A0A060D6K6_MAIZE Loading...

GRAS transcription factor

AlphaFold DB , UniProt , Accession A0A060D6K6, Species MAIZE (Zea mays, Maize), Gene GRAS33, Length 645 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	29.1	Very low	246 Å²	246	163.5 Å²	163.5	100%	1.212	90%	0.901	S	S	*	*				0	171.9	0	-75.1	179.5	172.6	0	0	108.9
2	R	33.8	Very low	29.2	Very low	257 Å²	257	164.5 Å²	164.5	97%	0.97	89%	0.894	S	S	*	*			trans	-45.8	145.2	179.6	-60.4	167.6	175.3	159.6	-4.6	112.3
3	G	28.5	Very low	29.3	Very low	73 Å²	73	157.1 Å²	157.1	75%	0.753	88%	0.879	S	S	*	*			cis	144.8	140.3	-2.7	0	0	0	0	0	111.4
4	M	29.6	Very low	29.7	Very low	195 Å²	195	157.7 Å²	157.7	96%	0.961	87%	0.871	S	S	*	*			trans	-132.7	138.9	171.9	-78.8	-175	171.2	0	0	110
5	L	28	Very low	30.1	Very low	177 Å²	177	153.1 Å²	153.1	93%	0.927	86%	0.862	S	S	*	*			trans	-104.2	127.6	179	-73.7	159.4	0	0	0	109.1
6	F	30.6	Very low	30.1	Very low	214 Å²	214	146.9 Å²	146.9	94%	0.939	84%	0.843	S	S	*	*			trans	-107.3	115.3	158.9	-101.7	-86.4	0	0	0	108.4	G8	F6-G8 PolarHBondContact O-N 3Å
7	A	26.1	Very low	30.7	Very low	107 Å²	107	143.2 Å²	143.2	88%	0.884	82%	0.823	S	S	*	*			trans	-86.9	94	175.4	0	0	0	0	0	109.6
8	G	28.4	Very low	31	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	81%	0.814	S	S	*	*			trans	-84	127.9	168.1	0	0	0	0	0	110.4	F6 A10	F6-G8 PolarHBondContact O-N 3Å; G8-A10 PolarHBondContact O-N 3.15Å
9	S	25.7	Very low	31.4	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	81%	0.806	S	S	*	*			trans	-75.9	115.2	178.9	-175	0	0	0	0	110.9
10	A	29.7	Very low	31.8	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	80%	0.8	S	S	*	*			trans	-95	116.7	166.6	0	0	0	0	0	109.5	G8 E12	G8-A10 PolarHBondContact O-N 3.15Å; A10-E12 PolarHBondContact O-N 3.21Å
11	R	28.6	Very low	32.3	Very low	247 Å²	247	139.2 Å²	139.2	93%	0.932	79%	0.785	S	S	*	*			trans	-81.6	104	162.9	-91.9	-179.9	160.9	-178.4	-6.4	108.1
12	E	30.2	Very low	32.7	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	76%	0.759	S	S	*	*			trans	-70.4	128.8	173.6	-66.6	-176.2	130.3	0	0	110.8	A10 H14	A10-E12 PolarHBondContact O-N 3.21Å; E12-H14 PolarHBondContact O-ND1 2.88Å
13	G	31.1	Very low	33	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	74%	0.736	S	S	*	*			trans	-73.2	128.9	-172.4	0	0	0	0	0	112.8	A15	G13-A15 PolarHBondContact O-N 2.79Å
14	H	33.9	Very low	33.7	Very low	166 Å²	166	128.3 Å²	128.3	77%	0.769	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	10.1	-176.2	-78.5	36.5	0	0	0	115.4	E12	E12-H14 PolarHBondContact O-ND1 2.88Å
15	A	36	Very low	34.4	Very low	89 Å²	89	125.9 Å²	125.9	74%	0.736	71%	0.711	S	S	*	*	H	α-helix	trans	-69.1	-34.9	-176.4	0	0	0	0	0	113.8	G13 T17	G13-A15 PolarHBondContact O-N 2.79Å; A15-T17 PolarHBondContact O-N 3.12Å
16	G	30.8	Very low	35.2	Very low	53 Å²	53	123.9 Å²	123.9	55%	0.546	70%	0.697	S	S	.	*	H	α-helix	trans	-70	-27.1	-174.9	0	0	0	0	0	114.9
17	T	40.3	Very low	35.7	Very low	84 Å²	84	123.6 Å²	123.6	52%	0.515	69%	0.689	S	S	.	*	H	α-helix	trans	-77.4	-31.6	-167	-36	0	0	0	0	113.5	A15 Q20 L21	A15-T17 PolarHBondContact O-N 3.12Å; T17-Q20 PolarHBondContact O-N 3.08Å; T17-L21 HydrophobicContact CG2-CD1 4.3Å; T17-L21 PolarHBondContact O-N 3.5Å; T17-L21 VanDerWaalsContact O-N 3.15Å
18	L	36.3	Very low	36.5	Very low	124 Å²	124	124.3 Å²	124.3	65%	0.649	67%	0.674	S	S	*	*	H	α-helix	trans	-67	-44.9	-177.3	-94.5	162.3	0	0	0	112.6	Q20 L21 Q22	L18-Q20 VanDerWaalsContact C-N 3.26Å; L18-Q20 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-Q22 PolarHBondContact O-N 3.2Å
19	L	38.3	Very low	36.9	Very low	128 Å²	128	123.6 Å²	123.6	67%	0.67	67%	0.667	S	S	*	*	H	α-helix	trans	-61.7	-35.6	178.4	-115.8	161.4	0	0	0	112	L23	L19-L23 PolarHBondContact O-N 2.84Å
20	Q	38.6	Very low	37.4	Very low	144 Å²	144	125.4 Å²	125.4	67%	0.673	67%	0.667	S	S	*	*	H	α-helix	trans	-73.3	-37.9	178.8	-162	130.4	35.4	0	0	112.6	T17 L18 Q24	T17-Q20 PolarHBondContact O-N 3.08Å; L18-Q20 VanDerWaalsContact C-N 3.26Å; L18-Q20 PolarHBondContact O-N 2.98Å; Q20-Q24 WeakPolarHBondContact O-CB 3.41Å; Q20-Q24 PolarHBondContact O-N 3.2Å
21	L	42.2	Very low	37.7	Very low	94 Å²	94	125.3 Å²	125.3	49%	0.492	67%	0.666	S	S	.	*	H	α-helix	trans	-67.7	-39.1	174.9	-78.5	165.8	0	0	0	112.7	T17 L18 Q24 H25	T17-L21 HydrophobicContact CG2-CD1 4.3Å; T17-L21 PolarHBondContact O-N 3.5Å; T17-L21 VanDerWaalsContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 3.31Å; L21-Q24 PolarHBondContact O-N 3.3Å; L21-H25 PolarHBondContact O-N 3.47Å
22	Q	40.5	Very low	37.8	Very low	141 Å²	141	118 Å²	118	66%	0.659	66%	0.659	S	S	*	*	H	α-helix	trans	-59.7	-48.2	176.9	-154.4	80.6	-14.9	0	0	111.2	L18 Q24 H25 Q26	L18-Q22 PolarHBondContact O-N 3.2Å; Q22-Q24 VanDerWaalsContact C-N 3.34Å; Q22-Q24 PolarHBondContact O-N 2.72Å; Q22-H25 PolarHBondContact O-N 3.12Å; Q22-Q26 PolarHBondContact O-N 3.26Å
23	L	40.3	Very low	37.8	Very low	96 Å²	96	113.4 Å²	113.4	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-66.4	-32.1	176.5	-80.7	164.1	0	0	0	112.9	L19 Q26 R27	L19-L23 PolarHBondContact O-N 2.84Å; L23-Q26 PolarHBondContact O-N 3.11Å; L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.32Å; L23-R27 VanDerWaalsContact O-N 3.13Å
24	Q	42.9	Very low	37.7	Very low	109 Å²	109	119.9 Å²	119.9	51%	0.509	67%	0.666	S	S	.	*	H	α-helix	trans	-71	-38	177.9	-166.8	166	5.4	0	0	112.2	Q20 L21 Q22 R27 Q28	Q20-Q24 WeakPolarHBondContact O-CB 3.41Å; Q20-Q24 PolarHBondContact O-N 3.2Å; L21-Q24 PolarHBondContact O-N 3.3Å; Q22-Q24 VanDerWaalsContact C-N 3.34Å; Q22-Q24 PolarHBondContact O-N 2.72Å; Q24-R27 PolarHBondContact O-N 3.46Å; Q24-Q28 PolarHBondContact O-N 3.39Å; Q24-Q28 VanDerWaalsContact O-N 3.16Å
25	H	44	Very low	37.7	Very low	144 Å²	144	118.5 Å²	118.5	67%	0.667	67%	0.669	S	S	*	*	H	α-helix	trans	-61.1	-45.9	171.2	-109.2	103.9	0	0	0	111.8	L21 Q22 R27 Q28 G29	L21-H25 PolarHBondContact O-N 3.47Å; Q22-H25 PolarHBondContact O-N 3.12Å; H25-R27 VanDerWaalsContact C-N 3.29Å; H25-R27 PolarHBondContact O-N 2.87Å; H25-Q28 PolarHBondContact O-N 3.47Å; H25-Q28 VanDerWaalsContact O-N 3.11Å; H25-G29 PolarHBondContact O-N 3.2Å; H25-G29 VanDerWaalsContact O-N 3.09Å
26	Q	44.1	Very low	37.6	Very low	135 Å²	135	119.9 Å²	119.9	63%	0.631	67%	0.673	S	S	*	*	H	α-helix	trans	-62.9	-35.1	-179.9	-157.8	179.7	22	0	0	112.4	Q22 L23	Q22-Q26 PolarHBondContact O-N 3.26Å; L23-Q26 PolarHBondContact O-N 3.11Å
27	R	41.6	Very low	37.6	Very low	209 Å²	209	121.3 Å²	121.3	79%	0.789	69%	0.689	S	S	*	*	H	α-helix	trans	-73.7	-24.8	174.9	-67.9	-177.4	92.1	169.2	8.6	113.9	L23 Q24 H25	L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.32Å; L23-R27 VanDerWaalsContact O-N 3.13Å; Q24-R27 PolarHBondContact O-N 3.46Å; H25-R27 VanDerWaalsContact C-N 3.29Å; H25-R27 PolarHBondContact O-N 2.87Å
28	Q	42.4	Very low	37.1	Very low	121 Å²	121	122.7 Å²	122.7	57%	0.565	71%	0.708	S	S	*	*	H	α-helix	trans	-77.6	-32.9	173.2	-71.4	-175.9	4.9	0	0	112.1	Q24 H25 L30 A31	Q24-Q28 PolarHBondContact O-N 3.39Å; Q24-Q28 VanDerWaalsContact O-N 3.16Å; H25-Q28 PolarHBondContact O-N 3.47Å; H25-Q28 VanDerWaalsContact O-N 3.11Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.5Å; Q28-A31 PolarHBondContact O-N 3.27Å
29	G	37.6	Very low	36.8	Very low	61 Å²	61	120.3 Å²	120.3	63%	0.629	71%	0.714	S	S	*	*	H	α-helix	trans	-59.8	-33.5	175.1	0	0	0	0	0	114.7	H25	H25-G29 PolarHBondContact O-N 3.2Å; H25-G29 VanDerWaalsContact O-N 3.09Å
30	L	36.9	Very low	36.4	Very low	160 Å²	160	121.6 Å²	121.6	84%	0.838	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-4	178.7	-84.7	78.5	0	0	0	114.4	Q28	Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.5Å
31	A	34.6	Very low	35.8	Very low	84 Å²	84	122 Å²	122	69%	0.694	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-13.4	-175.8	0	0	0	0	0	114.2	Q28	Q28-A31 PolarHBondContact O-N 3.27Å
32	A	31.4	Very low	35.2	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	75%	0.75	S	S	*	*	S	Bend	trans	-109.4	68.4	-170.1	0	0	0	0	0	113.1
33	G	29.3	Very low	34.7	Very low	77 Å²	77	130.3 Å²	130.3	79%	0.794	75%	0.753	S	S	*	*			trans	179.9	72.1	178.1	0	0	0	0	0	115.3
34	K	28.7	Very low	34.2	Very low	205 Å²	205	132 Å²	132	89%	0.891	77%	0.77	S	S	*	*			trans	-149.1	71.7	-179.7	-162.1	176.6	-176.6	175.1	0	115
35	V	34.1	Very low	33.6	Very low	137 Å²	137	132.6 Å²	132.6	83%	0.83	78%	0.781	S	S	*	*			trans	-138.6	116.7	163.9	177.4	0	0	0	0	110.5
36	S	34.6	Very low	32.9	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	78%	0.78	S	S	*	*			trans	20.5	127.4	162.5	63.5	0	0	0	0	122.1
37	G	31.2	Very low	32.1	Very low	84 Å²	84	130.9 Å²	130.9	87%	0.866	79%	0.793	S	S	*	*			trans	178.9	133	155.6	0	0	0	0	0	110.4
38	A	29	Very low	31.4	Very low	112 Å²	112	128 Å²	128	93%	0.926	79%	0.793	S	S	*	*			trans	-118.7	145.8	176.6	0	0	0	0	0	109.9
39	G	30.4	Very low	30.8	Very low	75 Å²	75	129.4 Å²	129.4	77%	0.773	80%	0.804	S	S	*	*			trans	144.3	107.2	178	0	0	0	0	0	113
40	D	29.6	Very low	30.6	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	82%	0.818	S	S	*	*			trans	-35.1	150.1	178.7	-57.7	-52.8	0	0	0	119.9
41	L	27.3	Very low	30.5	Very low	153 Å²	153	141.7 Å²	141.7	80%	0.801	82%	0.82	S	S	*	*			trans	56.5	95.1	138.8	-161.2	76.4	0	0	0	118.8
42	W	28.8	Very low	30.4	Very low	253 Å²	253	147 Å²	147	96%	0.958	83%	0.83	S	S	*	*			trans	-120.4	109.6	161.5	-83.5	50.2	0	0	0	110.5
43	E	30.6	Very low	30.6	Very low	156 Å²	156	147.7 Å²	147.7	73%	0.729	83%	0.83	S	S	*	*			trans	-82.9	136.2	165.9	-67.1	-175.9	124.6	0	0	110.4
44	P	28.7	Very low	30.9	Very low	131 Å²	131	150 Å²	150	85%	0.851	83%	0.831	S	S	*	*			trans	-83.5	115.9	172.3	31.9	-30.8	0	0	0	110.6
45	T	31.6	Very low	31	Very low	123 Å²	123	145.5 Å²	145.5	76%	0.755	83%	0.825	S	S	*	*			trans	-125.8	140.8	178.6	44.7	0	0	0	0	114.1
46	S	29.2	Very low	31.3	Very low	92 Å²	92	144.8 Å²	144.8	64%	0.643	82%	0.823	S	S	*	*			trans	64.8	127.5	167.7	-159.2	0	0	0	0	119.9	L48	S46-L48 VanDerWaalsContact OG-C 3.31Å; S46-L48 PolarHBondContact OG-N 3.34Å; S46-L48 PolarHBondContact OG-O 3.26Å; S46-L48 VanDerWaalsContact OG-O 3.09Å
47	V	26.2	Very low	31.4	Very low	150 Å²	150	144.7 Å²	144.7	91%	0.909	82%	0.823	S	S	*	*	S	Bend	trans	-120.9	36.2	152.3	-161	0	0	0	0	109.6
48	L	27.8	Very low	32.2	Very low	149 Å²	149	146.3 Å²	146.3	78%	0.78	82%	0.818	S	S	*	*			trans	-138.4	83	173.3	-76.3	177.2	0	0	0	109.6	S46	S46-L48 VanDerWaalsContact OG-C 3.31Å; S46-L48 PolarHBondContact OG-N 3.34Å; S46-L48 PolarHBondContact OG-O 3.26Å; S46-L48 VanDerWaalsContact OG-O 3.09Å
49	D	29.2	Very low	32.9	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	81%	0.808	S	S	*	*			trans	-165.6	124.9	130.5	-127.9	-31.2	0	0	0	112.8
50	R	32.8	Very low	33	Very low	245 Å²	245	149 Å²	149	93%	0.925	81%	0.81	S	S	*	*			trans	-155.9	63.9	171.5	-101.1	-160.6	179.2	-174.6	0.9	113
51	R	35.1	Very low	33.4	Very low	234 Å²	234	146.6 Å²	146.6	88%	0.883	81%	0.805	S	S	*	*	S	Bend		-179.5	147.4	128.5	-95.7	153.1	-165.3	-100.3	3.5	111.3
52	H	33.7	Very low	33.8	Very low	195 Å²	195	146.1 Å²	146.1	90%	0.903	81%	0.808	S	S	*	*			trans	-67.9	143.3	-172.8	-67.4	-91.1	0	0	0	114
53	S	34.1	Very low	34.5	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	80%	0.799	S	S	*	*			trans	-83.8	-177	166.4	44.1	0	0	0	0	111.5
54	P	36.5	Very low	34.7	Very low	125 Å²	125	138.3 Å²	138.3	81%	0.812	80%	0.802	S	S	*	*			cis	-126.4	-179.1	-17.1	28.2	-7.3	0	0	0	113.4
55	S	30.6	Very low	35	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	80%	0.8	S	S	*	*			trans	-113.5	147.5	171.2	167.1	0	0	0	0	112.2
56	P	41.5	Very low	35.1	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	80%	0.798	S	S	*	*			trans	-111.2	158.8	153.2	36.1	-27.7	0	0	0	112.8
57	S	35	Very low	35.1	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	81%	0.806	S	S	*	*			trans	-81.7	160.2	-159.9	-52.8	0	0	0	0	117.6
58	P	48.3	Very low	35.9	Very low	118 Å²	118	138 Å²	138	77%	0.766	80%	0.798	S	S	*	*			trans	-91.6	-175.7	178.1	40.2	-38.5	0	0	0	113.4
59	P	43.6	Very low	35.9	Very low	112 Å²	112	139 Å²	139	73%	0.727	80%	0.804	S	S	*	*				-153.2	-176.2	102.4	40.7	-22.5	0	0	0	117.1
60	T	33.1	Very low	36.1	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	80%	0.8	S	S	*	*			trans	69.2	140.5	170.8	72.3	0	0	0	0	117.5
61	S	37.8	Very low	35.9	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	80%	0.795	S	S	*	*			cis	-147.7	143	32.5	-62.5	0	0	0	0	116.3
62	V	36.1	Very low	35.6	Very low	143 Å²	143	122 Å²	122	87%	0.867	79%	0.794	S	S	*	*			trans	11.3	159.4	157.3	-74.8	0	0	0	0	125.5
63	P	42.4	Very low	35.2	Very low	116 Å²	116	119.6 Å²	119.6	75%	0.753	79%	0.793	S	S	*	*			trans	-126.7	168.2	-157.3	43.9	-29.4	0	0	0	118.4
64	T	36.1	Very low	35.1	Very low	129 Å²	129	119.6 Å²	119.6	79%	0.791	80%	0.8	S	S	*	*			trans	-169.5	162.1	157	44.2	0	0	0	0	108
65	L	34.2	Very low	34.6	Very low	155 Å²	155	116.9 Å²	116.9	81%	0.812	79%	0.794	S	S	*	*			cis	-170.7	162.2	-20	-93	170	0	0	0	104.1
66	S	33.8	Very low	34.3	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	80%	0.799	S	S	*	*			cis	-154.7	179.6	8.4	-103.9	0	0	0	0	110.1
67	S	29.5	Very low	33.5	Very low	114 Å²	114	117 Å²	117	80%	0.797	80%	0.797	S	S	*	*			trans	-101.3	-166.1	168.9	-45.1	0	0	0	0	110.5
68	P	42.6	Very low	33	Very low	116 Å²	116	116 Å²	116	75%	0.753	80%	0.795	S	S	*	*			cis	-143.8	172.2	0.6	44.1	-24.8	0	0	0	118.8
69	L	29	Very low	32	Very low	170 Å²	170	118.4 Å²	118.4	89%	0.89	80%	0.801	S	S	*	*			trans	21.6	125	139	-164.4	71.8	0	0	0	122.2
70	G	32	Very low	31.1	Very low	71 Å²	71	117.6 Å²	117.6	73%	0.732	80%	0.803	S	S	*	*			trans	-165.8	117.6	148.4	0	0	0	0	0	108.9
71	A	28.3	Very low	30.8	Very low	100 Å²	100	115.2 Å²	115.2	83%	0.826	81%	0.805	S	S	*	*			cis	90.2	91.3	47	0	0	0	0	0	113.5
72	A	30.4	Very low	30.3	Very low	102 Å²	102	115.1 Å²	115.1	84%	0.843	81%	0.811	S	S	*	*			trans	-152.9	143.7	161.1	0	0	0	0	0	109.6
73	T	25.3	Very low	30	Very low	144 Å²	144	116.2 Å²	116.2	88%	0.883	81%	0.812	S	S	*	*			trans	-139.7	168	-178.8	47.2	0	0	0	0	111.1
74	A	32	Very low	29.4	Very low	111 Å²	111	115 Å²	115	92%	0.917	81%	0.811	S	S	*	*			trans	70.4	153.1	-171.8	0	0	0	0	0	115.4
75	G	25.3	Very low	29	Very low	67 Å²	67	117.5 Å²	117.5	69%	0.691	81%	0.811	S	S	*	*			cis	159.8	150.7	-12.7	0	0	0	0	0	114.8
76	V	24.5	Very low	28.8	Very low	146 Å²	146	118 Å²	118	89%	0.885	82%	0.815	S	S	*	*			trans	72.5	108.9	158.3	-171.5	0	0	0	0	119.7
77	A	24.5	Very low	28.6	Very low	90 Å²	90	118.9 Å²	118.9	74%	0.744	82%	0.815	S	S	*	*			trans	51.4	125.4	138.2	0	0	0	0	0	124.9
78	A	24.1	Very low	28.3	Very low	92 Å²	92	118.6 Å²	118.6	76%	0.76	81%	0.814	S	S	*	*				64.5	113.9	128.5	0	0	0	0	0	123.2
79	L	28.4	Very low	27.9	Very low	169 Å²	169	118.8 Å²	118.8	89%	0.885	82%	0.815	S	S	*	*				-167.6	127.8	127.2	-116.5	97.5	0	0	0	106.1
80	A	24.4	Very low	28.1	Very low	95 Å²	95	116 Å²	116	79%	0.785	81%	0.807	S	S	*	*				56.7	101.5	73.6	0	0	0	0	0	114.4
81	G	27	Very low	28	Very low	82 Å²	82	118.8 Å²	118.8	85%	0.845	81%	0.812	S	S	*	*			trans	179.7	61.2	-176.1	0	0	0	0	0	119
82	A	27.3	Very low	28.1	Very low	101 Å²	101	121.1 Å²	121.1	84%	0.835	82%	0.816	S	S	*	*			trans	20.5	108.1	156.3	0	0	0	0	0	122.7
83	N	29.3	Very low	28	Very low	167 Å²	167	120.9 Å²	120.9	89%	0.893	81%	0.813	S	S	*	*				-164.5	153.7	128.3	-123.5	-14.1	0	0	0	108.8
84	A	30.1	Very low	28.1	Very low	89 Å²	89	119 Å²	119	74%	0.736	81%	0.812	S	S	*	*			cis	-135.5	176.9	4.4	0	0	0	0	0	112.2
85	K	27	Very low	28.1	Very low	182 Å²	182	118.9 Å²	118.9	79%	0.791	81%	0.811	S	S	*	*			trans	-110.8	138.3	-176.2	-58.9	173.8	-179.2	175.5	0	112	V87	K85-V87 HydrophobicContact CB-CG2 4.29Å
86	N	29.3	Very low	28.1	Very low	166 Å²	166	120.1 Å²	120.1	89%	0.888	82%	0.816	S	S	*	*			trans	-144.7	97.5	151.6	-85.8	-25.1	0	0	0	105.1
87	V	29.8	Very low	28.2	Very low	122 Å²	122	125.3 Å²	125.3	74%	0.739	82%	0.819	S	S	*	*				68.6	91.9	63.4	-173.3	0	0	0	0	111.9	K85	K85-V87 HydrophobicContact CB-CG2 4.29Å
88	S	24.5	Very low	28.9	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.8	146.4	163.8	-43.9	0	0	0	0	110.5
89	P	34.6	Very low	29	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.9	141.2	163.6	33	-31.5	0	0	0	111.1
90	P	31.8	Very low	29	Very low	111 Å²	111	122.1 Å²	122.1	72%	0.721	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.4	162.9	171.2	34.1	-35	0	0	0	112
91	P	31.1	Very low	29.1	Very low	129 Å²	129	121.9 Å²	121.9	84%	0.838	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-70.9	147.7	179.6	29.8	-35.8	0	0	0	112.8
92	V	30.4	Very low	29.2	Very low	150 Å²	150	121.9 Å²	121.9	91%	0.909	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-88.4	130.4	174.7	178.2	0	0	0	0	110
93	A	26.8	Very low	29.2	Very low	96 Å²	96	121.8 Å²	121.8	79%	0.793	83%	0.83	S	S	*	*			trans	-136	115.8	171.5	0	0	0	0	0	110.7
94	A	27.9	Very low	29.1	Very low	104 Å²	104	123 Å²	123	86%	0.86	83%	0.83	S	S	*	*			trans	174.8	102.4	150.4	0	0	0	0	0	111.9
95	A	31.2	Very low	28.9	Very low	109 Å²	109	127.6 Å²	127.6	90%	0.901	84%	0.836	S	S	*	*			trans	-157.3	83.6	158	0	0	0	0	0	109.2
96	A	26.4	Very low	28.8	Very low	94 Å²	94	123.2 Å²	123.2	78%	0.777	83%	0.834	S	S	*	*			trans	-112	127.2	-177.5	0	0	0	0	0	111.2
97	W	26.8	Very low	28.7	Very low	255 Å²	255	122.5 Å²	122.5	97%	0.966	84%	0.835	S	S	*	*			trans	-135.8	153.1	165.8	-82	77	0	0	0	109.5
98	P	37.9	Very low	28.5	Very low	117 Å²	117	121.5 Å²	121.5	76%	0.76	84%	0.84	S	S	*	*			trans	-128.3	163.8	-144	40.1	-26.1	0	0	0	116.6
99	G	27.2	Very low	28.5	Very low	81 Å²	81	119.8 Å²	119.8	84%	0.835	84%	0.839	S	S	*	*			trans	122.3	121.1	137.5	0	0	0	0	0	118
100	G	29.2	Very low	28	Very low	86 Å²	86	117.9 Å²	117.9	89%	0.887	84%	0.842	S	S	*	*			trans	91.5	138.2	163.4	0	0	0	0	0	115.4
101	G	25.8	Very low	27.5	Very low	89 Å²	89	122 Å²	122	92%	0.918	85%	0.848	S	S	*	*			cis	145.5	99.7	-7.5	0	0	0	0	0	113.1
102	G	29.3	Very low	27.1	Very low	83 Å²	83	123.4 Å²	123.4	86%	0.856	84%	0.844	S	S	*	*			trans	162.3	149	177.4	0	0	0	0	0	111
103	A	26.9	Very low	26.7	Very low	99 Å²	99	123.1 Å²	123.1	82%	0.818	83%	0.833	S	S	*	*			trans	-131.2	144.2	179	0	0	0	0	0	110.1
104	E	27.4	Very low	26.5	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	83%	0.83	S	S	*	*				-167	-172.2	118.8	-119.9	174.9	134.4	0	0	110.6
105	E	25.8	Very low	26.3	Very low	185 Å²	185	130.5 Å²	130.5	86%	0.864	83%	0.825	S	S	*	*			trans	-70.7	148.3	-167.5	-52.4	-175.5	112.9	0	0	115.4
106	A	24.8	Very low	26.2	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	80%	0.802	S	S	*	*				176.7	130.1	111.5	0	0	0	0	0	114.6
107	V	26.5	Very low	26.6	Very low	150 Å²	150	130.7 Å²	130.7	91%	0.909	80%	0.802	S	S	*	*			trans	28.9	100.5	146.4	-168.3	0	0	0	0	119.5
108	A	26.3	Very low	27.4	Very low	101 Å²	101	121.5 Å²	121.5	84%	0.835	78%	0.775	S	S	*	*			trans	-146.8	147.3	140.1	0	0	0	0	0	108.4
109	G	25	Very low	27.5	Very low	73 Å²	73	119.1 Å²	119.1	75%	0.753	76%	0.756	S	S	*	*			cis	114.9	19.8	15.7	0	0	0	0	0	113.2	K111	G109-K111 PolarHBondContact O-N 3.44Å
110	G	23	Very low	28.1	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	75%	0.754	S	S	*	*			trans	-65.3	98.2	-176.7	0	0	0	0	0	113.4
111	K	22.9	Very low	28.7	Very low	197 Å²	197	121.3 Å²	121.3	86%	0.857	73%	0.726	S	S	*	*			trans	-78.7	123.7	151.7	-84.8	-175.7	169.9	-175.2	0	108.2	G109 E113	G109-K111 PolarHBondContact O-N 3.44Å; K111-E113 PolarHBondContact O-N 2.7Å; K111-E113 VanDerWaalsContact O-N 3.15Å
112	E	22.3	Very low	29	Very low	158 Å²	158	119.8 Å²	119.8	74%	0.738	71%	0.711	S	S	*	*			trans	-74.5	98.7	163	-65.2	-174.8	145.9	0	0	108.4	W114	E112-W114 PolarHBondContact O-N 2.76Å
113	E	20.9	Very low	28.9	Very low	145 Å²	145	122.6 Å²	122.6	68%	0.678	71%	0.706	S	S	*	*			trans	-83	91.4	175.5	-166.8	177.7	128.6	0	0	109.7	K111 Q115	K111-E113 PolarHBondContact O-N 2.7Å; K111-E113 VanDerWaalsContact O-N 3.15Å; E113-Q115 VanDerWaalsContact C-N 3.28Å; E113-Q115 HydrophobicContact CG-CG 4.05Å; E113-Q115 PolarHBondContact O-N 3.19Å; E113-Q115 PolarHBondContact OE1-NE2 3.15Å
114	W	23.6	Very low	29	Very low	195 Å²	195	121.5 Å²	121.5	74%	0.739	70%	0.704	S	S	*	*			trans	-69.6	84.7	173.4	-67.5	92.9	0	0	0	110.2	E112 L116	E112-W114 PolarHBondContact O-N 2.76Å; W114-L116 VanDerWaalsContact C-N 3.35Å; W114-L116 PolarHBondContact O-N 2.82Å
115	Q	23.4	Very low	29	Very low	159 Å²	159	117.3 Å²	117.3	74%	0.743	70%	0.702	S	S	*	*			trans	-71.7	88.6	174.3	-69.4	-169.5	-10.5	0	0	110.4	E113	E113-Q115 VanDerWaalsContact C-N 3.28Å; E113-Q115 HydrophobicContact CG-CG 4.05Å; E113-Q115 PolarHBondContact O-N 3.19Å; E113-Q115 PolarHBondContact OE1-NE2 3.15Å
116	L	28.1	Very low	29	Very low	81 Å²	81	112.2 Å²	112.2	42%	0.424	70%	0.699	S	S	.	*	P	Polyproline II helix	trans	-79.5	128.3	172.3	-64.4	159.9	0	0	0	109.3	W114 P118 E469	W114-L116 VanDerWaalsContact C-N 3.35Å; W114-L116 PolarHBondContact O-N 2.82Å; L116-P118 WeakPolarHBondContact O-CD 3.36Å; L116-E469 HydrophobicContact CD1-CG 3.63Å; L116-E469 HydrophobicContact CD2-CG 4.24Å
117	T	35.5	Very low	29.2	Very low	126 Å²	126	116.4 Å²	116.4	77%	0.773	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-84.7	120.5	178.7	48.6	0	0	0	0	110.8
118	P	44.3	Very low	29.1	Very low	63 Å²	63	113.2 Å²	113.2	41%	0.409	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-58.4	170.3	161.9	-19.8	33.4	0	0	0	111	L116 D120	L116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-D120 PolarHBondContact O-N 3.36Å
119	L	39.5	Very low	29.2	Very low	67 Å²	67	120.6 Å²	120.6	35%	0.351	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-52.9	126.9	166.3	-73.1	168	0	0	0	109.7	M121 V427 L437 N461	L119-M121 PolarHBondContact O-N 3.19Å; L119-V427 HydrophobicContact CD1-CG2 4.25Å; L119-L437 HydrophobicContact CD1-CD1 4.2Å; L119-N461 HydrophobicContact CD2-CB 4.41Å
120	D	38.6	Very low	29.2	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.1	122.4	177.8	-172.6	0.5	0	0	0	109.6	P118 G122	P118-D120 PolarHBondContact O-N 3.36Å; D120-G122 PolarHBondContact OD1-N 3.27Å
121	M	43.7	Very low	29.5	Very low	63 Å²	63	126.4 Å²	126.4	31%	0.31	72%	0.716	S	S	.	*			trans	-96.5	7.6	-176	-73.6	-177.8	-84.3	0	0	112.1	L119 L123 N438 H441	L119-M121 PolarHBondContact O-N 3.19Å; M121-L123 PolarHBondContact O-N 2.93Å; M121-N438 WeakPolarHBondContact CB-OD1 3.35Å; M121-N438 WeakPolarHBondContact CG-OD1 3.4Å; M121-N438 PolarHBondContact O-ND2 3.26Å; M121-H441 HydrophobicContact SD-CB 4.43Å
122	G	30.4	Very low	29.7	Very low	58 Å²	58	121.7 Å²	121.7	60%	0.598	71%	0.714	S	S	*	*			trans	-57.4	119.5	-176.3	0	0	0	0	0	115.2	D120 G124	D120-G122 PolarHBondContact OD1-N 3.27Å; G122-G124 PolarHBondContact O-N 3.24Å; G122-G124 VanDerWaalsContact O-N 3.1Å
123	L	27.5	Very low	29.9	Very low	142 Å²	142	122.4 Å²	122.4	74%	0.743	72%	0.723	S	S	*	*			trans	-72.1	97.9	166.8	-77.3	169	0	0	0	110.1	M121 A125	M121-L123 PolarHBondContact O-N 2.93Å; L123-A125 PolarHBondContact O-N 2.68Å
124	G	29.4	Very low	30.2	Very low	76 Å²	76	120.1 Å²	120.1	78%	0.784	73%	0.729	S	S	*	*			trans	-61	114.7	169.4	0	0	0	0	0	111	G122 G126	G122-G124 PolarHBondContact O-N 3.24Å; G122-G124 VanDerWaalsContact O-N 3.1Å; G124-G126 PolarHBondContact O-N 2.88Å
125	A	27.6	Very low	30.3	Very low	103 Å²	103	115.8 Å²	115.8	85%	0.851	74%	0.735	S	S	*	*			trans	-65.4	126.4	172.7	0	0	0	0	0	109.5	L123	L123-A125 PolarHBondContact O-N 2.68Å
126	G	26.7	Very low	30.5	Very low	78 Å²	78	112.6 Å²	112.6	80%	0.804	74%	0.735	S	S	*	*			trans	-76.2	134.5	-169.9	0	0	0	0	0	114.1	G124	G124-G126 PolarHBondContact O-N 2.88Å
127	E	27.6	Very low	30.3	Very low	180 Å²	180	113.9 Å²	113.9	84%	0.841	75%	0.749	S	S	*	*			trans	-104.3	156.9	155.4	-64.1	-165.8	131.9	0	0	109.7
128	G	25.1	Very low	30	Very low	82 Å²	82	114 Å²	114	85%	0.845	75%	0.751	S	S	*	*			trans	-73.5	146.6	-163.9	0	0	0	0	0	115.1
129	W	28.1	Very low	29.3	Very low	256 Å²	256	114.5 Å²	114.5	97%	0.97	77%	0.769	S	S	*	*			trans	-105.5	88.1	176.2	-71.7	63	0	0	0	110.6
130	D	26	Very low	28.6	Very low	170 Å²	170	119.5 Å²	119.5	91%	0.909	80%	0.795	S	S	*	*			trans	-90.6	149.4	155.9	-93.8	-50.3	0	0	0	109.5
131	A	27.9	Very low	28	Very low	106 Å²	106	116.1 Å²	116.1	88%	0.876	79%	0.787	S	S	*	*			trans	-83.4	141.4	-160.9	0	0	0	0	0	115.4
132	A	28.1	Very low	27.6	Very low	98 Å²	98	118.4 Å²	118.4	81%	0.81	81%	0.807	S	S	*	*			trans	-154.1	146.4	157.9	0	0	0	0	0	110.9
133	D	25	Very low	27.7	Very low	173 Å²	173	120.5 Å²	120.5	93%	0.925	80%	0.804	S	S	*	*			trans	-68.1	132	178.6	-63.7	-85.4	0	0	0	113
134	A	27.6	Very low	27.8	Very low	98 Å²	98	122.1 Å²	122.1	81%	0.81	81%	0.808	S	S	*	*			trans	-140.8	125	163.5	0	0	0	0	0	109.8	A136	A134-A136 PolarHBondContact O-N 2.76Å
135	A	25.7	Very low	28.3	Very low	103 Å²	103	121.6 Å²	121.6	85%	0.851	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70	129	-178.7	0	0	0	0	0	111.2
136	A	27	Very low	28.7	Very low	92 Å²	92	117.7 Å²	117.7	76%	0.76	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.6	138.7	171.4	0	0	0	0	0	110.7	A134	A134-A136 PolarHBondContact O-N 2.76Å
137	P	25.7	Very low	29	Very low	109 Å²	109	116.8 Å²	116.8	71%	0.708	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-65	154.8	172.3	29.5	-34.9	0	0	0	110.5	G139	P137-G139 PolarHBondContact O-N 2.97Å
138	P	28.8	Very low	29.6	Very low	127 Å²	127	114.6 Å²	114.6	83%	0.825	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-59.6	126.7	177.2	25.9	-34.2	0	0	0	110	L140	P138-L140 PolarHBondContact O-N 2.76Å
139	G	28.6	Very low	29.8	Very low	75 Å²	75	120 Å²	120	77%	0.773	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.9	-173	0	0	0	0	0	112.8	P137 A141	P137-G139 PolarHBondContact O-N 2.97Å; G139-A141 PolarHBondContact O-N 3.28Å
140	L	25.6	Very low	30.3	Very low	172 Å²	172	108.9 Å²	108.9	90%	0.901	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-60.4	118	163.4	-83.2	155.1	0	0	0	108.6	P138 P142	P138-L140 PolarHBondContact O-N 2.76Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å
141	A	26.4	Very low	31	Very low	77 Å²	77	106.1 Å²	106.1	64%	0.636	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.6	124.6	175.6	0	0	0	0	0	109.8	G139 D143	G139-A141 PolarHBondContact O-N 3.28Å; A141-D143 PolarHBondContact O-N 3.41Å
142	P	35.2	Very low	31.1	Very low	112 Å²	112	103.6 Å²	103.6	73%	0.727	64%	0.637	S	S	*	*			trans	-80.4	68.9	-178.9	33.3	-35.4	0	0	0	111.2	L140 H144	L140-P142 WeakPolarHBondContact O-CD 3.41Å; P142-H144 PolarHBondContact O-N 3.23Å
143	D	31.6	Very low	31.1	Very low	101 Å²	101	102.5 Å²	102.5	54%	0.54	64%	0.635	S	S	.	*			trans	-67	-17.1	168.8	-96.7	-39.5	0	0	0	112.1	A141 R148	A141-D143 PolarHBondContact O-N 3.41Å; D143-R148 WeakPolarHBondContact O-CD 3.46Å; D143-R148 PolarHBondContact O-NH1 2.94Å; D143-R148 IonicContact OD1-CZ 3.6Å; D143-R148 IonicContact OD1-NH1 3.28Å; D143-R148 PolarHBondContact OD1-NH1 2.86Å; D143-R148 IonicContact OD1-NH2 3.95Å
144	H	30	Very low	31.3	Very low	176 Å²	176	103.8 Å²	103.8	82%	0.815	64%	0.635	S	S	*	*			trans	-87.9	108.4	174.2	-68.2	-88.9	0	0	0	111.6	P142	P142-H144 PolarHBondContact O-N 3.23Å
145	T	40	Very low	31.4	Very low	65 Å²	65	107.1 Å²	107.1	40%	0.399	64%	0.639	S	S	.	*			trans	-131	139.2	161.3	49.1	0	0	0	0	108.7	L147 R148 W149	T145-L147 PolarHBondContact O-N 3.03Å; T145-L147 VanDerWaalsContact O-N 3.16Å; T145-R148 WeakPolarHBondContact O-CB 3.27Å; T145-R148 PolarHBondContact O-N 3.11Å; T145-R148 WeakPolarHBondContact OG1-CB 3.45Å; T145-W149 PolarHBondContact O-N 3.13Å
146	F	36.8	Very low	31.4	Very low	21 Å²	21	106.8 Å²	106.8	9%	0.092	64%	0.637	C	S	.	*	H	α-helix	trans	-46.2	-43.5	174.8	171.2	-100.9	0	0	0	112.6	R148 W149 I150 V462 D463 L465 P467 L499	F146-R148 PolarHBondContact O-N 3.42Å; F146-W149 PolarHBondContact O-N 3.04Å; F146-I150 HydrophobicContact CD1-CD1 3.96Å; F146-I150 HydrophobicContact CD2-CD1 4.28Å; F146-I150 HydrophobicContact CE1-CD1 3.57Å; F146-I150 HydrophobicContact CE2-CD1 3.93Å; F146-I150 HydrophobicContact CG-CD1 4.3Å; F146-I150 HydrophobicContact CZ-CD1 3.56Å; F146-I150 PolarHBondContact O-N 3.38Å; F146-V462 WeakPolarHBondContact CB-O 3.5Å; F146-V462 HydrophobicContact CD1-CG2 4.43Å; F146-V462 WeakPolarHBondContact CD1-O 3.47Å; F146-V462 WeakPolarHBondContact CD2-O 3.43Å; F146-V462 HydrophobicContact CE1-CG2 4.29Å; F146-V462 WeakPolarHBondContact CG-O 3.23Å; F146-D463 PolarHBondContact N-O 3.2Å; F146-L465 WeakPolarHBondContact CD2-O 3.35Å; F146-L465 WeakPolarHBondContact CE2-O 3.07Å; F146-P467 HydrophobicContact CE2-CG 3.97Å; F146-L499 HydrophobicContact CZ-CD2 3.79Å
147	L	32.3	Very low	31.3	Very low	59 Å²	59	108.5 Å²	108.5	31%	0.309	64%	0.643	S	S	.	*	H	α-helix	trans	-62.4	-40.8	177.7	-61.6	-178.2	0	0	0	112.8	T145 W149 I150 I151 A492	T145-L147 PolarHBondContact O-N 3.03Å; T145-L147 VanDerWaalsContact O-N 3.16Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 2.93Å; L147-I150 PolarHBondContact O-N 3.29Å; L147-I151 HydrophobicContact CB-CD1 4.31Å; L147-I151 VanDerWaalsContact O-CB 3.27Å; L147-I151 WeakPolarHBondContact O-CB 3.4Å; L147-I151 WeakPolarHBondContact O-CD1 3.46Å; L147-I151 WeakPolarHBondContact O-CG1 3.37Å; L147-I151 PolarHBondContact O-N 3.26Å; L147-A492 HydrophobicContact CD1-CB 4Å; L147-A492 HydrophobicContact CD2-CB 3.51Å; L147-A492 HydrophobicContact CG-CB 4.43Å
148	R	39.4	Very low	31.5	Very low	135 Å²	135	108.5 Å²	108.5	51%	0.509	65%	0.652	S	S	.	*	H	α-helix	trans	-61.5	-39.8	176.3	-174.3	-176	-173.3	159.5	0.9	111.5	D143 T145 F146 I150 I151 G152	D143-R148 WeakPolarHBondContact O-CD 3.46Å; D143-R148 PolarHBondContact O-NH1 2.94Å; D143-R148 IonicContact OD1-CZ 3.6Å; D143-R148 IonicContact OD1-NH1 3.28Å; D143-R148 PolarHBondContact OD1-NH1 2.86Å; D143-R148 IonicContact OD1-NH2 3.95Å; T145-R148 WeakPolarHBondContact O-CB 3.27Å; T145-R148 PolarHBondContact O-N 3.11Å; T145-R148 WeakPolarHBondContact OG1-CB 3.45Å; F146-R148 PolarHBondContact O-N 3.42Å; R148-I150 VanDerWaalsContact C-N 3.29Å; R148-I150 PolarHBondContact O-N 3.3Å; R148-I151 PolarHBondContact O-N 3.43Å; R148-I151 VanDerWaalsContact O-N 3.13Å; R148-G152 PolarHBondContact O-N 2.7Å
149	W	31	Very low	31.5	Very low	196 Å²	196	106.7 Å²	106.7	74%	0.742	65%	0.648	S	S	*	*	H	α-helix	trans	-67.3	-27.9	-179.1	-154.4	75.2	0	0	0	113.1	T145 F146 L147	T145-W149 PolarHBondContact O-N 3.13Å; F146-W149 PolarHBondContact O-N 3.04Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 2.93Å
150	I	37.5	Very low	31.4	Very low	22 Å²	22	112.3 Å²	112.3	11%	0.113	66%	0.657	C	S	.	*	H	α-helix	trans	-91.1	-9.5	174.7	-44.9	164.2	0	0	0	112.2	F146 L147 R148 A495 R498	F146-I150 HydrophobicContact CD1-CD1 3.96Å; F146-I150 HydrophobicContact CD2-CD1 4.28Å; F146-I150 HydrophobicContact CE1-CD1 3.57Å; F146-I150 HydrophobicContact CE2-CD1 3.93Å; F146-I150 HydrophobicContact CG-CD1 4.3Å; F146-I150 HydrophobicContact CZ-CD1 3.56Å; F146-I150 PolarHBondContact O-N 3.38Å; L147-I150 PolarHBondContact O-N 3.29Å; R148-I150 VanDerWaalsContact C-N 3.29Å; R148-I150 PolarHBondContact O-N 3.3Å; I150-A495 HydrophobicContact CB-CB 3.71Å; I150-A495 HydrophobicContact CD1-CB 4.29Å; I150-A495 HydrophobicContact CG2-CB 3.37Å; I150-R498 PolarHBondContact O-NH2 3.21Å
151	I	41.2	Very low	31.6	Very low	112 Å²	112	107.5 Å²	107.5	57%	0.574	65%	0.648	S	S	*	*	H	α-helix	trans	-99.9	-35.6	-179.8	-72.5	169.2	0	0	0	112.7	L147 R148	L147-I151 HydrophobicContact CB-CD1 4.31Å; L147-I151 VanDerWaalsContact O-CB 3.27Å; L147-I151 WeakPolarHBondContact O-CB 3.4Å; L147-I151 WeakPolarHBondContact O-CD1 3.46Å; L147-I151 WeakPolarHBondContact O-CG1 3.37Å; L147-I151 PolarHBondContact O-N 3.26Å; R148-I151 PolarHBondContact O-N 3.43Å; R148-I151 VanDerWaalsContact O-N 3.13Å
152	G	28.6	Very low	31.8	Very low	53 Å²	53	109.1 Å²	109.1	55%	0.546	66%	0.655	S	S	.	*	S	Bend	trans	-124	105.2	-176.6	0	0	0	0	0	112.6	R148	R148-G152 PolarHBondContact O-N 2.7Å
153	G	28.8	Very low	31.3	Very low	75 Å²	75	109.7 Å²	109.7	77%	0.773	66%	0.656	S	S	*	*			trans	-163.8	3.7	-178	0	0	0	0	0	117
154	E	29.8	Very low	31.3	Very low	199 Å²	199	113.5 Å²	113.5	93%	0.93	67%	0.673	S	S	*	*			trans	-137.4	112.4	175.8	-68.3	-172.7	133.5	0	0	110
155	D	28.8	Very low	31.2	Very low	168 Å²	168	112.5 Å²	112.5	90%	0.898	67%	0.673	S	S	*	*			trans	-121.5	127.8	176.4	-119.1	-32.7	0	0	0	109.9
156	A	25.3	Very low	31	Very low	97 Å²	97	114.8 Å²	114.8	80%	0.802	69%	0.69	S	S	*	*	S	Bend	trans	65.3	141.8	165.9	0	0	0	0	0	122
157	S	25.5	Very low	30.8	Very low	128 Å²	128	119.9 Å²	119.9	90%	0.895	73%	0.725	S	S	*	*			trans	85	71.4	151.2	-144.5	0	0	0	0	121.1
158	A	31.2	Very low	30.5	Very low	108 Å²	108	122.6 Å²	122.6	89%	0.893	74%	0.744	S	S	*	*			trans	-141.2	157.6	141.7	0	0	0	0	0	109.3
159	A	27.5	Very low	30	Very low	90 Å²	90	124.7 Å²	124.7	74%	0.744	76%	0.764	S	S	*	*			trans	-128.2	168.4	-161.9	0	0	0	0	0	115.5
160	M	27.6	Very low	29.7	Very low	193 Å²	193	123.1 Å²	123.1	95%	0.951	77%	0.765	S	S	*	*			trans	67.6	145.9	178.7	-90	61.7	166.3	0	0	116.6
161	G	29.4	Very low	29.3	Very low	70 Å²	70	129.3 Å²	129.3	72%	0.722	80%	0.797	S	S	*	*			cis	175.7	153.8	-6.8	0	0	0	0	0	115
162	S	29.4	Very low	28.5	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	81%	0.806	S	S	*	*			trans	1.9	115.6	169	-167.9	0	0	0	0	121.8
163	V	26.3	Very low	28.6	Very low	124 Å²	124	136.7 Å²	136.7	75%	0.752	82%	0.819	S	S	*	*				19.5	112.5	122.2	-174.1	0	0	0	0	118.6
164	M	30.7	Very low	28.6	Very low	182 Å²	182	137.1 Å²	137.1	90%	0.897	82%	0.816	S	S	*	*				-178.1	167.2	115.1	-99.1	-146.3	166.8	0	0	113.2
165	D	27.9	Very low	29	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	81%	0.809	S	S	*	*			trans	-78.4	160.8	-168.8	-73.6	-70.1	0	0	0	116.8
166	P	35.2	Very low	29	Very low	114 Å²	114	130 Å²	130	74%	0.74	80%	0.798	S	S	*	*			trans	-97.4	160.9	-176.4	38.6	-36.3	0	0	0	115
167	P	33.6	Very low	29.1	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	80%	0.799	S	S	*	*			trans	-109.3	144.9	166.8	36.7	-28.9	0	0	0	114.9
168	V	25.5	Very low	29.4	Very low	116 Å²	116	135.7 Å²	135.7	70%	0.703	80%	0.798	S	S	*	*			trans	-58.9	149.2	175.3	173.4	0	0	0	0	114.3	E170	V168-E170 HydrophobicContact CG1-CG 3.95Å
169	L	29.2	Very low	29.4	Very low	179 Å²	179	136 Å²	136	94%	0.937	79%	0.794	S	S	*	*			trans	-136.1	123.4	140.3	-77.7	-177.9	0	0	0	110.5
170	E	23.8	Very low	29.7	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	80%	0.8	S	S	*	*			trans	-100	152.1	166.5	-63.3	178.8	138.2	0	0	109.9	V168	V168-E170 HydrophobicContact CG1-CG 3.95Å
171	L	30.4	Very low	29.7	Very low	152 Å²	152	133.3 Å²	133.3	80%	0.796	79%	0.791	S	S	*	*				-169	150.6	110.4	-129.4	71.9	0	0	0	112.2
172	D	24.8	Very low	29.9	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	80%	0.803	S	S	*	*			trans	-66.3	164.8	173	-62.5	-78.1	0	0	0	113.6
173	H	30.1	Very low	29.9	Very low	179 Å²	179	138.4 Å²	138.4	83%	0.829	80%	0.798	S	S	*	*				-175.8	144.9	106	-97.3	77	0	0	0	113.8
174	A	28.7	Very low	30.2	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	80%	0.802	S	S	*	*			trans	-135.8	177.4	161.4	0	0	0	0	0	106.8
175	P	37.6	Very low	30.3	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	79%	0.794	S	S	*	*			cis	-143.4	178.2	7.3	43.8	-25.5	0	0	0	117.4
176	S	28.5	Very low	30.7	Very low	98 Å²	98	136.4 Å²	136.4	69%	0.685	80%	0.797	S	S	*	*			trans	85.5	147.2	139.4	-141.1	0	0	0	0	123
177	M	29	Very low	30.6	Very low	167 Å²	167	136 Å²	136	82%	0.823	79%	0.794	S	S	*	*			trans	60.2	111	162.7	-51.3	-153.7	-178.9	0	0	120.8
178	M	31.1	Very low	30.5	Very low	176 Å²	176	139.3 Å²	139.3	87%	0.867	80%	0.796	S	S	*	*				-172.4	146.1	103.9	-123.8	64.8	149.8	0	0	111.6
179	S	31.6	Very low	30.8	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	79%	0.793	S	S	*	*			trans	-126	148.6	159.5	-62.3	0	0	0	0	108.7
180	P	34.2	Very low	31.3	Very low	135 Å²	135	134.8 Å²	134.8	88%	0.877	79%	0.786	S	S	*	*				-140.2	175	115.3	37.2	-24.5	0	0	0	113.2
181	A	27.7	Very low	31.6	Very low	92 Å²	92	131.2 Å²	131.2	76%	0.76	78%	0.784	S	S	*	*			trans	-119	153.6	-168.5	0	0	0	0	0	114.6
182	F	33	Very low	31.7	Very low	224 Å²	224	132.4 Å²	132.4	98%	0.982	79%	0.788	S	S	*	*			trans	-157.1	136.6	157.3	-101.7	-84.3	0	0	0	107
183	G	29.4	Very low	32.1	Very low	64 Å²	64	134.3 Å²	134.3	66%	0.66	79%	0.792	S	S	*	*			cis	171.4	163.9	-9.3	0	0	0	0	0	111.3
184	S	32.7	Very low	32.2	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	80%	0.796	S	S	*	*			trans	68.5	143.6	170	-89	0	0	0	0	118.8
185	T	32.6	Very low	32.3	Very low	119 Å²	119	133.6 Å²	133.6	73%	0.73	79%	0.794	S	S	*	*			cis	-153	141.7	-14.1	-20.4	0	0	0	0	111.8
186	M	36	Very low	32	Very low	180 Å²	180	137.7 Å²	137.7	89%	0.887	80%	0.8	S	S	*	*			trans	-144.8	133.3	149.4	-81.7	-66.9	-118.2	0	0	105.2
187	P	33.8	Very low	32.2	Very low	105 Å²	105	138.6 Å²	138.6	68%	0.682	80%	0.803	S	S	*	*				-154.9	162.5	84.8	39.9	-22	0	0	0	116.4
188	F	30.5	Very low	32.6	Very low	197 Å²	197	137 Å²	137	86%	0.864	80%	0.802	S	S	*	*				-172.7	144.4	119.9	-126.9	-94.3	0	0	0	114.7
189	A	33.2	Very low	32.9	Very low	79 Å²	79	133.7 Å²	133.7	65%	0.653	79%	0.794	S	S	*	*			trans	-162.8	162.6	161.2	0	0	0	0	0	105.7
190	P	38.8	Very low	32.7	Very low	122 Å²	122	138 Å²	138	79%	0.792	80%	0.799	S	S	*	*			cis	-144	-149.8	21.9	42.2	-19.7	0	0	0	114.2
191	A	30.1	Very low	32.5	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	79%	0.786	S	S	*	*			trans	96.4	93.1	148.7	0	0	0	0	0	121
192	M	33.2	Very low	32.7	Very low	177 Å²	177	138.6 Å²	138.6	87%	0.872	79%	0.79	S	S	*	*				176	119.5	126	-96.2	177.2	62.7	0	0	106.1
193	E	32.1	Very low	32.6	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	78%	0.781	S	S	*	*			cis	60.1	98.2	48.4	-64.1	-163.2	125.4	0	0	114.7
194	D	32.7	Very low	32.7	Very low	170 Å²	170	136.7 Å²	136.7	91%	0.909	79%	0.786	S	S	*	*				-153.2	171.8	106	-155.2	-12.5	0	0	0	109.4
195	A	31.7	Very low	32.4	Very low	79 Å²	79	138.3 Å²	138.3	65%	0.653	79%	0.785	S	S	*	*			trans	-133.3	151.2	-166.1	0	0	0	0	0	115.1
196	K	31	Very low	32.2	Very low	207 Å²	207	142.2 Å²	142.2	90%	0.9	79%	0.792	S	S	*	*			trans	-166.8	154.7	138.4	-108.2	152.2	-171.9	166.8	0	113.9
197	P	31.6	Very low	31.9	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	79%	0.785	S	S	*	*			trans	-107.2	-179.8	-170.5	41.8	-35.6	0	0	0	115.2
198	V	38.7	Very low	31.5	Very low	134 Å²	134	141.6 Å²	141.6	81%	0.812	79%	0.786	S	S	*	*			trans	-55.8	162.3	174.3	-143.8	0	0	0	0	114
199	P	36.7	Very low	31.5	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	78%	0.783	S	S	*	*				-144	135	121.8	30.3	-12.3	0	0	0	117.7
200	F	28.3	Very low	31.2	Very low	204 Å²	204	143.8 Å²	143.8	90%	0.895	78%	0.784	S	S	*	*			trans	56.7	136.6	138.2	-75.3	-79.9	0	0	0	125.4
201	G	28.3	Very low	30.6	Very low	60 Å²	60	144.2 Å²	144.2	62%	0.619	79%	0.789	S	S	*	*			trans	125	130	146	0	0	0	0	0	115
202	H	31.5	Very low	30.4	Very low	180 Å²	180	146.6 Å²	146.6	83%	0.833	79%	0.785	S	S	*	*			cis	-155.8	144.9	-11.8	-101	-75.4	0	0	0	109.8
203	T	30.9	Very low	30.4	Very low	132 Å²	132	147.1 Å²	147.1	81%	0.81	79%	0.785	S	S	*	*			trans	-108.5	151.8	149.7	51.5	0	0	0	0	109
204	P	32	Very low	30.1	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	78%	0.782	S	S	*	*			trans	-140.2	149.2	131.6	36.2	-23.8	0	0	0	113.7
205	N	26.7	Very low	29.9	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	78%	0.777	S	S	*	*			trans	-69.5	149.1	164.3	-69.9	-37.8	0	0	0	110.6
206	F	29.5	Very low	29.7	Very low	200 Å²	200	148.7 Å²	148.7	88%	0.877	78%	0.783	S	S	*	*			trans	-146.2	150.8	148.8	-116.7	-80.3	0	0	0	114.2
207	L	29.4	Very low	29.7	Very low	139 Å²	139	147.2 Å²	147.2	73%	0.728	78%	0.78	S	S	*	*			trans	-55.1	133.6	-166.4	-66.1	167	0	0	0	118
208	L	24.3	Very low	29.5	Very low	134 Å²	134	147.7 Å²	147.7	70%	0.702	78%	0.782	S	S	*	*				39	114.3	110.7	-169.3	153.4	0	0	0	118.1
209	H	31	Very low	29	Very low	173 Å²	173	149.8 Å²	149.8	80%	0.801	78%	0.783	S	S	*	*			trans	-156.6	159.8	133.3	-125.1	-86.1	0	0	0	113.8
210	H	26	Very low	28.6	Very low	148 Å²	148	148 Å²	148	69%	0.685	78%	0.778	S	S	*	*			trans	-61.1	152	-173.5	-70.9	-4.7	0	0	0	116.2
211	C	27.9	Very low	28.7	Very low	131 Å²	131	142.3 Å²	142.3	89%	0.885	77%	0.768	S	S	*	*				-140	140.7	117.5	-148.2	0	0	0	0	110.9
212	H	25.6	Very low	29.1	Very low	137 Å²	137	142.3 Å²	142.3	63%	0.634	75%	0.751	S	S	*	*			trans	-78.9	144.9	169.9	-79.8	6.1	0	0	0	110.3
213	Q	32.6	Very low	29.4	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	72%	0.718	S	S	*	*			trans	-154.5	131.5	132.5	-115.8	163.7	45.3	0	0	111
214	H	26.1	Very low	29.3	Very low	167 Å²	167	131.5 Å²	131.5	77%	0.773	71%	0.706	S	S	*	*			trans	-76.8	137.1	172.4	-77.4	-106.2	0	0	0	109.9
215	H	28.2	Very low	29.4	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.806	71%	0.709	S	S	*	*			trans	-140.7	122.6	154.6	-114	57.4	0	0	0	108.9	Q217	H215-Q217 PolarHBondContact O-N 3Å
216	P	28	Very low	29.8	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	68%	0.68	S	S	*	*			trans	-78.8	111.3	172	31.1	-30.1	0	0	0	109
217	Q	29.7	Very low	30.1	Very low	177 Å²	177	120.3 Å²	120.3	83%	0.827	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-76.5	146.6	162.8	-77.6	-170.6	-53.4	0	0	109.9	H215	H215-Q217 PolarHBondContact O-N 3Å
218	P	29.1	Very low	30.3	Very low	125 Å²	125	116.2 Å²	116.2	81%	0.812	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-66.4	146.3	175.8	29.2	-34.8	0	0	0	110.8	A220	P218-A220 PolarHBondContact O-N 3.33Å
219	H	27.3	Very low	30.8	Very low	178 Å²	178	113 Å²	113	82%	0.824	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-75.2	121.1	-171.1	-69.2	-100	0	0	0	113.3	A221	H219-A221 HydrophobicContact CB-CB 3.8Å; H219-A221 PolarHBondContact O-N 3.04Å
220	A	28.9	Very low	30.8	Very low	70 Å²	70	112.2 Å²	112.2	58%	0.579	63%	0.628	S	S	*	*			trans	-75.3	49.7	157.2	0	0	0	0	0	111.3	P218 F222	P218-A220 PolarHBondContact O-N 3.33Å; A220-F222 VanDerWaalsContact C-N 3.29Å; A220-F222 PolarHBondContact O-N 3.12Å
221	A	30.5	Very low	31	Very low	84 Å²	84	109.5 Å²	109.5	69%	0.694	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	65.1	-172.7	0	0	0	0	0	113	H219	H219-A221 HydrophobicContact CB-CB 3.8Å; H219-A221 PolarHBondContact O-N 3.04Å
222	F	35.4	Very low	31.2	Very low	60 Å²	60	107.6 Å²	107.6	26%	0.263	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.4	-51.7	159.5	-166.4	-103.5	0	0	0	110.8	A220 G224 L358 M401	A220-F222 VanDerWaalsContact C-N 3.29Å; A220-F222 PolarHBondContact O-N 3.12Å; F222-G224 PolarHBondContact O-N 3.39Å; F222-L358 HydrophobicContact CE2-CD2 3.69Å; F222-L358 HydrophobicContact CZ-CD2 3.62Å; F222-M401 HydrophobicContact CE1-CB 4.14Å; F222-M401 HydrophobicContact CZ-CB 4.17Å; F222-M401 HydrophobicContact CZ-CG 4.46Å
223	F	37.5	Very low	31.5	Very low	31 Å²	31	107 Å²	107	14%	0.136	63%	0.633	C	S	.	*	S	Bend	trans	-80	100.7	168.7	-55.1	-54	0	0	0	109.8	E403 A406 N443 L444 F447	F223-E403 HydrophobicContact CD1-CG 4.27Å; F223-E403 HydrophobicContact CE1-CB 4.15Å; F223-E403 HydrophobicContact CE1-CG 4.24Å; F223-A406 HydrophobicContact CD1-CB 4.17Å; F223-A406 HydrophobicContact CD2-CB 4.33Å; F223-A406 HydrophobicContact CE1-CB 3.88Å; F223-A406 HydrophobicContact CE2-CB 4.03Å; F223-A406 HydrophobicContact CG-CB 4.41Å; F223-A406 HydrophobicContact CZ-CB 3.81Å; F223-N443 HydrophobicContact CE2-CB 3.92Å; F223-N443 HydrophobicContact CZ-CB 4.14Å; F223-L444 HydrophobicContact CZ-CD2 4.41Å; F223-F447 HydrophobicContact CD2-CB 4.25Å; F223-F447 HydrophobicContact CD2-CD2 4.24Å; F223-F447 HydrophobicContact CD2-CG 4.14Å; F223-F447 HydrophobicContact CE2-CB 4.24Å; F223-F447 HydrophobicContact CE2-CG 4.48Å
224	G	30.1	Very low	31.4	Very low	53 Å²	53	106.6 Å²	106.6	55%	0.546	63%	0.631	S	S	.	*			trans	-59.3	162.5	165.1	0	0	0	0	0	110.9	F222 H226	F222-G224 PolarHBondContact O-N 3.39Å; G224-H226 PolarHBondContact O-CD2 3.39Å; G224-H226 PolarHBondContact O-N 2.86Å
225	S	33.5	Very low	31.6	Very low	118 Å²	118	104.7 Å²	104.7	83%	0.825	63%	0.634	S	S	*	*			trans	-63.1	93.1	-173.3	57.2	0	0	0	0	113	P227	S225-P227 WeakPolarHBondContact O-CD 3.13Å
226	H	36.5	Very low	31.8	Very low	49 Å²	49	106.1 Å²	106.1	23%	0.227	64%	0.638	C	S	.	*			trans	-65.8	111.9	172.6	-73.6	-99.4	0	0	0	109.3	G224 S228 E403 Q410	G224-H226 PolarHBondContact O-CD2 3.39Å; G224-H226 PolarHBondContact O-N 2.86Å; H226-S228 PolarHBondContact O-N 3.36Å; H226-E403 IonicContact CE1-OE1 2.66Å; H226-Q410 PolarHBondContact O-NE2 2.96Å
227	P	34.6	Very low	32	Very low	69 Å²	69	111.4 Å²	111.4	45%	0.448	64%	0.642	S	S	.	*			trans	-78.4	124.8	-175.8	-13.8	30.8	0	0	0	110.6	S225 L229	S225-P227 WeakPolarHBondContact O-CD 3.13Å; P227-L229 PolarHBondContact O-N 3.48Å
228	S	34.2	Very low	32	Very low	53 Å²	53	108.5 Å²	108.5	37%	0.371	64%	0.639	S	S	.	*			trans	-64.1	126.4	165.9	-167.9	0	0	0	0	109.2	H226 D230 Q414	H226-S228 PolarHBondContact O-N 3.36Å; S228-D230 PolarHBondContact O-N 3.28Å; S228-Q414 PolarHBondContact OG-NE2 3.02Å; S228-Q414 PolarHBondContact OG-OE1 3.21Å
229	L	35.1	Very low	32.3	Very low	67 Å²	67	111.3 Å²	111.3	35%	0.351	64%	0.64	S	S	.	*			trans	-96.8	61.4	-168.6	-75.6	177.1	0	0	0	112.6	P227 A231 A609	P227-L229 PolarHBondContact O-N 3.48Å; L229-A231 PolarHBondContact O-N 2.92Å; L229-A609 HydrophobicContact CD1-CB 4.29Å
230	D	30.2	Very low	32.6	Very low	156 Å²	156	108.1 Å²	108.1	83%	0.834	64%	0.636	S	S	*	*			trans	-86.6	84.5	-179.4	-155.9	3.4	0	0	0	111.9	S228	S228-D230 PolarHBondContact O-N 3.28Å
231	A	29.8	Very low	32.6	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	65%	0.652	S	S	*	*			trans	-155.7	56.9	-179.5	0	0	0	0	0	114.1	L229 P233	L229-A231 PolarHBondContact O-N 2.92Å; A231-P233 VanDerWaalsContact O-CD 3.31Å; A231-P233 WeakPolarHBondContact O-CD 3.4Å
232	A	32.8	Very low	32.6	Very low	92 Å²	92	114.1 Å²	114.1	76%	0.76	66%	0.656	S	S	*	*			trans	-81.4	115.2	173.3	0	0	0	0	0	112.2
233	P	30.7	Very low	32.3	Very low	124 Å²	124	115.3 Å²	115.3	81%	0.805	68%	0.684	S	S	*	*			trans	-76.8	128.7	176.1	30.9	-33.5	0	0	0	111.2	A231	A231-P233 VanDerWaalsContact O-CD 3.31Å; A231-P233 WeakPolarHBondContact O-CD 3.4Å
234	Q	30.5	Very low	32.1	Very low	181 Å²	181	118.5 Å²	118.5	85%	0.846	72%	0.716	S	S	*	*			trans	-66.4	142	179.7	-73.3	-164.3	-5.8	0	0	113.1	K236	Q234-K236 PolarHBondContact O-N 2.87Å
235	P	30.5	Very low	32.3	Very low	127 Å²	127	122 Å²	122	83%	0.825	73%	0.73	S	S	*	*			trans	-72.8	113.2	-178.1	29.3	-34.7	0	0	0	111.8
236	K	32.5	Very low	32.3	Very low	204 Å²	204	120.7 Å²	120.7	89%	0.887	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-81.7	136.5	168.1	-69.4	-176.4	178.5	177.9	0	110.1	Q234	Q234-K236 PolarHBondContact O-N 2.87Å
237	R	31.9	Very low	32.3	Very low	230 Å²	230	124.6 Å²	124.6	87%	0.868	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65	147.6	-177.6	-65.8	-179.6	-179.2	173.8	-0	111.9
238	P	31.3	Very low	32.2	Very low	117 Å²	117	131 Å²	131	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-80.3	147.1	178.8	33.1	-35.3	0	0	0	112.6
239	H	34.5	Very low	32.3	Very low	183 Å²	183	136.6 Å²	136.6	85%	0.847	80%	0.801	S	S	*	*			trans	-133.4	154.2	159.7	-74.9	-62.5	0	0	0	109.5
240	P	33	Very low	32.3	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	81%	0.814	S	S	*	*			trans	-110.5	169.5	-151.2	40.8	-35	0	0	0	115.9
241	M	29	Very low	32.2	Very low	187 Å²	187	136.1 Å²	136.1	92%	0.921	81%	0.813	S	S	*	*			trans	68.6	153.9	171.8	-62.1	172.4	59.1	0	0	115.3
242	A	31.2	Very low	32.6	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	82%	0.816	S	S	*	*			cis	-133.1	171.5	-0.9	0	0	0	0	0	111
243	G	28.6	Very low	32.7	Very low	84 Å²	84	141.9 Å²	141.9	87%	0.866	82%	0.817	S	S	*	*			trans	-83.9	156.8	-175.6	0	0	0	0	0	115.7
244	A	34.2	Very low	32.8	Very low	98 Å²	98	139.1 Å²	139.1	81%	0.81	81%	0.811	S	S	*	*			trans	-139.9	149.7	167.5	0	0	0	0	0	109.9
245	P	33.8	Very low	33.3	Very low	128 Å²	128	136.5 Å²	136.5	83%	0.831	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-88	163.5	-167.5	34.9	-36.7	0	0	0	114.7
246	A	33.7	Very low	33.3	Very low	89 Å²	89	136.5 Å²	136.5	74%	0.736	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65	143.1	-179.6	0	0	0	0	0	113.6
247	P	37.1	Very low	33.2	Very low	131 Å²	131	130.7 Å²	130.7	85%	0.851	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.8	137.3	179.8	30.3	-34.8	0	0	0	112.2
248	K	31	Very low	33	Very low	203 Å²	203	129 Å²	129	88%	0.883	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.8	133.9	169.6	-63.6	-179.6	-179.7	179.4	0	109.7
249	L	36.4	Very low	33	Very low	171 Å²	171	128.4 Å²	128.4	90%	0.895	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.3	138.8	169.8	-82.1	159.2	0	0	0	110.6
250	P	36.3	Very low	32.6	Very low	95 Å²	95	123.8 Å²	123.8	62%	0.617	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84.5	141.2	-176.3	33	-34.7	0	0	0	113	F252	P250-F252 HydrophobicContact CB-CE2 4.43Å; P250-F252 HydrophobicContact CG-CE2 4.07Å
251	S	27.2	Very low	32.4	Very low	118 Å²	118	122.4 Å²	122.4	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-82.6	137	168.5	53.3	0	0	0	0	111.6
252	F	38	Very low	32.3	Very low	186 Å²	186	117.1 Å²	117.1	82%	0.816	81%	0.806	S	S	*	*			trans	-116.6	148.7	171.7	-77.7	-82.8	0	0	0	112	P250	P250-F252 HydrophobicContact CB-CE2 4.43Å; P250-F252 HydrophobicContact CG-CE2 4.07Å
253	P	35.4	Very low	32.3	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	82%	0.815	S	S	*	*			trans	-96.8	161.5	-176.4	38.7	-36.1	0	0	0	114.1
254	G	32	Very low	32.4	Very low	67 Å²	67	123.7 Å²	123.7	69%	0.691	81%	0.812	S	S	*	*			trans	-93.6	-157.1	155.9	0	0	0	0	0	111.1
255	P	42	Very low	32.2	Very low	126 Å²	126	125.1 Å²	125.1	82%	0.818	82%	0.815	S	S	*	*			cis	-112.1	-164.2	-3.9	21.8	2.2	0	0	0	112.1
256	V	30.4	Very low	32.2	Very low	127 Å²	127	123.2 Å²	123.2	77%	0.77	81%	0.81	S	S	*	*				-176.3	147.9	60.4	163.4	0	0	0	0	112.6
257	A	31.4	Very low	32.2	Very low	81 Å²	81	127 Å²	127	67%	0.669	82%	0.818	S	S	*	*			trans	66	124.7	153.1	0	0	0	0	0	125.7
258	Q	27.2	Very low	32.1	Very low	194 Å²	194	130.5 Å²	130.5	91%	0.907	82%	0.819	S	S	*	*				44.9	117.2	129.7	-60.8	-175.3	-2.7	0	0	122.9
259	A	31.2	Very low	32.4	Very low	105 Å²	105	125.3 Å²	125.3	87%	0.868	81%	0.807	S	S	*	*				-153.8	159.8	113.6	0	0	0	0	0	109.8
260	G	25.8	Very low	32.4	Very low	87 Å²	87	126.2 Å²	126.2	90%	0.897	80%	0.803	S	S	*	*			trans	-91.5	154.3	-175.6	0	0	0	0	0	114.6
261	G	28.8	Very low	32.7	Very low	83 Å²	83	125.9 Å²	125.9	86%	0.856	81%	0.809	S	S	*	*			trans	-175.3	93.9	174.8	0	0	0	0	0	111.3
262	G	27.4	Very low	33.2	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	80%	0.799	S	S	*	*			trans	-88.3	113.3	-176.5	0	0	0	0	0	112.9
263	F	31.5	Very low	33.8	Very low	219 Å²	219	120.5 Å²	120.5	96%	0.961	78%	0.783	S	S	*	*			trans	-142.2	108.2	155.3	-99.4	-78.4	0	0	0	109
264	A	29.1	Very low	35	Very low	96 Å²	96	116.6 Å²	116.6	79%	0.793	76%	0.764	S	S	*	*			trans	-102.9	137.8	176.6	0	0	0	0	0	110.3
265	S	31.3	Very low	36.6	Very low	127 Å²	127	118.3 Å²	118.3	89%	0.888	76%	0.757	S	S	*	*			trans	61.1	99.9	168.2	-160.9	0	0	0	0	118.1
266	A	32.9	Very low	38.3	Very low	88 Å²	88	117.4 Å²	117.4	73%	0.727	75%	0.746	S	S	*	*				-165.3	157.7	125.5	0	0	0	0	0	111
267	L	33.4	Very low	40.5	Very low	170 Å²	170	116.3 Å²	116.3	89%	0.89	73%	0.732	S	S	*	*			trans	62.5	57.7	163.5	-54.8	-178.7	0	0	0	118.5
268	K	35.6	Very low	42.9	Very low	203 Å²	203	112.6 Å²	112.6	88%	0.883	70%	0.702	S	S	*	*			trans	-147.2	85.5	146.3	-140.6	-179.4	-172.2	-175.1	0	111.6
269	P	37.5	Very low	45.7	Very low	95 Å²	95	105.5 Å²	105.5	62%	0.617	68%	0.676	S	S	*	*			trans	-143.6	105.6	132.8	33.1	-15.8	0	0	0	111.4
270	K	36.1	Very low	48.5	Very low	189 Å²	189	102 Å²	102	82%	0.822	65%	0.647	S	S	*	*	S	Bend	trans	-137	-24.3	167.4	-167	168.2	-177.5	177.5	0	113.6
271	A	41.7	Very low	51.6	Low	89 Å²	89	97.9 Å²	97.9	74%	0.736	61%	0.605	S	S	*	*	H	α-helix	trans	-75.1	-41.9	172.5	0	0	0	0	0	112.5	N275	A271-N275 PolarHBondContact O-N 2.93Å
272	E	39.4	Very low	54.5	Low	132 Å²	132	95.1 Å²	95.1	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-50.5	-177.5	-67.1	164.6	154.2	0	0	111.5	G274 N275 D276	E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.84Å; E272-N275 WeakPolarHBondContact O-CA 3.04Å; E272-N275 WeakPolarHBondContact O-CB 3.37Å; E272-N275 PolarHBondContact O-N 2.94Å; E272-D276 PolarHBondContact O-N 2.98Å
273	A	50.3	Low	57.7	Low	58 Å²	58	96.9 Å²	96.9	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-56.9	-37.5	179.2	0	0	0	0	0	113.8	N275 D276 E277	A273-N275 VanDerWaalsContact C-N 3.3Å; A273-N275 PolarHBondContact O-N 2.95Å; A273-D276 PolarHBondContact O-N 3.34Å; A273-E277 WeakPolarHBondContact O-CB 3.43Å; A273-E277 PolarHBondContact O-N 2.92Å
274	G	59.4	Low	60.8	Low	37 Å²	37	88.1 Å²	88.1	38%	0.381	53%	0.525	S	S	.	.	H	α-helix	trans	-72.5	-21.5	176.2	0	0	0	0	0	114	E272 A278	E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.84Å; G274-A278 WeakPolarHBondContact O-CB 3.4Å; G274-A278 PolarHBondContact O-N 2.96Å
275	N	67	Low	64	Low	102 Å²	102	83.7 Å²	83.7	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-79.5	-41.5	172.6	-174.1	82.9	0	0	0	111.1	A271 E272 A273 A278 A279	A271-N275 PolarHBondContact O-N 2.93Å; E272-N275 WeakPolarHBondContact O-CA 3.04Å; E272-N275 WeakPolarHBondContact O-CB 3.37Å; E272-N275 PolarHBondContact O-N 2.94Å; A273-N275 VanDerWaalsContact C-N 3.3Å; A273-N275 PolarHBondContact O-N 2.95Å; N275-A278 PolarHBondContact O-N 3.49Å; N275-A279 WeakPolarHBondContact O-CB 3.4Å; N275-A279 PolarHBondContact O-N 3.2Å
276	D	77.1	Confident	67.1	Low	108 Å²	108	78.1 Å²	78.1	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-63.8	-41.7	176.3	-65.7	-17.8	0	0	0	111.9	E272 A273 A279 A280	E272-D276 PolarHBondContact O-N 2.98Å; A273-D276 PolarHBondContact O-N 3.34Å; D276-A279 PolarHBondContact O-N 2.97Å; D276-A280 WeakPolarHBondContact O-CB 3.37Å; D276-A280 PolarHBondContact O-N 3.44Å
277	E	77.3	Confident	70.1	Confident	103 Å²	103	77.6 Å²	77.6	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.6	-178.9	161	-131.5	0	0	112.1	A273 A280 A281	A273-E277 WeakPolarHBondContact O-CB 3.43Å; A273-E277 PolarHBondContact O-N 2.92Å; E277-A280 PolarHBondContact O-N 3.12Å; E277-A281 PolarHBondContact O-N 3.45Å
278	A	81.6	Confident	73.2	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.033	39%	0.39	C	S	.	.	H	α-helix	trans	-67.5	-40.3	176.7	0	0	0	0	0	112.3	G274 N275 A281 V282 L321 L322	G274-A278 WeakPolarHBondContact O-CB 3.4Å; G274-A278 PolarHBondContact O-N 2.96Å; N275-A278 PolarHBondContact O-N 3.49Å; A278-A281 PolarHBondContact O-N 2.81Å; A278-V282 WeakPolarHBondContact O-CG2 3.45Å; A278-V282 PolarHBondContact O-N 2.91Å; A278-V282 VanDerWaalsContact O-N 3.13Å; A278-L321 HydrophobicContact CB-CD2 3.79Å; A278-L322 HydrophobicContact CB-CD2 3.77Å; A278-L322 HydrophobicContact CB-CG 4.1Å
279	A	86.2	Confident	76.2	Confident	44 Å²	44	59.8 Å²	59.8	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-48.2	173.1	0	0	0	0	0	111.4	N275 D276 A281 V282 D283	N275-A279 WeakPolarHBondContact O-CB 3.4Å; N275-A279 PolarHBondContact O-N 3.2Å; D276-A279 PolarHBondContact O-N 2.97Å; A279-A281 PolarHBondContact O-N 2.92Å; A279-V282 PolarHBondContact O-N 2.87Å; A279-D283 PolarHBondContact O-N 3.13Å
280	A	90	Very high	79	Confident	32 Å²	32	61.3 Å²	61.3	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-24.2	178.3	0	0	0	0	0	113.7	D276 E277 Q284	D276-A280 WeakPolarHBondContact O-CB 3.37Å; D276-A280 PolarHBondContact O-N 3.44Å; E277-A280 PolarHBondContact O-N 3.12Å; A280-Q284 WeakPolarHBondContact O-CB 3.41Å; A280-Q284 WeakPolarHBondContact O-CG 3.12Å; A280-Q284 PolarHBondContact O-N 2.82Å
281	A	89.7	Confident	82	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-75.1	-38.1	171.1	0	0	0	0	0	112.4	E277 A278 A279 Q284 L285 L307 L311	E277-A281 PolarHBondContact O-N 3.45Å; A278-A281 PolarHBondContact O-N 2.81Å; A279-A281 PolarHBondContact O-N 2.92Å; A281-Q284 PolarHBondContact O-N 2.92Å; A281-L285 WeakPolarHBondContact O-CB 3.27Å; A281-L285 PolarHBondContact O-N 3.23Å; A281-L307 HydrophobicContact CB-CD2 4.01Å; A281-L311 HydrophobicContact CB-CD2 3.86Å
282	V	90.8	Very high	84.5	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-43	174.8	176.5	0	0	0	0	111.5	A278 A279 Q284 L285 A286 L321 L527 F530	A278-V282 WeakPolarHBondContact O-CG2 3.45Å; A278-V282 PolarHBondContact O-N 2.91Å; A278-V282 VanDerWaalsContact O-N 3.13Å; A279-V282 PolarHBondContact O-N 2.87Å; V282-Q284 VanDerWaalsContact C-N 3.33Å; V282-Q284 PolarHBondContact O-N 3.44Å; V282-L285 PolarHBondContact O-N 3.19Å; V282-A286 WeakPolarHBondContact O-CB 3.35Å; V282-A286 PolarHBondContact O-N 2.86Å; V282-L321 HydrophobicContact CG2-CD1 4.11Å; V282-L321 HydrophobicContact CG2-CG 4.33Å; V282-L527 HydrophobicContact CG1-CD1 4.39Å; V282-F530 HydrophobicContact CG1-CE1 3.98Å; V282-F530 HydrophobicContact CG1-CZ 4.36Å; V282-F530 HydrophobicContact CG2-CE1 3.8Å; V282-F530 HydrophobicContact CG2-CE2 4.36Å; V282-F530 HydrophobicContact CG2-CZ 3.44Å; V282-F530 VanDerWaalsContact CG2-CZ 3.44Å
283	D	93.9	Very high	87.1	Confident	113 Å²	113	47.5 Å²	47.5	60%	0.604	27%	0.266	S	S	*	.	H	α-helix	trans	-61.1	-41.8	176	-73.7	-30	0	0	0	111.8	A279 A286 E287	A279-D283 PolarHBondContact O-N 3.13Å; D283-A286 PolarHBondContact O-N 3.39Å; D283-E287 WeakPolarHBondContact O-CB 3.36Å; D283-E287 PolarHBondContact O-N 2.8Å
284	Q	95.9	Very high	89.2	Confident	35 Å²	35	48.8 Å²	48.8	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-38.1	174.9	-80.5	-173.6	-29.5	0	0	112.8	A280 A281 V282 E287 A288 I303 L307 R310	A280-Q284 WeakPolarHBondContact O-CB 3.41Å; A280-Q284 WeakPolarHBondContact O-CG 3.12Å; A280-Q284 PolarHBondContact O-N 2.82Å; A281-Q284 PolarHBondContact O-N 2.92Å; V282-Q284 VanDerWaalsContact C-N 3.33Å; V282-Q284 PolarHBondContact O-N 3.44Å; Q284-E287 PolarHBondContact O-N 2.99Å; Q284-A288 WeakPolarHBondContact O-CB 3.34Å; Q284-A288 PolarHBondContact O-N 2.68Å; Q284-I303 HydrophobicContact CB-CG2 3.74Å; Q284-I303 HydrophobicContact CG-CG2 4.13Å; Q284-I303 WeakPolarHBondContact O-CG2 3.38Å; Q284-L307 HydrophobicContact CB-CD1 4.26Å; Q284-L307 HydrophobicContact CB-CD2 3.89Å; Q284-L307 HydrophobicContact CB-CG 4.16Å; Q284-R310 VanDerWaalsContact CD-NH1 3.25Å
285	L	96.2	Very high	90.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-42.9	174.2	176.7	64.3	0	0	0	111.6	A281 V282 A288 A289 F328 L332 L526 F530	A281-L285 WeakPolarHBondContact O-CB 3.27Å; A281-L285 PolarHBondContact O-N 3.23Å; V282-L285 PolarHBondContact O-N 3.19Å; L285-A288 PolarHBondContact O-N 3.22Å; L285-A289 PolarHBondContact O-N 3.44Å; L285-A289 VanDerWaalsContact O-N 3.1Å; L285-F328 HydrophobicContact CD1-CB 4.04Å; L285-F328 HydrophobicContact CD2-CB 3.58Å; L285-F328 HydrophobicContact CD2-CG 4.45Å; L285-F328 HydrophobicContact CG-CB 4.4Å; L285-L332 HydrophobicContact CD1-CD2 4.4Å; L285-L526 HydrophobicContact CD1-CD2 4.22Å; L285-L526 HydrophobicContact CD2-CD2 4.31Å; L285-L526 HydrophobicContact CG-CD2 3.97Å; L285-F530 HydrophobicContact CD2-CD2 3.79Å; L285-F530 HydrophobicContact CD2-CE2 4.07Å; L285-F530 HydrophobicContact CD2-CG 4.46Å
286	A	96.2	Very high	92.1	Very high	10 Å²	10	48 Å²	48	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-39.8	175.8	0	0	0	0	0	112.1	V282 D283 A289 R290	V282-A286 WeakPolarHBondContact O-CB 3.35Å; V282-A286 PolarHBondContact O-N 2.86Å; D283-A286 PolarHBondContact O-N 3.39Å; A286-A289 WeakPolarHBondContact O-CB 3.42Å; A286-A289 PolarHBondContact O-N 2.64Å; A286-R290 PolarHBondContact O-N 3.33Å
287	E	97.9	Very high	92.9	Very high	76 Å²	76	44.1 Å²	44.1	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-39	177	-169.1	62.1	-169.9	0	0	112.6	D283 Q284 A289 R290 L291 I303	D283-E287 WeakPolarHBondContact O-CB 3.36Å; D283-E287 PolarHBondContact O-N 2.8Å; Q284-E287 PolarHBondContact O-N 2.99Å; E287-A289 PolarHBondContact O-N 2.95Å; E287-R290 PolarHBondContact O-N 2.94Å; E287-R290 VanDerWaalsContact O-N 3.11Å; E287-R290 WeakPolarHBondContact OE2-CD 3.37Å; E287-R290 IonicContact OE2-CZ 3.82Å; E287-R290 IonicContact OE2-NH1 2.66Å; E287-R290 PolarHBondContact OE2-NH1 3.16Å; E287-L291 PolarHBondContact O-N 3.45Å; E287-I303 HydrophobicContact CB-CD1 4.03Å; E287-I303 HydrophobicContact CG-CD1 3.76Å
288	A	98.2	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-37.7	171.6	0	0	0	0	0	111.5	Q284 L285 A292 A300 I303 L304 L332	Q284-A288 WeakPolarHBondContact O-CB 3.34Å; Q284-A288 PolarHBondContact O-N 2.68Å; L285-A288 PolarHBondContact O-N 3.22Å; A288-A292 WeakPolarHBondContact O-CB 3.46Å; A288-A292 PolarHBondContact O-N 3.49Å; A288-A300 WeakPolarHBondContact O-CB 3.5Å; A288-I303 HydrophobicContact CB-CB 3.97Å; A288-I303 HydrophobicContact CB-CG2 4.17Å; A288-L304 HydrophobicContact CB-CD2 4.39Å; A288-L304 HydrophobicContact CB-CG 4.44Å; A288-L332 HydrophobicContact CB-CD2 3.77Å
289	A	97.4	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.4	-34.5	175.9	0	0	0	0	0	113	L285 A286 E287 E293 L332 L526	L285-A289 PolarHBondContact O-N 3.44Å; L285-A289 VanDerWaalsContact O-N 3.1Å; A286-A289 WeakPolarHBondContact O-CB 3.42Å; A286-A289 PolarHBondContact O-N 2.64Å; E287-A289 PolarHBondContact O-N 2.95Å; A289-E293 WeakPolarHBondContact O-CB 3.41Å; A289-E293 PolarHBondContact O-N 2.99Å; A289-L332 HydrophobicContact CB-CD2 4.33Å; A289-L526 HydrophobicContact CB-CB 4.29Å; A289-L526 HydrophobicContact CB-CD1 3.88Å; A289-L526 HydrophobicContact CB-CD2 4.15Å; A289-L526 HydrophobicContact CB-CG 4.32Å
290	R	97.4	Very high	95.1	Very high	126 Å²	126	44.9 Å²	44.9	48%	0.475	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-43.7	173.1	-69.6	-174.9	-162.9	102.8	8.2	112.3	A286 E287 A292 E293 A294	A286-R290 PolarHBondContact O-N 3.33Å; E287-R290 PolarHBondContact O-N 2.94Å; E287-R290 VanDerWaalsContact O-N 3.11Å; E287-R290 WeakPolarHBondContact OE2-CD 3.37Å; E287-R290 IonicContact OE2-CZ 3.82Å; E287-R290 IonicContact OE2-NH1 2.66Å; E287-R290 PolarHBondContact OE2-NH1 3.16Å; R290-A292 VanDerWaalsContact C-N 3.34Å; R290-E293 PolarHBondContact O-N 3.08Å; R290-A294 WeakPolarHBondContact O-CB 3.42Å; R290-A294 PolarHBondContact O-N 2.9Å
291	L	97.6	Very high	95.4	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-41.8	176.4	-69.4	173.4	0	0	0	111.1	E287 A294 G295 D296 A300 I303	E287-L291 PolarHBondContact O-N 3.45Å; L291-A294 CarbonylContact O-C 3.52Å; L291-A294 PolarHBondContact O-N 3.03Å; L291-G295 PolarHBondContact O-N 2.84Å; L291-D296 HydrophobicContact CB-CB 4.3Å; L291-D296 HydrophobicContact CD2-CB 4.33Å; L291-D296 CarbonylContact O-C 3.59Å; L291-D296 WeakPolarHBondContact O-CA 3.27Å; L291-D296 PolarHBondContact O-N 2.88Å; L291-A300 HydrophobicContact CB-CB 3.88Å; L291-I303 HydrophobicContact CD1-CD1 3.64Å; L291-I303 HydrophobicContact CD1-CG1 4Å
292	A	95.8	Very high	95.8	Very high	3 Å²	3	52 Å²	52	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-45.1	171.7	0	0	0	0	0	112.6	A288 R290 A294 G295 A300 L332 L336 F522	A288-A292 WeakPolarHBondContact O-CB 3.46Å; A288-A292 PolarHBondContact O-N 3.49Å; R290-A292 VanDerWaalsContact C-N 3.34Å; A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.39Å; A292-G295 PolarHBondContact O-N 2.86Å; A292-G295 VanDerWaalsContact O-N 3.08Å; A292-A300 HydrophobicContact CB-CB 4.23Å; A292-L332 HydrophobicContact CB-CD1 4.27Å; A292-L336 HydrophobicContact CB-CD1 4.3Å; A292-L336 HydrophobicContact CB-CD2 3.89Å; A292-L336 HydrophobicContact CB-CG 4.5Å; A292-F522 HydrophobicContact CB-CD1 4.35Å; A292-F522 HydrophobicContact CB-CE1 3.86Å
293	E	93.8	Very high	96.1	Very high	77 Å²	77	51.4 Å²	51.4	36%	0.36	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-33.5	175.7	-178.6	153.4	-137.1	0	0	112.8	A289 R290 G295 S521 F522 S523	A289-E293 WeakPolarHBondContact O-CB 3.41Å; A289-E293 PolarHBondContact O-N 2.99Å; R290-E293 PolarHBondContact O-N 3.08Å; E293-G295 PolarHBondContact O-N 2.79Å; E293-S521 WeakPolarHBondContact OE1-CA 3.39Å; E293-S521 WeakPolarHBondContact OE1-CB 3.25Å; E293-S521 PolarHBondContact OE1-OG 3.17Å; E293-S521 PolarHBondContact OE2-OG 2.84Å; E293-F522 HydrophobicContact CB-CB 4.22Å; E293-F522 HydrophobicContact CB-CD1 4.22Å; E293-F522 VanDerWaalsContact CD-N 3.34Å; E293-F522 HydrophobicContact CG-CB 4.26Å; E293-F522 PolarHBondContact OE1-N 3.46Å; E293-F522 PolarHBondContact OE2-N 3.3Å; E293-S523 VanDerWaalsContact OE2-CB 3.26Å; E293-S523 WeakPolarHBondContact OE2-CB 3.24Å; E293-S523 PolarHBondContact OE2-N 2.82Å; E293-S523 PolarHBondContact OE2-OG 3.09Å
294	A	94.2	Very high	96.2	Very high	85 Å²	85	46.3 Å²	46.3	70%	0.702	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	0.4	174.2	0	0	0	0	0	114.1	R290 L291 A292 D296	R290-A294 WeakPolarHBondContact O-CB 3.42Å; R290-A294 PolarHBondContact O-N 2.9Å; L291-A294 CarbonylContact O-C 3.52Å; L291-A294 PolarHBondContact O-N 3.03Å; A292-A294 VanDerWaalsContact C-N 3.3Å; A292-A294 PolarHBondContact O-N 3.39Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.35Å
295	G	92.5	Very high	96.2	Very high	60 Å²	60	46.8 Å²	46.8	62%	0.619	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1.9	-177.2	0	0	0	0	0	115.2	L291 A292 E293 A297	L291-G295 PolarHBondContact O-N 2.84Å; A292-G295 PolarHBondContact O-N 2.86Å; A292-G295 VanDerWaalsContact O-N 3.08Å; E293-G295 PolarHBondContact O-N 2.79Å; G295-A297 PolarHBondContact O-N 2.83Å
296	D	95.2	Very high	96.1	Very high	63 Å²	63	51 Å²	51	34%	0.337	27%	0.274	S	S	.	.			trans	-78.8	72.6	172.2	-176.8	18.4	0	0	0	111.6	L291 A294 F298 G299 A300	L291-D296 HydrophobicContact CB-CB 4.3Å; L291-D296 HydrophobicContact CD2-CB 4.33Å; L291-D296 CarbonylContact O-C 3.59Å; L291-D296 WeakPolarHBondContact O-CA 3.27Å; L291-D296 PolarHBondContact O-N 2.88Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.35Å; D296-F298 PolarHBondContact O-N 2.82Å; D296-F298 WeakPolarHBondContact OD1-CA 3.3Å; D296-F298 WeakPolarHBondContact OD1-CB 3.39Å; D296-F298 PolarHBondContact OD1-N 2.89Å; D296-G299 VanDerWaalsContact CG-N 3.29Å; D296-G299 PolarHBondContact OD1-N 2.84Å; D296-G299 VanDerWaalsContact OD2-CA 3.27Å; D296-G299 WeakPolarHBondContact OD2-CA 3.35Å; D296-G299 PolarHBondContact OD2-N 3.49Å; D296-A300 VanDerWaalsContact O-CB 3.24Å; D296-A300 WeakPolarHBondContact O-CB 3.48Å; D296-A300 PolarHBondContact O-N 2.94Å; D296-A300 VanDerWaalsContact O-N 3.1Å
297	A	94	Very high	96	Very high	26 Å²	26	50.6 Å²	50.6	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-9.3	170.6	0	0	0	0	0	113	G295 R301 L336	G295-A297 PolarHBondContact O-N 2.83Å; A297-R301 VanDerWaalsContact O-CD 3.28Å; A297-R301 WeakPolarHBondContact O-CD 3.35Å; A297-R301 WeakPolarHBondContact O-CG 3.45Å; A297-R301 VanDerWaalsContact O-CZ 3.25Å; A297-R301 PolarHBondContact O-NE 2.81Å; A297-R301 PolarHBondContact O-NH1 3.17Å; A297-L336 HydrophobicContact CB-CD2 3.91Å
298	F	95.7	Very high	95.7	Very high	158 Å²	158	51.1 Å²	51.1	69%	0.693	28%	0.276	S	S	*	.	H	α-helix	trans	-84.3	-58.5	175.1	-178.5	-92.1	0	0	0	110.6	D296 A300 R301 E302	D296-F298 PolarHBondContact O-N 2.82Å; D296-F298 WeakPolarHBondContact OD1-CA 3.3Å; D296-F298 WeakPolarHBondContact OD1-CB 3.39Å; D296-F298 PolarHBondContact OD1-N 2.89Å; F298-A300 VanDerWaalsContact C-N 3.3Å; F298-A300 PolarHBondContact O-N 2.97Å; F298-R301 PolarHBondContact O-N 3.4Å; F298-R301 VanDerWaalsContact O-N 3.09Å; F298-E302 PolarHBondContact O-N 3.23Å
299	G	97.7	Very high	95.2	Very high	8 Å²	8	61 Å²	61	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-40.6	177.2	0	0	0	0	0	112.2	D296 R301 E302 I303	D296-G299 VanDerWaalsContact CG-N 3.29Å; D296-G299 PolarHBondContact OD1-N 2.84Å; D296-G299 VanDerWaalsContact OD2-CA 3.27Å; D296-G299 WeakPolarHBondContact OD2-CA 3.35Å; D296-G299 PolarHBondContact OD2-N 3.49Å; G299-R301 PolarHBondContact O-N 3.13Å; G299-E302 WeakPolarHBondContact O-CB 3.3Å; G299-E302 PolarHBondContact O-N 3.23Å; G299-E302 VanDerWaalsContact O-N 3.09Å; G299-I303 WeakPolarHBondContact O-CG1 3.41Å; G299-I303 PolarHBondContact O-N 2.79Å
300	A	97.6	Very high	94.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.1	-46.1	173.4	0	0	0	0	0	112.6	A288 L291 A292 D296 F298 E302 I303 L304 L336	A288-A300 WeakPolarHBondContact O-CB 3.5Å; L291-A300 HydrophobicContact CB-CB 3.88Å; A292-A300 HydrophobicContact CB-CB 4.23Å; D296-A300 VanDerWaalsContact O-CB 3.24Å; D296-A300 WeakPolarHBondContact O-CB 3.48Å; D296-A300 PolarHBondContact O-N 2.94Å; D296-A300 VanDerWaalsContact O-N 3.1Å; F298-A300 VanDerWaalsContact C-N 3.3Å; F298-A300 PolarHBondContact O-N 2.97Å; A300-E302 VanDerWaalsContact C-N 3.33Å; A300-E302 PolarHBondContact O-N 3.48Å; A300-I303 PolarHBondContact O-N 2.86Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.4Å; A300-L304 VanDerWaalsContact O-N 3.1Å; A300-L336 HydrophobicContact CB-CD1 3.65Å
301	R	96.3	Very high	94.1	Very high	88 Å²	88	60.3 Å²	60.3	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-32.8	176	-71.3	176.8	-158.8	118.5	-10.7	112.3	A297 F298 G299 L304 A305 L336	A297-R301 VanDerWaalsContact O-CD 3.28Å; A297-R301 WeakPolarHBondContact O-CD 3.35Å; A297-R301 WeakPolarHBondContact O-CG 3.45Å; A297-R301 VanDerWaalsContact O-CZ 3.25Å; A297-R301 PolarHBondContact O-NE 2.81Å; A297-R301 PolarHBondContact O-NH1 3.17Å; F298-R301 PolarHBondContact O-N 3.4Å; F298-R301 VanDerWaalsContact O-N 3.09Å; G299-R301 PolarHBondContact O-N 3.13Å; R301-L304 PolarHBondContact O-N 3.07Å; R301-A305 WeakPolarHBondContact O-CB 3.33Å; R301-A305 PolarHBondContact O-N 3.34Å; R301-L336 HydrophobicContact CG-CB 4.24Å; R301-L336 HydrophobicContact CG-CD1 4.32Å; R301-L336 PolarHBondContact NE-O 3.08Å; R301-L336 PolarHBondContact NH2-O 2.83Å
302	E	97	Very high	93.1	Very high	96 Å²	96	60.1 Å²	60.1	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-41.7	173.5	-153.9	-137.2	131.4	0	0	111.4	F298 G299 A300 A305 R306	F298-E302 PolarHBondContact O-N 3.23Å; G299-E302 WeakPolarHBondContact O-CB 3.3Å; G299-E302 PolarHBondContact O-N 3.23Å; G299-E302 VanDerWaalsContact O-N 3.09Å; A300-E302 VanDerWaalsContact C-N 3.33Å; A300-E302 PolarHBondContact O-N 3.48Å; E302-A305 PolarHBondContact O-N 3.47Å; E302-R306 WeakPolarHBondContact O-CG 3.43Å; E302-R306 PolarHBondContact O-N 3.4Å; E302-R306 IonicContact OE1-CZ 2.68Å; E302-R306 IonicContact OE1-NH1 2.7Å; E302-R306 PolarHBondContact OE1-NH1 2.89Å; E302-R306 IonicContact OE2-NH1 3.74Å; E302-R306 PolarHBondContact OE2-NH1 3.22Å
303	I	97.7	Very high	91.9	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.051	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-44.8	175.1	-45	-145.5	0	0	0	111	Q284 E287 A288 L291 G299 A300 A305 R306 L307	Q284-I303 HydrophobicContact CB-CG2 3.74Å; Q284-I303 HydrophobicContact CG-CG2 4.13Å; Q284-I303 WeakPolarHBondContact O-CG2 3.38Å; E287-I303 HydrophobicContact CB-CD1 4.03Å; E287-I303 HydrophobicContact CG-CD1 3.76Å; A288-I303 HydrophobicContact CB-CB 3.97Å; A288-I303 HydrophobicContact CB-CG2 4.17Å; L291-I303 HydrophobicContact CD1-CD1 3.64Å; L291-I303 HydrophobicContact CD1-CG1 4Å; G299-I303 WeakPolarHBondContact O-CG1 3.41Å; G299-I303 PolarHBondContact O-N 2.79Å; A300-I303 PolarHBondContact O-N 2.86Å; I303-A305 VanDerWaalsContact C-N 3.29Å; I303-A305 PolarHBondContact O-N 3.48Å; I303-R306 VanDerWaalsContact CG1-NH2 3.32Å; I303-R306 PolarHBondContact O-N 2.64Å; I303-R306 VanDerWaalsContact O-N 3.14Å; I303-L307 HydrophobicContact CG2-CD1 4.49Å; I303-L307 PolarHBondContact O-N 2.96Å
304	L	96	Very high	90.9	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-38.8	175.9	-65.3	172.3	0	0	0	112.1	A288 A300 R301 L307 N308 K329 L332 R333 L336	A288-L304 HydrophobicContact CB-CD2 4.39Å; A288-L304 HydrophobicContact CB-CG 4.44Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.4Å; A300-L304 VanDerWaalsContact O-N 3.1Å; R301-L304 PolarHBondContact O-N 3.07Å; L304-L307 HydrophobicContact CD2-CD1 4.48Å; L304-L307 PolarHBondContact O-N 3.26Å; L304-N308 PolarHBondContact O-N 2.92Å; L304-K329 HydrophobicContact CD2-CB 4.21Å; L304-K329 HydrophobicContact CD2-CG 3.72Å; L304-L332 HydrophobicContact CD1-CB 4.4Å; L304-L332 HydrophobicContact CD1-CG 4.17Å; L304-L332 HydrophobicContact CD2-CB 4.27Å; L304-L332 HydrophobicContact CD2-CD2 4.21Å; L304-L332 HydrophobicContact CD2-CG 4.39Å; L304-R333 HydrophobicContact CD1-CB 4.11Å; L304-L336 HydrophobicContact CD1-CD1 3.94Å
305	A	95.1	Very high	89.6	Confident	46 Å²	46	62.3 Å²	62.3	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-38.7	175.1	0	0	0	0	0	112.3	R301 E302 I303 N308 Y309	R301-A305 WeakPolarHBondContact O-CB 3.33Å; R301-A305 PolarHBondContact O-N 3.34Å; E302-A305 PolarHBondContact O-N 3.47Å; I303-A305 VanDerWaalsContact C-N 3.29Å; I303-A305 PolarHBondContact O-N 3.48Å; A305-N308 WeakPolarHBondContact O-CB 3.31Å; A305-N308 PolarHBondContact O-N 2.95Å; A305-Y309 WeakPolarHBondContact O-CD2 3.42Å; A305-Y309 WeakPolarHBondContact O-CE2 3.42Å
306	R	94.9	Very high	88.5	Confident	92 Å²	92	62.5 Å²	62.5	35%	0.347	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-36	174.2	-64.4	-175.8	-49.5	-120.4	4.4	112.4	E302 I303 N308 Y309	E302-R306 WeakPolarHBondContact O-CG 3.43Å; E302-R306 PolarHBondContact O-N 3.4Å; E302-R306 IonicContact OE1-CZ 2.68Å; E302-R306 IonicContact OE1-NH1 2.7Å; E302-R306 PolarHBondContact OE1-NH1 2.89Å; E302-R306 IonicContact OE2-NH1 3.74Å; E302-R306 PolarHBondContact OE2-NH1 3.22Å; I303-R306 VanDerWaalsContact CG1-NH2 3.32Å; I303-R306 PolarHBondContact O-N 2.64Å; I303-R306 VanDerWaalsContact O-N 3.14Å; R306-N308 PolarHBondContact O-N 3Å; R306-Y309 PolarHBondContact O-N 3.21Å
307	L	94.2	Very high	87.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-23.7	176.9	-77.5	169.5	0	0	0	113.5	A281 Q284 I303 L304 Y309 R310 L311 K329	A281-L307 HydrophobicContact CB-CD2 4.01Å; Q284-L307 HydrophobicContact CB-CD1 4.26Å; Q284-L307 HydrophobicContact CB-CD2 3.89Å; Q284-L307 HydrophobicContact CB-CG 4.16Å; I303-L307 HydrophobicContact CG2-CD1 4.49Å; I303-L307 PolarHBondContact O-N 2.96Å; L304-L307 HydrophobicContact CD2-CD1 4.48Å; L304-L307 PolarHBondContact O-N 3.26Å; L307-Y309 PolarHBondContact O-N 3.01Å; L307-R310 PolarHBondContact O-N 2.93Å; L307-R310 VanDerWaalsContact O-N 3.08Å; L307-L311 PolarHBondContact O-N 2.61Å; L307-K329 HydrophobicContact CB-CD 3.68Å; L307-K329 HydrophobicContact CB-CG 4.41Å
308	N	90.6	Very high	86.7	Confident	87 Å²	87	62.9 Å²	62.9	47%	0.465	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.9	173.6	-66.7	-27.2	0	0	0	113.9	L304 A305 R306 K329	L304-N308 PolarHBondContact O-N 2.92Å; A305-N308 WeakPolarHBondContact O-CB 3.31Å; A305-N308 PolarHBondContact O-N 2.95Å; R306-N308 PolarHBondContact O-N 3Å; N308-K329 WeakPolarHBondContact OD1-CE 3.2Å; N308-K329 PolarHBondContact OD1-NZ 2.85Å
309	Y	87.9	Confident	86.4	Confident	207 Å²	207	58.8 Å²	58.8	81%	0.812	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.3	178.3	-56.7	-81.6	0	0	0	113.5	A305 R306 L307	A305-Y309 WeakPolarHBondContact O-CD2 3.42Å; A305-Y309 WeakPolarHBondContact O-CE2 3.42Å; R306-Y309 PolarHBondContact O-N 3.21Å; L307-Y309 PolarHBondContact O-N 3.01Å
310	R	85.9	Confident	86.1	Confident	101 Å²	101	59.2 Å²	59.2	38%	0.381	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-30.7	-178.3	-69.7	-179.1	166.4	-156.4	-12.3	113.4	Q284 L307	Q284-R310 VanDerWaalsContact CD-NH1 3.25Å; L307-R310 PolarHBondContact O-N 2.93Å; L307-R310 VanDerWaalsContact O-N 3.08Å
311	L	86.9	Confident	85.9	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.058	34%	0.34	C	S	.	.	S	Bend	trans	-92.5	143.7	177.9	-62.7	-178.8	0	0	0	110.7	A281 L307 A313 L322 A325 K329	A281-L311 HydrophobicContact CB-CD2 3.86Å; L307-L311 PolarHBondContact O-N 2.61Å; L311-A313 PolarHBondContact O-N 3.26Å; L311-L322 HydrophobicContact CD2-CD2 3.81Å; L311-A325 HydrophobicContact CD1-CB 3.97Å; L311-A325 WeakPolarHBondContact CD1-O 3.46Å; L311-A325 HydrophobicContact CD2-CB 3.81Å; L311-K329 HydrophobicContact CD1-CB 4.28Å; L311-K329 HydrophobicContact CD1-CD 3.99Å
312	P	76.8	Confident	85.7	Confident	36 Å²	36	59.1 Å²	59.1	23%	0.234	33%	0.332	C	S	.	.			trans	-54.6	134.3	175.7	-27	35.2	0	0	0	112.3	V314 A317 F326	P312-V314 WeakPolarHBondContact CB-O 3.16Å; P312-V314 PolarHBondContact O-N 2.8Å; P312-A317 WeakPolarHBondContact CG-O 3.44Å; P312-F326 WeakPolarHBondContact O-CD2 3.33Å
313	A	70.9	Confident	85.5	Confident	98 Å²	98	54.8 Å²	54.8	81%	0.81	31%	0.312	S	S	*	.	S	Bend	trans	-67.5	-23.1	175.7	0	0	0	0	0	113	L311	L311-A313 PolarHBondContact O-N 3.26Å
314	V	71	Confident	85.4	Confident	89 Å²	89	54.3 Å²	54.3	54%	0.539	31%	0.309	S	S	.	.	S	Bend	trans	-109.8	113	169.7	178.9	0	0	0	0	107.2	P312 T316 A317	P312-V314 WeakPolarHBondContact CB-O 3.16Å; P312-V314 PolarHBondContact O-N 2.8Å; V314-T316 PolarHBondContact O-N 2.89Å; V314-A317 PolarHBondContact O-N 3.01Å
315	P	66.8	Low	85.3	Confident	25 Å²	25	54.1 Å²	54.1	16%	0.162	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-46.3	-171.1	-27.9	35.9	0	0	0	113.3	A317 G318 R323 F326 Y327	P315-A317 PolarHBondContact O-N 3.01Å; P315-G318 PolarHBondContact O-N 3.26Å; P315-R323 WeakPolarHBondContact O-CG 3.39Å; P315-F326 HydrophobicContact CB-CD1 4.1Å; P315-F326 HydrophobicContact CB-CG 4.21Å; P315-F326 HydrophobicContact CG-CD1 3.51Å; P315-F326 HydrophobicContact CG-CD2 4.04Å; P315-F326 HydrophobicContact CG-CE1 3.48Å; P315-F326 VanDerWaalsContact CG-CE1 3.48Å; P315-F326 HydrophobicContact CG-CE2 3.98Å; P315-F326 HydrophobicContact CG-CG 3.82Å; P315-F326 HydrophobicContact CG-CZ 3.72Å; P315-Y327 HydrophobicContact CB-CE2 4.29Å; P315-Y327 WeakPolarHBondContact CB-OH 3.28Å; P315-Y327 HydrophobicContact CG-CE1 4.45Å
316	T	70.2	Confident	85.3	Confident	64 Å²	64	53.5 Å²	53.5	39%	0.393	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.1	-176.7	53.7	0	0	0	0	114.6	V314 G318	V314-T316 PolarHBondContact O-N 2.89Å; T316-G318 VanDerWaalsContact C-N 3.3Å; T316-G318 PolarHBondContact O-N 3.47Å
317	A	69.6	Low	85.3	Confident	71 Å²	71	49.5 Å²	49.5	59%	0.587	28%	0.282	S	S	*	.	S	Bend	trans	-89	54.8	171	0	0	0	0	0	111.9	P312 V314 P315	P312-A317 WeakPolarHBondContact CG-O 3.44Å; V314-A317 PolarHBondContact O-N 3.01Å; P315-A317 PolarHBondContact O-N 3.01Å
318	G	81.6	Confident	85.4	Confident	25 Å²	25	49.4 Å²	49.4	26%	0.258	28%	0.282	S	S	.	.	S	Bend	trans	-164.4	168.2	-177.3	0	0	0	0	0	114.5	P315 T316 R323	P315-G318 PolarHBondContact O-N 3.26Å; T316-G318 VanDerWaalsContact C-N 3.3Å; T316-G318 PolarHBondContact O-N 3.47Å; G318-R323 PolarHBondContact O-NE 2.69Å
319	T	89.5	Confident	85.6	Confident	72 Å²	72	45.7 Å²	45.7	44%	0.442	26%	0.261	S	S	.	.			trans	-67.3	163.6	171.1	56.6	0	0	0	0	111.3	L321 L322 R323	T319-L321 PolarHBondContact O-N 3.38Å; T319-L321 VanDerWaalsContact O-N 3.11Å; T319-L322 PolarHBondContact O-N 2.85Å; T319-L322 VanDerWaalsContact O-N 3.12Å; T319-L322 PolarHBondContact OG1-N 2.81Å; T319-R323 PolarHBondContact O-N 3.11Å; T319-R323 PolarHBondContact O-NE 3.44Å
320	P	92.3	Very high	85.9	Confident	17 Å²	17	37.2 Å²	37.2	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-48.5	-36.3	169.2	-29	33.2	0	0	0	113.5	R323 S324 V534 L537 D538	P320-R323 VanDerWaalsContact CG-NH2 3.35Å; P320-S324 VanDerWaalsContact O-CB 3.31Å; P320-S324 WeakPolarHBondContact O-CB 3.42Å; P320-S324 PolarHBondContact O-N 3.49Å; P320-S324 PolarHBondContact O-OG 2.97Å; P320-V534 HydrophobicContact CB-CG1 4.42Å; P320-L537 HydrophobicContact CB-CB 3.92Å; P320-D538 HydrophobicContact CB-CB 4.05Å; P320-D538 HydrophobicContact CG-CB 3.97Å
321	L	93.2	Very high	86.3	Confident	54 Å²	54	32.4 Å²	32.4	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-49.2	178.2	-167.3	67.5	0	0	0	112.6	A278 V282 T319 A325 F530 V534	A278-L321 HydrophobicContact CB-CD2 3.79Å; V282-L321 HydrophobicContact CG2-CD1 4.11Å; V282-L321 HydrophobicContact CG2-CG 4.33Å; T319-L321 PolarHBondContact O-N 3.38Å; T319-L321 VanDerWaalsContact O-N 3.11Å; L321-A325 WeakPolarHBondContact O-CB 3.34Å; L321-A325 PolarHBondContact O-N 3.23Å; L321-F530 HydrophobicContact CD1-CE1 3.89Å; L321-F530 HydrophobicContact CD1-CZ 3.64Å; L321-F530 HydrophobicContact CG-CZ 4.46Å; L321-V534 HydrophobicContact CD1-CG1 4.28Å; L321-V534 HydrophobicContact CD1-CG2 3.9Å
322	L	92.2	Very high	86.7	Confident	32 Å²	32	31.9 Å²	31.9	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-36.7	180	-70.4	172.2	0	0	0	112.5	A278 L311 T319 A325 F326	A278-L322 HydrophobicContact CB-CD2 3.77Å; A278-L322 HydrophobicContact CB-CG 4.1Å; L311-L322 HydrophobicContact CD2-CD2 3.81Å; T319-L322 PolarHBondContact O-N 2.85Å; T319-L322 VanDerWaalsContact O-N 3.12Å; T319-L322 PolarHBondContact OG1-N 2.81Å; L322-A325 PolarHBondContact O-N 3.36Å; L322-F326 PolarHBondContact O-N 3.49Å
323	R	93.2	Very high	87.6	Confident	6 Å²	6	36 Å²	36	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-48	172.8	-78.1	176.3	-58.4	160.7	1.8	111.6	P315 G318 T319 P320 A325 F326 Y327 L537 D541 E555	P315-R323 WeakPolarHBondContact O-CG 3.39Å; G318-R323 PolarHBondContact O-NE 2.69Å; T319-R323 PolarHBondContact O-N 3.11Å; T319-R323 PolarHBondContact O-NE 3.44Å; P320-R323 VanDerWaalsContact CG-NH2 3.35Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.93Å; R323-F326 WeakPolarHBondContact O-CB 3.35Å; R323-F326 PolarHBondContact O-N 3.09Å; R323-F326 VanDerWaalsContact O-N 3.12Å; R323-Y327 HydrophobicContact CB-CE2 4.4Å; R323-Y327 WeakPolarHBondContact O-CD2 3.42Å; R323-Y327 PolarHBondContact O-N 2.91Å; R323-Y327 VanDerWaalsContact O-N 3.1Å; R323-L537 HydrophobicContact CB-CD1 3.56Å; R323-D541 IonicContact CZ-OD1 3.89Å; R323-D541 IonicContact CZ-OD2 2.83Å; R323-D541 IonicContact NH1-OD1 3.6Å; R323-D541 PolarHBondContact NH1-OD1 2.74Å; R323-D541 IonicContact NH1-OD2 2.78Å; R323-D541 IonicContact NH2-OD1 3.84Å; R323-D541 PolarHBondContact NH2-OD1 3.09Å; R323-D541 IonicContact NH2-OD2 3.73Å; R323-D541 PolarHBondContact NH2-OD2 2.88Å; R323-E555 WeakPolarHBondContact CD-OE1 3.42Å; R323-E555 WeakPolarHBondContact CD-OE2 3.48Å; R323-E555 IonicContact CZ-OE1 2.73Å; R323-E555 IonicContact NE-OE1 2.79Å; R323-E555 IonicContact NH1-OE1 2.78Å; R323-E555 PolarHBondContact NH1-OE1 2.67Å
324	S	94.7	Very high	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-40.7	173.5	-57.2	0	0	0	0	111.3	P320 F326 Y327 F328 C533 V534	P320-S324 VanDerWaalsContact O-CB 3.31Å; P320-S324 WeakPolarHBondContact O-CB 3.42Å; P320-S324 PolarHBondContact O-N 3.49Å; P320-S324 PolarHBondContact O-OG 2.97Å; S324-F326 VanDerWaalsContact C-N 3.32Å; S324-F326 PolarHBondContact O-N 2.93Å; S324-Y327 PolarHBondContact O-N 3.35Å; S324-F328 WeakPolarHBondContact O-CB 3.32Å; S324-F328 VanDerWaalsContact O-CD2 3.29Å; S324-F328 WeakPolarHBondContact O-CD2 3.31Å; S324-F328 PolarHBondContact O-N 3.38Å; S324-C533 PolarHBondContact OG-SG 3.45Å; S324-V534 WeakPolarHBondContact OG-CA 3.05Å; S324-V534 WeakPolarHBondContact OG-CG2 3.45Å; S324-V534 PolarHBondContact OG-N 3.41Å
325	A	94.7	Very high	89.7	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-35.3	178.7	0	0	0	0	0	112.1	L311 L321 L322 R323 K329 F530	L311-A325 HydrophobicContact CD1-CB 3.97Å; L311-A325 WeakPolarHBondContact CD1-O 3.46Å; L311-A325 HydrophobicContact CD2-CB 3.81Å; L321-A325 WeakPolarHBondContact O-CB 3.34Å; L321-A325 PolarHBondContact O-N 3.23Å; L322-A325 PolarHBondContact O-N 3.36Å; R323-A325 VanDerWaalsContact C-N 3.26Å; R323-A325 PolarHBondContact O-N 2.93Å; A325-K329 VanDerWaalsContact O-CB 3.25Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3.14Å; A325-F530 HydrophobicContact CB-CE2 4.11Å
326	F	93.7	Very high	91	Very high	33 Å²	33	28.9 Å²	28.9	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-51.6	173.4	179	-79.5	0	0	0	111.4	P312 P315 L322 R323 S324 F328 K329 E330	P312-F326 WeakPolarHBondContact O-CD2 3.33Å; P315-F326 HydrophobicContact CB-CD1 4.1Å; P315-F326 HydrophobicContact CB-CG 4.21Å; P315-F326 HydrophobicContact CG-CD1 3.51Å; P315-F326 HydrophobicContact CG-CD2 4.04Å; P315-F326 HydrophobicContact CG-CE1 3.48Å; P315-F326 VanDerWaalsContact CG-CE1 3.48Å; P315-F326 HydrophobicContact CG-CE2 3.98Å; P315-F326 HydrophobicContact CG-CG 3.82Å; P315-F326 HydrophobicContact CG-CZ 3.72Å; L322-F326 PolarHBondContact O-N 3.49Å; R323-F326 WeakPolarHBondContact O-CB 3.35Å; R323-F326 PolarHBondContact O-N 3.09Å; R323-F326 VanDerWaalsContact O-N 3.12Å; S324-F326 VanDerWaalsContact C-N 3.32Å; S324-F326 PolarHBondContact O-N 2.93Å; F326-F328 PolarHBondContact O-N 2.92Å; F326-K329 WeakPolarHBondContact O-CB 3.32Å; F326-K329 PolarHBondContact O-N 2.94Å; F326-E330 HydrophobicContact CD1-CG 4.38Å; F326-E330 HydrophobicContact CE1-CG 3.85Å; F326-E330 HydrophobicContact CZ-CG 4.04Å; F326-E330 PolarHBondContact O-N 2.87Å
327	Y	94.6	Very high	91.9	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-38.8	-177	-66.4	-57.5	0	0	0	112.4	P315 R323 S324 E330 A331 E555 Q560	P315-Y327 HydrophobicContact CB-CE2 4.29Å; P315-Y327 WeakPolarHBondContact CB-OH 3.28Å; P315-Y327 HydrophobicContact CG-CE1 4.45Å; R323-Y327 HydrophobicContact CB-CE2 4.4Å; R323-Y327 WeakPolarHBondContact O-CD2 3.42Å; R323-Y327 PolarHBondContact O-N 2.91Å; R323-Y327 VanDerWaalsContact O-N 3.1Å; S324-Y327 PolarHBondContact O-N 3.35Å; Y327-E330 PolarHBondContact O-N 3.21Å; Y327-A331 VanDerWaalsContact O-CB 3.26Å; Y327-A331 WeakPolarHBondContact O-CB 3.33Å; Y327-A331 PolarHBondContact O-N 3.06Å; Y327-E555 HydrophobicContact CE2-CB 4.09Å; Y327-E555 HydrophobicContact CE2-CG 4.32Å; Y327-E555 WeakPolarHBondContact CE2-OE2 3.28Å; Y327-E555 WeakPolarHBondContact OH-CB 3.24Å; Y327-E555 PolarHBondContact OH-OE2 3.07Å; Y327-Q560 HydrophobicContact CD1-CB 3.61Å; Y327-Q560 HydrophobicContact CD1-CG 3.8Å; Y327-Q560 HydrophobicContact CE1-CB 3.75Å; Y327-Q560 HydrophobicContact CE1-CG 4.12Å; Y327-Q560 HydrophobicContact CG-CB 4.47Å
328	F	96.3	Very high	92.1	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-32.2	175.8	-83.3	-101.3	0	0	0	113.3	L285 S324 F326 L332 L526 A529 F530 C533 V563 V567	L285-F328 HydrophobicContact CD1-CB 4.04Å; L285-F328 HydrophobicContact CD2-CB 3.58Å; L285-F328 HydrophobicContact CD2-CG 4.45Å; L285-F328 HydrophobicContact CG-CB 4.4Å; S324-F328 WeakPolarHBondContact O-CB 3.32Å; S324-F328 VanDerWaalsContact O-CD2 3.29Å; S324-F328 WeakPolarHBondContact O-CD2 3.31Å; S324-F328 PolarHBondContact O-N 3.38Å; F326-F328 PolarHBondContact O-N 2.92Å; F328-L332 VanDerWaalsContact O-CB 3.25Å; F328-L332 WeakPolarHBondContact O-CB 3.49Å; F328-L332 PolarHBondContact O-N 2.93Å; F328-L526 HydrophobicContact CD1-CD2 3.94Å; F328-L526 HydrophobicContact CD1-CG 3.88Å; F328-L526 HydrophobicContact CE1-CG 4.33Å; F328-A529 HydrophobicContact CE1-CB 3.78Å; F328-A529 HydrophobicContact CZ-CB 3.75Å; F328-F530 HydrophobicContact CB-CD2 4.43Å; F328-F530 HydrophobicContact CD1-CB 4.14Å; F328-F530 HydrophobicContact CD2-CB 4.41Å; F328-F530 HydrophobicContact CD2-CD2 4.13Å; F328-F530 HydrophobicContact CE1-CB 4.11Å; F328-F530 HydrophobicContact CE2-CB 4.39Å; F328-F530 HydrophobicContact CG-CB 4.3Å; F328-F530 HydrophobicContact CG-CD2 4.19Å; F328-F530 HydrophobicContact CZ-CB 4.25Å; F328-F530 VanDerWaalsContact CZ-N 3.3Å; F328-C533 HydrophobicContact CD2-CB 4.49Å; F328-C533 HydrophobicContact CE2-CB 3.59Å; F328-C533 HydrophobicContact CZ-CB 4.31Å; F328-V563 HydrophobicContact CD1-CG1 4.28Å; F328-V563 HydrophobicContact CD2-CG1 3.51Å; F328-V563 HydrophobicContact CD2-CG2 4.32Å; F328-V563 HydrophobicContact CE1-CG1 4.2Å; F328-V563 HydrophobicContact CE2-CB 4.16Å; F328-V563 HydrophobicContact CE2-CG1 3.41Å; F328-V563 VanDerWaalsContact CE2-CG1 3.41Å; F328-V563 HydrophobicContact CE2-CG2 3.58Å; F328-V563 HydrophobicContact CG-CG1 3.95Å; F328-V563 HydrophobicContact CZ-CG1 3.77Å; F328-V563 HydrophobicContact CZ-CG2 4.08Å; F328-V567 HydrophobicContact CD1-CG2 3.91Å; F328-V567 HydrophobicContact CE1-CG2 3.77Å
329	K	95.5	Very high	91.2	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-49.6	169.1	174.6	-173.5	68.2	79.7	0	111	L304 L307 N308 L311 A325 F326 L332 R333	L304-K329 HydrophobicContact CD2-CB 4.21Å; L304-K329 HydrophobicContact CD2-CG 3.72Å; L307-K329 HydrophobicContact CB-CD 3.68Å; L307-K329 HydrophobicContact CB-CG 4.41Å; N308-K329 WeakPolarHBondContact OD1-CE 3.2Å; N308-K329 PolarHBondContact OD1-NZ 2.85Å; L311-K329 HydrophobicContact CD1-CB 4.28Å; L311-K329 HydrophobicContact CD1-CD 3.99Å; A325-K329 VanDerWaalsContact O-CB 3.25Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3.14Å; F326-K329 WeakPolarHBondContact O-CB 3.32Å; F326-K329 PolarHBondContact O-N 2.94Å; K329-L332 PolarHBondContact O-N 2.93Å; K329-R333 WeakPolarHBondContact O-CB 3.31Å; K329-R333 PolarHBondContact O-N 3.24Å
330	E	93.9	Very high	89.4	Confident	30 Å²	30	32.7 Å²	32.7	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-42.7	-179.3	-72.1	-54.9	108.3	0	0	112.3	F326 Y327 L332 R333 V334	F326-E330 HydrophobicContact CD1-CG 4.38Å; F326-E330 HydrophobicContact CE1-CG 3.85Å; F326-E330 HydrophobicContact CZ-CG 4.04Å; F326-E330 PolarHBondContact O-N 2.87Å; Y327-E330 PolarHBondContact O-N 3.21Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.34Å; E330-R333 WeakPolarHBondContact O-CB 3.37Å; E330-R333 PolarHBondContact O-N 3.23Å; E330-R333 VanDerWaalsContact O-N 3.14Å; E330-R333 IonicContact OE1-NE 2.79Å; E330-R333 PolarHBondContact OE1-NE 2.85Å; E330-R333 IonicContact OE2-CZ 3.14Å; E330-R333 IonicContact OE2-NE 3.14Å; E330-R333 PolarHBondContact OE2-NE 2.66Å; E330-R333 IonicContact OE2-NH2 2.79Å; E330-R333 PolarHBondContact OE2-NH2 2.79Å; E330-V334 WeakPolarHBondContact O-CG2 3.45Å; E330-V334 PolarHBondContact O-N 3.02Å
331	A	94.8	Very high	87	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-39.6	175.4	0	0	0	0	0	112.9	Y327 V334 A335 V563 E564 V567	Y327-A331 VanDerWaalsContact O-CB 3.26Å; Y327-A331 WeakPolarHBondContact O-CB 3.33Å; Y327-A331 PolarHBondContact O-N 3.06Å; A331-V334 PolarHBondContact O-N 2.93Å; A331-A335 VanDerWaalsContact O-CB 3.32Å; A331-A335 WeakPolarHBondContact O-CB 3.25Å; A331-A335 PolarHBondContact O-N 2.83Å; A331-V563 HydrophobicContact CB-CG1 3.86Å; A331-E564 HydrophobicContact CB-CB 4.44Å; A331-E564 HydrophobicContact CB-CG 3.94Å; A331-V567 HydrophobicContact CB-CB 3.91Å; A331-V567 HydrophobicContact CB-CG1 4.21Å; A331-V567 HydrophobicContact CB-CG2 4.1Å
332	L	96.2	Very high	84.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-34.6	174.1	-172.3	56.8	0	0	0	111.9	L285 A288 A289 A292 L304 F328 K329 E330 A335 L336 F522 L526	L285-L332 HydrophobicContact CD1-CD2 4.4Å; A288-L332 HydrophobicContact CB-CD2 3.77Å; A289-L332 HydrophobicContact CB-CD2 4.33Å; A292-L332 HydrophobicContact CB-CD1 4.27Å; L304-L332 HydrophobicContact CD1-CB 4.4Å; L304-L332 HydrophobicContact CD1-CG 4.17Å; L304-L332 HydrophobicContact CD2-CB 4.27Å; L304-L332 HydrophobicContact CD2-CD2 4.21Å; L304-L332 HydrophobicContact CD2-CG 4.39Å; F328-L332 VanDerWaalsContact O-CB 3.25Å; F328-L332 WeakPolarHBondContact O-CB 3.49Å; F328-L332 PolarHBondContact O-N 2.93Å; K329-L332 PolarHBondContact O-N 2.93Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.34Å; L332-A335 PolarHBondContact O-N 2.88Å; L332-L336 HydrophobicContact CD1-CD1 4.11Å; L332-L336 HydrophobicContact CD1-CG 4.27Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.32Å; L332-L336 PolarHBondContact O-N 2.79Å; L332-F522 HydrophobicContact CD1-CE1 3.75Å; L332-F522 HydrophobicContact CD1-CZ 3.64Å; L332-L526 HydrophobicContact CB-CD1 4.49Å; L332-L526 HydrophobicContact CD1-CD1 4.14Å; L332-L526 HydrophobicContact CD2-CD1 4.15Å
333	R	94.7	Very high	82.5	Confident	121 Å²	121	41.6 Å²	41.6	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-42.9	172	-172.9	-171.8	61.4	65.8	1.5	111.8	L304 K329 E330 L336 S337	L304-R333 HydrophobicContact CD1-CB 4.11Å; K329-R333 WeakPolarHBondContact O-CB 3.31Å; K329-R333 PolarHBondContact O-N 3.24Å; E330-R333 WeakPolarHBondContact O-CB 3.37Å; E330-R333 PolarHBondContact O-N 3.23Å; E330-R333 VanDerWaalsContact O-N 3.14Å; E330-R333 IonicContact OE1-NE 2.79Å; E330-R333 PolarHBondContact OE1-NE 2.85Å; E330-R333 IonicContact OE2-CZ 3.14Å; E330-R333 IonicContact OE2-NE 3.14Å; E330-R333 PolarHBondContact OE2-NE 2.66Å; E330-R333 IonicContact OE2-NH2 2.79Å; E330-R333 PolarHBondContact OE2-NH2 2.79Å; R333-L336 CarbonylContact O-C 3.51Å; R333-L336 PolarHBondContact O-N 3.29Å; R333-S337 PolarHBondContact O-N 3.04Å
334	V	92.6	Very high	80	Confident	44 Å²	44	44.7 Å²	44.7	27%	0.267	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-45.2	175.7	173.9	0	0	0	0	110.7	E330 A331 L336 S337 V568	E330-V334 WeakPolarHBondContact O-CG2 3.45Å; E330-V334 PolarHBondContact O-N 3.02Å; A331-V334 PolarHBondContact O-N 2.93Å; V334-L336 PolarHBondContact O-N 3.49Å; V334-S337 WeakPolarHBondContact O-CB 3.47Å; V334-S337 PolarHBondContact O-N 2.94Å; V334-V568 HydrophobicContact CB-CG2 4.26Å; V334-V568 HydrophobicContact CG1-CG2 3.8Å
335	A	93.4	Very high	77.5	Confident	14 Å²	14	48.5 Å²	48.5	12%	0.116	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-31.2	177.1	0	0	0	0	0	113	A331 L332 V567 V568 H571	A331-A335 VanDerWaalsContact O-CB 3.32Å; A331-A335 WeakPolarHBondContact O-CB 3.25Å; A331-A335 PolarHBondContact O-N 2.83Å; L332-A335 PolarHBondContact O-N 2.88Å; A335-V567 HydrophobicContact CB-CG1 4.24Å; A335-V568 HydrophobicContact CB-CG2 4.02Å; A335-H571 HydrophobicContact CB-CB 3.85Å; A335-H571 PolarHBondContact O-CE1 3.39Å; A335-H571 PolarHBondContact O-ND1 3.15Å
336	L	93.9	Very high	75.3	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	15.8	176.4	-67.4	171.2	0	0	0	114.1	A292 A297 A300 R301 L304 L332 R333 V334	A292-L336 HydrophobicContact CB-CD1 4.3Å; A292-L336 HydrophobicContact CB-CD2 3.89Å; A292-L336 HydrophobicContact CB-CG 4.5Å; A297-L336 HydrophobicContact CB-CD2 3.91Å; A300-L336 HydrophobicContact CB-CD1 3.65Å; R301-L336 HydrophobicContact CG-CB 4.24Å; R301-L336 HydrophobicContact CG-CD1 4.32Å; R301-L336 PolarHBondContact NE-O 3.08Å; R301-L336 PolarHBondContact NH2-O 2.83Å; L304-L336 HydrophobicContact CD1-CD1 3.94Å; L332-L336 HydrophobicContact CD1-CD1 4.11Å; L332-L336 HydrophobicContact CD1-CG 4.27Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 WeakPolarHBondContact O-CB 3.36Å; L332-L336 VanDerWaalsContact O-CG 3.28Å; L332-L336 WeakPolarHBondContact O-CG 3.32Å; L332-L336 PolarHBondContact O-N 2.79Å; R333-L336 CarbonylContact O-C 3.51Å; R333-L336 PolarHBondContact O-N 3.29Å; V334-L336 PolarHBondContact O-N 3.49Å
337	S	88.7	Confident	73.3	Confident	57 Å²	57	54.1 Å²	54.1	40%	0.399	35%	0.348	S	S	.	.			trans	-64.7	123.6	177.4	-168.5	0	0	0	0	111.7	R333 V334 T339 G340	R333-S337 PolarHBondContact O-N 3.04Å; V334-S337 WeakPolarHBondContact O-CB 3.47Å; V334-S337 PolarHBondContact O-N 2.94Å; S337-T339 VanDerWaalsContact C-N 3.27Å; S337-T339 PolarHBondContact O-N 3.4Å; S337-T339 PolarHBondContact OG-OG1 3.46Å; S337-T339 VanDerWaalsContact OG-OG1 3.09Å; S337-G340 PolarHBondContact O-N 2.71Å
338	P	73.7	Confident	71.4	Confident	108 Å²	108	59 Å²	59	70%	0.701	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.5	-174.4	30	-36	0	0	0	114.1	G340	P338-G340 PolarHBondContact O-N 3.12Å
339	T	62.6	Low	70.5	Confident	80 Å²	80	61.3 Å²	61.3	49%	0.491	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.2	176.1	45.2	0	0	0	0	112.9	S337 E341	S337-T339 VanDerWaalsContact C-N 3.27Å; S337-T339 PolarHBondContact O-N 3.4Å; S337-T339 PolarHBondContact OG-OG1 3.46Å; S337-T339 VanDerWaalsContact OG-OG1 3.09Å; T339-E341 VanDerWaalsContact CB-CD 3.42Å; T339-E341 WeakPolarHBondContact CB-OE2 3.13Å; T339-E341 PolarHBondContact O-N 2.98Å; T339-E341 VanDerWaalsContact O-N 3.09Å; T339-E341 VanDerWaalsContact OG1-CD 3.27Å; T339-E341 PolarHBondContact OG1-OE2 2.81Å
340	G	52.9	Low	70.1	Confident	66 Å²	66	63.9 Å²	63.9	68%	0.68	41%	0.411	S	S	*	.			trans	63.7	10.4	-175.7	0	0	0	0	0	113.7	S337 P338 A342	S337-G340 PolarHBondContact O-N 2.71Å; P338-G340 PolarHBondContact O-N 3.12Å; G340-A342 PolarHBondContact O-N 2.79Å
341	E	42.2	Very low	69.9	Low	126 Å²	126	66 Å²	66	59%	0.589	43%	0.427	S	S	*	.			trans	-55	105.7	-178	-80.3	156.1	158.3	0	0	109.8	T339 L343	T339-E341 VanDerWaalsContact CB-CD 3.42Å; T339-E341 WeakPolarHBondContact CB-OE2 3.13Å; T339-E341 PolarHBondContact O-N 2.98Å; T339-E341 VanDerWaalsContact O-N 3.09Å; T339-E341 VanDerWaalsContact OG1-CD 3.27Å; T339-E341 PolarHBondContact OG1-OE2 2.81Å; E341-L343 PolarHBondContact O-N 2.92Å
342	A	43.6	Very low	69.8	Low	83 Å²	83	73.4 Å²	73.4	69%	0.686	46%	0.457	S	S	*	.	S	Bend	trans	-54.5	113.8	163	0	0	0	0	0	106.4	G340 A344	G340-A342 PolarHBondContact O-N 2.79Å; A342-A344 PolarHBondContact O-N 2.72Å
343	L	46.8	Very low	69.5	Low	81 Å²	81	75.9 Å²	75.9	42%	0.424	47%	0.47	S	S	.	.			trans	-25.1	112.5	-157.1	-65.7	89.8	0	0	0	112.4	E341 P345 V568	E341-L343 PolarHBondContact O-N 2.92Å; L343-P345 VanDerWaalsContact O-CA 3.23Å; L343-P345 WeakPolarHBondContact O-CA 3.25Å; L343-V568 HydrophobicContact CD1-CG1 4.4Å
344	A	39.6	Very low	69.4	Low	72 Å²	72	70.2 Å²	70.2	60%	0.595	45%	0.449	S	S	*	.			trans	-47.5	112.7	172	0	0	0	0	0	107.6	A342 P346	A342-A344 PolarHBondContact O-N 2.72Å; A344-P346 WeakPolarHBondContact O-CA 3.45Å; A344-P346 VanDerWaalsContact O-N 3.13Å
345	P	42.4	Very low	69.4	Low	80 Å²	80	72.2 Å²	72.2	52%	0.519	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-56.2	118.1	-143.4	13.5	-30	0	0	0	110.3	L343 A347 V348	L343-P345 VanDerWaalsContact O-CA 3.23Å; L343-P345 WeakPolarHBondContact O-CA 3.25Å; P345-A347 VanDerWaalsContact C-N 3.3Å; P345-A347 WeakPolarHBondContact O-CA 3.29Å; P345-A347 PolarHBondContact O-N 3.01Å; P345-V348 PolarHBondContact O-N 3.14Å
346	P	49.2	Very low	69.4	Low	63 Å²	63	73.4 Å²	73.4	41%	0.409	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-49	92.3	-137.8	13.2	-30.4	0	0	0	112.3	A344 V348 A430	A344-P346 WeakPolarHBondContact O-CA 3.45Å; A344-P346 VanDerWaalsContact O-N 3.13Å; P346-V348 PolarHBondContact O-N 3.49Å; P346-A430 WeakPolarHBondContact CD-O 3.46Å; P346-A430 WeakPolarHBondContact CG-O 3.45Å
347	A	51.3	Low	69.4	Low	90 Å²	90	75.9 Å²	75.9	74%	0.744	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	18.2	61.5	-164.1	0	0	0	0	0	114.4	P345 S349	P345-A347 VanDerWaalsContact C-N 3.3Å; P345-A347 WeakPolarHBondContact O-CA 3.29Å; P345-A347 PolarHBondContact O-N 3.01Å; A347-S349 PolarHBondContact O-N 3.25Å; A347-S349 VanDerWaalsContact O-N 3.11Å
348	V	55.3	Low	69.5	Low	109 Å²	109	74.5 Å²	74.5	66%	0.661	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	9.4	82.9	-174.8	-173.9	0	0	0	0	112.5	P345 P346 T350	P345-V348 PolarHBondContact O-N 3.14Å; P346-V348 PolarHBondContact O-N 3.49Å; V348-T350 PolarHBondContact O-N 2.97Å; V348-T350 VanDerWaalsContact O-N 3.11Å
349	S	76.8	Confident	70.5	Confident	50 Å²	50	70.9 Å²	70.9	35%	0.35	45%	0.445	S	S	.	.			trans	-46.9	116.8	-163.1	-51.7	0	0	0	0	112	A347 H433	A347-S349 PolarHBondContact O-N 3.25Å; A347-S349 VanDerWaalsContact O-N 3.11Å; S349-H433 PolarHBondContact O-CD2 2.92Å; S349-H433 VanDerWaalsContact O-CG 3.31Å
350	T	87.9	Confident	72	Confident	61 Å²	61	67 Å²	67	37%	0.374	42%	0.422	S	S	.	.			trans	-69.9	163.3	-171.5	70.4	0	0	0	0	111.1	V348 Y352 D353 V354	V348-T350 PolarHBondContact O-N 2.97Å; V348-T350 VanDerWaalsContact O-N 3.11Å; T350-Y352 PolarHBondContact O-N 2.91Å; T350-Y352 PolarHBondContact OG1-N 2.98Å; T350-D353 VanDerWaalsContact CB-OD2 3.3Å; T350-D353 WeakPolarHBondContact CB-OD2 3.3Å; T350-D353 WeakPolarHBondContact CG2-OD2 3.39Å; T350-D353 PolarHBondContact N-OD2 2.68Å; T350-D353 PolarHBondContact O-N 3.37Å; T350-D353 PolarHBondContact OG1-N 3.25Å; T350-D353 VanDerWaalsContact OG1-N 3.17Å; T350-D353 PolarHBondContact OG1-OD2 2.95Å; T350-V354 PolarHBondContact O-N 2.71Å
351	P	90.3	Very high	74	Confident	74 Å²	74	64.7 Å²	64.7	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-51.4	-27.3	168.3	-30	37	0	0	0	114.1	V355 L435	P351-V355 WeakPolarHBondContact O-CG2 3.44Å; P351-V355 PolarHBondContact O-N 3.24Å; P351-L435 HydrophobicContact CB-CD2 3.86Å
352	Y	91.8	Very high	76.5	Confident	157 Å²	157	63.5 Å²	63.5	62%	0.616	39%	0.386	S	S	*	.	H	α-helix	trans	-75.9	-40.8	174.8	-178.7	-115.1	0	0	0	112.3	T350 V354 V355 L356	T350-Y352 PolarHBondContact O-N 2.91Å; T350-Y352 PolarHBondContact OG1-N 2.98Å; Y352-V354 VanDerWaalsContact C-N 3.3Å; Y352-V354 PolarHBondContact O-N 3.36Å; Y352-V355 PolarHBondContact O-N 3.24Å; Y352-V355 VanDerWaalsContact O-N 3.14Å; Y352-L356 HydrophobicContact CD1-CD1 4.04Å; Y352-L356 HydrophobicContact CE1-CD1 3.54Å; Y352-L356 HydrophobicContact CE1-CG 4.2Å; Y352-L356 HydrophobicContact CE2-CD2 4.45Å; Y352-L356 HydrophobicContact CE2-CG 4.42Å; Y352-L356 PolarHBondContact O-N 3.37Å
353	D	90.2	Very high	78.9	Confident	52 Å²	52	60 Å²	60	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-35.1	174.8	-60.2	-65.2	0	0	0	111.9	T350 L356 K357	T350-D353 VanDerWaalsContact CB-OD2 3.3Å; T350-D353 WeakPolarHBondContact CB-OD2 3.3Å; T350-D353 WeakPolarHBondContact CG2-OD2 3.39Å; T350-D353 PolarHBondContact N-OD2 2.68Å; T350-D353 PolarHBondContact O-N 3.37Å; T350-D353 PolarHBondContact OG1-N 3.25Å; T350-D353 VanDerWaalsContact OG1-N 3.17Å; T350-D353 PolarHBondContact OG1-OD2 2.95Å; D353-L356 PolarHBondContact O-N 3.15Å; D353-K357 VanDerWaalsContact O-CB 3.26Å; D353-K357 WeakPolarHBondContact O-CB 3.5Å; D353-K357 PolarHBondContact O-N 2.92Å
354	V	91.7	Very high	81.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-45.3	171.7	175.8	0	0	0	0	111.1	T350 Y352 K357 L358 H433 E436 L439	T350-V354 PolarHBondContact O-N 2.71Å; Y352-V354 VanDerWaalsContact C-N 3.3Å; Y352-V354 PolarHBondContact O-N 3.36Å; V354-K357 PolarHBondContact O-N 3.06Å; V354-L358 HydrophobicContact CG1-CD1 3.96Å; V354-L358 WeakPolarHBondContact O-CB 3.43Å; V354-L358 WeakPolarHBondContact O-CD1 3.33Å; V354-L358 VanDerWaalsContact O-CG 3.32Å; V354-L358 WeakPolarHBondContact O-CG 3.35Å; V354-L358 PolarHBondContact O-N 3.13Å; V354-H433 HydrophobicContact CG2-CB 3.75Å; V354-E436 HydrophobicContact CG1-CB 3.93Å; V354-E436 HydrophobicContact CG1-CG 4.41Å; V354-E436 HydrophobicContact CG2-CB 4.32Å; V354-L439 HydrophobicContact CG1-CD1 4.33Å
355	V	93.9	Very high	83.7	Confident	86 Å²	86	54.2 Å²	54.2	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177	173.1	0	0	0	0	111.7	P351 Y352 G359	P351-V355 WeakPolarHBondContact O-CG2 3.44Å; P351-V355 PolarHBondContact O-N 3.24Å; Y352-V355 PolarHBondContact O-N 3.24Å; Y352-V355 VanDerWaalsContact O-N 3.14Å; V355-G359 PolarHBondContact O-N 2.9Å
356	L	93.4	Very high	86	Confident	39 Å²	39	56.1 Å²	56.1	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-68.3	-38.7	175.6	-67	-176.6	0	0	0	112.6	Y352 D353 G359 A360 F557	Y352-L356 HydrophobicContact CD1-CD1 4.04Å; Y352-L356 HydrophobicContact CE1-CD1 3.54Å; Y352-L356 HydrophobicContact CE1-CG 4.2Å; Y352-L356 HydrophobicContact CE2-CD2 4.45Å; Y352-L356 HydrophobicContact CE2-CG 4.42Å; Y352-L356 PolarHBondContact O-N 3.37Å; D353-L356 PolarHBondContact O-N 3.15Å; L356-G359 PolarHBondContact O-N 3.43Å; L356-A360 WeakPolarHBondContact O-CB 3.3Å; L356-A360 PolarHBondContact O-N 2.85Å; L356-F557 HydrophobicContact CB-CD1 4.28Å; L356-F557 HydrophobicContact CB-CD2 4.19Å; L356-F557 HydrophobicContact CB-CE1 3.91Å; L356-F557 HydrophobicContact CB-CE2 3.82Å; L356-F557 HydrophobicContact CB-CG 4.43Å; L356-F557 HydrophobicContact CB-CZ 3.69Å; L356-F557 HydrophobicContact CD1-CE1 4.15Å; L356-F557 HydrophobicContact CD1-CE2 3.91Å; L356-F557 HydrophobicContact CD1-CZ 3.41Å; L356-F557 VanDerWaalsContact CD1-CZ 3.41Å; L356-F557 HydrophobicContact CG-CE2 4.42Å; L356-F557 HydrophobicContact CG-CZ 4.19Å
357	K	92.1	Very high	88	Confident	58 Å²	58	53.8 Å²	53.8	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.2	-171	-173.6	177.8	-172.1	0	111.5	D353 V354 A360 Y361 M401 E436	D353-K357 VanDerWaalsContact O-CB 3.26Å; D353-K357 WeakPolarHBondContact O-CB 3.5Å; D353-K357 PolarHBondContact O-N 2.92Å; V354-K357 PolarHBondContact O-N 3.06Å; K357-A360 PolarHBondContact O-N 3.48Å; K357-Y361 WeakPolarHBondContact O-CB 3.25Å; K357-Y361 PolarHBondContact O-N 2.96Å; K357-M401 HydrophobicContact CB-CE 4.49Å; K357-M401 HydrophobicContact CD-CE 4.02Å; K357-M401 HydrophobicContact CG-CE 3.75Å; K357-E436 WeakPolarHBondContact CD-OE1 3.38Å; K357-E436 WeakPolarHBondContact CE-OE1 3.21Å; K357-E436 IonicContact NZ-OE1 2.67Å; K357-E436 PolarHBondContact NZ-OE1 3.04Å; K357-E436 IonicContact NZ-OE2 3.48Å; K357-E436 PolarHBondContact NZ-OE2 3.26Å
358	L	92.9	Very high	90	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-43.9	173	-73.9	162.4	0	0	0	112.1	F222 V354 Y361 K362 M401 L439	F222-L358 HydrophobicContact CE2-CD2 3.69Å; F222-L358 HydrophobicContact CZ-CD2 3.62Å; V354-L358 HydrophobicContact CG1-CD1 3.96Å; V354-L358 WeakPolarHBondContact O-CB 3.43Å; V354-L358 WeakPolarHBondContact O-CD1 3.33Å; V354-L358 VanDerWaalsContact O-CG 3.32Å; V354-L358 WeakPolarHBondContact O-CG 3.35Å; V354-L358 PolarHBondContact O-N 3.13Å; L358-Y361 PolarHBondContact O-N 3.21Å; L358-K362 PolarHBondContact O-N 3.27Å; L358-M401 HydrophobicContact CD2-CE 4.01Å; L358-M401 HydrophobicContact CD2-CG 4.32Å; L358-M401 HydrophobicContact CD2-SD 3.46Å; L358-M401 WeakPolarHBondContact CD2-SD 3.35Å; L358-M401 HydrophobicContact CG-CE 4.32Å; L358-M401 HydrophobicContact CG-SD 4.31Å; L358-L439 HydrophobicContact CD1-CD1 3.78Å
359	G	94	Very high	91.9	Very high	31 Å²	31	44.3 Å²	44.3	32%	0.32	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-40	176.2	0	0	0	0	0	113.3	V355 L356 A363	V355-G359 PolarHBondContact O-N 2.9Å; L356-G359 PolarHBondContact O-N 3.43Å; G359-A363 WeakPolarHBondContact O-CB 3.36Å; G359-A363 PolarHBondContact O-N 2.9Å
360	A	94.8	Very high	92.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-42.7	174.4	0	0	0	0	0	112.3	L356 K357 A363 F364 R553 F557 M558	L356-A360 WeakPolarHBondContact O-CB 3.3Å; L356-A360 PolarHBondContact O-N 2.85Å; K357-A360 PolarHBondContact O-N 3.48Å; A360-A363 PolarHBondContact O-N 3.41Å; A360-F364 WeakPolarHBondContact O-CB 3.48Å; A360-F364 PolarHBondContact O-N 3Å; A360-R553 HydrophobicContact CB-CB 4.14Å; A360-R553 VanDerWaalsContact CB-O 3.31Å; A360-R553 WeakPolarHBondContact CB-O 3.39Å; A360-F557 HydrophobicContact CB-CB 3.71Å; A360-F557 HydrophobicContact CB-CD2 4.45Å; A360-F557 HydrophobicContact CB-CG 4.48Å; A360-M558 HydrophobicContact CB-CG 4.36Å
361	Y	94.8	Very high	93.2	Very high	16 Å²	16	40 Å²	40	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-47.4	175.9	-178.9	-86.7	0	0	0	112	K357 L358 F364 S365 L371 H375 M401 E403 M558	K357-Y361 WeakPolarHBondContact O-CB 3.25Å; K357-Y361 PolarHBondContact O-N 2.96Å; L358-Y361 PolarHBondContact O-N 3.21Å; Y361-F364 PolarHBondContact O-N 3.41Å; Y361-S365 PolarHBondContact O-N 3.08Å; Y361-L371 HydrophobicContact CD2-CD1 3.98Å; Y361-L371 HydrophobicContact CE1-CD1 4.46Å; Y361-L371 HydrophobicContact CE2-CD1 3.84Å; Y361-L371 HydrophobicContact CE2-CD2 4.24Å; Y361-L371 HydrophobicContact CG-CD1 4.37Å; Y361-H375 PolarHBondContact OH-CE1 3.01Å; Y361-M401 HydrophobicContact CD1-CB 4.16Å; Y361-M401 HydrophobicContact CD1-CG 3.66Å; Y361-M401 HydrophobicContact CD2-CG 3.6Å; Y361-M401 HydrophobicContact CE1-CB 3.75Å; Y361-M401 HydrophobicContact CE1-CG 3.73Å; Y361-M401 HydrophobicContact CE2-CB 4.13Å; Y361-M401 HydrophobicContact CE2-CG 3.67Å; Y361-M401 HydrophobicContact CG-CE 4.44Å; Y361-M401 HydrophobicContact CG-CG 3.58Å; Y361-E403 WeakPolarHBondContact CE1-OE2 3.13Å; Y361-E403 WeakPolarHBondContact OH-CB 3.35Å; Y361-E403 PolarHBondContact OH-OE2 3.36Å; Y361-M558 HydrophobicContact CD2-CE 3.84Å
362	K	93.6	Very high	93.4	Very high	102 Å²	102	37.8 Å²	37.8	44%	0.443	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-46	174.2	-179.5	-177.8	175.3	-69.6	0	111.7	L358 F364 S365 E366	L358-K362 PolarHBondContact O-N 3.27Å; K362-F364 VanDerWaalsContact C-N 3.28Å; K362-F364 PolarHBondContact O-N 3.44Å; K362-S365 PolarHBondContact O-N 3.23Å; K362-S365 PolarHBondContact O-OG 3.27Å; K362-S365 VanDerWaalsContact O-OG 3.07Å; K362-E366 IonicContact NZ-OE1 2.65Å; K362-E366 PolarHBondContact NZ-OE1 3.17Å; K362-E366 IonicContact NZ-OE2 2.78Å; K362-E366 PolarHBondContact NZ-OE2 2.89Å; K362-E366 WeakPolarHBondContact O-CG 3.42Å; K362-E366 PolarHBondContact O-N 3.02Å; K362-E366 VanDerWaalsContact O-N 3.07Å
363	A	93.8	Very high	93.7	Very high	8 Å²	8	30.4 Å²	30.4	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-40.4	176.9	0	0	0	0	0	111.7	G359 A360 E366 V367 A550 I554	G359-A363 WeakPolarHBondContact O-CB 3.36Å; G359-A363 PolarHBondContact O-N 2.9Å; A360-A363 PolarHBondContact O-N 3.41Å; A363-E366 PolarHBondContact O-N 2.95Å; A363-V367 WeakPolarHBondContact O-CG2 3.32Å; A363-V367 PolarHBondContact O-N 3.39Å; A363-V367 VanDerWaalsContact O-N 3.15Å; A363-A550 HydrophobicContact CB-CB 4.13Å; A363-I554 HydrophobicContact CB-CD1 3.98Å; A363-I554 HydrophobicContact CB-CG1 3.87Å
364	F	94.6	Very high	93.9	Very high	13 Å²	13	28 Å²	28	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-67.1	-40.3	179.3	-171	-148.6	0	0	0	112.3	A360 Y361 K362 E366 V367 S368 V370 L371 L536 I540 I554 M558	A360-F364 WeakPolarHBondContact O-CB 3.48Å; A360-F364 PolarHBondContact O-N 3Å; Y361-F364 PolarHBondContact O-N 3.41Å; K362-F364 VanDerWaalsContact C-N 3.28Å; K362-F364 PolarHBondContact O-N 3.44Å; F364-E366 VanDerWaalsContact C-N 3.31Å; F364-E366 PolarHBondContact O-N 2.91Å; F364-V367 PolarHBondContact O-N 2.68Å; F364-S368 WeakPolarHBondContact O-CB 3.35Å; F364-S368 PolarHBondContact O-N 3.05Å; F364-V370 HydrophobicContact CE1-CB 4.42Å; F364-V370 HydrophobicContact CE1-CG1 4.33Å; F364-V370 HydrophobicContact CE2-CB 4.5Å; F364-V370 HydrophobicContact CZ-CB 3.82Å; F364-V370 HydrophobicContact CZ-CG1 3.98Å; F364-V370 HydrophobicContact CZ-CG2 4.31Å; F364-L371 HydrophobicContact CB-CD1 4.17Å; F364-L371 HydrophobicContact CD1-CD1 3.62Å; F364-L371 HydrophobicContact CD1-CD2 3.97Å; F364-L371 HydrophobicContact CD1-CG 3.64Å; F364-L371 HydrophobicContact CE1-CD1 4.35Å; F364-L371 HydrophobicContact CE1-CD2 3.95Å; F364-L371 HydrophobicContact CE1-CG 3.87Å; F364-L371 HydrophobicContact CG-CD1 4.17Å; F364-L371 HydrophobicContact CG-CG 4.45Å; F364-L536 HydrophobicContact CE2-CD1 4.13Å; F364-L536 HydrophobicContact CZ-CD1 3.96Å; F364-I540 HydrophobicContact CD2-CD1 4.24Å; F364-I540 HydrophobicContact CE2-CD1 3.93Å; F364-I540 HydrophobicContact CE2-CG1 4.21Å; F364-I554 HydrophobicContact CB-CD1 4.21Å; F364-I554 HydrophobicContact CB-CG1 3.96Å; F364-I554 HydrophobicContact CB-CG2 3.99Å; F364-I554 HydrophobicContact CD2-CG2 3.86Å; F364-I554 HydrophobicContact CG-CG2 3.94Å; F364-M558 HydrophobicContact CB-SD 3.83Å; F364-M558 HydrophobicContact CD1-CE 3.73Å; F364-M558 HydrophobicContact CD1-SD 3.67Å; F364-M558 HydrophobicContact CE1-CE 4.34Å; F364-M558 HydrophobicContact CG-SD 4.14Å
365	S	92.7	Very high	94.1	Very high	20 Å²	20	28.4 Å²	28.4	14%	0.14	15%	0.151	C	C	.	.	H	α-helix	trans	-69.6	-28.2	176.6	70.1	0	0	0	0	112.6	Y361 K362 Q372	Y361-S365 PolarHBondContact O-N 3.08Å; K362-S365 PolarHBondContact O-N 3.23Å; K362-S365 PolarHBondContact O-OG 3.27Å; K362-S365 VanDerWaalsContact O-OG 3.07Å; S365-Q372 PolarHBondContact O-NE2 3.33Å
366	E	90.8	Very high	94.2	Very high	119 Å²	119	25.6 Å²	25.6	56%	0.556	13%	0.133	S	C	*	.	H	α-helix	trans	-74	-32.2	174.1	-74	174.2	138.2	0	0	113.4	K362 A363 F364	K362-E366 IonicContact NZ-OE1 2.65Å; K362-E366 PolarHBondContact NZ-OE1 3.17Å; K362-E366 IonicContact NZ-OE2 2.78Å; K362-E366 PolarHBondContact NZ-OE2 2.89Å; K362-E366 WeakPolarHBondContact O-CG 3.42Å; K362-E366 PolarHBondContact O-N 3.02Å; K362-E366 VanDerWaalsContact O-N 3.07Å; A363-E366 PolarHBondContact O-N 2.95Å; F364-E366 VanDerWaalsContact C-N 3.31Å; F364-E366 PolarHBondContact O-N 2.91Å
367	V	91.3	Very high	94.3	Very high	15 Å²	15	24.1 Å²	24.1	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-106.1	-4.6	-177	-50.3	0	0	0	0	115.1	A363 F364 I540 V543 A546 I554	A363-V367 WeakPolarHBondContact O-CG2 3.32Å; A363-V367 PolarHBondContact O-N 3.39Å; A363-V367 VanDerWaalsContact O-N 3.15Å; F364-V367 PolarHBondContact O-N 2.68Å; V367-I540 HydrophobicContact CG2-CG2 4.12Å; V367-V543 HydrophobicContact CB-CG1 4.47Å; V367-V543 WeakPolarHBondContact O-CG2 3.34Å; V367-A546 HydrophobicContact CB-CB 4.39Å; V367-A546 HydrophobicContact CG1-CB 3.91Å; V367-I554 HydrophobicContact CG2-CD1 3.63Å
368	S	94.2	Very high	94.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.			trans	-147.4	138	-176.1	-164.9	0	0	0	0	112.8	F364 V370 Q372	F364-S368 WeakPolarHBondContact O-CB 3.35Å; F364-S368 PolarHBondContact O-N 3.05Å; S368-V370 PolarHBondContact O-N 3.37Å; S368-V370 WeakPolarHBondContact OG-CG2 3.26Å; S368-Q372 PolarHBondContact O-OE1 3.07Å; S368-Q372 VanDerWaalsContact O-OE1 3.12Å
369	P	95.1	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3	179.3	33	-32.5	0	0	0	113	L371 Q372 F373 L610 L611 M614 L616 F619 L630	P369-L371 VanDerWaalsContact C-N 3.33Å; P369-L371 PolarHBondContact O-N 2.95Å; P369-Q372 PolarHBondContact O-N 3.21Å; P369-F373 WeakPolarHBondContact O-CB 3.22Å; P369-F373 PolarHBondContact O-N 2.95Å; P369-L610 HydrophobicContact CB-CD2 4.09Å; P369-L610 HydrophobicContact CB-CG 4.38Å; P369-L611 HydrophobicContact CB-CD2 3.62Å; P369-L611 HydrophobicContact CG-CD2 3.6Å; P369-M614 HydrophobicContact CB-SD 3.77Å; P369-L616 HydrophobicContact CG-CD1 4.23Å; P369-F619 VanDerWaalsContact CD-CZ 3.42Å; P369-F619 HydrophobicContact CG-CD1 3.62Å; P369-F619 HydrophobicContact CG-CD2 4.12Å; P369-F619 HydrophobicContact CG-CE1 3.6Å; P369-F619 HydrophobicContact CG-CE2 4.12Å; P369-F619 HydrophobicContact CG-CG 3.88Å; P369-F619 HydrophobicContact CG-CZ 3.86Å; P369-L630 HydrophobicContact CG-CD2 4.26Å
370	V	96	Very high	94.9	Very high	10 Å²	10	19 Å²	19	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-41	-171.6	171.4	0	0	0	0	112.4	F364 S368 A374 L536 L630 L637 V638	F364-V370 HydrophobicContact CE1-CB 4.42Å; F364-V370 HydrophobicContact CE1-CG1 4.33Å; F364-V370 HydrophobicContact CE2-CB 4.5Å; F364-V370 HydrophobicContact CZ-CB 3.82Å; F364-V370 HydrophobicContact CZ-CG1 3.98Å; F364-V370 HydrophobicContact CZ-CG2 4.31Å; S368-V370 PolarHBondContact O-N 3.37Å; S368-V370 WeakPolarHBondContact OG-CG2 3.26Å; V370-A374 PolarHBondContact O-N 3.38Å; V370-L536 HydrophobicContact CG2-CD1 4.29Å; V370-L630 HydrophobicContact CB-CD2 4.38Å; V370-L630 HydrophobicContact CG2-CD2 3.85Å; V370-L637 HydrophobicContact CG2-CB 4.35Å; V370-L637 HydrophobicContact CG2-CD1 3.72Å; V370-V638 HydrophobicContact CG1-CG1 4.11Å
371	L	94.7	Very high	95	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-70.2	-55	180	-67.2	-179.5	0	0	0	111.3	Y361 F364 P369 F373 A374 H375 M558	Y361-L371 HydrophobicContact CD2-CD1 3.98Å; Y361-L371 HydrophobicContact CE1-CD1 4.46Å; Y361-L371 HydrophobicContact CE2-CD1 3.84Å; Y361-L371 HydrophobicContact CE2-CD2 4.24Å; Y361-L371 HydrophobicContact CG-CD1 4.37Å; F364-L371 HydrophobicContact CB-CD1 4.17Å; F364-L371 HydrophobicContact CD1-CD1 3.62Å; F364-L371 HydrophobicContact CD1-CD2 3.97Å; F364-L371 HydrophobicContact CD1-CG 3.64Å; F364-L371 HydrophobicContact CE1-CD1 4.35Å; F364-L371 HydrophobicContact CE1-CD2 3.95Å; F364-L371 HydrophobicContact CE1-CG 3.87Å; F364-L371 HydrophobicContact CG-CD1 4.17Å; F364-L371 HydrophobicContact CG-CG 4.45Å; P369-L371 VanDerWaalsContact C-N 3.33Å; P369-L371 PolarHBondContact O-N 2.95Å; L371-F373 VanDerWaalsContact C-N 3.29Å; L371-F373 PolarHBondContact O-N 3.02Å; L371-A374 WeakPolarHBondContact O-CB 3.37Å; L371-A374 PolarHBondContact O-N 3.23Å; L371-A374 VanDerWaalsContact O-N 3.1Å; L371-H375 PolarHBondContact O-CD2 3.5Å; L371-H375 PolarHBondContact O-N 3.45Å; L371-H375 PolarHBondContact O-ND1 3.06Å; L371-M558 HydrophobicContact CD2-CE 4.37Å
372	Q	95.4	Very high	95.2	Very high	29 Å²	29	19 Å²	19	14%	0.136	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-30	-177.5	-51.8	89.8	-21	0	0	112.1	S365 S368 P369 L376 L610	S365-Q372 PolarHBondContact O-NE2 3.33Å; S368-Q372 PolarHBondContact O-OE1 3.07Å; S368-Q372 VanDerWaalsContact O-OE1 3.12Å; P369-Q372 PolarHBondContact O-N 3.21Å; Q372-L376 VanDerWaalsContact O-CB 3.22Å; Q372-L376 WeakPolarHBondContact O-CB 3.49Å; Q372-L376 WeakPolarHBondContact O-CG 3.17Å; Q372-L376 PolarHBondContact O-N 2.94Å; Q372-L610 HydrophobicContact CB-CD1 3.94Å; Q372-L610 HydrophobicContact CB-CD2 3.84Å
373	F	97	Very high	95.3	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-49	170.5	172.8	-90.8	0	0	0	110.8	P369 L371 T377 A607 L610 V621 L628 L630 V638 V640	P369-F373 WeakPolarHBondContact O-CB 3.22Å; P369-F373 PolarHBondContact O-N 2.95Å; L371-F373 VanDerWaalsContact C-N 3.29Å; L371-F373 PolarHBondContact O-N 3.02Å; F373-T377 HydrophobicContact CD2-CG2 4.28Å; F373-T377 HydrophobicContact CE2-CG2 4.03Å; F373-T377 HydrophobicContact CZ-CG2 4.21Å; F373-T377 WeakPolarHBondContact O-CB 3.29Å; F373-T377 WeakPolarHBondContact O-CG2 3.38Å; F373-T377 PolarHBondContact O-N 3.39Å; F373-T377 PolarHBondContact O-OG1 3.17Å; F373-A607 HydrophobicContact CD2-CB 3.8Å; F373-A607 HydrophobicContact CE2-CB 3.78Å; F373-L610 HydrophobicContact CB-CD2 4.13Å; F373-V621 HydrophobicContact CD2-CG2 4.34Å; F373-V621 HydrophobicContact CE2-CG1 4.1Å; F373-V621 HydrophobicContact CE2-CG2 4Å; F373-L628 HydrophobicContact CZ-CB 4.02Å; F373-L630 HydrophobicContact CB-CD2 3.97Å; F373-L630 HydrophobicContact CD1-CB 3.71Å; F373-L630 HydrophobicContact CD1-CD2 4.29Å; F373-L630 HydrophobicContact CD2-CB 4Å; F373-L630 HydrophobicContact CD2-CD1 4.38Å; F373-L630 HydrophobicContact CE1-CB 3.69Å; F373-L630 HydrophobicContact CE2-CB 3.98Å; F373-L630 HydrophobicContact CG-CB 3.86Å; F373-L630 HydrophobicContact CG-CD2 4.03Å; F373-L630 HydrophobicContact CG-CG 4.39Å; F373-L630 HydrophobicContact CZ-CB 3.82Å; F373-V638 HydrophobicContact CD1-CG1 3.61Å; F373-V638 HydrophobicContact CE1-CG1 3.94Å; F373-V640 HydrophobicContact CE1-CG2 4.17Å
374	A	96	Very high	95.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-48.2	178.3	0	0	0	0	0	111.1	V370 L371 T377 C378 V511 V640	V370-A374 PolarHBondContact O-N 3.38Å; L371-A374 WeakPolarHBondContact O-CB 3.37Å; L371-A374 PolarHBondContact O-N 3.23Å; L371-A374 VanDerWaalsContact O-N 3.1Å; A374-T377 PolarHBondContact O-OG1 2.95Å; A374-C378 WeakPolarHBondContact O-CB 3.36Å; A374-C378 PolarHBondContact O-N 2.81Å; A374-V511 HydrophobicContact CB-CG1 4.06Å; A374-V640 HydrophobicContact CB-CG2 4.47Å
375	H	95.2	Very high	95.5	Very high	11 Å²	11	19.9 Å²	19.9	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-61.1	-52.7	-179.9	-54.8	156.1	0	0	0	112.1	Y361 L371 T377 C378 V379 E403 Q404	Y361-H375 PolarHBondContact OH-CE1 3.01Å; L371-H375 PolarHBondContact O-CD2 3.5Å; L371-H375 PolarHBondContact O-N 3.45Å; L371-H375 PolarHBondContact O-ND1 3.06Å; H375-T377 PolarHBondContact O-N 2.7Å; H375-C378 PolarHBondContact O-N 2.83Å; H375-V379 WeakPolarHBondContact O-CB 3.4Å; H375-V379 VanDerWaalsContact O-CG2 3.29Å; H375-V379 WeakPolarHBondContact O-CG2 3.41Å; H375-V379 PolarHBondContact O-N 3.08Å; H375-E403 IonicContact CE1-OE1 3.02Å; H375-E403 IonicContact CE1-OE2 3.34Å; H375-E403 IonicContact ND1-OE1 3.45Å; H375-E403 PolarHBondContact ND1-OE1 2.69Å; H375-E403 IonicContact ND1-OE2 2.67Å; H375-Q404 HydrophobicContact CB-CB 4.28Å; H375-Q404 HydrophobicContact CB-CG 4.36Å
376	L	95.3	Very high	95.7	Very high	28 Å²	28	19.4 Å²	19.4	15%	0.147	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-37.5	-176.7	-68.1	172.2	0	0	0	112.3	Q372 Q380 L610	Q372-L376 VanDerWaalsContact O-CB 3.22Å; Q372-L376 WeakPolarHBondContact O-CB 3.49Å; Q372-L376 WeakPolarHBondContact O-CG 3.17Å; Q372-L376 PolarHBondContact O-N 2.94Å; L376-Q380 VanDerWaalsContact O-CA 3.31Å; L376-Q380 WeakPolarHBondContact O-CA 3.48Å; L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 PolarHBondContact O-N 2.92Å; L376-L610 HydrophobicContact CD1-CD2 4.42Å
377	T	96.9	Very high	95.9	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-76.6	-29.2	177.2	57.7	0	0	0	0	112.8	F373 A374 H375 Q380 A381 A607 L628 V640	F373-T377 HydrophobicContact CD2-CG2 4.28Å; F373-T377 HydrophobicContact CE2-CG2 4.03Å; F373-T377 HydrophobicContact CZ-CG2 4.21Å; F373-T377 WeakPolarHBondContact O-CB 3.29Å; F373-T377 WeakPolarHBondContact O-CG2 3.38Å; F373-T377 PolarHBondContact O-N 3.39Å; F373-T377 PolarHBondContact O-OG1 3.17Å; A374-T377 PolarHBondContact O-OG1 2.95Å; H375-T377 PolarHBondContact O-N 2.7Å; T377-Q380 WeakPolarHBondContact O-CA 3.39Å; T377-Q380 PolarHBondContact O-N 3.04Å; T377-A381 PolarHBondContact O-N 3.46Å; T377-A381 VanDerWaalsContact O-N 3.12Å; T377-A607 HydrophobicContact CG2-CB 4.21Å; T377-L628 HydrophobicContact CG2-CB 4.38Å; T377-L628 HydrophobicContact CG2-CD1 3.78Å; T377-V640 WeakPolarHBondContact OG1-CB 3.4Å; T377-V640 VanDerWaalsContact OG1-CG2 3.27Å; T377-V640 WeakPolarHBondContact OG1-CG2 3.44Å
378	C	96.8	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.1	-49.1	173.2	-175.8	0	0	0	0	112.2	A374 H375 Q380 A381 V382 Q404 V509 V640	A374-C378 WeakPolarHBondContact O-CB 3.36Å; A374-C378 PolarHBondContact O-N 2.81Å; H375-C378 PolarHBondContact O-N 2.83Å; C378-Q380 PolarHBondContact O-N 3.38Å; C378-A381 PolarHBondContact O-N 3.38Å; C378-V382 WeakPolarHBondContact O-CG2 3.42Å; C378-V382 PolarHBondContact O-N 2.83Å; C378-Q404 HydrophobicContact CB-CG 4.45Å; C378-Q404 PolarHBondContact SG-NE2 3.08Å; C378-V509 HydrophobicContact CB-CG1 4.11Å; C378-V509 VanDerWaalsContact SG-CG1 3.56Å; C378-V640 HydrophobicContact CB-CG1 4.43Å
379	V	97	Very high	96.1	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-39.9	169.4	172.3	0	0	0	0	110	H375 A381 V382 L383 Q404 L408 E411	H375-V379 WeakPolarHBondContact O-CB 3.4Å; H375-V379 VanDerWaalsContact O-CG2 3.29Å; H375-V379 WeakPolarHBondContact O-CG2 3.41Å; H375-V379 PolarHBondContact O-N 3.08Å; V379-A381 PolarHBondContact O-N 3.39Å; V379-V382 PolarHBondContact O-N 2.72Å; V379-L383 HydrophobicContact CG1-CD1 3.66Å; V379-L383 HydrophobicContact CG1-CG 4.19Å; V379-L383 WeakPolarHBondContact O-CB 3.31Å; V379-L383 WeakPolarHBondContact O-CG 3.37Å; V379-L383 PolarHBondContact O-N 2.74Å; V379-Q404 HydrophobicContact CG2-CG 4.01Å; V379-Q404 WeakPolarHBondContact CG2-O 3.19Å; V379-L408 HydrophobicContact CG1-CB 4.25Å; V379-L408 HydrophobicContact CG1-CD1 4.09Å; V379-L408 HydrophobicContact CG2-CB 4.11Å; V379-E411 HydrophobicContact CG1-CG 4.44Å
380	Q	97.5	Very high	96.1	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.023	16%	0.156	C	C	.	.	H	α-helix	trans	-35.8	-68.3	167.6	-162.1	118.2	58	0	0	111.4	L376 T377 C378 L383 D384 F602 A603	L376-Q380 VanDerWaalsContact O-CA 3.31Å; L376-Q380 WeakPolarHBondContact O-CA 3.48Å; L376-Q380 WeakPolarHBondContact O-CB 3.27Å; L376-Q380 PolarHBondContact O-N 2.92Å; T377-Q380 WeakPolarHBondContact O-CA 3.39Å; T377-Q380 PolarHBondContact O-N 3.04Å; C378-Q380 PolarHBondContact O-N 3.38Å; Q380-L383 PolarHBondContact O-N 3.43Å; Q380-D384 PolarHBondContact NE2-OD1 3.44Å; Q380-D384 VanDerWaalsContact O-CG 3.27Å; Q380-D384 PolarHBondContact O-N 3.42Å; Q380-F602 HydrophobicContact CG-CD1 4.02Å; Q380-F602 VanDerWaalsContact OE1-CE1 3.26Å; Q380-A603 HydrophobicContact CB-CB 4.42Å; Q380-A603 HydrophobicContact CG-CB 4.06Å
381	A	97.2	Very high	96.2	Very high	14 Å²	14	28.5 Å²	28.5	12%	0.116	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-34.5	-176.7	0	0	0	0	0	114.9	T377 C378 V379 D384 E385 V509 A642	T377-A381 PolarHBondContact O-N 3.46Å; T377-A381 VanDerWaalsContact O-N 3.12Å; C378-A381 PolarHBondContact O-N 3.38Å; V379-A381 PolarHBondContact O-N 3.39Å; A381-D384 PolarHBondContact O-N 3.27Å; A381-E385 PolarHBondContact O-N 3.13Å; A381-V509 HydrophobicContact CB-CG1 4.43Å; A381-V509 HydrophobicContact CB-CG2 3.85Å; A381-A642 HydrophobicContact CB-CB 3.6Å
382	V	97.6	Very high	96.3	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-40.7	175.5	175	0	0	0	0	110.4	C378 V379 L386 L408 A480 V509	C378-V382 WeakPolarHBondContact O-CG2 3.42Å; C378-V382 PolarHBondContact O-N 2.83Å; V379-V382 PolarHBondContact O-N 2.72Å; V382-L386 WeakPolarHBondContact O-CA 3.44Å; V382-L386 VanDerWaalsContact O-CB 3.3Å; V382-L386 WeakPolarHBondContact O-CB 3.36Å; V382-L386 PolarHBondContact O-N 2.98Å; V382-L408 HydrophobicContact CG1-CD1 4.33Å; V382-L408 HydrophobicContact CG1-CD2 4.24Å; V382-A480 HydrophobicContact CG1-CB 4.16Å; V382-A480 HydrophobicContact CG2-CB 4.08Å; V382-V509 HydrophobicContact CG2-CG2 4.13Å
383	L	97.2	Very high	96.5	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-37.3	175.7	-69.2	170.7	0	0	0	112.6	V379 Q380 E385 G387 L408 E411 L412	V379-L383 HydrophobicContact CG1-CD1 3.66Å; V379-L383 HydrophobicContact CG1-CG 4.19Å; V379-L383 WeakPolarHBondContact O-CB 3.31Å; V379-L383 WeakPolarHBondContact O-CG 3.37Å; V379-L383 PolarHBondContact O-N 2.74Å; Q380-L383 PolarHBondContact O-N 3.43Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 2.78Å; L383-G387 VanDerWaalsContact O-CA 3.31Å; L383-G387 WeakPolarHBondContact O-CA 3.32Å; L383-G387 PolarHBondContact O-N 3.2Å; L383-L408 HydrophobicContact CD2-CD1 3.72Å; L383-L408 HydrophobicContact CG-CD1 3.93Å; L383-E411 HydrophobicContact CD1-CB 3.59Å; L383-E411 HydrophobicContact CD1-CG 3.83Å; L383-E411 HydrophobicContact CD2-CB 4.36Å; L383-L412 HydrophobicContact CD2-CD2 4.1Å
384	D	96.3	Very high	96.5	Very high	70 Å²	70	26.7 Å²	26.7	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-35.4	178.1	-74.4	-19.7	0	0	0	112.4	Q380 A381 S600	Q380-D384 PolarHBondContact NE2-OD1 3.44Å; Q380-D384 VanDerWaalsContact O-CG 3.27Å; Q380-D384 PolarHBondContact O-N 3.42Å; A381-D384 PolarHBondContact O-N 3.27Å; D384-S600 WeakPolarHBondContact OD2-CB 3.44Å; D384-S600 PolarHBondContact OD2-OG 3.26Å
385	E	96.4	Very high	96.6	Very high	58 Å²	58	26.9 Å²	26.9	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-95.9	-31.7	179.3	-64.7	-71.4	128	0	0	114.1	A381 L383 V507 R644	A381-E385 PolarHBondContact O-N 3.13Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 2.78Å; E385-V507 HydrophobicContact CB-CB 4.03Å; E385-V507 HydrophobicContact CB-CG1 4.22Å; E385-V507 HydrophobicContact CB-CG2 4.46Å; E385-V507 HydrophobicContact CG-CB 3.99Å; E385-V507 HydrophobicContact CG-CG2 3.96Å; E385-R644 IonicContact OE1-CZ 2.76Å; E385-R644 IonicContact OE1-NE 3.52Å; E385-R644 IonicContact OE1-NH2 3.33Å; E385-R644 PolarHBondContact OE1-NH2 3.48Å; E385-R644 IonicContact OE2-CZ 2.7Å; E385-R644 VanDerWaalsContact OE2-CZ 3.28Å; E385-R644 IonicContact OE2-NE 3.59Å; E385-R644 PolarHBondContact OE2-NE 3.09Å; E385-R644 IonicContact OE2-NH2 2.69Å; E385-R644 PolarHBondContact OE2-NH2 3.41Å
386	L	96.7	Very high	96.6	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-123.9	-0.5	-170.1	-55.4	-174.6	0	0	0	115.4	V382 A388 A389 I392 A478 A480 K506 V507	V382-L386 WeakPolarHBondContact O-CA 3.44Å; V382-L386 VanDerWaalsContact O-CB 3.3Å; V382-L386 WeakPolarHBondContact O-CB 3.36Å; V382-L386 PolarHBondContact O-N 2.98Å; L386-A388 PolarHBondContact O-N 3.31Å; L386-A389 WeakPolarHBondContact O-CB 3.39Å; L386-A389 PolarHBondContact O-N 2.71Å; L386-I392 HydrophobicContact CB-CD1 4.48Å; L386-I392 HydrophobicContact CB-CG1 4.44Å; L386-I392 HydrophobicContact CD1-CG2 4.28Å; L386-A478 HydrophobicContact CD1-CB 4.25Å; L386-A478 WeakPolarHBondContact CD1-O 3.49Å; L386-A478 HydrophobicContact CD2-CB 3.98Å; L386-A480 HydrophobicContact CD1-CB 3.72Å; L386-K506 HydrophobicContact CD2-CB 3.55Å; L386-K506 HydrophobicContact CD2-CG 3.83Å; L386-V507 HydrophobicContact CD1-CG1 4.18Å; L386-V507 HydrophobicContact CG-CG1 4.27Å
387	G	93.2	Very high	96.5	Very high	23 Å²	23	27 Å²	27	24%	0.237	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-6.9	-175.1	0	0	0	0	0	116.2	L383 S416	L383-G387 VanDerWaalsContact O-CA 3.31Å; L383-G387 WeakPolarHBondContact O-CA 3.32Å; L383-G387 PolarHBondContact O-N 3.2Å; G387-S416 PolarHBondContact O-OG 2.88Å
388	A	93.6	Very high	96.3	Very high	104 Å²	104	28 Å²	28	86%	0.86	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	1.8	173.6	0	0	0	0	0	114	L386	L386-A388 PolarHBondContact O-N 3.31Å
389	A	96.6	Very high	96.1	Very high	26 Å²	26	28.3 Å²	28.3	22%	0.215	18%	0.176	C	C	.	.			trans	-86.8	130.3	-178.8	0	0	0	0	0	112.1	L386 R391 I392 A478	L386-A389 WeakPolarHBondContact O-CB 3.39Å; L386-A389 PolarHBondContact O-N 2.71Å; A389-R391 VanDerWaalsContact C-N 3.26Å; A389-R391 PolarHBondContact O-N 2.86Å; A389-I392 HydrophobicContact CB-CG1 4.02Å; A389-A478 HydrophobicContact CB-CB 3.45Å; A389-A478 VanDerWaalsContact CB-CB 3.45Å
390	G	96	Very high	95.8	Very high	49 Å²	49	29.4 Å²	29.4	51%	0.505	19%	0.188	S	C	.	.	S	Bend	trans	-70.5	-17.3	177.6	0	0	0	0	0	114.9	A419 T420	G390-A419 WeakPolarHBondContact O-CA 3.42Å; G390-T420 PolarHBondContact O-N 3.2Å
391	R	97.2	Very high	95.5	Very high	133 Å²	133	29.5 Å²	29.5	50%	0.502	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118.5	171.2	-53.1	-162.9	-58.4	-125.4	-4.7	109.4	A389 T420 G476 D477 A478	A389-R391 VanDerWaalsContact C-N 3.26Å; A389-R391 PolarHBondContact O-N 2.86Å; R391-T420 WeakPolarHBondContact CG-OG1 3.37Å; R391-G476 PolarHBondContact NH2-O 3.45Å; R391-D477 VanDerWaalsContact CB-OD1 3.27Å; R391-D477 WeakPolarHBondContact CB-OD1 3.3Å; R391-D477 WeakPolarHBondContact CD-OD1 3.21Å; R391-D477 IonicContact CZ-OD1 2.68Å; R391-D477 IonicContact NE-OD1 3.43Å; R391-D477 PolarHBondContact NE-OD1 2.98Å; R391-D477 IonicContact NH2-OD1 2.78Å; R391-A478 VanDerWaalsContact O-CB 3.3Å; R391-A478 WeakPolarHBondContact O-CB 3.38Å; R391-A478 PolarHBondContact O-N 3.09Å
392	I	98.1	Very high	95.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.9	-179.8	-62	170.1	0	0	0	108	L386 A389 V394 L412 T420 L421 K422	L386-I392 HydrophobicContact CB-CD1 4.48Å; L386-I392 HydrophobicContact CB-CG1 4.44Å; L386-I392 HydrophobicContact CD1-CG2 4.28Å; A389-I392 HydrophobicContact CB-CG1 4.02Å; I392-V394 HydrophobicContact CG2-CG2 4.4Å; I392-L412 HydrophobicContact CD1-CD1 4.27Å; I392-L412 HydrophobicContact CD1-CD2 3.71Å; I392-T420 PolarHBondContact N-O 3.45Å; I392-L421 HydrophobicContact CB-CD1 4.24Å; I392-L421 HydrophobicContact CG2-CD1 4.04Å; I392-K422 PolarHBondContact O-N 3.02Å
393	H	97.9	Very high	95	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.5	174.7	-174.5	-176.3	0	0	0	109.8	K422 T424 I473 D477 A478 V479 A480	H393-K422 CarbonylContact C-O 3.51Å; H393-K422 WeakPolarHBondContact CA-O 3.07Å; H393-K422 HydrophobicContact CB-CB 4.16Å; H393-T424 WeakPolarHBondContact NE2-CB 3.49Å; H393-T424 PolarHBondContact NE2-OG1 3.45Å; H393-I473 PolarHBondContact CE1-O 2.71Å; H393-D477 HydrophobicContact CB-CB 3.67Å; H393-A478 PolarHBondContact N-O 2.58Å; H393-V479 HydrophobicContact CB-CG2 4.34Å; H393-V479 CarbonylContact O-C 3.04Å; H393-V479 VanDerWaalsContact O-CA 3.27Å; H393-V479 WeakPolarHBondContact O-CA 3.26Å; H393-A480 PolarHBondContact O-N 3.05Å
394	V	98.1	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.6	171.1	175.9	0	0	0	0	109.3	I392 D396 W405 L408 L421 K422 V423 T424	I392-V394 HydrophobicContact CG2-CG2 4.4Å; V394-D396 HydrophobicContact CG1-CB 4.4Å; V394-W405 HydrophobicContact CG1-CD2 3.99Å; V394-W405 HydrophobicContact CG1-CE3 4.04Å; V394-W405 HydrophobicContact CG1-CH2 3.49Å; V394-W405 VanDerWaalsContact CG1-CH2 3.49Å; V394-W405 HydrophobicContact CG1-CZ2 3.4Å; V394-W405 HydrophobicContact CG1-CZ3 3.81Å; V394-W405 HydrophobicContact CG2-CE3 4.06Å; V394-W405 HydrophobicContact CG2-CH2 4.41Å; V394-W405 HydrophobicContact CG2-CZ3 3.94Å; V394-L408 HydrophobicContact CG2-CD2 3.92Å; V394-L421 HydrophobicContact CG2-CD1 4.05Å; V394-K422 PolarHBondContact N-O 3.31Å; V394-V423 HydrophobicContact CB-CG2 4.46Å; V394-V423 CarbonylContact O-C 3.58Å; V394-V423 WeakPolarHBondContact O-CA 3.14Å; V394-T424 PolarHBondContact O-N 3.19Å
395	L	97.1	Very high	94.9	Very high	4 Å²	4	26 Å²	26	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.6	162.6	-174.8	68.1	0	0	0	108.8	L397 T424 L426 L470 A480 V481 H482 L503	L395-L397 HydrophobicContact CD2-CD1 4.31Å; L395-L397 HydrophobicContact CG-CD1 4.14Å; L395-T424 HydrophobicContact CD1-CG2 3.82Å; L395-L426 HydrophobicContact CD1-CD1 3.85Å; L395-L426 HydrophobicContact CD1-CD2 4.06Å; L395-L426 HydrophobicContact CD1-CG 3.68Å; L395-L426 HydrophobicContact CD2-CD1 4.1Å; L395-L426 HydrophobicContact CG-CD1 4.16Å; L395-L426 HydrophobicContact CG-CG 4.34Å; L395-L470 HydrophobicContact CD1-CD1 3.73Å; L395-L470 HydrophobicContact CD2-CD1 4.33Å; L395-L470 HydrophobicContact CD2-CD2 3.97Å; L395-A480 PolarHBondContact N-O 2.94Å; L395-V481 HydrophobicContact CB-CG1 4.48Å; L395-V481 HydrophobicContact CB-CG2 4.29Å; L395-V481 HydrophobicContact CD2-CG1 4.37Å; L395-V481 HydrophobicContact CD2-CG2 4.44Å; L395-V481 CarbonylContact O-C 3.59Å; L395-V481 VanDerWaalsContact O-CA 3.31Å; L395-V481 WeakPolarHBondContact O-CA 3.32Å; L395-H482 PolarHBondContact O-N 2.79Å; L395-L503 HydrophobicContact CD2-CD1 3.49Å; L395-L503 VanDerWaalsContact CD2-CD1 3.49Å
396	D	96.1	Very high	94.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.9	-174.2	-165.6	-11	0	0	0	111.7	V394 D398 I399 W405 T424 A425 L426 H482	V394-D396 HydrophobicContact CG1-CB 4.4Å; D396-D398 VanDerWaalsContact OD1-C 3.24Å; D396-D398 WeakPolarHBondContact OD1-CA 3.41Å; D396-D398 PolarHBondContact OD1-N 3.11Å; D396-I399 HydrophobicContact CB-CD1 4.33Å; D396-I399 PolarHBondContact OD1-N 2.93Å; D396-I399 WeakPolarHBondContact OD2-CA 3.26Å; D396-W405 HydrophobicContact CB-CZ2 4.32Å; D396-W405 VanDerWaalsContact OD2-CE2 3.29Å; D396-W405 WeakPolarHBondContact OD2-CZ2 3.21Å; D396-W405 PolarHBondContact OD2-NE1 3.05Å; D396-T424 PolarHBondContact N-O 3.34Å; D396-A425 CarbonylContact O-C 3.58Å; D396-A425 WeakPolarHBondContact O-CA 3.42Å; D396-L426 PolarHBondContact O-N 2.83Å; D396-H482 HydrophobicContact CB-CB 4.44Å; D396-H482 IonicContact OD1-CE1 3.93Å; D396-H482 IonicContact OD1-CG 2.94Å; D396-H482 IonicContact OD1-ND1 3.54Å; D396-H482 PolarHBondContact OD1-ND1 3.4Å; D396-H482 IonicContact OD2-ND1 3.74Å
397	L	93.8	Very high	94.8	Very high	40 Å²	40	23.1 Å²	23.1	21%	0.209	16%	0.155	C	C	.	.	S	Bend	trans	-104.2	4.2	178	-72.2	77.7	0	0	0	112.5	L395 L426 V481 H482 L483 P484 V496	L395-L397 HydrophobicContact CD2-CD1 4.31Å; L395-L397 HydrophobicContact CG-CD1 4.14Å; L397-L426 HydrophobicContact CD1-CD1 4.15Å; L397-L426 HydrophobicContact CG-CB 4.24Å; L397-L426 HydrophobicContact CG-CD1 4.2Å; L397-V481 HydrophobicContact CD1-CG1 3.94Å; L397-H482 PolarHBondContact N-O 3.03Å; L397-H482 VanDerWaalsContact N-O 3.11Å; L397-L483 HydrophobicContact CD2-CD1 4.04Å; L397-P484 HydrophobicContact CB-CG 4.15Å; L397-V496 HydrophobicContact CD2-CG1 3.97Å
398	D	91.5	Very high	95	Very high	28 Å²	28	22 Å²	22	15%	0.15	14%	0.144	C	C	.	.			trans	-148.4	57	179.2	-173.1	51.7	0	0	0	110.7	D396 G400 P484 R513	D396-D398 VanDerWaalsContact OD1-C 3.24Å; D396-D398 WeakPolarHBondContact OD1-CA 3.41Å; D396-D398 PolarHBondContact OD1-N 3.11Å; D398-G400 PolarHBondContact O-N 2.68Å; D398-P484 HydrophobicContact CB-CB 4Å; D398-P484 HydrophobicContact CB-CG 3.99Å; D398-R513 IonicContact OD2-CZ 2.61Å; D398-R513 VanDerWaalsContact OD2-CZ 3.24Å; D398-R513 IonicContact OD2-NH1 3.65Å; D398-R513 PolarHBondContact OD2-NH1 2.92Å; D398-R513 IonicContact OD2-NH2 3.72Å; D398-R513 PolarHBondContact OD2-NH2 3.18Å
399	I	93.9	Very high	95.2	Very high	7 Å²	7	17 Å²	17	4%	0.036	10%	0.103	C	C	.	.			trans	-57.3	-24.3	-170.3	-170.6	59.4	0	0	0	115.2	D396 M401 G402 V423 A425 V427 I440 F457	D396-I399 HydrophobicContact CB-CD1 4.33Å; D396-I399 PolarHBondContact OD1-N 2.93Å; D396-I399 WeakPolarHBondContact OD2-CA 3.26Å; I399-M401 PolarHBondContact O-N 2.85Å; I399-M401 VanDerWaalsContact O-N 3.17Å; I399-G402 PolarHBondContact O-N 2.98Å; I399-V423 HydrophobicContact CD1-CG1 4.25Å; I399-A425 HydrophobicContact CB-CB 3.92Å; I399-A425 HydrophobicContact CD1-CB 4.26Å; I399-A425 HydrophobicContact CG1-CB 3.88Å; I399-A425 HydrophobicContact CG2-CB 4.19Å; I399-V427 HydrophobicContact CG2-CG1 3.85Å; I399-I440 HydrophobicContact CG1-CG2 4.28Å; I399-F457 HydrophobicContact CD1-CE2 4.27Å; I399-F457 HydrophobicContact CG1-CE2 4.5Å
400	G	90.3	Very high	95.1	Very high	28 Å²	28	17.6 Å²	17.6	29%	0.289	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-120.4	178.2	0	0	0	0	0	111.5	D398 I440	D398-G400 PolarHBondContact O-N 2.68Å; G400-I440 WeakPolarHBondContact O-CD1 3.29Å
401	M	91.1	Very high	95.1	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.034	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	15.6	175.5	-55.4	-58	176.6	0	0	113.2	F222 K357 L358 Y361 I399 E403 E436	F222-M401 HydrophobicContact CE1-CB 4.14Å; F222-M401 HydrophobicContact CZ-CB 4.17Å; F222-M401 HydrophobicContact CZ-CG 4.46Å; K357-M401 HydrophobicContact CB-CE 4.49Å; K357-M401 HydrophobicContact CD-CE 4.02Å; K357-M401 HydrophobicContact CG-CE 3.75Å; L358-M401 HydrophobicContact CD2-CE 4.01Å; L358-M401 HydrophobicContact CD2-CG 4.32Å; L358-M401 HydrophobicContact CD2-SD 3.46Å; L358-M401 WeakPolarHBondContact CD2-SD 3.35Å; L358-M401 HydrophobicContact CG-CE 4.32Å; L358-M401 HydrophobicContact CG-SD 4.31Å; Y361-M401 HydrophobicContact CD1-CB 4.16Å; Y361-M401 HydrophobicContact CD1-CG 3.66Å; Y361-M401 HydrophobicContact CD2-CG 3.6Å; Y361-M401 HydrophobicContact CE1-CB 3.75Å; Y361-M401 HydrophobicContact CE1-CG 3.73Å; Y361-M401 HydrophobicContact CE2-CB 4.13Å; Y361-M401 HydrophobicContact CE2-CG 3.67Å; Y361-M401 HydrophobicContact CG-CE 4.44Å; Y361-M401 HydrophobicContact CG-CG 3.58Å; I399-M401 PolarHBondContact O-N 2.85Å; I399-M401 VanDerWaalsContact O-N 3.17Å; M401-E403 PolarHBondContact O-N 3.05Å; M401-E403 VanDerWaalsContact O-N 3.08Å; M401-E436 WeakPolarHBondContact CE-OE1 3.5Å
402	G	92.9	Very high	95.1	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.06	C	C	.	.	S	Bend	trans	72	-8.5	179.3	0	0	0	0	0	116.8	I399 Q404 W405 A406	I399-G402 PolarHBondContact O-N 2.98Å; G402-Q404 PolarHBondContact O-N 3.5Å; G402-W405 PolarHBondContact O-N 2.86Å; G402-A406 PolarHBondContact O-N 3.22Å; G402-A406 VanDerWaalsContact O-N 3.17Å
403	E	91.8	Very high	95	Very high	14 Å²	14	11.7 Å²	11.7	7%	0.065	7%	0.07	C	C	.	.	H	α-helix	trans	-51.7	-33.3	-176.8	-166.2	-163.1	122.7	0	0	114.1	F223 H226 Y361 H375 M401 W405 A406 S407	F223-E403 HydrophobicContact CD1-CG 4.27Å; F223-E403 HydrophobicContact CE1-CB 4.15Å; F223-E403 HydrophobicContact CE1-CG 4.24Å; H226-E403 IonicContact CE1-OE1 2.66Å; Y361-E403 WeakPolarHBondContact CE1-OE2 3.13Å; Y361-E403 WeakPolarHBondContact OH-CB 3.35Å; Y361-E403 PolarHBondContact OH-OE2 3.36Å; H375-E403 IonicContact CE1-OE1 3.02Å; H375-E403 IonicContact CE1-OE2 3.34Å; H375-E403 IonicContact ND1-OE1 3.45Å; H375-E403 PolarHBondContact ND1-OE1 2.69Å; H375-E403 IonicContact ND1-OE2 2.67Å; M401-E403 PolarHBondContact O-N 3.05Å; M401-E403 VanDerWaalsContact O-N 3.08Å; E403-W405 VanDerWaalsContact C-N 3.29Å; E403-W405 PolarHBondContact O-N 3Å; E403-A406 PolarHBondContact O-N 3.39Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.87Å
404	Q	94.4	Very high	94.8	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-38.8	173.7	-170.6	161.7	-89.1	0	0	112.3	H375 C378 V379 G402 S407 L408	H375-Q404 HydrophobicContact CB-CB 4.28Å; H375-Q404 HydrophobicContact CB-CG 4.36Å; C378-Q404 HydrophobicContact CB-CG 4.45Å; C378-Q404 PolarHBondContact SG-NE2 3.08Å; V379-Q404 HydrophobicContact CG2-CG 4.01Å; V379-Q404 WeakPolarHBondContact CG2-O 3.19Å; G402-Q404 PolarHBondContact O-N 3.5Å; Q404-S407 WeakPolarHBondContact O-CB 3.37Å; Q404-L408 PolarHBondContact O-N 2.64Å; Q404-L408 VanDerWaalsContact O-N 3.08Å
405	W	96.1	Very high	94.6	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-88.5	-24.8	-179	-47.5	123.8	0	0	0	112.9	V394 D396 G402 E403 S407 L408 M409 V423 L444 H482	V394-W405 HydrophobicContact CG1-CD2 3.99Å; V394-W405 HydrophobicContact CG1-CE3 4.04Å; V394-W405 HydrophobicContact CG1-CH2 3.49Å; V394-W405 VanDerWaalsContact CG1-CH2 3.49Å; V394-W405 HydrophobicContact CG1-CZ2 3.4Å; V394-W405 HydrophobicContact CG1-CZ3 3.81Å; V394-W405 HydrophobicContact CG2-CE3 4.06Å; V394-W405 HydrophobicContact CG2-CH2 4.41Å; V394-W405 HydrophobicContact CG2-CZ3 3.94Å; D396-W405 HydrophobicContact CB-CZ2 4.32Å; D396-W405 VanDerWaalsContact OD2-CE2 3.29Å; D396-W405 WeakPolarHBondContact OD2-CZ2 3.21Å; D396-W405 PolarHBondContact OD2-NE1 3.05Å; G402-W405 PolarHBondContact O-N 2.86Å; E403-W405 VanDerWaalsContact C-N 3.29Å; E403-W405 PolarHBondContact O-N 3Å; W405-S407 VanDerWaalsContact C-N 3.33Å; W405-L408 HydrophobicContact CE3-CB 4.16Å; W405-L408 HydrophobicContact CE3-CD2 3.78Å; W405-L408 HydrophobicContact CZ3-CD2 4.14Å; W405-L408 PolarHBondContact O-N 3.23Å; W405-M409 WeakPolarHBondContact O-CG 3.22Å; W405-M409 PolarHBondContact O-N 3.45Å; W405-V423 HydrophobicContact CB-CG2 4.15Å; W405-V423 HydrophobicContact CG-CG1 4.27Å; W405-V423 HydrophobicContact CG-CG2 4.21Å; W405-L444 HydrophobicContact CB-CD2 4.47Å; W405-H482 HydrophobicContact CH2-CB 4.08Å; W405-H482 HydrophobicContact CZ2-CB 3.85Å
406	A	96.2	Very high	94.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-48	161.5	0	0	0	0	0	110.6	F223 G402 E403 L408 M409 Q410 L444 F447	F223-A406 HydrophobicContact CD1-CB 4.17Å; F223-A406 HydrophobicContact CD2-CB 4.33Å; F223-A406 HydrophobicContact CE1-CB 3.88Å; F223-A406 HydrophobicContact CE2-CB 4.03Å; F223-A406 HydrophobicContact CG-CB 4.41Å; F223-A406 HydrophobicContact CZ-CB 3.81Å; G402-A406 PolarHBondContact O-N 3.22Å; G402-A406 VanDerWaalsContact O-N 3.17Å; E403-A406 PolarHBondContact O-N 3.39Å; A406-L408 VanDerWaalsContact C-N 3.34Å; A406-L408 PolarHBondContact O-N 3.49Å; A406-M409 PolarHBondContact O-N 3.2Å; A406-M409 VanDerWaalsContact O-N 3.14Å; A406-Q410 PolarHBondContact O-N 2.94Å; A406-L444 HydrophobicContact CB-CD2 4.21Å; A406-F447 HydrophobicContact CB-CD1 3.77Å; A406-F447 HydrophobicContact CB-CE1 3.89Å; A406-F447 WeakPolarHBondContact O-CE1 3.4Å
407	S	95.4	Very high	94.1	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-41	176	-56.8	0	0	0	0	112.3	E403 Q404 W405 Q410 E411	E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 2.87Å; Q404-S407 WeakPolarHBondContact O-CB 3.37Å; W405-S407 VanDerWaalsContact C-N 3.33Å; S407-Q410 PolarHBondContact O-N 3.46Å; S407-E411 PolarHBondContact O-N 3.35Å
408	L	97.2	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.3	-178.4	60.6	0	0	0	112.5	V379 V382 L383 V394 Q404 W405 A406 Q410 E411 L412 L421	V379-L408 HydrophobicContact CG1-CB 4.25Å; V379-L408 HydrophobicContact CG1-CD1 4.09Å; V379-L408 HydrophobicContact CG2-CB 4.11Å; V382-L408 HydrophobicContact CG1-CD1 4.33Å; V382-L408 HydrophobicContact CG1-CD2 4.24Å; L383-L408 HydrophobicContact CD2-CD1 3.72Å; L383-L408 HydrophobicContact CG-CD1 3.93Å; V394-L408 HydrophobicContact CG2-CD2 3.92Å; Q404-L408 PolarHBondContact O-N 2.64Å; Q404-L408 VanDerWaalsContact O-N 3.08Å; W405-L408 HydrophobicContact CE3-CB 4.16Å; W405-L408 HydrophobicContact CE3-CD2 3.78Å; W405-L408 HydrophobicContact CZ3-CD2 4.14Å; W405-L408 PolarHBondContact O-N 3.23Å; A406-L408 VanDerWaalsContact C-N 3.34Å; A406-L408 PolarHBondContact O-N 3.49Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; L408-Q410 PolarHBondContact O-N 3.1Å; L408-E411 PolarHBondContact O-N 3.35Å; L408-L412 HydrophobicContact CD1-CD1 4.27Å; L408-L412 HydrophobicContact CD1-CG 4.19Å; L408-L412 HydrophobicContact CG-CD1 3.98Å; L408-L412 HydrophobicContact CG-CG 4.32Å; L408-L412 WeakPolarHBondContact O-CG 3.31Å; L408-L412 PolarHBondContact O-N 3.09Å; L408-L421 HydrophobicContact CD2-CD1 3.72Å; L408-L421 HydrophobicContact CD2-CD2 4.12Å; L408-L421 HydrophobicContact CG-CD2 4.39Å
409	M	97.2	Very high	94.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-39.7	178.2	-73.8	-173.4	-76.4	0	0	112.3	W405 A406 E411 L412 A413 L421 L444 F447 A448 L451 V453 L455	W405-M409 WeakPolarHBondContact O-CG 3.22Å; W405-M409 PolarHBondContact O-N 3.45Å; A406-M409 PolarHBondContact O-N 3.2Å; A406-M409 VanDerWaalsContact O-N 3.14Å; M409-E411 VanDerWaalsContact C-N 3.27Å; M409-E411 PolarHBondContact O-N 3.18Å; M409-L412 PolarHBondContact O-N 2.8Å; M409-A413 WeakPolarHBondContact O-CB 3.49Å; M409-A413 PolarHBondContact O-N 2.91Å; M409-L421 HydrophobicContact CG-CD2 3.45Å; M409-L421 VanDerWaalsContact CG-CD2 3.45Å; M409-L421 HydrophobicContact SD-CD2 4.24Å; M409-L444 HydrophobicContact CE-CB 4.26Å; M409-L444 HydrophobicContact CE-CD2 3.74Å; M409-F447 HydrophobicContact CE-CD1 4.41Å; M409-A448 HydrophobicContact CE-CB 4.46Å; M409-A448 HydrophobicContact SD-CB 3.61Å; M409-L451 HydrophobicContact CB-CD1 3.86Å; M409-V453 HydrophobicContact CB-CG2 4.44Å; M409-V453 HydrophobicContact CG-CG1 4.1Å; M409-V453 HydrophobicContact SD-CG1 4.41Å; M409-L455 HydrophobicContact CE-CD2 4.13Å; M409-L455 HydrophobicContact SD-CB 4.11Å; M409-L455 HydrophobicContact SD-CD1 4.06Å; M409-L455 HydrophobicContact SD-CD2 3.99Å; M409-L455 HydrophobicContact SD-CG 4.27Å
410	Q	95.8	Very high	94.6	Very high	38 Å²	38	30.8 Å²	30.8	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-36	176.3	-174.7	177.3	5.8	0	0	112.2	H226 A406 S407 L408 Q414 L451	H226-Q410 PolarHBondContact O-NE2 2.96Å; A406-Q410 PolarHBondContact O-N 2.94Å; S407-Q410 PolarHBondContact O-N 3.46Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; L408-Q410 PolarHBondContact O-N 3.1Å; Q410-Q414 PolarHBondContact O-NE2 3.3Å; Q410-L451 HydrophobicContact CB-CD1 4.23Å
411	E	95.5	Very high	94.9	Very high	30 Å²	30	29.6 Å²	29.6	14%	0.14	17%	0.173	C	C	.	.	H	α-helix	trans	-75.5	-40.8	176.6	-71.1	-72.5	-166.8	0	0	112.4	V379 L383 S407 L408 M409 Q414 R415	V379-E411 HydrophobicContact CG1-CG 4.44Å; L383-E411 HydrophobicContact CD1-CB 3.59Å; L383-E411 HydrophobicContact CD1-CG 3.83Å; L383-E411 HydrophobicContact CD2-CB 4.36Å; S407-E411 PolarHBondContact O-N 3.35Å; L408-E411 PolarHBondContact O-N 3.35Å; M409-E411 VanDerWaalsContact C-N 3.27Å; M409-E411 PolarHBondContact O-N 3.18Å; E411-Q414 PolarHBondContact O-N 2.84Å; E411-R415 WeakPolarHBondContact O-CB 3.26Å; E411-R415 WeakPolarHBondContact O-CG 3.37Å; E411-R415 PolarHBondContact O-N 3.3Å; E411-R415 IonicContact OE1-NH2 2.68Å; E411-R415 PolarHBondContact OE1-NH2 2.87Å; E411-R415 IonicContact OE2-CZ 3.7Å; E411-R415 IonicContact OE2-NE 3.79Å; E411-R415 PolarHBondContact OE2-NE 3.4Å; E411-R415 IonicContact OE2-NH2 2.99Å; E411-R415 PolarHBondContact OE2-NH2 3.15Å
412	L	96.2	Very high	95.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175.4	-68.5	174.9	0	0	0	112	L383 I392 L408 M409 Q414 R415 S416 A419 L421	L383-L412 HydrophobicContact CD2-CD2 4.1Å; I392-L412 HydrophobicContact CD1-CD1 4.27Å; I392-L412 HydrophobicContact CD1-CD2 3.71Å; L408-L412 HydrophobicContact CD1-CD1 4.27Å; L408-L412 HydrophobicContact CD1-CG 4.19Å; L408-L412 HydrophobicContact CG-CD1 3.98Å; L408-L412 HydrophobicContact CG-CG 4.32Å; L408-L412 WeakPolarHBondContact O-CG 3.31Å; L408-L412 PolarHBondContact O-N 3.09Å; M409-L412 PolarHBondContact O-N 2.8Å; L412-Q414 PolarHBondContact O-N 2.93Å; L412-Q414 VanDerWaalsContact O-N 3.13Å; L412-R415 PolarHBondContact O-N 3.35Å; L412-S416 CarbonylContact O-C 3.57Å; L412-S416 WeakPolarHBondContact O-CA 3.45Å; L412-S416 PolarHBondContact O-N 2.95Å; L412-A419 HydrophobicContact CD2-CB 4.42Å; L412-L421 HydrophobicContact CD1-CB 4.17Å; L412-L421 HydrophobicContact CD1-CD1 4.36Å; L412-L421 HydrophobicContact CD1-CD2 4.41Å
413	A	95.9	Very high	95.5	Very high	26 Å²	26	30.9 Å²	30.9	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-27.2	176.3	0	0	0	0	0	113.6	M409 L451 V453	M409-A413 WeakPolarHBondContact O-CB 3.49Å; M409-A413 PolarHBondContact O-N 2.91Å; A413-L451 HydrophobicContact CB-CB 4.17Å; A413-L451 HydrophobicContact CB-CD2 4.44Å; A413-V453 HydrophobicContact CB-CG2 3.82Å
414	Q	94.5	Very high	95.8	Very high	99 Å²	99	30.2 Å²	30.2	46%	0.463	18%	0.175	S	C	.	.	H	α-helix	trans	-94.5	-45.4	178.4	-68.1	172	88.8	0	0	112.4	S228 Q410 E411 L412	S228-Q414 PolarHBondContact OG-NE2 3.02Å; S228-Q414 PolarHBondContact OG-OE1 3.21Å; Q410-Q414 PolarHBondContact O-NE2 3.3Å; E411-Q414 PolarHBondContact O-N 2.84Å; L412-Q414 PolarHBondContact O-N 2.93Å; L412-Q414 VanDerWaalsContact O-N 3.13Å
415	R	93.7	Very high	95.9	Very high	98 Å²	98	29.8 Å²	29.8	37%	0.37	17%	0.173	S	C	.	.	H	α-helix	trans	-90.1	-25.9	-170.5	-58.6	-176.9	-163.3	-167	13.4	114.1	E411 L412	E411-R415 WeakPolarHBondContact O-CB 3.26Å; E411-R415 WeakPolarHBondContact O-CG 3.37Å; E411-R415 PolarHBondContact O-N 3.3Å; E411-R415 IonicContact OE1-NH2 2.68Å; E411-R415 PolarHBondContact OE1-NH2 2.87Å; E411-R415 IonicContact OE2-CZ 3.7Å; E411-R415 IonicContact OE2-NE 3.79Å; E411-R415 PolarHBondContact OE2-NE 3.4Å; E411-R415 IonicContact OE2-NH2 2.99Å; E411-R415 PolarHBondContact OE2-NH2 3.15Å; L412-R415 PolarHBondContact O-N 3.35Å
416	S	92.7	Very high	95.7	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	18%	0.175	S	C	.	.			trans	-155.6	73.1	-177.9	-78.4	0	0	0	0	111.3	G387 L412 A418 A419	G387-S416 PolarHBondContact O-OG 2.88Å; L412-S416 CarbonylContact O-C 3.57Å; L412-S416 WeakPolarHBondContact O-CA 3.45Å; L412-S416 PolarHBondContact O-N 2.95Å; S416-A418 PolarHBondContact O-N 2.9Å; S416-A419 VanDerWaalsContact O-CB 3.32Å; S416-A419 WeakPolarHBondContact O-CB 3.49Å; S416-A419 PolarHBondContact O-N 3.07Å
417	P	90.8	Very high	95.5	Very high	99 Å²	99	30.4 Å²	30.4	64%	0.643	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.3	-172	-21.6	32.3	0	0	0	115.3
418	A	94.4	Very high	95	Very high	93 Å²	93	31.1 Å²	31.1	77%	0.769	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	0.1	176.5	0	0	0	0	0	113.8	S416	S416-A418 PolarHBondContact O-N 2.9Å
419	A	96.4	Very high	94.1	Very high	5 Å²	5	35 Å²	35	4%	0.041	21%	0.207	C	C	.	.			trans	-76.9	136.4	177.9	0	0	0	0	0	111.4	G390 L412 S416	G390-A419 WeakPolarHBondContact O-CA 3.42Å; L412-A419 HydrophobicContact CD2-CB 4.42Å; S416-A419 VanDerWaalsContact O-CB 3.32Å; S416-A419 WeakPolarHBondContact O-CB 3.49Å; S416-A419 PolarHBondContact O-N 3.07Å
420	T	97.3	Very high	93.2	Very high	50 Å²	50	37.5 Å²	37.5	31%	0.307	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.7	171.2	67.4	0	0	0	0	110.3	G390 R391 I392 F454	G390-T420 PolarHBondContact O-N 3.2Å; R391-T420 WeakPolarHBondContact CG-OG1 3.37Å; I392-T420 PolarHBondContact N-O 3.45Å; T420-F454 HydrophobicContact CG2-CB 3.96Å
421	L	98.2	Very high	92.3	Very high	3 Å²	3	38 Å²	38	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.2	175.8	-179.2	63.7	0	0	0	110.6	I392 V394 L408 M409 L412 V423 V453 F454 L455 Q456	I392-L421 HydrophobicContact CB-CD1 4.24Å; I392-L421 HydrophobicContact CG2-CD1 4.04Å; V394-L421 HydrophobicContact CG2-CD1 4.05Å; L408-L421 HydrophobicContact CD2-CD1 3.72Å; L408-L421 HydrophobicContact CD2-CD2 4.12Å; L408-L421 HydrophobicContact CG-CD2 4.39Å; M409-L421 HydrophobicContact CG-CD2 3.45Å; M409-L421 VanDerWaalsContact CG-CD2 3.45Å; M409-L421 HydrophobicContact SD-CD2 4.24Å; L412-L421 HydrophobicContact CD1-CB 4.17Å; L412-L421 HydrophobicContact CD1-CD1 4.36Å; L412-L421 HydrophobicContact CD1-CD2 4.41Å; L421-V423 HydrophobicContact CD1-CG2 4.42Å; L421-V423 HydrophobicContact CD2-CG2 4.05Å; L421-V423 HydrophobicContact CG-CG2 4.02Å; L421-V453 HydrophobicContact CB-CG1 4.49Å; L421-F454 PolarHBondContact N-O 3.46Å; L421-L455 HydrophobicContact CB-CD1 4.44Å; L421-L455 HydrophobicContact CD2-CD1 4.14Å; L421-L455 HydrophobicContact CG-CD1 4.16Å; L421-L455 CarbonylContact O-C 3.54Å; L421-L455 VanDerWaalsContact O-CA 3.28Å; L421-L455 WeakPolarHBondContact O-CA 3.45Å; L421-Q456 PolarHBondContact O-N 3.36Å
422	K	98	Very high	91.8	Very high	35 Å²	35	37.8 Å²	37.8	15%	0.152	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.5	167.2	-173.1	174.2	-178.1	175	0	109.1	I392 H393 V394 Q456 I473	I392-K422 PolarHBondContact O-N 3.02Å; H393-K422 CarbonylContact C-O 3.51Å; H393-K422 WeakPolarHBondContact CA-O 3.07Å; H393-K422 HydrophobicContact CB-CB 4.16Å; V394-K422 PolarHBondContact N-O 3.31Å; K422-Q456 CarbonylContact C-O 3.54Å; K422-Q456 WeakPolarHBondContact CA-O 3.31Å; K422-Q456 HydrophobicContact CG-CB 4.24Å; K422-I473 PolarHBondContact NZ-O 3.02Å
423	V	98.1	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.3	175.3	-179.5	0	0	0	0	108.2	V394 I399 W405 L421 L455 Q456 F457 A458	V394-V423 HydrophobicContact CB-CG2 4.46Å; V394-V423 CarbonylContact O-C 3.58Å; V394-V423 WeakPolarHBondContact O-CA 3.14Å; I399-V423 HydrophobicContact CD1-CG1 4.25Å; W405-V423 HydrophobicContact CB-CG2 4.15Å; W405-V423 HydrophobicContact CG-CG1 4.27Å; W405-V423 HydrophobicContact CG-CG2 4.21Å; L421-V423 HydrophobicContact CD1-CG2 4.42Å; L421-V423 HydrophobicContact CD2-CG2 4.05Å; L421-V423 HydrophobicContact CG-CG2 4.02Å; V423-L455 HydrophobicContact CG2-CD1 3.94Å; V423-Q456 PolarHBondContact N-O 3.36Å; V423-F457 HydrophobicContact CB-CD2 4.02Å; V423-F457 HydrophobicContact CG1-CD2 3.92Å; V423-F457 HydrophobicContact CG1-CE2 4.1Å; V423-F457 WeakPolarHBondContact O-CA 3.4Å; V423-A458 PolarHBondContact O-N 3.48Å
424	T	96.9	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.2	176.9	-62.7	0	0	0	0	109.2	H393 V394 L395 D396 L426 A458 Y460 I473	H393-T424 WeakPolarHBondContact NE2-CB 3.49Å; H393-T424 PolarHBondContact NE2-OG1 3.45Å; V394-T424 PolarHBondContact O-N 3.19Å; L395-T424 HydrophobicContact CD1-CG2 3.82Å; D396-T424 PolarHBondContact N-O 3.34Å; T424-L426 HydrophobicContact CG2-CD2 4.39Å; T424-A458 CarbonylContact C-O 3.58Å; T424-A458 WeakPolarHBondContact CA-O 3.49Å; T424-Y460 HydrophobicContact CG2-CD2 3.65Å; T424-Y460 HydrophobicContact CG2-CE2 3.84Å; T424-I473 HydrophobicContact CG2-CD1 4.02Å
425	A	96.3	Very high	91.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.5	175.9	0	0	0	0	0	110.1	D396 I399 V427 F457 A458 A459 Y460	D396-A425 CarbonylContact O-C 3.58Å; D396-A425 WeakPolarHBondContact O-CA 3.42Å; I399-A425 HydrophobicContact CB-CB 3.92Å; I399-A425 HydrophobicContact CD1-CB 4.26Å; I399-A425 HydrophobicContact CG1-CB 3.88Å; I399-A425 HydrophobicContact CG2-CB 4.19Å; A425-V427 HydrophobicContact CB-CG1 4.03Å; A425-F457 HydrophobicContact CB-CE2 4.49Å; A425-F457 HydrophobicContact CB-CZ 4.33Å; A425-A458 PolarHBondContact N-O 3.33Å; A425-A459 HydrophobicContact CB-CB 4.3Å; A425-A459 WeakPolarHBondContact O-CA 3.23Å; A425-Y460 PolarHBondContact O-N 3.1Å
426	L	93.5	Very high	91.1	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.7	169.1	-61.6	-171.4	0	0	0	108.3	L395 D396 L397 T424 V462 L465 L470	L395-L426 HydrophobicContact CD1-CD1 3.85Å; L395-L426 HydrophobicContact CD1-CD2 4.06Å; L395-L426 HydrophobicContact CD1-CG 3.68Å; L395-L426 HydrophobicContact CD2-CD1 4.1Å; L395-L426 HydrophobicContact CG-CD1 4.16Å; L395-L426 HydrophobicContact CG-CG 4.34Å; D396-L426 PolarHBondContact O-N 2.83Å; L397-L426 HydrophobicContact CD1-CD1 4.15Å; L397-L426 HydrophobicContact CG-CB 4.24Å; L397-L426 HydrophobicContact CG-CD1 4.2Å; T424-L426 HydrophobicContact CG2-CD2 4.39Å; L426-V462 HydrophobicContact CB-CB 4.15Å; L426-V462 HydrophobicContact CB-CG2 4.1Å; L426-L465 HydrophobicContact CD2-CD2 3.49Å; L426-L465 VanDerWaalsContact CD2-CD2 3.49Å; L426-L470 HydrophobicContact CD1-CD2 4.1Å; L426-L470 HydrophobicContact CD2-CD1 4.49Å
427	V	91.8	Very high	91.2	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.5	-171	-65.5	0	0	0	0	110.5	L119 I399 A425 H432 L437 A459 Y460 N461 V462	L119-V427 HydrophobicContact CD1-CG2 4.25Å; I399-V427 HydrophobicContact CG2-CG1 3.85Å; A425-V427 HydrophobicContact CB-CG1 4.03Å; V427-H432 HydrophobicContact CB-CB 4.37Å; V427-L437 HydrophobicContact CB-CD2 4.5Å; V427-L437 HydrophobicContact CG1-CD2 4.04Å; V427-L437 HydrophobicContact CG2-CD1 3.95Å; V427-L437 HydrophobicContact CG2-CD2 4.22Å; V427-A459 HydrophobicContact CG2-CB 4.3Å; V427-Y460 PolarHBondContact N-O 3.05Å; V427-N461 CarbonylContact O-C 3.57Å; V427-N461 VanDerWaalsContact O-CA 3.3Å; V427-N461 WeakPolarHBondContact O-CA 3.38Å; V427-V462 PolarHBondContact O-N 2.88Å
428	S	85	Confident	91.4	Very high	22 Å²	22	29.5 Å²	29.5	15%	0.154	19%	0.19	C	C	.	.			trans	-105.4	138.9	168.6	-177.8	0	0	0	0	109.1	A430 S431 H432 D463	S428-A430 PolarHBondContact O-N 2.97Å; S428-A430 PolarHBondContact OG-N 3.04Å; S428-S431 PolarHBondContact O-N 3.18Å; S428-S431 PolarHBondContact O-OG 2.78Å; S428-H432 PolarHBondContact O-N 2.68Å; S428-H432 VanDerWaalsContact O-N 3.13Å; S428-D463 VanDerWaalsContact CB-OD2 3.25Å; S428-D463 WeakPolarHBondContact CB-OD2 3.09Å; S428-D463 PolarHBondContact OG-OD2 3.06Å
429	P	78.4	Confident	91.5	Very high	83 Å²	83	27.4 Å²	27.4	54%	0.539	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.1	170	-25.8	34.9	0	0	0	113.7	S431 N461	P429-S431 VanDerWaalsContact C-N 3.31Å; P429-N461 VanDerWaalsContact CD-OD1 3.29Å; P429-N461 WeakPolarHBondContact CD-OD1 3.26Å
430	A	77.1	Confident	91.4	Very high	51 Å²	51	27.5 Å²	27.5	42%	0.421	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.7	173.7	0	0	0	0	0	114.3	P346 S428	P346-A430 WeakPolarHBondContact CD-O 3.46Å; P346-A430 WeakPolarHBondContact CG-O 3.45Å; S428-A430 PolarHBondContact O-N 2.97Å; S428-A430 PolarHBondContact OG-N 3.04Å
431	S	77	Confident	91.4	Very high	50 Å²	50	27.7 Å²	27.7	35%	0.35	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-18.6	-178.6	64.5	0	0	0	0	115.5	S428 P429	S428-S431 PolarHBondContact O-N 3.18Å; S428-S431 PolarHBondContact O-OG 2.78Å; P429-S431 VanDerWaalsContact C-N 3.31Å
432	H	85.5	Confident	91.4	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.111	19%	0.19	C	C	.	.			trans	-132.6	122.9	177.1	-61.7	75.1	0	0	0	109.9	V427 S428 L437	V427-H432 HydrophobicContact CB-CB 4.37Å; S428-H432 PolarHBondContact O-N 2.68Å; S428-H432 VanDerWaalsContact O-N 3.13Å; H432-L437 HydrophobicContact CB-CD1 4.44Å; H432-L437 HydrophobicContact CB-CD2 3.83Å; H432-L437 HydrophobicContact CB-CG 4.15Å
433	H	89.4	Confident	91.3	Very high	42 Å²	42	34.2 Å²	34.2	19%	0.194	20%	0.195	C	C	.	.			trans	-78.6	144.6	174.6	177	-93.8	0	0	0	109.9	S349 V354 L435 E436 L437	S349-H433 PolarHBondContact O-CD2 2.92Å; S349-H433 VanDerWaalsContact O-CG 3.31Å; V354-H433 HydrophobicContact CG2-CB 3.75Å; H433-L435 VanDerWaalsContact C-N 3.29Å; H433-L435 VanDerWaalsContact ND1-CB 3.33Å; H433-L435 WeakPolarHBondContact ND1-CB 3.06Å; H433-L435 PolarHBondContact ND1-N 3.48Å; H433-L435 VanDerWaalsContact ND1-N 3.19Å; H433-L435 PolarHBondContact O-N 2.98Å; H433-L435 VanDerWaalsContact O-N 3.15Å; H433-E436 WeakPolarHBondContact O-CA 3.36Å; H433-E436 VanDerWaalsContact O-CB 3.26Å; H433-E436 WeakPolarHBondContact O-CB 3.49Å; H433-E436 PolarHBondContact O-N 2.91Å; H433-L437 PolarHBondContact O-N 3.19Å
434	P	91.2	Very high	91.3	Very high	72 Å²	72	34.3 Å²	34.3	47%	0.468	20%	0.196	S	C	.	.	H	α-helix	trans	-51.7	-41.6	-177.1	-30.9	37	0	0	0	114.5	E436 L437 N438	P434-E436 PolarHBondContact O-N 2.95Å; P434-L437 WeakPolarHBondContact O-CB 3.49Å; P434-L437 PolarHBondContact O-N 3.48Å; P434-L437 VanDerWaalsContact O-N 3.07Å; P434-N438 PolarHBondContact O-N 2.83Å; P434-N438 PolarHBondContact O-OD1 2.87Å
435	L	93.1	Very high	91.3	Very high	45 Å²	45	35.9 Å²	35.9	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-33.7	175.6	-176.9	62.5	0	0	0	113.4	P351 H433 L439	P351-L435 HydrophobicContact CB-CD2 3.86Å; H433-L435 VanDerWaalsContact C-N 3.29Å; H433-L435 VanDerWaalsContact ND1-CB 3.33Å; H433-L435 WeakPolarHBondContact ND1-CB 3.06Å; H433-L435 PolarHBondContact ND1-N 3.48Å; H433-L435 VanDerWaalsContact ND1-N 3.19Å; H433-L435 PolarHBondContact O-N 2.98Å; H433-L435 VanDerWaalsContact O-N 3.15Å; L435-L439 HydrophobicContact CD1-CD1 4.35Å; L435-L439 HydrophobicContact CD1-CG 4.35Å; L435-L439 HydrophobicContact CG-CD1 4.07Å; L435-L439 WeakPolarHBondContact O-CB 3.42Å; L435-L439 VanDerWaalsContact O-CG 3.23Å; L435-L439 WeakPolarHBondContact O-CG 3.09Å; L435-L439 PolarHBondContact O-N 3.16Å
436	E	92.8	Very high	91.4	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-43.4	176.9	-172.1	173	-160.9	0	0	110.7	V354 K357 M401 H433 P434 L439 I440	V354-E436 HydrophobicContact CG1-CB 3.93Å; V354-E436 HydrophobicContact CG1-CG 4.41Å; V354-E436 HydrophobicContact CG2-CB 4.32Å; K357-E436 WeakPolarHBondContact CD-OE1 3.38Å; K357-E436 WeakPolarHBondContact CE-OE1 3.21Å; K357-E436 IonicContact NZ-OE1 2.67Å; K357-E436 PolarHBondContact NZ-OE1 3.04Å; K357-E436 IonicContact NZ-OE2 3.48Å; K357-E436 PolarHBondContact NZ-OE2 3.26Å; M401-E436 WeakPolarHBondContact CE-OE1 3.5Å; H433-E436 WeakPolarHBondContact O-CA 3.36Å; H433-E436 VanDerWaalsContact O-CB 3.26Å; H433-E436 WeakPolarHBondContact O-CB 3.49Å; H433-E436 PolarHBondContact O-N 2.91Å; P434-E436 PolarHBondContact O-N 2.95Å; E436-L439 PolarHBondContact O-N 3.43Å; E436-I440 HydrophobicContact CG-CD1 4.1Å; E436-I440 WeakPolarHBondContact O-CD1 3.27Å; E436-I440 VanDerWaalsContact O-CG1 3.24Å; E436-I440 WeakPolarHBondContact O-CG1 3.35Å; E436-I440 PolarHBondContact O-N 3.27Å
437	L	93.9	Very high	91.6	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.8	-56.8	176.8	0	0	0	111.8	L119 V427 H432 H433 P434 I440 H441 A459	L119-L437 HydrophobicContact CD1-CD1 4.2Å; V427-L437 HydrophobicContact CB-CD2 4.5Å; V427-L437 HydrophobicContact CG1-CD2 4.04Å; V427-L437 HydrophobicContact CG2-CD1 3.95Å; V427-L437 HydrophobicContact CG2-CD2 4.22Å; H432-L437 HydrophobicContact CB-CD1 4.44Å; H432-L437 HydrophobicContact CB-CD2 3.83Å; H432-L437 HydrophobicContact CB-CG 4.15Å; H433-L437 PolarHBondContact O-N 3.19Å; P434-L437 WeakPolarHBondContact O-CB 3.49Å; P434-L437 PolarHBondContact O-N 3.48Å; P434-L437 VanDerWaalsContact O-N 3.07Å; L437-I440 PolarHBondContact O-N 3.08Å; L437-H441 WeakPolarHBondContact O-CB 3.46Å; L437-H441 PolarHBondContact O-N 3.47Å; L437-A459 HydrophobicContact CD1-CB 4.39Å
438	N	95.2	Very high	91.9	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-50.3	173.8	-69.2	23	0	0	0	111.1	M121 P434 I440 H441 E442	M121-N438 WeakPolarHBondContact CB-OD1 3.35Å; M121-N438 WeakPolarHBondContact CG-OD1 3.4Å; M121-N438 PolarHBondContact O-ND2 3.26Å; P434-N438 PolarHBondContact O-N 2.83Å; P434-N438 PolarHBondContact O-OD1 2.87Å; N438-I440 PolarHBondContact O-N 3.21Å; N438-H441 PolarHBondContact O-N 3.41Å; N438-E442 WeakPolarHBondContact O-CB 3.43Å; N438-E442 WeakPolarHBondContact O-CG 3.37Å; N438-E442 PolarHBondContact O-N 3.08Å
439	L	95.7	Very high	92.5	Very high	50 Å²	50	45 Å²	45	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-38.8	-179.3	-71.6	168.6	0	0	0	111.9	V354 L358 L435 E436 N443	V354-L439 HydrophobicContact CG1-CD1 4.33Å; L358-L439 HydrophobicContact CD1-CD1 3.78Å; L435-L439 HydrophobicContact CD1-CD1 4.35Å; L435-L439 HydrophobicContact CD1-CG 4.35Å; L435-L439 HydrophobicContact CG-CD1 4.07Å; L435-L439 WeakPolarHBondContact O-CB 3.42Å; L435-L439 VanDerWaalsContact O-CG 3.23Å; L435-L439 WeakPolarHBondContact O-CG 3.09Å; L435-L439 PolarHBondContact O-N 3.16Å; E436-L439 PolarHBondContact O-N 3.43Å; L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 PolarHBondContact O-N 2.85Å; L439-N443 PolarHBondContact O-ND2 3.41Å
440	I	95.7	Very high	93.4	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-46.8	172.7	-67.9	161.8	0	0	0	110.4	I399 G400 E436 L437 N438 L444 F457	I399-I440 HydrophobicContact CG1-CG2 4.28Å; G400-I440 WeakPolarHBondContact O-CD1 3.29Å; E436-I440 HydrophobicContact CG-CD1 4.1Å; E436-I440 WeakPolarHBondContact O-CD1 3.27Å; E436-I440 VanDerWaalsContact O-CG1 3.24Å; E436-I440 WeakPolarHBondContact O-CG1 3.35Å; E436-I440 PolarHBondContact O-N 3.27Å; L437-I440 PolarHBondContact O-N 3.08Å; N438-I440 PolarHBondContact O-N 3.21Å; I440-L444 HydrophobicContact CG2-CD1 3.73Å; I440-L444 HydrophobicContact CG2-CG 4.35Å; I440-L444 WeakPolarHBondContact O-CB 3.45Å; I440-L444 VanDerWaalsContact O-CG 3.26Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 3.43Å; I440-F457 HydrophobicContact CG2-CE2 4Å; I440-F457 HydrophobicContact CG2-CZ 3.89Å
441	H	97.5	Very high	94.3	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-47.5	179.5	-179.3	-153.9	0	0	0	112.1	M121 L437 N438 L444 S445 F457	M121-H441 HydrophobicContact SD-CB 4.43Å; L437-H441 WeakPolarHBondContact O-CB 3.46Å; L437-H441 PolarHBondContact O-N 3.47Å; N438-H441 PolarHBondContact O-N 3.41Å; H441-L444 PolarHBondContact O-N 2.69Å; H441-S445 PolarHBondContact CD2-OG 2.86Å; H441-S445 PolarHBondContact NE2-OG 2.97Å; H441-S445 WeakPolarHBondContact O-CB 3.39Å; H441-S445 PolarHBondContact O-N 2.95Å; H441-S445 PolarHBondContact O-OG 3.23Å; H441-F457 HydrophobicContact CB-CD1 3.67Å; H441-F457 HydrophobicContact CB-CE1 3.78Å; H441-F457 AromaticContact CD2-CD1 3.6Å; H441-F457 AromaticContact CG-CD1 3.68Å
442	E	97.2	Very high	95.2	Very high	124 Å²	124	47.6 Å²	47.6	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-61.5	-45	178	-74	179.6	-177	0	0	111.8	N438 G446	N438-E442 WeakPolarHBondContact O-CB 3.43Å; N438-E442 WeakPolarHBondContact O-CG 3.37Å; N438-E442 PolarHBondContact O-N 3.08Å; E442-G446 PolarHBondContact O-N 3.21Å
443	N	96.1	Very high	95.8	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-47	178	-77	-33.2	0	0	0	112.1	F223 L439 G446 F447	F223-N443 HydrophobicContact CE2-CB 3.92Å; F223-N443 HydrophobicContact CZ-CB 4.14Å; L439-N443 WeakPolarHBondContact O-CB 3.39Å; L439-N443 PolarHBondContact O-N 2.85Å; L439-N443 PolarHBondContact O-ND2 3.41Å; N443-G446 PolarHBondContact O-N 3.1Å; N443-F447 WeakPolarHBondContact O-CB 3.22Å; N443-F447 PolarHBondContact O-N 3.27Å
444	L	97.7	Very high	96.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-45.2	-179.9	-68.1	176.3	0	0	0	112	F223 W405 A406 M409 I440 H441 G446 F447 A448 L455 F457	F223-L444 HydrophobicContact CZ-CD2 4.41Å; W405-L444 HydrophobicContact CB-CD2 4.47Å; A406-L444 HydrophobicContact CB-CD2 4.21Å; M409-L444 HydrophobicContact CE-CB 4.26Å; M409-L444 HydrophobicContact CE-CD2 3.74Å; I440-L444 HydrophobicContact CG2-CD1 3.73Å; I440-L444 HydrophobicContact CG2-CG 4.35Å; I440-L444 WeakPolarHBondContact O-CB 3.45Å; I440-L444 VanDerWaalsContact O-CG 3.26Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 3.43Å; H441-L444 PolarHBondContact O-N 2.69Å; L444-G446 VanDerWaalsContact C-N 3.26Å; L444-G446 PolarHBondContact O-N 2.6Å; L444-F447 PolarHBondContact O-N 2.82Å; L444-A448 VanDerWaalsContact O-CB 3.25Å; L444-A448 WeakPolarHBondContact O-CB 3.49Å; L444-A448 PolarHBondContact O-N 2.87Å; L444-L455 HydrophobicContact CB-CD2 3.76Å; L444-F457 HydrophobicContact CD1-CD2 3.78Å; L444-F457 HydrophobicContact CD1-CE2 3.91Å
445	S	98	Very high	96.5	Very high	34 Å²	34	50.6 Å²	50.6	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-22.8	176.5	-69.3	0	0	0	0	113	H441 R449	H441-S445 PolarHBondContact CD2-OG 2.86Å; H441-S445 PolarHBondContact NE2-OG 2.97Å; H441-S445 WeakPolarHBondContact O-CB 3.39Å; H441-S445 PolarHBondContact O-N 2.95Å; H441-S445 PolarHBondContact O-OG 3.23Å; S445-R449 PolarHBondContact O-NH2 3.33Å; S445-R449 VanDerWaalsContact O-NH2 3.08Å
446	G	97.8	Very high	96.7	Very high	13 Å²	13	53.8 Å²	53.8	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-59.9	166.7	0	0	0	0	0	111.7	E442 N443 L444 A448 R449 E450	E442-G446 PolarHBondContact O-N 3.21Å; N443-G446 PolarHBondContact O-N 3.1Å; L444-G446 VanDerWaalsContact C-N 3.26Å; L444-G446 PolarHBondContact O-N 2.6Å; G446-A448 PolarHBondContact O-N 3.46Å; G446-R449 VanDerWaalsContact O-CB 3.31Å; G446-R449 WeakPolarHBondContact O-CB 3.11Å; G446-R449 PolarHBondContact O-N 3.46Å; G446-R449 VanDerWaalsContact O-N 3.07Å; G446-E450 PolarHBondContact O-N 2.78Å
447	F	97.5	Very high	96.9	Very high	33 Å²	33	54.5 Å²	54.5	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-37.7	-175.8	-166.6	-117.8	0	0	0	113.1	F223 A406 M409 N443 L444 R449 E450 L451	F223-F447 HydrophobicContact CD2-CB 4.25Å; F223-F447 HydrophobicContact CD2-CD2 4.24Å; F223-F447 HydrophobicContact CD2-CG 4.14Å; F223-F447 HydrophobicContact CE2-CB 4.24Å; F223-F447 HydrophobicContact CE2-CG 4.48Å; A406-F447 HydrophobicContact CB-CD1 3.77Å; A406-F447 HydrophobicContact CB-CE1 3.89Å; A406-F447 WeakPolarHBondContact O-CE1 3.4Å; M409-F447 HydrophobicContact CE-CD1 4.41Å; N443-F447 WeakPolarHBondContact O-CB 3.22Å; N443-F447 PolarHBondContact O-N 3.27Å; L444-F447 PolarHBondContact O-N 2.82Å; F447-R449 VanDerWaalsContact C-N 3.27Å; F447-R449 PolarHBondContact O-N 2.92Å; F447-E450 PolarHBondContact O-N 3.25Å; F447-L451 HydrophobicContact CD1-CD1 3.77Å; F447-L451 HydrophobicContact CD1-CG 4.48Å; F447-L451 HydrophobicContact CE1-CD1 3.43Å; F447-L451 VanDerWaalsContact CE1-CD1 3.43Å; F447-L451 HydrophobicContact CE1-CG 4.26Å; F447-L451 HydrophobicContact CG-CD1 4.47Å; F447-L451 HydrophobicContact CZ-CD1 3.88Å; F447-L451 HydrophobicContact CZ-CG 4.32Å; F447-L451 WeakPolarHBondContact O-CG 3.2Å; F447-L451 PolarHBondContact O-N 3.1Å
448	A	97.5	Very high	97	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-42.7	172.6	0	0	0	0	0	112.4	M409 L444 G446 L451 G452 V453 L455	M409-A448 HydrophobicContact CE-CB 4.46Å; M409-A448 HydrophobicContact SD-CB 3.61Å; L444-A448 VanDerWaalsContact O-CB 3.25Å; L444-A448 WeakPolarHBondContact O-CB 3.49Å; L444-A448 PolarHBondContact O-N 2.87Å; G446-A448 PolarHBondContact O-N 3.46Å; A448-L451 PolarHBondContact O-N 3.45Å; A448-G452 PolarHBondContact O-N 3.33Å; A448-V453 PolarHBondContact O-N 2.89Å; A448-L455 HydrophobicContact CB-CB 3.51Å; A448-L455 HydrophobicContact CB-CD2 3.94Å; A448-L455 HydrophobicContact CB-CG 4.37Å
449	R	97.7	Very high	96.9	Very high	179 Å²	179	54.2 Å²	54.2	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-69.6	-35.9	-179.6	-163.1	-167.8	-47.2	105.9	7	112.4	S445 G446 F447 G452	S445-R449 PolarHBondContact O-NH2 3.33Å; S445-R449 VanDerWaalsContact O-NH2 3.08Å; G446-R449 VanDerWaalsContact O-CB 3.31Å; G446-R449 WeakPolarHBondContact O-CB 3.11Å; G446-R449 PolarHBondContact O-N 3.46Å; G446-R449 VanDerWaalsContact O-N 3.07Å; F447-R449 VanDerWaalsContact C-N 3.27Å; F447-R449 PolarHBondContact O-N 2.92Å; R449-G452 PolarHBondContact O-N 2.86Å
450	E	97.4	Very high	96.8	Very high	129 Å²	129	53.3 Å²	53.3	60%	0.603	27%	0.268	S	S	*	.	H	α-helix	trans	-69.3	-36.4	175.9	-68.5	173.2	-174.3	0	0	111.8	G446 F447	G446-E450 PolarHBondContact O-N 2.78Å; F447-E450 PolarHBondContact O-N 3.25Å
451	L	96.8	Very high	96.6	Very high	57 Å²	57	54.9 Å²	54.9	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-82.1	-11.5	175	-67.7	178.4	0	0	0	114.5	M409 Q410 A413 F447 A448 V453	M409-L451 HydrophobicContact CB-CD1 3.86Å; Q410-L451 HydrophobicContact CB-CD1 4.23Å; A413-L451 HydrophobicContact CB-CB 4.17Å; A413-L451 HydrophobicContact CB-CD2 4.44Å; F447-L451 HydrophobicContact CD1-CD1 3.77Å; F447-L451 HydrophobicContact CD1-CG 4.48Å; F447-L451 HydrophobicContact CE1-CD1 3.43Å; F447-L451 VanDerWaalsContact CE1-CD1 3.43Å; F447-L451 HydrophobicContact CE1-CG 4.26Å; F447-L451 HydrophobicContact CG-CD1 4.47Å; F447-L451 HydrophobicContact CZ-CD1 3.88Å; F447-L451 HydrophobicContact CZ-CG 4.32Å; F447-L451 WeakPolarHBondContact O-CG 3.2Å; F447-L451 PolarHBondContact O-N 3.1Å; A448-L451 PolarHBondContact O-N 3.45Å; L451-V453 VanDerWaalsContact C-N 3.29Å; L451-V453 HydrophobicContact CB-CG2 3.93Å; L451-V453 PolarHBondContact O-N 2.76Å
452	G	96.2	Very high	96	Very high	53 Å²	53	53.8 Å²	53.8	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	17.3	-173.3	0	0	0	0	0	114.7	A448 R449	A448-G452 PolarHBondContact O-N 3.33Å; R449-G452 PolarHBondContact O-N 2.86Å
453	V	96.8	Very high	95.3	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	26%	0.262	C	S	.	.			trans	-85.7	133.1	-179.6	177.4	0	0	0	0	110.4	M409 A413 L421 A448 L451 L455	M409-V453 HydrophobicContact CB-CG2 4.44Å; M409-V453 HydrophobicContact CG-CG1 4.1Å; M409-V453 HydrophobicContact SD-CG1 4.41Å; A413-V453 HydrophobicContact CB-CG2 3.82Å; L421-V453 HydrophobicContact CB-CG1 4.49Å; A448-V453 PolarHBondContact O-N 2.89Å; L451-V453 VanDerWaalsContact C-N 3.29Å; L451-V453 HydrophobicContact CB-CG2 3.93Å; L451-V453 PolarHBondContact O-N 2.76Å; V453-L455 PolarHBondContact O-N 2.94Å; V453-L455 VanDerWaalsContact O-N 3.09Å
454	F	97.5	Very high	94.8	Very high	151 Å²	151	52.1 Å²	52.1	66%	0.662	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	96.9	171.7	-71.1	-81	0	0	0	110.4	T420 L421	T420-F454 HydrophobicContact CG2-CB 3.96Å; L421-F454 PolarHBondContact N-O 3.46Å
455	L	98	Very high	94.1	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.183	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.1	173.7	179.2	68	0	0	0	111.7	M409 L421 V423 L444 A448 V453 F457	M409-L455 HydrophobicContact CE-CD2 4.13Å; M409-L455 HydrophobicContact SD-CB 4.11Å; M409-L455 HydrophobicContact SD-CD1 4.06Å; M409-L455 HydrophobicContact SD-CD2 3.99Å; M409-L455 HydrophobicContact SD-CG 4.27Å; L421-L455 HydrophobicContact CB-CD1 4.44Å; L421-L455 HydrophobicContact CD2-CD1 4.14Å; L421-L455 HydrophobicContact CG-CD1 4.16Å; L421-L455 CarbonylContact O-C 3.54Å; L421-L455 VanDerWaalsContact O-CA 3.28Å; L421-L455 WeakPolarHBondContact O-CA 3.45Å; V423-L455 HydrophobicContact CG2-CD1 3.94Å; L444-L455 HydrophobicContact CB-CD2 3.76Å; A448-L455 HydrophobicContact CB-CB 3.51Å; A448-L455 HydrophobicContact CB-CD2 3.94Å; A448-L455 HydrophobicContact CB-CG 4.37Å; V453-L455 PolarHBondContact O-N 2.94Å; V453-L455 VanDerWaalsContact O-N 3.09Å; L455-F457 HydrophobicContact CD2-CB 4.39Å
456	Q	97.4	Very high	93.6	Very high	111 Å²	111	54.9 Å²	54.9	52%	0.519	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.7	154.8	-176.9	-177.9	33.3	0	0	109.2	L421 K422 V423	L421-Q456 PolarHBondContact O-N 3.36Å; K422-Q456 CarbonylContact C-O 3.54Å; K422-Q456 WeakPolarHBondContact CA-O 3.31Å; K422-Q456 HydrophobicContact CG-CB 4.24Å; V423-Q456 PolarHBondContact N-O 3.36Å
457	F	97.5	Very high	93.1	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.2	172.2	-179.6	-92.9	0	0	0	110.7	I399 V423 A425 I440 H441 L444 L455 A459	I399-F457 HydrophobicContact CD1-CE2 4.27Å; I399-F457 HydrophobicContact CG1-CE2 4.5Å; V423-F457 HydrophobicContact CB-CD2 4.02Å; V423-F457 HydrophobicContact CG1-CD2 3.92Å; V423-F457 HydrophobicContact CG1-CE2 4.1Å; V423-F457 WeakPolarHBondContact O-CA 3.4Å; A425-F457 HydrophobicContact CB-CE2 4.49Å; A425-F457 HydrophobicContact CB-CZ 4.33Å; I440-F457 HydrophobicContact CG2-CE2 4Å; I440-F457 HydrophobicContact CG2-CZ 3.89Å; H441-F457 HydrophobicContact CB-CD1 3.67Å; H441-F457 HydrophobicContact CB-CE1 3.78Å; H441-F457 AromaticContact CD2-CD1 3.6Å; H441-F457 AromaticContact CG-CD1 3.68Å; L444-F457 HydrophobicContact CD1-CD2 3.78Å; L444-F457 HydrophobicContact CD1-CE2 3.91Å; L455-F457 HydrophobicContact CD2-CB 4.39Å; F457-A459 HydrophobicContact CE1-CB 4.35Å
458	A	95.3	Very high	92.7	Very high	12 Å²	12	55.9 Å²	55.9	10%	0.099	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.8	169.8	0	0	0	0	0	111.1	V423 T424 A425 Y460	V423-A458 PolarHBondContact O-N 3.48Å; T424-A458 CarbonylContact C-O 3.58Å; T424-A458 WeakPolarHBondContact CA-O 3.49Å; A425-A458 PolarHBondContact N-O 3.33Å; A458-Y460 HydrophobicContact CB-CD2 4.33Å; A458-Y460 HydrophobicContact CB-CE2 3.62Å
459	A	94.7	Very high	92.2	Very high	6 Å²	6	57.8 Å²	57.8	5%	0.05	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.9	173	0	0	0	0	0	110.1	A425 V427 L437 F457	A425-A459 HydrophobicContact CB-CB 4.3Å; A425-A459 WeakPolarHBondContact O-CA 3.23Å; V427-A459 HydrophobicContact CG2-CB 4.3Å; L437-A459 HydrophobicContact CD1-CB 4.39Å; F457-A459 HydrophobicContact CE1-CB 4.35Å
460	Y	93.3	Very high	91.8	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.122	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.5	180	-66.1	-99.9	0	0	0	110.3	T424 A425 V427 A458 V462 L465 E469 I473	T424-Y460 HydrophobicContact CG2-CD2 3.65Å; T424-Y460 HydrophobicContact CG2-CE2 3.84Å; A425-Y460 PolarHBondContact O-N 3.1Å; V427-Y460 PolarHBondContact N-O 3.05Å; A458-Y460 HydrophobicContact CB-CD2 4.33Å; A458-Y460 HydrophobicContact CB-CE2 3.62Å; Y460-V462 PolarHBondContact O-N 2.78Å; Y460-L465 HydrophobicContact CD1-CD1 3.87Å; Y460-L465 HydrophobicContact CE1-CD1 4.5Å; Y460-L465 HydrophobicContact CG-CD1 4.35Å; Y460-L465 HydrophobicContact CG-CD2 4.47Å; Y460-E469 WeakPolarHBondContact CE1-OE1 3.29Å; Y460-I473 HydrophobicContact CD2-CD1 4.48Å; Y460-I473 HydrophobicContact CE2-CD1 3.82Å
461	N	90.1	Very high	91.5	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	109.2	173.3	-178.3	4.8	0	0	0	110.3	L119 V427 P429 D463 A464 L465	L119-N461 HydrophobicContact CD2-CB 4.41Å; V427-N461 CarbonylContact O-C 3.57Å; V427-N461 VanDerWaalsContact O-CA 3.3Å; V427-N461 WeakPolarHBondContact O-CA 3.38Å; P429-N461 VanDerWaalsContact CD-OD1 3.29Å; P429-N461 WeakPolarHBondContact CD-OD1 3.26Å; N461-D463 PolarHBondContact O-N 3.45Å; N461-D463 WeakPolarHBondContact OD1-CB 3.48Å; N461-D463 PolarHBondContact OD1-N 3.25Å; N461-A464 HydrophobicContact CB-CB 4.25Å; N461-A464 PolarHBondContact O-N 3.47Å; N461-A464 VanDerWaalsContact O-N 3.08Å; N461-L465 WeakPolarHBondContact O-CB 3.33Å; N461-L465 PolarHBondContact O-N 3.07Å
462	V	86.2	Confident	91.3	Very high	31 Å²	31	45.6 Å²	45.6	19%	0.188	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.5	179	72.5	0	0	0	0	112.8	F146 L426 V427 Y460 A464	F146-V462 WeakPolarHBondContact CB-O 3.5Å; F146-V462 HydrophobicContact CD1-CG2 4.43Å; F146-V462 WeakPolarHBondContact CD1-O 3.47Å; F146-V462 WeakPolarHBondContact CD2-O 3.43Å; F146-V462 HydrophobicContact CE1-CG2 4.29Å; F146-V462 WeakPolarHBondContact CG-O 3.23Å; L426-V462 HydrophobicContact CB-CB 4.15Å; L426-V462 HydrophobicContact CB-CG2 4.1Å; V427-V462 PolarHBondContact O-N 2.88Å; Y460-V462 PolarHBondContact O-N 2.78Å; V462-A464 VanDerWaalsContact C-N 3.31Å; V462-A464 PolarHBondContact O-N 2.86Å
463	D	81.7	Confident	91	Very high	63 Å²	63	44.2 Å²	44.2	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.4	-179.4	-63.5	-60.3	0	0	0	113.4	F146 S428 N461	F146-D463 PolarHBondContact N-O 3.2Å; S428-D463 VanDerWaalsContact CB-OD2 3.25Å; S428-D463 WeakPolarHBondContact CB-OD2 3.09Å; S428-D463 PolarHBondContact OG-OD2 3.06Å; N461-D463 PolarHBondContact O-N 3.45Å; N461-D463 WeakPolarHBondContact OD1-CB 3.48Å; N461-D463 PolarHBondContact OD1-N 3.25Å
464	A	85.4	Confident	90.6	Very high	77 Å²	77	43.7 Å²	43.7	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-13	-174.2	0	0	0	0	0	115.4	N461 V462	N461-A464 HydrophobicContact CB-CB 4.25Å; N461-A464 PolarHBondContact O-N 3.47Å; N461-A464 VanDerWaalsContact O-N 3.08Å; V462-A464 VanDerWaalsContact C-N 3.31Å; V462-A464 PolarHBondContact O-N 2.86Å
465	L	83.7	Confident	90.2	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.068	25%	0.249	C	C	.	.			trans	-69.4	133	-177.2	179.8	63.2	0	0	0	112.6	F146 L426 Y460 N461 P467 E469 L470	F146-L465 WeakPolarHBondContact CD2-O 3.35Å; F146-L465 WeakPolarHBondContact CE2-O 3.07Å; L426-L465 HydrophobicContact CD2-CD2 3.49Å; L426-L465 VanDerWaalsContact CD2-CD2 3.49Å; Y460-L465 HydrophobicContact CD1-CD1 3.87Å; Y460-L465 HydrophobicContact CE1-CD1 4.5Å; Y460-L465 HydrophobicContact CG-CD1 4.35Å; Y460-L465 HydrophobicContact CG-CD2 4.47Å; N461-L465 WeakPolarHBondContact O-CB 3.33Å; N461-L465 PolarHBondContact O-N 3.07Å; L465-P467 WeakPolarHBondContact O-CD 3.24Å; L465-E469 HydrophobicContact CD1-CB 4.16Å; L465-E469 VanDerWaalsContact CD1-CD 3.47Å; L465-E469 HydrophobicContact CD1-CG 4.08Å; L465-E469 WeakPolarHBondContact CD1-OE2 3.18Å; L465-L470 HydrophobicContact CD2-CB 4.05Å; L465-L470 HydrophobicContact CD2-CD1 4.09Å; L465-L470 HydrophobicContact CD2-CD2 4.39Å; L465-L470 HydrophobicContact CD2-CG 4.38Å; L465-L470 HydrophobicContact CG-CB 4.48Å
466	D	87.2	Confident	89.9	Confident	81 Å²	81	42.2 Å²	42.2	43%	0.433	27%	0.272	S	S	.	.			trans	-71.8	125.9	172.1	-174.8	-14.6	0	0	0	110.4	A468 E469 L470	D466-A468 PolarHBondContact O-N 2.82Å; D466-A468 VanDerWaalsContact O-N 3.12Å; D466-A468 WeakPolarHBondContact OD1-CB 3.21Å; D466-A468 PolarHBondContact OD1-N 2.88Å; D466-E469 HydrophobicContact CB-CB 3.98Å; D466-E469 WeakPolarHBondContact O-CB 3.42Å; D466-E469 PolarHBondContact O-N 3.39Å; D466-E469 VanDerWaalsContact O-N 3.08Å; D466-L470 PolarHBondContact O-N 3.42Å
467	P	86.6	Confident	89.8	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-50.4	-29.4	169.4	-29.2	36.7	0	0	0	115.5	F146 L465 V471 L499	F146-P467 HydrophobicContact CE2-CG 3.97Å; L465-P467 WeakPolarHBondContact O-CD 3.24Å; P467-V471 WeakPolarHBondContact O-CG2 3.2Å; P467-V471 PolarHBondContact O-N 3.49Å; P467-L499 HydrophobicContact CB-CD1 4.04Å
468	A	89.3	Confident	89.8	Confident	59 Å²	59	38.5 Å²	38.5	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-75.4	-39.1	176.2	0	0	0	0	0	112.5	D466 L470 V471 A472	D466-A468 PolarHBondContact O-N 2.82Å; D466-A468 VanDerWaalsContact O-N 3.12Å; D466-A468 WeakPolarHBondContact OD1-CB 3.21Å; D466-A468 PolarHBondContact OD1-N 2.88Å; A468-L470 VanDerWaalsContact C-N 3.31Å; A468-L470 PolarHBondContact O-N 3.45Å; A468-V471 PolarHBondContact O-N 3.27Å; A468-A472 PolarHBondContact O-N 2.86Å
469	E	88.4	Confident	89.9	Confident	44 Å²	44	38 Å²	38	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-44.1	171.1	-173.4	-171.3	157.4	0	0	110.3	L116 Y460 L465 D466 V471 A472 I473	L116-E469 HydrophobicContact CD1-CG 3.63Å; L116-E469 HydrophobicContact CD2-CG 4.24Å; Y460-E469 WeakPolarHBondContact CE1-OE1 3.29Å; L465-E469 HydrophobicContact CD1-CB 4.16Å; L465-E469 VanDerWaalsContact CD1-CD 3.47Å; L465-E469 HydrophobicContact CD1-CG 4.08Å; L465-E469 WeakPolarHBondContact CD1-OE2 3.18Å; D466-E469 HydrophobicContact CB-CB 3.98Å; D466-E469 WeakPolarHBondContact O-CB 3.42Å; D466-E469 PolarHBondContact O-N 3.39Å; D466-E469 VanDerWaalsContact O-N 3.08Å; E469-V471 PolarHBondContact O-N 3.3Å; E469-A472 WeakPolarHBondContact O-CB 3.46Å; E469-A472 PolarHBondContact O-N 2.84Å; E469-A472 VanDerWaalsContact O-N 3.11Å; E469-I473 PolarHBondContact O-N 2.89Å
470	L	88.9	Confident	90.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-41.9	177.3	-173.4	59.7	0	0	0	112.3	L395 L426 L465 D466 A468 I473 T474 L499 L503	L395-L470 HydrophobicContact CD1-CD1 3.73Å; L395-L470 HydrophobicContact CD2-CD1 4.33Å; L395-L470 HydrophobicContact CD2-CD2 3.97Å; L426-L470 HydrophobicContact CD1-CD2 4.1Å; L426-L470 HydrophobicContact CD2-CD1 4.49Å; L465-L470 HydrophobicContact CD2-CB 4.05Å; L465-L470 HydrophobicContact CD2-CD1 4.09Å; L465-L470 HydrophobicContact CD2-CD2 4.39Å; L465-L470 HydrophobicContact CD2-CG 4.38Å; L465-L470 HydrophobicContact CG-CB 4.48Å; D466-L470 PolarHBondContact O-N 3.42Å; A468-L470 VanDerWaalsContact C-N 3.31Å; A468-L470 PolarHBondContact O-N 3.45Å; L470-I473 HydrophobicContact CD1-CD1 3.96Å; L470-I473 HydrophobicContact CD1-CG1 4.1Å; L470-I473 WeakPolarHBondContact O-CG1 3.24Å; L470-T474 WeakPolarHBondContact O-CG2 3.12Å; L470-T474 PolarHBondContact O-N 2.94Å; L470-T474 PolarHBondContact O-OG1 3.36Å; L470-L499 HydrophobicContact CD2-CD1 4.21Å; L470-L499 HydrophobicContact CD2-CD2 3.8Å; L470-L499 HydrophobicContact CD2-CG 4.09Å; L470-L503 HydrophobicContact CB-CD2 4.37Å; L470-L503 HydrophobicContact CD2-CD1 4.11Å; L470-L503 HydrophobicContact CD2-CD2 4.19Å; L470-L503 HydrophobicContact CG-CD1 4.28Å; L470-L503 HydrophobicContact CG-CD2 3.79Å
471	V	90.8	Very high	90.3	Very high	51 Å²	51	36.3 Å²	36.3	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-47.4	172.4	170.9	0	0	0	0	110.3	P467 A468 E469 I473 T474 S475 R502 L503	P467-V471 WeakPolarHBondContact O-CG2 3.2Å; P467-V471 PolarHBondContact O-N 3.49Å; A468-V471 PolarHBondContact O-N 3.27Å; E469-V471 PolarHBondContact O-N 3.3Å; V471-I473 PolarHBondContact O-N 2.89Å; V471-T474 PolarHBondContact O-N 3.47Å; V471-T474 PolarHBondContact O-OG1 3.14Å; V471-S475 PolarHBondContact O-N 3.49Å; V471-R502 HydrophobicContact CG2-CB 4.1Å; V471-L503 HydrophobicContact CB-CD2 4.33Å; V471-L503 HydrophobicContact CG2-CD2 3.75Å
472	A	92.1	Very high	90.7	Very high	57 Å²	57	34.6 Å²	34.6	47%	0.471	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-47	-179.4	0	0	0	0	0	112.6	A468 E469 T474 S475	A468-A472 PolarHBondContact O-N 2.86Å; E469-A472 WeakPolarHBondContact O-CB 3.46Å; E469-A472 PolarHBondContact O-N 2.84Å; E469-A472 VanDerWaalsContact O-N 3.11Å; A472-T474 PolarHBondContact O-N 2.74Å; A472-S475 WeakPolarHBondContact O-CB 3.41Å; A472-S475 PolarHBondContact O-N 3.39Å; A472-S475 VanDerWaalsContact O-N 3.12Å; A472-S475 PolarHBondContact O-OG 3.19Å
473	I	89.3	Confident	91	Very high	24 Å²	24	33.3 Å²	33.3	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-70.5	-16	-179.7	69.2	170.4	0	0	0	113.8	H393 K422 T424 Y460 E469 L470 V471	H393-I473 PolarHBondContact CE1-O 2.71Å; K422-I473 PolarHBondContact NZ-O 3.02Å; T424-I473 HydrophobicContact CG2-CD1 4.02Å; Y460-I473 HydrophobicContact CD2-CD1 4.48Å; Y460-I473 HydrophobicContact CE2-CD1 3.82Å; E469-I473 PolarHBondContact O-N 2.89Å; L470-I473 HydrophobicContact CD1-CD1 3.96Å; L470-I473 HydrophobicContact CD1-CG1 4.1Å; L470-I473 WeakPolarHBondContact O-CG1 3.24Å; V471-I473 PolarHBondContact O-N 2.89Å
474	T	89.4	Confident	91.4	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.025	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.9	172.7	60.7	0	0	0	0	114.3	L470 V471 A472 G476 D477 V479 L503	L470-T474 WeakPolarHBondContact O-CG2 3.12Å; L470-T474 PolarHBondContact O-N 2.94Å; L470-T474 PolarHBondContact O-OG1 3.36Å; V471-T474 PolarHBondContact O-N 3.47Å; V471-T474 PolarHBondContact O-OG1 3.14Å; A472-T474 PolarHBondContact O-N 2.74Å; T474-G476 PolarHBondContact O-N 3.39Å; T474-D477 PolarHBondContact O-N 2.61Å; T474-V479 HydrophobicContact CG2-CG2 4.21Å; T474-L503 HydrophobicContact CG2-CD1 4.37Å; T474-L503 HydrophobicContact CG2-CD2 4.2Å
475	S	89	Confident	91.7	Very high	90 Å²	90	27.7 Å²	27.7	63%	0.629	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	121.5	-168.1	63.9	0	0	0	0	113.5	V471 A472	V471-S475 PolarHBondContact O-N 3.49Å; A472-S475 WeakPolarHBondContact O-CB 3.41Å; A472-S475 PolarHBondContact O-N 3.39Å; A472-S475 VanDerWaalsContact O-N 3.12Å; A472-S475 PolarHBondContact O-OG 3.19Å
476	G	91.3	Very high	91.8	Very high	64 Å²	64	27.1 Å²	27.1	66%	0.66	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	1	174.9	0	0	0	0	0	115.9	R391 T474	R391-G476 PolarHBondContact NH2-O 3.45Å; T474-G476 PolarHBondContact O-N 3.39Å
477	D	95.7	Very high	91.5	Very high	34 Å²	34	23.6 Å²	23.6	18%	0.182	17%	0.17	C	C	.	.	S	Bend	trans	-101.6	161.5	177.8	-69.8	-20.4	0	0	0	112.5	R391 H393 T474 V479	R391-D477 VanDerWaalsContact CB-OD1 3.27Å; R391-D477 WeakPolarHBondContact CB-OD1 3.3Å; R391-D477 WeakPolarHBondContact CD-OD1 3.21Å; R391-D477 IonicContact CZ-OD1 2.68Å; R391-D477 IonicContact NE-OD1 3.43Å; R391-D477 PolarHBondContact NE-OD1 2.98Å; R391-D477 IonicContact NH2-OD1 2.78Å; H393-D477 HydrophobicContact CB-CB 3.67Å; T474-D477 PolarHBondContact O-N 2.61Å; D477-V479 PolarHBondContact O-N 3.11Å
478	A	97.6	Very high	91.3	Very high	18 Å²	18	25.1 Å²	25.1	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	98	169.3	0	0	0	0	0	109.1	L386 A389 R391 H393	L386-A478 HydrophobicContact CD1-CB 4.25Å; L386-A478 WeakPolarHBondContact CD1-O 3.49Å; L386-A478 HydrophobicContact CD2-CB 3.98Å; A389-A478 HydrophobicContact CB-CB 3.45Å; A389-A478 VanDerWaalsContact CB-CB 3.45Å; R391-A478 VanDerWaalsContact O-CB 3.3Å; R391-A478 WeakPolarHBondContact O-CB 3.38Å; R391-A478 PolarHBondContact O-N 3.09Å; H393-A478 PolarHBondContact N-O 2.58Å
479	V	98.1	Very high	91.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.6	-172.3	176.7	0	0	0	0	112	H393 T474 D477 V481 A505 K506	H393-V479 HydrophobicContact CB-CG2 4.34Å; H393-V479 CarbonylContact O-C 3.04Å; H393-V479 VanDerWaalsContact O-CA 3.27Å; H393-V479 WeakPolarHBondContact O-CA 3.26Å; T474-V479 HydrophobicContact CG2-CG2 4.21Å; D477-V479 PolarHBondContact O-N 3.11Å; V479-V481 HydrophobicContact CG1-CG2 4.18Å; V479-A505 HydrophobicContact CG1-CB 4.07Å; V479-K506 PolarHBondContact O-N 3.31Å
480	A	98.3	Very high	90.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.3	162.7	0	0	0	0	0	110	V382 L386 H393 L395 V507	V382-A480 HydrophobicContact CG1-CB 4.16Å; V382-A480 HydrophobicContact CG2-CB 4.08Å; L386-A480 HydrophobicContact CD1-CB 3.72Å; H393-A480 PolarHBondContact O-N 3.05Å; L395-A480 PolarHBondContact N-O 2.94Å; A480-V507 CarbonylContact C-O 3.59Å; A480-V507 WeakPolarHBondContact CA-O 3.35Å; A480-V507 HydrophobicContact CB-CG1 3.68Å
481	V	97.8	Very high	90.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.8	175.3	-172.2	0	0	0	0	110.5	L395 L397 V479 L483 V500 A505 V507 V508 V509	L395-V481 HydrophobicContact CB-CG1 4.48Å; L395-V481 HydrophobicContact CB-CG2 4.29Å; L395-V481 HydrophobicContact CD2-CG1 4.37Å; L395-V481 HydrophobicContact CD2-CG2 4.44Å; L395-V481 CarbonylContact O-C 3.59Å; L395-V481 VanDerWaalsContact O-CA 3.31Å; L395-V481 WeakPolarHBondContact O-CA 3.32Å; L397-V481 HydrophobicContact CD1-CG1 3.94Å; V479-V481 HydrophobicContact CG1-CG2 4.18Å; V481-L483 HydrophobicContact CG1-CB 4.47Å; V481-V500 HydrophobicContact CG1-CG2 4.08Å; V481-V500 HydrophobicContact CG2-CG1 4.09Å; V481-V500 HydrophobicContact CG2-CG2 4.2Å; V481-A505 HydrophobicContact CG2-CB 3.95Å; V481-V507 PolarHBondContact N-O 2.93Å; V481-V508 HydrophobicContact CB-CG2 4.44Å; V481-V508 CarbonylContact O-C 3.54Å; V481-V508 WeakPolarHBondContact O-CA 3.19Å; V481-V509 PolarHBondContact O-N 3.11Å
482	H	96.9	Very high	90.5	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.1	168	-179.4	-122.6	0	0	0	108.9	L395 D396 L397 W405 V509 V511	L395-H482 PolarHBondContact O-N 2.79Å; D396-H482 HydrophobicContact CB-CB 4.44Å; D396-H482 IonicContact OD1-CE1 3.93Å; D396-H482 IonicContact OD1-CG 2.94Å; D396-H482 IonicContact OD1-ND1 3.54Å; D396-H482 PolarHBondContact OD1-ND1 3.4Å; D396-H482 IonicContact OD2-ND1 3.74Å; L397-H482 PolarHBondContact N-O 3.03Å; L397-H482 VanDerWaalsContact N-O 3.11Å; W405-H482 HydrophobicContact CH2-CB 4.08Å; W405-H482 HydrophobicContact CZ2-CB 3.85Å; H482-V509 WeakPolarHBondContact CA-O 3.46Å; H482-V511 WeakPolarHBondContact NE2-CG2 3.41Å
483	L	94.2	Very high	90.5	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	17%	0.174	C	C	.	.			trans	-124.6	106.9	-166.5	177.2	61.1	0	0	0	110.6	L397 V481 M493 V496 L497 V508 V509 S510	L397-L483 HydrophobicContact CD2-CD1 4.04Å; V481-L483 HydrophobicContact CG1-CB 4.47Å; L483-M493 HydrophobicContact CD1-SD 4.36Å; L483-M493 HydrophobicContact CD2-SD 3.87Å; L483-M493 HydrophobicContact CG-SD 4.33Å; L483-V496 HydrophobicContact CD1-CG1 3.74Å; L483-L497 HydrophobicContact CD2-CD2 3.83Å; L483-V508 HydrophobicContact CB-CG1 3.72Å; L483-V508 HydrophobicContact CD2-CG1 3.68Å; L483-V508 HydrophobicContact CG-CG1 4.36Å; L483-V509 PolarHBondContact N-O 2.9Å; L483-S510 VanDerWaalsContact O-CA 3.3Å; L483-S510 WeakPolarHBondContact O-CA 3.16Å; L483-S510 WeakPolarHBondContact O-CB 3.49Å; L483-S510 PolarHBondContact O-OG 3.05Å
484	P	89.7	Confident	90.5	Very high	6 Å²	6	26 Å²	26	4%	0.039	19%	0.187	C	C	.	.			trans	-67.4	148.4	174.2	31	-36.2	0	0	0	110.9	L397 D398	L397-P484 HydrophobicContact CB-CG 4.15Å; D398-P484 HydrophobicContact CB-CB 4Å; D398-P484 HydrophobicContact CB-CG 3.99Å
485	V	90.5	Very high	90.5	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.097	19%	0.187	C	C	.	.			trans	-132.7	171.9	-173.4	-66.7	0	0	0	0	111.1	M493 S510 D512 W585	V485-M493 HydrophobicContact CG1-CE 3.98Å; V485-S510 WeakPolarHBondContact CG1-OG 3.13Å; V485-D512 HydrophobicContact CG2-CB 3.68Å; V485-W585 HydrophobicContact CB-CB 4.44Å; V485-W585 HydrophobicContact CB-CD2 3.75Å; V485-W585 HydrophobicContact CB-CE3 3.98Å; V485-W585 HydrophobicContact CB-CG 3.97Å; V485-W585 HydrophobicContact CB-CZ3 4.46Å; V485-W585 HydrophobicContact CG1-CD2 3.92Å; V485-W585 HydrophobicContact CG1-CE3 3.59Å; V485-W585 HydrophobicContact CG1-CG 4.41Å; V485-W585 HydrophobicContact CG1-CZ3 3.95Å; V485-W585 HydrophobicContact CG2-CD2 3.88Å; V485-W585 HydrophobicContact CG2-CE3 4.17Å; V485-W585 HydrophobicContact CG2-CG 4.42Å; V485-W585 HydrophobicContact CG2-CH2 4.07Å; V485-W585 HydrophobicContact CG2-CZ2 3.81Å; V485-W585 HydrophobicContact CG2-CZ3 4.26Å
486	G	86.3	Confident	90.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	100.3	-172.8	-175	0	0	0	0	0	114.1	A488 H489 V490	G486-A488 PolarHBondContact O-N 2.96Å; G486-A488 VanDerWaalsContact O-N 3.09Å; G486-H489 PolarHBondContact O-N 2.85Å; G486-V490 PolarHBondContact O-N 3.04Å
487	S	81.6	Confident	90.7	Very high	8 Å²	8	19.5 Å²	19.5	6%	0.056	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	-162.4	-74.8	0	0	0	0	114.6	H489 D516 H525	S487-H489 VanDerWaalsContact C-N 3.31Å; S487-H489 PolarHBondContact O-N 3.42Å; S487-D516 WeakPolarHBondContact CB-OD2 3.17Å; S487-D516 PolarHBondContact N-OD1 3.03Å; S487-D516 PolarHBondContact N-OD2 2.74Å; S487-D516 PolarHBondContact OG-OD1 2.77Å; S487-D516 PolarHBondContact OG-OD2 3.37Å; S487-H525 PolarHBondContact OG-NE2 2.9Å; S487-H525 VanDerWaalsContact OG-NE2 3.13Å
488	A	83	Confident	90.6	Very high	40 Å²	40	24.1 Å²	24.1	33%	0.331	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.1	175.8	0	0	0	0	0	113.8	G486 R565	G486-A488 PolarHBondContact O-N 2.96Å; G486-A488 VanDerWaalsContact O-N 3.09Å; A488-R565 HydrophobicContact CB-CG 3.87Å
489	H	84.8	Confident	90.3	Very high	49 Å²	49	23.6 Å²	23.6	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-9.7	-171	-56.2	-75.4	0	0	0	113.5	G486 S487 A491 A492 M493	G486-H489 PolarHBondContact O-N 2.85Å; S487-H489 VanDerWaalsContact C-N 3.31Å; S487-H489 PolarHBondContact O-N 3.42Å; H489-A491 PolarHBondContact O-N 3.46Å; H489-A492 PolarHBondContact O-N 3.22Å; H489-M493 HydrophobicContact CB-CE 3.83Å; H489-M493 PolarHBondContact O-N 2.95Å
490	V	84.5	Confident	90.2	Very high	39 Å²	39	23.7 Å²	23.7	24%	0.236	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-51.5	-178.4	168.7	0	0	0	0	113.3	G486 A492 M493 T518 P582	G486-V490 PolarHBondContact O-N 3.04Å; V490-A492 VanDerWaalsContact C-N 3.3Å; V490-A492 PolarHBondContact O-N 3.36Å; V490-M493 PolarHBondContact O-N 2.97Å; V490-T518 HydrophobicContact CG2-CG2 3.51Å; V490-P582 HydrophobicContact CG1-CB 3.42Å; V490-P582 VanDerWaalsContact CG1-CB 3.42Å; V490-P582 HydrophobicContact CG1-CG 3.93Å
491	A	84.5	Confident	90	Very high	80 Å²	80	27.4 Å²	27.4	66%	0.661	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.5	-176	0	0	0	0	0	113.3	H489	H489-A491 PolarHBondContact O-N 3.46Å
492	A	86.5	Confident	89.7	Confident	15 Å²	15	33.8 Å²	33.8	12%	0.124	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.3	178.2	0	0	0	0	0	112.9	L147 H489 V490 A495 V496	L147-A492 HydrophobicContact CD1-CB 4Å; L147-A492 HydrophobicContact CD2-CB 3.51Å; L147-A492 HydrophobicContact CG-CB 4.43Å; H489-A492 PolarHBondContact O-N 3.22Å; V490-A492 VanDerWaalsContact C-N 3.3Å; V490-A492 PolarHBondContact O-N 3.36Å; A492-A495 WeakPolarHBondContact O-CB 3.38Å; A492-A495 PolarHBondContact O-N 3.01Å; A492-V496 HydrophobicContact CB-CG2 4.24Å; A492-V496 PolarHBondContact O-N 2.99Å
493	M	90.7	Very high	89.5	Confident	7 Å²	7	34.3 Å²	34.3	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-53.6	-47.2	-166.3	-163.2	60.4	62.4	0	0	114.1	L483 V485 H489 V490 A495 V496 L497 V588	L483-M493 HydrophobicContact CD1-SD 4.36Å; L483-M493 HydrophobicContact CD2-SD 3.87Å; L483-M493 HydrophobicContact CG-SD 4.33Å; V485-M493 HydrophobicContact CG1-CE 3.98Å; H489-M493 HydrophobicContact CB-CE 3.83Å; H489-M493 PolarHBondContact O-N 2.95Å; V490-M493 PolarHBondContact O-N 2.97Å; M493-A495 VanDerWaalsContact C-N 3.3Å; M493-A495 PolarHBondContact O-N 3.21Å; M493-V496 PolarHBondContact O-N 3.41Å; M493-L497 HydrophobicContact CG-CD1 3.96Å; M493-L497 HydrophobicContact CG-CG 4.29Å; M493-L497 WeakPolarHBondContact O-CB 3.47Å; M493-L497 VanDerWaalsContact O-CG 3.25Å; M493-L497 WeakPolarHBondContact O-CG 3.17Å; M493-L497 PolarHBondContact O-N 2.89Å; M493-L497 HydrophobicContact SD-CD1 4.33Å; M493-L497 HydrophobicContact SD-CD2 4.46Å; M493-L497 HydrophobicContact SD-CG 4.19Å; M493-V588 HydrophobicContact CB-CG1 4.42Å; M493-V588 HydrophobicContact CG-CG1 3.93Å
494	P	89.9	Confident	89.5	Confident	64 Å²	64	35.7 Å²	35.7	42%	0.416	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-31.9	179.3	-20	34	0	0	0	113.4	R498	P494-R498 WeakPolarHBondContact O-CG 3.33Å; P494-R498 PolarHBondContact O-N 3.44Å; P494-R498 PolarHBondContact O-NH1 3.34Å
495	A	88.9	Confident	89.8	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-47	176.6	0	0	0	0	0	111.4	I150 A492 M493 R498 L499	I150-A495 HydrophobicContact CB-CB 3.71Å; I150-A495 HydrophobicContact CD1-CB 4.29Å; I150-A495 HydrophobicContact CG2-CB 3.37Å; A492-A495 WeakPolarHBondContact O-CB 3.38Å; A492-A495 PolarHBondContact O-N 3.01Å; M493-A495 VanDerWaalsContact C-N 3.3Å; M493-A495 PolarHBondContact O-N 3.21Å; A495-R498 PolarHBondContact O-N 2.83Å; A495-L499 PolarHBondContact O-N 2.9Å; A495-L499 VanDerWaalsContact O-N 3.12Å
496	V	91.9	Very high	90.1	Very high	17 Å²	17	39.9 Å²	39.9	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-44.4	177.8	176.6	0	0	0	0	110.8	L397 L483 A492 M493 R498 L499 V500	L397-V496 HydrophobicContact CD2-CG1 3.97Å; L483-V496 HydrophobicContact CD1-CG1 3.74Å; A492-V496 HydrophobicContact CB-CG2 4.24Å; A492-V496 PolarHBondContact O-N 2.99Å; M493-V496 PolarHBondContact O-N 3.41Å; V496-R498 PolarHBondContact O-N 2.92Å; V496-L499 WeakPolarHBondContact O-CA 3.29Å; V496-L499 WeakPolarHBondContact O-CB 3.41Å; V496-L499 PolarHBondContact O-N 3.44Å; V496-V500 HydrophobicContact CG1-CG2 4.2Å; V496-V500 WeakPolarHBondContact O-CG2 3.25Å; V496-V500 PolarHBondContact O-N 3.45Å
497	L	94.3	Very high	90.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-36.6	178.9	-68.2	178.7	0	0	0	113.1	L483 M493 L499 V500 K501 V588 L589 A592 F594	L483-L497 HydrophobicContact CD2-CD2 3.83Å; M493-L497 HydrophobicContact CG-CD1 3.96Å; M493-L497 HydrophobicContact CG-CG 4.29Å; M493-L497 WeakPolarHBondContact O-CB 3.47Å; M493-L497 VanDerWaalsContact O-CG 3.25Å; M493-L497 WeakPolarHBondContact O-CG 3.17Å; M493-L497 PolarHBondContact O-N 2.89Å; M493-L497 HydrophobicContact SD-CD1 4.33Å; M493-L497 HydrophobicContact SD-CD2 4.46Å; M493-L497 HydrophobicContact SD-CG 4.19Å; L497-L499 VanDerWaalsContact C-N 3.33Å; L497-V500 PolarHBondContact O-N 3.1Å; L497-K501 WeakPolarHBondContact O-CG 3.33Å; L497-K501 PolarHBondContact O-N 3.04Å; L497-K501 VanDerWaalsContact O-N 3.15Å; L497-V588 HydrophobicContact CD1-CG1 4.02Å; L497-L589 HydrophobicContact CD1-CD2 4.2Å; L497-L589 HydrophobicContact CD1-CG 4.22Å; L497-L589 HydrophobicContact CD2-CD2 3.52Å; L497-L589 HydrophobicContact CD2-CG 4.32Å; L497-A592 HydrophobicContact CB-CB 4.29Å; L497-A592 HydrophobicContact CD1-CB 3.94Å; L497-F594 HydrophobicContact CB-CE2 3.93Å; L497-F594 HydrophobicContact CB-CZ 4.39Å; L497-F594 HydrophobicContact CD2-CD2 4.32Å; L497-F594 HydrophobicContact CD2-CE2 3.8Å; L497-F594 HydrophobicContact CD2-CZ 3.94Å; L497-F594 HydrophobicContact CG-CE2 4.28Å
498	R	92.6	Very high	91.5	Very high	132 Å²	132	39.4 Å²	39.4	50%	0.498	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-38.5	170.2	-75.5	-168.1	-60.2	-95.2	12.6	112.3	I150 P494 A495 V496 R502	I150-R498 PolarHBondContact O-NH2 3.21Å; P494-R498 WeakPolarHBondContact O-CG 3.33Å; P494-R498 PolarHBondContact O-N 3.44Å; P494-R498 PolarHBondContact O-NH1 3.34Å; A495-R498 PolarHBondContact O-N 2.83Å; V496-R498 PolarHBondContact O-N 2.92Å; R498-R502 PolarHBondContact O-N 3.31Å
499	L	92.1	Very high	92.2	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-50.8	175.4	178	49	0	0	0	111.1	F146 P467 L470 A495 V496 L497 K501 R502 L503	F146-L499 HydrophobicContact CZ-CD2 3.79Å; P467-L499 HydrophobicContact CB-CD1 4.04Å; L470-L499 HydrophobicContact CD2-CD1 4.21Å; L470-L499 HydrophobicContact CD2-CD2 3.8Å; L470-L499 HydrophobicContact CD2-CG 4.09Å; A495-L499 PolarHBondContact O-N 2.9Å; A495-L499 VanDerWaalsContact O-N 3.12Å; V496-L499 WeakPolarHBondContact O-CA 3.29Å; V496-L499 WeakPolarHBondContact O-CB 3.41Å; V496-L499 PolarHBondContact O-N 3.44Å; L497-L499 VanDerWaalsContact C-N 3.33Å; L499-K501 VanDerWaalsContact C-N 3.26Å; L499-K501 PolarHBondContact O-N 2.91Å; L499-R502 WeakPolarHBondContact O-CA 3.44Å; L499-R502 WeakPolarHBondContact O-CB 3.41Å; L499-R502 PolarHBondContact O-N 3.27Å; L499-L503 HydrophobicContact CD1-CD2 4.04Å; L499-L503 HydrophobicContact CD1-CG 4.4Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.97Å; L499-L503 VanDerWaalsContact O-N 3.11Å
500	V	94.4	Very high	92.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-51.7	-41.9	177.4	170.6	0	0	0	0	112.4	V481 V496 L497 R502 L503 A505 V508 F594	V481-V500 HydrophobicContact CG1-CG2 4.08Å; V481-V500 HydrophobicContact CG2-CG1 4.09Å; V481-V500 HydrophobicContact CG2-CG2 4.2Å; V496-V500 HydrophobicContact CG1-CG2 4.2Å; V496-V500 WeakPolarHBondContact O-CG2 3.25Å; V496-V500 PolarHBondContact O-N 3.45Å; L497-V500 PolarHBondContact O-N 3.1Å; V500-R502 PolarHBondContact O-N 3.42Å; V500-L503 PolarHBondContact O-N 3.23Å; V500-A505 HydrophobicContact CG1-CB 3.69Å; V500-V508 HydrophobicContact CG1-CG2 3.59Å; V500-F594 HydrophobicContact CB-CZ 4.27Å; V500-F594 HydrophobicContact CG1-CE1 3.79Å; V500-F594 HydrophobicContact CG1-CZ 3.88Å
501	K	94	Very high	93.2	Very high	79 Å²	79	33.5 Å²	33.5	34%	0.343	18%	0.177	S	C	.	.	H	α-helix	trans	-62.2	-39	174.5	-66.7	-118.1	170.3	-168.8	0	112.8	L497 L499 L503 G504 A592 G593 F594 C645	L497-K501 WeakPolarHBondContact O-CG 3.33Å; L497-K501 PolarHBondContact O-N 3.04Å; L497-K501 VanDerWaalsContact O-N 3.15Å; L499-K501 VanDerWaalsContact C-N 3.26Å; L499-K501 PolarHBondContact O-N 2.91Å; K501-L503 VanDerWaalsContact C-N 3.34Å; K501-L503 PolarHBondContact O-N 3.21Å; K501-G504 PolarHBondContact O-N 2.95Å; K501-A592 WeakPolarHBondContact CE-O 3.4Å; K501-A592 PolarHBondContact NZ-O 3.32Å; K501-G593 PolarHBondContact NZ-O 2.97Å; K501-F594 HydrophobicContact CD-CE2 4.24Å; K501-F594 HydrophobicContact CD-CZ 4.24Å; K501-F594 HydrophobicContact CG-CE2 3.92Å; K501-F594 HydrophobicContact CG-CZ 3.66Å; K501-C645 WeakPolarHBondContact CE-OXT 3.48Å; K501-C645 PolarHBondContact NZ-OXT 2.93Å
502	R	93.2	Very high	93.6	Very high	136 Å²	136	30.1 Å²	30.1	51%	0.513	15%	0.147	S	C	.	.	H	α-helix	trans	-69.7	-26.3	176.7	-68.1	-175.8	-64.8	177.6	1.5	113.6	V471 R498 L499 V500 G504	V471-R502 HydrophobicContact CG2-CB 4.1Å; R498-R502 PolarHBondContact O-N 3.31Å; L499-R502 WeakPolarHBondContact O-CA 3.44Å; L499-R502 WeakPolarHBondContact O-CB 3.41Å; L499-R502 PolarHBondContact O-N 3.27Å; V500-R502 PolarHBondContact O-N 3.42Å; R502-G504 PolarHBondContact O-N 3.02Å
503	L	93	Very high	93.7	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.068	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.1	172.7	-51.5	180	0	0	0	112.8	L395 L470 V471 T474 L499 V500 K501 A505	L395-L503 HydrophobicContact CD2-CD1 3.49Å; L395-L503 VanDerWaalsContact CD2-CD1 3.49Å; L470-L503 HydrophobicContact CB-CD2 4.37Å; L470-L503 HydrophobicContact CD2-CD1 4.11Å; L470-L503 HydrophobicContact CD2-CD2 4.19Å; L470-L503 HydrophobicContact CG-CD1 4.28Å; L470-L503 HydrophobicContact CG-CD2 3.79Å; V471-L503 HydrophobicContact CB-CD2 4.33Å; V471-L503 HydrophobicContact CG2-CD2 3.75Å; T474-L503 HydrophobicContact CG2-CD1 4.37Å; T474-L503 HydrophobicContact CG2-CD2 4.2Å; L499-L503 HydrophobicContact CD1-CD2 4.04Å; L499-L503 HydrophobicContact CD1-CG 4.4Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.97Å; L499-L503 VanDerWaalsContact O-N 3.11Å; V500-L503 PolarHBondContact O-N 3.23Å; K501-L503 VanDerWaalsContact C-N 3.34Å; K501-L503 PolarHBondContact O-N 3.21Å; L503-A505 PolarHBondContact O-N 2.94Å
504	G	92.7	Very high	93.2	Very high	34 Å²	34	33.1 Å²	33.1	35%	0.351	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	25.2	-174.8	0	0	0	0	0	113.5	K501 R502 K506	K501-G504 PolarHBondContact O-N 2.95Å; R502-G504 PolarHBondContact O-N 3.02Å; G504-K506 WeakPolarHBondContact O-CE 3.26Å; G504-K506 PolarHBondContact O-NZ 3.11Å
505	A	96.7	Very high	92.8	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	14%	0.143	C	C	.	.			trans	-48	143.3	-179.9	0	0	0	0	0	112.2	V479 V481 V500 L503 C645	V479-A505 HydrophobicContact CG1-CB 4.07Å; V481-A505 HydrophobicContact CG2-CB 3.95Å; V500-A505 HydrophobicContact CG1-CB 3.69Å; L503-A505 PolarHBondContact O-N 2.94Å; A505-C645 WeakPolarHBondContact O-CB 3.41Å
506	K	97.3	Very high	92.6	Very high	105 Å²	105	31.1 Å²	31.1	46%	0.457	14%	0.144	S	C	.	.	S	Bend	trans	-96.2	-43.9	178.6	-54.9	-51.2	176	-143.5	0	111.3	L386 V479 G504 R644	L386-K506 HydrophobicContact CD2-CB 3.55Å; L386-K506 HydrophobicContact CD2-CG 3.83Å; V479-K506 PolarHBondContact O-N 3.31Å; G504-K506 WeakPolarHBondContact O-CE 3.26Å; G504-K506 PolarHBondContact O-NZ 3.11Å; K506-R644 WeakPolarHBondContact O-CA 3.47Å; K506-R644 WeakPolarHBondContact O-CG 3.48Å
507	V	97.8	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	178.2	65.4	0	0	0	0	110.9	E385 L386 A480 V481 V509 A642 W643	E385-V507 HydrophobicContact CB-CB 4.03Å; E385-V507 HydrophobicContact CB-CG1 4.22Å; E385-V507 HydrophobicContact CB-CG2 4.46Å; E385-V507 HydrophobicContact CG-CB 3.99Å; E385-V507 HydrophobicContact CG-CG2 3.96Å; L386-V507 HydrophobicContact CD1-CG1 4.18Å; L386-V507 HydrophobicContact CG-CG1 4.27Å; A480-V507 CarbonylContact C-O 3.59Å; A480-V507 WeakPolarHBondContact CA-O 3.35Å; A480-V507 HydrophobicContact CB-CG1 3.68Å; V481-V507 PolarHBondContact N-O 2.93Å; V507-V509 HydrophobicContact CG2-CG2 3.92Å; V507-A642 HydrophobicContact CG2-CB 3.95Å; V507-W643 CarbonylContact C-O 3.54Å; V507-W643 WeakPolarHBondContact CA-O 3.43Å
508	V	97.9	Very high	92.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.5	163.7	-174.4	0	0	0	0	107.3	V481 L483 V500 F594 A642 W643	V481-V508 HydrophobicContact CB-CG2 4.44Å; V481-V508 CarbonylContact O-C 3.54Å; V481-V508 WeakPolarHBondContact O-CA 3.19Å; L483-V508 HydrophobicContact CB-CG1 3.72Å; L483-V508 HydrophobicContact CD2-CG1 3.68Å; L483-V508 HydrophobicContact CG-CG1 4.36Å; V500-V508 HydrophobicContact CG1-CG2 3.59Å; V508-F594 HydrophobicContact CG2-CD1 3.92Å; V508-F594 HydrophobicContact CG2-CE1 3.58Å; V508-A642 CarbonylContact O-C 3.52Å; V508-A642 WeakPolarHBondContact O-CA 3.32Å; V508-W643 HydrophobicContact CB-CB 4.39Å; V508-W643 PolarHBondContact N-O 3.22Å; V508-W643 PolarHBondContact O-N 3.04Å
509	V	97.9	Very high	92.2	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126	173.6	-169	0	0	0	0	108.8	C378 A381 V382 V481 H482 L483 V507 V640 A642	C378-V509 HydrophobicContact CB-CG1 4.11Å; C378-V509 VanDerWaalsContact SG-CG1 3.56Å; A381-V509 HydrophobicContact CB-CG1 4.43Å; A381-V509 HydrophobicContact CB-CG2 3.85Å; V382-V509 HydrophobicContact CG2-CG2 4.13Å; V481-V509 PolarHBondContact O-N 3.11Å; H482-V509 WeakPolarHBondContact CA-O 3.46Å; L483-V509 PolarHBondContact N-O 2.9Å; V507-V509 HydrophobicContact CG2-CG2 3.92Å; V509-V640 HydrophobicContact CG1-CG1 3.77Å; V509-A642 HydrophobicContact CG2-CB 4.29Å
510	S	96.5	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.9	179.8	-71.6	0	0	0	0	111.6	L483 V485 V640 S641	L483-S510 VanDerWaalsContact O-CA 3.3Å; L483-S510 WeakPolarHBondContact O-CA 3.16Å; L483-S510 WeakPolarHBondContact O-CB 3.49Å; L483-S510 PolarHBondContact O-OG 3.05Å; V485-S510 WeakPolarHBondContact CG1-OG 3.13Å; S510-V640 WeakPolarHBondContact O-CA 3.41Å; S510-S641 PolarHBondContact N-O 3.3Å; S510-S641 PolarHBondContact O-N 3.41Å
511	V	94.7	Very high	92.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.4	178.7	-177.5	0	0	0	0	108.4	A374 H482 R513 V638 S639 V640	A374-V511 HydrophobicContact CB-CG1 4.06Å; H482-V511 WeakPolarHBondContact NE2-CG2 3.41Å; V511-R513 HydrophobicContact CG1-CG 3.93Å; V511-V638 HydrophobicContact CG1-CG2 3.58Å; V511-S639 WeakPolarHBondContact CA-O 3.46Å; V511-V640 HydrophobicContact CB-CG2 4.5Å; V511-V640 HydrophobicContact CG1-CG2 4.21Å; V511-V640 HydrophobicContact CG2-CG1 4.33Å; V511-V640 HydrophobicContact CG2-CG2 4.02Å
512	D	93.5	Very high	92.1	Very high	9 Å²	9	32 Å²	32	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	99.4	176.8	-176.5	-7.2	0	0	0	108.9	V485 C515 D516 W585 V638 S639	V485-D512 HydrophobicContact CG2-CB 3.68Å; D512-C515 WeakPolarHBondContact OD1-CA 3.41Å; D512-C515 PolarHBondContact OD1-N 3.1Å; D512-D516 PolarHBondContact OD1-N 2.9Å; D512-W585 HydrophobicContact CB-CZ2 3.63Å; D512-W585 PolarHBondContact OD2-NE1 2.67Å; D512-V638 VanDerWaalsContact O-CA 3.29Å; D512-V638 WeakPolarHBondContact O-CA 3.47Å; D512-S639 PolarHBondContact N-O 3.31Å; D512-S639 PolarHBondContact O-N 3.33Å
513	R	88	Confident	92.2	Very high	77 Å²	77	26.4 Å²	26.4	29%	0.291	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.6	177.9	-57.4	-170.3	-173.1	92	-5.7	108.8	D398 V511 C515 R566 V638	D398-R513 IonicContact OD2-CZ 2.61Å; D398-R513 VanDerWaalsContact OD2-CZ 3.24Å; D398-R513 IonicContact OD2-NH1 3.65Å; D398-R513 PolarHBondContact OD2-NH1 2.92Å; D398-R513 IonicContact OD2-NH2 3.72Å; D398-R513 PolarHBondContact OD2-NH2 3.18Å; V511-R513 HydrophobicContact CG1-CG 3.93Å; R513-C515 VanDerWaalsContact C-N 3.3Å; R513-C515 PolarHBondContact O-N 3.5Å; R513-R566 VanDerWaalsContact O-CZ 3.28Å; R513-R566 PolarHBondContact O-NH1 3.43Å; R513-R566 PolarHBondContact O-NH2 2.91Å; R513-V638 HydrophobicContact CG-CG2 4.21Å
514	G	80.2	Confident	92.3	Very high	8 Å²	8	29.1 Å²	29.1	8%	0.082	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	16.5	-178.5	0	0	0	0	0	116	Q528 S532 L637	G514-Q528 PolarHBondContact O-NE2 3.17Å; G514-Q528 VanDerWaalsContact O-NE2 3.07Å; G514-S532 WeakPolarHBondContact CA-OG 3.14Å; G514-S532 PolarHBondContact O-OG 3.34Å; G514-L637 PolarHBondContact N-O 3.27Å
515	C	82	Confident	92.4	Very high	17 Å²	17	27.5 Å²	27.5	12%	0.115	14%	0.137	C	C	.	.			trans	54	58.9	168.7	-53	0	0	0	0	113.7	D512 R513 R517 Q528 E636	D512-C515 WeakPolarHBondContact OD1-CA 3.41Å; D512-C515 PolarHBondContact OD1-N 3.1Å; R513-C515 VanDerWaalsContact C-N 3.3Å; R513-C515 PolarHBondContact O-N 3.5Å; C515-R517 WeakPolarHBondContact O-CG 3.34Å; C515-R517 PolarHBondContact O-N 2.69Å; C515-Q528 PolarHBondContact O-NE2 3.12Å; C515-Q528 PolarHBondContact O-OE1 2.77Å; C515-Q528 VanDerWaalsContact O-OE1 3.11Å; C515-E636 VanDerWaalsContact SG-CB 3.5Å; C515-E636 VanDerWaalsContact SG-CD 3.54Å; C515-E636 WeakPolarHBondContact SG-CG 3.28Å; C515-E636 PolarHBondContact SG-O 3.47Å; C515-E636 VanDerWaalsContact SG-O 3.42Å
516	D	84.2	Confident	92.4	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	14%	0.136	C	C	.	.			trans	-67.5	100.9	-168.8	-163.9	-41	0	0	0	112.5	S487 D512 T518 H525 R566	S487-D516 WeakPolarHBondContact CB-OD2 3.17Å; S487-D516 PolarHBondContact N-OD1 3.03Å; S487-D516 PolarHBondContact N-OD2 2.74Å; S487-D516 PolarHBondContact OG-OD1 2.77Å; S487-D516 PolarHBondContact OG-OD2 3.37Å; D512-D516 PolarHBondContact OD1-N 2.9Å; D516-T518 VanDerWaalsContact C-N 3.26Å; D516-T518 PolarHBondContact O-N 3.01Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.32Å; D516-H525 IonicContact OD1-CD2 3.54Å; D516-H525 IonicContact OD1-CE1 3.16Å; D516-H525 IonicContact OD1-NE2 2.74Å; D516-H525 PolarHBondContact OD1-NE2 3.41Å; D516-H525 IonicContact OD2-NE2 3.83Å; D516-R566 VanDerWaalsContact OD2-CG 3.3Å; D516-R566 WeakPolarHBondContact OD2-CG 3.26Å; D516-R566 IonicContact OD2-NH1 2.69Å
517	R	90	Very high	92.3	Very high	119 Å²	119	25.1 Å²	25.1	45%	0.449	13%	0.128	S	C	.	.			trans	-82.2	68.4	179.9	-60.1	-57.7	-64.1	-84	-6.9	111.5	C515 E519 L520 H525 Q528	C515-R517 WeakPolarHBondContact O-CG 3.34Å; C515-R517 PolarHBondContact O-N 2.69Å; R517-E519 WeakPolarHBondContact CA-OE2 3.41Å; R517-E519 IonicContact CZ-OE1 2.74Å; R517-E519 IonicContact NE-OE1 2.71Å; R517-E519 PolarHBondContact NE-OE1 3.08Å; R517-E519 IonicContact NE-OE2 3.58Å; R517-E519 IonicContact NH2-OE1 3.13Å; R517-E519 PolarHBondContact NH2-OE1 3.07Å; R517-E519 PolarHBondContact O-N 3.29Å; R517-L520 HydrophobicContact CB-CD1 3.49Å; R517-L520 VanDerWaalsContact CB-CD1 3.49Å; R517-L520 HydrophobicContact CB-CG 3.77Å; R517-L520 HydrophobicContact CG-CD1 4.27Å; R517-L520 WeakPolarHBondContact O-CB 3.43Å; R517-L520 WeakPolarHBondContact O-CG 3.5Å; R517-L520 PolarHBondContact O-N 2.8Å; R517-H525 PolarHBondContact O-CD2 2.64Å; R517-Q528 HydrophobicContact CB-CG 4.46Å; R517-Q528 HydrophobicContact CG-CG 4.07Å; R517-Q528 VanDerWaalsContact N-OE1 3.1Å
518	T	88.1	Confident	92.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-31.2	-174.3	55.6	0	0	0	0	114.2	V490 D516 L520 R570 P582	V490-T518 HydrophobicContact CG2-CG2 3.51Å; D516-T518 VanDerWaalsContact C-N 3.26Å; D516-T518 PolarHBondContact O-N 3.01Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.32Å; T518-L520 VanDerWaalsContact C-N 3.3Å; T518-L520 PolarHBondContact O-N 3.07Å; T518-R570 PolarHBondContact O-NE 2.67Å; T518-P582 VanDerWaalsContact O-CG 3.32Å; T518-P582 WeakPolarHBondContact O-CG 3.24Å
519	E	91.3	Very high	92.1	Very high	49 Å²	49	26.9 Å²	26.9	23%	0.229	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.1	-177.5	76.8	-79.5	-167	0	0	115	R517 P582 P584	R517-E519 WeakPolarHBondContact CA-OE2 3.41Å; R517-E519 IonicContact CZ-OE1 2.74Å; R517-E519 IonicContact NE-OE1 2.71Å; R517-E519 PolarHBondContact NE-OE1 3.08Å; R517-E519 IonicContact NE-OE2 3.58Å; R517-E519 IonicContact NH2-OE1 3.13Å; R517-E519 PolarHBondContact NH2-OE1 3.07Å; R517-E519 PolarHBondContact O-N 3.29Å; E519-P582 WeakPolarHBondContact CA-O 3.48Å; E519-P582 VanDerWaalsContact CB-O 3.26Å; E519-P582 WeakPolarHBondContact CB-O 3.4Å; E519-P584 HydrophobicContact CB-CG 4.12Å; E519-P584 HydrophobicContact CG-CG 3.99Å
520	L	93	Very high	92	Very high	45 Å²	45	27.2 Å²	27.2	24%	0.236	14%	0.138	C	C	.	.	S	Bend	trans	-72	159	178.4	-64	178.4	0	0	0	112.1	R517 T518 T524 H525 Q528 R570	R517-L520 HydrophobicContact CB-CD1 3.49Å; R517-L520 VanDerWaalsContact CB-CD1 3.49Å; R517-L520 HydrophobicContact CB-CG 3.77Å; R517-L520 HydrophobicContact CG-CD1 4.27Å; R517-L520 WeakPolarHBondContact O-CB 3.43Å; R517-L520 WeakPolarHBondContact O-CG 3.5Å; R517-L520 PolarHBondContact O-N 2.8Å; T518-L520 VanDerWaalsContact C-N 3.3Å; T518-L520 PolarHBondContact O-N 3.07Å; L520-T524 HydrophobicContact CB-CG2 4.45Å; L520-T524 HydrophobicContact CD1-CG2 4.16Å; L520-T524 HydrophobicContact CD2-CG2 4.25Å; L520-H525 HydrophobicContact CB-CB 4.11Å; L520-Q528 HydrophobicContact CD1-CB 4.13Å; L520-Q528 HydrophobicContact CD1-CG 4.42Å; L520-R570 PolarHBondContact O-NE 3.33Å; L520-R570 PolarHBondContact O-NH2 3.18Å
521	S	92.6	Very high	91.9	Very high	43 Å²	43	32.7 Å²	32.7	30%	0.301	16%	0.164	S	C	.	.			trans	-56.3	156.8	166.2	105.7	0	0	0	0	110.4	E293 S523 T524 H525	E293-S521 WeakPolarHBondContact OE1-CA 3.39Å; E293-S521 WeakPolarHBondContact OE1-CB 3.25Å; E293-S521 PolarHBondContact OE1-OG 3.17Å; E293-S521 PolarHBondContact OE2-OG 2.84Å; S521-S523 PolarHBondContact O-N 3.13Å; S521-S523 PolarHBondContact OG-OG 3.42Å; S521-T524 PolarHBondContact O-N 2.9Å; S521-T524 PolarHBondContact OG-N 3.46Å; S521-T524 PolarHBondContact OG-OG1 3.19Å; S521-H525 WeakPolarHBondContact O-CB 3.33Å; S521-H525 PolarHBondContact O-N 2.95Å
522	F	93.9	Very high	92	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-48.4	-179.2	177.4	-117	0	0	0	112.8	A292 E293 L332 T524 H525 L526 V567 R570 H571 A574	A292-F522 HydrophobicContact CB-CD1 4.35Å; A292-F522 HydrophobicContact CB-CE1 3.86Å; E293-F522 HydrophobicContact CB-CB 4.22Å; E293-F522 HydrophobicContact CB-CD1 4.22Å; E293-F522 VanDerWaalsContact CD-N 3.34Å; E293-F522 HydrophobicContact CG-CB 4.26Å; E293-F522 PolarHBondContact OE1-N 3.46Å; E293-F522 PolarHBondContact OE2-N 3.3Å; L332-F522 HydrophobicContact CD1-CE1 3.75Å; L332-F522 HydrophobicContact CD1-CZ 3.64Å; F522-T524 VanDerWaalsContact C-N 3.33Å; F522-T524 PolarHBondContact O-N 3.33Å; F522-H525 PolarHBondContact O-N 2.88Å; F522-L526 HydrophobicContact CE1-CD1 4.45Å; F522-L526 HydrophobicContact CE2-CD1 4.49Å; F522-L526 HydrophobicContact CZ-CD1 4.01Å; F522-L526 WeakPolarHBondContact O-CB 3.27Å; F522-L526 PolarHBondContact O-N 2.89Å; F522-V567 HydrophobicContact CE2-CG1 4.29Å; F522-V567 HydrophobicContact CZ-CG1 4.18Å; F522-R570 HydrophobicContact CD2-CB 4.26Å; F522-R570 HydrophobicContact CD2-CG 3.89Å; F522-R570 HydrophobicContact CE2-CB 4.45Å; F522-H571 HydrophobicContact CD2-CB 4.27Å; F522-H571 AromaticContact CE1-CD2 3.74Å; F522-H571 HydrophobicContact CE2-CB 3.58Å; F522-H571 HydrophobicContact CZ-CB 3.72Å; F522-H571 AromaticContact CZ-CD2 3.79Å; F522-A574 HydrophobicContact CB-CB 3.85Å; F522-A574 HydrophobicContact CG-CB 4.33Å
523	S	95.3	Very high	92.1	Very high	19 Å²	19	33 Å²	33	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-36.4	177.6	59.3	0	0	0	0	112.7	E293 S521 L527	E293-S523 VanDerWaalsContact OE2-CB 3.26Å; E293-S523 WeakPolarHBondContact OE2-CB 3.24Å; E293-S523 PolarHBondContact OE2-N 2.82Å; E293-S523 PolarHBondContact OE2-OG 3.09Å; S521-S523 PolarHBondContact O-N 3.13Å; S521-S523 PolarHBondContact OG-OG 3.42Å; S523-L527 PolarHBondContact O-N 3.02Å
524	T	95.2	Very high	92.5	Very high	70 Å²	70	30.8 Å²	30.8	43%	0.429	16%	0.162	S	C	.	.	H	α-helix	trans	-72.9	-39.4	178.7	-46.2	0	0	0	0	111.9	L520 S521 F522 L527 Q528	L520-T524 HydrophobicContact CB-CG2 4.45Å; L520-T524 HydrophobicContact CD1-CG2 4.16Å; L520-T524 HydrophobicContact CD2-CG2 4.25Å; S521-T524 PolarHBondContact O-N 2.9Å; S521-T524 PolarHBondContact OG-N 3.46Å; S521-T524 PolarHBondContact OG-OG1 3.19Å; F522-T524 VanDerWaalsContact C-N 3.33Å; F522-T524 PolarHBondContact O-N 3.33Å; T524-L527 PolarHBondContact O-N 3.32Å; T524-Q528 PolarHBondContact O-N 2.97Å
525	H	94.9	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-46.6	173.2	175.8	-93.2	0	0	0	111.5	S487 D516 R517 L520 S521 F522 L527 Q528 A529 R570	S487-H525 PolarHBondContact OG-NE2 2.9Å; S487-H525 VanDerWaalsContact OG-NE2 3.13Å; D516-H525 IonicContact OD1-CD2 3.54Å; D516-H525 IonicContact OD1-CE1 3.16Å; D516-H525 IonicContact OD1-NE2 2.74Å; D516-H525 PolarHBondContact OD1-NE2 3.41Å; D516-H525 IonicContact OD2-NE2 3.83Å; R517-H525 PolarHBondContact O-CD2 2.64Å; L520-H525 HydrophobicContact CB-CB 4.11Å; S521-H525 WeakPolarHBondContact O-CB 3.33Å; S521-H525 PolarHBondContact O-N 2.95Å; F522-H525 PolarHBondContact O-N 2.88Å; H525-L527 VanDerWaalsContact C-N 3.28Å; H525-L527 PolarHBondContact O-N 2.89Å; H525-Q528 PolarHBondContact O-N 3.44Å; H525-Q528 VanDerWaalsContact O-N 3.1Å; H525-A529 WeakPolarHBondContact O-CB 3.35Å; H525-A529 PolarHBondContact O-N 3.48Å; H525-R570 HydrophobicContact CB-CG 4.19Å; H525-R570 WeakPolarHBondContact ND1-CG 3.34Å
526	L	95.9	Very high	93.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-42.1	178.6	-169.8	147.9	0	0	0	111	L285 A289 F328 L332 F522 F530 V567	L285-L526 HydrophobicContact CD1-CD2 4.22Å; L285-L526 HydrophobicContact CD2-CD2 4.31Å; L285-L526 HydrophobicContact CG-CD2 3.97Å; A289-L526 HydrophobicContact CB-CB 4.29Å; A289-L526 HydrophobicContact CB-CD1 3.88Å; A289-L526 HydrophobicContact CB-CD2 4.15Å; A289-L526 HydrophobicContact CB-CG 4.32Å; F328-L526 HydrophobicContact CD1-CD2 3.94Å; F328-L526 HydrophobicContact CD1-CG 3.88Å; F328-L526 HydrophobicContact CE1-CG 4.33Å; L332-L526 HydrophobicContact CB-CD1 4.49Å; L332-L526 HydrophobicContact CD1-CD1 4.14Å; L332-L526 HydrophobicContact CD2-CD1 4.15Å; F522-L526 HydrophobicContact CE1-CD1 4.45Å; F522-L526 HydrophobicContact CE2-CD1 4.49Å; F522-L526 HydrophobicContact CZ-CD1 4.01Å; F522-L526 WeakPolarHBondContact O-CB 3.27Å; F522-L526 PolarHBondContact O-N 2.89Å; L526-F530 WeakPolarHBondContact O-CB 3.36Å; L526-F530 PolarHBondContact O-N 2.99Å; L526-V567 HydrophobicContact CD1-CG1 4.05Å; L526-V567 HydrophobicContact CD1-CG2 4.46Å
527	L	95.5	Very high	94.4	Very high	57 Å²	57	32 Å²	32	30%	0.298	17%	0.167	S	C	.	.	H	α-helix	trans	-67.5	-37.5	175.6	-174.4	60.4	0	0	0	113.1	V282 S523 T524 H525 F530 Q531	V282-L527 HydrophobicContact CG1-CD1 4.39Å; S523-L527 PolarHBondContact O-N 3.02Å; T524-L527 PolarHBondContact O-N 3.32Å; H525-L527 VanDerWaalsContact C-N 3.28Å; H525-L527 PolarHBondContact O-N 2.89Å; L527-F530 HydrophobicContact CD1-CD1 4.23Å; L527-F530 PolarHBondContact O-N 2.97Å; L527-Q531 VanDerWaalsContact O-CG 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.25Å; L527-Q531 PolarHBondContact O-N 2.59Å
528	Q	95.4	Very high	94.6	Very high	34 Å²	34	29.6 Å²	29.6	16%	0.159	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-46.8	175.1	178.5	-88.4	-69.3	0	0	111.8	G514 C515 R517 L520 T524 H525 F530 Q531 S532	G514-Q528 PolarHBondContact O-NE2 3.17Å; G514-Q528 VanDerWaalsContact O-NE2 3.07Å; C515-Q528 PolarHBondContact O-NE2 3.12Å; C515-Q528 PolarHBondContact O-OE1 2.77Å; C515-Q528 VanDerWaalsContact O-OE1 3.11Å; R517-Q528 HydrophobicContact CB-CG 4.46Å; R517-Q528 HydrophobicContact CG-CG 4.07Å; R517-Q528 VanDerWaalsContact N-OE1 3.1Å; L520-Q528 HydrophobicContact CD1-CB 4.13Å; L520-Q528 HydrophobicContact CD1-CG 4.42Å; T524-Q528 PolarHBondContact O-N 2.97Å; H525-Q528 PolarHBondContact O-N 3.44Å; H525-Q528 VanDerWaalsContact O-N 3.1Å; Q528-F530 VanDerWaalsContact C-N 3.33Å; Q528-Q531 PolarHBondContact O-N 3.43Å; Q528-S532 PolarHBondContact O-N 3.48Å; Q528-S532 VanDerWaalsContact O-N 3.08Å
529	A	95.5	Very high	94.9	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-38.5	177.1	0	0	0	0	0	111.3	F328 H525 S532 C533	F328-A529 HydrophobicContact CE1-CB 3.78Å; F328-A529 HydrophobicContact CZ-CB 3.75Å; H525-A529 WeakPolarHBondContact O-CB 3.35Å; H525-A529 PolarHBondContact O-N 3.48Å; A529-S532 PolarHBondContact O-N 3.29Å; A529-C533 PolarHBondContact O-N 3.42Å
530	F	96.2	Very high	95	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-50.1	172.4	170.6	-93.3	0	0	0	111.6	V282 L285 L321 A325 F328 L526 L527 Q528 S532 C533 V534	V282-F530 HydrophobicContact CG1-CE1 3.98Å; V282-F530 HydrophobicContact CG1-CZ 4.36Å; V282-F530 HydrophobicContact CG2-CE1 3.8Å; V282-F530 HydrophobicContact CG2-CE2 4.36Å; V282-F530 HydrophobicContact CG2-CZ 3.44Å; V282-F530 VanDerWaalsContact CG2-CZ 3.44Å; L285-F530 HydrophobicContact CD2-CD2 3.79Å; L285-F530 HydrophobicContact CD2-CE2 4.07Å; L285-F530 HydrophobicContact CD2-CG 4.46Å; L321-F530 HydrophobicContact CD1-CE1 3.89Å; L321-F530 HydrophobicContact CD1-CZ 3.64Å; L321-F530 HydrophobicContact CG-CZ 4.46Å; A325-F530 HydrophobicContact CB-CE2 4.11Å; F328-F530 HydrophobicContact CB-CD2 4.43Å; F328-F530 HydrophobicContact CD1-CB 4.14Å; F328-F530 HydrophobicContact CD2-CB 4.41Å; F328-F530 HydrophobicContact CD2-CD2 4.13Å; F328-F530 HydrophobicContact CE1-CB 4.11Å; F328-F530 HydrophobicContact CE2-CB 4.39Å; F328-F530 HydrophobicContact CG-CB 4.3Å; F328-F530 HydrophobicContact CG-CD2 4.19Å; F328-F530 HydrophobicContact CZ-CB 4.25Å; F328-F530 VanDerWaalsContact CZ-N 3.3Å; L526-F530 WeakPolarHBondContact O-CB 3.36Å; L526-F530 PolarHBondContact O-N 2.99Å; L527-F530 HydrophobicContact CD1-CD1 4.23Å; L527-F530 PolarHBondContact O-N 2.97Å; Q528-F530 VanDerWaalsContact C-N 3.33Å; F530-S532 VanDerWaalsContact C-N 3.26Å; F530-S532 PolarHBondContact O-N 2.82Å; F530-C533 WeakPolarHBondContact O-CB 3.26Å; F530-C533 PolarHBondContact O-N 3.22Å; F530-V534 HydrophobicContact CD1-CG2 4.22Å; F530-V534 HydrophobicContact CE1-CG2 3.77Å; F530-V534 HydrophobicContact CE2-CG2 4.14Å; F530-V534 HydrophobicContact CZ-CG2 3.72Å; F530-V534 WeakPolarHBondContact O-CG2 3.36Å; F530-V534 PolarHBondContact O-N 3.14Å
531	Q	95.6	Very high	94.9	Very high	115 Å²	115	28.4 Å²	28.4	54%	0.537	16%	0.159	S	C	.	.	H	α-helix	trans	-60.3	-34.8	177.5	-72.4	171.5	7.6	0	0	112.7	L527 Q528 S535	L527-Q531 VanDerWaalsContact O-CG 3.31Å; L527-Q531 WeakPolarHBondContact O-CG 3.25Å; L527-Q531 PolarHBondContact O-N 2.59Å; Q528-Q531 PolarHBondContact O-N 3.43Å; Q531-S535 PolarHBondContact O-N 2.69Å; Q531-S535 VanDerWaalsContact O-N 3.07Å; Q531-S535 PolarHBondContact O-OG 2.79Å
532	S	95.7	Very high	94.8	Very high	14 Å²	14	29 Å²	29	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-69.4	-39.3	173.3	-168.3	0	0	0	0	112.6	G514 Q528 A529 F530 S535 L536	G514-S532 WeakPolarHBondContact CA-OG 3.14Å; G514-S532 PolarHBondContact O-OG 3.34Å; Q528-S532 PolarHBondContact O-N 3.48Å; Q528-S532 VanDerWaalsContact O-N 3.08Å; A529-S532 PolarHBondContact O-N 3.29Å; F530-S532 VanDerWaalsContact C-N 3.26Å; F530-S532 PolarHBondContact O-N 2.82Å; S532-S535 WeakPolarHBondContact O-CB 3.46Å; S532-S535 PolarHBondContact O-N 3.29Å; S532-L536 PolarHBondContact O-N 2.95Å
533	C	96.1	Very high	94.2	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-43.6	175.1	-175.3	0	0	0	0	111.5	S324 F328 A529 F530 S535 L536 L537	S324-C533 PolarHBondContact OG-SG 3.45Å; F328-C533 HydrophobicContact CD2-CB 4.49Å; F328-C533 HydrophobicContact CE2-CB 3.59Å; F328-C533 HydrophobicContact CZ-CB 4.31Å; A529-C533 PolarHBondContact O-N 3.42Å; F530-C533 WeakPolarHBondContact O-CB 3.26Å; F530-C533 PolarHBondContact O-N 3.22Å; C533-S535 VanDerWaalsContact C-N 3.29Å; C533-S535 PolarHBondContact O-N 3.36Å; C533-L536 WeakPolarHBondContact O-CB 3.48Å; C533-L536 PolarHBondContact O-N 3.09Å; C533-L536 VanDerWaalsContact O-N 3.11Å; C533-L537 WeakPolarHBondContact O-CG 3.47Å; C533-L537 PolarHBondContact O-N 3.09Å
534	V	95.5	Very high	92.6	Very high	30 Å²	30	33.4 Å²	33.4	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-44.9	173.2	176.9	0	0	0	0	110.6	P320 L321 S324 F530 L536 L537 D538	P320-V534 HydrophobicContact CB-CG1 4.42Å; L321-V534 HydrophobicContact CD1-CG1 4.28Å; L321-V534 HydrophobicContact CD1-CG2 3.9Å; S324-V534 WeakPolarHBondContact OG-CA 3.05Å; S324-V534 WeakPolarHBondContact OG-CG2 3.45Å; S324-V534 PolarHBondContact OG-N 3.41Å; F530-V534 HydrophobicContact CD1-CG2 4.22Å; F530-V534 HydrophobicContact CE1-CG2 3.77Å; F530-V534 HydrophobicContact CE2-CG2 4.14Å; F530-V534 HydrophobicContact CZ-CG2 3.72Å; F530-V534 WeakPolarHBondContact O-CG2 3.36Å; F530-V534 PolarHBondContact O-N 3.14Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.48Å; V534-L537 PolarHBondContact O-N 3.39Å; V534-D538 VanDerWaalsContact O-CB 3.24Å; V534-D538 WeakPolarHBondContact O-CB 3.35Å; V534-D538 PolarHBondContact O-N 3.14Å
535	S	96	Very high	91.2	Very high	23 Å²	23	33.8 Å²	33.8	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-36.5	177.6	-55.4	0	0	0	0	112.3	Q531 S532 C533 S539	Q531-S535 PolarHBondContact O-N 2.69Å; Q531-S535 VanDerWaalsContact O-N 3.07Å; Q531-S535 PolarHBondContact O-OG 2.79Å; S532-S535 WeakPolarHBondContact O-CB 3.46Å; S532-S535 PolarHBondContact O-N 3.29Å; C533-S535 VanDerWaalsContact C-N 3.29Å; C533-S535 PolarHBondContact O-N 3.36Å; S535-S539 WeakPolarHBondContact O-CB 3.33Å; S535-S539 PolarHBondContact O-N 2.97Å; S535-S539 VanDerWaalsContact O-N 3.16Å
536	L	95.9	Very high	89.9	Confident	34 Å²	34	35.1 Å²	35.1	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-48.7	176.7	178.6	60.5	0	0	0	111.7	F364 V370 S532 C533 V534 S539 I540 V559 L637	F364-L536 HydrophobicContact CE2-CD1 4.13Å; F364-L536 HydrophobicContact CZ-CD1 3.96Å; V370-L536 HydrophobicContact CG2-CD1 4.29Å; S532-L536 PolarHBondContact O-N 2.95Å; C533-L536 WeakPolarHBondContact O-CB 3.48Å; C533-L536 PolarHBondContact O-N 3.09Å; C533-L536 VanDerWaalsContact O-N 3.11Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.48Å; L536-S539 WeakPolarHBondContact O-CB 3.21Å; L536-S539 PolarHBondContact O-N 2.9Å; L536-S539 PolarHBondContact O-OG 3.41Å; L536-I540 HydrophobicContact CD1-CD1 4.31Å; L536-I540 HydrophobicContact CG-CD1 4.22Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.44Å; L536-I540 VanDerWaalsContact O-N 3.16Å; L536-V559 HydrophobicContact CD2-CG2 4.14Å; L536-L637 HydrophobicContact CB-CD2 4.12Å; L536-L637 HydrophobicContact CD1-CD1 4.44Å
537	L	94.5	Very high	89.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-35.6	-179.2	-63.1	-170.8	0	0	0	112.2	P320 R323 C533 V534 S539 I540 D541 E555 V559	P320-L537 HydrophobicContact CB-CB 3.92Å; R323-L537 HydrophobicContact CB-CD1 3.56Å; C533-L537 WeakPolarHBondContact O-CG 3.47Å; C533-L537 PolarHBondContact O-N 3.09Å; V534-L537 PolarHBondContact O-N 3.39Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.91Å; L537-I540 HydrophobicContact CD2-CD1 4.31Å; L537-I540 PolarHBondContact O-N 2.76Å; L537-D541 PolarHBondContact O-N 3.01Å; L537-E555 HydrophobicContact CD2-CG 3.73Å; L537-V559 HydrophobicContact CD2-CG1 4.32Å; L537-V559 HydrophobicContact CD2-CG2 4.11Å
538	D	94.3	Very high	88.7	Confident	68 Å²	68	39.7 Å²	39.7	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-36.5	172.3	-168.2	66.2	0	0	0	111.5	P320 V534 I540 A542 W632	P320-D538 HydrophobicContact CB-CB 4.05Å; P320-D538 HydrophobicContact CG-CB 3.97Å; V534-D538 VanDerWaalsContact O-CB 3.24Å; V534-D538 WeakPolarHBondContact O-CB 3.35Å; V534-D538 PolarHBondContact O-N 3.14Å; D538-I540 VanDerWaalsContact C-N 3.3Å; D538-I540 PolarHBondContact O-N 2.96Å; D538-A542 VanDerWaalsContact O-CB 3.28Å; D538-A542 WeakPolarHBondContact O-CB 3.15Å; D538-A542 PolarHBondContact O-N 3.49Å; D538-W632 PolarHBondContact OD2-NE1 3.27Å
539	S	95.2	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-25.7	175.1	86.7	0	0	0	0	114.3	S535 L536 L537 W632	S535-S539 WeakPolarHBondContact O-CB 3.33Å; S535-S539 PolarHBondContact O-N 2.97Å; S535-S539 VanDerWaalsContact O-N 3.16Å; L536-S539 WeakPolarHBondContact O-CB 3.21Å; L536-S539 PolarHBondContact O-N 2.9Å; L536-S539 PolarHBondContact O-OG 3.41Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.91Å; S539-W632 VanDerWaalsContact CB-CD2 3.44Å
540	I	93.4	Very high	88.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-82.4	-47.6	177.1	-68.9	164	0	0	0	109.8	F364 V367 L536 L537 D538 A542 V543 V551 I554	F364-I540 HydrophobicContact CD2-CD1 4.24Å; F364-I540 HydrophobicContact CE2-CD1 3.93Å; F364-I540 HydrophobicContact CE2-CG1 4.21Å; V367-I540 HydrophobicContact CG2-CG2 4.12Å; L536-I540 HydrophobicContact CD1-CD1 4.31Å; L536-I540 HydrophobicContact CG-CD1 4.22Å; L536-I540 WeakPolarHBondContact O-CG1 3.43Å; L536-I540 PolarHBondContact O-N 3.44Å; L536-I540 VanDerWaalsContact O-N 3.16Å; L537-I540 HydrophobicContact CD2-CD1 4.31Å; L537-I540 PolarHBondContact O-N 2.76Å; D538-I540 VanDerWaalsContact C-N 3.3Å; D538-I540 PolarHBondContact O-N 2.96Å; I540-A542 VanDerWaalsContact C-N 3.25Å; I540-A542 PolarHBondContact O-N 2.85Å; I540-V543 PolarHBondContact O-N 3.32Å; I540-V551 HydrophobicContact CG2-CG1 4.28Å; I540-V551 HydrophobicContact CG2-CG2 3.93Å; I540-I554 HydrophobicContact CD1-CG2 4.07Å
541	D	90.9	Very high	87.9	Confident	70 Å²	70	44.6 Å²	44.6	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-34.1	177	-79.6	30.8	0	0	0	112.8	R323 L537 V543	R323-D541 IonicContact CZ-OD1 3.89Å; R323-D541 IonicContact CZ-OD2 2.83Å; R323-D541 IonicContact NH1-OD1 3.6Å; R323-D541 PolarHBondContact NH1-OD1 2.74Å; R323-D541 IonicContact NH1-OD2 2.78Å; R323-D541 IonicContact NH2-OD1 3.84Å; R323-D541 PolarHBondContact NH2-OD1 3.09Å; R323-D541 IonicContact NH2-OD2 3.73Å; R323-D541 PolarHBondContact NH2-OD2 2.88Å; L537-D541 PolarHBondContact O-N 3.01Å; D541-V543 PolarHBondContact O-N 3.45Å
542	A	89.9	Confident	87.7	Confident	55 Å²	55	40 Å²	40	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.6	-179.3	0	0	0	0	0	114	D538 I540 G544 W632	D538-A542 VanDerWaalsContact O-CB 3.28Å; D538-A542 WeakPolarHBondContact O-CB 3.15Å; D538-A542 PolarHBondContact O-N 3.49Å; I540-A542 VanDerWaalsContact C-N 3.25Å; I540-A542 PolarHBondContact O-N 2.85Å; A542-G544 VanDerWaalsContact C-N 3.3Å; A542-G544 PolarHBondContact O-N 3.4Å; A542-W632 HydrophobicContact CB-CH2 3.32Å; A542-W632 HydrophobicContact CB-CZ2 3.41Å; A542-W632 VanDerWaalsContact CB-CZ2 3.41Å; A542-W632 HydrophobicContact CB-CZ3 4.3Å
543	V	82	Confident	87.5	Confident	29 Å²	29	42.4 Å²	42.4	18%	0.176	29%	0.289	C	S	.	.	S	Bend	trans	-83.2	79.8	176.2	-173.5	0	0	0	0	109.4	V367 I540 D541 G545 A546 L616	V367-V543 HydrophobicContact CB-CG1 4.47Å; V367-V543 WeakPolarHBondContact O-CG2 3.34Å; I540-V543 PolarHBondContact O-N 3.32Å; D541-V543 PolarHBondContact O-N 3.45Å; V543-G545 PolarHBondContact O-N 3Å; V543-A546 PolarHBondContact O-N 2.98Å; V543-L616 HydrophobicContact CB-CD2 4.44Å; V543-L616 HydrophobicContact CG1-CD2 3.88Å; V543-L616 HydrophobicContact CG2-CD1 4.21Å; V543-L616 HydrophobicContact CG2-CD2 3.76Å
544	G	61.3	Low	87.4	Confident	84 Å²	84	42.2 Å²	42.2	87%	0.866	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	96.5	-178.6	0	0	0	0	0	112.8	A542	A542-G544 VanDerWaalsContact C-N 3.3Å; A542-G544 PolarHBondContact O-N 3.4Å
545	G	65.2	Low	87.4	Confident	77 Å²	77	40.8 Å²	40.8	79%	0.794	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	145	-18.7	-168.1	0	0	0	0	0	113	V543 D547	V543-G545 PolarHBondContact O-N 3Å; G545-D547 PolarHBondContact O-N 3.39Å
546	A	67.7	Low	87.2	Confident	28 Å²	28	47.3 Å²	47.3	23%	0.231	30%	0.299	C	S	.	.			trans	-60.2	117.7	170.4	0	0	0	0	0	111.2	V367 V543 V551	V367-A546 HydrophobicContact CB-CB 4.39Å; V367-A546 HydrophobicContact CG1-CB 3.91Å; V543-A546 PolarHBondContact O-N 2.98Å; A546-V551 HydrophobicContact CB-CG2 3.79Å
547	D	80	Confident	87	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	30%	0.3	S	S	.	.			trans	-64	136.4	173	153.6	44.7	0	0	0	110.5	G545 E549 A550 V551 R553	G545-D547 PolarHBondContact O-N 3.39Å; D547-E549 PolarHBondContact O-N 2.98Å; D547-E549 PolarHBondContact OD1-N 3.1Å; D547-E549 WeakPolarHBondContact OD2-CB 3.49Å; D547-A550 HydrophobicContact CB-CB 3.91Å; D547-A550 CarbonylContact O-C 3.57Å; D547-A550 WeakPolarHBondContact O-CA 3.31Å; D547-A550 VanDerWaalsContact O-CB 3.29Å; D547-A550 WeakPolarHBondContact O-CB 3.37Å; D547-A550 PolarHBondContact O-N 3.28Å; D547-A550 PolarHBondContact OD2-N 3.03Å; D547-V551 WeakPolarHBondContact O-CG2 3.47Å; D547-V551 PolarHBondContact O-N 3.42Å; D547-R553 IonicContact OD2-NH2 3.24Å; D547-R553 PolarHBondContact OD2-NH2 3.19Å
548	A	85.7	Confident	86.9	Confident	76 Å²	76	50 Å²	50	63%	0.628	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-29.2	180	0	0	0	0	0	112.9	G552	A548-G552 PolarHBondContact O-N 3.26Å
549	E	88.3	Confident	86.9	Confident	124 Å²	124	47.2 Å²	47.2	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-70.9	-39.4	171.4	-148.7	-146.8	148.2	0	0	110.9	D547 G552 R553	D547-E549 PolarHBondContact O-N 2.98Å; D547-E549 PolarHBondContact OD1-N 3.1Å; D547-E549 WeakPolarHBondContact OD2-CB 3.49Å; E549-G552 PolarHBondContact O-N 2.96Å; E549-R553 WeakPolarHBondContact O-CG 3.48Å; E549-R553 PolarHBondContact O-N 2.99Å; E549-R553 PolarHBondContact O-NE 3.25Å; E549-R553 IonicContact OE1-CZ 2.72Å; E549-R553 IonicContact OE1-NH1 2.64Å; E549-R553 PolarHBondContact OE1-NH1 3.1Å; E549-R553 IonicContact OE2-CZ 2.98Å; E549-R553 IonicContact OE2-NH1 3.84Å; E549-R553 PolarHBondContact OE2-NH1 2.91Å; E549-R553 IonicContact OE2-NH2 3.81Å
550	A	89.9	Confident	86.8	Confident	12 Å²	12	49.5 Å²	49.5	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-48.5	173.5	0	0	0	0	0	112.2	A363 D547 G552 R553 I554	A363-A550 HydrophobicContact CB-CB 4.13Å; D547-A550 HydrophobicContact CB-CB 3.91Å; D547-A550 CarbonylContact O-C 3.57Å; D547-A550 WeakPolarHBondContact O-CA 3.31Å; D547-A550 VanDerWaalsContact O-CB 3.29Å; D547-A550 WeakPolarHBondContact O-CB 3.37Å; D547-A550 PolarHBondContact O-N 3.28Å; D547-A550 PolarHBondContact OD2-N 3.03Å; A550-G552 VanDerWaalsContact C-N 3.34Å; A550-G552 PolarHBondContact O-N 3.44Å; A550-R553 VanDerWaalsContact CA-NH2 3.27Å; A550-R553 WeakPolarHBondContact O-CB 3.49Å; A550-R553 PolarHBondContact O-N 3.1Å; A550-R553 VanDerWaalsContact O-N 3.16Å; A550-I554 VanDerWaalsContact O-CG1 3.26Å; A550-I554 WeakPolarHBondContact O-CG1 3.38Å; A550-I554 PolarHBondContact O-N 2.95Å
551	V	92.1	Very high	86.7	Confident	12 Å²	12	52 Å²	52	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-57.9	-46.7	174.3	176.2	0	0	0	0	110.7	I540 A546 D547 R553 I554 E555	I540-V551 HydrophobicContact CG2-CG1 4.28Å; I540-V551 HydrophobicContact CG2-CG2 3.93Å; A546-V551 HydrophobicContact CB-CG2 3.79Å; D547-V551 WeakPolarHBondContact O-CG2 3.47Å; D547-V551 PolarHBondContact O-N 3.42Å; V551-R553 VanDerWaalsContact C-N 3.32Å; V551-R553 PolarHBondContact O-N 3.33Å; V551-I554 PolarHBondContact O-N 2.87Å; V551-E555 WeakPolarHBondContact CG1-OE1 3.3Å; V551-E555 WeakPolarHBondContact O-CG 3.22Å; V551-E555 PolarHBondContact O-N 3.38Å
552	G	91.6	Very high	86.7	Confident	18 Å²	18	51.2 Å²	51.2	19%	0.186	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-34.7	175.8	0	0	0	0	0	114.5	A548 E549 A550 R556	A548-G552 PolarHBondContact O-N 3.26Å; E549-G552 PolarHBondContact O-N 2.96Å; A550-G552 VanDerWaalsContact C-N 3.34Å; A550-G552 PolarHBondContact O-N 3.44Å; G552-R556 WeakPolarHBondContact O-CB 3.37Å; G552-R556 PolarHBondContact O-N 3.33Å; G552-R556 VanDerWaalsContact O-N 3.1Å
553	R	91.9	Very high	86.9	Confident	65 Å²	65	48.8 Å²	48.8	25%	0.245	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-47	172.3	-73.5	177.3	-66	-121.4	-4.8	111.4	A360 D547 E549 A550 V551 E555 R556 F557	A360-R553 HydrophobicContact CB-CB 4.14Å; A360-R553 VanDerWaalsContact CB-O 3.31Å; A360-R553 WeakPolarHBondContact CB-O 3.39Å; D547-R553 IonicContact OD2-NH2 3.24Å; D547-R553 PolarHBondContact OD2-NH2 3.19Å; E549-R553 WeakPolarHBondContact O-CG 3.48Å; E549-R553 PolarHBondContact O-N 2.99Å; E549-R553 PolarHBondContact O-NE 3.25Å; E549-R553 IonicContact OE1-CZ 2.72Å; E549-R553 IonicContact OE1-NH1 2.64Å; E549-R553 PolarHBondContact OE1-NH1 3.1Å; E549-R553 IonicContact OE2-CZ 2.98Å; E549-R553 IonicContact OE2-NH1 3.84Å; E549-R553 PolarHBondContact OE2-NH1 2.91Å; E549-R553 IonicContact OE2-NH2 3.81Å; A550-R553 VanDerWaalsContact CA-NH2 3.27Å; A550-R553 WeakPolarHBondContact O-CB 3.49Å; A550-R553 PolarHBondContact O-N 3.1Å; A550-R553 VanDerWaalsContact O-N 3.16Å; V551-R553 VanDerWaalsContact C-N 3.32Å; V551-R553 PolarHBondContact O-N 3.33Å; R553-E555 PolarHBondContact O-N 2.83Å; R553-R556 PolarHBondContact O-N 3.22Å; R553-F557 WeakPolarHBondContact O-CD2 3.4Å; R553-F557 PolarHBondContact O-N 3.07Å
554	I	94.4	Very high	87.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-49.2	178	-62.1	162.1	0	0	0	110.5	A363 F364 V367 I540 A550 V551 M558 V559	A363-I554 HydrophobicContact CB-CD1 3.98Å; A363-I554 HydrophobicContact CB-CG1 3.87Å; F364-I554 HydrophobicContact CB-CD1 4.21Å; F364-I554 HydrophobicContact CB-CG1 3.96Å; F364-I554 HydrophobicContact CB-CG2 3.99Å; F364-I554 HydrophobicContact CD2-CG2 3.86Å; F364-I554 HydrophobicContact CG-CG2 3.94Å; V367-I554 HydrophobicContact CG2-CD1 3.63Å; I540-I554 HydrophobicContact CD1-CG2 4.07Å; A550-I554 VanDerWaalsContact O-CG1 3.26Å; A550-I554 WeakPolarHBondContact O-CG1 3.38Å; A550-I554 PolarHBondContact O-N 2.95Å; V551-I554 PolarHBondContact O-N 2.87Å; I554-M558 WeakPolarHBondContact O-CA 3.25Å; I554-M558 WeakPolarHBondContact O-CB 3.48Å; I554-M558 PolarHBondContact O-N 2.66Å; I554-V559 HydrophobicContact CG2-CG2 4.49Å; I554-V559 PolarHBondContact O-N 2.91Å
555	E	94.4	Very high	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-61.1	-49.7	179.8	-74.5	177.2	-150.6	0	0	112.1	R323 Y327 L537 V551 R553 V559 Q560	R323-E555 WeakPolarHBondContact CD-OE1 3.42Å; R323-E555 WeakPolarHBondContact CD-OE2 3.48Å; R323-E555 IonicContact CZ-OE1 2.73Å; R323-E555 IonicContact NE-OE1 2.79Å; R323-E555 IonicContact NH1-OE1 2.78Å; R323-E555 PolarHBondContact NH1-OE1 2.67Å; Y327-E555 HydrophobicContact CE2-CB 4.09Å; Y327-E555 HydrophobicContact CE2-CG 4.32Å; Y327-E555 WeakPolarHBondContact CE2-OE2 3.28Å; Y327-E555 WeakPolarHBondContact OH-CB 3.24Å; Y327-E555 PolarHBondContact OH-OE2 3.07Å; L537-E555 HydrophobicContact CD2-CG 3.73Å; V551-E555 WeakPolarHBondContact CG1-OE1 3.3Å; V551-E555 WeakPolarHBondContact O-CG 3.22Å; V551-E555 PolarHBondContact O-N 3.38Å; R553-E555 PolarHBondContact O-N 2.83Å; E555-V559 PolarHBondContact O-N 3.3Å; E555-Q560 WeakPolarHBondContact O-CB 3.4Å; E555-Q560 PolarHBondContact O-N 3.44Å
556	R	92.2	Very high	90	Very high	161 Å²	161	48.2 Å²	48.2	61%	0.608	25%	0.245	S	C	*	.	I	π-helix	trans	-68.4	-38	-175.6	-177	172.8	178.6	139.6	2	113.9	G552 R553 P561	G552-R556 WeakPolarHBondContact O-CB 3.37Å; G552-R556 PolarHBondContact O-N 3.33Å; G552-R556 VanDerWaalsContact O-N 3.1Å; R553-R556 PolarHBondContact O-N 3.22Å; R556-P561 WeakPolarHBondContact O-CD 3.31Å
557	F	92.1	Very high	91.2	Very high	41 Å²	41	46.9 Å²	46.9	18%	0.18	23%	0.234	C	C	.	.	I	π-helix	trans	-105.9	-6.6	-171.9	-65	-78.1	0	0	0	114.5	L356 A360 R553	L356-F557 HydrophobicContact CB-CD1 4.28Å; L356-F557 HydrophobicContact CB-CD2 4.19Å; L356-F557 HydrophobicContact CB-CE1 3.91Å; L356-F557 HydrophobicContact CB-CE2 3.82Å; L356-F557 HydrophobicContact CB-CG 4.43Å; L356-F557 HydrophobicContact CB-CZ 3.69Å; L356-F557 HydrophobicContact CD1-CE1 4.15Å; L356-F557 HydrophobicContact CD1-CE2 3.91Å; L356-F557 HydrophobicContact CD1-CZ 3.41Å; L356-F557 VanDerWaalsContact CD1-CZ 3.41Å; L356-F557 HydrophobicContact CG-CE2 4.42Å; L356-F557 HydrophobicContact CG-CZ 4.19Å; A360-F557 HydrophobicContact CB-CB 3.71Å; A360-F557 HydrophobicContact CB-CD2 4.45Å; A360-F557 HydrophobicContact CB-CG 4.48Å; R553-F557 WeakPolarHBondContact O-CD2 3.4Å; R553-F557 PolarHBondContact O-N 3.07Å
558	M	92.4	Very high	91.8	Very high	50 Å²	50	43.6 Å²	43.6	25%	0.246	22%	0.217	C	C	.	.	I	π-helix	trans	-128.1	-49.8	175.7	-54.6	-168.8	72.4	0	0	113.5	A360 Y361 F364 L371 I554 D562	A360-M558 HydrophobicContact CB-CG 4.36Å; Y361-M558 HydrophobicContact CD2-CE 3.84Å; F364-M558 HydrophobicContact CB-SD 3.83Å; F364-M558 HydrophobicContact CD1-CE 3.73Å; F364-M558 HydrophobicContact CD1-SD 3.67Å; F364-M558 HydrophobicContact CE1-CE 4.34Å; F364-M558 HydrophobicContact CG-SD 4.14Å; L371-M558 HydrophobicContact CD2-CE 4.37Å; I554-M558 WeakPolarHBondContact O-CA 3.25Å; I554-M558 WeakPolarHBondContact O-CB 3.48Å; I554-M558 PolarHBondContact O-N 2.66Å; M558-D562 PolarHBondContact O-N 3.43Å
559	V	94.2	Very high	92	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.048	20%	0.195	C	C	.	.	I	π-helix	trans	-74.3	-49.6	-175.1	-173.8	0	0	0	0	111.6	L536 L537 I554 E555 D562 V563	L536-V559 HydrophobicContact CD2-CG2 4.14Å; L537-V559 HydrophobicContact CD2-CG1 4.32Å; L537-V559 HydrophobicContact CD2-CG2 4.11Å; I554-V559 HydrophobicContact CG2-CG2 4.49Å; I554-V559 PolarHBondContact O-N 2.91Å; E555-V559 PolarHBondContact O-N 3.3Å; V559-D562 PolarHBondContact O-N 2.95Å; V559-V563 HydrophobicContact CG1-CG2 4.18Å; V559-V563 WeakPolarHBondContact O-CG2 3.33Å; V559-V563 PolarHBondContact O-N 3.5Å
560	Q	93.4	Very high	92.1	Very high	48 Å²	48	35.7 Å²	35.7	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-48.6	179.7	176.6	176.2	-6.4	0	0	112.5	Y327 E555 D562 V563 E564	Y327-Q560 HydrophobicContact CD1-CB 3.61Å; Y327-Q560 HydrophobicContact CD1-CG 3.8Å; Y327-Q560 HydrophobicContact CE1-CB 3.75Å; Y327-Q560 HydrophobicContact CE1-CG 4.12Å; Y327-Q560 HydrophobicContact CG-CB 4.47Å; E555-Q560 WeakPolarHBondContact O-CB 3.4Å; E555-Q560 PolarHBondContact O-N 3.44Å; Q560-D562 VanDerWaalsContact C-N 3.31Å; Q560-D562 PolarHBondContact O-N 3.4Å; Q560-V563 PolarHBondContact O-N 2.95Å; Q560-E564 HydrophobicContact CG-CG 4.33Å; Q560-E564 VanDerWaalsContact CG-OE1 3.25Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.37Å; Q560-E564 PolarHBondContact NE2-OE1 3.48Å; Q560-E564 WeakPolarHBondContact O-CB 3.36Å; Q560-E564 WeakPolarHBondContact O-CG 3.21Å; Q560-E564 PolarHBondContact O-N 2.9Å
561	P	91	Very high	92.3	Very high	55 Å²	55	36.2 Å²	36.2	36%	0.357	17%	0.169	S	C	.	.	H	α-helix	trans	-63.7	-31	178.2	-24.7	36.3	0	0	0	114.2	R556 R565	R556-P561 WeakPolarHBondContact O-CD 3.31Å; P561-R565 WeakPolarHBondContact O-CB 3.41Å; P561-R565 PolarHBondContact O-N 3.15Å
562	D	91.3	Very high	92.1	Very high	52 Å²	52	41.4 Å²	41.4	28%	0.278	19%	0.188	S	C	.	.	H	α-helix	trans	-71	-48.5	173.8	-178.8	85.9	0	0	0	111.6	M558 V559 Q560 E564 R565 R566	M558-D562 PolarHBondContact O-N 3.43Å; V559-D562 PolarHBondContact O-N 2.95Å; Q560-D562 VanDerWaalsContact C-N 3.31Å; Q560-D562 PolarHBondContact O-N 3.4Å; D562-E564 PolarHBondContact O-N 3.22Å; D562-R565 PolarHBondContact O-N 3.36Å; D562-R566 WeakPolarHBondContact O-CB 3.08Å; D562-R566 PolarHBondContact O-N 3.44Å; D562-R566 IonicContact OD1-NH2 3.73Å; D562-R566 IonicContact OD2-CZ 2.66Å; D562-R566 IonicContact OD2-NE 3.77Å; D562-R566 PolarHBondContact OD2-NE 2.7Å; D562-R566 IonicContact OD2-NH2 3.66Å; D562-R566 PolarHBondContact OD2-NH2 3.2Å
563	V	93.8	Very high	91.9	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-45.9	178	170.6	0	0	0	0	111.1	F328 A331 V559 Q560 R566 V567	F328-V563 HydrophobicContact CD1-CG1 4.28Å; F328-V563 HydrophobicContact CD2-CG1 3.51Å; F328-V563 HydrophobicContact CD2-CG2 4.32Å; F328-V563 HydrophobicContact CE1-CG1 4.2Å; F328-V563 HydrophobicContact CE2-CB 4.16Å; F328-V563 HydrophobicContact CE2-CG1 3.41Å; F328-V563 VanDerWaalsContact CE2-CG1 3.41Å; F328-V563 HydrophobicContact CE2-CG2 3.58Å; F328-V563 HydrophobicContact CG-CG1 3.95Å; F328-V563 HydrophobicContact CZ-CG1 3.77Å; F328-V563 HydrophobicContact CZ-CG2 4.08Å; A331-V563 HydrophobicContact CB-CG1 3.86Å; V559-V563 HydrophobicContact CG1-CG2 4.18Å; V559-V563 WeakPolarHBondContact O-CG2 3.33Å; V559-V563 PolarHBondContact O-N 3.5Å; Q560-V563 PolarHBondContact O-N 2.95Å; V563-R566 PolarHBondContact O-N 2.95Å; V563-V567 HydrophobicContact CG1-CG2 4.47Å; V563-V567 WeakPolarHBondContact O-CB 3.46Å; V563-V567 WeakPolarHBondContact O-CG2 3.45Å; V563-V567 PolarHBondContact O-N 3.43Å
564	E	92.8	Very high	91.7	Very high	44 Å²	44	41.6 Å²	41.6	21%	0.206	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-52	174.3	-73.5	-179.1	-163.8	0	0	111.8	A331 Q560 D562 R566 V567 V568	A331-E564 HydrophobicContact CB-CB 4.44Å; A331-E564 HydrophobicContact CB-CG 3.94Å; Q560-E564 HydrophobicContact CG-CG 4.33Å; Q560-E564 VanDerWaalsContact CG-OE1 3.25Å; Q560-E564 WeakPolarHBondContact CG-OE1 3.37Å; Q560-E564 PolarHBondContact NE2-OE1 3.48Å; Q560-E564 WeakPolarHBondContact O-CB 3.36Å; Q560-E564 WeakPolarHBondContact O-CG 3.21Å; Q560-E564 PolarHBondContact O-N 2.9Å; D562-E564 PolarHBondContact O-N 3.22Å; E564-R566 VanDerWaalsContact C-N 3.25Å; E564-R566 PolarHBondContact O-N 2.9Å; E564-V567 PolarHBondContact O-N 3.39Å; E564-V568 VanDerWaalsContact O-CB 3.24Å; E564-V568 WeakPolarHBondContact O-CB 3.45Å; E564-V568 WeakPolarHBondContact O-CG2 3.42Å; E564-V568 PolarHBondContact O-N 3.11Å
565	R	89.8	Confident	91.4	Very high	115 Å²	115	45.3 Å²	45.3	43%	0.434	22%	0.224	S	C	.	.	H	α-helix	trans	-55.1	-41.8	178	-176.8	-164.4	-62.1	-169.5	0.2	111.6	A488 P561 D562 S569	A488-R565 HydrophobicContact CB-CG 3.87Å; P561-R565 WeakPolarHBondContact O-CB 3.41Å; P561-R565 PolarHBondContact O-N 3.15Å; D562-R565 PolarHBondContact O-N 3.36Å; R565-S569 WeakPolarHBondContact O-CB 3.48Å; R565-S569 PolarHBondContact O-N 3.16Å; R565-S569 VanDerWaalsContact O-N 3.16Å; R565-S569 PolarHBondContact O-OG 3.16Å
566	R	91	Very high	90.8	Very high	20 Å²	20	47 Å²	47	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-71.5	-52.3	-176.1	-160.7	-167.2	-61.6	-110.3	-3.8	111.8	R513 D516 D562 V563 E564 R570	R513-R566 VanDerWaalsContact O-CZ 3.28Å; R513-R566 PolarHBondContact O-NH1 3.43Å; R513-R566 PolarHBondContact O-NH2 2.91Å; D516-R566 VanDerWaalsContact OD2-CG 3.3Å; D516-R566 WeakPolarHBondContact OD2-CG 3.26Å; D516-R566 IonicContact OD2-NH1 2.69Å; D562-R566 WeakPolarHBondContact O-CB 3.08Å; D562-R566 PolarHBondContact O-N 3.44Å; D562-R566 IonicContact OD1-NH2 3.73Å; D562-R566 IonicContact OD2-CZ 2.66Å; D562-R566 IonicContact OD2-NE 3.77Å; D562-R566 PolarHBondContact OD2-NE 2.7Å; D562-R566 IonicContact OD2-NH2 3.66Å; D562-R566 PolarHBondContact OD2-NH2 3.2Å; V563-R566 PolarHBondContact O-N 2.95Å; E564-R566 VanDerWaalsContact C-N 3.25Å; E564-R566 PolarHBondContact O-N 2.9Å; R566-R570 WeakPolarHBondContact O-CB 3.34Å; R566-R570 PolarHBondContact O-N 3.25Å
567	V	93.7	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67	-45.2	-178.8	173.1	0	0	0	0	111.3	F328 A331 A335 F522 L526 V563 E564 S569 R570 H571	F328-V567 HydrophobicContact CD1-CG2 3.91Å; F328-V567 HydrophobicContact CE1-CG2 3.77Å; A331-V567 HydrophobicContact CB-CB 3.91Å; A331-V567 HydrophobicContact CB-CG1 4.21Å; A331-V567 HydrophobicContact CB-CG2 4.1Å; A335-V567 HydrophobicContact CB-CG1 4.24Å; F522-V567 HydrophobicContact CE2-CG1 4.29Å; F522-V567 HydrophobicContact CZ-CG1 4.18Å; L526-V567 HydrophobicContact CD1-CG1 4.05Å; L526-V567 HydrophobicContact CD1-CG2 4.46Å; V563-V567 HydrophobicContact CG1-CG2 4.47Å; V563-V567 WeakPolarHBondContact O-CB 3.46Å; V563-V567 WeakPolarHBondContact O-CG2 3.45Å; V563-V567 PolarHBondContact O-N 3.43Å; E564-V567 PolarHBondContact O-N 3.39Å; V567-S569 PolarHBondContact O-N 3.38Å; V567-R570 PolarHBondContact O-N 3.42Å; V567-H571 VanDerWaalsContact O-CB 3.29Å; V567-H571 WeakPolarHBondContact O-CB 3.31Å; V567-H571 PolarHBondContact O-N 3.49Å
568	V	92.1	Very high	88.8	Confident	10 Å²	10	50.7 Å²	50.7	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-43.1	178.9	174.6	0	0	0	0	111.1	V334 A335 L343 E564 R572	V334-V568 HydrophobicContact CB-CG2 4.26Å; V334-V568 HydrophobicContact CG1-CG2 3.8Å; A335-V568 HydrophobicContact CB-CG2 4.02Å; L343-V568 HydrophobicContact CD1-CG1 4.4Å; E564-V568 VanDerWaalsContact O-CB 3.24Å; E564-V568 WeakPolarHBondContact O-CB 3.45Å; E564-V568 WeakPolarHBondContact O-CG2 3.42Å; E564-V568 PolarHBondContact O-N 3.11Å; V568-R572 WeakPolarHBondContact O-CB 3.41Å; V568-R572 PolarHBondContact O-N 3.33Å
569	S	89.5	Confident	88	Confident	23 Å²	23	56 Å²	56	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-44.2	177	-60.3	0	0	0	0	112.3	R565 V567 R572 A573	R565-S569 WeakPolarHBondContact O-CB 3.48Å; R565-S569 PolarHBondContact O-N 3.16Å; R565-S569 VanDerWaalsContact O-N 3.16Å; R565-S569 PolarHBondContact O-OG 3.16Å; V567-S569 PolarHBondContact O-N 3.38Å; S569-R572 PolarHBondContact O-N 3.04Å; S569-A573 WeakPolarHBondContact O-CB 3.29Å; S569-A573 PolarHBondContact O-N 3.28Å
570	R	91.6	Very high	87.4	Confident	11 Å²	11	61 Å²	61	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-39.8	177.6	-172.4	74	-164.7	76.4	-5.1	111.9	T518 L520 F522 H525 R566 V567 A573 A574	T518-R570 PolarHBondContact O-NE 2.67Å; L520-R570 PolarHBondContact O-NE 3.33Å; L520-R570 PolarHBondContact O-NH2 3.18Å; F522-R570 HydrophobicContact CD2-CB 4.26Å; F522-R570 HydrophobicContact CD2-CG 3.89Å; F522-R570 HydrophobicContact CE2-CB 4.45Å; H525-R570 HydrophobicContact CB-CG 4.19Å; H525-R570 WeakPolarHBondContact ND1-CG 3.34Å; R566-R570 WeakPolarHBondContact O-CB 3.34Å; R566-R570 PolarHBondContact O-N 3.25Å; V567-R570 PolarHBondContact O-N 3.42Å; R570-A573 CarbonylContact O-C 3.59Å; R570-A573 PolarHBondContact O-N 3.34Å; R570-A574 WeakPolarHBondContact O-CB 3.37Å; R570-A574 PolarHBondContact O-N 3.44Å
571	H	92.1	Very high	86.8	Confident	22 Å²	22	62.9 Å²	62.9	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-50.1	175.6	-177.5	-116	0	0	0	111	A335 F522 V567 A573 A574 V575	A335-H571 HydrophobicContact CB-CB 3.85Å; A335-H571 PolarHBondContact O-CE1 3.39Å; A335-H571 PolarHBondContact O-ND1 3.15Å; F522-H571 HydrophobicContact CD2-CB 4.27Å; F522-H571 AromaticContact CE1-CD2 3.74Å; F522-H571 HydrophobicContact CE2-CB 3.58Å; F522-H571 HydrophobicContact CZ-CB 3.72Å; F522-H571 AromaticContact CZ-CD2 3.79Å; V567-H571 VanDerWaalsContact O-CB 3.29Å; V567-H571 WeakPolarHBondContact O-CB 3.31Å; V567-H571 PolarHBondContact O-N 3.49Å; H571-A573 PolarHBondContact O-N 3.15Å; H571-A574 WeakPolarHBondContact O-CA 3.48Å; H571-A574 WeakPolarHBondContact O-CB 3.46Å; H571-A574 PolarHBondContact O-N 2.74Å; H571-V575 PolarHBondContact O-N 3.33Å
572	R	88.7	Confident	86.6	Confident	122 Å²	122	61.6 Å²	61.6	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-56.6	-36.3	175.6	-172.2	-178.2	-67.2	125.3	-0.4	112.3	V568 S569	V568-R572 WeakPolarHBondContact O-CB 3.41Å; V568-R572 PolarHBondContact O-N 3.33Å; S569-R572 PolarHBondContact O-N 3.04Å
573	A	86.8	Confident	86.5	Confident	45 Å²	45	64 Å²	64	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-77	-19.4	174.9	0	0	0	0	0	114.2	S569 R570 H571	S569-A573 WeakPolarHBondContact O-CB 3.29Å; S569-A573 PolarHBondContact O-N 3.28Å; R570-A573 CarbonylContact O-C 3.59Å; R570-A573 PolarHBondContact O-N 3.34Å; H571-A573 PolarHBondContact O-N 3.15Å
574	A	88.3	Confident	86.4	Confident	41 Å²	41	65.8 Å²	65.8	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-84.9	-39.5	176.7	0	0	0	0	0	112.5	F522 R570 H571 A576	F522-A574 HydrophobicContact CB-CB 3.85Å; F522-A574 HydrophobicContact CG-CB 4.33Å; R570-A574 WeakPolarHBondContact O-CB 3.37Å; R570-A574 PolarHBondContact O-N 3.44Å; H571-A574 WeakPolarHBondContact O-CA 3.48Å; H571-A574 WeakPolarHBondContact O-CB 3.46Å; H571-A574 PolarHBondContact O-N 2.74Å; A574-A576 PolarHBondContact O-N 2.91Å
575	V	87.4	Confident	86.3	Confident	79 Å²	79	64.4 Å²	64.4	48%	0.479	36%	0.355	S	S	.	.	S	Bend	trans	-79.6	-1.6	176.9	-55.1	0	0	0	0	113.5	H571 V577	H571-V575 PolarHBondContact O-N 3.33Å; V575-V577 PolarHBondContact O-N 3.26Å
576	A	83.5	Confident	86.4	Confident	37 Å²	37	62.3 Å²	62.3	31%	0.306	35%	0.347	S	S	.	.			trans	-75.4	87.8	174.5	0	0	0	0	0	110.2	A574 K579	A574-A576 PolarHBondContact O-N 2.91Å; A576-K579 PolarHBondContact O-N 3.39Å
577	V	67.4	Low	86.5	Confident	117 Å²	117	64.2 Å²	64.2	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	149.1	178.3	-166	0	0	0	0	111.4	V575 K579	V575-V577 PolarHBondContact O-N 3.26Å; V577-K579 VanDerWaalsContact C-N 3.26Å; V577-K579 PolarHBondContact O-N 3.39Å
578	D	73.6	Confident	86.5	Confident	162 Å²	162	65.7 Å²	65.7	87%	0.866	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	10.6	-180	-51.3	-45	0	0	0	116.7
579	K	76	Confident	86.7	Confident	162 Å²	162	65.2 Å²	65.2	70%	0.704	37%	0.367	S	S	*	.			trans	-108.8	130.1	173.5	-65.5	-172.2	179.4	-179.7	0	112.6	A576 V577	A576-K579 PolarHBondContact O-N 3.39Å; V577-K579 VanDerWaalsContact C-N 3.26Å; V577-K579 PolarHBondContact O-N 3.39Å
580	P	80.8	Confident	86.9	Confident	111 Å²	111	66.7 Å²	66.7	72%	0.721	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-68.3	160.3	172.2	30.6	-35.2	0	0	0	110.9
581	P	82.1	Confident	87.1	Confident	88 Å²	88	70.5 Å²	70.5	57%	0.571	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-52.3	136.3	171.9	-25.7	34.7	0	0	0	111.2
582	P	86.3	Confident	87.2	Confident	28 Å²	28	71.5 Å²	71.5	18%	0.182	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-69	142.8	-175.1	29.5	-35.2	0	0	0	110.8	V490 T518 E519	V490-P582 HydrophobicContact CG1-CB 3.42Å; V490-P582 VanDerWaalsContact CG1-CB 3.42Å; V490-P582 HydrophobicContact CG1-CG 3.93Å; T518-P582 VanDerWaalsContact O-CG 3.32Å; T518-P582 WeakPolarHBondContact O-CG 3.24Å; E519-P582 WeakPolarHBondContact CA-O 3.48Å; E519-P582 VanDerWaalsContact CB-O 3.26Å; E519-P582 WeakPolarHBondContact CB-O 3.4Å
583	L	90.1	Very high	87.6	Confident	103 Å²	103	67.6 Å²	67.6	54%	0.539	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-59.1	149.5	173.5	-63.4	177.2	0	0	0	110.7	W585 T587 V588	L583-W585 PolarHBondContact O-N 2.78Å; L583-T587 HydrophobicContact CD1-CG2 4.45Å; L583-V588 HydrophobicContact CB-CG2 3.9Å
584	P	91.2	Very high	88	Confident	41 Å²	41	65.6 Å²	65.6	27%	0.266	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-53.4	136.9	172.6	-22.4	31.3	0	0	0	110.5	E519 R586 T587 V588	E519-P584 HydrophobicContact CB-CG 4.12Å; E519-P584 HydrophobicContact CG-CG 3.99Å; P584-R586 PolarHBondContact O-N 3.14Å; P584-R586 VanDerWaalsContact O-N 3.08Å; P584-T587 WeakPolarHBondContact O-CA 3.42Å; P584-T587 VanDerWaalsContact O-CB 3.25Å; P584-T587 WeakPolarHBondContact O-CB 3.19Å; P584-T587 PolarHBondContact O-N 3.36Å; P584-V588 PolarHBondContact O-N 2.98Å; P584-V588 VanDerWaalsContact O-N 3.07Å
585	W	90.9	Very high	88.4	Confident	16 Å²	16	67.7 Å²	67.7	6%	0.061	41%	0.41	C	S	.	.	H	α-helix	trans	-56.9	-33.3	-172.8	67.1	-99.8	0	0	0	113.4	V485 D512 L583 T587 V588 L589 W643	V485-W585 HydrophobicContact CB-CB 4.44Å; V485-W585 HydrophobicContact CB-CD2 3.75Å; V485-W585 HydrophobicContact CB-CE3 3.98Å; V485-W585 HydrophobicContact CB-CG 3.97Å; V485-W585 HydrophobicContact CB-CZ3 4.46Å; V485-W585 HydrophobicContact CG1-CD2 3.92Å; V485-W585 HydrophobicContact CG1-CE3 3.59Å; V485-W585 HydrophobicContact CG1-CG 4.41Å; V485-W585 HydrophobicContact CG1-CZ3 3.95Å; V485-W585 HydrophobicContact CG2-CD2 3.88Å; V485-W585 HydrophobicContact CG2-CE3 4.17Å; V485-W585 HydrophobicContact CG2-CG 4.42Å; V485-W585 HydrophobicContact CG2-CH2 4.07Å; V485-W585 HydrophobicContact CG2-CZ2 3.81Å; V485-W585 HydrophobicContact CG2-CZ3 4.26Å; D512-W585 HydrophobicContact CB-CZ2 3.63Å; D512-W585 PolarHBondContact OD2-NE1 2.67Å; L583-W585 PolarHBondContact O-N 2.78Å; W585-T587 VanDerWaalsContact C-N 3.34Å; W585-T587 PolarHBondContact O-N 3.43Å; W585-V588 PolarHBondContact O-N 3.34Å; W585-L589 HydrophobicContact CE3-CD1 3.63Å; W585-L589 HydrophobicContact CZ3-CD1 3.63Å; W585-L589 PolarHBondContact O-N 3.41Å; W585-L589 VanDerWaalsContact O-N 3.12Å; W585-W643 HydrophobicContact CZ3-CZ2 4.28Å
586	R	92.3	Very high	88.8	Confident	70 Å²	70	66.9 Å²	66.9	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-36.7	173	-61.3	-173.6	172.9	-77.1	-3.6	112.6	P584 A590 S639 S641 W643	P584-R586 PolarHBondContact O-N 3.14Å; P584-R586 VanDerWaalsContact O-N 3.08Å; R586-A590 PolarHBondContact O-N 2.91Å; R586-S639 PolarHBondContact NH2-OG 2.97Å; R586-S641 VanDerWaalsContact NH1-CB 3.28Å; R586-S641 PolarHBondContact NH1-OG 3.04Å; R586-S641 PolarHBondContact NH2-OG 3.31Å; R586-W643 HydrophobicContact CB-CH2 3.95Å; R586-W643 HydrophobicContact CB-CZ2 4.01Å; R586-W643 HydrophobicContact CG-CZ2 4.07Å; R586-W643 VanDerWaalsContact O-CH2 3.32Å; R586-W643 WeakPolarHBondContact O-CH2 3.35Å
587	T	93.1	Very high	89.5	Confident	61 Å²	61	66.1 Å²	66.1	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-70.2	-38.7	173.7	-53.1	0	0	0	0	111	L583 P584 W585 L589 A590 S591	L583-T587 HydrophobicContact CD1-CG2 4.45Å; P584-T587 WeakPolarHBondContact O-CA 3.42Å; P584-T587 VanDerWaalsContact O-CB 3.25Å; P584-T587 WeakPolarHBondContact O-CB 3.19Å; P584-T587 PolarHBondContact O-N 3.36Å; W585-T587 VanDerWaalsContact C-N 3.34Å; W585-T587 PolarHBondContact O-N 3.43Å; T587-L589 PolarHBondContact O-N 3.16Å; T587-A590 PolarHBondContact O-N 3.12Å; T587-S591 WeakPolarHBondContact O-CB 3.39Å; T587-S591 PolarHBondContact O-N 3.02Å; T587-S591 PolarHBondContact O-OG 3.39Å; T587-S591 VanDerWaalsContact O-OG 3.13Å
588	V	93.6	Very high	90.8	Very high	31 Å²	31	67 Å²	67	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176.8	-178.2	0	0	0	0	111.6	M493 L497 L583 P584 W585 A592	M493-V588 HydrophobicContact CB-CG1 4.42Å; M493-V588 HydrophobicContact CG-CG1 3.93Å; L497-V588 HydrophobicContact CD1-CG1 4.02Å; L583-V588 HydrophobicContact CB-CG2 3.9Å; P584-V588 PolarHBondContact O-N 2.98Å; P584-V588 VanDerWaalsContact O-N 3.07Å; W585-V588 PolarHBondContact O-N 3.34Å; V588-A592 WeakPolarHBondContact O-CB 3.23Å; V588-A592 PolarHBondContact O-N 3.02Å
589	L	94.3	Very high	91.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-51.5	171.4	-84.2	153.4	0	0	0	112.1	L497 W585 T587 S591 A592 G593 F594 W643	L497-L589 HydrophobicContact CD1-CD2 4.2Å; L497-L589 HydrophobicContact CD1-CG 4.22Å; L497-L589 HydrophobicContact CD2-CD2 3.52Å; L497-L589 HydrophobicContact CD2-CG 4.32Å; W585-L589 HydrophobicContact CE3-CD1 3.63Å; W585-L589 HydrophobicContact CZ3-CD1 3.63Å; W585-L589 PolarHBondContact O-N 3.41Å; W585-L589 VanDerWaalsContact O-N 3.12Å; T587-L589 PolarHBondContact O-N 3.16Å; L589-S591 PolarHBondContact O-N 3.35Å; L589-A592 CarbonylContact O-C 3.48Å; L589-A592 PolarHBondContact O-N 2.86Å; L589-G593 PolarHBondContact O-N 3.26Å; L589-F594 HydrophobicContact CB-CB 4.33Å; L589-F594 HydrophobicContact CD2-CB 3.99Å; L589-F594 HydrophobicContact CD2-CD1 4.29Å; L589-F594 HydrophobicContact CD2-CD2 4.12Å; L589-F594 HydrophobicContact CD2-CG 3.88Å; L589-F594 WeakPolarHBondContact O-CB 3.11Å; L589-F594 PolarHBondContact O-N 3.16Å; L589-W643 HydrophobicContact CB-CD2 4.16Å; L589-W643 HydrophobicContact CB-CE3 3.91Å; L589-W643 HydrophobicContact CB-CH2 4.17Å; L589-W643 HydrophobicContact CB-CZ2 4.4Å; L589-W643 HydrophobicContact CB-CZ3 3.92Å; L589-W643 HydrophobicContact CD1-CD2 4.01Å; L589-W643 HydrophobicContact CD1-CG 4.3Å; L589-W643 HydrophobicContact CD1-CZ2 3.98Å; L589-W643 HydrophobicContact CD2-CD2 4.45Å; L589-W643 HydrophobicContact CD2-CG 4.35Å; L589-W643 HydrophobicContact CG-CD2 4.45Å
590	A	95	Very high	92.9	Very high	53 Å²	53	54.1 Å²	54.1	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-41.8	179.6	0	0	0	0	0	112.7	R586 T587 A592 G593 W643	R586-A590 PolarHBondContact O-N 2.91Å; T587-A590 PolarHBondContact O-N 3.12Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 3.48Å; A590-G593 WeakPolarHBondContact O-CA 3.37Å; A590-G593 PolarHBondContact O-N 3.01Å; A590-W643 HydrophobicContact CB-CZ3 4.45Å
591	S	94.9	Very high	93.6	Very high	92 Å²	92	53.6 Å²	53.6	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-69.3	-27.7	176.2	-64.3	0	0	0	0	113.3	T587 L589 G593	T587-S591 WeakPolarHBondContact O-CB 3.39Å; T587-S591 PolarHBondContact O-N 3.02Å; T587-S591 PolarHBondContact O-OG 3.39Å; T587-S591 VanDerWaalsContact O-OG 3.13Å; L589-S591 PolarHBondContact O-N 3.35Å; S591-G593 PolarHBondContact O-N 3.45Å
592	A	95.1	Very high	94.2	Very high	43 Å²	43	53.6 Å²	53.6	36%	0.355	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	3.9	167.2	0	0	0	0	0	112.9	L497 K501 V588 L589 A590 F594	L497-A592 HydrophobicContact CB-CB 4.29Å; L497-A592 HydrophobicContact CD1-CB 3.94Å; K501-A592 WeakPolarHBondContact CE-O 3.4Å; K501-A592 PolarHBondContact NZ-O 3.32Å; V588-A592 WeakPolarHBondContact O-CB 3.23Å; V588-A592 PolarHBondContact O-N 3.02Å; L589-A592 CarbonylContact O-C 3.48Å; L589-A592 PolarHBondContact O-N 2.86Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 3.48Å; A592-F594 HydrophobicContact CB-CD2 3.85Å; A592-F594 HydrophobicContact CB-CE2 3.95Å
593	G	95.8	Very high	94.7	Very high	40 Å²	40	52.5 Å²	52.5	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	30.1	177.1	0	0	0	0	0	114.1	K501 L589 A590 S591	K501-G593 PolarHBondContact NZ-O 2.97Å; L589-G593 PolarHBondContact O-N 3.26Å; A590-G593 WeakPolarHBondContact O-CA 3.37Å; A590-G593 PolarHBondContact O-N 3.01Å; S591-G593 PolarHBondContact O-N 3.45Å
594	F	96.5	Very high	95	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-90.3	135.9	168.7	-69.1	-101.7	0	0	0	110	L497 V500 K501 V508 L589 A592 W643 R644 C645	L497-F594 HydrophobicContact CB-CE2 3.93Å; L497-F594 HydrophobicContact CB-CZ 4.39Å; L497-F594 HydrophobicContact CD2-CD2 4.32Å; L497-F594 HydrophobicContact CD2-CE2 3.8Å; L497-F594 HydrophobicContact CD2-CZ 3.94Å; L497-F594 HydrophobicContact CG-CE2 4.28Å; V500-F594 HydrophobicContact CB-CZ 4.27Å; V500-F594 HydrophobicContact CG1-CE1 3.79Å; V500-F594 HydrophobicContact CG1-CZ 3.88Å; K501-F594 HydrophobicContact CD-CE2 4.24Å; K501-F594 HydrophobicContact CD-CZ 4.24Å; K501-F594 HydrophobicContact CG-CE2 3.92Å; K501-F594 HydrophobicContact CG-CZ 3.66Å; V508-F594 HydrophobicContact CG2-CD1 3.92Å; V508-F594 HydrophobicContact CG2-CE1 3.58Å; L589-F594 HydrophobicContact CB-CB 4.33Å; L589-F594 HydrophobicContact CD2-CB 3.99Å; L589-F594 HydrophobicContact CD2-CD1 4.29Å; L589-F594 HydrophobicContact CD2-CD2 4.12Å; L589-F594 HydrophobicContact CD2-CG 3.88Å; L589-F594 WeakPolarHBondContact O-CB 3.11Å; L589-F594 PolarHBondContact O-N 3.16Å; A592-F594 HydrophobicContact CB-CD2 3.85Å; A592-F594 HydrophobicContact CB-CE2 3.95Å; F594-W643 HydrophobicContact CB-CB 4.21Å; F594-W643 HydrophobicContact CB-CE3 4.3Å; F594-R644 CarbonylContact C-O 3.55Å; F594-R644 WeakPolarHBondContact CA-O 3.46Å; F594-C645 HydrophobicContact CD1-CB 4.23Å; F594-C645 HydrophobicContact CE1-CB 3.93Å
595	V	96.7	Very high	95.3	Very high	85 Å²	85	51.3 Å²	51.3	52%	0.515	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.4	-174.2	-177.7	0	0	0	0	110.2	V597 W643 R644	V595-V597 PolarHBondContact O-N 3.03Å; V595-W643 CarbonylContact O-C 3.57Å; V595-W643 VanDerWaalsContact O-CA 3.31Å; V595-W643 WeakPolarHBondContact O-CA 3.34Å; V595-R644 PolarHBondContact N-O 3.33Å; V595-R644 PolarHBondContact O-N 2.94Å
596	P	96.3	Very high	95.5	Very high	62 Å²	62	51.1 Å²	51.1	40%	0.403	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.5	-178.9	26.4	-33.5	0	0	0	111.6	W643	P596-W643 HydrophobicContact CB-CD2 4.3Å; P596-W643 HydrophobicContact CB-CE3 3.84Å; P596-W643 HydrophobicContact CB-CH2 4.19Å; P596-W643 HydrophobicContact CB-CZ3 3.78Å; P596-W643 HydrophobicContact CG-CE3 4.41Å; P596-W643 HydrophobicContact CG-CZ3 4.1Å
597	V	96.7	Very high	95.7	Very high	21 Å²	21	47.8 Å²	47.8	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.9	175.4	-179	0	0	0	0	108.8	V595 A599 A642 R644	V595-V597 PolarHBondContact O-N 3.03Å; V597-A599 PolarHBondContact O-N 2.78Å; V597-A642 HydrophobicContact CB-CB 4.05Å; V597-A642 PolarHBondContact N-O 3.13Å; V597-R644 HydrophobicContact CG2-CB 4.13Å
598	Q	96.5	Very high	95.9	Very high	136 Å²	136	49 Å²	49	64%	0.636	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-75.7	122.8	175.5	-62	-61.2	-60.7	0	0	109.8	S600	Q598-S600 PolarHBondContact O-N 2.66Å
599	A	96.1	Very high	96	Very high	25 Å²	25	49 Å²	49	21%	0.207	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57	132.5	175	0	0	0	0	0	111.8	V597 K623 G626 L628	V597-A599 PolarHBondContact O-N 2.78Å; A599-K623 WeakPolarHBondContact O-CE 3.5Å; A599-K623 PolarHBondContact O-NZ 3.4Å; A599-G626 WeakPolarHBondContact CB-O 3.39Å; A599-G626 PolarHBondContact N-O 3.29Å; A599-L628 HydrophobicContact CB-CB 4.44Å; A599-L628 HydrophobicContact CB-CD1 3.75Å; A599-L628 HydrophobicContact CB-CG 3.64Å
600	S	96	Very high	96	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.9	156.8	-174.3	59.9	0	0	0	0	113.1	D384 Q598 F602 A603 E604 K623	D384-S600 WeakPolarHBondContact OD2-CB 3.44Å; D384-S600 PolarHBondContact OD2-OG 3.26Å; Q598-S600 PolarHBondContact O-N 2.66Å; S600-F602 PolarHBondContact O-N 3.3Å; S600-A603 PolarHBondContact O-N 3.22Å; S600-A603 WeakPolarHBondContact OG-CB 3.21Å; S600-A603 PolarHBondContact OG-N 3.01Å; S600-A603 VanDerWaalsContact OG-N 3.14Å; S600-E604 PolarHBondContact O-N 3.43Å; S600-K623 PolarHBondContact O-NZ 3.3Å
601	T	96	Very high	96	Very high	101 Å²	101	47.4 Å²	47.4	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-65.1	-22.5	170	46.5	0	0	0	0	111.9	S605	T601-S605 WeakPolarHBondContact O-CB 3.5Å; T601-S605 PolarHBondContact O-N 2.95Å; T601-S605 PolarHBondContact O-OG 3.03Å
602	F	95.7	Very high	95.9	Very high	88 Å²	88	49.7 Å²	49.7	39%	0.386	29%	0.288	S	S	.	.	H	α-helix	trans	-75.6	-45	175.5	-171.3	-115.8	0	0	0	112.2	Q380 S600 E604 S605 Q606	Q380-F602 HydrophobicContact CG-CD1 4.02Å; Q380-F602 VanDerWaalsContact OE1-CE1 3.26Å; S600-F602 PolarHBondContact O-N 3.3Å; F602-E604 VanDerWaalsContact C-N 3.29Å; F602-E604 PolarHBondContact O-N 2.94Å; F602-S605 PolarHBondContact O-N 3.13Å; F602-Q606 HydrophobicContact CE1-CG 4.44Å; F602-Q606 HydrophobicContact CZ-CG 4.4Å; F602-Q606 WeakPolarHBondContact O-CG 3.33Å; F602-Q606 PolarHBondContact O-N 3.12Å
603	A	96.4	Very high	95.7	Very high	4 Å²	4	53 Å²	53	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-39.5	172	0	0	0	0	0	112.4	Q380 S600 Q606 A607 L628	Q380-A603 HydrophobicContact CB-CB 4.42Å; Q380-A603 HydrophobicContact CG-CB 4.06Å; S600-A603 PolarHBondContact O-N 3.22Å; S600-A603 WeakPolarHBondContact OG-CB 3.21Å; S600-A603 PolarHBondContact OG-N 3.01Å; S600-A603 VanDerWaalsContact OG-N 3.14Å; A603-Q606 PolarHBondContact O-N 3.29Å; A603-A607 WeakPolarHBondContact O-CB 3.49Å; A603-A607 PolarHBondContact O-N 2.73Å; A603-L628 HydrophobicContact CB-CD1 3.74Å
604	E	96.8	Very high	95.3	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.229	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-46.5	173.3	-176.8	171	-127	0	0	112.2	S600 F602 Q606 A607 E608 K623 L628	S600-E604 PolarHBondContact O-N 3.43Å; F602-E604 VanDerWaalsContact C-N 3.29Å; F602-E604 PolarHBondContact O-N 2.94Å; E604-Q606 PolarHBondContact O-N 3.26Å; E604-A607 PolarHBondContact O-N 3.07Å; E604-E608 PolarHBondContact O-N 3.43Å; E604-K623 VanDerWaalsContact CD-NZ 3.32Å; E604-K623 WeakPolarHBondContact OE1-CD 3.36Å; E604-K623 WeakPolarHBondContact OE1-CE 3.29Å; E604-K623 WeakPolarHBondContact OE1-CG 3.45Å; E604-K623 IonicContact OE1-NZ 3.66Å; E604-K623 VanDerWaalsContact OE2-CE 3.26Å; E604-K623 WeakPolarHBondContact OE2-CE 3.39Å; E604-K623 IonicContact OE2-NZ 2.64Å; E604-K623 PolarHBondContact OE2-NZ 2.99Å; E604-L628 HydrophobicContact CB-CD1 4.48Å; E604-L628 HydrophobicContact CB-CD2 4Å; E604-L628 HydrophobicContact CG-CD2 4.18Å
605	S	96.7	Very high	94.8	Very high	70 Å²	70	56.5 Å²	56.5	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-39.2	177.8	-61.6	0	0	0	0	112.4	T601 F602 A609	T601-S605 WeakPolarHBondContact O-CB 3.5Å; T601-S605 PolarHBondContact O-N 2.95Å; T601-S605 PolarHBondContact O-OG 3.03Å; F602-S605 PolarHBondContact O-N 3.13Å; S605-A609 VanDerWaalsContact O-CB 3.29Å; S605-A609 WeakPolarHBondContact O-CB 3.44Å; S605-A609 PolarHBondContact O-N 2.92Å
606	Q	95.8	Very high	93.9	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-45.2	173.1	-74.3	-173.5	56	0	0	112	F602 A603 E604 E608 A609 L610	F602-Q606 HydrophobicContact CE1-CG 4.44Å; F602-Q606 HydrophobicContact CZ-CG 4.4Å; F602-Q606 WeakPolarHBondContact O-CG 3.33Å; F602-Q606 PolarHBondContact O-N 3.12Å; A603-Q606 PolarHBondContact O-N 3.29Å; E604-Q606 PolarHBondContact O-N 3.26Å; Q606-E608 PolarHBondContact O-N 3.11Å; Q606-A609 PolarHBondContact O-N 2.65Å; Q606-A609 VanDerWaalsContact O-N 3.14Å; Q606-L610 PolarHBondContact O-N 2.86Å
607	A	96.4	Very high	93.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-40.1	178.6	0	0	0	0	0	112	F373 T377 A603 E604 L611 V621	F373-A607 HydrophobicContact CD2-CB 3.8Å; F373-A607 HydrophobicContact CE2-CB 3.78Å; T377-A607 HydrophobicContact CG2-CB 4.21Å; A603-A607 WeakPolarHBondContact O-CB 3.49Å; A603-A607 PolarHBondContact O-N 2.73Å; E604-A607 PolarHBondContact O-N 3.07Å; A607-L611 PolarHBondContact O-N 3.31Å; A607-V621 HydrophobicContact CB-CG1 4.13Å; A607-V621 HydrophobicContact CB-CG2 3.77Å
608	E	95.9	Very high	93.3	Very high	86 Å²	86	58.4 Å²	58.4	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-41.5	169.7	-79.6	-166.4	-156.7	0	0	112.7	E604 Q606 L610 L611 K612	E604-E608 PolarHBondContact O-N 3.43Å; Q606-E608 PolarHBondContact O-N 3.11Å; E608-L610 VanDerWaalsContact C-N 3.32Å; E608-L610 PolarHBondContact O-N 3.21Å; E608-L611 PolarHBondContact O-N 3.23Å; E608-K612 WeakPolarHBondContact O-CD 3.43Å; E608-K612 VanDerWaalsContact O-CG 3.25Å; E608-K612 WeakPolarHBondContact O-CG 3.33Å; E608-K612 PolarHBondContact O-N 3.25Å; E608-K612 WeakPolarHBondContact OE2-CE 3.25Å; E608-K612 IonicContact OE2-NZ 3.76Å; E608-K612 PolarHBondContact OE2-NZ 3Å
609	A	95.5	Very high	93.2	Very high	32 Å²	32	52.9 Å²	52.9	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-35.6	179.5	0	0	0	0	0	112.1	L229 S605 Q606 K612 R613	L229-A609 HydrophobicContact CD1-CB 4.29Å; S605-A609 VanDerWaalsContact O-CB 3.29Å; S605-A609 WeakPolarHBondContact O-CB 3.44Å; S605-A609 PolarHBondContact O-N 2.92Å; Q606-A609 PolarHBondContact O-N 2.65Å; Q606-A609 VanDerWaalsContact O-N 3.14Å; A609-K612 PolarHBondContact O-N 2.94Å; A609-R613 WeakPolarHBondContact O-CB 3.5Å; A609-R613 PolarHBondContact O-N 3.23Å
610	L	95.1	Very high	93.2	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-53	171.1	174.6	68.2	0	0	0	111.3	P369 Q372 F373 L376 Q606 E608 K612 R613 M614	P369-L610 HydrophobicContact CB-CD2 4.09Å; P369-L610 HydrophobicContact CB-CG 4.38Å; Q372-L610 HydrophobicContact CB-CD1 3.94Å; Q372-L610 HydrophobicContact CB-CD2 3.84Å; F373-L610 HydrophobicContact CB-CD2 4.13Å; L376-L610 HydrophobicContact CD1-CD2 4.42Å; Q606-L610 PolarHBondContact O-N 2.86Å; E608-L610 VanDerWaalsContact C-N 3.32Å; E608-L610 PolarHBondContact O-N 3.21Å; L610-K612 VanDerWaalsContact C-N 3.35Å; L610-K612 PolarHBondContact O-N 3.01Å; L610-R613 PolarHBondContact O-N 3.06Å; L610-M614 HydrophobicContact CD1-CG 4.28Å; L610-M614 HydrophobicContact CD1-SD 3.7Å; L610-M614 HydrophobicContact CG-SD 4.12Å; L610-M614 WeakPolarHBondContact O-CG 3.48Å; L610-M614 PolarHBondContact O-N 3.42Å
611	L	94.4	Very high	93.3	Very high	17 Å²	17	55.9 Å²	55.9	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-42.7	-179.8	-61.9	-171.9	0	0	0	111.9	P369 A607 E608 R613 M614 A615 F619 V621 L630	P369-L611 HydrophobicContact CB-CD2 3.62Å; P369-L611 HydrophobicContact CG-CD2 3.6Å; A607-L611 PolarHBondContact O-N 3.31Å; E608-L611 PolarHBondContact O-N 3.23Å; L611-R613 VanDerWaalsContact C-N 3.33Å; L611-R613 PolarHBondContact O-N 3.43Å; L611-M614 PolarHBondContact O-N 3.46Å; L611-A615 PolarHBondContact O-N 3.04Å; L611-A615 VanDerWaalsContact O-N 3.09Å; L611-F619 HydrophobicContact CD1-CB 3.8Å; L611-F619 HydrophobicContact CD2-CB 3.77Å; L611-F619 HydrophobicContact CD2-CG 4.28Å; L611-F619 HydrophobicContact CG-CB 4.38Å; L611-V621 HydrophobicContact CD1-CG2 3.87Å; L611-V621 HydrophobicContact CG-CG2 4.47Å; L611-L630 HydrophobicContact CD1-CD1 4.18Å; L611-L630 HydrophobicContact CD2-CD1 4.04Å
612	K	93.1	Very high	93.2	Very high	141 Å²	141	54.1 Å²	54.1	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-39.4	176	-68	162.6	-167.8	169.1	0	111.8	E608 A609 L610 A615	E608-K612 WeakPolarHBondContact O-CD 3.43Å; E608-K612 VanDerWaalsContact O-CG 3.25Å; E608-K612 WeakPolarHBondContact O-CG 3.33Å; E608-K612 PolarHBondContact O-N 3.25Å; E608-K612 WeakPolarHBondContact OE2-CE 3.25Å; E608-K612 IonicContact OE2-NZ 3.76Å; E608-K612 PolarHBondContact OE2-NZ 3Å; A609-K612 PolarHBondContact O-N 2.94Å; L610-K612 VanDerWaalsContact C-N 3.35Å; L610-K612 PolarHBondContact O-N 3.01Å; K612-A615 PolarHBondContact O-N 2.78Å
613	R	91.1	Very high	93.2	Very high	113 Å²	113	53.6 Å²	53.6	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-38	178.5	-178.1	174.8	68.4	-156.7	2.2	113	A609 L610 L611 A615	A609-R613 WeakPolarHBondContact O-CB 3.5Å; A609-R613 PolarHBondContact O-N 3.23Å; L610-R613 PolarHBondContact O-N 3.06Å; L611-R613 VanDerWaalsContact C-N 3.33Å; L611-R613 PolarHBondContact O-N 3.43Å; R613-A615 VanDerWaalsContact C-N 3.27Å
614	M	88.1	Confident	93	Very high	45 Å²	45	60.1 Å²	60.1	22%	0.222	30%	0.299	C	S	.	.	H	α-helix	trans	-80.8	-8.1	176.7	-61	177.6	78.9	0	0	112.8	P369 L610 L611 L616	P369-M614 HydrophobicContact CB-SD 3.77Å; L610-M614 HydrophobicContact CD1-CG 4.28Å; L610-M614 HydrophobicContact CD1-SD 3.7Å; L610-M614 HydrophobicContact CG-SD 4.12Å; L610-M614 WeakPolarHBondContact O-CG 3.48Å; L610-M614 PolarHBondContact O-N 3.42Å; L611-M614 PolarHBondContact O-N 3.46Å; M614-L616 HydrophobicContact CB-CD1 3.96Å; M614-L616 HydrophobicContact CB-CG 3.77Å; M614-L616 HydrophobicContact CE-CD1 4.14Å; M614-L616 WeakPolarHBondContact O-CD2 3.41Å; M614-L616 WeakPolarHBondContact O-CG 3.42Å; M614-L616 PolarHBondContact O-N 2.79Å; M614-L616 VanDerWaalsContact O-N 3.15Å
615	A	85	Confident	92.5	Very high	70 Å²	70	61.3 Å²	61.3	58%	0.579	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	20.3	179.5	0	0	0	0	0	115.4	L611 K612 R613 M617	L611-A615 PolarHBondContact O-N 3.04Å; L611-A615 VanDerWaalsContact O-N 3.09Å; K612-A615 PolarHBondContact O-N 2.78Å; R613-A615 VanDerWaalsContact C-N 3.27Å; A615-M617 PolarHBondContact O-N 3.08Å
616	L	79.3	Confident	92.2	Very high	28 Å²	28	58.2 Å²	58.2	15%	0.147	30%	0.304	C	S	.	.			trans	-82.5	109.3	-172.1	-55.3	-180	0	0	0	111.7	P369 V543 M614 F619	P369-L616 HydrophobicContact CG-CD1 4.23Å; V543-L616 HydrophobicContact CB-CD2 4.44Å; V543-L616 HydrophobicContact CG1-CD2 3.88Å; V543-L616 HydrophobicContact CG2-CD1 4.21Å; V543-L616 HydrophobicContact CG2-CD2 3.76Å; M614-L616 HydrophobicContact CB-CD1 3.96Å; M614-L616 HydrophobicContact CB-CG 3.77Å; M614-L616 HydrophobicContact CE-CD1 4.14Å; M614-L616 WeakPolarHBondContact O-CD2 3.41Å; M614-L616 WeakPolarHBondContact O-CG 3.42Å; M614-L616 PolarHBondContact O-N 2.79Å; M614-L616 VanDerWaalsContact O-N 3.15Å; L616-F619 HydrophobicContact CB-CD2 3.54Å; L616-F619 HydrophobicContact CB-CE2 3.82Å; L616-F619 HydrophobicContact CD1-CD2 4.17Å; L616-F619 HydrophobicContact CD1-CE2 3.8Å; L616-F619 HydrophobicContact CG-CE2 4.42Å
617	M	85.9	Confident	92.2	Very high	157 Å²	157	57.7 Å²	57.7	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	133.6	176.7	-64.1	-62.9	97.5	0	0	111.2	A615 W632	A615-M617 PolarHBondContact O-N 3.08Å; M617-W632 VanDerWaalsContact O-CH2 3.23Å; M617-W632 WeakPolarHBondContact O-CH2 3.45Å; M617-W632 WeakPolarHBondContact O-CZ3 3.45Å
618	G	92.8	Very high	92.2	Very high	24 Å²	24	57.8 Å²	57.8	25%	0.247	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-19.4	179	0	0	0	0	0	114.2	W632 Q633	G618-W632 VanDerWaalsContact C-CE3 3.5Å; G618-Q633 PolarHBondContact O-N 3.23Å
619	F	96	Very high	92.3	Very high	19 Å²	19	53.8 Å²	53.8	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	147.6	167.7	-66.8	-86	0	0	0	111.6	P369 L611 L616 L630 Y631 W632 L637	P369-F619 VanDerWaalsContact CD-CZ 3.42Å; P369-F619 HydrophobicContact CG-CD1 3.62Å; P369-F619 HydrophobicContact CG-CD2 4.12Å; P369-F619 HydrophobicContact CG-CE1 3.6Å; P369-F619 HydrophobicContact CG-CE2 4.12Å; P369-F619 HydrophobicContact CG-CG 3.88Å; P369-F619 HydrophobicContact CG-CZ 3.86Å; L611-F619 HydrophobicContact CD1-CB 3.8Å; L611-F619 HydrophobicContact CD2-CB 3.77Å; L611-F619 HydrophobicContact CD2-CG 4.28Å; L611-F619 HydrophobicContact CG-CB 4.38Å; L616-F619 HydrophobicContact CB-CD2 3.54Å; L616-F619 HydrophobicContact CB-CE2 3.82Å; L616-F619 HydrophobicContact CD1-CD2 4.17Å; L616-F619 HydrophobicContact CD1-CE2 3.8Å; L616-F619 HydrophobicContact CG-CE2 4.42Å; F619-L630 HydrophobicContact CB-CD1 4.4Å; F619-L630 HydrophobicContact CD1-CD1 4.11Å; F619-L630 HydrophobicContact CD1-CG 4.42Å; F619-Y631 CarbonylContact C-O 3.56Å; F619-Y631 VanDerWaalsContact CA-O 3.24Å; F619-Y631 WeakPolarHBondContact CA-O 3.46Å; F619-W632 HydrophobicContact CD1-CB 4.41Å; F619-W632 HydrophobicContact CD1-CE3 4.02Å; F619-W632 AromaticContact CD2-CE3 3.6Å; F619-W632 HydrophobicContact CD2-CE3 3.6Å; F619-W632 AromaticContact CD2-CZ3 3.65Å; F619-W632 HydrophobicContact CD2-CZ3 3.65Å; F619-W632 HydrophobicContact CE1-CB 4.3Å; F619-W632 AromaticContact CE1-CE3 3.97Å; F619-W632 HydrophobicContact CE1-CE3 3.97Å; F619-W632 AromaticContact CE2-CE3 3.55Å; F619-W632 HydrophobicContact CE2-CE3 3.55Å; F619-W632 AromaticContact CE2-CZ3 3.59Å; F619-W632 HydrophobicContact CE2-CZ3 3.59Å; F619-W632 AromaticContact CG-CE3 3.85Å; F619-W632 HydrophobicContact CG-CE3 3.85Å; F619-W632 HydrophobicContact CG-CZ3 4.31Å; F619-W632 AromaticContact CZ-CE3 3.75Å; F619-W632 HydrophobicContact CZ-CE3 3.75Å; F619-W632 HydrophobicContact CZ-CZ3 4.22Å; F619-L637 HydrophobicContact CD1-CD1 4.45Å; F619-L637 HydrophobicContact CE1-CD1 3.86Å
620	R	95.7	Very high	92.4	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.4	163.9	71.8	175.6	-171.5	-62.9	-16.9	112.3	E622 Y631 Q633	R620-E622 IonicContact CZ-OE1 3.73Å; R620-E622 IonicContact NE-OE1 3.21Å; R620-E622 PolarHBondContact NE-OE1 3.17Å; R620-E622 IonicContact NH2-OE1 3.5Å; R620-E622 PolarHBondContact NH2-OE1 3.19Å; R620-Y631 HydrophobicContact CG-CD2 4.46Å; R620-Y631 PolarHBondContact N-O 2.98Å; R620-Y631 PolarHBondContact O-N 2.92Å; R620-Q633 PolarHBondContact NH1-O 3.05Å
621	V	96.8	Very high	92.5	Very high	23 Å²	23	52.9 Å²	52.9	14%	0.139	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.3	171.2	-178.9	0	0	0	0	108.9	F373 A607 L611 L628 C629	F373-V621 HydrophobicContact CD2-CG2 4.34Å; F373-V621 HydrophobicContact CE2-CG1 4.1Å; F373-V621 HydrophobicContact CE2-CG2 4Å; A607-V621 HydrophobicContact CB-CG1 4.13Å; A607-V621 HydrophobicContact CB-CG2 3.77Å; L611-V621 HydrophobicContact CD1-CG2 3.87Å; L611-V621 HydrophobicContact CG-CG2 4.47Å; V621-L628 HydrophobicContact CG1-CD2 3.59Å; V621-C629 CarbonylContact C-O 3.53Å; V621-C629 WeakPolarHBondContact CA-O 3.37Å
622	E	95.6	Very high	92.6	Very high	65 Å²	65	52.6 Å²	52.6	30%	0.304	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.2	166.5	-53.8	178.4	168.7	0	0	111	R620 C629 Y631	R620-E622 IonicContact CZ-OE1 3.73Å; R620-E622 IonicContact NE-OE1 3.21Å; R620-E622 PolarHBondContact NE-OE1 3.17Å; R620-E622 IonicContact NH2-OE1 3.5Å; R620-E622 PolarHBondContact NH2-OE1 3.19Å; E622-C629 PolarHBondContact N-O 3.41Å; E622-C629 PolarHBondContact O-N 2.92Å; E622-Y631 HydrophobicContact CB-CE2 3.86Å; E622-Y631 HydrophobicContact CG-CD2 3.99Å; E622-Y631 HydrophobicContact CG-CE2 3.63Å; E622-Y631 WeakPolarHBondContact OE2-CE2 3.43Å; E622-Y631 PolarHBondContact OE2-OH 2.93Å
623	K	94.7	Very high	92.6	Very high	77 Å²	77	50.9 Å²	50.9	34%	0.335	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.7	162.9	-81.8	178.4	177.2	162.7	0	111.4	A599 S600 E604 A627 L628	A599-K623 WeakPolarHBondContact O-CE 3.5Å; A599-K623 PolarHBondContact O-NZ 3.4Å; S600-K623 PolarHBondContact O-NZ 3.3Å; E604-K623 VanDerWaalsContact CD-NZ 3.32Å; E604-K623 WeakPolarHBondContact OE1-CD 3.36Å; E604-K623 WeakPolarHBondContact OE1-CE 3.29Å; E604-K623 WeakPolarHBondContact OE1-CG 3.45Å; E604-K623 IonicContact OE1-NZ 3.66Å; E604-K623 VanDerWaalsContact OE2-CE 3.26Å; E604-K623 WeakPolarHBondContact OE2-CE 3.39Å; E604-K623 IonicContact OE2-NZ 2.64Å; E604-K623 PolarHBondContact OE2-NZ 2.99Å; K623-A627 WeakPolarHBondContact CA-O 3.48Å; K623-L628 HydrophobicContact CG-CD2 3.65Å; K623-L628 HydrophobicContact CG-CG 4.28Å
624	R	91.6	Very high	92.6	Very high	140 Å²	140	56.8 Å²	56.8	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	111.3	-176.6	-168.8	177.6	-177.7	-172.3	2	110.8	G626 A627 E636	R624-G626 VanDerWaalsContact C-N 3.25Å; R624-G626 PolarHBondContact O-N 3.41Å; R624-A627 PolarHBondContact N-O 3.35Å; R624-A627 VanDerWaalsContact O-CB 3.32Å; R624-A627 WeakPolarHBondContact O-CB 3.46Å; R624-A627 PolarHBondContact O-N 3.34Å; R624-E636 IonicContact CZ-OE2 2.69Å; R624-E636 IonicContact NH1-OE2 2.79Å; R624-E636 PolarHBondContact NH1-OE2 2.92Å
625	G	87	Confident	92.8	Very high	75 Å²	75	55.4 Å²	55.4	77%	0.773	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	31.2	177.4	0	0	0	0	0	114.5	A627	G625-A627 VanDerWaalsContact C-N 3.3Å; G625-A627 PolarHBondContact O-N 3.21Å
626	G	90.4	Very high	93.3	Very high	5 Å²	5	53.5 Å²	53.5	5%	0.052	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-18.9	-173.6	0	0	0	0	0	115.1	A599 R624	A599-G626 WeakPolarHBondContact CB-O 3.39Å; A599-G626 PolarHBondContact N-O 3.29Å; R624-G626 VanDerWaalsContact C-N 3.25Å; R624-G626 PolarHBondContact O-N 3.41Å
627	A	95.7	Very high	94.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	156.7	172.2	0	0	0	0	0	112	K623 R624 G625 V640	K623-A627 WeakPolarHBondContact CA-O 3.48Å; R624-A627 PolarHBondContact N-O 3.35Å; R624-A627 VanDerWaalsContact O-CB 3.32Å; R624-A627 WeakPolarHBondContact O-CB 3.46Å; R624-A627 PolarHBondContact O-N 3.34Å; G625-A627 VanDerWaalsContact C-N 3.3Å; G625-A627 PolarHBondContact O-N 3.21Å; A627-V640 CarbonylContact C-O 3.56Å; A627-V640 VanDerWaalsContact CA-O 3.27Å; A627-V640 WeakPolarHBondContact CA-O 3Å; A627-V640 WeakPolarHBondContact CB-O 3.33Å
628	L	97.6	Very high	94.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.2	157.8	-84.1	165.8	0	0	0	109	F373 T377 A599 A603 E604 V621 K623 S639 V640	F373-L628 HydrophobicContact CZ-CB 4.02Å; T377-L628 HydrophobicContact CG2-CB 4.38Å; T377-L628 HydrophobicContact CG2-CD1 3.78Å; A599-L628 HydrophobicContact CB-CB 4.44Å; A599-L628 HydrophobicContact CB-CD1 3.75Å; A599-L628 HydrophobicContact CB-CG 3.64Å; A603-L628 HydrophobicContact CB-CD1 3.74Å; E604-L628 HydrophobicContact CB-CD1 4.48Å; E604-L628 HydrophobicContact CB-CD2 4Å; E604-L628 HydrophobicContact CG-CD2 4.18Å; V621-L628 HydrophobicContact CG1-CD2 3.59Å; K623-L628 HydrophobicContact CG-CD2 3.65Å; K623-L628 HydrophobicContact CG-CG 4.28Å; L628-S639 CarbonylContact O-C 3.6Å; L628-S639 WeakPolarHBondContact O-CA 3.46Å; L628-V640 PolarHBondContact N-O 3.16Å; L628-V640 PolarHBondContact O-N 3.09Å
629	C	97.3	Very high	94.8	Very high	2 Å²	2	44 Å²	44	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131	-177.5	-61	0	0	0	0	110.2	V621 E622 Y631 E636 V638 S639	V621-C629 CarbonylContact C-O 3.53Å; V621-C629 WeakPolarHBondContact CA-O 3.37Å; E622-C629 PolarHBondContact N-O 3.41Å; E622-C629 PolarHBondContact O-N 2.92Å; C629-Y631 HydrophobicContact CB-CD2 4.27Å; C629-Y631 HydrophobicContact CB-CE2 3.59Å; C629-E636 HydrophobicContact CB-CG 4.15Å; C629-E636 PolarHBondContact SG-OE1 3.03Å; C629-V638 WeakPolarHBondContact CA-O 3.42Å; C629-S639 WeakPolarHBondContact SG-CB 3.45Å
630	L	97.8	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.1	169.8	177.6	68.8	0	0	0	109.3	P369 V370 F373 L611 F619 L637 V638	P369-L630 HydrophobicContact CG-CD2 4.26Å; V370-L630 HydrophobicContact CB-CD2 4.38Å; V370-L630 HydrophobicContact CG2-CD2 3.85Å; F373-L630 HydrophobicContact CB-CD2 3.97Å; F373-L630 HydrophobicContact CD1-CB 3.71Å; F373-L630 HydrophobicContact CD1-CD2 4.29Å; F373-L630 HydrophobicContact CD2-CB 4Å; F373-L630 HydrophobicContact CD2-CD1 4.38Å; F373-L630 HydrophobicContact CE1-CB 3.69Å; F373-L630 HydrophobicContact CE2-CB 3.98Å; F373-L630 HydrophobicContact CG-CB 3.86Å; F373-L630 HydrophobicContact CG-CD2 4.03Å; F373-L630 HydrophobicContact CG-CG 4.39Å; F373-L630 HydrophobicContact CZ-CB 3.82Å; L611-L630 HydrophobicContact CD1-CD1 4.18Å; L611-L630 HydrophobicContact CD2-CD1 4.04Å; F619-L630 HydrophobicContact CB-CD1 4.4Å; F619-L630 HydrophobicContact CD1-CD1 4.11Å; F619-L630 HydrophobicContact CD1-CG 4.42Å; L630-L637 PolarHBondContact O-N 3.48Å; L630-V638 HydrophobicContact CB-CG1 3.84Å; L630-V638 HydrophobicContact CD2-CG1 4.05Å; L630-V638 PolarHBondContact N-O 3.11Å; L630-V638 PolarHBondContact O-N 3.48Å
631	Y	96.6	Very high	94.9	Very high	14 Å²	14	39.3 Å²	39.3	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.3	175.7	-63.7	-102.4	0	0	0	111.2	F619 R620 E622 C629 G635 E636	F619-Y631 CarbonylContact C-O 3.56Å; F619-Y631 VanDerWaalsContact CA-O 3.24Å; F619-Y631 WeakPolarHBondContact CA-O 3.46Å; R620-Y631 HydrophobicContact CG-CD2 4.46Å; R620-Y631 PolarHBondContact N-O 2.98Å; R620-Y631 PolarHBondContact O-N 2.92Å; E622-Y631 HydrophobicContact CB-CE2 3.86Å; E622-Y631 HydrophobicContact CG-CD2 3.99Å; E622-Y631 HydrophobicContact CG-CE2 3.63Å; E622-Y631 WeakPolarHBondContact OE2-CE2 3.43Å; E622-Y631 PolarHBondContact OE2-OH 2.93Å; C629-Y631 HydrophobicContact CB-CD2 4.27Å; C629-Y631 HydrophobicContact CB-CE2 3.59Å; Y631-G635 CarbonylContact C-O 3.53Å; Y631-G635 WeakPolarHBondContact CA-O 3.19Å; Y631-G635 WeakPolarHBondContact CB-O 3.28Å; Y631-E636 HydrophobicContact CD1-CB 3.65Å; Y631-E636 HydrophobicContact CD1-CG 4Å; Y631-E636 HydrophobicContact CE1-CB 3.49Å; Y631-E636 VanDerWaalsContact CE1-CB 3.49Å; Y631-E636 HydrophobicContact CE1-CG 3.66Å; Y631-E636 HydrophobicContact CE2-CG 4.26Å; Y631-E636 HydrophobicContact CG-CB 4.46Å; Y631-E636 HydrophobicContact CG-CG 4.45Å; Y631-E636 PolarHBondContact OH-OE2 3.37Å
632	W	96	Very high	94.9	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.5	157.6	170.6	-104.8	0	0	0	109.2	D538 S539 A542 M617 G618 F619 R634 G635 L637	D538-W632 PolarHBondContact OD2-NE1 3.27Å; S539-W632 VanDerWaalsContact CB-CD2 3.44Å; A542-W632 HydrophobicContact CB-CH2 3.32Å; A542-W632 HydrophobicContact CB-CZ2 3.41Å; A542-W632 VanDerWaalsContact CB-CZ2 3.41Å; A542-W632 HydrophobicContact CB-CZ3 4.3Å; M617-W632 VanDerWaalsContact O-CH2 3.23Å; M617-W632 WeakPolarHBondContact O-CH2 3.45Å; M617-W632 WeakPolarHBondContact O-CZ3 3.45Å; G618-W632 VanDerWaalsContact C-CE3 3.5Å; F619-W632 HydrophobicContact CD1-CB 4.41Å; F619-W632 HydrophobicContact CD1-CE3 4.02Å; F619-W632 AromaticContact CD2-CE3 3.6Å; F619-W632 HydrophobicContact CD2-CE3 3.6Å; F619-W632 AromaticContact CD2-CZ3 3.65Å; F619-W632 HydrophobicContact CD2-CZ3 3.65Å; F619-W632 HydrophobicContact CE1-CB 4.3Å; F619-W632 AromaticContact CE1-CE3 3.97Å; F619-W632 HydrophobicContact CE1-CE3 3.97Å; F619-W632 AromaticContact CE2-CE3 3.55Å; F619-W632 HydrophobicContact CE2-CE3 3.55Å; F619-W632 AromaticContact CE2-CZ3 3.59Å; F619-W632 HydrophobicContact CE2-CZ3 3.59Å; F619-W632 AromaticContact CG-CE3 3.85Å; F619-W632 HydrophobicContact CG-CE3 3.85Å; F619-W632 HydrophobicContact CG-CZ3 4.31Å; F619-W632 AromaticContact CZ-CE3 3.75Å; F619-W632 HydrophobicContact CZ-CE3 3.75Å; F619-W632 HydrophobicContact CZ-CZ3 4.22Å; W632-R634 PolarHBondContact O-N 3.27Å; W632-R634 VanDerWaalsContact O-N 3.13Å; W632-G635 PolarHBondContact N-O 3.36Å; W632-G635 PolarHBondContact O-N 3.38Å; W632-L637 HydrophobicContact CB-CD1 3.69Å; W632-L637 HydrophobicContact CB-CD2 4.23Å; W632-L637 HydrophobicContact CB-CG 3.98Å
633	Q	93.4	Very high	95	Very high	104 Å²	104	36.1 Å²	36.1	49%	0.486	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	-122.1	-170.6	-58.1	-63.7	-14.7	0	0	109.7	G618 R620	G618-Q633 PolarHBondContact O-N 3.23Å; R620-Q633 PolarHBondContact NH1-O 3.05Å
634	R	91.1	Very high	95.1	Very high	238 Å²	238	37.6 Å²	37.6	90%	0.898	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.9	178.2	-65	-179.4	-177.3	-89.2	-1.2	114.5	W632	W632-R634 PolarHBondContact O-N 3.27Å; W632-R634 VanDerWaalsContact O-N 3.13Å
635	G	93.6	Very high	95.2	Very high	16 Å²	16	33.7 Å²	33.7	17%	0.165	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.1	-178.9	0	0	0	0	0	112.6	Y631 W632	Y631-G635 CarbonylContact C-O 3.53Å; Y631-G635 WeakPolarHBondContact CA-O 3.19Å; Y631-G635 WeakPolarHBondContact CB-O 3.28Å; W632-G635 PolarHBondContact N-O 3.36Å; W632-G635 PolarHBondContact O-N 3.38Å
636	E	95.2	Very high	95.6	Very high	30 Å²	30	31.7 Å²	31.7	14%	0.14	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.2	174.7	-162.1	178.5	151.6	0	0	109	C515 R624 C629 Y631	C515-E636 VanDerWaalsContact SG-CB 3.5Å; C515-E636 VanDerWaalsContact SG-CD 3.54Å; C515-E636 WeakPolarHBondContact SG-CG 3.28Å; C515-E636 PolarHBondContact SG-O 3.47Å; C515-E636 VanDerWaalsContact SG-O 3.42Å; R624-E636 IonicContact CZ-OE2 2.69Å; R624-E636 IonicContact NH1-OE2 2.79Å; R624-E636 PolarHBondContact NH1-OE2 2.92Å; C629-E636 HydrophobicContact CB-CG 4.15Å; C629-E636 PolarHBondContact SG-OE1 3.03Å; Y631-E636 HydrophobicContact CD1-CB 3.65Å; Y631-E636 HydrophobicContact CD1-CG 4Å; Y631-E636 HydrophobicContact CE1-CB 3.49Å; Y631-E636 VanDerWaalsContact CE1-CB 3.49Å; Y631-E636 HydrophobicContact CE1-CG 3.66Å; Y631-E636 HydrophobicContact CE2-CG 4.26Å; Y631-E636 HydrophobicContact CG-CB 4.46Å; Y631-E636 HydrophobicContact CG-CG 4.45Å; Y631-E636 PolarHBondContact OH-OE2 3.37Å
637	L	96	Very high	95.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-40.8	-173.6	-63.9	-172.6	0	0	0	112.8	V370 G514 L536 F619 L630 W632	V370-L637 HydrophobicContact CG2-CB 4.35Å; V370-L637 HydrophobicContact CG2-CD1 3.72Å; G514-L637 PolarHBondContact N-O 3.27Å; L536-L637 HydrophobicContact CB-CD2 4.12Å; L536-L637 HydrophobicContact CD1-CD1 4.44Å; F619-L637 HydrophobicContact CD1-CD1 4.45Å; F619-L637 HydrophobicContact CE1-CD1 3.86Å; L630-L637 PolarHBondContact O-N 3.48Å; W632-L637 HydrophobicContact CB-CD1 3.69Å; W632-L637 HydrophobicContact CB-CD2 4.23Å; W632-L637 HydrophobicContact CB-CG 3.98Å
638	V	96.2	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	138.4	179.1	54	0	0	0	0	110.5	V370 F373 V511 D512 R513 C629 L630 V640	V370-V638 HydrophobicContact CG1-CG1 4.11Å; F373-V638 HydrophobicContact CD1-CG1 3.61Å; F373-V638 HydrophobicContact CE1-CG1 3.94Å; V511-V638 HydrophobicContact CG1-CG2 3.58Å; D512-V638 VanDerWaalsContact O-CA 3.29Å; D512-V638 WeakPolarHBondContact O-CA 3.47Å; R513-V638 HydrophobicContact CG-CG2 4.21Å; C629-V638 WeakPolarHBondContact CA-O 3.42Å; L630-V638 HydrophobicContact CB-CG1 3.84Å; L630-V638 HydrophobicContact CD2-CG1 4.05Å; L630-V638 PolarHBondContact N-O 3.11Å; L630-V638 PolarHBondContact O-N 3.48Å; V638-V640 HydrophobicContact CG2-CG2 4.37Å
639	S	96.1	Very high	95.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	167.4	73.5	0	0	0	0	111.4	V511 D512 R586 L628 C629	V511-S639 WeakPolarHBondContact CA-O 3.46Å; D512-S639 PolarHBondContact N-O 3.31Å; D512-S639 PolarHBondContact O-N 3.33Å; R586-S639 PolarHBondContact NH2-OG 2.97Å; L628-S639 CarbonylContact O-C 3.6Å; L628-S639 WeakPolarHBondContact O-CA 3.46Å; C629-S639 WeakPolarHBondContact SG-CB 3.45Å
640	V	97.2	Very high	95.7	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131	176	-176.3	0	0	0	0	108.9	F373 A374 T377 C378 V509 S510 V511 A627 L628 V638	F373-V640 HydrophobicContact CE1-CG2 4.17Å; A374-V640 HydrophobicContact CB-CG2 4.47Å; T377-V640 WeakPolarHBondContact OG1-CB 3.4Å; T377-V640 VanDerWaalsContact OG1-CG2 3.27Å; T377-V640 WeakPolarHBondContact OG1-CG2 3.44Å; C378-V640 HydrophobicContact CB-CG1 4.43Å; V509-V640 HydrophobicContact CG1-CG1 3.77Å; S510-V640 WeakPolarHBondContact O-CA 3.41Å; V511-V640 HydrophobicContact CB-CG2 4.5Å; V511-V640 HydrophobicContact CG1-CG2 4.21Å; V511-V640 HydrophobicContact CG2-CG1 4.33Å; V511-V640 HydrophobicContact CG2-CG2 4.02Å; A627-V640 CarbonylContact C-O 3.56Å; A627-V640 VanDerWaalsContact CA-O 3.27Å; A627-V640 WeakPolarHBondContact CA-O 3Å; A627-V640 WeakPolarHBondContact CB-O 3.33Å; L628-V640 PolarHBondContact N-O 3.16Å; L628-V640 PolarHBondContact O-N 3.09Å; V638-V640 HydrophobicContact CG2-CG2 4.37Å
641	S	96.8	Very high	95.5	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141	179	55.5	0	0	0	0	112	S510 R586 W643	S510-S641 PolarHBondContact N-O 3.3Å; S510-S641 PolarHBondContact O-N 3.41Å; R586-S641 VanDerWaalsContact NH1-CB 3.28Å; R586-S641 PolarHBondContact NH1-OG 3.04Å; R586-S641 PolarHBondContact NH2-OG 3.31Å; S641-W643 PolarHBondContact OG-NE1 3.2Å
642	A	97.8	Very high	95.5	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.1	176.7	0	0	0	0	0	111.4	A381 V507 V508 V509 V597	A381-A642 HydrophobicContact CB-CB 3.6Å; V507-A642 HydrophobicContact CG2-CB 3.95Å; V508-A642 CarbonylContact O-C 3.52Å; V508-A642 WeakPolarHBondContact O-CA 3.32Å; V509-A642 HydrophobicContact CG2-CB 4.29Å; V597-A642 HydrophobicContact CB-CB 4.05Å; V597-A642 PolarHBondContact N-O 3.13Å
643	W	97.6	Very high	95.4	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.045	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.4	-175.6	-56.5	78.3	0	0	0	109.5	V507 V508 W585 R586 L589 A590 F594 V595 P596 S641	V507-W643 CarbonylContact C-O 3.54Å; V507-W643 WeakPolarHBondContact CA-O 3.43Å; V508-W643 HydrophobicContact CB-CB 4.39Å; V508-W643 PolarHBondContact N-O 3.22Å; V508-W643 PolarHBondContact O-N 3.04Å; W585-W643 HydrophobicContact CZ3-CZ2 4.28Å; R586-W643 HydrophobicContact CB-CH2 3.95Å; R586-W643 HydrophobicContact CB-CZ2 4.01Å; R586-W643 HydrophobicContact CG-CZ2 4.07Å; R586-W643 VanDerWaalsContact O-CH2 3.32Å; R586-W643 WeakPolarHBondContact O-CH2 3.35Å; L589-W643 HydrophobicContact CB-CD2 4.16Å; L589-W643 HydrophobicContact CB-CE3 3.91Å; L589-W643 HydrophobicContact CB-CH2 4.17Å; L589-W643 HydrophobicContact CB-CZ2 4.4Å; L589-W643 HydrophobicContact CB-CZ3 3.92Å; L589-W643 HydrophobicContact CD1-CD2 4.01Å; L589-W643 HydrophobicContact CD1-CG 4.3Å; L589-W643 HydrophobicContact CD1-CZ2 3.98Å; L589-W643 HydrophobicContact CD2-CD2 4.45Å; L589-W643 HydrophobicContact CD2-CG 4.35Å; L589-W643 HydrophobicContact CG-CD2 4.45Å; A590-W643 HydrophobicContact CB-CZ3 4.45Å; F594-W643 HydrophobicContact CB-CB 4.21Å; F594-W643 HydrophobicContact CB-CE3 4.3Å; V595-W643 CarbonylContact O-C 3.57Å; V595-W643 VanDerWaalsContact O-CA 3.31Å; V595-W643 WeakPolarHBondContact O-CA 3.34Å; P596-W643 HydrophobicContact CB-CD2 4.3Å; P596-W643 HydrophobicContact CB-CE3 3.84Å; P596-W643 HydrophobicContact CB-CH2 4.19Å; P596-W643 HydrophobicContact CB-CZ3 3.78Å; P596-W643 HydrophobicContact CG-CE3 4.41Å; P596-W643 HydrophobicContact CG-CZ3 4.1Å; S641-W643 PolarHBondContact OG-NE1 3.2Å
644	R	96.9	Very high	95.6	Very high	109 Å²	109	41.1 Å²	41.1	41%	0.411	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	141.3	174	-157.5	171.5	-63.6	113.4	-0.7	109.8	E385 K506 F594 V595 V597	E385-R644 IonicContact OE1-CZ 2.76Å; E385-R644 IonicContact OE1-NE 3.52Å; E385-R644 IonicContact OE1-NH2 3.33Å; E385-R644 PolarHBondContact OE1-NH2 3.48Å; E385-R644 IonicContact OE2-CZ 2.7Å; E385-R644 VanDerWaalsContact OE2-CZ 3.28Å; E385-R644 IonicContact OE2-NE 3.59Å; E385-R644 PolarHBondContact OE2-NE 3.09Å; E385-R644 IonicContact OE2-NH2 2.69Å; E385-R644 PolarHBondContact OE2-NH2 3.41Å; K506-R644 WeakPolarHBondContact O-CA 3.47Å; K506-R644 WeakPolarHBondContact O-CG 3.48Å; F594-R644 CarbonylContact C-O 3.55Å; F594-R644 WeakPolarHBondContact CA-O 3.46Å; V595-R644 PolarHBondContact N-O 3.33Å; V595-R644 PolarHBondContact O-N 2.94Å; V597-R644 HydrophobicContact CG2-CB 4.13Å
645	C	92.4	Very high	96	Very high	58 Å²	58	23.2 Å²	23.2	39%	0.392	12%	0.123	S	C	.	.			trans	-78.5	0	-176.4	-168.9	0	0	0	0	113.7	K501 A505 F594	K501-C645 WeakPolarHBondContact CE-OXT 3.48Å; K501-C645 PolarHBondContact NZ-OXT 2.93Å; A505-C645 WeakPolarHBondContact O-CB 3.41Å; F594-C645 HydrophobicContact CD1-CB 4.23Å; F594-C645 HydrophobicContact CE1-CB 3.93Å

Retrieved 645 of 645 residues in 150.4 ms (Link to these results)

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