PolarHBondContact NH1-OD1 3.34Å; R567-D662 IonicContact NH2-OD1 3.16Å; R567-D662 PolarHBondContact NH2-OD1 3.17Å; R567-E665 IonicContact CZ-OE1 2.68Å; R567-E665 IonicContact CZ-OE2 2.8Å; R567-E665 IonicContact NE-OE1 3.6Å; R567-E665 PolarHBondContact NE-OE1 2.95Å; R567-E665 IonicContact NE-OE2 3.97Å; R567-E665 IonicContact NH2-OE1 2.77Å; R567-E665 PolarHBondContact NH2-OE1 2.87Å; R567-E665 VanDerWaalsContact NH2-OE1 3.15Å; R567-E665 IonicContact NH2-OE2 3.55Å; R567-E665 PolarHBondContact NH2-OE2 2.73Å
568	I	97.9	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-41.6	175	-56.5	171.9	0	0	0	110.6	L564 V565 L571 F572 F636 V637 F640 F641 V657 L661	L564-I568 PolarHBondContact O-N 3.24Å; L564-I568 VanDerWaalsContact O-N 3.09Å; V565-I568 PolarHBondContact O-N 3.5Å; I568-L571 WeakPolarHBondContact O-CB 3.38Å; I568-L571 PolarHBondContact O-N 2.84Å; I568-F572 PolarHBondContact O-N 3.45Å; I568-F636 HydrophobicContact CG2-CD1 3.86Å; I568-F636 HydrophobicContact CG2-CE1 3.75Å; I568-V637 HydrophobicContact CD1-CG1 4.3Å; I568-V637 HydrophobicContact CG2-CG2 3.95Å; I568-F640 HydrophobicContact CD1-CD1 3.72Å; I568-F640 HydrophobicContact CD1-CE1 4.16Å; I568-F640 HydrophobicContact CD1-CG 4.21Å; I568-F640 HydrophobicContact CG1-CD1 3.94Å; I568-F640 HydrophobicContact CG1-CE1 4.02Å; I568-F640 HydrophobicContact CG1-CG 4.26Å; I568-F640 HydrophobicContact CG1-CZ 4.41Å; I568-F640 HydrophobicContact CG2-CB 4.1Å; I568-F640 HydrophobicContact CG2-CD1 4.49Å; I568-F640 HydrophobicContact CG2-CD2 4.08Å; I568-F640 HydrophobicContact CG2-CG 3.98Å; I568-F641 HydrophobicContact CD1-CE1 3.95Å; I568-V657 HydrophobicContact CD1-CG1 3.95Å; I568-L661 HydrophobicContact CG1-CD1 4.24Å; I568-L661 HydrophobicContact CG1-CD2 3.78Å; I568-L661 HydrophobicContact CG1-CG 4.23Å
569	A	96.3	Very high	91.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-36.7	175.2	0	0	0	0	0	113	P420 V565 E566 R567 L571 F572 I573 L633	P420-A569 HydrophobicContact CB-CB 3.82Å; V565-A569 PolarHBondContact O-N 3.25Å; E566-A569 PolarHBondContact O-N 3.23Å; R567-A569 VanDerWaalsContact C-N 3.33Å; R567-A569 PolarHBondContact O-N 3.03Å; A569-L571 VanDerWaalsContact C-N 3.3Å; A569-L571 PolarHBondContact O-N 3.16Å; A569-F572 WeakPolarHBondContact O-CB 3.25Å; A569-F572 PolarHBondContact O-N 2.97Å; A569-I573 WeakPolarHBondContact O-CB 3.33Å; A569-I573 VanDerWaalsContact O-CG1 3.25Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.45Å; A569-L633 HydrophobicContact CB-CD1 3.99Å; A569-L633 HydrophobicContact CB-CD2 3.69Å
570	A	94.8	Very high	90.3	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-35.8	173	0	0	0	0	0	112.1	E566 R567 R574	E566-A570 PolarHBondContact O-N 3.31Å; R567-A570 WeakPolarHBondContact O-CB 3.44Å; R567-A570 PolarHBondContact O-N 2.93Å; A570-R574 VanDerWaalsContact O-CB 3.31Å; A570-R574 WeakPolarHBondContact O-CB 3.43Å; A570-R574 PolarHBondContact O-N 2.7Å; A570-R574 VanDerWaalsContact O-N 3.08Å
571	L	95.7	Very high	89.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-48.9	170.3	-62.4	178.9	0	0	0	111.5	R567 I568 A569 I573 R574 F575 F640 L661 C664 L668	R567-L571 PolarHBondContact O-N 2.86Å; R567-L571 VanDerWaalsContact O-N 3.09Å; I568-L571 WeakPolarHBondContact O-CB 3.38Å; I568-L571 PolarHBondContact O-N 2.84Å; A569-L571 VanDerWaalsContact C-N 3.3Å; A569-L571 PolarHBondContact O-N 3.16Å; L571-I573 PolarHBondContact O-N 3.24Å; L571-R574 PolarHBondContact O-N 3.31Å; L571-F575 VanDerWaalsContact O-CD2 3.27Å; L571-F575 WeakPolarHBondContact O-CD2 3.4Å; L571-F575 PolarHBondContact O-N 3.37Å; L571-F575 VanDerWaalsContact O-N 3.12Å; L571-F640 HydrophobicContact CD1-CE2 3.71Å; L571-F640 HydrophobicContact CD1-CZ 4.15Å; L571-L661 HydrophobicContact CD1-CD2 3.79Å; L571-C664 HydrophobicContact CD1-CB 3.79Å; L571-C664 HydrophobicContact CD2-CB 4.37Å; L571-L668 HydrophobicContact CD2-CD1 3.31Å
572	F	96.1	Very high	89.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.7	-51.4	177.2	-180	-105.4	0	0	0	111.8	V424 I568 A569 R574 F575 L576 L584 M631 L633 F636	V424-F572 HydrophobicContact CG1-CD1 4.46Å; V424-F572 HydrophobicContact CG1-CE1 3.9Å; V424-F572 HydrophobicContact CG2-CD1 3.84Å; V424-F572 HydrophobicContact CG2-CE1 4.03Å; I568-F572 PolarHBondContact O-N 3.45Å; A569-F572 WeakPolarHBondContact O-CB 3.25Å; A569-F572 PolarHBondContact O-N 2.97Å; F572-R574 VanDerWaalsContact C-N 3.35Å; F572-R574 PolarHBondContact O-N 2.9Å; F572-F575 CarbonylContact O-C 3.57Å; F572-F575 PolarHBondContact O-N 3.04Å; F572-F575 VanDerWaalsContact O-N 3.09Å; F572-L576 HydrophobicContact CD1-CD1 3.88Å; F572-L576 HydrophobicContact CD1-CG 4.15Å; F572-L576 HydrophobicContact CE1-CD1 3.62Å; F572-L576 HydrophobicContact CE1-CD2 4.02Å; F572-L576 HydrophobicContact CE1-CG 3.93Å; F572-L576 HydrophobicContact CE2-CD2 4.48Å; F572-L576 HydrophobicContact CZ-CD1 4.36Å; F572-L576 HydrophobicContact CZ-CD2 3.91Å; F572-L576 HydrophobicContact CZ-CG 4.25Å; F572-L576 PolarHBondContact O-N 3.03Å; F572-L584 HydrophobicContact CD2-CB 4.14Å; F572-L584 HydrophobicContact CD2-CD2 4.23Å; F572-L584 HydrophobicContact CE2-CB 3.52Å; F572-L584 HydrophobicContact CE2-CD2 4.34Å; F572-L584 HydrophobicContact CE2-CG 4.46Å; F572-L584 HydrophobicContact CZ-CB 4.21Å; F572-M631 WeakPolarHBondContact CE2-O 3.26Å; F572-L633 HydrophobicContact CB-CD1 3.7Å; F572-L633 HydrophobicContact CD1-CB 4.01Å; F572-L633 HydrophobicContact CD1-CD1 3.89Å; F572-L633 HydrophobicContact CD1-CG 4.49Å; F572-L633 HydrophobicContact CD2-CD1 4.31Å; F572-L633 HydrophobicContact CE1-CB 3.87Å; F572-L633 HydrophobicContact CG-CB 4.47Å; F572-L633 HydrophobicContact CG-CD1 3.73Å; F572-L633 HydrophobicContact CZ-CB 4.2Å; F572-F636 HydrophobicContact CB-CD1 3.73Å; F572-F636 HydrophobicContact CB-CE1 3.85Å; F572-F636 HydrophobicContact CB-CG 4.4Å; F572-F636 HydrophobicContact CD2-CB 3.52Å; F572-F636 AromaticContact CD2-CD1 3.69Å; F572-F636 HydrophobicContact CD2-CD1 3.69Å; F572-F636 HydrophobicContact CD2-CD2 4.04Å; F572-F636 HydrophobicContact CD2-CE1 4.38Å; F572-F636 AromaticContact CD2-CG 3.48Å; F572-F636 HydrophobicContact CD2-CG 3.48Å; F572-F636 VanDerWaalsContact CD2-CG 3.48Å; F572-F636 HydrophobicContact CE2-CB 3.75Å; F572-F636 HydrophobicContact CE2-CG 4.18Å; F572-F636 HydrophobicContact CG-CD1 4.13Å; F572-F636 HydrophobicContact CG-CG 4.36Å
573	I	92.6	Very high	89.3	Confident	31 Å²	31	42.5 Å²	42.5	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-45.6	176.8	-73.6	168.8	0	0	0	111.6	K423 V424 Q427 A569 L571 F575 L576	K423-I573 HydrophobicContact CB-CD1 4.28Å; V424-I573 HydrophobicContact CG2-CD1 4.11Å; V424-I573 HydrophobicContact CG2-CG1 4.01Å; Q427-I573 VanDerWaalsContact NE2-CG2 3.35Å; Q427-I573 VanDerWaalsContact OE1-CG2 3.31Å; A569-I573 WeakPolarHBondContact O-CB 3.33Å; A569-I573 VanDerWaalsContact O-CG1 3.25Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.45Å; L571-I573 PolarHBondContact O-N 3.24Å; I573-F575 PolarHBondContact O-N 3.01Å; I573-L576 PolarHBondContact O-N 3.49Å
574	R	92	Very high	89.1	Confident	112 Å²	112	39.8 Å²	39.8	42%	0.423	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-26.5	178.3	-177.3	168.1	175.1	166.8	-8.1	113.2	A570 L571 F572 L668	A570-R574 VanDerWaalsContact O-CB 3.31Å; A570-R574 WeakPolarHBondContact O-CB 3.43Å; A570-R574 PolarHBondContact O-N 2.7Å; A570-R574 VanDerWaalsContact O-N 3.08Å; L571-R574 PolarHBondContact O-N 3.31Å; F572-R574 VanDerWaalsContact C-N 3.35Å; F572-R574 PolarHBondContact O-N 2.9Å; R574-L668 PolarHBondContact NH1-O 3.44Å; R574-L668 PolarHBondContact NH2-O 2.97Å
575	F	93.6	Very high	89	Confident	24 Å²	24	40.1 Å²	40.1	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-101.2	-13.8	179.2	-73.3	-72.3	0	0	0	115.3	L571 F572 I573 G577 L584 A588 T591 F592 T595 L668	L571-F575 VanDerWaalsContact O-CD2 3.27Å; L571-F575 WeakPolarHBondContact O-CD2 3.4Å; L571-F575 PolarHBondContact O-N 3.37Å; L571-F575 VanDerWaalsContact O-N 3.12Å; F572-F575 CarbonylContact O-C 3.57Å; F572-F575 PolarHBondContact O-N 3.04Å; F572-F575 VanDerWaalsContact O-N 3.09Å; I573-F575 PolarHBondContact O-N 3.01Å; F575-G577 PolarHBondContact O-N 3.43Å; F575-L584 HydrophobicContact CB-CD1 3.96Å; F575-L584 WeakPolarHBondContact O-CD1 3.14Å; F575-A588 WeakPolarHBondContact O-CB 3.27Å; F575-T591 HydrophobicContact CD1-CG2 4.31Å; F575-T591 HydrophobicContact CE1-CG2 4.13Å; F575-F592 HydrophobicContact CB-CB 4.34Å; F575-F592 HydrophobicContact CD1-CB 3.97Å; F575-F592 HydrophobicContact CD2-CB 3.76Å; F575-F592 AromaticContact CD2-CD2 3.8Å; F575-F592 HydrophobicContact CD2-CD2 3.8Å; F575-F592 HydrophobicContact CD2-CG 4.16Å; F575-F592 HydrophobicContact CE1-CB 4.19Å; F575-F592 HydrophobicContact CE2-CB 4.01Å; F575-F592 AromaticContact CE2-CD2 3.61Å; F575-F592 HydrophobicContact CE2-CD2 3.61Å; F575-F592 HydrophobicContact CE2-CG 4.28Å; F575-F592 HydrophobicContact CG-CB 3.75Å; F575-F592 HydrophobicContact CZ-CB 4.2Å; F575-F592 HydrophobicContact CZ-CD2 4.28Å; F575-T595 HydrophobicContact CE1-CG2 4.42Å; F575-T595 HydrophobicContact CZ-CG2 4.06Å; F575-L668 HydrophobicContact CE2-CD1 4.21Å; F575-L668 HydrophobicContact CE2-CD2 4.18Å; F575-L668 HydrophobicContact CZ-CD2 3.8Å
576	L	88.9	Confident	88.8	Confident	18 Å²	18	42.4 Å²	42.4	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-54	-35.6	173	-85	172.7	0	0	0	112.7	V424 F572 I573 V578 N581 L584	V424-L576 HydrophobicContact CG1-CD1 4.29Å; F572-L576 HydrophobicContact CD1-CD1 3.88Å; F572-L576 HydrophobicContact CD1-CG 4.15Å; F572-L576 HydrophobicContact CE1-CD1 3.62Å; F572-L576 HydrophobicContact CE1-CD2 4.02Å; F572-L576 HydrophobicContact CE1-CG 3.93Å; F572-L576 HydrophobicContact CE2-CD2 4.48Å; F572-L576 HydrophobicContact CZ-CD1 4.36Å; F572-L576 HydrophobicContact CZ-CD2 3.91Å; F572-L576 HydrophobicContact CZ-CG 4.25Å; F572-L576 PolarHBondContact O-N 3.03Å; I573-L576 PolarHBondContact O-N 3.49Å; L576-V578 PolarHBondContact O-N 2.85Å; L576-N581 WeakPolarHBondContact CD1-O 3.4Å; L576-L584 HydrophobicContact CD2-CB 4.18Å
577	G	66.5	Low	88.7	Confident	77 Å²	77	45.4 Å²	45.4	79%	0.794	27%	0.266	S	S	*	.			trans	69.3	-20.9	167.7	0	0	0	0	0	117	F575	F575-G577 PolarHBondContact O-N 3.43Å
578	V	69.4	Low	88.6	Confident	98 Å²	98	43.4 Å²	43.4	59%	0.594	26%	0.263	S	S	*	.	S	Bend	trans	-117.2	125.2	-177.7	-178.5	0	0	0	0	109.5	L576 G580 N581	L576-V578 PolarHBondContact O-N 2.85Å; V578-G580 PolarHBondContact O-N 3.48Å; V578-N581 HydrophobicContact CB-CB 3.9Å; V578-N581 HydrophobicContact CG1-CB 4.16Å; V578-N581 WeakPolarHBondContact O-CB 3.35Å; V578-N581 PolarHBondContact O-N 2.81Å
579	K	69.9	Low	88.5	Confident	146 Å²	146	43.5 Å²	43.5	64%	0.635	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	133.1	176.4	-65.2	179.6	179	178.3	0	110	N581	K579-N581 VanDerWaalsContact C-N 3.3Å
580	G	75.1	Confident	88.5	Confident	48 Å²	48	46.2 Å²	46.2	50%	0.495	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-1.9	-178.3	0	0	0	0	0	115.5	A428 V578	A428-G580 WeakPolarHBondContact O-CA 3.3Å; V578-G580 PolarHBondContact O-N 3.48Å
581	N	83.5	Confident	88.5	Confident	48 Å²	48	47.6 Å²	47.6	26%	0.257	28%	0.279	S	S	.	.			trans	-89.7	137.9	176.5	-179.6	22.6	0	0	0	111.1	L576 V578 K579 R583	L576-N581 WeakPolarHBondContact CD1-O 3.4Å; V578-N581 HydrophobicContact CB-CB 3.9Å; V578-N581 HydrophobicContact CG1-CB 4.16Å; V578-N581 WeakPolarHBondContact O-CB 3.35Å; V578-N581 PolarHBondContact O-N 2.81Å; K579-N581 VanDerWaalsContact C-N 3.3Å; N581-R583 PolarHBondContact ND2-O 3.08Å; N581-R583 PolarHBondContact OD1-N 3.18Å; N581-R583 PolarHBondContact OD1-O 3.41Å
582	M	89.2	Confident	88.5	Confident	48 Å²	48	47.5 Å²	47.5	24%	0.236	28%	0.279	C	S	.	.			trans	-108.4	-3.3	174.6	-69.2	-164.8	72.7	0	0	114.2	V424 H425 A428	V424-M582 HydrophobicContact CB-CE 4.26Å; V424-M582 HydrophobicContact CG1-CB 4.45Å; V424-M582 HydrophobicContact CG1-CE 3.67Å; V424-M582 HydrophobicContact CG1-CG 4.21Å; H425-M582 HydrophobicContact CB-CE 4.34Å; H425-M582 VanDerWaalsContact CE1-CE 3.4Å; H425-M582 WeakPolarHBondContact CE1-CE 3.29Å; H425-M582 VanDerWaalsContact CG-CE 3.49Å; H425-M582 WeakPolarHBondContact ND1-CE 3.39Å; H425-M582 PolarHBondContact ND1-SD 3.39Å; A428-M582 HydrophobicContact CB-CG 3.85Å; A428-M582 HydrophobicContact CB-SD 4.46Å
583	R	91.3	Very high	88.5	Confident	40 Å²	40	47.5 Å²	47.5	15%	0.151	28%	0.279	C	S	.	.			trans	-115.7	115.4	-174.4	-60.5	-59.7	-170.7	161.3	-6.4	111.7	N581 G585 S626 E628	N581-R583 PolarHBondContact ND2-O 3.08Å; N581-R583 PolarHBondContact OD1-N 3.18Å; N581-R583 PolarHBondContact OD1-O 3.41Å; R583-G585 PolarHBondContact O-N 2.85Å; R583-S626 PolarHBondContact NH2-OG 3.23Å; R583-E628 HydrophobicContact CG-CB 3.95Å
584	L	92.6	Very high	88.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-74.3	112.8	174.1	-172.4	77	0	0	0	109.7	F572 F575 L576 A588 F589 Y612 M631 F636	F572-L584 HydrophobicContact CD2-CB 4.14Å; F572-L584 HydrophobicContact CD2-CD2 4.23Å; F572-L584 HydrophobicContact CE2-CB 3.52Å; F572-L584 HydrophobicContact CE2-CD2 4.34Å; F572-L584 HydrophobicContact CE2-CG 4.46Å; F572-L584 HydrophobicContact CZ-CB 4.21Å; F575-L584 HydrophobicContact CB-CD1 3.96Å; F575-L584 WeakPolarHBondContact O-CD1 3.14Å; L576-L584 HydrophobicContact CD2-CB 4.18Å; L584-A588 HydrophobicContact CD1-CB 3.48Å; L584-A588 VanDerWaalsContact CD1-CB 3.48Å; L584-A588 HydrophobicContact CG-CB 4.1Å; L584-F589 HydrophobicContact CD2-CB 4.03Å; L584-F589 HydrophobicContact CD2-CD2 3.9Å; L584-F589 HydrophobicContact CD2-CG 4.47Å; L584-F589 HydrophobicContact CG-CB 4.47Å; L584-Y612 WeakPolarHBondContact O-CE2 3.4Å; L584-Y612 PolarHBondContact O-OH 3.41Å; L584-M631 HydrophobicContact CB-CB 4.42Å; L584-M631 PolarHBondContact N-O 3.4Å; L584-M631 PolarHBondContact O-N 2.89Å; L584-F636 HydrophobicContact CD2-CD2 3.52Å; L584-F636 HydrophobicContact CD2-CE2 3.74Å; L584-F636 HydrophobicContact CD2-CG 4.45Å
585	G	93.1	Very high	88.8	Confident	22 Å²	22	50 Å²	50	23%	0.227	29%	0.293	C	S	.	.			trans	-77.5	165.2	177.2	0	0	0	0	0	113.7	R583 T587 A588 F589	R583-G585 PolarHBondContact O-N 2.85Å; G585-T587 VanDerWaalsContact C-N 3.32Å; G585-T587 PolarHBondContact O-N 3.25Å; G585-A588 WeakPolarHBondContact O-CB 3.42Å; G585-A588 PolarHBondContact O-N 2.92Å; G585-F589 PolarHBondContact O-N 3.12Å
586	P	93.9	Very high	88.8	Confident	52 Å²	52	48.8 Å²	48.8	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-35.8	-172.9	24	-33.2	0	0	0	113	A588 F589 R590 Y612	P586-A588 VanDerWaalsContact C-N 3.34Å; P586-F589 PolarHBondContact O-N 3.44Å; P586-R590 WeakPolarHBondContact O-CB 3.31Å; P586-R590 WeakPolarHBondContact O-CG 3.47Å; P586-R590 PolarHBondContact O-N 3.43Å; P586-Y612 HydrophobicContact CB-CD1 3.89Å; P586-Y612 HydrophobicContact CB-CE1 3.66Å; P586-Y612 HydrophobicContact CB-CE2 4.43Å; P586-Y612 HydrophobicContact CB-CG 4.43Å; P586-Y612 WeakPolarHBondContact CD-OH 3.49Å; P586-Y612 HydrophobicContact CG-CE1 4.2Å
587	T	93.8	Very high	89	Confident	90 Å²	90	54.7 Å²	54.7	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-37.1	175.5	-64.4	0	0	0	0	112	G585 R590 T591	G585-T587 VanDerWaalsContact C-N 3.32Å; G585-T587 PolarHBondContact O-N 3.25Å; T587-R590 PolarHBondContact OG1-NH2 3.14Å; T587-T591 PolarHBondContact O-N 3.01Å; T587-T591 PolarHBondContact O-OG1 3.27Å
588	A	94.7	Very high	90.2	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	28%	0.275	C	S	.	.	H	α-helix	trans	-69.8	-41.9	176.4	0	0	0	0	0	111.6	F575 L584 G585 P586 T591 F592	F575-A588 WeakPolarHBondContact O-CB 3.27Å; L584-A588 HydrophobicContact CD1-CB 3.48Å; L584-A588 VanDerWaalsContact CD1-CB 3.48Å; L584-A588 HydrophobicContact CG-CB 4.1Å; G585-A588 WeakPolarHBondContact O-CB 3.42Å; G585-A588 PolarHBondContact O-N 2.92Å; P586-A588 VanDerWaalsContact C-N 3.34Å; A588-T591 WeakPolarHBondContact O-CB 3.32Å; A588-T591 PolarHBondContact O-N 3.37Å; A588-T591 VanDerWaalsContact O-N 3.11Å; A588-F592 PolarHBondContact O-N 3.3Å
589	F	95.9	Very high	91	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.8	173.1	-172.8	-110.4	0	0	0	112.4	L584 G585 P586 T591 F592 I593 V608 Y612 M631 F636 A639 L643	L584-F589 HydrophobicContact CD2-CB 4.03Å; L584-F589 HydrophobicContact CD2-CD2 3.9Å; L584-F589 HydrophobicContact CD2-CG 4.47Å; L584-F589 HydrophobicContact CG-CB 4.47Å; G585-F589 PolarHBondContact O-N 3.12Å; P586-F589 PolarHBondContact O-N 3.44Å; F589-T591 VanDerWaalsContact C-N 3.27Å; F589-T591 PolarHBondContact O-N 3.24Å; F589-F592 HydrophobicContact CD2-CD1 4.04Å; F589-F592 HydrophobicContact CE2-CD1 4.04Å; F589-F592 HydrophobicContact CE2-CE1 4.22Å; F589-F592 WeakPolarHBondContact O-CB 3.44Å; F589-F592 PolarHBondContact O-N 2.81Å; F589-I593 HydrophobicContact CE1-CG1 4.38Å; F589-I593 HydrophobicContact CZ-CD1 4.38Å; F589-I593 WeakPolarHBondContact O-CG1 3.5Å; F589-I593 PolarHBondContact O-N 3.2Å; F589-V608 HydrophobicContact CD1-CG1 4.08Å; F589-V608 HydrophobicContact CE1-CG1 3.88Å; F589-Y612 HydrophobicContact CB-CD2 3.71Å; F589-Y612 HydrophobicContact CB-CE2 4.06Å; F589-Y612 AromaticContact CD1-CD2 3.67Å; F589-Y612 HydrophobicContact CD1-CD2 3.67Å; F589-Y612 HydrophobicContact CD1-CG 4.12Å; F589-Y612 HydrophobicContact CD2-CD2 4.45Å; F589-Y612 HydrophobicContact CE1-CD2 4.37Å; F589-Y612 AromaticContact CG-CD2 3.71Å; F589-Y612 HydrophobicContact CG-CD2 3.71Å; F589-Y612 HydrophobicContact CG-CE2 4.45Å; F589-M631 HydrophobicContact CD2-SD 4.47Å; F589-M631 HydrophobicContact CE2-SD 4.43Å; F589-F636 HydrophobicContact CD2-CD2 4.03Å; F589-F636 AromaticContact CD2-CE2 3.95Å; F589-F636 HydrophobicContact CD2-CE2 3.95Å; F589-F636 HydrophobicContact CE2-CD2 4.03Å; F589-F636 AromaticContact CE2-CE2 3.98Å; F589-F636 HydrophobicContact CE2-CE2 3.98Å; F589-A639 HydrophobicContact CE2-CB 4.1Å; F589-A639 HydrophobicContact CZ-CB 4.12Å; F589-L643 HydrophobicContact CE2-CD1 4.48Å; F589-L643 HydrophobicContact CZ-CD1 4.18Å
590	R	95.3	Very high	91.6	Very high	58 Å²	58	44.6 Å²	44.6	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-32.9	172.1	-73.8	-174.1	-71.1	-107.9	1.5	113.1	P586 T587 R594 M605 D609	P586-R590 WeakPolarHBondContact O-CB 3.31Å; P586-R590 WeakPolarHBondContact O-CG 3.47Å; P586-R590 PolarHBondContact O-N 3.43Å; T587-R590 PolarHBondContact OG1-NH2 3.14Å; R590-R594 WeakPolarHBondContact O-CG 3.19Å; R590-R594 PolarHBondContact O-N 3.47Å; R590-M605 HydrophobicContact CB-CE 3.87Å; R590-M605 HydrophobicContact CG-CE 3.59Å; R590-D609 VanDerWaalsContact CD-OD1 3.24Å; R590-D609 WeakPolarHBondContact CD-OD1 3.36Å; R590-D609 WeakPolarHBondContact CG-OD1 3.32Å; R590-D609 IonicContact CZ-OD1 3.58Å; R590-D609 IonicContact NE-OD1 3.15Å; R590-D609 IonicContact NH1-OD1 2.7Å; R590-D609 PolarHBondContact NH1-OD1 3.12Å; R590-D609 IonicContact NH1-OD2 3.54Å
591	T	95.3	Very high	91.6	Very high	60 Å²	60	47.2 Å²	47.2	37%	0.368	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-46	173.7	-62.4	0	0	0	0	110.9	F575 T587 A588 F589 I593 R594 T595	F575-T591 HydrophobicContact CD1-CG2 4.31Å; F575-T591 HydrophobicContact CE1-CG2 4.13Å; T587-T591 PolarHBondContact O-N 3.01Å; T587-T591 PolarHBondContact O-OG1 3.27Å; A588-T591 WeakPolarHBondContact O-CB 3.32Å; A588-T591 PolarHBondContact O-N 3.37Å; A588-T591 VanDerWaalsContact O-N 3.11Å; F589-T591 VanDerWaalsContact C-N 3.27Å; F589-T591 PolarHBondContact O-N 3.24Å; T591-I593 PolarHBondContact O-N 3.13Å; T591-R594 PolarHBondContact O-N 2.8Å; T591-T595 WeakPolarHBondContact O-CB 3.45Å; T591-T595 PolarHBondContact O-N 2.84Å; T591-T595 PolarHBondContact O-OG1 3.06Å; T591-T595 VanDerWaalsContact O-OG1 3.06Å
592	F	96	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-50.5	-54.1	171.9	159	-117	0	0	0	112.3	F575 A588 F589 R594 T595 C596 L598 F636 F640 L643	F575-F592 HydrophobicContact CB-CB 4.34Å; F575-F592 HydrophobicContact CD1-CB 3.97Å; F575-F592 HydrophobicContact CD2-CB 3.76Å; F575-F592 AromaticContact CD2-CD2 3.8Å; F575-F592 HydrophobicContact CD2-CD2 3.8Å; F575-F592 HydrophobicContact CD2-CG 4.16Å; F575-F592 HydrophobicContact CE1-CB 4.19Å; F575-F592 HydrophobicContact CE2-CB 4.01Å; F575-F592 AromaticContact CE2-CD2 3.61Å; F575-F592 HydrophobicContact CE2-CD2 3.61Å; F575-F592 HydrophobicContact CE2-CG 4.28Å; F575-F592 HydrophobicContact CG-CB 3.75Å; F575-F592 HydrophobicContact CZ-CB 4.2Å; F575-F592 HydrophobicContact CZ-CD2 4.28Å; A588-F592 PolarHBondContact O-N 3.3Å; F589-F592 HydrophobicContact CD2-CD1 4.04Å; F589-F592 HydrophobicContact CE2-CD1 4.04Å; F589-F592 HydrophobicContact CE2-CE1 4.22Å; F589-F592 WeakPolarHBondContact O-CB 3.44Å; F589-F592 PolarHBondContact O-N 2.81Å; F592-R594 VanDerWaalsContact C-N 3.29Å; F592-R594 PolarHBondContact O-N 2.89Å; F592-T595 PolarHBondContact O-N 3.25Å; F592-C596 HydrophobicContact CD2-CB 4.41Å; F592-C596 HydrophobicContact CE2-CB 4.28Å; F592-C596 WeakPolarHBondContact O-CB 3.4Å; F592-C596 PolarHBondContact O-N 3.49Å; F592-L598 HydrophobicContact CE1-CD1 4.13Å; F592-L598 HydrophobicContact CE2-CD1 4.29Å; F592-L598 HydrophobicContact CZ-CD1 3.78Å; F592-F636 AromaticContact CD1-CE2 3.74Å; F592-F636 HydrophobicContact CD1-CE2 3.74Å; F592-F636 HydrophobicContact CD1-CZ 4.05Å; F592-F636 HydrophobicContact CD2-CZ 4.48Å; F592-F636 AromaticContact CE1-CE2 3.75Å; F592-F636 HydrophobicContact CE1-CE2 3.75Å; F592-F636 AromaticContact CE1-CZ 3.81Å; F592-F636 HydrophobicContact CE1-CZ 3.81Å; F592-F636 HydrophobicContact CE2-CZ 4.27Å; F592-F636 HydrophobicContact CG-CE2 4.32Å; F592-F636 HydrophobicContact CG-CZ 4.38Å; F592-F636 HydrophobicContact CZ-CE2 4.35Å; F592-F636 AromaticContact CZ-CZ 3.93Å; F592-F636 HydrophobicContact CZ-CZ 3.93Å; F592-F640 HydrophobicContact CE2-CE2 4.47Å; F592-F640 AromaticContact CZ-CD2 3.95Å; F592-F640 HydrophobicContact CZ-CD2 3.95Å; F592-F640 AromaticContact CZ-CE2 3.96Å; F592-F640 HydrophobicContact CZ-CE2 3.96Å; F592-L643 HydrophobicContact CE1-CD1 3.89Å
593	I	96.5	Very high	91.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55.8	-41.5	179.2	-66.2	-53.9	0	0	0	112.5	F589 T591 K597 L598 M605 V608 L643	F589-I593 HydrophobicContact CE1-CG1 4.38Å; F589-I593 HydrophobicContact CZ-CD1 4.38Å; F589-I593 WeakPolarHBondContact O-CG1 3.5Å; F589-I593 PolarHBondContact O-N 3.2Å; T591-I593 PolarHBondContact O-N 3.13Å; I593-K597 PolarHBondContact O-N 3.27Å; I593-L598 HydrophobicContact CD1-CB 4.26Å; I593-L598 HydrophobicContact CD1-CD1 3.88Å; I593-L598 HydrophobicContact CG2-CB 4.31Å; I593-L598 PolarHBondContact O-N 3.06Å; I593-M605 HydrophobicContact CG2-SD 4.17Å; I593-V608 HydrophobicContact CB-CG1 4.43Å; I593-V608 HydrophobicContact CG1-CG1 3.73Å; I593-V608 HydrophobicContact CG1-CG2 4.23Å; I593-V608 HydrophobicContact CG2-CG1 4.45Å; I593-V608 HydrophobicContact CG2-CG2 4.07Å; I593-L643 HydrophobicContact CD1-CD1 3.66Å; I593-L643 HydrophobicContact CD1-CD2 3.92Å; I593-L643 HydrophobicContact CD1-CG 4.48Å
594	R	94.9	Very high	91.3	Very high	135 Å²	135	50.8 Å²	50.8	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-75.4	-45.3	-178.9	-70.7	174.9	-173.7	136.3	-4.6	112.5	R590 T591 F592 C596 K597 M605	R590-R594 WeakPolarHBondContact O-CG 3.19Å; R590-R594 PolarHBondContact O-N 3.47Å; T591-R594 PolarHBondContact O-N 2.8Å; F592-R594 VanDerWaalsContact C-N 3.29Å; F592-R594 PolarHBondContact O-N 2.89Å; R594-C596 VanDerWaalsContact C-N 3.34Å; R594-C596 PolarHBondContact O-N 3.45Å; R594-K597 PolarHBondContact O-N 3.43Å; R594-K597 VanDerWaalsContact O-N 3.08Å; R594-M605 HydrophobicContact CG-SD 4.21Å
595	T	94.7	Very high	91.3	Very high	59 Å²	59	52.9 Å²	52.9	36%	0.362	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-41.5	179.6	-57.6	0	0	0	0	110.9	F575 T591 F592 K597 L668	F575-T595 HydrophobicContact CE1-CG2 4.42Å; F575-T595 HydrophobicContact CZ-CG2 4.06Å; T591-T595 WeakPolarHBondContact O-CB 3.45Å; T591-T595 PolarHBondContact O-N 2.84Å; T591-T595 PolarHBondContact O-OG1 3.06Å; T591-T595 VanDerWaalsContact O-OG1 3.06Å; F592-T595 PolarHBondContact O-N 3.25Å; T595-K597 PolarHBondContact O-N 3Å; T595-L668 HydrophobicContact CG2-CD2 3.53Å
596	C	94.8	Very high	91.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	10.6	174.5	-61	0	0	0	0	113.7	F592 R594 L598 C664 H667	F592-C596 HydrophobicContact CD2-CB 4.41Å; F592-C596 HydrophobicContact CE2-CB 4.28Å; F592-C596 WeakPolarHBondContact O-CB 3.4Å; F592-C596 PolarHBondContact O-N 3.49Å; R594-C596 VanDerWaalsContact C-N 3.34Å; R594-C596 PolarHBondContact O-N 3.45Å; C596-L598 HydrophobicContact CB-CD1 4.14Å; C596-L598 HydrophobicContact CB-CD2 4.24Å; C596-L598 HydrophobicContact CB-CG 3.83Å; C596-L598 VanDerWaalsContact O-CD2 3.25Å; C596-L598 WeakPolarHBondContact O-CD2 3.41Å; C596-L598 WeakPolarHBondContact O-CG 3.49Å; C596-L598 PolarHBondContact O-N 2.87Å; C596-C664 HydrophobicContact CB-CB 4.17Å; C596-H667 PolarHBondContact O-CD2 2.81Å
597	K	92.8	Very high	91.3	Very high	141 Å²	141	54.1 Å²	54.1	61%	0.613	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	36	177.5	-53.3	-172.3	-174.4	175.5	0	115.3	I593 R594 T595	I593-K597 PolarHBondContact O-N 3.27Å; R594-K597 PolarHBondContact O-N 3.43Å; R594-K597 VanDerWaalsContact O-N 3.08Å; T595-K597 PolarHBondContact O-N 3Å
598	L	91.4	Very high	91.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	28%	0.278	C	S	.	.			trans	-78	-27.5	-173.4	-58.9	-177.1	0	0	0	112.9	F592 I593 C596 N600 L643 L660 L663	F592-L598 HydrophobicContact CE1-CD1 4.13Å; F592-L598 HydrophobicContact CE2-CD1 4.29Å; F592-L598 HydrophobicContact CZ-CD1 3.78Å; I593-L598 HydrophobicContact CD1-CB 4.26Å; I593-L598 HydrophobicContact CD1-CD1 3.88Å; I593-L598 HydrophobicContact CG2-CB 4.31Å; I593-L598 PolarHBondContact O-N 3.06Å; C596-L598 HydrophobicContact CB-CD1 4.14Å; C596-L598 HydrophobicContact CB-CD2 4.24Å; C596-L598 HydrophobicContact CB-CG 3.83Å; C596-L598 VanDerWaalsContact O-CD2 3.25Å; C596-L598 WeakPolarHBondContact O-CD2 3.41Å; C596-L598 WeakPolarHBondContact O-CG 3.49Å; C596-L598 PolarHBondContact O-N 2.87Å; L598-N600 PolarHBondContact O-ND2 2.88Å; L598-L643 HydrophobicContact CD1-CD1 4.47Å; L598-L660 HydrophobicContact CD1-CD1 4.01Å; L598-L660 HydrophobicContact CD2-CD1 3.43Å; L598-L660 VanDerWaalsContact CD2-CD1 3.43Å; L598-L660 HydrophobicContact CG-CD1 4.37Å; L598-L663 HydrophobicContact CD2-CD2 3.75Å; L598-L663 HydrophobicContact CD2-CG 4.31Å
599	S	86.1	Confident	91.3	Very high	50 Å²	50	50.6 Å²	50.6	35%	0.35	28%	0.279	S	S	.	.			trans	-64.7	131.7	178.3	56.1	0	0	0	0	112.7	L603	S599-L603 WeakPolarHBondContact CA-O 3.35Å
600	N	82.3	Confident	91.3	Very high	56 Å²	56	55.3 Å²	55.3	30%	0.299	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-152	-175.1	178.2	61.8	76	0	0	0	109.8	L598 N602 L603	L598-N600 PolarHBondContact O-ND2 2.88Å; N600-N602 PolarHBondContact O-N 2.89Å; N600-N602 VanDerWaalsContact O-N 3.14Å; N600-N602 WeakPolarHBondContact OD1-CA 3.45Å; N600-N602 WeakPolarHBondContact OD1-CB 3.49Å; N600-N602 PolarHBondContact OD1-N 3.09Å; N600-L603 PolarHBondContact N-O 3.3Å; N600-L603 VanDerWaalsContact N-O 3.13Å; N600-L603 CarbonylContact O-C 3.09Å; N600-L603 PolarHBondContact O-N 3.38Å; N600-L603 VanDerWaalsContact O-O 3.06Å; N600-L603 PolarHBondContact OD1-N 2.97Å
601	S	75.7	Confident	91.3	Very high	104 Å²	104	52.9 Å²	52.9	73%	0.727	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.5	179.6	57.3	0	0	0	0	113.7
602	N	78.3	Confident	91.3	Very high	138 Å²	138	50.8 Å²	50.8	74%	0.738	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.3	-177.6	-54.5	-10.2	0	0	0	112.2	N600	N600-N602 PolarHBondContact O-N 2.89Å; N600-N602 VanDerWaalsContact O-N 3.14Å; N600-N602 WeakPolarHBondContact OD1-CA 3.45Å; N600-N602 WeakPolarHBondContact OD1-CB 3.49Å; N600-N602 PolarHBondContact OD1-N 3.09Å
603	L	86.6	Confident	91.2	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.042	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-143.7	78.2	176.3	-173.1	70.1	0	0	0	109.6	S599 N600 V608 L643	S599-L603 WeakPolarHBondContact CA-O 3.35Å; N600-L603 PolarHBondContact N-O 3.3Å; N600-L603 VanDerWaalsContact N-O 3.13Å; N600-L603 CarbonylContact O-C 3.09Å; N600-L603 PolarHBondContact O-N 3.38Å; N600-L603 VanDerWaalsContact O-O 3.06Å; N600-L603 PolarHBondContact OD1-N 2.97Å; L603-V608 HydrophobicContact CD1-CG2 3.86Å; L603-V608 HydrophobicContact CD2-CG2 4.14Å; L603-V608 HydrophobicContact CG-CG2 3.78Å; L603-L643 HydrophobicContact CD1-CD2 4.26Å; L603-L643 HydrophobicContact CD2-CD2 3.51Å
604	T	92.1	Very high	91.1	Very high	64 Å²	64	58.8 Å²	58.8	39%	0.393	32%	0.321	S	S	.	.			trans	-71	162.1	176.8	78.2	0	0	0	0	111.3	A606 S607 V608	T604-A606 PolarHBondContact O-N 2.81Å; T604-A606 PolarHBondContact OG1-N 3.37Å; T604-S607 WeakPolarHBondContact O-CB 3.37Å; T604-S607 PolarHBondContact O-N 3.28Å; T604-S607 VanDerWaalsContact O-N 3.13Å; T604-S607 PolarHBondContact OG1-N 2.87Å; T604-S607 VanDerWaalsContact OG1-N 3.08Å; T604-S607 PolarHBondContact OG1-OG 3.38Å; T604-V608 WeakPolarHBondContact O-CG2 3.39Å; T604-V608 PolarHBondContact O-N 3.22Å
605	M	93.3	Very high	91	Very high	45 Å²	45	52.3 Å²	52.3	22%	0.222	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-33	173.7	-67.7	-56.6	-43.8	0	0	112.8	R590 I593 R594 V608 D609	R590-M605 HydrophobicContact CB-CE 3.87Å; R590-M605 HydrophobicContact CG-CE 3.59Å; I593-M605 HydrophobicContact CG2-SD 4.17Å; R594-M605 HydrophobicContact CG-SD 4.21Å; M605-V608 HydrophobicContact CE-CG1 4.07Å; M605-V608 WeakPolarHBondContact O-CB 3.25Å; M605-V608 PolarHBondContact O-N 3.04Å; M605-D609 PolarHBondContact O-N 3.02Å
606	A	93.2	Very high	90.9	Very high	61 Å²	61	50.5 Å²	50.5	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-41.7	174.2	0	0	0	0	0	111.5	T604 V608 D609 I610	T604-A606 PolarHBondContact O-N 2.81Å; T604-A606 PolarHBondContact OG1-N 3.37Å; A606-V608 PolarHBondContact O-N 3.43Å; A606-D609 PolarHBondContact O-N 2.74Å; A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.35Å; A606-I610 PolarHBondContact O-N 2.91Å
607	S	93.3	Very high	90.5	Very high	39 Å²	39	57.5 Å²	57.5	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-26.5	174.2	-46.9	0	0	0	0	113	T604 L611	T604-S607 WeakPolarHBondContact O-CB 3.37Å; T604-S607 PolarHBondContact O-N 3.28Å; T604-S607 VanDerWaalsContact O-N 3.13Å; T604-S607 PolarHBondContact OG1-N 2.87Å; T604-S607 VanDerWaalsContact OG1-N 3.08Å; T604-S607 PolarHBondContact OG1-OG 3.38Å; S607-L611 WeakPolarHBondContact O-CB 3.27Å; S607-L611 PolarHBondContact O-N 3.03Å
608	V	94.4	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-79.1	-43.5	174.8	158.5	0	0	0	0	111.9	F589 I593 L603 T604 M605 A606 I610 L611 Y612	F589-V608 HydrophobicContact CD1-CG1 4.08Å; F589-V608 HydrophobicContact CE1-CG1 3.88Å; I593-V608 HydrophobicContact CB-CG1 4.43Å; I593-V608 HydrophobicContact CG1-CG1 3.73Å; I593-V608 HydrophobicContact CG1-CG2 4.23Å; I593-V608 HydrophobicContact CG2-CG1 4.45Å; I593-V608 HydrophobicContact CG2-CG2 4.07Å; L603-V608 HydrophobicContact CD1-CG2 3.86Å; L603-V608 HydrophobicContact CD2-CG2 4.14Å; L603-V608 HydrophobicContact CG-CG2 3.78Å; T604-V608 WeakPolarHBondContact O-CG2 3.39Å; T604-V608 PolarHBondContact O-N 3.22Å; M605-V608 HydrophobicContact CE-CG1 4.07Å; M605-V608 WeakPolarHBondContact O-CB 3.25Å; M605-V608 PolarHBondContact O-N 3.04Å; A606-V608 PolarHBondContact O-N 3.43Å; V608-I610 VanDerWaalsContact C-N 3.34Å; V608-L611 PolarHBondContact O-N 3.43Å; V608-Y612 PolarHBondContact O-N 3.12Å
609	D	95.1	Very high	89.9	Confident	41 Å²	41	58.8 Å²	58.8	22%	0.219	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-38.4	176.4	-76.9	-44.4	0	0	0	111.3	R590 M605 A606 Y612 I613	R590-D609 VanDerWaalsContact CD-OD1 3.24Å; R590-D609 WeakPolarHBondContact CD-OD1 3.36Å; R590-D609 WeakPolarHBondContact CG-OD1 3.32Å; R590-D609 IonicContact CZ-OD1 3.58Å; R590-D609 IonicContact NE-OD1 3.15Å; R590-D609 IonicContact NH1-OD1 2.7Å; R590-D609 PolarHBondContact NH1-OD1 3.12Å; R590-D609 IonicContact NH1-OD2 3.54Å; M605-D609 PolarHBondContact O-N 3.02Å; A606-D609 PolarHBondContact O-N 2.74Å; D609-Y612 PolarHBondContact O-N 2.73Å; D609-I613 WeakPolarHBondContact O-CD1 3.25Å; D609-I613 VanDerWaalsContact O-CG1 3.24Å; D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 2.86Å
610	I	95.1	Very high	89.2	Confident	100 Å²	100	59.5 Å²	59.5	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-51.5	170.6	-68.1	164.5	0	0	0	110.8	A606 V608 Y612 I613 D614	A606-I610 VanDerWaalsContact O-CG1 3.29Å; A606-I610 WeakPolarHBondContact O-CG1 3.35Å; A606-I610 PolarHBondContact O-N 2.91Å; V608-I610 VanDerWaalsContact C-N 3.34Å; I610-Y612 VanDerWaalsContact C-N 3.27Å; I610-Y612 PolarHBondContact O-N 3.46Å; I610-I613 PolarHBondContact O-N 3.02Å; I610-D614 WeakPolarHBondContact CG2-OD2 3.32Å; I610-D614 PolarHBondContact O-N 3.37Å
611	L	95.3	Very high	88.1	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-55.9	-42.2	178.5	179.9	66	0	0	0	112.1	S607 V608 I615 N642 L643	S607-L611 WeakPolarHBondContact O-CB 3.27Å; S607-L611 PolarHBondContact O-N 3.03Å; V608-L611 PolarHBondContact O-N 3.43Å; L611-I615 HydrophobicContact CD1-CD1 3.6Å; L611-I615 HydrophobicContact CD1-CG1 4.24Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CB 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.2Å; L611-I615 PolarHBondContact O-N 3.18Å; L611-N642 HydrophobicContact CD1-CB 3.97Å; L611-N642 HydrophobicContact CD2-CB 4.36Å; L611-L643 HydrophobicContact CD2-CD2 4Å; L611-L643 HydrophobicContact CD2-CG 4.06Å
612	Y	95.6	Very high	87.3	Confident	16 Å²	16	60.5 Å²	60.5	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-45.9	175.7	176.6	-84.7	0	0	0	111.9	L584 P586 F589 V608 D609 I610 T616 G630 M631	L584-Y612 WeakPolarHBondContact O-CE2 3.4Å; L584-Y612 PolarHBondContact O-OH 3.41Å; P586-Y612 HydrophobicContact CB-CD1 3.89Å; P586-Y612 HydrophobicContact CB-CE1 3.66Å; P586-Y612 HydrophobicContact CB-CE2 4.43Å; P586-Y612 HydrophobicContact CB-CG 4.43Å; P586-Y612 WeakPolarHBondContact CD-OH 3.49Å; P586-Y612 HydrophobicContact CG-CE1 4.2Å; F589-Y612 HydrophobicContact CB-CD2 3.71Å; F589-Y612 HydrophobicContact CB-CE2 4.06Å; F589-Y612 AromaticContact CD1-CD2 3.67Å; F589-Y612 HydrophobicContact CD1-CD2 3.67Å; F589-Y612 HydrophobicContact CD1-CG 4.12Å; F589-Y612 HydrophobicContact CD2-CD2 4.45Å; F589-Y612 HydrophobicContact CE1-CD2 4.37Å; F589-Y612 AromaticContact CG-CD2 3.71Å; F589-Y612 HydrophobicContact CG-CD2 3.71Å; F589-Y612 HydrophobicContact CG-CE2 4.45Å; V608-Y612 PolarHBondContact O-N 3.12Å; D609-Y612 PolarHBondContact O-N 2.73Å; I610-Y612 VanDerWaalsContact C-N 3.27Å; I610-Y612 PolarHBondContact O-N 3.46Å; Y612-T616 WeakPolarHBondContact O-CB 3.39Å; Y612-T616 PolarHBondContact O-N 3.25Å; Y612-T616 PolarHBondContact O-OG1 2.8Å; Y612-G630 WeakPolarHBondContact OH-CA 3.24Å; Y612-M631 HydrophobicContact CD2-CE 3.62Å; Y612-M631 HydrophobicContact CD2-SD 4.37Å; Y612-M631 HydrophobicContact CE2-CB 3.88Å; Y612-M631 HydrophobicContact CE2-CE 4.04Å; Y612-M631 HydrophobicContact CE2-SD 4.5Å; Y612-M631 HydrophobicContact CG-CE 4.22Å
613	I	94.1	Very high	86.4	Confident	99 Å²	99	56.7 Å²	56.7	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-48.7	-179.6	-70.4	164	0	0	0	110.8	D609 I610 I615 T616 R617	D609-I613 WeakPolarHBondContact O-CD1 3.25Å; D609-I613 VanDerWaalsContact O-CG1 3.24Å; D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 2.86Å; I610-I613 PolarHBondContact O-N 3.02Å; I613-I615 PolarHBondContact O-N 3.49Å; I613-T616 PolarHBondContact O-N 3.09Å; I613-R617 VanDerWaalsContact O-CB 3.25Å; I613-R617 WeakPolarHBondContact O-CB 3.45Å; I613-R617 PolarHBondContact O-N 2.87Å
614	D	93.7	Very high	84.3	Confident	68 Å²	68	61 Å²	61	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-40.8	-175.9	-72.5	-30.9	0	0	0	112.8	I610 R618	I610-D614 WeakPolarHBondContact CG2-OD2 3.32Å; I610-D614 PolarHBondContact O-N 3.37Å; D614-R618 WeakPolarHBondContact O-CG 3.41Å; D614-R618 PolarHBondContact O-N 2.97Å; D614-R618 PolarHBondContact O-NE 3.1Å
615	I	93.6	Very high	82	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-49.7	175.7	-67.9	175.9	0	0	0	110.2	L611 I613 R617 R618 W619 M631 A635 A639	L611-I615 HydrophobicContact CD1-CD1 3.6Å; L611-I615 HydrophobicContact CD1-CG1 4.24Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CB 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.2Å; L611-I615 PolarHBondContact O-N 3.18Å; I613-I615 PolarHBondContact O-N 3.49Å; I615-R617 VanDerWaalsContact C-N 3.29Å; I615-R617 PolarHBondContact O-N 3.46Å; I615-R618 PolarHBondContact O-N 3.39Å; I615-W619 PolarHBondContact O-N 3.35Å; I615-M631 HydrophobicContact CB-CE 3.95Å; I615-M631 HydrophobicContact CG2-CE 3.77Å; I615-A635 HydrophobicContact CG2-CB 3.97Å; I615-A635 WeakPolarHBondContact CG2-O 3.49Å; I615-A639 VanDerWaalsContact CD1-CA 3.43Å; I615-A639 HydrophobicContact CD1-CB 3.58Å
616	T	91.4	Very high	80.1	Confident	20 Å²	20	65.3 Å²	65.3	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-43.6	-179.9	-55.4	0	0	0	0	110.7	Y612 I613 R618 W619 S620	Y612-T616 WeakPolarHBondContact O-CB 3.39Å; Y612-T616 PolarHBondContact O-N 3.25Å; Y612-T616 PolarHBondContact O-OG1 2.8Å; I613-T616 PolarHBondContact O-N 3.09Å; T616-R618 PolarHBondContact O-N 2.9Å; T616-W619 PolarHBondContact O-N 3.01Å; T616-S620 WeakPolarHBondContact O-CB 3.35Å; T616-S620 PolarHBondContact O-N 3.26Å; T616-S620 PolarHBondContact O-OG 2.94Å; T616-S620 VanDerWaalsContact O-OG 3.11Å
617	R	88.1	Confident	78.1	Confident	147 Å²	147	74.5 Å²	74.5	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-60.9	-44.3	178.4	-169.2	-177.4	76.1	-171.1	0.9	112.4	I613 I615 S620 F621	I613-R617 VanDerWaalsContact O-CB 3.25Å; I613-R617 WeakPolarHBondContact O-CB 3.45Å; I613-R617 PolarHBondContact O-N 2.87Å; I615-R617 VanDerWaalsContact C-N 3.29Å; I615-R617 PolarHBondContact O-N 3.46Å; R617-S620 PolarHBondContact O-N 3.37Å; R617-F621 HydrophobicContact CG-CD2 4.24Å; R617-F621 HydrophobicContact CG-CE2 3.82Å; R617-F621 WeakPolarHBondContact O-CD2 3.45Å; R617-F621 PolarHBondContact O-N 2.94Å
618	R	86.1	Confident	76.8	Confident	123 Å²	123	78.4 Å²	78.4	46%	0.464	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-45.5	177.3	-77.6	-173.5	-69.3	131.1	-4.6	111.7	D614 I615 T616 F621 E638	D614-R618 WeakPolarHBondContact O-CG 3.41Å; D614-R618 PolarHBondContact O-N 2.97Å; D614-R618 PolarHBondContact O-NE 3.1Å; I615-R618 PolarHBondContact O-N 3.39Å; T616-R618 PolarHBondContact O-N 2.9Å; R618-F621 PolarHBondContact O-N 3Å; R618-E638 IonicContact CZ-OE1 3.61Å; R618-E638 IonicContact CZ-OE2 2.69Å; R618-E638 IonicContact NH1-OE1 3.81Å; R618-E638 PolarHBondContact NH1-OE1 3.3Å; R618-E638 IonicContact NH1-OE2 3.16Å; R618-E638 PolarHBondContact NH1-OE2 2.84Å; R618-E638 IonicContact NH2-OE1 2.73Å; R618-E638 PolarHBondContact NH2-OE1 3.03Å; R618-E638 IonicContact NH2-OE2 3.43Å
619	W	84.3	Confident	76	Confident	48 Å²	48	83 Å²	83	18%	0.182	43%	0.425	C	S	.	.	H	α-helix	trans	-72.8	-25.2	179.4	-77.4	88.3	0	0	0	114.2	I615 T616 A622 Q634 A635 E638	I615-W619 PolarHBondContact O-N 3.35Å; T616-W619 PolarHBondContact O-N 3.01Å; W619-A622 PolarHBondContact O-N 3.36Å; W619-Q634 HydrophobicContact CE3-CB 4.45Å; W619-Q634 HydrophobicContact CH2-CB 3.55Å; W619-Q634 HydrophobicContact CH2-CG 4.41Å; W619-Q634 HydrophobicContact CZ2-CB 4.08Å; W619-Q634 HydrophobicContact CZ3-CB 3.77Å; W619-A635 HydrophobicContact CB-CB 3.99Å; W619-A635 HydrophobicContact CD2-CB 3.92Å; W619-A635 HydrophobicContact CG-CB 3.51Å; W619-E638 PolarHBondContact NE1-OE2 3.05Å
620	S	72.8	Confident	75.6	Confident	66 Å²	66	81.4 Å²	81.4	46%	0.462	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-34.4	170.9	-70.2	0	0	0	0	113	T616 R617 A622	T616-S620 WeakPolarHBondContact O-CB 3.35Å; T616-S620 PolarHBondContact O-N 3.26Å; T616-S620 PolarHBondContact O-OG 2.94Å; T616-S620 VanDerWaalsContact O-OG 3.11Å; R617-S620 PolarHBondContact O-N 3.37Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.5Å
621	F	59.1	Low	75.5	Confident	167 Å²	167	76.7 Å²	76.7	73%	0.732	39%	0.393	S	S	*	.	H	α-helix	trans	-72.5	-23.1	176.6	-77.3	-64.1	0	0	0	113.6	R617 R618	R617-F621 HydrophobicContact CG-CD2 4.24Å; R617-F621 HydrophobicContact CG-CE2 3.82Å; R617-F621 WeakPolarHBondContact O-CD2 3.45Å; R617-F621 PolarHBondContact O-N 2.94Å; R618-F621 PolarHBondContact O-N 3Å
622	A	58.8	Low	75.3	Confident	14 Å²	14	76.9 Å²	76.9	12%	0.116	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.1	-179.8	0	0	0	0	0	114.7	E241 Q296 W619 S620	E241-A622 HydrophobicContact CG-CB 4.21Å; Q296-A622 PolarHBondContact NE2-O 2.55Å; W619-A622 PolarHBondContact O-N 3.36Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.5Å
623	L	58	Low	75.3	Confident	57 Å²	57	76.4 Å²	76.4	30%	0.298	40%	0.396	S	S	.	.			trans	-145.4	67.7	-174.3	-82.9	161.5	0	0	0	110.2	D625 S626	L623-D625 VanDerWaalsContact C-N 3.26Å; L623-D625 PolarHBondContact O-N 3.25Å; L623-S626 PolarHBondContact O-N 3.08Å; L623-S626 VanDerWaalsContact O-N 3.08Å
624	A	43.8	Very low	75.3	Confident	98 Å²	98	73 Å²	73	81%	0.81	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.7	-166.6	0	0	0	0	0	116.3
625	D	43.7	Very low	75.3	Confident	157 Å²	157	69.9 Å²	69.9	84%	0.84	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.1	-177.2	-70.7	-56.8	0	0	0	114.8	L623 R627	L623-D625 VanDerWaalsContact C-N 3.26Å; L623-D625 PolarHBondContact O-N 3.25Å; D625-R627 PolarHBondContact O-N 3.23Å
626	S	52.4	Low	75.5	Confident	44 Å²	44	69.9 Å²	69.9	31%	0.308	36%	0.361	S	S	.	.			trans	-77.1	84.9	-174.2	-179.4	0	0	0	0	113	R583 L623 E628	R583-S626 PolarHBondContact NH2-OG 3.23Å; L623-S626 PolarHBondContact O-N 3.08Å; L623-S626 VanDerWaalsContact O-N 3.08Å; S626-E628 PolarHBondContact O-N 3.07Å; S626-E628 VanDerWaalsContact O-N 3.14Å
627	R	51.8	Low	75.8	Confident	253 Å²	253	69 Å²	69	96%	0.955	36%	0.356	S	S	*	.			trans	-64.3	-9.6	171.2	-66.2	-173.6	178.8	-172	0.3	114.7	D625	D625-R627 PolarHBondContact O-N 3.23Å
628	E	66.1	Low	76.2	Confident	121 Å²	121	64.2 Å²	64.2	57%	0.565	34%	0.34	S	S	*	.	S	Bend	trans	-79.2	126.4	178.1	-60.4	-170.7	154.9	0	0	112.3	R583 S626 G630	R583-E628 HydrophobicContact CG-CB 3.95Å; S626-E628 PolarHBondContact O-N 3.07Å; S626-E628 VanDerWaalsContact O-N 3.14Å; E628-G630 PolarHBondContact O-N 3.5Å
629	A	76.3	Confident	76.7	Confident	98 Å²	98	58.3 Å²	58.3	81%	0.81	32%	0.318	S	S	*	.			trans	-85.5	108.7	-179	0	0	0	0	0	112.2
630	G	87.4	Confident	77.3	Confident	6 Å²	6	56 Å²	56	6%	0.062	31%	0.309	C	S	.	.	S	Bend	trans	157.5	179.7	164.8	0	0	0	0	0	115	Y612 E628	Y612-G630 WeakPolarHBondContact OH-CA 3.24Å; E628-G630 PolarHBondContact O-N 3.5Å
631	M	92.3	Very high	78.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-82.5	120.5	-176.5	-171.7	175.6	-77.1	0	0	110.6	F572 L584 F589 Y612 I615 A635 F636 A639	F572-M631 WeakPolarHBondContact CE2-O 3.26Å; L584-M631 HydrophobicContact CB-CB 4.42Å; L584-M631 PolarHBondContact N-O 3.4Å; L584-M631 PolarHBondContact O-N 2.89Å; F589-M631 HydrophobicContact CD2-SD 4.47Å; F589-M631 HydrophobicContact CE2-SD 4.43Å; Y612-M631 HydrophobicContact CD2-CE 3.62Å; Y612-M631 HydrophobicContact CD2-SD 4.37Å; Y612-M631 HydrophobicContact CE2-CB 3.88Å; Y612-M631 HydrophobicContact CE2-CE 4.04Å; Y612-M631 HydrophobicContact CE2-SD 4.5Å; Y612-M631 HydrophobicContact CG-CE 4.22Å; I615-M631 HydrophobicContact CB-CE 3.95Å; I615-M631 HydrophobicContact CG2-CE 3.77Å; M631-A635 HydrophobicContact CG-CB 3.57Å; M631-F636 HydrophobicContact CG-CB 4.15Å; M631-F636 HydrophobicContact SD-CB 3.98Å; M631-F636 HydrophobicContact SD-CD2 4.25Å; M631-A639 HydrophobicContact CE-CB 4.26Å; M631-A639 HydrophobicContact SD-CB 4Å
632	G	92.9	Very high	80.2	Confident	12 Å²	12	48.6 Å²	48.6	12%	0.124	27%	0.271	C	S	.	.			trans	-76.8	172.8	170.2	0	0	0	0	0	111.8	Q634 A635 F636	G632-Q634 PolarHBondContact O-N 3.43Å; G632-A635 WeakPolarHBondContact O-CB 3.43Å; G632-A635 PolarHBondContact O-N 3.42Å; G632-F636 PolarHBondContact O-N 2.83Å
633	L	94.8	Very high	82	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-50.6	-175.9	173.8	63.4	0	0	0	112.5	P420 D421 V424 A569 F572 A635 F636 V637	P420-L633 VanDerWaalsContact C-CD2 3.46Å; P420-L633 HydrophobicContact CB-CD2 3.83Å; D421-L633 HydrophobicContact CB-CD2 4.32Å; D421-L633 WeakPolarHBondContact OD1-CB 3.07Å; V424-L633 HydrophobicContact CG2-CB 4.23Å; V424-L633 HydrophobicContact CG2-CD2 3.83Å; A569-L633 HydrophobicContact CB-CD1 3.99Å; A569-L633 HydrophobicContact CB-CD2 3.69Å; F572-L633 HydrophobicContact CB-CD1 3.7Å; F572-L633 HydrophobicContact CD1-CB 4.01Å; F572-L633 HydrophobicContact CD1-CD1 3.89Å; F572-L633 HydrophobicContact CD1-CG 4.49Å; F572-L633 HydrophobicContact CD2-CD1 4.31Å; F572-L633 HydrophobicContact CE1-CB 3.87Å; F572-L633 HydrophobicContact CG-CB 4.47Å; F572-L633 HydrophobicContact CG-CD1 3.73Å; F572-L633 HydrophobicContact CZ-CB 4.2Å; L633-A635 VanDerWaalsContact C-N 3.26Å; L633-A635 PolarHBondContact O-N 2.92Å; L633-F636 HydrophobicContact CD1-CD1 4.39Å; L633-F636 CarbonylContact O-C 3.47Å; L633-F636 WeakPolarHBondContact O-CA 3.49Å; L633-F636 WeakPolarHBondContact O-CB 3.46Å; L633-F636 PolarHBondContact O-N 2.81Å; L633-V637 HydrophobicContact CD1-CG2 4.01Å; L633-V637 HydrophobicContact CG-CG2 4.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.36Å; L633-V637 PolarHBondContact O-N 3.34Å
634	Q	93.7	Very high	83.8	Confident	27 Å²	27	45.4 Å²	45.4	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-51.9	-44	177.4	-69.3	-72	-46.5	0	0	112.8	D421 W619 G632 F636 V637 E638	D421-Q634 PolarHBondContact OD2-NE2 3.01Å; W619-Q634 HydrophobicContact CE3-CB 4.45Å; W619-Q634 HydrophobicContact CH2-CB 3.55Å; W619-Q634 HydrophobicContact CH2-CG 4.41Å; W619-Q634 HydrophobicContact CZ2-CB 4.08Å; W619-Q634 HydrophobicContact CZ3-CB 3.77Å; G632-Q634 PolarHBondContact O-N 3.43Å; Q634-F636 PolarHBondContact O-N 2.69Å; Q634-V637 PolarHBondContact O-N 2.81Å; Q634-E638 PolarHBondContact O-N 2.73Å
635	A	94.5	Very high	86.2	Confident	2 Å²	2	41.9 Å²	41.9	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-34.8	174.6	0	0	0	0	0	112.7	I615 W619 M631 G632 L633 E638 A639	I615-A635 HydrophobicContact CG2-CB 3.97Å; I615-A635 WeakPolarHBondContact CG2-O 3.49Å; W619-A635 HydrophobicContact CB-CB 3.99Å; W619-A635 HydrophobicContact CD2-CB 3.92Å; W619-A635 HydrophobicContact CG-CB 3.51Å; M631-A635 HydrophobicContact CG-CB 3.57Å; G632-A635 WeakPolarHBondContact O-CB 3.43Å; G632-A635 PolarHBondContact O-N 3.42Å; L633-A635 VanDerWaalsContact C-N 3.26Å; L633-A635 PolarHBondContact O-N 2.92Å; A635-E638 PolarHBondContact O-N 2.9Å; A635-A639 PolarHBondContact O-N 3.29Å
636	F	97	Very high	88.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71	-33.2	173	178.7	-98	0	0	0	112.8	I568 F572 L584 F589 F592 M631 G632 L633 Q634 A639 F640	I568-F636 HydrophobicContact CG2-CD1 3.86Å; I568-F636 HydrophobicContact CG2-CE1 3.75Å; F572-F636 HydrophobicContact CB-CD1 3.73Å; F572-F636 HydrophobicContact CB-CE1 3.85Å; F572-F636 HydrophobicContact CB-CG 4.4Å; F572-F636 HydrophobicContact CD2-CB 3.52Å; F572-F636 AromaticContact CD2-CD1 3.69Å; F572-F636 HydrophobicContact CD2-CD1 3.69Å; F572-F636 HydrophobicContact CD2-CD2 4.04Å; F572-F636 HydrophobicContact CD2-CE1 4.38Å; F572-F636 AromaticContact CD2-CG 3.48Å; F572-F636 HydrophobicContact CD2-CG 3.48Å; F572-F636 VanDerWaalsContact CD2-CG 3.48Å; F572-F636 HydrophobicContact CE2-CB 3.75Å; F572-F636 HydrophobicContact CE2-CG 4.18Å; F572-F636 HydrophobicContact CG-CD1 4.13Å; F572-F636 HydrophobicContact CG-CG 4.36Å; L584-F636 HydrophobicContact CD2-CD2 3.52Å; L584-F636 HydrophobicContact CD2-CE2 3.74Å; L584-F636 HydrophobicContact CD2-CG 4.45Å; F589-F636 HydrophobicContact CD2-CD2 4.03Å; F589-F636 AromaticContact CD2-CE2 3.95Å; F589-F636 HydrophobicContact CD2-CE2 3.95Å; F589-F636 HydrophobicContact CE2-CD2 4.03Å; F589-F636 AromaticContact CE2-CE2 3.98Å; F589-F636 HydrophobicContact CE2-CE2 3.98Å; F592-F636 AromaticContact CD1-CE2 3.74Å; F592-F636 HydrophobicContact CD1-CE2 3.74Å; F592-F636 HydrophobicContact CD1-CZ 4.05Å; F592-F636 HydrophobicContact CD2-CZ 4.48Å; F592-F636 AromaticContact CE1-CE2 3.75Å; F592-F636 HydrophobicContact CE1-CE2 3.75Å; F592-F636 AromaticContact CE1-CZ 3.81Å; F592-F636 HydrophobicContact CE1-CZ 3.81Å; F592-F636 HydrophobicContact CE2-CZ 4.27Å; F592-F636 HydrophobicContact CG-CE2 4.32Å; F592-F636 HydrophobicContact CG-CZ 4.38Å; F592-F636 HydrophobicContact CZ-CE2 4.35Å; F592-F636 AromaticContact CZ-CZ 3.93Å; F592-F636 HydrophobicContact CZ-CZ 3.93Å; M631-F636 HydrophobicContact CG-CB 4.15Å; M631-F636 HydrophobicContact SD-CB 3.98Å; M631-F636 HydrophobicContact SD-CD2 4.25Å; G632-F636 PolarHBondContact O-N 2.83Å; L633-F636 HydrophobicContact CD1-CD1 4.39Å; L633-F636 CarbonylContact O-C 3.47Å; L633-F636 WeakPolarHBondContact O-CA 3.49Å; L633-F636 WeakPolarHBondContact O-CB 3.46Å; L633-F636 PolarHBondContact O-N 2.81Å; Q634-F636 PolarHBondContact O-N 2.69Å; F636-A639 WeakPolarHBondContact O-CB 3.43Å; F636-A639 PolarHBondContact O-N 3.2Å; F636-F640 HydrophobicContact CE1-CD2 4.36Å; F636-F640 HydrophobicContact CZ-CD2 4.46Å; F636-F640 WeakPolarHBondContact O-CB 3.45Å; F636-F640 PolarHBondContact O-N 2.89Å
637	V	97.5	Very high	90.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-44.5	172.2	177.6	0	0	0	0	110	T221 V565 I568 L633 Q634 A639 F640 F641	T221-V637 HydrophobicContact CG2-CG1 3.76Å; V565-V637 HydrophobicContact CG1-CG1 4.47Å; V565-V637 HydrophobicContact CG1-CG2 3.97Å; I568-V637 HydrophobicContact CD1-CG1 4.3Å; I568-V637 HydrophobicContact CG2-CG2 3.95Å; L633-V637 HydrophobicContact CD1-CG2 4.01Å; L633-V637 HydrophobicContact CG-CG2 4.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.36Å; L633-V637 PolarHBondContact O-N 3.34Å; Q634-V637 PolarHBondContact O-N 2.81Å; V637-A639 VanDerWaalsContact C-N 3.3Å; V637-A639 PolarHBondContact O-N 3.08Å; V637-F640 WeakPolarHBondContact O-CA 3.09Å; V637-F640 WeakPolarHBondContact O-CB 3.44Å; V637-F640 PolarHBondContact O-N 3.06Å; V637-F640 VanDerWaalsContact O-N 3.09Å; V637-F641 HydrophobicContact CG1-CD1 4.07Å; V637-F641 HydrophobicContact CG1-CE1 3.5Å; V637-F641 HydrophobicContact CG1-CE2 4.21Å; V637-F641 HydrophobicContact CG1-CZ 3.58Å; V637-F641 WeakPolarHBondContact O-CD1 3.47Å; V637-F641 WeakPolarHBondContact O-CG 3.19Å; V637-F641 PolarHBondContact O-N 3.22Å
638	E	96.1	Very high	92.2	Very high	46 Å²	46	33.3 Å²	33.3	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-40.3	173.2	-160.3	-156.8	152	0	0	112	R618 W619 Q634 A635 F640 F641 N642	R618-E638 IonicContact CZ-OE1 3.61Å; R618-E638 IonicContact CZ-OE2 2.69Å; R618-E638 IonicContact NH1-OE1 3.81Å; R618-E638 PolarHBondContact NH1-OE1 3.3Å; R618-E638 IonicContact NH1-OE2 3.16Å; R618-E638 PolarHBondContact NH1-OE2 2.84Å; R618-E638 IonicContact NH2-OE1 2.73Å; R618-E638 PolarHBondContact NH2-OE1 3.03Å; R618-E638 IonicContact NH2-OE2 3.43Å; W619-E638 PolarHBondContact NE1-OE2 3.05Å; Q634-E638 PolarHBondContact O-N 2.73Å; A635-E638 PolarHBondContact O-N 2.9Å; E638-F640 VanDerWaalsContact C-N 3.34Å; E638-F641 PolarHBondContact O-N 3.03Å; E638-N642 WeakPolarHBondContact O-CB 3.39Å; E638-N642 PolarHBondContact O-N 2.92Å; E638-N642 PolarHBondContact O-ND2 2.97Å
639	A	97	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-39	173.8	0	0	0	0	0	111.9	F589 I615 M631 A635 F636 V637 N642 L643	F589-A639 HydrophobicContact CE2-CB 4.1Å; F589-A639 HydrophobicContact CZ-CB 4.12Å; I615-A639 VanDerWaalsContact CD1-CA 3.43Å; I615-A639 HydrophobicContact CD1-CB 3.58Å; M631-A639 HydrophobicContact CE-CB 4.26Å; M631-A639 HydrophobicContact SD-CB 4Å; A635-A639 PolarHBondContact O-N 3.29Å; F636-A639 WeakPolarHBondContact O-CB 3.43Å; F636-A639 PolarHBondContact O-N 3.2Å; V637-A639 VanDerWaalsContact C-N 3.3Å; V637-A639 PolarHBondContact O-N 3.08Å; A639-N642 PolarHBondContact O-N 3.28Å; A639-L643 WeakPolarHBondContact O-CB 3.34Å; A639-L643 WeakPolarHBondContact O-CD1 3.46Å; A639-L643 WeakPolarHBondContact O-CG 3.49Å; A639-L643 PolarHBondContact O-N 2.95Å
640	F	97.8	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-43.7	176.5	-160.6	-87.4	0	0	0	111.5	I568 L571 F592 F636 V637 E638 L643 A644 V657 L660 L661	I568-F640 HydrophobicContact CD1-CD1 3.72Å; I568-F640 HydrophobicContact CD1-CE1 4.16Å; I568-F640 HydrophobicContact CD1-CG 4.21Å; I568-F640 HydrophobicContact CG1-CD1 3.94Å; I568-F640 HydrophobicContact CG1-CE1 4.02Å; I568-F640 HydrophobicContact CG1-CG 4.26Å; I568-F640 HydrophobicContact CG1-CZ 4.41Å; I568-F640 HydrophobicContact CG2-CB 4.1Å; I568-F640 HydrophobicContact CG2-CD1 4.49Å; I568-F640 HydrophobicContact CG2-CD2 4.08Å; I568-F640 HydrophobicContact CG2-CG 3.98Å; L571-F640 HydrophobicContact CD1-CE2 3.71Å; L571-F640 HydrophobicContact CD1-CZ 4.15Å; F592-F640 HydrophobicContact CE2-CE2 4.47Å; F592-F640 AromaticContact CZ-CD2 3.95Å; F592-F640 HydrophobicContact CZ-CD2 3.95Å; F592-F640 AromaticContact CZ-CE2 3.96Å; F592-F640 HydrophobicContact CZ-CE2 3.96Å; F636-F640 HydrophobicContact CE1-CD2 4.36Å; F636-F640 HydrophobicContact CZ-CD2 4.46Å; F636-F640 WeakPolarHBondContact O-CB 3.45Å; F636-F640 PolarHBondContact O-N 2.89Å; V637-F640 WeakPolarHBondContact O-CA 3.09Å; V637-F640 WeakPolarHBondContact O-CB 3.44Å; V637-F640 PolarHBondContact O-N 3.06Å; V637-F640 VanDerWaalsContact O-N 3.09Å; E638-F640 VanDerWaalsContact C-N 3.34Å; F640-L643 PolarHBondContact O-N 2.85Å; F640-A644 WeakPolarHBondContact O-CB 3.44Å; F640-A644 PolarHBondContact O-N 2.93Å; F640-V657 HydrophobicContact CD1-CG1 4.35Å; F640-V657 HydrophobicContact CE1-CG1 4.18Å; F640-L660 HydrophobicContact CD1-CD2 3.83Å; F640-L660 HydrophobicContact CD1-CG 4.47Å; F640-L660 HydrophobicContact CD2-CD2 4.12Å; F640-L660 HydrophobicContact CE1-CB 3.82Å; F640-L660 HydrophobicContact CE1-CD2 3.64Å; F640-L660 HydrophobicContact CE1-CG 3.78Å; F640-L660 HydrophobicContact CE2-CD2 3.94Å; F640-L660 HydrophobicContact CE2-CG 4.04Å; F640-L660 HydrophobicContact CG-CD2 4.06Å; F640-L660 HydrophobicContact CZ-CB 3.92Å; F640-L660 HydrophobicContact CZ-CD2 3.7Å; F640-L660 HydrophobicContact CZ-CG 3.53Å; F640-L660 WeakPolarHBondContact O-CD2 3.32Å; F640-L661 HydrophobicContact CE1-CD2 4.16Å; F640-L661 HydrophobicContact CE1-CG 3.86Å; F640-L661 HydrophobicContact CE2-CD2 4.46Å; F640-L661 HydrophobicContact CZ-CB 4.45Å; F640-L661 HydrophobicContact CZ-CD2 3.72Å; F640-L661 HydrophobicContact CZ-CG 3.78Å
641	F	97.4	Very high	94.4	Very high	18 Å²	18	39.5 Å²	39.5	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-42.8	175	-69	8.2	0	0	0	111.1	T221 E224 L225 I568 V637 E638 L643 A644 G645 L653 V657	T221-F641 HydrophobicContact CG2-CE2 4.2Å; T221-F641 HydrophobicContact CG2-CZ 3.88Å; E224-F641 WeakPolarHBondContact OE2-CE2 3.35Å; L225-F641 HydrophobicContact CD1-CE1 4.2Å; L225-F641 HydrophobicContact CD1-CZ 3.75Å; L225-F641 HydrophobicContact CD2-CE1 4.09Å; L225-F641 HydrophobicContact CD2-CE2 4.38Å; L225-F641 HydrophobicContact CD2-CZ 3.8Å; L225-F641 HydrophobicContact CG-CE1 4.41Å; L225-F641 HydrophobicContact CG-CE2 4.38Å; L225-F641 HydrophobicContact CG-CZ 3.74Å; I568-F641 HydrophobicContact CD1-CE1 3.95Å; V637-F641 HydrophobicContact CG1-CD1 4.07Å; V637-F641 HydrophobicContact CG1-CE1 3.5Å; V637-F641 HydrophobicContact CG1-CE2 4.21Å; V637-F641 HydrophobicContact CG1-CZ 3.58Å; V637-F641 WeakPolarHBondContact O-CD1 3.47Å; V637-F641 WeakPolarHBondContact O-CG 3.19Å; V637-F641 PolarHBondContact O-N 3.22Å; E638-F641 PolarHBondContact O-N 3.03Å; F641-L643 VanDerWaalsContact C-N 3.35Å; F641-L643 PolarHBondContact O-N 3.42Å; F641-A644 WeakPolarHBondContact O-CB 3.42Å; F641-A644 PolarHBondContact O-N 3.34Å; F641-G645 PolarHBondContact O-N 3.45Å; F641-L653 HydrophobicContact CB-CD1 4.24Å; F641-L653 HydrophobicContact CD2-CD1 4.4Å; F641-L653 HydrophobicContact CD2-CD2 4.32Å; F641-L653 HydrophobicContact CG-CD1 4.28Å; F641-V657 HydrophobicContact CD1-CG2 3.48Å; F641-V657 VanDerWaalsContact CD1-CG2 3.48Å; F641-V657 HydrophobicContact CE1-CG1 4.28Å; F641-V657 HydrophobicContact CE1-CG2 3.78Å; F641-V657 HydrophobicContact CG-CG2 4.26Å
642	N	95.4	Very high	94.5	Very high	58 Å²	58	42.1 Å²	42.1	31%	0.31	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-40.7	174.1	-90.3	-94.9	0	0	0	112.8	L611 E638 A639 R646	L611-N642 HydrophobicContact CD1-CB 3.97Å; L611-N642 HydrophobicContact CD2-CB 4.36Å; E638-N642 WeakPolarHBondContact O-CB 3.39Å; E638-N642 PolarHBondContact O-N 2.92Å; E638-N642 PolarHBondContact O-ND2 2.97Å; A639-N642 PolarHBondContact O-N 3.28Å; N642-R646 WeakPolarHBondContact O-CB 3.43Å; N642-R646 WeakPolarHBondContact O-CG 3.46Å; N642-R646 PolarHBondContact O-N 3.17Å; N642-R646 VanDerWaalsContact O-N 3.12Å
643	L	95.8	Very high	94.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-41.1	175.2	-70.9	163.6	0	0	0	111.2	F589 F592 I593 L598 L603 L611 A639 F640 F641 R646 R647 L660	F589-L643 HydrophobicContact CE2-CD1 4.48Å; F589-L643 HydrophobicContact CZ-CD1 4.18Å; F592-L643 HydrophobicContact CE1-CD1 3.89Å; I593-L643 HydrophobicContact CD1-CD1 3.66Å; I593-L643 HydrophobicContact CD1-CD2 3.92Å; I593-L643 HydrophobicContact CD1-CG 4.48Å; L598-L643 HydrophobicContact CD1-CD1 4.47Å; L603-L643 HydrophobicContact CD1-CD2 4.26Å; L603-L643 HydrophobicContact CD2-CD2 3.51Å; L611-L643 HydrophobicContact CD2-CD2 4Å; L611-L643 HydrophobicContact CD2-CG 4.06Å; A639-L643 WeakPolarHBondContact O-CB 3.34Å; A639-L643 WeakPolarHBondContact O-CD1 3.46Å; A639-L643 WeakPolarHBondContact O-CG 3.49Å; A639-L643 PolarHBondContact O-N 2.95Å; F640-L643 PolarHBondContact O-N 2.85Å; F641-L643 VanDerWaalsContact C-N 3.35Å; F641-L643 PolarHBondContact O-N 3.42Å; L643-R646 PolarHBondContact O-N 3.11Å; L643-R647 VanDerWaalsContact O-CB 3.26Å; L643-R647 WeakPolarHBondContact O-CB 3.4Å; L643-R647 PolarHBondContact O-N 3.03Å; L643-L660 HydrophobicContact CB-CD2 3.72Å
644	A	95.7	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-52.4	179.9	0	0	0	0	0	111	F640 F641 R646 R647 F648 Q656 V657 L660	F640-A644 WeakPolarHBondContact O-CB 3.44Å; F640-A644 PolarHBondContact O-N 2.93Å; F641-A644 WeakPolarHBondContact O-CB 3.42Å; F641-A644 PolarHBondContact O-N 3.34Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 2.92Å; A644-R647 PolarHBondContact O-N 3.05Å; A644-F648 PolarHBondContact O-N 3Å; A644-Q656 HydrophobicContact CB-CB 3.85Å; A644-V657 HydrophobicContact CB-CG2 4.05Å; A644-L660 HydrophobicContact CB-CB 4.1Å; A644-L660 HydrophobicContact CB-CD2 3.85Å
645	G	94.2	Very high	94.9	Very high	23 Å²	23	52.7 Å²	52.7	24%	0.237	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-35.5	176.7	0	0	0	0	0	113.7	F641 R647 K649	F641-G645 PolarHBondContact O-N 3.45Å; G645-R647 VanDerWaalsContact C-N 3.32Å; G645-R647 PolarHBondContact O-N 3.02Å; G645-K649 WeakPolarHBondContact O-CG 3.43Å; G645-K649 PolarHBondContact O-N 2.68Å
646	R	91.8	Very high	95.1	Very high	112 Å²	112	53.9 Å²	53.9	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-31.5	172.5	-74.5	174.3	-172.8	-160.1	2.6	112.9	N642 L643 A644	N642-R646 WeakPolarHBondContact O-CB 3.43Å; N642-R646 WeakPolarHBondContact O-CG 3.46Å; N642-R646 PolarHBondContact O-N 3.17Å; N642-R646 VanDerWaalsContact O-N 3.12Å; L643-R646 PolarHBondContact O-N 3.11Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 2.92Å
647	R	90.4	Very high	95.1	Very high	119 Å²	119	53.9 Å²	53.9	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-91.5	-31.3	-173.1	-168.3	68.6	-176.7	85.3	-5.9	114.2	L643 A644 G645	L643-R647 VanDerWaalsContact O-CB 3.26Å; L643-R647 WeakPolarHBondContact O-CB 3.4Å; L643-R647 PolarHBondContact O-N 3.03Å; A644-R647 PolarHBondContact O-N 3.05Å; G645-R647 VanDerWaalsContact C-N 3.32Å; G645-R647 PolarHBondContact O-N 3.02Å
648	F	92.6	Very high	95.1	Very high	44 Å²	44	55.8 Å²	55.8	19%	0.193	28%	0.279	C	S	.	.			trans	-130.4	38.4	-169.6	-59.4	-74.8	0	0	0	113	A644 S650 L651 Q656 L660 L663	A644-F648 PolarHBondContact O-N 3Å; F648-S650 PolarHBondContact O-N 3.26Å; F648-L651 HydrophobicContact CB-CD1 4.16Å; F648-L651 HydrophobicContact CB-CG 4.48Å; F648-L651 PolarHBondContact O-N 3.11Å; F648-Q656 HydrophobicContact CB-CB 4.14Å; F648-Q656 HydrophobicContact CB-CG 4.02Å; F648-Q656 WeakPolarHBondContact O-CG 3.47Å; F648-L660 HydrophobicContact CD2-CB 4.47Å; F648-L660 HydrophobicContact CE2-CB 3.96Å; F648-L660 HydrophobicContact CE2-CD1 4.31Å; F648-L663 HydrophobicContact CZ-CD2 4.32Å
649	K	89.3	Confident	95.2	Very high	172 Å²	172	55.3 Å²	55.3	75%	0.748	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.6	-25.1	-171.5	-69.5	-178.3	177	-172.1	0	117.9	G645	G645-K649 WeakPolarHBondContact O-CG 3.43Å; G645-K649 PolarHBondContact O-N 2.68Å
650	S	91.2	Very high	95.1	Very high	116 Å²	116	55.3 Å²	55.3	81%	0.811	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-5	-176.3	56.2	0	0	0	0	114.9	F648	F648-S650 PolarHBondContact O-N 3.26Å
651	L	94.5	Very high	95.1	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.346	28%	0.281	S	S	.	.	S	Bend	trans	-103.9	162.5	-178.8	-52.1	-177.8	0	0	0	111.2	F648 E655 Q656	F648-L651 HydrophobicContact CB-CD1 4.16Å; F648-L651 HydrophobicContact CB-CG 4.48Å; F648-L651 PolarHBondContact O-N 3.11Å; L651-E655 HydrophobicContact CB-CB 3.84Å; L651-E655 HydrophobicContact CD1-CB 4.24Å; L651-Q656 HydrophobicContact CB-CG 3.97Å; L651-Q656 WeakPolarHBondContact O-CG 3.43Å; L651-Q656 PolarHBondContact O-NE2 2.87Å
652	A	95.6	Very high	95	Very high	56 Å²	56	58 Å²	58	46%	0.463	30%	0.296	S	S	.	.			trans	-70.9	154.6	170.8	0	0	0	0	0	111.5	R654 E655 Q656	A652-R654 VanDerWaalsContact C-N 3.29Å; A652-R654 PolarHBondContact O-N 3.42Å; A652-R654 VanDerWaalsContact O-N 3.11Å; A652-E655 WeakPolarHBondContact CB-OE2 3.2Å; A652-E655 PolarHBondContact N-OE2 3.34Å; A652-E655 WeakPolarHBondContact O-CA 3.41Å; A652-E655 WeakPolarHBondContact O-CB 3.46Å; A652-E655 PolarHBondContact O-N 3.06Å; A652-Q656 WeakPolarHBondContact O-CG 3.49Å; A652-Q656 PolarHBondContact O-N 3.35Å
653	L	96.1	Very high	95	Very high	57 Å²	57	57.2 Å²	57.2	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-49.8	-45	-172.2	178	60.5	0	0	0	113.7	E224 L225 F641 E655 Q656 V657	E224-L653 HydrophobicContact CB-CD2 4.28Å; L225-L653 HydrophobicContact CD2-CG 4.25Å; F641-L653 HydrophobicContact CB-CD1 4.24Å; F641-L653 HydrophobicContact CD2-CD1 4.4Å; F641-L653 HydrophobicContact CD2-CD2 4.32Å; F641-L653 HydrophobicContact CG-CD1 4.28Å; L653-E655 VanDerWaalsContact C-N 3.34Å; L653-E655 PolarHBondContact O-N 3.46Å; L653-Q656 WeakPolarHBondContact O-CB 3.45Å; L653-Q656 PolarHBondContact O-N 3.24Å; L653-V657 HydrophobicContact CD1-CG2 4.2Å; L653-V657 WeakPolarHBondContact O-CB 3.32Å; L653-V657 WeakPolarHBondContact O-CG2 3.47Å; L653-V657 PolarHBondContact O-N 3.44Å
654	R	96.3	Very high	95	Very high	117 Å²	117	57 Å²	57	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-56.5	-44.7	175.5	178.5	-178.6	165.7	-135.4	0	112.6	F226 L564 A652 V657 V658	F226-R654 HydrophobicContact CE1-CG 4.37Å; L564-R654 HydrophobicContact CD1-CG 4.26Å; A652-R654 VanDerWaalsContact C-N 3.29Å; A652-R654 PolarHBondContact O-N 3.42Å; A652-R654 VanDerWaalsContact O-N 3.11Å; R654-V657 PolarHBondContact O-N 3.33Å; R654-V658 WeakPolarHBondContact O-CG2 3.25Å; R654-V658 PolarHBondContact O-N 2.94Å
655	E	97.4	Very high	95	Very high	94 Å²	94	59.9 Å²	59.9	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-73.6	-36.4	-178.1	-61.3	161.7	167.5	0	0	111.7	L651 A652 L653 V657 S659	L651-E655 HydrophobicContact CB-CB 3.84Å; L651-E655 HydrophobicContact CD1-CB 4.24Å; A652-E655 WeakPolarHBondContact CB-OE2 3.2Å; A652-E655 PolarHBondContact N-OE2 3.34Å; A652-E655 WeakPolarHBondContact O-CA 3.41Å; A652-E655 WeakPolarHBondContact O-CB 3.46Å; A652-E655 PolarHBondContact O-N 3.06Å; L653-E655 VanDerWaalsContact C-N 3.34Å; L653-E655 PolarHBondContact O-N 3.46Å; E655-V657 VanDerWaalsContact C-N 3.31Å; E655-V657 PolarHBondContact O-N 3.5Å; E655-S659 VanDerWaalsContact O-CB 3.28Å; E655-S659 WeakPolarHBondContact O-CB 3.4Å; E655-S659 PolarHBondContact O-N 3.06Å; E655-S659 PolarHBondContact O-OG 3.28Å
656	Q	97.3	Very high	95	Very high	26 Å²	26	62.5 Å²	62.5	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-45.8	170.1	-59.8	171.5	2.5	0	0	110.4	A644 F648 L651 A652 L653 S659 L660	A644-Q656 HydrophobicContact CB-CB 3.85Å; F648-Q656 HydrophobicContact CB-CB 4.14Å; F648-Q656 HydrophobicContact CB-CG 4.02Å; F648-Q656 WeakPolarHBondContact O-CG 3.47Å; L651-Q656 HydrophobicContact CB-CG 3.97Å; L651-Q656 WeakPolarHBondContact O-CG 3.43Å; L651-Q656 PolarHBondContact O-NE2 2.87Å; A652-Q656 WeakPolarHBondContact O-CG 3.49Å; A652-Q656 PolarHBondContact O-N 3.35Å; L653-Q656 WeakPolarHBondContact O-CB 3.45Å; L653-Q656 PolarHBondContact O-N 3.24Å; Q656-S659 PolarHBondContact O-N 3.43Å; Q656-L660 WeakPolarHBondContact O-CB 3.21Å; Q656-L660 PolarHBondContact O-N 3.18Å
657	V	97.6	Very high	95	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.7	-41.3	-178.5	167.9	0	0	0	0	111.8	L225 I568 F640 F641 A644 L653 R654 E655 L660 L661	L225-V657 HydrophobicContact CD2-CB 4.31Å; L225-V657 HydrophobicContact CD2-CG1 4.43Å; L225-V657 HydrophobicContact CD2-CG2 4.15Å; I568-V657 HydrophobicContact CD1-CG1 3.95Å; F640-V657 HydrophobicContact CD1-CG1 4.35Å; F640-V657 HydrophobicContact CE1-CG1 4.18Å; F641-V657 HydrophobicContact CD1-CG2 3.48Å; F641-V657 VanDerWaalsContact CD1-CG2 3.48Å; F641-V657 HydrophobicContact CE1-CG1 4.28Å; F641-V657 HydrophobicContact CE1-CG2 3.78Å; F641-V657 HydrophobicContact CG-CG2 4.26Å; A644-V657 HydrophobicContact CB-CG2 4.05Å; L653-V657 HydrophobicContact CD1-CG2 4.2Å; L653-V657 WeakPolarHBondContact O-CB 3.32Å; L653-V657 WeakPolarHBondContact O-CG2 3.47Å; L653-V657 PolarHBondContact O-N 3.44Å; R654-V657 PolarHBondContact O-N 3.33Å; E655-V657 VanDerWaalsContact C-N 3.31Å; E655-V657 PolarHBondContact O-N 3.5Å; V657-L660 PolarHBondContact O-N 3.33Å; V657-L661 HydrophobicContact CG1-CD1 4.23Å; V657-L661 WeakPolarHBondContact O-CB 3.49Å; V657-L661 WeakPolarHBondContact O-CG 3.4Å; V657-L661 PolarHBondContact O-N 3.41Å
658	V	97.6	Very high	95	Very high	43 Å²	43	56 Å²	56	26%	0.261	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-51	170.7	170.2	0	0	0	0	110.5	L564 R654 L660 L661 D662	L564-V658 HydrophobicContact CD1-CG2 3.63Å; L564-V658 HydrophobicContact CD2-CG2 3.87Å; L564-V658 HydrophobicContact CG-CG2 4.44Å; R654-V658 WeakPolarHBondContact O-CG2 3.25Å; R654-V658 PolarHBondContact O-N 2.94Å; V658-L660 VanDerWaalsContact C-N 3.26Å; V658-L660 PolarHBondContact O-N 3.02Å; V658-L661 WeakPolarHBondContact O-CB 3.39Å; V658-L661 PolarHBondContact O-N 2.96Å; V658-L661 VanDerWaalsContact O-N 3.1Å; V658-D662 WeakPolarHBondContact CG1-OD2 3.4Å; V658-D662 VanDerWaalsContact O-CG 3.24Å; V658-D662 PolarHBondContact O-N 3.48Å
659	S	97.3	Very high	94.2	Very high	35 Å²	35	55.5 Å²	55.5	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-35.6	-179.8	-57.2	0	0	0	0	112.7	E655 Q656 L663	E655-S659 VanDerWaalsContact O-CB 3.28Å; E655-S659 WeakPolarHBondContact O-CB 3.4Å; E655-S659 PolarHBondContact O-N 3.06Å; E655-S659 PolarHBondContact O-OG 3.28Å; Q656-S659 PolarHBondContact O-N 3.43Å; S659-L663 VanDerWaalsContact O-CB 3.27Å; S659-L663 WeakPolarHBondContact O-CB 3.32Å; S659-L663 PolarHBondContact O-N 3.5Å; S659-L663 VanDerWaalsContact O-N 3.17Å
660	L	96.8	Very high	93	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-74.8	-38.1	175.6	-173.1	62.3	0	0	0	112.7	L598 F640 L643 A644 F648 Q656 V657 V658 L663 C664	L598-L660 HydrophobicContact CD1-CD1 4.01Å; L598-L660 HydrophobicContact CD2-CD1 3.43Å; L598-L660 VanDerWaalsContact CD2-CD1 3.43Å; L598-L660 HydrophobicContact CG-CD1 4.37Å; F640-L660 HydrophobicContact CD1-CD2 3.83Å; F640-L660 HydrophobicContact CD1-CG 4.47Å; F640-L660 HydrophobicContact CD2-CD2 4.12Å; F640-L660 HydrophobicContact CE1-CB 3.82Å; F640-L660 HydrophobicContact CE1-CD2 3.64Å; F640-L660 HydrophobicContact CE1-CG 3.78Å; F640-L660 HydrophobicContact CE2-CD2 3.94Å; F640-L660 HydrophobicContact CE2-CG 4.04Å; F640-L660 HydrophobicContact CG-CD2 4.06Å; F640-L660 HydrophobicContact CZ-CB 3.92Å; F640-L660 HydrophobicContact CZ-CD2 3.7Å; F640-L660 HydrophobicContact CZ-CG 3.53Å; F640-L660 WeakPolarHBondContact O-CD2 3.32Å; L643-L660 HydrophobicContact CB-CD2 3.72Å; A644-L660 HydrophobicContact CB-CB 4.1Å; A644-L660 HydrophobicContact CB-CD2 3.85Å; F648-L660 HydrophobicContact CD2-CB 4.47Å; F648-L660 HydrophobicContact CE2-CB 3.96Å; F648-L660 HydrophobicContact CE2-CD1 4.31Å; Q656-L660 WeakPolarHBondContact O-CB 3.21Å; Q656-L660 PolarHBondContact O-N 3.18Å; V657-L660 PolarHBondContact O-N 3.33Å; V658-L660 VanDerWaalsContact C-N 3.26Å; V658-L660 PolarHBondContact O-N 3.02Å; L660-L663 HydrophobicContact CD1-CD2 4.44Å; L660-C664 WeakPolarHBondContact O-CB 3.36Å; L660-C664 PolarHBondContact O-N 3.31Å; L660-C664 PolarHBondContact O-SG 2.86Å
661	L	96.9	Very high	91.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-52	173.9	-82.3	170.7	0	0	0	111	L564 R567 I568 L571 F640 V657 V658 L663 C664 E665	L564-L661 HydrophobicContact CB-CD1 4.2Å; L564-L661 HydrophobicContact CD2-CD1 4.05Å; R567-L661 HydrophobicContact CB-CD1 3.92Å; R567-L661 HydrophobicContact CB-CD2 3.67Å; R567-L661 HydrophobicContact CB-CG 4.41Å; I568-L661 HydrophobicContact CG1-CD1 4.24Å; I568-L661 HydrophobicContact CG1-CD2 3.78Å; I568-L661 HydrophobicContact CG1-CG 4.23Å; L571-L661 HydrophobicContact CD1-CD2 3.79Å; F640-L661 HydrophobicContact CE1-CD2 4.16Å; F640-L661 HydrophobicContact CE1-CG 3.86Å; F640-L661 HydrophobicContact CE2-CD2 4.46Å; F640-L661 HydrophobicContact CZ-CB 4.45Å; F640-L661 HydrophobicContact CZ-CD2 3.72Å; F640-L661 HydrophobicContact CZ-CG 3.78Å; V657-L661 HydrophobicContact CG1-CD1 4.23Å; V657-L661 WeakPolarHBondContact O-CB 3.49Å; V657-L661 WeakPolarHBondContact O-CG 3.4Å; V657-L661 PolarHBondContact O-N 3.41Å; V658-L661 WeakPolarHBondContact O-CB 3.39Å; V658-L661 PolarHBondContact O-N 2.96Å; V658-L661 VanDerWaalsContact O-N 3.1Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 3.24Å; L661-C664 WeakPolarHBondContact O-CB 3.48Å; L661-C664 PolarHBondContact O-N 3.19Å; L661-C664 VanDerWaalsContact O-N 3.12Å; L661-E665 WeakPolarHBondContact O-CG 3.24Å; L661-E665 PolarHBondContact O-N 2.9Å
662	D	96.1	Very high	88.5	Confident	75 Å²	75	55.2 Å²	55.2	40%	0.401	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-39.5	-177.5	-60	-13.5	0	0	0	110.8	R567 V658 S666	R567-D662 IonicContact CZ-OD1 3.18Å; R567-D662 VanDerWaalsContact CZ-OD1 3.31Å; R567-D662 IonicContact NH1-OD1 2.74Å; R567-D662 PolarHBondContact NH1-OD1 3.34Å; R567-D662 IonicContact NH2-OD1 3.16Å; R567-D662 PolarHBondContact NH2-OD1 3.17Å; V658-D662 WeakPolarHBondContact CG1-OD2 3.4Å; V658-D662 VanDerWaalsContact O-CG 3.24Å; V658-D662 PolarHBondContact O-N 3.48Å; D662-S666 VanDerWaalsContact O-CB 3.3Å; D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.26Å
663	L	95.2	Very high	85.7	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-48.4	171.3	177	61.5	0	0	0	112.1	L598 F648 S659 L660 L661 S666 H667	L598-L663 HydrophobicContact CD2-CD2 3.75Å; L598-L663 HydrophobicContact CD2-CG 4.31Å; F648-L663 HydrophobicContact CZ-CD2 4.32Å; S659-L663 VanDerWaalsContact O-CB 3.27Å; S659-L663 WeakPolarHBondContact O-CB 3.32Å; S659-L663 PolarHBondContact O-N 3.5Å; S659-L663 VanDerWaalsContact O-N 3.17Å; L660-L663 HydrophobicContact CD1-CD2 4.44Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 3.24Å; L663-S666 PolarHBondContact O-N 3.25Å; L663-S666 PolarHBondContact O-OG 3.31Å; L663-H667 PolarHBondContact O-N 2.98Å
664	C	96.3	Very high	82.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-49.1	178.7	-71	0	0	0	0	111.7	L571 C596 L660 L661 S666 H667 L668	L571-C664 HydrophobicContact CD1-CB 3.79Å; L571-C664 HydrophobicContact CD2-CB 4.37Å; C596-C664 HydrophobicContact CB-CB 4.17Å; L660-C664 WeakPolarHBondContact O-CB 3.36Å; L660-C664 PolarHBondContact O-N 3.31Å; L660-C664 PolarHBondContact O-SG 2.86Å; L661-C664 WeakPolarHBondContact O-CB 3.48Å; L661-C664 PolarHBondContact O-N 3.19Å; L661-C664 VanDerWaalsContact O-N 3.12Å; C664-S666 VanDerWaalsContact C-N 3.35Å; C664-S666 PolarHBondContact O-N 3.13Å; C664-H667 PolarHBondContact O-N 3.14Å; C664-L668 WeakPolarHBondContact O-CB 3.43Å; C664-L668 WeakPolarHBondContact O-CD1 3.29Å; C664-L668 WeakPolarHBondContact O-CG 3.24Å; C664-L668 PolarHBondContact O-N 3.14Å; C664-L668 VanDerWaalsContact O-N 3.13Å
665	E	94.6	Very high	80.2	Confident	60 Å²	60	59 Å²	59	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-38.8	-179.5	-70.9	176.4	-162.9	0	0	111.7	R567 L661 H667 L668 G669	R567-E665 IonicContact CZ-OE1 2.68Å; R567-E665 IonicContact CZ-OE2 2.8Å; R567-E665 IonicContact NE-OE1 3.6Å; R567-E665 PolarHBondContact NE-OE1 2.95Å; R567-E665 IonicContact NE-OE2 3.97Å; R567-E665 IonicContact NH2-OE1 2.77Å; R567-E665 PolarHBondContact NH2-OE1 2.87Å; R567-E665 VanDerWaalsContact NH2-OE1 3.15Å; R567-E665 IonicContact NH2-OE2 3.55Å; R567-E665 PolarHBondContact NH2-OE2 2.73Å; L661-E665 WeakPolarHBondContact O-CG 3.24Å; L661-E665 PolarHBondContact O-N 2.9Å; E665-H667 VanDerWaalsContact C-N 3.27Å; E665-H667 PolarHBondContact O-N 3.13Å; E665-L668 PolarHBondContact O-N 3.04Å; E665-L668 VanDerWaalsContact O-N 3.08Å; E665-G669 PolarHBondContact O-N 3.28Å; E665-G669 VanDerWaalsContact O-N 3.08Å
666	S	94.6	Very high	77.2	Confident	79 Å²	79	61.6 Å²	61.6	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-58.9	-34.5	175.7	80.1	0	0	0	0	113.7	D662 L663 C664	D662-S666 VanDerWaalsContact O-CB 3.3Å; D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.26Å; L663-S666 PolarHBondContact O-N 3.25Å; L663-S666 PolarHBondContact O-OG 3.31Å; C664-S666 VanDerWaalsContact C-N 3.35Å; C664-S666 PolarHBondContact O-N 3.13Å
667	H	92.6	Very high	74.1	Confident	76 Å²	76	71.6 Å²	71.6	35%	0.352	41%	0.413	S	S	.	.	H	α-helix	trans	-87.2	-14.4	178.3	-70.8	-16.8	0	0	0	113.6	C596 L663 C664 E665	C596-H667 PolarHBondContact O-CD2 2.81Å; L663-H667 PolarHBondContact O-N 2.98Å; C664-H667 PolarHBondContact O-N 3.14Å; E665-H667 VanDerWaalsContact C-N 3.27Å; E665-H667 PolarHBondContact O-N 3.13Å
668	L	89.8	Confident	71.1	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.094	46%	0.457	C	S	.	.	H	α-helix	trans	-94.6	-12.2	178.5	-72.2	171	0	0	0	113.6	L571 R574 F575 T595 C664 E665	L571-L668 HydrophobicContact CD2-CD1 3.31Å; R574-L668 PolarHBondContact NH1-O 3.44Å; R574-L668 PolarHBondContact NH2-O 2.97Å; F575-L668 HydrophobicContact CE2-CD1 4.21Å; F575-L668 HydrophobicContact CE2-CD2 4.18Å; F575-L668 HydrophobicContact CZ-CD2 3.8Å; T595-L668 HydrophobicContact CG2-CD2 3.53Å; C664-L668 WeakPolarHBondContact O-CB 3.43Å; C664-L668 WeakPolarHBondContact O-CD1 3.29Å; C664-L668 WeakPolarHBondContact O-CG 3.24Å; C664-L668 PolarHBondContact O-N 3.14Å; C664-L668 VanDerWaalsContact O-N 3.13Å; E665-L668 PolarHBondContact O-N 3.04Å; E665-L668 VanDerWaalsContact O-N 3.08Å
669	G	75.6	Confident	68.1	Low	33 Å²	33	86.4 Å²	86.4	34%	0.34	48%	0.481	S	S	.	.			trans	70.6	169.5	-174.1	0	0	0	0	0	112.6	E665 Q671	E665-G669 PolarHBondContact O-N 3.28Å; E665-G669 VanDerWaalsContact O-N 3.08Å; G669-Q671 PolarHBondContact O-N 2.7Å
670	P	63.1	Low	65.1	Low	129 Å²	129	93.2 Å²	93.2	84%	0.838	51%	0.513	S	S	*	.			trans	-52.8	134.6	175.9	-24.7	33.9	0	0	0	111.1	S672	P670-S672 VanDerWaalsContact C-N 3.33Å; P670-S672 PolarHBondContact O-N 3.27Å
671	Q	53.2	Low	61.9	Low	128 Å²	128	99.1 Å²	99.1	60%	0.598	56%	0.555	S	S	*	*			trans	-67.6	98.9	162.8	-66.7	-165.1	31.8	0	0	107.6	G669 G673	G669-Q671 PolarHBondContact O-N 2.7Å; Q671-G673 PolarHBondContact O-N 2.92Å; Q671-G673 VanDerWaalsContact O-N 3.1Å
672	S	38.5	Very low	58.7	Low	91 Å²	91	105.1 Å²	105.1	64%	0.636	60%	0.595	S	S	*	*			trans	-60	113.5	170.7	51.2	0	0	0	0	108.5	P670 A674	P670-S672 VanDerWaalsContact C-N 3.33Å; P670-S672 PolarHBondContact O-N 3.27Å; S672-A674 PolarHBondContact O-N 3.08Å
673	G	38.2	Very low	55.7	Low	92 Å²	92	107.4 Å²	107.4	95%	0.948	62%	0.617	S	S	*	*	S	Bend	trans	-69.9	39.5	177.1	0	0	0	0	0	114.1	Q671	Q671-G673 PolarHBondContact O-N 2.92Å; Q671-G673 VanDerWaalsContact O-N 3.1Å
674	A	33.8	Very low	52.5	Low	57 Å²	57	117.2 Å²	117.2	47%	0.471	65%	0.651	S	S	.	*			trans	-157.6	93.1	-178.2	0	0	0	0	0	108.5	S672 D676	S672-A674 PolarHBondContact O-N 3.08Å; A674-D676 PolarHBondContact O-N 2.96Å
675	E	42.6	Very low	49.3	Very low	160 Å²	160	121.9 Å²	121.9	75%	0.748	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-72.8	-6.5	174.1	-65.9	-162.6	112.2	0	0	112.7	R677	E675-R677 PolarHBondContact O-N 3.36Å
676	D	34.8	Very low	46.3	Very low	150 Å²	150	127 Å²	127	80%	0.802	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-66.1	-3.4	-174.5	-72	-42	0	0	0	116.5	A674	A674-D676 PolarHBondContact O-N 2.96Å
677	R	31.8	Very low	43.2	Very low	235 Å²	235	129.2 Å²	129.2	89%	0.887	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-123.7	30.6	-173.2	-82.4	-167.2	171.7	-166.5	-0.4	116.8	E675	E675-R677 PolarHBondContact O-N 3.36Å
678	R	33.5	Very low	40.2	Very low	247 Å²	247	138 Å²	138	93%	0.932	76%	0.761	S	S	*	*	S	Bend	trans	-128.8	36.9	163.7	-72.4	-166.8	174.5	179.6	0.4	115
679	S	34.3	Very low	37.2	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	80%	0.797	S	S	*	*			trans	-119.1	23.7	-178.1	-57.8	0	0	0	0	115.1
680	L	34.1	Very low	34.8	Very low	178 Å²	178	143.2 Å²	143.2	93%	0.932	82%	0.819	S	S	*	*			trans	-139.9	71.3	178	-88.4	175.1	0	0	0	112.7
681	S	30.2	Very low	33.1	Very low	125 Å²	125	148.6 Å²	148.6	87%	0.874	82%	0.823	S	S	*	*	S	Bend	trans	-156.6	40.3	170.6	-170.9	0	0	0	0	114.5
682	C	30.9	Very low	31.9	Very low	126 Å²	126	148.5 Å²	148.5	85%	0.851	83%	0.831	S	S	*	*	S	Bend	trans	-155.6	59.4	168.7	-150.1	0	0	0	0	113.7
683	S	32.2	Very low	32	Very low	123 Å²	123	149.7 Å²	149.7	86%	0.86	84%	0.837	S	S	*	*			trans	-171.5	93.8	163.9	-88.5	0	0	0	0	112.5
684	R	28.6	Very low	31.6	Very low	247 Å²	247	149.6 Å²	149.6	93%	0.932	83%	0.827	S	S	*	*			trans	-165.5	113	148.4	-114.9	171.8	-175.1	176	1.9	110.5
685	A	29.4	Very low	31.3	Very low	98 Å²	98	153.7 Å²	153.7	81%	0.81	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-71.5	142.2	164.1	0	0	0	0	0	109.5
686	L	29.9	Very low	30.5	Very low	169 Å²	169	156.7 Å²	156.7	89%	0.885	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-89.6	127.5	176	-77.5	163.9	0	0	0	110.3
687	P	30.8	Very low	30.2	Very low	124 Å²	124	156.9 Å²	156.9	81%	0.805	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.6	166.2	169.1	31.9	-34	0	0	0	111.6
688	R	30.2	Very low	30.5	Very low	261 Å²	261	150.5 Å²	150.5	99%	0.985	84%	0.835	S	S	*	*			trans	-107.7	136.5	-168.6	-135.5	-178.2	-177	-173.5	1.1	111.8
689	G	26.5	Very low	30.2	Very low	83 Å²	83	150.2 Å²	150.2	86%	0.856	83%	0.834	S	S	*	*			trans	148.3	141.4	171.2	0	0	0	0	0	111.3
690	G	25.3	Very low	30.6	Very low	78 Å²	78	151 Å²	151	80%	0.804	84%	0.837	S	S	*	*			cis	-149.7	-168.5	-2.8	0	0	0	0	0	111.8
691	R	26.7	Very low	30.4	Very low	241 Å²	241	153.4 Å²	153.4	91%	0.909	83%	0.834	S	S	*	*			trans	-81.8	174.1	174.7	-63.6	176.5	168.1	169	-5.7	110.1
692	T	27.7	Very low	30.7	Very low	126 Å²	126	153 Å²	153	77%	0.773	83%	0.828	S	S	*	*			cis	-156	-159.2	30.7	-24.6	0	0	0	0	110.9
693	P	41.5	Very low	30.6	Very low	117 Å²	117	154.7 Å²	154.7	76%	0.76	83%	0.827	S	S	*	*			trans	-133.1	170.6	-130.1	44.1	-24.1	0	0	0	119.4
694	A	28.2	Very low	30.6	Very low	89 Å²	89	153.8 Å²	153.8	74%	0.736	82%	0.821	S	S	*	*			trans	-163.1	113.8	149.5	0	0	0	0	0	108.8
695	L	27.2	Very low	31.4	Very low	144 Å²	144	148.5 Å²	148.5	75%	0.754	82%	0.818	S	S	*	*				73.6	106.3	88.5	-73.3	171.6	0	0	0	115.9
696	Y	26	Very low	31.5	Very low	222 Å²	222	148.5 Å²	148.5	87%	0.871	82%	0.818	S	S	*	*				-174.1	-178.8	109.8	-100.5	-71.2	0	0	0	111.5
697	L	30.1	Very low	31.6	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	81%	0.814	S	S	*	*			trans	-117.1	-178.4	-151.2	-116.2	76.5	0	0	0	115
698	P	37.7	Very low	31.7	Very low	102 Å²	102	146.2 Å²	146.2	66%	0.662	81%	0.809	S	S	*	*				-138.4	-178.8	-127.8	44.2	-24.4	0	0	0	119.3
699	R	27.2	Very low	31.8	Very low	241 Å²	241	144 Å²	144	91%	0.909	80%	0.8	S	S	*	*			trans	72.6	170.1	155.8	-86.2	-176.1	179.7	-167	1.6	117
700	P	41.8	Very low	32	Very low	123 Å²	123	150.7 Å²	150.7	80%	0.799	80%	0.8	S	S	*	*			cis	-126.3	-169.6	9.2	42.6	-26.9	0	0	0	117.1
701	R	30.1	Very low	32.3	Very low	229 Å²	229	151 Å²	151	86%	0.864	80%	0.795	S	S	*	*			trans	-119.1	154.4	170.2	-71	179.4	173.8	176.4	-4	110.8
702	P	35.6	Very low	32.5	Very low	116 Å²	116	146.4 Å²	146.4	75%	0.753	79%	0.794	S	S	*	*			trans	-98.6	142.9	137	14.9	3.8	0	0	0	109.9
703	I	28.9	Very low	32.7	Very low	161 Å²	161	145.5 Å²	145.5	83%	0.826	79%	0.792	S	S	*	*			cis	89.7	122.7	45.2	-65.4	168.4	0	0	0	112.4
704	S	32.3	Very low	32.2	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	79%	0.792	S	S	*	*			trans	-94.5	178	179.7	-45.1	0	0	0	0	112.3
705	P	47	Very low	32.4	Very low	135 Å²	135	149 Å²	149	88%	0.877	79%	0.787	S	S	*	*				-139.3	-174.7	105.9	37.4	-24.3	0	0	0	114.1
706	A	30.7	Very low	32.5	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	79%	0.789	S	S	*	*			trans	-148.7	158.5	-172.4	0	0	0	0	0	114.4
707	A	32.1	Very low	32.8	Very low	97 Å²	97	147.8 Å²	147.8	80%	0.802	79%	0.788	S	S	*	*			trans	-167.2	150.4	174.9	0	0	0	0	0	110.3
708	H	32.2	Very low	33.2	Very low	148 Å²	148	146.4 Å²	146.4	69%	0.685	79%	0.788	S	S	*	*			cis	-169.6	134.3	-24.9	-134.4	32.4	0	0	0	111.7
709	R	32.7	Very low	33	Very low	213 Å²	213	149.6 Å²	149.6	80%	0.804	79%	0.794	S	S	*	*			trans	63.8	158.2	153.6	-66.7	175.3	179	-171.1	-3.7	118.1
710	R	30.3	Very low	33.1	Very low	224 Å²	224	147.6 Å²	147.6	85%	0.845	80%	0.795	S	S	*	*			cis	-133.8	144.6	2	-104.2	160	-178.2	165.4	-0.8	107.3
711	A	31.6	Very low	32.8	Very low	86 Å²	86	153.2 Å²	153.2	71%	0.711	80%	0.8	S	S	*	*				56.1	136.6	77	0	0	0	0	0	114.8
712	T	31.8	Very low	33.1	Very low	144 Å²	144	148.4 Å²	148.4	88%	0.883	80%	0.798	S	S	*	*			cis	-167.6	173.4	-5	16	0	0	0	0	106.8
713	S	30.9	Very low	32.9	Very low	106 Å²	106	152.4 Å²	152.4	74%	0.741	80%	0.804	S	S	*	*			cis	-127.1	-153.4	10.3	47.6	0	0	0	0	110.1
714	Q	32.8	Very low	33.5	Very low	159 Å²	159	150.6 Å²	150.6	74%	0.743	80%	0.803	S	S	*	*			cis	69.9	147.4	17.4	-86.3	174.1	-104.3	0	0	117.4
715	D	31.3	Very low	33.4	Very low	121 Å²	121	157.7 Å²	157.7	65%	0.647	81%	0.814	S	S	*	*			cis	-149.8	170.5	13.7	-135.6	-25.4	0	0	0	116.5
716	C	28.6	Very low	32.7	Very low	116 Å²	116	157.7 Å²	157.7	78%	0.784	81%	0.811	S	S	*	*			trans	63.6	141.1	156	-73.3	0	0	0	0	124.9
717	R	32.6	Very low	32.9	Very low	224 Å²	224	161 Å²	161	85%	0.845	81%	0.814	S	S	*	*			trans	-105.2	168.9	163.2	-66.5	178.9	171.4	172.2	-2.3	110.3
718	P	39.8	Very low	32.9	Very low	126 Å²	126	168.5 Å²	168.5	82%	0.818	82%	0.822	S	S	*	*				-142.7	-176	98.3	36.9	-21	0	0	0	115.4
719	H	32.8	Very low	33.2	Very low	169 Å²	169	165.6 Å²	165.6	78%	0.782	82%	0.823	S	S	*	*			trans	-77.6	155.7	-171.6	-60.4	-100	0	0	0	115.5
720	Q	30.1	Very low	33.3	Very low	199 Å²	199	162.7 Å²	162.7	93%	0.93	82%	0.824	S	S	*	*			trans	-152.1	157.6	138.3	-113.2	172.8	48.3	0	0	112.5
721	R	34.8	Very low	33.8	Very low	240 Å²	240	157.5 Å²	157.5	91%	0.906	82%	0.817	S	S	*	*			trans	-107.3	143.5	177.9	-71.2	174.1	170.1	160.6	-5.7	110.5
722	P	36.5	Very low	34.1	Very low	128 Å²	128	161.6 Å²	161.6	83%	0.831	82%	0.821	S	S	*	*			trans	-91.2	142.4	152.4	-5.5	24.9	0	0	0	111.4
723	K	32.1	Very low	34.3	Very low	200 Å²	200	166.3 Å²	166.3	87%	0.87	84%	0.841	S	S	*	*			trans	-113.1	161.4	159	-110.7	-169	175	-173.7	0	108.3
724	P	40.3	Very low	34.4	Very low	124 Å²	124	169.3 Å²	169.3	81%	0.805	85%	0.846	S	S	*	*			trans	-72.3	156.5	-165.2	29.9	-36.4	0	0	0	113.4
725	R	31.3	Very low	34.5	Very low	254 Å²	254	169.8 Å²	169.8	96%	0.958	85%	0.851	S	S	*	*			trans	-106.9	146.7	169.2	-114.8	-178.4	177.7	-179.7	-0.6	110.8
726	T	32.4	Very low	34.7	Very low	134 Å²	134	172.6 Å²	172.6	82%	0.822	86%	0.863	S	S	*	*			trans	-94.3	162.3	-172.1	46.6	0	0	0	0	113.8
727	L	33.3	Very low	35.1	Very low	169 Å²	169	175.9 Å²	175.9	89%	0.885	87%	0.867	S	S	*	*			trans	-31.9	143	164.5	-69	149.3	0	0	0	115.6
728	R	32.8	Very low	35.2	Very low	254 Å²	254	172.9 Å²	172.9	96%	0.958	87%	0.869	S	S	*	*			trans	-140.2	146.6	136.7	-103.4	-172.6	177.3	-173	-1.8	109
729	A	37.6	Very low	34.9	Very low	87 Å²	87	176 Å²	176	72%	0.719	87%	0.872	S	S	*	*			trans	-111.3	158.6	173.8	0	0	0	0	0	110.2
730	N	36	Very low	35.1	Very low	153 Å²	153	176.5 Å²	176.5	82%	0.818	88%	0.878	S	S	*	*			trans	-170.7	120.6	150.8	-90	-9.8	0	0	0	104.5
731	V	39.6	Very low	35.4	Very low	114 Å²	114	174.8 Å²	174.8	69%	0.691	87%	0.874	S	S	*	*				93.3	113.4	59.1	165.5	0	0	0	0	111.3
732	E	38.3	Very low	35.5	Very low	173 Å²	173	169.3 Å²	169.3	81%	0.808	87%	0.872	S	S	*	*			trans	53.3	105.9	153.9	-66.1	165	176.3	0	0	120.2
733	N	35.6	Very low	35.4	Very low	242 Å²	242	173.1 Å²	173.1	100%	1.294	88%	0.875	S	S	*	*				-151.8	0	91.1	-96.4	-33.1	0	0	0	110.5

Retrieved 733 of 733 residues in 613.6 ms (Link to these results)

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