A0A096MQY5_PAPAN Loading...

Piwi-like protein 2

AlphaFold DB , UniProt , Accession A0A096MQY5, Species PAPAN (Papio anubis, Olive baboon), Gene PIWIL2, Length 973 aa.

						>A0A096MQY5_PAPAN|A0A096MQY5|PIWIL2
MDPFRPSFRGQSPVHPSQCQAVRMPGCWLQASKPLDPALGRGVPAGRGHVFGKPEEPSTQRGPAQRESVGLVSMFRGLGIETVSKTPLKREVPPSGRGILGRGLSANLVRKDKEELSPTFWDPKVLAAGDSKMAEASVGWNRMLGRGSSDASLLPLGRAAGGIGRGVDKPPCAFSAPFQDPRQLSSLPALPQSPLHSPDRPLVLTVEHKEKELIVKQGSKGTPQSLGLNLIKIQCHNEAVYQYHVTFSPNVECKSMRFGMLKDHQAITGSVTAFDGSILYLPVKLQQVLELKSQRKTDSAEISIKIQMTKILEPCSDLCIPFYNVVFRRVMKLLDMKLVGRNFYDPTSAMVLQQHRLQIWPGYAASIRRTDGGLFLLADVSHKVIRNDSVLDVMHAIYQQNKEHFQDECTKLLVGNIVITRYNNRTYRIDDVDWNKTPKDSFTMSDGKEITFLEYYSKNYGITIKEEDQPLLIHRPSERQNNHGMLLKGEILLLPELSFMTGIPEKMKKDFRAMKDLAQQINLSPKQHHSALECLLQRIAKNEAATNELMRWGLRLQKDVHKIEGRVLPMERINFKNTSFITSQELNWVKEVTRDPSILTIPMHFWALFYPKRAMDQARELVNMLEKIAGPIGMHMSPPAWVELKDDRIETYVRTIQSMLGAEGKIQMVVCIIMGTRDDLYGAIKKLCCVQSPVPSQVVNVRTIGQPTRLRSVAQKILLQINCKLGGELWGVDIPLKQLMVIGMDVYHDPSRGMRSVVGFVASINLTLTKWYSRVVFQMPHQEIVDSLKLCLVGSLKKFYEVNHCLPEKIVVYRDGVSDGQLKTVANYEIPQLQKCFEAFENYQPKMVVFVVQKKISTNLYLAAPQHFVTPTPGTVVDHTITSCEWVDFYLLAHHVRQGCGIPTHYVCVLNTANLSPDHMQRLTFKLCHMYWNWPGTIRVPAPCKYAHKLAFLSGHILHHEPAIQLCENLFFL
					

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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	33.1	Very low	32.2	Very low	251 Å²	251	143.9 Å²	143.9	100%	1.236	74%	0.735	S	S	*	*				0	122.8	0	-75.5	-160.6	-176.4	0	0	106.8
2	D	28.4	Very low	31.9	Very low	150 Å²	150	140.6 Å²	140.6	80%	0.802	74%	0.735	S	S	*	*			trans	-139.4	126.6	-175.6	-153.2	-6.1	0	0	0	106.6	F4	D2-F4 PolarHBondContact O-N 2.83Å
3	P	31.7	Very low	31.8	Very low	111 Å²	111	140 Å²	140	72%	0.721	74%	0.744	S	S	*	*	S	Bend	trans	-95.2	15	-156.2	35.8	-34.1	0	0	0	116.3
4	F	32.4	Very low	31.5	Very low	195 Å²	195	139.6 Å²	139.6	86%	0.855	75%	0.75	S	S	*	*			trans	-119.3	89.8	177.4	-75.3	-84.8	0	0	0	112	D2	D2-F4 PolarHBondContact O-N 2.83Å
5	R	33.9	Very low	31.2	Very low	187 Å²	187	142.1 Å²	142.1	71%	0.706	75%	0.754	S	S	*	*			trans	-131.7	129.7	162.5	-77.8	-171.8	-179.4	-163.1	-2.6	109.5
6	P	30.5	Very low	31.4	Very low	129 Å²	129	140.3 Å²	140.3	84%	0.838	75%	0.753	S	S	*	*			trans	-68.3	145.3	166.7	6.6	5.1	0	0	0	109.9
7	S	30.7	Very low	31.1	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	76%	0.755	S	S	*	*			trans	-86.3	124.4	178.1	45.6	0	0	0	0	110.5	R9	S7-R9 PolarHBondContact O-N 3.22Å
8	F	38.4	Very low	30.9	Very low	35 Å²	35	140.8 Å²	140.8	15%	0.154	76%	0.759	C	S	.	*			trans	-68.3	107.1	170.5	-165.4	-96.3	0	0	0	108.8	G10 L391 H395 Y398	F8-G10 PolarHBondContact O-N 3.12Å; F8-L391 HydrophobicContact CZ-CD1 4.26Å; F8-H395 AromaticContact CE1-CD2 3.48Å; F8-H395 VanDerWaalsContact CE1-CD2 3.48Å; F8-H395 WeakPolarHBondContact CE1-CD2 3.22Å; F8-H395 AromaticContact CE1-NE2 3.49Å; F8-H395 WeakPolarHBondContact CE1-NE2 3.36Å; F8-H395 AromaticContact CZ-CD2 3.62Å; F8-H395 AromaticContact CZ-NE2 3.39Å; F8-H395 WeakPolarHBondContact CZ-NE2 3.4Å; F8-Y398 HydrophobicContact CB-CE2 4.35Å; F8-Y398 HydrophobicContact CD1-CD1 4.5Å; F8-Y398 HydrophobicContact CD1-CE1 4.46Å; F8-Y398 PolarHBondContact O-OH 3.42Å
9	R	37.1	Very low	30.6	Very low	192 Å²	192	139.1 Å²	139.1	73%	0.725	76%	0.758	S	S	*	*			trans	-92.3	93.9	-178.3	-80.5	-169.7	-179.4	-161.4	1.9	110.8	S7 Q11	S7-R9 PolarHBondContact O-N 3.22Å; R9-Q11 PolarHBondContact O-N 2.81Å
10	G	29.8	Very low	30.2	Very low	50 Å²	50	141.6 Å²	141.6	52%	0.515	76%	0.764	S	S	.	*	P	Polyproline II helix	trans	-72.4	122.9	160.6	0	0	0	0	0	110.1	F8	F8-G10 PolarHBondContact O-N 3.12Å
11	Q	28.1	Very low	30	Very low	191 Å²	191	139.1 Å²	139.1	89%	0.893	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-73.1	128.4	171.5	-70.1	-172.7	-0.7	0	0	110.8	R9	R9-Q11 PolarHBondContact O-N 2.81Å
12	S	28.8	Very low	29.6	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83.8	145.4	163.6	-60.8	0	0	0	0	109.8	V14	S12-V14 PolarHBondContact O-N 3.33Å
13	P	30.3	Very low	29.3	Very low	133 Å²	133	137.4 Å²	137.4	86%	0.864	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.6	-177.1	30	-31.4	0	0	0	110.6
14	V	27.6	Very low	28.8	Very low	135 Å²	135	140.5 Å²	140.5	82%	0.818	75%	0.753	S	S	*	*			trans	-110.6	118.8	174.1	175.2	0	0	0	0	109.6	S12	S12-V14 PolarHBondContact O-N 3.33Å
15	H	27.9	Very low	29.1	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.815	75%	0.749	S	S	*	*			trans	-65.5	149.2	161.7	-90.7	-79.4	0	0	0	110.8
16	P	34.3	Very low	28.7	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	75%	0.75	S	S	*	*			trans	-84.9	131.5	-179.6	33.1	-29.6	0	0	0	111.2
17	S	25.9	Very low	28.3	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	74%	0.744	S	S	*	*				166.4	143.4	117.7	51.1	0	0	0	0	114.5
18	Q	27	Very low	28	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	75%	0.753	S	S	*	*			trans	88.7	113	153.3	-74.3	-178.8	0.4	0	0	123.1
19	C	24.9	Very low	27.4	Very low	109 Å²	109	140.1 Å²	140.1	74%	0.736	77%	0.774	S	S	*	*			trans	83.1	104.1	130.2	-65.7	0	0	0	0	122.1
20	Q	24.4	Very low	26.8	Very low	189 Å²	189	139.5 Å²	139.5	88%	0.883	78%	0.78	S	S	*	*				55.5	113.1	124.9	-80	-175.8	-8.6	0	0	121.9
21	A	25.2	Very low	26.5	Very low	90 Å²	90	141.4 Å²	141.4	74%	0.744	79%	0.791	S	S	*	*				111.4	138.3	114.1	0	0	0	0	0	120.7
22	V	24.4	Very low	26.4	Very low	133 Å²	133	137.6 Å²	137.6	81%	0.806	79%	0.785	S	S	*	*			trans	105	104.7	147	-165.2	0	0	0	0	120.5
23	R	22	Very low	26.2	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	79%	0.792	S	S	*	*			trans	32.6	119.1	136.2	-69	179.1	169	177.3	-3.6	123.1
24	M	20.5	Very low	27.2	Very low	176 Å²	176	140.9 Å²	140.9	87%	0.867	78%	0.783	S	S	*	*				39.5	164.6	107.5	-69.9	-81.3	178.1	0	0	121
25	P	40.2	Very low	27.1	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	79%	0.785	S	S	*	*			cis	-148.6	-175.4	-31.9	40	-20.4	0	0	0	116.5
26	G	24.3	Very low	27	Very low	71 Å²	71	141 Å²	141	73%	0.732	78%	0.784	S	S	*	*			trans	118	151.9	147.4	0	0	0	0	0	116.7
27	C	23.3	Very low	27.8	Very low	104 Å²	104	141.2 Å²	141.2	70%	0.703	79%	0.786	S	S	*	*			cis	179	141.8	-9.3	-122.1	0	0	0	0	110.2
28	W	24.5	Very low	27.9	Very low	220 Å²	220	139.9 Å²	139.9	83%	0.833	78%	0.782	S	S	*	*			trans	57.5	158.9	147.6	-61.5	117.1	0	0	0	121.5
29	L	24.8	Very low	28	Very low	116 Å²	116	140.2 Å²	140.2	61%	0.607	79%	0.788	S	S	*	*			cis	-168.2	159.8	-1	-111.5	157.7	0	0	0	111
30	Q	24.6	Very low	28	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	79%	0.792	S	S	*	*			trans	105.4	138.2	133.9	-97.7	164.5	0.6	0	0	124.4
31	A	24.3	Very low	28.2	Very low	90 Å²	90	142.3 Å²	142.3	74%	0.744	80%	0.798	S	S	*	*			trans	-96.6	175.9	-168.6	0	0	0	0	0	112.7
32	S	24.6	Very low	28.2	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	80%	0.801	S	S	*	*				171.8	139	58.2	40.6	0	0	0	0	112.7
33	K	25	Very low	28.3	Very low	202 Å²	202	142 Å²	142	88%	0.878	80%	0.802	S	S	*	*				40.3	171	128.1	-86.9	-170.9	-179.5	-176.1	0	123.6
34	P	50.9	Low	29.2	Very low	103 Å²	103	136.8 Å²	136.8	67%	0.669	80%	0.798	S	S	*	*				-145.5	-166.2	-69	39.8	-15.8	0	0	0	115.4
35	L	25.9	Very low	29.6	Very low	163 Å²	163	133.4 Å²	133.4	85%	0.853	80%	0.798	S	S	*	*			trans	127.9	137.9	144.1	-81.1	144.7	0	0	0	121
36	D	26.5	Very low	28.9	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	80%	0.802	S	S	*	*			trans	-77.9	-162	-177.4	-86.2	-36.2	0	0	0	116.4
37	P	51.6	Low	29	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	81%	0.814	S	S	*	*			cis	-139.8	-175.7	-34.1	30	-7.8	0	0	0	115.8
38	A	27.8	Very low	29	Very low	84 Å²	84	139.3 Å²	139.3	69%	0.694	82%	0.817	S	S	*	*				136.5	129.5	127.5	0	0	0	0	0	121.8
39	L	28.7	Very low	29.1	Very low	184 Å²	184	137.5 Å²	137.5	96%	0.963	82%	0.817	S	S	*	*			trans	56.2	142.1	132	-76.5	155.2	0	0	0	127.3
40	G	24.9	Very low	29.1	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	82%	0.82	S	S	*	*			trans	164.5	130.8	149.2	0	0	0	0	0	119.3
41	R	28.1	Very low	29.2	Very low	263 Å²	263	138.6 Å²	138.6	99%	0.992	82%	0.823	S	S	*	*			trans	-96.2	169.6	-173	-79	179	171	-161.6	-1.4	115.8
42	G	24.9	Very low	29.2	Very low	79 Å²	79	137.7 Å²	137.7	81%	0.814	82%	0.823	S	S	*	*			trans	167.3	133.4	146	0	0	0	0	0	118.5
43	V	27.9	Very low	29.2	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	83%	0.829	S	S	*	*			trans	-127.9	156	172	-172.8	0	0	0	0	107.6
44	P	40.9	Very low	29.3	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	83%	0.826	S	S	*	*				-156.5	153.1	98.1	36.3	-14.3	0	0	0	119.5
45	A	27.2	Very low	28	Very low	105 Å²	105	142.8 Å²	142.8	87%	0.868	84%	0.837	S	S	*	*			trans	38.9	142.2	137	0	0	0	0	0	127.4
46	G	25.6	Very low	27.9	Very low	82 Å²	82	144.1 Å²	144.1	85%	0.845	84%	0.839	S	S	*	*			trans	-178.8	136.6	156.2	0	0	0	0	0	114.7
47	R	26.4	Very low	27.8	Very low	262 Å²	262	142.7 Å²	142.7	99%	0.989	84%	0.837	S	S	*	*			trans	-88.2	164.4	-161.3	-69.2	173.4	169.3	-172.8	-2.8	117.5
48	G	24.7	Very low	26.4	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	84%	0.84	S	S	*	*			trans	153.9	106.9	141.8	0	0	0	0	0	120.7
49	H	25.7	Very low	26.2	Very low	181 Å²	181	145.4 Å²	145.4	84%	0.838	85%	0.849	S	S	*	*			trans	21.7	126.1	153.9	-71.4	-71.4	0	0	0	124.4
50	V	25.8	Very low	25.9	Very low	109 Å²	109	145.8 Å²	145.8	66%	0.661	85%	0.845	S	S	*	*				91.4	137.1	70.6	-178.6	0	0	0	0	115.8
51	F	25.4	Very low	25.8	Very low	210 Å²	210	153.2 Å²	153.2	92%	0.921	85%	0.848	S	S	*	*			trans	80	137.1	173.1	-70	-68.5	0	0	0	117.6
52	G	24	Very low	25.5	Very low	72 Å²	72	143.8 Å²	143.8	74%	0.742	83%	0.833	S	S	*	*			cis	-178.3	156.8	1.7	0	0	0	0	0	108.7
53	K	25.3	Very low	25.5	Very low	206 Å²	206	146.4 Å²	146.4	90%	0.896	84%	0.836	S	S	*	*			trans	-70.2	161.2	176.6	-77.5	-177.2	172.9	-178.2	0	112.1
54	P	27.8	Very low	25.2	Very low	127 Å²	127	144.5 Å²	144.5	83%	0.825	83%	0.834	S	S	*	*				-140.5	174.2	102.7	33.2	-15.7	0	0	0	115.4
55	E	23.3	Very low	24.3	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-74.2	155	-159.9	-61.8	166.5	138.5	0	0	116.9
56	E	24.1	Very low	24.2	Very low	191 Å²	191	154.8 Å²	154.8	89%	0.893	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-91.4	147.3	166.1	-70.9	-178.4	151.9	0	0	111.3
57	P	24.4	Very low	24.2	Very low	120 Å²	120	159.7 Å²	159.7	78%	0.779	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-94.8	136.8	160	33.9	-25.9	0	0	0	111.9
58	S	21.9	Very low	24.3	Very low	118 Å²	118	151 Å²	151	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-61.5	144.7	173.7	53.9	0	0	0	0	114.3
59	T	23.5	Very low	24.7	Very low	143 Å²	143	152.2 Å²	152.2	88%	0.877	82%	0.816	S	S	*	*			trans	-139.9	133.5	158.1	-33.9	0	0	0	0	112
60	Q	21.9	Very low	25.2	Very low	192 Å²	192	144.6 Å²	144.6	90%	0.897	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.9	140	-170.6	-65.4	167.4	-18.3	0	0	113.5
61	R	22.8	Very low	25.9	Very low	235 Å²	235	143.1 Å²	143.1	89%	0.887	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-92.5	123.3	167	-84.5	-176.7	179.9	-165.3	-3.5	110.5
62	G	22.8	Very low	26.6	Very low	65 Å²	65	135.2 Å²	135.2	67%	0.67	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-74.7	167.9	162.3	0	0	0	0	0	112.8
63	P	23.1	Very low	27.7	Very low	134 Å²	134	132 Å²	132	87%	0.87	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-78.4	130.6	-164.2	31.5	-32.7	0	0	0	112.4
64	A	22.5	Very low	28.8	Very low	98 Å²	98	122.9 Å²	122.9	81%	0.81	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-77.9	124.7	175.2	0	0	0	0	0	111.5	R66	A64-R66 PolarHBondContact O-N 2.78Å
65	Q	23	Very low	29.9	Very low	197 Å²	197	117.5 Å²	117.5	92%	0.921	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-64.9	121.9	170.2	-80.9	177.8	-28	0	0	110.9
66	R	23.2	Very low	31.1	Very low	246 Å²	246	115 Å²	115	93%	0.928	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-84.9	120.9	171.9	-88.5	178.5	170.4	171.3	-1.6	110	A64	A64-R66 PolarHBondContact O-N 2.78Å
67	E	25.8	Very low	32	Very low	184 Å²	184	107 Å²	107	86%	0.86	59%	0.586	S	S	*	*			trans	-130.3	148.2	163.4	-82.3	-169.5	161.6	0	0	113
68	S	29.8	Very low	33.1	Very low	79 Å²	79	102.3 Å²	102.3	55%	0.552	55%	0.554	S	S	*	*	S	Bend	trans	81.7	27	158.5	100.7	0	0	0	0	122.8	T86	S68-T86 WeakPolarHBondContact O-CG2 3.45Å
69	V	32.9	Very low	34	Very low	100 Å²	100	99.8 Å²	99.8	61%	0.606	55%	0.547	S	S	*	.	S	Bend	trans	-98.6	-17.3	167.4	-177.6	0	0	0	0	113.6	L71	V69-L71 PolarHBondContact O-N 3.4Å
70	G	36.8	Very low	34.8	Very low	21 Å²	21	94.5 Å²	94.5	22%	0.216	51%	0.512	C	S	.	.	H	α-helix	trans	-71	-27.2	-168.2	0	0	0	0	0	116.5	V72 S73 M74	G70-V72 VanDerWaalsContact C-N 3.31Å; G70-V72 PolarHBondContact O-N 2.68Å; G70-S73 PolarHBondContact O-N 2.93Å; G70-S73 PolarHBondContact O-OG 3.17Å; G70-S73 VanDerWaalsContact O-OG 3.13Å; G70-M74 WeakPolarHBondContact O-CG 3.46Å; G70-M74 PolarHBondContact O-N 2.78Å
71	L	40.2	Very low	35.2	Very low	79 Å²	79	94 Å²	94	41%	0.414	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-40.5	-174	-115.8	170.5	0	0	0	113.3	V69 M74 F75 P321	V69-L71 PolarHBondContact O-N 3.4Å; L71-M74 PolarHBondContact O-N 2.75Å; L71-F75 HydrophobicContact CD2-CE2 4.18Å; L71-F75 HydrophobicContact CD2-CZ 4.47Å; L71-F75 WeakPolarHBondContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CE2 3.21Å; L71-P321 HydrophobicContact CD1-CB 3.92Å; L71-P321 HydrophobicContact CD2-CB 3.34Å; L71-P321 HydrophobicContact CG-CB 3.55Å; L71-P321 HydrophobicContact CG-CG 4.5Å
72	V	39.8	Very low	35.6	Very low	43 Å²	43	85.5 Å²	85.5	26%	0.261	48%	0.484	S	S	.	.	H	α-helix	trans	-70.1	-37.9	-174.5	-177.3	0	0	0	0	111.4	G70 S84	G70-V72 VanDerWaalsContact C-N 3.31Å; G70-V72 PolarHBondContact O-N 2.68Å; V72-S84 VanDerWaalsContact CG1-CB 3.46Å; V72-S84 WeakPolarHBondContact CG1-OG 3.43Å
73	S	46.3	Very low	35.9	Very low	6 Å²	6	88 Å²	88	4%	0.042	49%	0.487	C	S	.	.	H	α-helix	trans	-76.9	-27.8	-179.4	46.3	0	0	0	0	112.1	G70 F75 R76 F258 D275	G70-S73 PolarHBondContact O-N 2.93Å; G70-S73 PolarHBondContact O-OG 3.17Å; G70-S73 VanDerWaalsContact O-OG 3.13Å; S73-F75 PolarHBondContact O-N 2.8Å; S73-R76 PolarHBondContact O-N 3.11Å; S73-R76 VanDerWaalsContact O-N 3.12Å; S73-F258 WeakPolarHBondContact O-CZ 3.49Å; S73-D275 WeakPolarHBondContact CB-O 3.36Å; S73-D275 WeakPolarHBondContact OG-CB 3.4Å; S73-D275 PolarHBondContact OG-O 2.97Å
74	M	48.1	Very low	36.2	Very low	13 Å²	13	83.8 Å²	83.8	6%	0.064	46%	0.46	C	S	.	.	H	α-helix	trans	-54.5	-32.8	171.3	-68.4	-177.4	-147.7	0	0	113.9	G70 L71 R76 G77 L78 F274 D275 Y280 F322	G70-M74 WeakPolarHBondContact O-CG 3.46Å; G70-M74 PolarHBondContact O-N 2.78Å; L71-M74 PolarHBondContact O-N 2.75Å; M74-R76 PolarHBondContact O-N 2.95Å; M74-G77 PolarHBondContact O-N 3.14Å; M74-L78 PolarHBondContact O-N 3.03Å; M74-F274 WeakPolarHBondContact CA-O 3.38Å; M74-D275 HydrophobicContact CB-CB 4.47Å; M74-D275 HydrophobicContact CE-CB 4.14Å; M74-D275 HydrophobicContact CG-CB 3.42Å; M74-D275 VanDerWaalsContact CG-CB 3.42Å; M74-Y280 HydrophobicContact CE-CE2 3.87Å; M74-Y280 HydrophobicContact SD-CE2 4.13Å; M74-F322 HydrophobicContact SD-CB 4.13Å
75	F	50.9	Low	36.4	Very low	14 Å²	14	87 Å²	87	6%	0.061	46%	0.456	C	S	.	.	H	α-helix	trans	-63.6	-36.9	178.7	-68	-83.5	0	0	0	113	L71 S73 L78 G79 I80 V325	L71-F75 HydrophobicContact CD2-CE2 4.18Å; L71-F75 HydrophobicContact CD2-CZ 4.47Å; L71-F75 WeakPolarHBondContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CE2 3.21Å; S73-F75 PolarHBondContact O-N 2.8Å; F75-L78 PolarHBondContact O-N 3.28Å; F75-G79 PolarHBondContact O-N 3.22Å; F75-I80 CarbonylContact C-O 3.52Å; F75-I80 VanDerWaalsContact C-O 3.25Å; F75-I80 HydrophobicContact CB-CB 4.15Å; F75-I80 HydrophobicContact CB-CG2 4.36Å; F75-I80 HydrophobicContact CD1-CB 4.36Å; F75-I80 HydrophobicContact CD1-CD1 4.41Å; F75-I80 HydrophobicContact CD1-CG2 4.07Å; F75-I80 WeakPolarHBondContact O-CA 3.48Å; F75-I80 WeakPolarHBondContact O-CB 3.47Å; F75-I80 PolarHBondContact O-N 3.3Å; F75-I80 VanDerWaalsContact O-O 3.08Å; F75-V325 HydrophobicContact CD1-CB 4.21Å; F75-V325 HydrophobicContact CD1-CG1 3.52Å; F75-V325 HydrophobicContact CD1-CG2 3.78Å; F75-V325 HydrophobicContact CE1-CB 3.91Å; F75-V325 HydrophobicContact CE1-CG1 3.7Å; F75-V325 HydrophobicContact CE1-CG2 3.33Å; F75-V325 HydrophobicContact CE2-CG2 4.15Å; F75-V325 HydrophobicContact CG-CG1 4.38Å; F75-V325 HydrophobicContact CG-CG2 4.36Å; F75-V325 HydrophobicContact CZ-CG2 3.51Å
76	R	48.4	Very low	36.7	Very low	138 Å²	138	81.6 Å²	81.6	52%	0.521	44%	0.436	S	S	.	.	H	α-helix	trans	-70.3	-34.5	-178.6	-72.8	-170.1	-172.5	-159.1	2.4	112.3	S73 M74 L78 G79 F258	S73-R76 PolarHBondContact O-N 3.11Å; S73-R76 VanDerWaalsContact O-N 3.12Å; M74-R76 PolarHBondContact O-N 2.95Å; R76-L78 VanDerWaalsContact C-N 3.29Å; R76-L78 PolarHBondContact O-N 2.91Å; R76-G79 PolarHBondContact O-N 3.11Å; R76-F258 HydrophobicContact CB-CD1 4.43Å; R76-F258 HydrophobicContact CB-CD2 3.63Å; R76-F258 HydrophobicContact CB-CE1 4.35Å; R76-F258 HydrophobicContact CB-CE2 3.55Å; R76-F258 HydrophobicContact CB-CG 4.13Å; R76-F258 HydrophobicContact CB-CZ 3.95Å; R76-F258 HydrophobicContact CG-CE2 4.49Å
77	G	44.2	Very low	36.7	Very low	23 Å²	23	75.6 Å²	75.6	24%	0.237	43%	0.429	C	S	.	.	H	α-helix	trans	-68.5	-28.4	176.5	0	0	0	0	0	113.9	M74 G79 F258	M74-G77 PolarHBondContact O-N 3.14Å; G77-G79 VanDerWaalsContact C-N 3.33Å; G77-F258 VanDerWaalsContact N-CD1 3.28Å
78	L	46.9	Very low	36.6	Very low	20 Å²	20	74 Å²	74	11%	0.105	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8	175.2	-71.9	163.5	0	0	0	113.3	M74 F75 R76 T272 A273 V325	M74-L78 PolarHBondContact O-N 3.03Å; F75-L78 PolarHBondContact O-N 3.28Å; R76-L78 VanDerWaalsContact C-N 3.29Å; R76-L78 PolarHBondContact O-N 2.91Å; L78-T272 WeakPolarHBondContact CD2-O 3.46Å; L78-A273 HydrophobicContact CD1-CB 4.09Å; L78-A273 HydrophobicContact CG-CB 4.46Å; L78-V325 HydrophobicContact CB-CG1 4.35Å; L78-V325 HydrophobicContact CD1-CB 4Å; L78-V325 HydrophobicContact CD1-CG1 3.53Å
79	G	41.4	Very low	36.3	Very low	66 Å²	66	79.6 Å²	79.6	68%	0.68	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	26.1	177.8	0	0	0	0	0	115.2	F75 R76 G77	F75-G79 PolarHBondContact O-N 3.22Å; R76-G79 PolarHBondContact O-N 3.11Å; G77-G79 VanDerWaalsContact C-N 3.33Å
80	I	39.4	Very low	35.9	Very low	31 Å²	31	85.3 Å²	85.3	16%	0.159	45%	0.451	C	S	.	.			trans	-115.6	117.7	-178.8	-58.5	173.6	0	0	0	110.3	F75 T82 V325	F75-I80 CarbonylContact C-O 3.52Å; F75-I80 VanDerWaalsContact C-O 3.25Å; F75-I80 HydrophobicContact CB-CB 4.15Å; F75-I80 HydrophobicContact CB-CG2 4.36Å; F75-I80 HydrophobicContact CD1-CB 4.36Å; F75-I80 HydrophobicContact CD1-CD1 4.41Å; F75-I80 HydrophobicContact CD1-CG2 4.07Å; F75-I80 WeakPolarHBondContact O-CA 3.48Å; F75-I80 WeakPolarHBondContact O-CB 3.47Å; F75-I80 PolarHBondContact O-N 3.3Å; F75-I80 VanDerWaalsContact O-O 3.08Å; I80-T82 HydrophobicContact CG2-CG2 3.97Å; I80-V325 HydrophobicContact CD1-CG1 3.59Å
81	E	31.7	Very low	35.1	Very low	183 Å²	183	92.1 Å²	92.1	86%	0.855	48%	0.477	S	S	*	.			trans	-84.5	110.3	168.2	-69.4	-171.1	159.3	0	0	110.5
82	T	29.2	Very low	34.3	Very low	55 Å²	55	94.9 Å²	94.9	34%	0.337	50%	0.497	S	S	.	.			trans	-143.6	157.4	167.6	52.6	0	0	0	0	113	I80	I80-T82 HydrophobicContact CG2-CG2 3.97Å
83	V	31.1	Very low	33.5	Very low	119 Å²	119	98.1 Å²	98.1	72%	0.721	52%	0.519	S	S	*	.			trans	-115.1	120.6	-162.9	154	0	0	0	0	107.9
84	S	27.4	Very low	32.4	Very low	44 Å²	44	104 Å²	104	31%	0.308	56%	0.556	S	S	.	*			trans	-99.6	160.3	-163.8	55.7	0	0	0	0	117	V72 R479	V72-S84 VanDerWaalsContact CG1-CB 3.46Å; V72-S84 WeakPolarHBondContact CG1-OG 3.43Å; S84-R479 PolarHBondContact O-NH2 2.86Å
85	K	28.7	Very low	31.2	Very low	167 Å²	167	109.6 Å²	109.6	73%	0.726	60%	0.597	S	S	*	*			trans	-129.9	137.5	160	-74.9	-171.7	178.8	-169.2	0	109.3
86	T	27.3	Very low	29.9	Very low	82 Å²	82	112.3 Å²	112.3	50%	0.503	63%	0.629	S	S	.	*			trans	-136.8	152.6	169.8	27.9	0	0	0	0	109.8	S68	S68-T86 WeakPolarHBondContact O-CG2 3.45Å
87	P	23.6	Very low	28.6	Very low	121 Å²	121	117.7 Å²	117.7	79%	0.786	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-88.4	142.9	-172.6	30.7	-23.7	0	0	0	112.8
88	L	24.9	Very low	27.6	Very low	149 Å²	149	119.9 Å²	119.9	78%	0.78	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-97.7	130.9	178.5	-94.4	132.6	0	0	0	111.5
89	K	22.4	Very low	26.4	Very low	197 Å²	197	127.2 Å²	127.2	86%	0.857	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-88.7	140.5	153.6	-78.4	-179.8	174.6	178.8	0	108.3
90	R	25.2	Very low	25.5	Very low	221 Å²	221	131.9 Å²	131.9	83%	0.834	72%	0.718	S	S	*	*			trans	-155.7	149.9	154.1	-129.3	176.6	-179.2	178	-0.4	114.1
91	E	20.3	Very low	24.7	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.762	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.9	157.4	-170.9	-64.5	160.2	146.3	0	0	114.2
92	V	23.9	Very low	24.3	Very low	138 Å²	138	137 Å²	137	84%	0.836	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-88.3	135.9	-177.8	176	0	0	0	0	111.1
93	P	22.8	Very low	23.9	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-101.4	162	156.6	31.5	-20.6	0	0	0	112.4
94	P	21.8	Very low	23.6	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-87.4	170.7	-152.1	34.9	-35.4	0	0	0	115.4
95	S	24.6	Very low	23.3	Very low	131 Å²	131	143.9 Å²	143.9	92%	0.916	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.7	151.7	-173.4	-60.9	0	0	0	0	116.1
96	G	21.7	Very low	23.1	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	80%	0.804	S	S	*	*			trans	-164.2	111.4	162.7	0	0	0	0	0	114.3
97	R	23	Very low	22.8	Very low	252 Å²	252	143.6 Å²	143.6	95%	0.951	82%	0.817	S	S	*	*			trans	28.7	117.4	145.9	-58.2	177.9	-179.5	-166.6	-0.8	117.3
98	G	21.5	Very low	22.8	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	83%	0.825	S	S	*	*				84.5	114.3	59.2	0	0	0	0	0	111.3
99	I	23.4	Very low	22.7	Very low	174 Å²	174	145.7 Å²	145.7	89%	0.892	83%	0.826	S	S	*	*			trans	-165.8	138.1	156.5	-93.2	143.6	0	0	0	111.2
100	L	22.3	Very low	22.8	Very low	164 Å²	164	146.9 Å²	146.9	86%	0.859	83%	0.825	S	S	*	*			trans	-52.2	149.9	170.7	-80	72.7	0	0	0	112.5
101	G	21.7	Very low	22.7	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	83%	0.828	S	S	*	*				94.2	114	61.6	0	0	0	0	0	111.1
102	R	24.2	Very low	22.8	Very low	254 Å²	254	144.8 Å²	144.8	96%	0.958	83%	0.826	S	S	*	*			trans	159.2	120.5	160.9	-91.8	170.9	-160	-125.9	6.9	106.3
103	G	20.7	Very low	22.8	Very low	71 Å²	71	146.8 Å²	146.8	73%	0.732	82%	0.823	S	S	*	*			cis	88	86.6	25.4	0	0	0	0	0	109.6
104	L	24.9	Very low	22.8	Very low	183 Å²	183	149.2 Å²	149.2	96%	0.958	83%	0.825	S	S	*	*			trans	-155.5	119.6	160.5	-97	170.8	0	0	0	110.4
105	S	20.7	Very low	22.7	Very low	108 Å²	108	152 Å²	152	76%	0.755	83%	0.827	S	S	*	*			trans	-96.9	142	168.6	176.6	0	0	0	0	107.9
106	A	24.3	Very low	22.6	Very low	98 Å²	98	154.3 Å²	154.3	81%	0.81	83%	0.828	S	S	*	*			trans	-169	133.9	147.7	0	0	0	0	0	112
107	N	21.1	Very low	22.5	Very low	144 Å²	144	155.9 Å²	155.9	77%	0.77	83%	0.827	S	S	*	*			trans	-63.7	152.6	175.7	-62.3	-55.4	0	0	0	113.4
108	L	24.6	Very low	22.5	Very low	183 Å²	183	149.4 Å²	149.4	96%	0.958	82%	0.818	S	S	*	*			trans	-154.1	143.1	142.4	-114.6	129.7	0	0	0	112.6
109	V	22.7	Very low	22.5	Very low	132 Å²	132	152.2 Å²	152.2	80%	0.8	82%	0.822	S	S	*	*			trans	-90	158.1	-163.4	166.1	0	0	0	0	112.4
110	R	23	Very low	22.3	Very low	222 Å²	222	153 Å²	153	84%	0.838	82%	0.819	S	S	*	*			trans	-39.9	155.3	179.8	-65.9	176.3	170.9	175.1	-3.3	119.2
111	K	23.1	Very low	22.2	Very low	206 Å²	206	157.6 Å²	157.6	90%	0.896	83%	0.825	S	S	*	*			trans	-153.2	144.9	133.4	-131.3	176.2	-178.7	179.8	0	112.3
112	D	22.8	Very low	22.2	Very low	133 Å²	133	161 Å²	161	71%	0.711	83%	0.827	S	S	*	*			trans	-87.2	176.7	-164.1	-64	-60.1	0	0	0	116.8
113	K	23.6	Very low	22.4	Very low	180 Å²	180	153.2 Å²	153.2	78%	0.783	81%	0.809	S	S	*	*			trans	85.8	142.7	156.3	-67.4	178.2	161.5	-145.8	0	116.5
114	E	23.3	Very low	22.4	Very low	163 Å²	163	158.8 Å²	158.8	76%	0.762	81%	0.813	S	S	*	*			cis	-161.6	155.6	17.6	-125.4	153.9	-152.8	0	0	108.9
115	E	20.2	Very low	22.3	Very low	187 Å²	187	156 Å²	156	87%	0.874	80%	0.804	S	S	*	*			trans	-73.5	158.8	178.3	-71	176.5	138.3	0	0	113.5
116	L	21.9	Very low	22.4	Very low	179 Å²	179	158.7 Å²	158.7	94%	0.937	81%	0.809	S	S	*	*			trans	-162.1	121.1	144	-99	161.9	0	0	0	110.6
117	S	19.2	Very low	22.3	Very low	103 Å²	103	158 Å²	158	72%	0.72	80%	0.803	S	S	*	*			trans	-84.4	161	168.6	57.2	0	0	0	0	111.8
118	P	24.2	Very low	22.4	Very low	117 Å²	117	154.2 Å²	154.2	76%	0.76	79%	0.792	S	S	*	*				-149.3	147.3	97.5	29.2	-7	0	0	0	118
119	T	20.6	Very low	22.2	Very low	127 Å²	127	146.8 Å²	146.8	78%	0.779	76%	0.76	S	S	*	*			trans	27.6	115.3	142	44.3	0	0	0	0	124.8
120	F	19.1	Very low	22.3	Very low	191 Å²	191	145.9 Å²	145.9	84%	0.838	75%	0.751	S	S	*	*				22.5	132.6	128.9	-81.1	-89.9	0	0	0	123.3
121	W	20.5	Very low	22.3	Very low	261 Å²	261	137.9 Å²	137.9	99%	0.989	73%	0.729	S	S	*	*				-155.4	141	120.9	-95.4	15.6	0	0	0	110.7
122	D	21.3	Very low	22.4	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	72%	0.719	S	S	*	*			trans	-118.5	-179.7	-178	-149.3	9.4	0	0	0	107
123	P	29.4	Very low	22.4	Very low	91 Å²	91	133.4 Å²	133.4	59%	0.591	71%	0.705	S	S	*	*			cis	-138.1	170.3	-10.5	26.3	-1.6	0	0	0	115.9
124	K	19.3	Very low	22.3	Very low	188 Å²	188	128.1 Å²	128.1	82%	0.817	70%	0.695	S	S	*	*				142.7	142.7	124.7	-73.7	-179.8	-177.9	174.3	0	114.8
125	V	23.4	Very low	22.3	Very low	124 Å²	124	126.4 Å²	126.4	75%	0.752	69%	0.687	S	S	*	*			trans	101.5	87.2	153.8	-163.2	0	0	0	0	118.7
126	L	22.9	Very low	22.4	Very low	165 Å²	165	121.2 Å²	121.2	86%	0.864	68%	0.676	S	S	*	*				48.4	117.4	119.2	-57.7	167.4	0	0	0	120.7
127	A	23	Very low	22.4	Very low	84 Å²	84	117.7 Å²	117.7	69%	0.694	67%	0.667	S	S	*	*				161.4	156.8	111.5	0	0	0	0	0	113.9	R702	A127-R702 PolarHBondContact O-NH1 2.77Å
128	A	22.4	Very low	22.7	Very low	64 Å²	64	117.4 Å²	117.4	53%	0.529	66%	0.66	S	S	.	*			trans	-71.5	136.6	-167.5	0	0	0	0	0	114.3
129	G	21.4	Very low	22.6	Very low	28 Å²	28	115.4 Å²	115.4	29%	0.289	66%	0.661	S	S	.	*			trans	-120.5	114	177	0	0	0	0	0	111.4	T676	G129-T676 VanDerWaalsContact O-CG2 3.27Å; G129-T676 WeakPolarHBondContact O-CG2 3.35Å
130	D	24.1	Very low	23	Very low	113 Å²	113	114.3 Å²	114.3	60%	0.604	64%	0.643	S	S	*	*			trans	-85.2	110.8	151.3	-83.1	-30.2	0	0	0	106.8	K132 R142	D130-K132 PolarHBondContact O-N 3.43Å; D130-R142 IonicContact OD2-CZ 3.83Å; D130-R142 IonicContact OD2-NH1 3.96Å; D130-R142 IonicContact OD2-NH2 3.79Å; D130-R142 PolarHBondContact OD2-NH2 2.87Å
131	S	22.7	Very low	23.4	Very low	54 Å²	54	109.1 Å²	109.1	38%	0.378	62%	0.624	S	S	.	*			trans	-71	116.8	175.2	-8.3	0	0	0	0	110.3	D678	S131-D678 WeakPolarHBondContact CB-OD1 3.23Å; S131-D678 WeakPolarHBondContact CB-OD2 3.43Å; S131-D678 PolarHBondContact OG-OD1 3.27Å
132	K	24.6	Very low	23.6	Very low	158 Å²	158	104.3 Å²	104.3	69%	0.687	61%	0.605	S	S	*	*			trans	-142.3	122.9	159.2	-78.5	-166.3	175.2	-172.1	0	109.4	D130	D130-K132 PolarHBondContact O-N 3.43Å
133	M	22.8	Very low	23.9	Very low	86 Å²	86	101.4 Å²	101.4	42%	0.424	59%	0.588	S	S	.	*			trans	-132.3	157.3	169.3	-83.5	-148.2	-164.3	0	0	111.8	E505	M133-E505 HydrophobicContact CE-CB 3.46Å; M133-E505 VanDerWaalsContact CE-CB 3.46Å; M133-E505 VanDerWaalsContact CE-CD 3.49Å; M133-E505 HydrophobicContact CE-CG 3.6Å; M133-E505 WeakPolarHBondContact CE-OE2 3.46Å; M133-E505 WeakPolarHBondContact CG-OE2 3.41Å; M133-E505 HydrophobicContact SD-CB 4.24Å; M133-E505 HydrophobicContact SD-CG 3.66Å
134	A	22.2	Very low	23.6	Very low	69 Å²	69	102.7 Å²	102.7	57%	0.57	59%	0.589	S	S	*	*			trans	69.8	126	-174.8	0	0	0	0	0	115.2
135	E	23.8	Very low	23.7	Very low	127 Å²	127	96.5 Å²	96.5	59%	0.593	58%	0.579	S	S	*	*			cis	-153.4	153.4	18	-125.1	172.8	-166.9	0	0	111.4	S137 P750	E135-S137 PolarHBondContact O-N 2.84Å; E135-P750 WeakPolarHBondContact OE1-CG 3.44Å; E135-P750 WeakPolarHBondContact OE2-CG 3.44Å
136	A	22.6	Very low	23.7	Very low	79 Å²	79	102.6 Å²	102.6	65%	0.653	59%	0.589	S	S	*	*			trans	-80.2	101.1	-170.6	0	0	0	0	0	112.6
137	S	20.7	Very low	23.6	Very low	105 Å²	105	98.2 Å²	98.2	73%	0.734	58%	0.583	S	S	*	*			trans	-145.7	104.2	144.4	-58.6	0	0	0	0	105	E135 G139	E135-S137 PolarHBondContact O-N 2.84Å; S137-G139 PolarHBondContact O-N 2.91Å
138	V	25.2	Very low	23.6	Very low	96 Å²	96	99.7 Å²	99.7	58%	0.582	59%	0.589	S	S	*	*			trans	-69.2	93.5	-161.5	177.2	0	0	0	0	110.4	W140	V138-W140 VanDerWaalsContact CA-CD1 3.48Å; V138-W140 HydrophobicContact CG1-CG 3.93Å
139	G	23	Very low	23.6	Very low	75 Å²	75	102 Å²	102	77%	0.773	60%	0.601	S	S	*	*			trans	-116.5	90.9	149.9	0	0	0	0	0	107	S137	S137-G139 PolarHBondContact O-N 2.91Å
140	W	29.4	Very low	23.6	Very low	105 Å²	105	108.3 Å²	108.3	40%	0.398	63%	0.628	S	S	.	*			trans	-100.4	123.8	-172.9	-72.9	47	0	0	0	108.9	V138 I503 K508 M514	V138-W140 VanDerWaalsContact CA-CD1 3.48Å; V138-W140 HydrophobicContact CG1-CG 3.93Å; W140-I503 HydrophobicContact CH2-CD1 3.66Å; W140-I503 HydrophobicContact CZ2-CD1 3.64Å; W140-I503 HydrophobicContact CZ3-CD1 4.3Å; W140-K508 HydrophobicContact CH2-CD 4.04Å; W140-K508 HydrophobicContact CH2-CG 4.18Å; W140-M514 HydrophobicContact CE3-CE 3.79Å; W140-M514 HydrophobicContact CH2-CE 3.96Å; W140-M514 HydrophobicContact CH2-SD 4.24Å; W140-M514 HydrophobicContact CZ3-CE 3.22Å; W140-M514 HydrophobicContact CZ3-SD 3.99Å
141	N	25.8	Very low	23.5	Very low	82 Å²	82	107.6 Å²	107.6	44%	0.439	64%	0.638	S	S	.	*			trans	-145.5	110.9	157.4	-94.2	-21.7	0	0	0	107.4
142	R	25.5	Very low	23.4	Very low	160 Å²	160	111 Å²	111	60%	0.604	66%	0.661	S	S	*	*			trans	-123.3	129.1	167.9	-160.3	176.3	-172.2	-169.7	-2.2	109.7	D130	D130-R142 IonicContact OD2-CZ 3.83Å; D130-R142 IonicContact OD2-NH1 3.96Å; D130-R142 IonicContact OD2-NH2 3.79Å; D130-R142 PolarHBondContact OD2-NH2 2.87Å
143	M	27	Very low	23.3	Very low	76 Å²	76	111 Å²	111	37%	0.374	67%	0.668	S	S	.	*			trans	-70.6	128.2	171.4	-65.6	169.2	158.2	0	0	111	W934	M143-W934 HydrophobicContact CE-CH2 4.27Å; M143-W934 HydrophobicContact CE-CZ2 3.71Å; M143-W934 HydrophobicContact SD-CH2 3.49Å; M143-W934 WeakPolarHBondContact SD-CH2 3.39Å; M143-W934 HydrophobicContact SD-CZ2 3.55Å; M143-W934 VanDerWaalsContact SD-CZ2 3.55Å; M143-W934 HydrophobicContact SD-CZ3 4.12Å
144	L	24.8	Very low	23.3	Very low	118 Å²	118	114.1 Å²	114.1	62%	0.618	69%	0.686	S	S	*	*			trans	-128.7	152.3	153.4	-79.4	163.2	0	0	0	109.3	F511 R897	L144-F511 HydrophobicContact CD1-CD2 3.83Å; L144-F511 HydrophobicContact CD1-CE2 2.99Å; L144-F511 HydrophobicContact CD1-CZ 3.49Å; L144-F511 VanDerWaalsContact CD1-CZ 3.49Å; L144-F511 HydrophobicContact CG-CE2 4.45Å; L144-R897 PolarHBondContact O-NH1 3.06Å; L144-R897 VanDerWaalsContact O-NH1 3.09Å
145	G	21.4	Very low	23.5	Very low	59 Å²	59	115.6 Å²	115.6	61%	0.608	69%	0.69	S	S	*	*			trans	-108.1	166.6	-159.4	0	0	0	0	0	116.6
146	R	23.3	Very low	23.5	Very low	251 Å²	251	117.8 Å²	117.8	95%	0.947	71%	0.705	S	S	*	*			trans	51.8	117.4	157.2	-84.5	-170.6	173.8	-137.6	0.8	119.6
147	G	20.9	Very low	23.6	Very low	73 Å²	73	117.5 Å²	117.5	75%	0.753	71%	0.709	S	S	*	*			trans	-158.6	107.9	145	0	0	0	0	0	108.4
148	S	22.3	Very low	23.8	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	72%	0.72	S	S	*	*				70.1	107.2	125.2	-154.8	0	0	0	0	116.1
149	S	21.5	Very low	23.8	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	74%	0.735	S	S	*	*			trans	-75.5	127.2	166.3	43.5	0	0	0	0	110.4
150	D	21.8	Very low	23.8	Very low	161 Å²	161	126.5 Å²	126.5	86%	0.861	74%	0.738	S	S	*	*			trans	-115.2	120.8	153.2	-85.7	-30.1	0	0	0	108.3
151	A	21.3	Very low	23.6	Very low	98 Å²	98	125.5 Å²	125.5	81%	0.81	76%	0.761	S	S	*	*			trans	-89.3	136.7	175.2	0	0	0	0	0	109.1
152	S	21.8	Very low	23.4	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	77%	0.774	S	S	*	*			trans	-115.4	121.6	156.5	44.2	0	0	0	0	108.7
153	L	21.2	Very low	23.4	Very low	158 Å²	158	126 Å²	126	83%	0.827	79%	0.79	S	S	*	*			trans	-82.4	165	-179.4	-84.7	154.4	0	0	0	111.9
154	L	23.1	Very low	23.4	Very low	153 Å²	153	125.9 Å²	125.9	80%	0.801	81%	0.808	S	S	*	*			trans	114	152.2	152.1	-58	-179.6	0	0	0	115.5
155	P	27.8	Very low	23.4	Very low	100 Å²	100	132.4 Å²	132.4	65%	0.649	82%	0.824	S	S	*	*				-140.8	-163.5	-82.2	33.6	-9.3	0	0	0	113.2
156	L	23.9	Very low	23.6	Very low	173 Å²	173	132.8 Å²	132.8	91%	0.906	83%	0.829	S	S	*	*			trans	87.9	137.1	173.3	-67	111.3	0	0	0	115.8
157	G	23.9	Very low	23.8	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	83%	0.826	S	S	*	*			cis	-173	165.4	9.4	0	0	0	0	0	111.8
158	R	24.4	Very low	24	Very low	253 Å²	253	131 Å²	131	96%	0.955	83%	0.826	S	S	*	*			trans	-58.3	151.4	-176.6	-65.1	168.9	167.2	175.3	-5.2	114.7
159	A	25.2	Very low	24.1	Very low	108 Å²	108	134.6 Å²	134.6	89%	0.893	83%	0.827	S	S	*	*				-165.8	148.4	127.6	0	0	0	0	0	111.2
160	A	24	Very low	25	Very low	103 Å²	103	134.8 Å²	134.8	85%	0.851	83%	0.825	S	S	*	*			trans	-116.7	169.6	-166.3	0	0	0	0	0	112.3
161	G	24.2	Very low	26.5	Very low	84 Å²	84	132.4 Å²	132.4	87%	0.866	82%	0.819	S	S	*	*			trans	90.5	138.1	160.1	0	0	0	0	0	114.3
162	G	23.3	Very low	26.7	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	82%	0.823	S	S	*	*			cis	155.1	137.1	6.1	0	0	0	0	0	108.9
163	I	25	Very low	26.9	Very low	184 Å²	184	131.4 Å²	131.4	94%	0.944	81%	0.808	S	S	*	*			trans	64.4	124.7	147.2	-51.5	173.8	0	0	0	119.5
164	G	25.5	Very low	27.1	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	81%	0.81	S	S	*	*			trans	177.8	98	157.1	0	0	0	0	0	114.2
165	R	26.1	Very low	27.2	Very low	255 Å²	255	130.6 Å²	130.6	96%	0.962	80%	0.804	S	S	*	*			trans	-51.1	155.1	165.2	-59.9	172.2	176.9	-162.7	-1.9	110.3
166	G	24.4	Very low	27.3	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	81%	0.809	S	S	*	*			cis	138.9	162.3	25.7	0	0	0	0	0	108
167	V	27.6	Very low	28.2	Very low	146 Å²	146	127.9 Å²	127.9	89%	0.885	80%	0.804	S	S	*	*			trans	113.3	135.1	163.4	-169	0	0	0	0	117.6
168	D	25.8	Very low	28.5	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	81%	0.81	S	S	*	*			trans	-80.6	146.5	-156.9	-63	-74.3	0	0	0	118.5
169	K	25.5	Very low	28.6	Very low	190 Å²	190	131.2 Å²	131.2	83%	0.826	81%	0.809	S	S	*	*				20	163	117	-92.2	-172.9	-178.1	179.9	0	120.4
170	P	39.6	Very low	28.8	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	80%	0.804	S	S	*	*			cis	-145.6	-136.5	-12.5	42.8	-17.4	0	0	0	113.7
171	P	53.3	Low	30.5	Very low	112 Å²	112	133 Å²	133	73%	0.727	79%	0.794	S	S	*	*			trans	-125.8	179.3	-132.9	33.4	-7.1	0	0	0	115.4
172	C	25.2	Very low	30.7	Very low	133 Å²	133	139.3 Å²	139.3	90%	0.899	79%	0.792	S	S	*	*			trans	171.7	162.2	153.2	-94.4	0	0	0	0	108.1
173	A	26.2	Very low	31.1	Very low	67 Å²	67	143 Å²	143	55%	0.554	79%	0.791	S	S	*	*			cis	172.7	161.2	-26.2	0	0	0	0	0	105.3
174	F	26.3	Very low	31.2	Very low	198 Å²	198	141.1 Å²	141.1	87%	0.868	78%	0.782	S	S	*	*			trans	77.8	148.1	165.9	-61.7	-78	0	0	0	118.5
175	S	25	Very low	31.3	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	78%	0.78	S	S	*	*			cis	175.9	145.3	-31.4	47.4	0	0	0	0	108.5
176	A	28.7	Very low	31.5	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	78%	0.775	S	S	*	*			trans	70.9	168.5	147.4	0	0	0	0	0	119.8
177	P	43	Very low	31.9	Very low	123 Å²	123	141 Å²	141	80%	0.799	78%	0.784	S	S	*	*			cis	-140.3	-177.5	-45.5	35.1	-15.7	0	0	0	115.7
178	F	30	Very low	32.1	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.873	78%	0.781	S	S	*	*			trans	-45.3	153	169.3	-87.5	-104.7	0	0	0	118.9
179	Q	27.3	Very low	32.2	Very low	198 Å²	198	138 Å²	138	93%	0.925	78%	0.783	S	S	*	*				-169.9	145.5	125.2	-106.7	177.9	1.2	0	0	113.9
180	D	29.8	Very low	32.7	Very low	148 Å²	148	137 Å²	137	79%	0.791	79%	0.786	S	S	*	*			trans	-114.8	-170.9	176.5	-122.4	-11.9	0	0	0	107.3
181	P	58.7	Low	32.3	Very low	100 Å²	100	137.4 Å²	137.4	65%	0.649	79%	0.788	S	S	*	*			cis	-136.6	-160.2	-47.8	38.7	-18.5	0	0	0	112.6
182	R	28.6	Very low	31	Very low	216 Å²	216	141.2 Å²	141.2	82%	0.815	80%	0.796	S	S	*	*			trans	116.4	149.4	159.4	-66.4	-172	-176.1	-172.4	3.4	115.7
183	Q	30.8	Very low	31.4	Very low	147 Å²	147	140.4 Å²	140.4	69%	0.687	79%	0.792	S	S	*	*			cis	-172	153.3	-6.2	-109.8	-178.4	-20.1	0	0	111.7
184	L	27.9	Very low	31.6	Very low	144 Å²	144	143.3 Å²	143.3	75%	0.754	81%	0.805	S	S	*	*			trans	62.4	128.7	142.8	-96.8	89.4	0	0	0	127.6
185	S	28.3	Very low	31.7	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	80%	0.803	S	S	*	*				111.5	121.3	122.3	73.1	0	0	0	0	121.5
186	S	29.2	Very low	31.9	Very low	121 Å²	121	145 Å²	145	85%	0.846	81%	0.809	S	S	*	*				143.7	138.6	125.1	62.9	0	0	0	0	114.7
187	L	34.3	Very low	31.8	Very low	170 Å²	170	145.7 Å²	145.7	89%	0.89	81%	0.808	S	S	*	*			trans	-75.8	160.1	179.1	-77.4	145.9	0	0	0	112.5
188	P	31.2	Very low	31.9	Very low	129 Å²	129	145 Å²	145	84%	0.838	80%	0.804	S	S	*	*			trans	-139.1	171.9	134.9	33.7	-16.2	0	0	0	116.1
189	A	27	Very low	32	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	80%	0.802	S	S	*	*			trans	-77.9	167.7	-157	0	0	0	0	0	118.5
190	L	36.5	Very low	31.9	Very low	169 Å²	169	145.2 Å²	145.2	89%	0.885	80%	0.802	S	S	*	*			trans	-54.9	141.4	168.7	-76.4	141.2	0	0	0	113.4
191	P	30.6	Very low	31.9	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	80%	0.8	S	S	*	*			trans	-104	138.6	162.8	22.5	-6.3	0	0	0	113.1
192	Q	27.1	Very low	30.4	Very low	192 Å²	192	147.2 Å²	147.2	90%	0.897	81%	0.812	S	S	*	*			trans	-72.2	155	173.1	-66.4	173.2	-18.7	0	0	112.3
193	S	33.5	Very low	30.4	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	81%	0.811	S	S	*	*			trans	-71.7	150.4	174.9	48.8	0	0	0	0	114.6
194	P	30.9	Very low	30.5	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	80%	0.803	S	S	*	*			trans	-131.9	155.7	141.2	25.4	-6.4	0	0	0	114.8
195	L	27.2	Very low	30.6	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	80%	0.802	S	S	*	*			trans	-76.9	154.6	-176.4	-73.1	112.5	0	0	0	115.2
196	H	29.2	Very low	30.8	Very low	175 Å²	175	140.2 Å²	140.2	81%	0.81	80%	0.801	S	S	*	*			trans	36.8	136.9	149.8	-72.9	-67.1	0	0	0	120.2
197	S	27.5	Very low	30.9	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	80%	0.799	S	S	*	*			cis	-173.5	-165.4	21	51.1	0	0	0	0	108.9
198	P	44.6	Very low	30.9	Very low	109 Å²	109	142.4 Å²	142.4	71%	0.708	79%	0.793	S	S	*	*				-114.3	-176.9	-94.1	36.3	-17.4	0	0	0	115.9
199	D	31.1	Very low	31	Very low	155 Å²	155	144.9 Å²	144.9	83%	0.829	79%	0.791	S	S	*	*			trans	83.1	98.3	164.2	-65.9	-19.7	0	0	0	120.7
200	R	26	Very low	31.3	Very low	247 Å²	247	149.6 Å²	149.6	93%	0.932	80%	0.796	S	S	*	*			trans	-155.1	144.2	140.7	-107.5	172.8	-167.3	-157.2	3.1	111.2
201	P	29.6	Very low	32	Very low	115 Å²	115	148.2 Å²	148.2	75%	0.747	78%	0.783	S	S	*	*			trans	-74	145.1	-167.7	18.6	-13.7	0	0	0	113.1	V203	P201-V203 PolarHBondContact O-N 2.75Å; P201-V203 VanDerWaalsContact O-N 3.11Å
202	L	27.4	Very low	33.2	Very low	174 Å²	174	151 Å²	151	91%	0.911	79%	0.786	S	S	*	*			trans	-54.3	109	175.5	-74.6	155.8	0	0	0	111.1	L204	L202-L204 PolarHBondContact O-N 2.81Å
203	V	27.8	Very low	34.8	Very low	130 Å²	130	150.1 Å²	150.1	79%	0.788	79%	0.786	S	S	*	*			trans	-69.1	114.8	167.5	176.2	0	0	0	0	107.8	P201 T205	P201-V203 PolarHBondContact O-N 2.75Å; P201-V203 VanDerWaalsContact O-N 3.11Å; V203-T205 PolarHBondContact O-N 3.08Å; V203-T205 VanDerWaalsContact O-N 3.11Å
204	L	34.3	Very low	37	Very low	97 Å²	97	148 Å²	148	51%	0.508	77%	0.765	S	S	.	*			trans	-63.7	107	169.9	-75.3	157.2	0	0	0	108.5	L202 V206 M308 I311	L202-L204 PolarHBondContact O-N 2.81Å; L204-V206 PolarHBondContact O-N 2.63Å; L204-M308 HydrophobicContact CD1-CE 3.44Å; L204-M308 VanDerWaalsContact CD1-CE 3.44Å; L204-I311 HydrophobicContact CD1-CD1 4.39Å
205	T	29.6	Very low	39.5	Very low	122 Å²	122	147.1 Å²	147.1	75%	0.748	76%	0.757	S	S	*	*			trans	-64.3	115.7	173.8	43	0	0	0	0	110	V203 E207	V203-T205 PolarHBondContact O-N 3.08Å; V203-T205 VanDerWaalsContact O-N 3.11Å; T205-E207 PolarHBondContact O-N 2.8Å
206	V	32.8	Very low	42.4	Very low	115 Å²	115	140.6 Å²	140.6	70%	0.697	72%	0.722	S	S	*	*			trans	-70.5	107.6	164	-175	0	0	0	0	106.6	L204 H208	L204-V206 PolarHBondContact O-N 2.63Å; V206-H208 WeakPolarHBondContact CG1-CD2 3.4Å; V206-H208 PolarHBondContact O-N 3.19Å
207	E	31.6	Very low	45.4	Very low	173 Å²	173	138.1 Å²	138.1	81%	0.808	71%	0.711	S	S	*	*			trans	-69.9	81.1	173.3	-75.6	-170.6	158.2	0	0	109.9	T205 K209	T205-E207 PolarHBondContact O-N 2.8Å; E207-K209 VanDerWaalsContact C-N 3.33Å; E207-K209 PolarHBondContact O-N 3.22Å
208	H	32.8	Very low	48.5	Very low	163 Å²	163	133.5 Å²	133.5	76%	0.755	68%	0.68	S	S	*	*			trans	-78.4	87.7	159.2	-84.3	-85	0	0	0	108.1	V206 E210	V206-H208 WeakPolarHBondContact CG1-CD2 3.4Å; V206-H208 PolarHBondContact O-N 3.19Å; H208-E210 PolarHBondContact O-N 3.44Å; H208-E210 VanDerWaalsContact O-N 3.16Å
209	K	34.2	Very low	50.9	Low	182 Å²	182	132.5 Å²	132.5	79%	0.791	68%	0.676	S	S	*	*			trans	-69.9	101.9	155.6	-93.2	-175.9	174.6	178.5	0	106.8	E207 K211	E207-K209 VanDerWaalsContact C-N 3.33Å; E207-K209 PolarHBondContact O-N 3.22Å; K209-K211 VanDerWaalsContact C-N 3.33Å; K209-K211 PolarHBondContact O-N 3.36Å
210	E	33.5	Very low	53.9	Low	193 Å²	193	130.5 Å²	130.5	90%	0.902	66%	0.66	S	S	*	*			trans	-56.2	101	162.5	-80	-177.2	151.1	0	0	107.7	H208	H208-E210 PolarHBondContact O-N 3.44Å; H208-E210 VanDerWaalsContact O-N 3.16Å
211	K	51	Low	57.1	Low	141 Å²	141	120.4 Å²	120.4	61%	0.613	63%	0.632	S	S	*	*			trans	-79.2	123.7	170.2	-79	-178	174.8	-177.8	0	106.7	K209 L213	K209-K211 VanDerWaalsContact C-N 3.33Å; K209-K211 PolarHBondContact O-N 3.36Å; K211-L213 PolarHBondContact O-N 3.02Å
212	E	54.5	Low	60.2	Low	183 Å²	183	119.2 Å²	119.2	86%	0.855	62%	0.623	S	S	*	*			trans	-48.6	133	169.4	-71.7	-179.1	159	0	0	110.2	I214	E212-I214 PolarHBondContact O-N 3.27Å
213	L	62.4	Low	63.5	Low	172 Å²	172	115 Å²	115	90%	0.901	61%	0.606	S	S	*	*			trans	-67.7	103.6	179.6	-78.7	159.8	0	0	0	109.5	K211 V215	K211-L213 PolarHBondContact O-N 3.02Å; L213-V215 PolarHBondContact O-N 3.24Å
214	I	79.6	Confident	66.6	Low	72 Å²	72	110.2 Å²	110.2	37%	0.369	58%	0.575	S	S	.	*			trans	-67.5	118.1	176.2	-56.5	174.2	0	0	0	108.7	E212 K216 E885 V887	E212-I214 PolarHBondContact O-N 3.27Å; I214-K216 HydrophobicContact CB-CG 4.43Å; I214-K216 HydrophobicContact CG2-CD 4.34Å; I214-K216 VanDerWaalsContact CG2-CE 3.49Å; I214-K216 HydrophobicContact CG2-CG 3.83Å; I214-K216 PolarHBondContact O-N 3.5Å; I214-E885 WeakPolarHBondContact CD1-O 3.46Å; I214-V887 HydrophobicContact CG2-CB 4.48Å; I214-V887 HydrophobicContact CG2-CG2 3.29Å
215	V	83.4	Confident	69.5	Low	110 Å²	110	108.4 Å²	108.4	67%	0.667	57%	0.571	S	S	*	*			trans	-76	110.7	174.9	-177.9	0	0	0	0	109.8	L213	L213-V215 PolarHBondContact O-N 3.24Å
216	K	87.9	Confident	72.6	Confident	18 Å²	18	102.6 Å²	102.6	8%	0.078	54%	0.535	C	S	.	.			trans	-115.6	-23.1	-178	-54.1	179.8	-162	-167.7	0	113.6	I214 S883 W886 V887 P917	I214-K216 HydrophobicContact CB-CG 4.43Å; I214-K216 HydrophobicContact CG2-CD 4.34Å; I214-K216 VanDerWaalsContact CG2-CE 3.49Å; I214-K216 HydrophobicContact CG2-CG 3.83Å; I214-K216 PolarHBondContact O-N 3.5Å; K216-S883 PolarHBondContact NZ-O 3.41Å; K216-W886 WeakPolarHBondContact CD-O 3.36Å; K216-W886 WeakPolarHBondContact CE-O 3.35Å; K216-W886 PolarHBondContact NZ-O 2.93Å; K216-V887 HydrophobicContact CG-CG1 4.46Å; K216-P917 VanDerWaalsContact O-CB 3.25Å; K216-P917 WeakPolarHBondContact O-CB 3.44Å
217	Q	92.4	Very high	75.6	Confident	122 Å²	122	97.1 Å²	97.1	57%	0.57	50%	0.502	S	S	*	.			trans	-79.3	126.8	-173	-66	-178.6	19.1	0	0	111.4	D878 H879	Q217-D878 VanDerWaalsContact CA-OD2 3.31Å; Q217-D878 WeakPolarHBondContact CA-OD2 3.48Å; Q217-H879 HydrophobicContact CG-CB 3.94Å; Q217-H879 VanDerWaalsContact NE2-CB 3.31Å
218	G	92.8	Very high	78.6	Confident	11 Å²	11	88.9 Å²	88.9	11%	0.113	46%	0.463	C	S	.	.			trans	-82.8	161.5	166.1	0	0	0	0	0	111.6	R566 D878 D918	G218-R566 VanDerWaalsContact O-CZ 3.25Å; G218-R566 PolarHBondContact O-NE 2.85Å; G218-R566 VanDerWaalsContact O-NE 3.15Å; G218-R566 PolarHBondContact O-NH2 2.79Å; G218-D878 PolarHBondContact N-OD2 3.48Å; G218-D918 VanDerWaalsContact CA-OD1 3.23Å; G218-D918 WeakPolarHBondContact CA-OD1 3.5Å
219	S	93.9	Very high	81.6	Confident	87 Å²	87	81.1 Å²	81.1	61%	0.608	43%	0.428	S	S	*	.			trans	-111.9	-14.6	-177.8	68.3	0	0	0	0	113.6	D918	S219-D918 PolarHBondContact N-OD1 3.08Å; S219-D918 PolarHBondContact N-OD2 3.09Å; S219-D918 PolarHBondContact OG-OD2 2.77Å
220	K	93.7	Very high	84.5	Confident	114 Å²	114	72.9 Å²	72.9	50%	0.496	39%	0.392	S	S	.	.			trans	-89.6	143.2	-171.6	-63	-58.7	178.9	-169.6	0	112.9	R566 D918	K220-R566 PolarHBondContact O-NH1 2.78Å; K220-D918 WeakPolarHBondContact CB-OD1 3.34Å; K220-D918 HydrophobicContact CG-CB 4.11Å; K220-D918 PolarHBondContact N-OD1 3.45Å
221	G	93.6	Very high	87.5	Confident	34 Å²	34	63.8 Å²	63.8	35%	0.351	35%	0.349	S	S	.	.	S	Bend	trans	110.2	176	178.4	0	0	0	0	0	112	V567	G221-V567 CarbonylContact C-O 3.56Å; G221-V567 WeakPolarHBondContact CA-O 3.45Å
222	T	95.6	Very high	89.6	Confident	90 Å²	90	60.8 Å²	60.8	55%	0.552	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	130.5	-178.5	53.4	0	0	0	0	110.1	R566 V567	T222-R566 CarbonylContact O-C 3.59Å; T222-R566 WeakPolarHBondContact O-CA 3.47Å; T222-V567 PolarHBondContact N-O 2.85Å; T222-V567 PolarHBondContact O-N 2.89Å
223	P	95.5	Very high	91.6	Very high	85 Å²	85	52.4 Å²	52.4	55%	0.552	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	146.7	178.7	27.9	-34.8	0	0	0	111.1	E564 G565	P223-E564 HydrophobicContact CB-CG 4.07Å; P223-E564 WeakPolarHBondContact CB-OE1 3.2Å; P223-G565 CarbonylContact C-O 3.5Å; P223-G565 WeakPolarHBondContact CA-O 3.46Å
224	Q	93.3	Very high	93.1	Very high	30 Å²	30	48.8 Å²	48.8	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	131.1	-178.5	-173.3	173.7	43.4	0	0	110	L226 G565 V567 L862 T872 T875	Q224-L226 HydrophobicContact CG-CD2 4.11Å; Q224-L226 PolarHBondContact O-N 2.8Å; Q224-G565 PolarHBondContact N-O 3.42Å; Q224-G565 PolarHBondContact O-N 3.04Å; Q224-V567 HydrophobicContact CB-CG2 4.22Å; Q224-L862 VanDerWaalsContact CD-CD1 3.41Å; Q224-L862 HydrophobicContact CG-CD1 3.32Å; Q224-T872 PolarHBondContact OE1-OG1 3.46Å; Q224-T875 PolarHBondContact OE1-OG1 2.93Å
225	S	95.3	Very high	93.6	Very high	60 Å²	60	47.2 Å²	47.2	42%	0.42	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.4	175.8	-168.3	0	0	0	0	110.5	L862 A863	S225-L862 WeakPolarHBondContact O-CD1 3.37Å; S225-A863 PolarHBondContact O-N 3.27Å
226	L	95.9	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.8	-177	-57.6	175.4	0	0	0	111.1	Q224 K562 I563 Y861 P871 T875 V877	Q224-L226 HydrophobicContact CG-CD2 4.11Å; Q224-L226 PolarHBondContact O-N 2.8Å; L226-K562 CarbonylContact O-C 3.48Å; L226-K562 VanDerWaalsContact O-CA 3.23Å; L226-K562 WeakPolarHBondContact O-CA 3.28Å; L226-I563 HydrophobicContact CB-CG1 4.14Å; L226-I563 PolarHBondContact N-O 3.42Å; L226-I563 PolarHBondContact O-N 2.74Å; L226-Y861 CarbonylContact C-O 3.56Å; L226-Y861 WeakPolarHBondContact CA-O 3.49Å; L226-Y861 WeakPolarHBondContact CB-O 3.33Å; L226-Y861 WeakPolarHBondContact CD2-O 3.13Å; L226-P871 HydrophobicContact CD2-CB 4.29Å; L226-P871 HydrophobicContact CD2-CG 4.39Å; L226-T875 HydrophobicContact CD1-CG2 3.54Å; L226-T875 HydrophobicContact CD2-CG2 4.09Å; L226-T875 HydrophobicContact CG-CG2 4.45Å; L226-V877 HydrophobicContact CD1-CG2 3.6Å
227	G	94.6	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.8	162.7	0	0	0	0	0	110.8	Y861	G227-Y861 VanDerWaalsContact C-CD2 3.46Å; G227-Y861 PolarHBondContact N-O 3.44Å; G227-Y861 WeakPolarHBondContact O-CD2 3.26Å; G227-Y861 PolarHBondContact O-N 3.45Å
228	L	95	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.6	180	-59.6	166.6	0	0	0	110.1	L230 V560 H561 I563 N859 L860 I881	L228-L230 HydrophobicContact CB-CB 4.17Å; L228-L230 HydrophobicContact CB-CD1 4.15Å; L228-L230 HydrophobicContact CB-CG 4.46Å; L228-L230 HydrophobicContact CD1-CD1 4.12Å; L228-L230 PolarHBondContact O-N 2.97Å; L228-V560 VanDerWaalsContact O-CB 3.24Å; L228-V560 WeakPolarHBondContact O-CB 3.37Å; L228-H561 PolarHBondContact N-O 2.93Å; L228-I563 HydrophobicContact CD1-CB 4.41Å; L228-I563 HydrophobicContact CD1-CD1 3.61Å; L228-I563 HydrophobicContact CD1-CG1 3.7Å; L228-I563 HydrophobicContact CD1-CG2 3.82Å; L228-I563 HydrophobicContact CD2-CD1 4.25Å; L228-I563 HydrophobicContact CG-CD1 4.18Å; L228-I563 HydrophobicContact CG-CG1 4.09Å; L228-N859 WeakPolarHBondContact CA-O 3.44Å; L228-L860 HydrophobicContact CD2-CD2 3.18Å; L228-I881 HydrophobicContact CD1-CG2 3.37Å; L228-I881 HydrophobicContact CD2-CD1 4.31Å
229	N	95.4	Very high	93.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-74.6	37.7	172	72	-39.6	0	0	0	113.9	A378 L532 S857 T858 N859 Y861	N229-A378 VanDerWaalsContact CB-O 3.29Å; N229-A378 WeakPolarHBondContact CB-O 3.46Å; N229-A378 PolarHBondContact ND2-O 3.33Å; N229-A378 PolarHBondContact O-N 2.84Å; N229-A378 VanDerWaalsContact O-N 3.08Å; N229-L532 HydrophobicContact CB-CD1 3.81Å; N229-S857 PolarHBondContact ND2-O 3.28Å; N229-T858 WeakPolarHBondContact OD1-CA 3.43Å; N229-N859 HydrophobicContact CB-CB 4.19Å; N229-N859 PolarHBondContact N-O 2.88Å; N229-N859 PolarHBondContact ND2-ND2 3.27Å; N229-N859 VanDerWaalsContact ND2-ND2 3.2Å; N229-N859 PolarHBondContact OD1-N 3.06Å; N229-Y861 HydrophobicContact CB-CE2 4.34Å; N229-Y861 WeakPolarHBondContact CB-OH 3.36Å
230	L	95.4	Very high	93	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.4	178.9	-75	159.6	0	0	0	108.2	L228 F375 L376 L377 H561 I881	L228-L230 HydrophobicContact CB-CB 4.17Å; L228-L230 HydrophobicContact CB-CD1 4.15Å; L228-L230 HydrophobicContact CB-CG 4.46Å; L228-L230 HydrophobicContact CD1-CD1 4.12Å; L228-L230 PolarHBondContact O-N 2.97Å; L230-F375 HydrophobicContact CB-CB 4.39Å; L230-F375 HydrophobicContact CB-CD1 3.97Å; L230-F375 HydrophobicContact CB-CG 4.38Å; L230-F375 HydrophobicContact CD2-CB 3.65Å; L230-F375 HydrophobicContact CD2-CG 4.26Å; L230-L376 WeakPolarHBondContact CA-O 3.27Å; L230-L377 HydrophobicContact CD2-CB 3.73Å; L230-L377 HydrophobicContact CD2-CD1 3.8Å; L230-L377 HydrophobicContact CD2-CG 4.33Å; L230-L377 HydrophobicContact CG-CD1 4.04Å; L230-H561 VanDerWaalsContact O-CB 3.26Å; L230-H561 WeakPolarHBondContact O-CB 3.46Å; L230-H561 PolarHBondContact O-N 2.61Å; L230-I881 HydrophobicContact CD1-CB 4.07Å; L230-I881 HydrophobicContact CD1-CG2 3.31Å
231	I	96.4	Very high	92.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.2	175.4	-60.4	94.4	0	0	0	107.6	I233 F375 L376 A378 L536 L556 Q557	I231-I233 PolarHBondContact O-N 2.9Å; I231-F375 WeakPolarHBondContact O-CA 3.33Å; I231-L376 HydrophobicContact CB-CB 4.27Å; I231-L376 HydrophobicContact CD1-CD2 4.44Å; I231-L376 PolarHBondContact N-O 2.83Å; I231-L376 PolarHBondContact O-N 2.83Å; I231-A378 HydrophobicContact CD1-CB 3.77Å; I231-L536 HydrophobicContact CG1-CD1 4.04Å; I231-L536 HydrophobicContact CG1-CD2 4.1Å; I231-L536 HydrophobicContact CG2-CD2 4.13Å; I231-L556 HydrophobicContact CG2-CB 4.14Å; I231-Q557 HydrophobicContact CG2-CB 4.22Å; I231-Q557 VanDerWaalsContact CG2-O 3.31Å; I231-Q557 WeakPolarHBondContact CG2-O 3.47Å
232	K	95.5	Very high	92.7	Very high	78 Å²	78	41.9 Å²	41.9	34%	0.339	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.2	-180	-166.6	167.6	-176.9	169.1	0	109.9	F375 Q557	K232-F375 HydrophobicContact CB-CD1 4.07Å; K232-F375 HydrophobicContact CB-CE1 3.75Å; K232-F375 HydrophobicContact CD-CE1 4.4Å; K232-F375 HydrophobicContact CG-CD1 4.43Å; K232-F375 HydrophobicContact CG-CE1 3.92Å; K232-F375 HydrophobicContact CG-CZ 4.38Å; K232-Q557 HydrophobicContact CB-CB 4.25Å; K232-Q557 VanDerWaalsContact CB-OE1 3.27Å; K232-Q557 PolarHBondContact O-N 2.82Å
233	I	95.4	Very high	92.5	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.8	175	-48.6	-172.7	0	0	0	108.1	I231 I367 L374 L376 L554 R555 L556	I231-I233 PolarHBondContact O-N 2.9Å; I233-I367 HydrophobicContact CD1-CB 4.48Å; I233-I367 HydrophobicContact CD1-CD1 3.87Å; I233-I367 HydrophobicContact CD1-CG1 3.87Å; I233-I367 HydrophobicContact CD1-CG2 3.91Å; I233-L374 HydrophobicContact CB-CB 4.28Å; I233-L374 HydrophobicContact CB-CD2 4.04Å; I233-L374 HydrophobicContact CB-CG 4.15Å; I233-L374 HydrophobicContact CD1-CD2 4.24Å; I233-L374 HydrophobicContact CD1-CG 4.18Å; I233-L374 HydrophobicContact CG2-CD2 3.99Å; I233-L374 PolarHBondContact N-O 3.1Å; I233-L376 HydrophobicContact CD1-CB 4.02Å; I233-L376 HydrophobicContact CG1-CB 4.29Å; I233-L554 HydrophobicContact CG2-CB 4.03Å; I233-L554 HydrophobicContact CG2-CD2 4Å; I233-R555 WeakPolarHBondContact CA-O 3.26Å; I233-L556 HydrophobicContact CD1-CD2 4.12Å; I233-L556 HydrophobicContact CG1-CD2 3.81Å
234	Q	93.8	Very high	92.3	Very high	96 Å²	96	37.6 Å²	37.6	45%	0.449	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.4	172.6	-67.8	175.8	-19.5	0	0	109.2	R555	Q234-R555 HydrophobicContact CB-CB 4.37Å; Q234-R555 PolarHBondContact N-O 3.25Å; Q234-R555 PolarHBondContact O-N 3.09Å
235	C	90.5	Very high	92.1	Very high	39 Å²	39	36.3 Å²	36.3	26%	0.264	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.5	174.1	-60.2	0	0	0	0	109	P314 G553	C235-P314 HydrophobicContact CB-CB 3.63Å; C235-P314 HydrophobicContact CB-CG 4.22Å; C235-G553 CarbonylContact C-O 3.6Å; C235-G553 WeakPolarHBondContact CA-O 3.22Å
236	H	88.4	Confident	91.9	Very high	96 Å²	96	36 Å²	36	44%	0.444	18%	0.176	S	C	.	.			trans	-92.4	-23	177	-69.4	71.1	0	0	0	112.6	G553 R555	H236-G553 PolarHBondContact N-O 3.07Å; H236-R555 PolarHBondContact CE1-NE 3.45Å
237	N	85.9	Confident	91.5	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	18%	0.179	C	C	.	.	S	Bend	trans	-70.7	141.2	176.3	-66.5	1	0	0	0	109.3	P282 P314 W552 G553	N237-P282 WeakPolarHBondContact ND2-CB 3.4Å; N237-P314 WeakPolarHBondContact O-CG 3.35Å; N237-W552 PolarHBondContact ND2-O 2.94Å; N237-G553 VanDerWaalsContact OD1-CA 3.3Å; N237-G553 WeakPolarHBondContact OD1-CA 3.34Å
238	E	84.7	Confident	91.1	Very high	182 Å²	182	40 Å²	40	85%	0.85	20%	0.203	S	C	*	.	S	Bend	trans	-70.9	-36.2	174.7	-64.1	-179.7	170.8	0	0	111.7	P314	E238-P314 WeakPolarHBondContact O-CD 3.48Å
239	A	88.4	Confident	90.5	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	23%	0.226	C	C	.	.			trans	-152.9	162.3	-179	0	0	0	0	0	112.5	Y241 I311 L312	A239-Y241 HydrophobicContact CB-CE1 4.23Å; A239-Y241 HydrophobicContact CB-CE2 4.31Å; A239-I311 HydrophobicContact CB-CG2 3.53Å; A239-L312 CarbonylContact C-O 3.6Å; A239-L312 WeakPolarHBondContact CA-O 3.39Å
240	V	90.4	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.8	164.9	176.7	0	0	0	0	107.9	Y280 L312 F322 W552	V240-Y280 HydrophobicContact CG1-CD1 4.28Å; V240-L312 HydrophobicContact CB-CB 4.36Å; V240-L312 PolarHBondContact N-O 3.16Å; V240-L312 WeakPolarHBondContact O-CA 3.44Å; V240-L312 WeakPolarHBondContact O-CB 3.46Å; V240-L312 PolarHBondContact O-N 2.99Å; V240-F322 HydrophobicContact CG1-CE1 4.44Å; V240-F322 HydrophobicContact CG1-CZ 4.1Å; V240-W552 HydrophobicContact CG1-CZ3 4.49Å
241	Y	90.6	Very high	88.9	Confident	32 Å²	32	48.1 Å²	48.1	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.4	-173.6	-57.2	-84.7	0	0	0	110.4	A239 Y243 Y280 L281 V283 K284 M308 I311	A239-Y241 HydrophobicContact CB-CE1 4.23Å; A239-Y241 HydrophobicContact CB-CE2 4.31Å; Y241-Y243 VanDerWaalsContact CB-CE2 3.4Å; Y241-Y243 WeakPolarHBondContact CB-OH 3.35Å; Y241-Y243 WeakPolarHBondContact O-CD2 3.43Å; Y241-Y243 WeakPolarHBondContact O-CE2 3.48Å; Y241-Y280 WeakPolarHBondContact O-CA 3.35Å; Y241-L281 PolarHBondContact N-O 2.94Å; Y241-L281 PolarHBondContact O-N 3.31Å; Y241-V283 VanDerWaalsContact CD2-C 3.4Å; Y241-K284 HydrophobicContact CD1-CB 4.06Å; Y241-K284 HydrophobicContact CD1-CD 4.4Å; Y241-K284 HydrophobicContact CD1-CG 3.87Å; Y241-K284 HydrophobicContact CD2-CB 4.12Å; Y241-K284 HydrophobicContact CE1-CB 3.71Å; Y241-K284 HydrophobicContact CE1-CD 3.8Å; Y241-K284 HydrophobicContact CE1-CG 3.67Å; Y241-K284 HydrophobicContact CE2-CB 3.78Å; Y241-K284 HydrophobicContact CG-CB 4.25Å; Y241-K284 HydrophobicContact CG-CG 4.42Å; Y241-M308 HydrophobicContact CD1-SD 4.1Å; Y241-I311 HydrophobicContact CD1-CG1 4.11Å; Y241-I311 HydrophobicContact CD1-CG2 4.32Å; Y241-I311 HydrophobicContact CE1-CD1 4.43Å; Y241-I311 HydrophobicContact CE1-CG1 4.27Å; Y241-I311 HydrophobicContact CE1-CG2 4.08Å
242	Q	91.1	Very high	87.9	Confident	22 Å²	22	54.1 Å²	54.1	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128	178.6	-174.9	-172.3	-29.3	0	0	110.4	I278 L279 Y280 T309 K310 L312	Q242-I278 HydrophobicContact CG-CG2 3.55Å; Q242-L279 CarbonylContact C-O 3.58Å; Q242-Y280 HydrophobicContact CB-CD1 4Å; Q242-Y280 HydrophobicContact CB-CE1 3.89Å; Q242-Y280 HydrophobicContact CG-CD1 4.07Å; Q242-Y280 HydrophobicContact CG-CE1 3.6Å; Q242-T309 WeakPolarHBondContact CG-OG1 3.17Å; Q242-T309 PolarHBondContact O-N 3.26Å; Q242-T309 PolarHBondContact O-OG1 3.18Å; Q242-K310 HydrophobicContact CB-CB 4.15Å; Q242-K310 PolarHBondContact N-O 3.4Å; Q242-K310 PolarHBondContact O-N 3.18Å; Q242-L312 HydrophobicContact CB-CD1 4.28Å
243	Y	90.6	Very high	86.8	Confident	4 Å²	4	53 Å²	53	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.4	178.5	-54.2	-98.2	0	0	0	110.8	Y241 I278 L279 L281 K284 L285 I306 Q307 M308	Y241-Y243 VanDerWaalsContact CB-CE2 3.4Å; Y241-Y243 WeakPolarHBondContact CB-OH 3.35Å; Y241-Y243 WeakPolarHBondContact O-CD2 3.43Å; Y241-Y243 WeakPolarHBondContact O-CE2 3.48Å; Y243-I278 CarbonylContact O-C 3.55Å; Y243-I278 WeakPolarHBondContact O-CA 3.4Å; Y243-L279 PolarHBondContact N-O 3.36Å; Y243-L279 PolarHBondContact O-N 3.11Å; Y243-L281 HydrophobicContact CD2-CD1 4.05Å; Y243-L281 HydrophobicContact CD2-CG 4.16Å; Y243-L281 HydrophobicContact CE2-CB 3.99Å; Y243-L281 HydrophobicContact CE2-CD1 3.66Å; Y243-L281 HydrophobicContact CE2-CG 3.91Å; Y243-K284 WeakPolarHBondContact OH-CA 3.47Å; Y243-L285 HydrophobicContact CD1-CD1 4.09Å; Y243-L285 HydrophobicContact CE1-CB 3.87Å; Y243-L285 HydrophobicContact CE1-CD1 3.75Å; Y243-L285 HydrophobicContact CE1-CG 4.02Å; Y243-L285 HydrophobicContact CE2-CD1 4.3Å; Y243-L285 HydrophobicContact CE2-CG 4.49Å; Y243-L285 PolarHBondContact OH-N 3.31Å; Y243-I306 HydrophobicContact CD1-CG2 3.87Å; Y243-I306 HydrophobicContact CG-CG2 3.91Å; Y243-Q307 CarbonylContact C-O 3.34Å; Y243-Q307 WeakPolarHBondContact CA-O 3.41Å; Y243-M308 VanDerWaalsContact CD1-CA 3.44Å; Y243-M308 HydrophobicContact CD1-CB 3.71Å; Y243-M308 HydrophobicContact CD1-CG 4.15Å; Y243-M308 HydrophobicContact CE1-CB 3.61Å; Y243-M308 HydrophobicContact CE1-CG 3.83Å; Y243-M308 HydrophobicContact CE1-SD 4.38Å
244	H	90.8	Very high	85.7	Confident	80 Å²	80	56 Å²	56	37%	0.37	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.5	165.4	-169.2	49.1	0	0	0	109.5	T246 S277 I306 Q307 T309	H244-T246 WeakPolarHBondContact NE2-CG2 3.24Å; H244-S277 WeakPolarHBondContact CA-O 3.47Å; H244-S277 PolarHBondContact ND1-O 2.82Å; H244-I306 WeakPolarHBondContact O-CA 3.36Å; H244-Q307 PolarHBondContact N-O 3.14Å; H244-Q307 PolarHBondContact O-N 2.88Å; H244-T309 HydrophobicContact CB-CG2 3.67Å
245	V	90.6	Very high	84.9	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117	-179.1	-172	0	0	0	0	108.9	F247 F274 S277 L279 I304 K305 I306	V245-F247 HydrophobicContact CB-CE2 4.37Å; V245-F247 HydrophobicContact CG1-CD2 4.44Å; V245-F247 HydrophobicContact CG1-CE2 3.65Å; V245-F247 HydrophobicContact CG1-CZ 3.73Å; V245-F274 HydrophobicContact CB-CE2 3.76Å; V245-F274 HydrophobicContact CB-CZ 4.15Å; V245-F274 HydrophobicContact CG1-CE2 4.29Å; V245-F274 HydrophobicContact CG1-CZ 4.24Å; V245-F274 HydrophobicContact CG2-CD2 4.26Å; V245-F274 HydrophobicContact CG2-CE2 3.67Å; V245-F274 HydrophobicContact CG2-CZ 4.42Å; V245-S277 PolarHBondContact N-O 2.8Å; V245-L279 HydrophobicContact CG2-CB 3.63Å; V245-L279 HydrophobicContact CG2-CD2 4.26Å; V245-I304 HydrophobicContact CG1-CG2 3.51Å; V245-K305 WeakPolarHBondContact CA-O 3.4Å; V245-I306 HydrophobicContact CG1-CG1 4.28Å; V245-I306 HydrophobicContact CG2-CG1 4.29Å
246	T	89.9	Confident	84.3	Confident	53 Å²	53	55.5 Å²	55.5	33%	0.325	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.7	178	54.3	0	0	0	0	110.5	H244 I304 K305	H244-T246 WeakPolarHBondContact NE2-CG2 3.24Å; T246-I304 CarbonylContact O-C 3.48Å; T246-I304 WeakPolarHBondContact O-CA 3.3Å; T246-K305 PolarHBondContact N-O 2.95Å; T246-K305 PolarHBondContact O-N 3.41Å; T246-K305 WeakPolarHBondContact OG1-CB 3.42Å; T246-K305 PolarHBondContact OG1-O 3.03Å
247	F	87.3	Confident	84.1	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.7	-179.4	-60.9	-99.9	0	0	0	108.9	V245 P249 N250 V251 R257 M260 F274 I302 S303 I304	V245-F247 HydrophobicContact CB-CE2 4.37Å; V245-F247 HydrophobicContact CG1-CD2 4.44Å; V245-F247 HydrophobicContact CG1-CE2 3.65Å; V245-F247 HydrophobicContact CG1-CZ 3.73Å; F247-P249 CarbonylContact C-O 3.55Å; F247-P249 CarbonylContact O-C 3.39Å; F247-N250 WeakPolarHBondContact O-CA 3.49Å; F247-N250 PolarHBondContact O-N 3.13Å; F247-V251 HydrophobicContact CB-CB 4.44Å; F247-V251 HydrophobicContact CB-CG2 4.22Å; F247-R257 HydrophobicContact CD1-CG 4.42Å; F247-R257 HydrophobicContact CD2-CG 3.99Å; F247-R257 HydrophobicContact CE1-CB 4.07Å; F247-R257 HydrophobicContact CE1-CG 4.17Å; F247-R257 HydrophobicContact CE2-CB 3.89Å; F247-R257 HydrophobicContact CE2-CG 3.73Å; F247-R257 HydrophobicContact CG-CG 4.35Å; F247-R257 HydrophobicContact CZ-CB 3.58Å; F247-R257 HydrophobicContact CZ-CG 3.84Å; F247-M260 HydrophobicContact CD1-SD 4.26Å; F247-M260 HydrophobicContact CE1-CB 4.3Å; F247-M260 HydrophobicContact CE1-SD 4.36Å; F247-F274 AromaticContact CE2-CZ 3.99Å; F247-F274 HydrophobicContact CE2-CZ 3.99Å; F247-F274 HydrophobicContact CZ-CE1 4.32Å; F247-F274 AromaticContact CZ-CZ 3.94Å; F247-F274 HydrophobicContact CZ-CZ 3.94Å; F247-I302 HydrophobicContact CB-CG2 4.02Å; F247-I302 HydrophobicContact CD1-CG2 4.07Å; F247-S303 CarbonylContact C-O 3.58Å; F247-S303 WeakPolarHBondContact CA-O 3.3Å; F247-I304 HydrophobicContact CD1-CD1 4.28Å; F247-I304 HydrophobicContact CD1-CG1 3.79Å; F247-I304 HydrophobicContact CD1-CG2 4.36Å; F247-I304 HydrophobicContact CE1-CD1 3.88Å; F247-I304 HydrophobicContact CE1-CG1 3.84Å; F247-I304 HydrophobicContact CE1-CG2 4.01Å; F247-I304 HydrophobicContact CZ-CG2 4.3Å
248	S	86.1	Confident	84	Confident	71 Å²	71	51.4 Å²	51.4	50%	0.497	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.6	-179.8	-60.9	0	0	0	0	110	S303	S248-S303 PolarHBondContact N-O 3.22Å; S248-S303 PolarHBondContact O-N 3.06Å
249	P	82.6	Confident	84	Confident	76 Å²	76	43.9 Å²	43.9	49%	0.494	24%	0.244	S	C	.	.	S	Bend	cis	-58.7	156	-5.3	-23.4	33.3	0	0	0	114.4	F247 V251 I302	F247-P249 CarbonylContact C-O 3.55Å; F247-P249 CarbonylContact O-C 3.39Å; P249-V251 PolarHBondContact O-N 3.15Å; P249-I302 HydrophobicContact CG-CD1 4.44Å
250	N	80.4	Confident	83.9	Confident	100 Å²	100	43.8 Å²	43.8	54%	0.535	24%	0.242	S	C	.	.			trans	-62.4	128.2	-178.1	-179.6	35.5	0	0	0	111.4	F247 R257	F247-N250 WeakPolarHBondContact O-CA 3.49Å; F247-N250 PolarHBondContact O-N 3.13Å; N250-R257 PolarHBondContact OD1-NH2 3.35Å; N250-R257 VanDerWaalsContact OD1-NH2 3.08Å
251	V	78.1	Confident	83.7	Confident	3 Å²	3	44 Å²	44	2%	0.018	24%	0.243	C	C	.	.			trans	-103	107.3	176	178.5	0	0	0	0	108.1	F247 P249 M256 R257 M260 I302	F247-V251 HydrophobicContact CB-CB 4.44Å; F247-V251 HydrophobicContact CB-CG2 4.22Å; P249-V251 PolarHBondContact O-N 3.15Å; V251-M256 HydrophobicContact CG1-CB 3.77Å; V251-R257 HydrophobicContact CB-CG 4.19Å; V251-R257 HydrophobicContact CG1-CG 4.12Å; V251-R257 PolarHBondContact O-NE 3.49Å; V251-R257 PolarHBondContact O-NH2 2.86Å; V251-M260 HydrophobicContact CG1-CE 4.46Å; V251-M260 HydrophobicContact CG1-SD 4.38Å; V251-M260 HydrophobicContact CG2-CE 4.05Å; V251-M260 HydrophobicContact CG2-SD 4Å; V251-I302 HydrophobicContact CG2-CD1 4.06Å; V251-I302 HydrophobicContact CG2-CG1 4.1Å; V251-I302 HydrophobicContact CG2-CG2 4Å
252	E	73.8	Confident	83.4	Confident	129 Å²	129	49.7 Å²	49.7	60%	0.603	27%	0.268	S	S	*	.			trans	-73.4	-31.7	-176.6	-63	-169.9	161.3	0	0	113.6	K254	E252-K254 PolarHBondContact O-N 3.04Å; E252-K254 VanDerWaalsContact O-N 3.12Å
253	C	73.2	Confident	83.1	Confident	54 Å²	54	52.9 Å²	52.9	37%	0.365	29%	0.286	S	S	.	.			trans	-71.3	109.8	-178.7	-176.1	0	0	0	0	111	S255 M256 R257	C253-S255 VanDerWaalsContact C-N 3.25Å; C253-S255 PolarHBondContact O-N 2.94Å; C253-M256 HydrophobicContact CB-CB 4.15Å; C253-M256 HydrophobicContact CB-CE 3.31Å; C253-M256 HydrophobicContact CB-CG 4Å; C253-M256 HydrophobicContact CB-SD 4.43Å; C253-M256 PolarHBondContact O-N 3.06Å; C253-M256 VanDerWaalsContact O-N 3.08Å; C253-R257 PolarHBondContact O-N 3.25Å; C253-R257 VanDerWaalsContact O-N 3.15Å
254	K	73.2	Confident	82.9	Confident	71 Å²	71	54 Å²	54	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-54	-41.6	175.9	-69.1	-170.6	178.6	-172.7	0	112.4	E252 M256 R257 F258	E252-K254 PolarHBondContact O-N 3.04Å; E252-K254 VanDerWaalsContact O-N 3.12Å; K254-M256 VanDerWaalsContact C-N 3.26Å; K254-M256 PolarHBondContact O-N 2.96Å; K254-R257 WeakPolarHBondContact O-CB 3.32Å; K254-R257 PolarHBondContact O-N 3.08Å; K254-R257 VanDerWaalsContact O-N 3.13Å; K254-F258 HydrophobicContact CB-CD2 4.35Å; K254-F258 HydrophobicContact CB-CE2 4.04Å; K254-F258 WeakPolarHBondContact O-CD2 2.94Å; K254-F258 PolarHBondContact O-N 2.9Å
255	S	75.7	Confident	82.4	Confident	64 Å²	64	54.5 Å²	54.5	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-36.1	-179.7	-150.9	0	0	0	0	112.7	C253 F258 G259	C253-S255 VanDerWaalsContact C-N 3.25Å; C253-S255 PolarHBondContact O-N 2.94Å; S255-F258 WeakPolarHBondContact O-CB 3.24Å; S255-F258 PolarHBondContact O-N 3.14Å; S255-G259 PolarHBondContact O-N 3.24Å; S255-G259 VanDerWaalsContact O-N 3.08Å
256	M	79.4	Confident	81.8	Confident	61 Å²	61	59.4 Å²	59.4	30%	0.3	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-43.4	174.5	-69.7	-165.4	-101	0	0	111.3	V251 C253 K254 F258 G259 M260 R295 T297	V251-M256 HydrophobicContact CG1-CB 3.77Å; C253-M256 HydrophobicContact CB-CB 4.15Å; C253-M256 HydrophobicContact CB-CE 3.31Å; C253-M256 HydrophobicContact CB-CG 4Å; C253-M256 HydrophobicContact CB-SD 4.43Å; C253-M256 PolarHBondContact O-N 3.06Å; C253-M256 VanDerWaalsContact O-N 3.08Å; K254-M256 VanDerWaalsContact C-N 3.26Å; K254-M256 PolarHBondContact O-N 2.96Å; M256-F258 PolarHBondContact O-N 2.85Å; M256-G259 PolarHBondContact O-N 3.12Å; M256-G259 VanDerWaalsContact O-N 3.11Å; M256-M260 WeakPolarHBondContact O-CB 2.98Å; M256-M260 VanDerWaalsContact O-CG 3.26Å; M256-M260 WeakPolarHBondContact O-CG 2.91Å; M256-M260 PolarHBondContact O-N 2.95Å; M256-R295 HydrophobicContact SD-CG 4.18Å; M256-T297 HydrophobicContact CE-CG2 4.34Å; M256-T297 HydrophobicContact SD-CG2 4.02Å
257	R	83.4	Confident	81.3	Confident	33 Å²	33	60.7 Å²	60.7	13%	0.125	34%	0.339	C	S	.	.	H	α-helix	trans	-54.8	-41.3	172.9	-62.1	-176.2	-174.1	-177.3	-1.9	112.1	F247 N250 V251 C253 K254 L261 F274 G276 S277	F247-R257 HydrophobicContact CD1-CG 4.42Å; F247-R257 HydrophobicContact CD2-CG 3.99Å; F247-R257 HydrophobicContact CE1-CB 4.07Å; F247-R257 HydrophobicContact CE1-CG 4.17Å; F247-R257 HydrophobicContact CE2-CB 3.89Å; F247-R257 HydrophobicContact CE2-CG 3.73Å; F247-R257 HydrophobicContact CG-CG 4.35Å; F247-R257 HydrophobicContact CZ-CB 3.58Å; F247-R257 HydrophobicContact CZ-CG 3.84Å; N250-R257 PolarHBondContact OD1-NH2 3.35Å; N250-R257 VanDerWaalsContact OD1-NH2 3.08Å; V251-R257 HydrophobicContact CB-CG 4.19Å; V251-R257 HydrophobicContact CG1-CG 4.12Å; V251-R257 PolarHBondContact O-NE 3.49Å; V251-R257 PolarHBondContact O-NH2 2.86Å; C253-R257 PolarHBondContact O-N 3.25Å; C253-R257 VanDerWaalsContact O-N 3.15Å; K254-R257 WeakPolarHBondContact O-CB 3.32Å; K254-R257 PolarHBondContact O-N 3.08Å; K254-R257 VanDerWaalsContact O-N 3.13Å; R257-L261 WeakPolarHBondContact O-CB 3.47Å; R257-L261 PolarHBondContact O-N 3.11Å; R257-F274 HydrophobicContact CB-CE1 4.14Å; R257-G276 WeakPolarHBondContact CD-O 3.37Å; R257-G276 PolarHBondContact NH1-O 3.16Å; R257-S277 PolarHBondContact NH1-OG 2.9Å
258	F	84.1	Confident	80.7	Confident	19 Å²	19	60.5 Å²	60.5	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-47.7	175.6	-77	-62.3	0	0	0	112.7	S73 R76 G77 K254 S255 M256 K262 F274	S73-F258 WeakPolarHBondContact O-CZ 3.49Å; R76-F258 HydrophobicContact CB-CD1 4.43Å; R76-F258 HydrophobicContact CB-CD2 3.63Å; R76-F258 HydrophobicContact CB-CE1 4.35Å; R76-F258 HydrophobicContact CB-CE2 3.55Å; R76-F258 HydrophobicContact CB-CG 4.13Å; R76-F258 HydrophobicContact CB-CZ 3.95Å; R76-F258 HydrophobicContact CG-CE2 4.49Å; G77-F258 VanDerWaalsContact N-CD1 3.28Å; K254-F258 HydrophobicContact CB-CD2 4.35Å; K254-F258 HydrophobicContact CB-CE2 4.04Å; K254-F258 WeakPolarHBondContact O-CD2 2.94Å; K254-F258 PolarHBondContact O-N 2.9Å; S255-F258 WeakPolarHBondContact O-CB 3.24Å; S255-F258 PolarHBondContact O-N 3.14Å; M256-F258 PolarHBondContact O-N 2.85Å; F258-K262 VanDerWaalsContact O-CB 3.29Å; F258-K262 WeakPolarHBondContact O-CB 3.29Å; F258-K262 PolarHBondContact O-N 3.12Å; F258-F274 AromaticContact CD1-CD1 3.49Å; F258-F274 HydrophobicContact CD1-CD1 3.49Å; F258-F274 VanDerWaalsContact CD1-CD1 3.49Å; F258-F274 HydrophobicContact CD1-CE1 4.18Å; F258-F274 HydrophobicContact CD1-CG 4.4Å; F258-F274 HydrophobicContact CE1-CB 3.98Å; F258-F274 AromaticContact CE1-CD1 3.34Å; F258-F274 HydrophobicContact CE1-CD1 3.34Å; F258-F274 HydrophobicContact CE1-CE1 4.13Å; F258-F274 AromaticContact CE1-CG 3.92Å; F258-F274 HydrophobicContact CE1-CG 3.92Å; F258-F274 WeakPolarHBondContact CE1-O 3.37Å; F258-F274 HydrophobicContact CG-CD1 4.43Å; F258-F274 HydrophobicContact CZ-CD1 4.2Å; F258-F274 WeakPolarHBondContact CZ-O 3.5Å
259	G	83.9	Confident	80.2	Confident	24 Å²	24	58.6 Å²	58.6	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-50.7	176.3	0	0	0	0	0	111.9	S255 M256 L261 K262 D263	S255-G259 PolarHBondContact O-N 3.24Å; S255-G259 VanDerWaalsContact O-N 3.08Å; M256-G259 PolarHBondContact O-N 3.12Å; M256-G259 VanDerWaalsContact O-N 3.11Å; G259-L261 VanDerWaalsContact C-N 3.33Å; G259-L261 PolarHBondContact O-N 2.71Å; G259-K262 WeakPolarHBondContact O-CA 3.33Å; G259-K262 WeakPolarHBondContact O-CB 3.36Å; G259-K262 PolarHBondContact O-N 2.88Å; G259-D263 VanDerWaalsContact O-CG 3.23Å; G259-D263 PolarHBondContact O-N 2.76Å
260	M	86.4	Confident	79.5	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-41	-179.2	-70	167.1	170.9	0	0	112.8	F247 V251 M256 D263 R295 I302 I304	F247-M260 HydrophobicContact CD1-SD 4.26Å; F247-M260 HydrophobicContact CE1-CB 4.3Å; F247-M260 HydrophobicContact CE1-SD 4.36Å; V251-M260 HydrophobicContact CG1-CE 4.46Å; V251-M260 HydrophobicContact CG1-SD 4.38Å; V251-M260 HydrophobicContact CG2-CE 4.05Å; V251-M260 HydrophobicContact CG2-SD 4Å; M256-M260 WeakPolarHBondContact O-CB 2.98Å; M256-M260 VanDerWaalsContact O-CG 3.26Å; M256-M260 WeakPolarHBondContact O-CG 2.91Å; M256-M260 PolarHBondContact O-N 2.95Å; M260-D263 PolarHBondContact O-N 2.92Å; M260-R295 VanDerWaalsContact CE-CA 3.45Å; M260-R295 HydrophobicContact CE-CB 3.48Å; M260-R295 VanDerWaalsContact CE-CB 3.48Å; M260-R295 HydrophobicContact CE-CG 3.75Å; M260-I302 HydrophobicContact CE-CG1 3.8Å; M260-I302 HydrophobicContact SD-CG1 4.42Å; M260-I302 HydrophobicContact SD-CG2 4.49Å; M260-I304 HydrophobicContact CB-CD1 3.91Å
261	L	86.5	Confident	79	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-36.1	175.4	-168.3	70.5	0	0	0	111.8	R257 G259 D263 H264 T268 F274 L279 I306	R257-L261 WeakPolarHBondContact O-CB 3.47Å; R257-L261 PolarHBondContact O-N 3.11Å; G259-L261 VanDerWaalsContact C-N 3.33Å; G259-L261 PolarHBondContact O-N 2.71Å; L261-D263 VanDerWaalsContact C-N 3.29Å; L261-D263 PolarHBondContact O-N 2.79Å; L261-H264 PolarHBondContact O-N 2.96Å; L261-H264 VanDerWaalsContact O-N 3.09Å; L261-T268 HydrophobicContact CD1-CG2 4.09Å; L261-F274 HydrophobicContact CB-CD1 4.31Å; L261-F274 HydrophobicContact CB-CE1 4.24Å; L261-F274 HydrophobicContact CD2-CB 3.8Å; L261-F274 HydrophobicContact CD2-CD1 3.35Å; L261-F274 HydrophobicContact CD2-CD2 3.76Å; L261-F274 HydrophobicContact CD2-CE1 3.77Å; L261-F274 HydrophobicContact CD2-CE2 4.16Å; L261-F274 HydrophobicContact CD2-CG 3.36Å; L261-F274 HydrophobicContact CD2-CZ 4.15Å; L261-F274 HydrophobicContact CG-CD1 4.47Å; L261-L279 HydrophobicContact CD2-CD1 4.07Å; L261-L279 HydrophobicContact CD2-CD2 4.33Å; L261-I306 HydrophobicContact CD1-CD1 3.96Å
262	K	84.2	Confident	79	Confident	151 Å²	151	55.8 Å²	55.8	66%	0.657	32%	0.318	S	S	*	.	H	α-helix	trans	-65.1	-33.1	177	-173.2	-178.7	177.8	-174.4	0	112	F258 G259 H264 Q265	F258-K262 VanDerWaalsContact O-CB 3.29Å; F258-K262 WeakPolarHBondContact O-CB 3.29Å; F258-K262 PolarHBondContact O-N 3.12Å; G259-K262 WeakPolarHBondContact O-CA 3.33Å; G259-K262 WeakPolarHBondContact O-CB 3.36Å; G259-K262 PolarHBondContact O-N 2.88Å; K262-H264 PolarHBondContact O-N 2.7Å; K262-Q265 WeakPolarHBondContact O-CB 3.3Å; K262-Q265 PolarHBondContact O-N 2.94Å; K262-Q265 VanDerWaalsContact O-N 3.15Å
263	D	85.3	Confident	79.3	Confident	89 Å²	89	49.6 Å²	49.6	48%	0.476	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.3	174.6	-61.1	-24.8	0	0	0	112.1	G259 M260 L261	G259-D263 VanDerWaalsContact O-CG 3.23Å; G259-D263 PolarHBondContact O-N 2.76Å; M260-D263 PolarHBondContact O-N 2.92Å; L261-D263 VanDerWaalsContact C-N 3.29Å; L261-D263 PolarHBondContact O-N 2.79Å
264	H	85.1	Confident	79.8	Confident	29 Å²	29	47.1 Å²	47.1	13%	0.134	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	24.9	179.8	-57.6	-11.8	0	0	0	113.2	L261 K262 A266 I267 T268 L291 K292	L261-H264 PolarHBondContact O-N 2.96Å; L261-H264 VanDerWaalsContact O-N 3.09Å; K262-H264 PolarHBondContact O-N 2.7Å; H264-A266 PolarHBondContact O-N 3.36Å; H264-A266 VanDerWaalsContact O-N 3.11Å; H264-I267 PolarHBondContact O-N 3.44Å; H264-T268 PolarHBondContact O-N 3.19Å; H264-T268 VanDerWaalsContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.15Å; H264-L291 HydrophobicContact CB-CD1 3.9Å; H264-L291 WeakPolarHBondContact CD2-CB 3.27Å; H264-L291 VanDerWaalsContact CD2-CD1 3.46Å; H264-L291 WeakPolarHBondContact CD2-CD1 3.46Å; H264-K292 PolarHBondContact CE1-O 3.44Å; H264-K292 PolarHBondContact NE2-O 3.32Å
265	Q	80.8	Confident	80.1	Confident	89 Å²	89	44.6 Å²	44.6	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-26.7	-179.6	-164.7	174.8	18.4	0	0	113.7	K262 I267 G269 S270	K262-Q265 WeakPolarHBondContact O-CB 3.3Å; K262-Q265 PolarHBondContact O-N 2.94Å; K262-Q265 VanDerWaalsContact O-N 3.15Å; Q265-I267 PolarHBondContact O-N 3.28Å; Q265-G269 WeakPolarHBondContact CG-O 3.35Å; Q265-G269 CarbonylContact O-C 3.56Å; Q265-G269 VanDerWaalsContact O-C 3.24Å; Q265-G269 VanDerWaalsContact O-CA 3.24Å; Q265-G269 WeakPolarHBondContact O-CA 3.12Å; Q265-G269 PolarHBondContact O-N 3.08Å; Q265-S270 PolarHBondContact NE2-O 3.47Å
266	A	78.9	Confident	80.4	Confident	107 Å²	107	41.5 Å²	41.5	88%	0.884	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-29.8	174.7	0	0	0	0	0	112.9	H264	H264-A266 PolarHBondContact O-N 3.36Å; H264-A266 VanDerWaalsContact O-N 3.11Å
267	I	79.2	Confident	80.6	Confident	80 Å²	80	40.5 Å²	40.5	41%	0.41	24%	0.24	S	C	.	.	H	α-helix	trans	-98.8	-46.1	-176.3	-59.1	171.6	0	0	0	110.6	H264 Q265 G269 L289 L291	H264-I267 PolarHBondContact O-N 3.44Å; Q265-I267 PolarHBondContact O-N 3.28Å; I267-G269 PolarHBondContact O-N 3Å; I267-L289 HydrophobicContact CG2-CD1 3.9Å; I267-L289 HydrophobicContact CG2-CD2 3.86Å; I267-L289 HydrophobicContact CG2-CG 4.49Å; I267-L291 HydrophobicContact CD1-CD2 3.49Å; I267-L291 VanDerWaalsContact CD1-CD2 3.49Å; I267-L291 HydrophobicContact CG2-CD2 4.47Å
268	T	74.6	Confident	80.9	Confident	8 Å²	8	41.1 Å²	41.1	5%	0.049	25%	0.245	C	C	.	.	H	α-helix	trans	-75.9	-10.2	179.9	60.3	0	0	0	0	112.9	L261 H264 L279 L281 I306	L261-T268 HydrophobicContact CD1-CG2 4.09Å; H264-T268 PolarHBondContact O-N 3.19Å; H264-T268 VanDerWaalsContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.15Å; T268-L279 HydrophobicContact CG2-CD2 4.36Å; T268-L281 WeakPolarHBondContact O-CD2 2.98Å; T268-I306 HydrophobicContact CG2-CD1 4.02Å
269	G	74.8	Confident	81	Confident	31 Å²	31	40.2 Å²	40.2	32%	0.32	24%	0.241	S	C	.	.			trans	81.4	168.2	-172.4	0	0	0	0	0	112.8	Q265 I267 V271	Q265-G269 WeakPolarHBondContact CG-O 3.35Å; Q265-G269 CarbonylContact O-C 3.56Å; Q265-G269 VanDerWaalsContact O-C 3.24Å; Q265-G269 VanDerWaalsContact O-CA 3.24Å; Q265-G269 WeakPolarHBondContact O-CA 3.12Å; Q265-G269 PolarHBondContact O-N 3.08Å; I267-G269 PolarHBondContact O-N 3Å; G269-V271 PolarHBondContact O-N 3.31Å
270	S	68.7	Low	81.3	Confident	77 Å²	77	39.7 Å²	39.7	54%	0.538	23%	0.232	S	C	.	.	S	Bend	trans	-75.5	-11.8	-177.7	60.2	0	0	0	0	114.1	Q265	Q265-S270 PolarHBondContact NE2-O 3.47Å
271	V	69.7	Low	81.4	Confident	20 Å²	20	39.5 Å²	39.5	12%	0.121	23%	0.231	C	C	.	.			trans	-122.5	100.4	-171.3	-173.9	0	0	0	0	108.8	G269 P282 R551 W552	G269-V271 PolarHBondContact O-N 3.31Å; V271-P282 HydrophobicContact CB-CG 4.21Å; V271-P282 HydrophobicContact CG1-CG 4.12Å; V271-P282 WeakPolarHBondContact O-CD 3.37Å; V271-R551 HydrophobicContact CB-CB 4.5Å; V271-R551 HydrophobicContact CG1-CB 4.11Å; V271-R551 HydrophobicContact CG2-CB 3.6Å; V271-R551 HydrophobicContact CG2-CG 3.65Å; V271-W552 HydrophobicContact CG1-CD2 3.91Å; V271-W552 VanDerWaalsContact CG1-CE2 3.4Å; V271-W552 HydrophobicContact CG1-CG 4.13Å; V271-W552 HydrophobicContact CG1-CZ2 3.83Å; V271-W552 VanDerWaalsContact CG1-NE1 3.26Å
272	T	77.5	Confident	81.3	Confident	23 Å²	23	40.2 Å²	40.2	14%	0.141	24%	0.236	C	C	.	.			trans	-136.8	138	-177	66.1	0	0	0	0	110.2	L78 L279 L281	L78-T272 WeakPolarHBondContact CD2-O 3.46Å; T272-L279 HydrophobicContact CG2-CD1 4.27Å; T272-L281 HydrophobicContact CG2-CD2 3.45Å; T272-L281 VanDerWaalsContact CG2-CD2 3.45Å
273	A	81.1	Confident	81.3	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.8	165.9	0	0	0	0	0	108.3	L78 L279 Y280 F322 W552	L78-A273 HydrophobicContact CD1-CB 4.09Å; L78-A273 HydrophobicContact CG-CB 4.46Å; A273-L279 CarbonylContact O-C 3.55Å; A273-L279 WeakPolarHBondContact O-CA 3.05Å; A273-Y280 HydrophobicContact CB-CD2 4.44Å; A273-Y280 PolarHBondContact N-O 3.41Å; A273-Y280 PolarHBondContact O-N 3.25Å; A273-F322 HydrophobicContact CB-CB 4.18Å; A273-F322 HydrophobicContact CB-CD2 4.21Å; A273-F322 HydrophobicContact CB-CG 4.18Å; A273-W552 HydrophobicContact CB-CH2 3.67Å; A273-W552 HydrophobicContact CB-CZ2 3.76Å
274	F	83.9	Confident	81.4	Confident	2 Å²	2	39 Å²	39	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.4	-174.6	-179.1	-132.7	0	0	0	110.6	M74 V245 F247 R257 F258 L261 G276 I278 L279	M74-F274 WeakPolarHBondContact CA-O 3.38Å; V245-F274 HydrophobicContact CB-CE2 3.76Å; V245-F274 HydrophobicContact CB-CZ 4.15Å; V245-F274 HydrophobicContact CG1-CE2 4.29Å; V245-F274 HydrophobicContact CG1-CZ 4.24Å; V245-F274 HydrophobicContact CG2-CD2 4.26Å; V245-F274 HydrophobicContact CG2-CE2 3.67Å; V245-F274 HydrophobicContact CG2-CZ 4.42Å; F247-F274 AromaticContact CE2-CZ 3.99Å; F247-F274 HydrophobicContact CE2-CZ 3.99Å; F247-F274 HydrophobicContact CZ-CE1 4.32Å; F247-F274 AromaticContact CZ-CZ 3.94Å; F247-F274 HydrophobicContact CZ-CZ 3.94Å; R257-F274 HydrophobicContact CB-CE1 4.14Å; F258-F274 AromaticContact CD1-CD1 3.49Å; F258-F274 HydrophobicContact CD1-CD1 3.49Å; F258-F274 VanDerWaalsContact CD1-CD1 3.49Å; F258-F274 HydrophobicContact CD1-CE1 4.18Å; F258-F274 HydrophobicContact CD1-CG 4.4Å; F258-F274 HydrophobicContact CE1-CB 3.98Å; F258-F274 AromaticContact CE1-CD1 3.34Å; F258-F274 HydrophobicContact CE1-CD1 3.34Å; F258-F274 HydrophobicContact CE1-CE1 4.13Å; F258-F274 AromaticContact CE1-CG 3.92Å; F258-F274 HydrophobicContact CE1-CG 3.92Å; F258-F274 WeakPolarHBondContact CE1-O 3.37Å; F258-F274 HydrophobicContact CG-CD1 4.43Å; F258-F274 HydrophobicContact CZ-CD1 4.2Å; F258-F274 WeakPolarHBondContact CZ-O 3.5Å; L261-F274 HydrophobicContact CB-CD1 4.31Å; L261-F274 HydrophobicContact CB-CE1 4.24Å; L261-F274 HydrophobicContact CD2-CB 3.8Å; L261-F274 HydrophobicContact CD2-CD1 3.35Å; L261-F274 HydrophobicContact CD2-CD2 3.76Å; L261-F274 HydrophobicContact CD2-CE1 3.77Å; L261-F274 HydrophobicContact CD2-CE2 4.16Å; L261-F274 HydrophobicContact CD2-CG 3.36Å; L261-F274 HydrophobicContact CD2-CZ 4.15Å; L261-F274 HydrophobicContact CG-CD1 4.47Å; F274-G276 VanDerWaalsContact CE2-C 3.5Å; F274-I278 WeakPolarHBondContact CA-O 3.21Å; F274-I278 VanDerWaalsContact CD2-O 3.24Å; F274-I278 WeakPolarHBondContact CD2-O 3.41Å; F274-L279 HydrophobicContact CB-CD1 4.03Å; F274-L279 HydrophobicContact CD2-CB 3.91Å; F274-L279 HydrophobicContact CD2-CD1 4.48Å
275	D	79.2	Confident	81.4	Confident	17 Å²	17	39 Å²	39	9%	0.091	24%	0.236	C	C	.	.			trans	-106.1	6.5	179.8	87.7	-8.3	0	0	0	114.1	S73 M74 S277 I278	S73-D275 WeakPolarHBondContact CB-O 3.36Å; S73-D275 WeakPolarHBondContact OG-CB 3.4Å; S73-D275 PolarHBondContact OG-O 2.97Å; M74-D275 HydrophobicContact CB-CB 4.47Å; M74-D275 HydrophobicContact CE-CB 4.14Å; M74-D275 HydrophobicContact CG-CB 3.42Å; M74-D275 VanDerWaalsContact CG-CB 3.42Å; D275-S277 PolarHBondContact OD1-N 3.18Å; D275-I278 PolarHBondContact N-O 3.13Å; D275-I278 PolarHBondContact OD1-N 3.05Å
276	G	80.8	Confident	81.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	94	-7.5	-172.7	0	0	0	0	0	114.1	R257 F274	R257-G276 WeakPolarHBondContact CD-O 3.37Å; R257-G276 PolarHBondContact NH1-O 3.16Å; F274-G276 VanDerWaalsContact CE2-C 3.5Å
277	S	85.3	Confident	81	Confident	40 Å²	40	46.3 Å²	46.3	28%	0.28	25%	0.252	S	S	.	.	S	Bend	trans	-150.1	-26.7	173.7	-60.4	0	0	0	0	113.6	H244 V245 R257 D275	H244-S277 WeakPolarHBondContact CA-O 3.47Å; H244-S277 PolarHBondContact ND1-O 2.82Å; V245-S277 PolarHBondContact N-O 2.8Å; R257-S277 PolarHBondContact NH1-OG 2.9Å; D275-S277 PolarHBondContact OD1-N 3.18Å
278	I	88.2	Confident	80.7	Confident	45 Å²	45	46.2 Å²	46.2	23%	0.231	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.1	176.8	-57.1	177.1	0	0	0	108.3	Q242 Y243 F274 D275 Y280	Q242-I278 HydrophobicContact CG-CG2 3.55Å; Y243-I278 CarbonylContact O-C 3.55Å; Y243-I278 WeakPolarHBondContact O-CA 3.4Å; F274-I278 WeakPolarHBondContact CA-O 3.21Å; F274-I278 VanDerWaalsContact CD2-O 3.24Å; F274-I278 WeakPolarHBondContact CD2-O 3.41Å; D275-I278 PolarHBondContact N-O 3.13Å; D275-I278 PolarHBondContact OD1-N 3.05Å; I278-Y280 HydrophobicContact CG2-CD2 4.33Å; I278-Y280 HydrophobicContact CG2-CE1 4.32Å; I278-Y280 HydrophobicContact CG2-CE2 3.67Å
279	L	87.9	Confident	81	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.3	178.7	170.8	64.1	0	0	0	109.2	Q242 Y243 V245 L261 T268 T272 A273 F274 L281 I306	Q242-L279 CarbonylContact C-O 3.58Å; Y243-L279 PolarHBondContact N-O 3.36Å; Y243-L279 PolarHBondContact O-N 3.11Å; V245-L279 HydrophobicContact CG2-CB 3.63Å; V245-L279 HydrophobicContact CG2-CD2 4.26Å; L261-L279 HydrophobicContact CD2-CD1 4.07Å; L261-L279 HydrophobicContact CD2-CD2 4.33Å; T268-L279 HydrophobicContact CG2-CD2 4.36Å; T272-L279 HydrophobicContact CG2-CD1 4.27Å; A273-L279 CarbonylContact O-C 3.55Å; A273-L279 WeakPolarHBondContact O-CA 3.05Å; F274-L279 HydrophobicContact CB-CD1 4.03Å; F274-L279 HydrophobicContact CD2-CB 3.91Å; F274-L279 HydrophobicContact CD2-CD1 4.48Å; L279-L281 HydrophobicContact CD1-CD2 3.85Å; L279-L281 HydrophobicContact CD1-CG 4.34Å; L279-L281 HydrophobicContact CD2-CD1 4.16Å; L279-L281 HydrophobicContact CD2-CD2 4.26Å; L279-L281 HydrophobicContact CD2-CG 4.24Å; L279-L281 HydrophobicContact CG-CD1 4.48Å; L279-L281 HydrophobicContact CG-CD2 4.06Å; L279-L281 HydrophobicContact CG-CG 4.03Å; L279-I306 HydrophobicContact CD2-CD1 4.37Å; L279-I306 HydrophobicContact CD2-CG2 4.25Å
280	Y	88.3	Confident	81.5	Confident	14 Å²	14	52.1 Å²	52.1	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.5	171	-57.9	-88.1	0	0	0	109.8	M74 V240 Y241 Q242 A273 I278 L312 F322	M74-Y280 HydrophobicContact CE-CE2 3.87Å; M74-Y280 HydrophobicContact SD-CE2 4.13Å; V240-Y280 HydrophobicContact CG1-CD1 4.28Å; Y241-Y280 WeakPolarHBondContact O-CA 3.35Å; Q242-Y280 HydrophobicContact CB-CD1 4Å; Q242-Y280 HydrophobicContact CB-CE1 3.89Å; Q242-Y280 HydrophobicContact CG-CD1 4.07Å; Q242-Y280 HydrophobicContact CG-CE1 3.6Å; A273-Y280 HydrophobicContact CB-CD2 4.44Å; A273-Y280 PolarHBondContact N-O 3.41Å; A273-Y280 PolarHBondContact O-N 3.25Å; I278-Y280 HydrophobicContact CG2-CD2 4.33Å; I278-Y280 HydrophobicContact CG2-CE1 4.32Å; I278-Y280 HydrophobicContact CG2-CE2 3.67Å; Y280-L312 HydrophobicContact CD1-CD1 4.11Å; Y280-L312 HydrophobicContact CE1-CD1 3.73Å; Y280-F322 HydrophobicContact CD1-CE1 4.37Å; Y280-F322 HydrophobicContact CD2-CD1 4.44Å; Y280-F322 HydrophobicContact CG-CD1 4.45Å; Y280-F322 HydrophobicContact CG-CE1 4.22Å
281	L	88.5	Confident	82.4	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144	177.7	-58.5	178	0	0	0	110.8	Y241 Y243 T268 T272 L279 V283 L285	Y241-L281 PolarHBondContact N-O 2.94Å; Y241-L281 PolarHBondContact O-N 3.31Å; Y243-L281 HydrophobicContact CD2-CD1 4.05Å; Y243-L281 HydrophobicContact CD2-CG 4.16Å; Y243-L281 HydrophobicContact CE2-CB 3.99Å; Y243-L281 HydrophobicContact CE2-CD1 3.66Å; Y243-L281 HydrophobicContact CE2-CG 3.91Å; T268-L281 WeakPolarHBondContact O-CD2 2.98Å; T272-L281 HydrophobicContact CG2-CD2 3.45Å; T272-L281 VanDerWaalsContact CG2-CD2 3.45Å; L279-L281 HydrophobicContact CD1-CD2 3.85Å; L279-L281 HydrophobicContact CD1-CG 4.34Å; L279-L281 HydrophobicContact CD2-CD1 4.16Å; L279-L281 HydrophobicContact CD2-CD2 4.26Å; L279-L281 HydrophobicContact CD2-CG 4.24Å; L279-L281 HydrophobicContact CG-CD1 4.48Å; L279-L281 HydrophobicContact CG-CD2 4.06Å; L279-L281 HydrophobicContact CG-CG 4.03Å; L281-V283 VanDerWaalsContact C-N 3.25Å; L281-V283 WeakPolarHBondContact CB-O 3.06Å; L281-L285 HydrophobicContact CD1-CD1 3.51Å; L281-L285 HydrophobicContact CD1-CD2 4.07Å; L281-L285 HydrophobicContact CD1-CG 3.72Å
282	P	85.6	Confident	83.3	Confident	20 Å²	20	54.6 Å²	54.6	13%	0.13	28%	0.275	C	S	.	.	S	Bend	trans	-74.7	-16.3	171	30	-32.8	0	0	0	112.9	N237 V271 W552	N237-P282 WeakPolarHBondContact ND2-CB 3.4Å; V271-P282 HydrophobicContact CB-CG 4.21Å; V271-P282 HydrophobicContact CG1-CG 4.12Å; V271-P282 WeakPolarHBondContact O-CD 3.37Å; P282-W552 HydrophobicContact CB-CE3 4.34Å
283	V	84.6	Confident	83.8	Confident	105 Å²	105	53.9 Å²	53.9	64%	0.636	27%	0.271	S	S	*	.	S	Bend	trans	-117.9	143.8	-177.3	-177	0	0	0	0	110.1	Y241 L281	Y241-V283 VanDerWaalsContact CD2-C 3.4Å; L281-V283 VanDerWaalsContact C-N 3.25Å; L281-V283 WeakPolarHBondContact CB-O 3.06Å
284	K	86.9	Confident	84	Confident	109 Å²	109	60.2 Å²	60.2	47%	0.474	30%	0.3	S	S	.	.			trans	-76.9	130.5	177.9	-163.8	177.3	177.8	-177.6	0	110.8	Y241 Y243	Y241-K284 HydrophobicContact CD1-CB 4.06Å; Y241-K284 HydrophobicContact CD1-CD 4.4Å; Y241-K284 HydrophobicContact CD1-CG 3.87Å; Y241-K284 HydrophobicContact CD2-CB 4.12Å; Y241-K284 HydrophobicContact CE1-CB 3.71Å; Y241-K284 HydrophobicContact CE1-CD 3.8Å; Y241-K284 HydrophobicContact CE1-CG 3.67Å; Y241-K284 HydrophobicContact CE2-CB 3.78Å; Y241-K284 HydrophobicContact CG-CB 4.25Å; Y241-K284 HydrophobicContact CG-CG 4.42Å; Y243-K284 WeakPolarHBondContact OH-CA 3.47Å
285	L	85.5	Confident	83.8	Confident	28 Å²	28	62.4 Å²	62.4	15%	0.147	31%	0.308	C	S	.	.			trans	-83.2	132.4	167.9	-59.6	173.5	0	0	0	108.2	Y243 L281 Q287 L289 I306	Y243-L285 HydrophobicContact CD1-CD1 4.09Å; Y243-L285 HydrophobicContact CE1-CB 3.87Å; Y243-L285 HydrophobicContact CE1-CD1 3.75Å; Y243-L285 HydrophobicContact CE1-CG 4.02Å; Y243-L285 HydrophobicContact CE2-CD1 4.3Å; Y243-L285 HydrophobicContact CE2-CG 4.49Å; Y243-L285 PolarHBondContact OH-N 3.31Å; L281-L285 HydrophobicContact CD1-CD1 3.51Å; L281-L285 HydrophobicContact CD1-CD2 4.07Å; L281-L285 HydrophobicContact CD1-CG 3.72Å; L285-Q287 PolarHBondContact O-N 3.26Å; L285-L289 HydrophobicContact CB-CD1 4.06Å; L285-L289 HydrophobicContact CD1-CD1 3.78Å; L285-L289 HydrophobicContact CD2-CD1 4.03Å; L285-L289 HydrophobicContact CG-CD1 4.17Å; L285-I306 HydrophobicContact CD1-CG2 4.09Å
286	Q	75.1	Confident	83.7	Confident	189 Å²	189	70.1 Å²	70.1	88%	0.883	34%	0.341	S	S	*	.	S	Bend	trans	-74	-26	-171.4	-66.8	-158.6	-7.7	0	0	114
287	Q	75.8	Confident	83.5	Confident	161 Å²	161	74.9 Å²	74.9	75%	0.752	37%	0.37	S	S	*	.	S	Bend	trans	-143.2	164.7	-178	-64.9	-177.4	5.3	0	0	111.7	L285 L289	L285-Q287 PolarHBondContact O-N 3.26Å; Q287-L289 PolarHBondContact O-N 3.46Å
288	V	73.1	Confident	83.3	Confident	79 Å²	79	77.2 Å²	77.2	48%	0.479	38%	0.38	S	S	.	.			trans	-62.1	122.5	168.5	178.1	0	0	0	0	107.7	K305 Q307	V288-K305 HydrophobicContact CG1-CG 4.24Å; V288-Q307 HydrophobicContact CG2-CG 4.4Å
289	L	81.5	Confident	83	Confident	43 Å²	43	79.2 Å²	79.2	23%	0.225	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.5	-176.3	-78.9	146.7	0	0	0	109.3	I267 L285 Q287 L291 K305 I306	I267-L289 HydrophobicContact CG2-CD1 3.9Å; I267-L289 HydrophobicContact CG2-CD2 3.86Å; I267-L289 HydrophobicContact CG2-CG 4.49Å; L285-L289 HydrophobicContact CB-CD1 4.06Å; L285-L289 HydrophobicContact CD1-CD1 3.78Å; L285-L289 HydrophobicContact CD2-CD1 4.03Å; L285-L289 HydrophobicContact CG-CD1 4.17Å; Q287-L289 PolarHBondContact O-N 3.46Å; L289-L291 HydrophobicContact CB-CD2 4.4Å; L289-L291 HydrophobicContact CB-CG 4.37Å; L289-L291 HydrophobicContact CD2-CD2 4.19Å; L289-K305 CarbonylContact O-C 3.56Å; L289-K305 WeakPolarHBondContact O-CA 3.42Å; L289-I306 HydrophobicContact CB-CB 4.37Å; L289-I306 PolarHBondContact N-O 3.36Å; L289-I306 PolarHBondContact O-N 3.49Å
290	E	84.2	Confident	82.6	Confident	120 Å²	120	80.5 Å²	80.5	56%	0.561	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.6	165.3	-68.3	-170.1	174	0	0	107.9	K305	E290-K305 HydrophobicContact CG-CB 4.23Å; E290-K305 HydrophobicContact CG-CD 4.42Å; E290-K305 HydrophobicContact CG-CG 4.13Å; E290-K305 IonicContact OE1-NZ 3.22Å; E290-K305 PolarHBondContact OE1-NZ 3.28Å; E290-K305 VanDerWaalsContact OE1-NZ 3.12Å
291	L	87.1	Confident	82.6	Confident	15 Å²	15	85.2 Å²	85.2	8%	0.079	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150	-177.4	-52.7	174.9	0	0	0	109.3	H264 I267 L289 S303 I304 I306	H264-L291 HydrophobicContact CB-CD1 3.9Å; H264-L291 WeakPolarHBondContact CD2-CB 3.27Å; H264-L291 VanDerWaalsContact CD2-CD1 3.46Å; H264-L291 WeakPolarHBondContact CD2-CD1 3.46Å; I267-L291 HydrophobicContact CD1-CD2 3.49Å; I267-L291 VanDerWaalsContact CD1-CD2 3.49Å; I267-L291 HydrophobicContact CG2-CD2 4.47Å; L289-L291 HydrophobicContact CB-CD2 4.4Å; L289-L291 HydrophobicContact CB-CG 4.37Å; L289-L291 HydrophobicContact CD2-CD2 4.19Å; L291-S303 CarbonylContact O-C 3.6Å; L291-S303 WeakPolarHBondContact O-CA 3.2Å; L291-I304 HydrophobicContact CB-CB 4.29Å; L291-I304 PolarHBondContact N-O 3.38Å; L291-I304 PolarHBondContact O-N 2.88Å; L291-I306 HydrophobicContact CD1-CD1 3.79Å
292	K	88.6	Confident	82.7	Confident	134 Å²	134	85 Å²	85	58%	0.583	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	176.8	-69.8	179.5	163.4	-141.1	0	109.6	H264 E301	H264-K292 PolarHBondContact CE1-O 3.44Å; H264-K292 PolarHBondContact NE2-O 3.32Å; K292-E301 WeakPolarHBondContact CD-OE1 3.06Å; K292-E301 IonicContact NZ-OE1 2.83Å; K292-E301 PolarHBondContact NZ-OE1 3.44Å; K292-E301 IonicContact NZ-OE2 2.74Å; K292-E301 PolarHBondContact NZ-OE2 3.1Å
293	S	88.2	Confident	82.8	Confident	8 Å²	8	86 Å²	86	6%	0.056	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.5	175.2	-171.2	0	0	0	0	110	I302	S293-I302 PolarHBondContact N-O 2.89Å; S293-I302 PolarHBondContact O-N 2.82Å
294	Q	85.8	Confident	83.1	Confident	132 Å²	132	81 Å²	81	62%	0.617	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.8	176.4	-71	-177.6	0.4	0	0	110.6	K296	Q294-K296 PolarHBondContact O-N 3.43Å
295	R	80	Confident	83.3	Confident	49 Å²	49	79.2 Å²	79.2	19%	0.185	40%	0.399	C	S	.	.			trans	-77.3	121.4	177.2	-179.8	168.5	49.1	-168	-4.7	110.7	M256 M260 T297 D298 S299 A300 I302	M256-R295 HydrophobicContact SD-CG 4.18Å; M260-R295 VanDerWaalsContact CE-CA 3.45Å; M260-R295 HydrophobicContact CE-CB 3.48Å; M260-R295 VanDerWaalsContact CE-CB 3.48Å; M260-R295 HydrophobicContact CE-CG 3.75Å; R295-T297 WeakPolarHBondContact CG-OG1 3.26Å; R295-T297 PolarHBondContact O-N 3.46Å; R295-D298 WeakPolarHBondContact CB-OD1 3.41Å; R295-D298 WeakPolarHBondContact CG-OD1 3.37Å; R295-D298 IonicContact CZ-OD1 3.14Å; R295-D298 IonicContact CZ-OD2 3.12Å; R295-D298 VanDerWaalsContact NE-CG 3.34Å; R295-D298 IonicContact NE-OD1 3.17Å; R295-D298 PolarHBondContact NE-OD1 3.49Å; R295-D298 IonicContact NE-OD2 3.52Å; R295-D298 PolarHBondContact NE-OD2 3.12Å; R295-D298 VanDerWaalsContact NE-OD2 3.17Å; R295-D298 IonicContact NH2-OD1 2.68Å; R295-D298 IonicContact NH2-OD2 3.52Å; R295-D298 PolarHBondContact NH2-OD2 3.17Å; R295-D298 PolarHBondContact O-N 3.37Å; R295-S299 WeakPolarHBondContact O-CA 3.05Å; R295-S299 PolarHBondContact O-N 3.3Å; R295-A300 PolarHBondContact N-O 3.19Å; R295-I302 HydrophobicContact CB-CD1 4.36Å; R295-I302 HydrophobicContact CB-CG1 3.98Å
296	K	77.7	Confident	83.5	Confident	178 Å²	178	78 Å²	78	77%	0.774	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.7	-174.7	-63.3	-172.8	179	-176.3	0	115.7	Q294	Q294-K296 PolarHBondContact O-N 3.43Å
297	T	76.7	Confident	84.2	Confident	101 Å²	101	73.9 Å²	73.9	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-34.9	-177.5	52.1	0	0	0	0	113.6	M256 R295	M256-T297 HydrophobicContact CE-CG2 4.34Å; M256-T297 HydrophobicContact SD-CG2 4.02Å; R295-T297 WeakPolarHBondContact CG-OG1 3.26Å; R295-T297 PolarHBondContact O-N 3.46Å
298	D	79.4	Confident	84.9	Confident	88 Å²	88	68.6 Å²	68.6	47%	0.471	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	7.1	-170.7	63.6	-7.3	0	0	0	113.1	R295 A300	R295-D298 WeakPolarHBondContact CB-OD1 3.41Å; R295-D298 WeakPolarHBondContact CG-OD1 3.37Å; R295-D298 IonicContact CZ-OD1 3.14Å; R295-D298 IonicContact CZ-OD2 3.12Å; R295-D298 VanDerWaalsContact NE-CG 3.34Å; R295-D298 IonicContact NE-OD1 3.17Å; R295-D298 PolarHBondContact NE-OD1 3.49Å; R295-D298 IonicContact NE-OD2 3.52Å; R295-D298 PolarHBondContact NE-OD2 3.12Å; R295-D298 VanDerWaalsContact NE-OD2 3.17Å; R295-D298 IonicContact NH2-OD1 2.68Å; R295-D298 IonicContact NH2-OD2 3.52Å; R295-D298 PolarHBondContact NH2-OD2 3.17Å; R295-D298 PolarHBondContact O-N 3.37Å; D298-A300 PolarHBondContact O-N 3.08Å; D298-A300 VanDerWaalsContact OD1-CB 3.3Å; D298-A300 WeakPolarHBondContact OD1-CB 3.23Å; D298-A300 PolarHBondContact OD1-N 3.21Å; D298-A300 VanDerWaalsContact OD1-N 3.14Å
299	S	81.9	Confident	85.7	Confident	88 Å²	88	67.6 Å²	67.6	62%	0.615	34%	0.344	S	S	*	.			trans	55.4	18	-176.3	-57.4	0	0	0	0	114.7	R295	R295-S299 WeakPolarHBondContact O-CA 3.05Å; R295-S299 PolarHBondContact O-N 3.3Å
300	A	81.3	Confident	86.1	Confident	27 Å²	27	70.9 Å²	70.9	22%	0.223	36%	0.356	C	S	.	.			trans	-65.2	136.6	178.1	0	0	0	0	0	110.9	R295 D298 I302	R295-A300 PolarHBondContact N-O 3.19Å; D298-A300 PolarHBondContact O-N 3.08Å; D298-A300 VanDerWaalsContact OD1-CB 3.3Å; D298-A300 WeakPolarHBondContact OD1-CB 3.23Å; D298-A300 PolarHBondContact OD1-N 3.21Å; D298-A300 VanDerWaalsContact OD1-N 3.14Å; A300-I302 PolarHBondContact O-N 3.35Å
301	E	88	Confident	86.5	Confident	112 Å²	112	69.1 Å²	69.1	52%	0.523	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.2	174.7	-167.9	174.7	-115.5	0	0	109.7	K292	K292-E301 WeakPolarHBondContact CD-OE1 3.06Å; K292-E301 IonicContact NZ-OE1 2.83Å; K292-E301 PolarHBondContact NZ-OE1 3.44Å; K292-E301 IonicContact NZ-OE2 2.74Å; K292-E301 PolarHBondContact NZ-OE2 3.1Å
302	I	89.3	Confident	86.6	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.3	177.5	-52.7	-56.7	0	0	0	108.3	F247 P249 V251 M260 S293 R295 A300 I304	F247-I302 HydrophobicContact CB-CG2 4.02Å; F247-I302 HydrophobicContact CD1-CG2 4.07Å; P249-I302 HydrophobicContact CG-CD1 4.44Å; V251-I302 HydrophobicContact CG2-CD1 4.06Å; V251-I302 HydrophobicContact CG2-CG1 4.1Å; V251-I302 HydrophobicContact CG2-CG2 4Å; M260-I302 HydrophobicContact CE-CG1 3.8Å; M260-I302 HydrophobicContact SD-CG1 4.42Å; M260-I302 HydrophobicContact SD-CG2 4.49Å; S293-I302 PolarHBondContact N-O 2.89Å; S293-I302 PolarHBondContact O-N 2.82Å; R295-I302 HydrophobicContact CB-CD1 4.36Å; R295-I302 HydrophobicContact CB-CG1 3.98Å; A300-I302 PolarHBondContact O-N 3.35Å; I302-I304 HydrophobicContact CG2-CG1 4.46Å
303	S	88.8	Confident	86.7	Confident	39 Å²	39	68 Å²	68	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.8	167.8	-179.8	0	0	0	0	110	F247 S248 L291	F247-S303 CarbonylContact C-O 3.58Å; F247-S303 WeakPolarHBondContact CA-O 3.3Å; S248-S303 PolarHBondContact N-O 3.22Å; S248-S303 PolarHBondContact O-N 3.06Å; L291-S303 CarbonylContact O-C 3.6Å; L291-S303 WeakPolarHBondContact O-CA 3.2Å
304	I	91.2	Very high	86.6	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.2	177.8	-50.5	175.6	0	0	0	107.5	V245 T246 F247 M260 L291 I302 I306	V245-I304 HydrophobicContact CG1-CG2 3.51Å; T246-I304 CarbonylContact O-C 3.48Å; T246-I304 WeakPolarHBondContact O-CA 3.3Å; F247-I304 HydrophobicContact CD1-CD1 4.28Å; F247-I304 HydrophobicContact CD1-CG1 3.79Å; F247-I304 HydrophobicContact CD1-CG2 4.36Å; F247-I304 HydrophobicContact CE1-CD1 3.88Å; F247-I304 HydrophobicContact CE1-CG1 3.84Å; F247-I304 HydrophobicContact CE1-CG2 4.01Å; F247-I304 HydrophobicContact CZ-CG2 4.3Å; M260-I304 HydrophobicContact CB-CD1 3.91Å; L291-I304 HydrophobicContact CB-CB 4.29Å; L291-I304 PolarHBondContact N-O 3.38Å; L291-I304 PolarHBondContact O-N 2.88Å; I302-I304 HydrophobicContact CG2-CG1 4.46Å; I304-I306 HydrophobicContact CG2-CG1 4.31Å
305	K	89.5	Confident	86.6	Confident	73 Å²	73	62.8 Å²	62.8	32%	0.317	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.7	177.3	177.6	174.7	-169.4	148.5	0	110.3	V245 T246 V288 L289 E290	V245-K305 WeakPolarHBondContact CA-O 3.4Å; T246-K305 PolarHBondContact N-O 2.95Å; T246-K305 PolarHBondContact O-N 3.41Å; T246-K305 WeakPolarHBondContact OG1-CB 3.42Å; T246-K305 PolarHBondContact OG1-O 3.03Å; V288-K305 HydrophobicContact CG1-CG 4.24Å; L289-K305 CarbonylContact O-C 3.56Å; L289-K305 WeakPolarHBondContact O-CA 3.42Å; E290-K305 HydrophobicContact CG-CB 4.23Å; E290-K305 HydrophobicContact CG-CD 4.42Å; E290-K305 HydrophobicContact CG-CG 4.13Å; E290-K305 IonicContact OE1-NZ 3.22Å; E290-K305 PolarHBondContact OE1-NZ 3.28Å; E290-K305 VanDerWaalsContact OE1-NZ 3.12Å
306	I	91	Very high	87	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.2	-179.7	-54.8	178.7	0	0	0	108.3	Y243 H244 V245 L261 T268 L279 L285 L289 L291 I304	Y243-I306 HydrophobicContact CD1-CG2 3.87Å; Y243-I306 HydrophobicContact CG-CG2 3.91Å; H244-I306 WeakPolarHBondContact O-CA 3.36Å; V245-I306 HydrophobicContact CG1-CG1 4.28Å; V245-I306 HydrophobicContact CG2-CG1 4.29Å; L261-I306 HydrophobicContact CD1-CD1 3.96Å; T268-I306 HydrophobicContact CG2-CD1 4.02Å; L279-I306 HydrophobicContact CD2-CD1 4.37Å; L279-I306 HydrophobicContact CD2-CG2 4.25Å; L285-I306 HydrophobicContact CD1-CG2 4.09Å; L289-I306 HydrophobicContact CB-CB 4.37Å; L289-I306 PolarHBondContact N-O 3.36Å; L289-I306 PolarHBondContact O-N 3.49Å; L291-I306 HydrophobicContact CD1-CD1 3.79Å; I304-I306 HydrophobicContact CG2-CG1 4.31Å
307	Q	89.4	Confident	87.4	Confident	103 Å²	103	56.8 Å²	56.8	48%	0.481	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.4	-177.4	-176.9	174.1	-10.4	0	0	110.9	Y243 H244 V288 T309	Y243-Q307 CarbonylContact C-O 3.34Å; Y243-Q307 WeakPolarHBondContact CA-O 3.41Å; H244-Q307 PolarHBondContact N-O 3.14Å; H244-Q307 PolarHBondContact O-N 2.88Å; V288-Q307 HydrophobicContact CG2-CG 4.4Å; Q307-T309 PolarHBondContact O-N 2.91Å
308	M	90.7	Very high	87.9	Confident	49 Å²	49	56 Å²	56	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.5	176.8	-165.7	174.9	63.8	0	0	110	L204 Y241 Y243 I311	L204-M308 HydrophobicContact CD1-CE 3.44Å; L204-M308 VanDerWaalsContact CD1-CE 3.44Å; Y241-M308 HydrophobicContact CD1-SD 4.1Å; Y243-M308 VanDerWaalsContact CD1-CA 3.44Å; Y243-M308 HydrophobicContact CD1-CB 3.71Å; Y243-M308 HydrophobicContact CD1-CG 4.15Å; Y243-M308 HydrophobicContact CE1-CB 3.61Å; Y243-M308 HydrophobicContact CE1-CG 3.83Å; Y243-M308 HydrophobicContact CE1-SD 4.38Å; M308-I311 HydrophobicContact CE-CD1 4.45Å; M308-I311 HydrophobicContact CE-CG1 4.42Å; M308-I311 HydrophobicContact SD-CG1 4.21Å
309	T	90.1	Very high	88.3	Confident	59 Å²	59	51.8 Å²	51.8	36%	0.362	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-43.8	-178.3	52.6	0	0	0	0	112.2	Q242 H244 Q307	Q242-T309 WeakPolarHBondContact CG-OG1 3.17Å; Q242-T309 PolarHBondContact O-N 3.26Å; Q242-T309 PolarHBondContact O-OG1 3.18Å; H244-T309 HydrophobicContact CB-CG2 3.67Å; Q307-T309 PolarHBondContact O-N 2.91Å
310	K	89.8	Confident	88.7	Confident	111 Å²	111	48.9 Å²	48.9	48%	0.483	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.9	-176.9	-61.1	-172.4	177.2	-169.6	0	111.3	Q242 L312	Q242-K310 HydrophobicContact CB-CB 4.15Å; Q242-K310 PolarHBondContact N-O 3.4Å; Q242-K310 PolarHBondContact O-N 3.18Å; K310-L312 HydrophobicContact CB-CD2 4.08Å; K310-L312 HydrophobicContact CB-CG 4.49Å; K310-L312 HydrophobicContact CD-CD2 4.48Å
311	I	91.9	Very high	89	Confident	83 Å²	83	49.5 Å²	49.5	43%	0.426	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.2	164.7	-56.1	178.1	0	0	0	105.7	L204 A239 Y241 M308	L204-I311 HydrophobicContact CD1-CD1 4.39Å; A239-I311 HydrophobicContact CB-CG2 3.53Å; Y241-I311 HydrophobicContact CD1-CG1 4.11Å; Y241-I311 HydrophobicContact CD1-CG2 4.32Å; Y241-I311 HydrophobicContact CE1-CD1 4.43Å; Y241-I311 HydrophobicContact CE1-CG1 4.27Å; Y241-I311 HydrophobicContact CE1-CG2 4.08Å; M308-I311 HydrophobicContact CE-CD1 4.45Å; M308-I311 HydrophobicContact CE-CG1 4.42Å; M308-I311 HydrophobicContact SD-CG1 4.21Å
312	L	90.1	Very high	88.8	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.7	-176	-58.1	177.8	0	0	0	109.9	A239 V240 Q242 Y280 K310 L318	A239-L312 CarbonylContact C-O 3.6Å; A239-L312 WeakPolarHBondContact CA-O 3.39Å; V240-L312 HydrophobicContact CB-CB 4.36Å; V240-L312 PolarHBondContact N-O 3.16Å; V240-L312 WeakPolarHBondContact O-CA 3.44Å; V240-L312 WeakPolarHBondContact O-CB 3.46Å; V240-L312 PolarHBondContact O-N 2.99Å; Q242-L312 HydrophobicContact CB-CD1 4.28Å; Y280-L312 HydrophobicContact CD1-CD1 4.11Å; Y280-L312 HydrophobicContact CE1-CD1 3.73Å; K310-L312 HydrophobicContact CB-CD2 4.08Å; K310-L312 HydrophobicContact CB-CG 4.49Å; K310-L312 HydrophobicContact CD-CD2 4.48Å; L312-L318 HydrophobicContact CD1-CB 4.13Å; L312-L318 HydrophobicContact CD1-CD1 4.36Å; L312-L318 HydrophobicContact CD2-CD1 3.86Å
313	E	89.5	Confident	88.9	Confident	111 Å²	111	44.1 Å²	44.1	52%	0.519	23%	0.229	S	C	.	.			trans	-58.8	138.2	163.7	-171.3	-170.3	176.6	0	0	109	C315 S316 R369	E313-C315 HydrophobicContact CG-CB 4.38Å; E313-C315 PolarHBondContact O-N 2.85Å; E313-S316 WeakPolarHBondContact O-CB 3.34Å; E313-S316 PolarHBondContact O-N 3.24Å; E313-R369 IonicContact OE2-NH2 3.06Å; E313-R369 PolarHBondContact OE2-NH2 3.08Å
314	P	86.4	Confident	89	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.052	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.7	178	-22.7	30	0	0	0	112.7	C235 N237 E238 S316 Y323	C235-P314 HydrophobicContact CB-CB 3.63Å; C235-P314 HydrophobicContact CB-CG 4.22Å; N237-P314 WeakPolarHBondContact O-CG 3.35Å; E238-P314 WeakPolarHBondContact O-CD 3.48Å; P314-S316 PolarHBondContact O-N 3.37Å; P314-Y323 WeakPolarHBondContact O-CE2 3.47Å; P314-Y323 PolarHBondContact O-OH 3.43Å
315	C	85.9	Confident	88.8	Confident	24 Å²	24	43.7 Å²	43.7	16%	0.162	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	3.2	178.2	-62.4	0	0	0	0	114.2	E313 R369	E313-C315 HydrophobicContact CG-CB 4.38Å; E313-C315 PolarHBondContact O-N 2.85Å; C315-R369 VanDerWaalsContact O-CD 3.23Å; C315-R369 WeakPolarHBondContact O-CD 3.17Å; C315-R369 PolarHBondContact O-NE 3.36Å
316	S	88.3	Confident	88.8	Confident	20 Å²	20	40.3 Å²	40.3	14%	0.14	21%	0.209	C	C	.	.			trans	-60	143	-178	179.2	0	0	0	0	112.6	E313 P314 L318 C319	E313-S316 WeakPolarHBondContact O-CB 3.34Å; E313-S316 PolarHBondContact O-N 3.24Å; P314-S316 PolarHBondContact O-N 3.37Å; S316-L318 PolarHBondContact O-N 3Å; S316-L318 VanDerWaalsContact O-N 3.14Å; S316-L318 PolarHBondContact OG-N 3.35Å; S316-C319 WeakPolarHBondContact O-CB 3.13Å; S316-C319 PolarHBondContact O-N 3.2Å
317	D	85.8	Confident	88.9	Confident	81 Å²	81	40.3 Å²	40.3	43%	0.433	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	176.6	-61.5	-65.1	0	0	0	112.7	C319 I320 P321 R369	D317-C319 PolarHBondContact O-N 3.35Å; D317-I320 HydrophobicContact CB-CD1 4.25Å; D317-I320 WeakPolarHBondContact OD1-CD1 3.29Å; D317-P321 WeakPolarHBondContact O-CD 3.44Å; D317-R369 WeakPolarHBondContact OD1-CB 3.26Å; D317-R369 VanDerWaalsContact OD1-CD 3.25Å; D317-R369 WeakPolarHBondContact OD1-CD 3.5Å; D317-R369 IonicContact OD2-NH1 2.75Å; D317-R369 PolarHBondContact OD2-NH1 3.38Å
318	L	87.6	Confident	88.9	Confident	84 Å²	84	40 Å²	40	44%	0.44	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.1	173.2	-61.7	179.2	0	0	0	112.7	L312 S316 P321	L312-L318 HydrophobicContact CD1-CB 4.13Å; L312-L318 HydrophobicContact CD1-CD1 4.36Å; L312-L318 HydrophobicContact CD2-CD1 3.86Å; S316-L318 PolarHBondContact O-N 3Å; S316-L318 VanDerWaalsContact O-N 3.14Å; S316-L318 PolarHBondContact OG-N 3.35Å; L318-P321 WeakPolarHBondContact O-CD 3.27Å
319	C	88.6	Confident	88.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-29.6	-179.5	-61	0	0	0	0	113.6	S316 D317 P321 F322 Y323	S316-C319 WeakPolarHBondContact O-CB 3.13Å; S316-C319 PolarHBondContact O-N 3.2Å; D317-C319 PolarHBondContact O-N 3.35Å; C319-P321 VanDerWaalsContact C-N 3.34Å; C319-F322 HydrophobicContact CB-CD1 4.39Å; C319-F322 HydrophobicContact CB-CE1 3.55Å; C319-F322 HydrophobicContact CB-CZ 3.77Å; C319-F322 WeakPolarHBondContact O-CD1 3.04Å; C319-F322 WeakPolarHBondContact O-CE1 3.27Å; C319-F322 WeakPolarHBondContact O-CG 2.95Å; C319-F322 PolarHBondContact O-N 3.48Å; C319-F322 VanDerWaalsContact O-N 3.16Å; C319-Y323 HydrophobicContact CB-CD2 4Å; C319-Y323 HydrophobicContact CB-CE2 3.55Å; C319-Y323 PolarHBondContact O-N 2.94Å
320	I	89.6	Confident	89	Confident	27 Å²	27	39 Å²	39	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-49.5	-44.7	-178.7	-61.2	173	0	0	0	113.8	D317 F322 Y323 N324 I367 R369 L374	D317-I320 HydrophobicContact CB-CD1 4.25Å; D317-I320 WeakPolarHBondContact OD1-CD1 3.29Å; I320-F322 VanDerWaalsContact C-N 3.31Å; I320-F322 PolarHBondContact O-N 2.92Å; I320-Y323 PolarHBondContact O-N 3.38Å; I320-N324 VanDerWaalsContact CG2-ND2 3.34Å; I320-N324 WeakPolarHBondContact CG2-ND2 3.41Å; I320-N324 PolarHBondContact O-N 3.05Å; I320-N324 PolarHBondContact O-ND2 3.06Å; I320-I367 WeakPolarHBondContact CG2-O 3.41Å; I320-R369 HydrophobicContact CD1-CB 3.63Å; I320-L374 HydrophobicContact CG1-CD1 4.36Å
321	P	87.3	Confident	89.2	Confident	39 Å²	39	33.8 Å²	33.8	25%	0.253	17%	0.167	S	C	.	.	H	α-helix	trans	-59	-42.2	-177.3	-24.1	35.1	0	0	0	112.5	L71 D317 L318 C319 V325	L71-P321 HydrophobicContact CD1-CB 3.92Å; L71-P321 HydrophobicContact CD2-CB 3.34Å; L71-P321 HydrophobicContact CG-CB 3.55Å; L71-P321 HydrophobicContact CG-CG 4.5Å; D317-P321 WeakPolarHBondContact O-CD 3.44Å; L318-P321 WeakPolarHBondContact O-CD 3.27Å; C319-P321 VanDerWaalsContact C-N 3.34Å; P321-V325 WeakPolarHBondContact O-CG2 3.41Å; P321-V325 PolarHBondContact O-N 3.35Å
322	F	84.9	Confident	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-83.2	-30.4	179.5	79.1	-104.4	0	0	0	112.7	M74 V240 A273 Y280 C319 I320 N324 V325 V326 W552	M74-F322 HydrophobicContact SD-CB 4.13Å; V240-F322 HydrophobicContact CG1-CE1 4.44Å; V240-F322 HydrophobicContact CG1-CZ 4.1Å; A273-F322 HydrophobicContact CB-CB 4.18Å; A273-F322 HydrophobicContact CB-CD2 4.21Å; A273-F322 HydrophobicContact CB-CG 4.18Å; Y280-F322 HydrophobicContact CD1-CE1 4.37Å; Y280-F322 HydrophobicContact CD2-CD1 4.44Å; Y280-F322 HydrophobicContact CG-CD1 4.45Å; Y280-F322 HydrophobicContact CG-CE1 4.22Å; C319-F322 HydrophobicContact CB-CD1 4.39Å; C319-F322 HydrophobicContact CB-CE1 3.55Å; C319-F322 HydrophobicContact CB-CZ 3.77Å; C319-F322 WeakPolarHBondContact O-CD1 3.04Å; C319-F322 WeakPolarHBondContact O-CE1 3.27Å; C319-F322 WeakPolarHBondContact O-CG 2.95Å; C319-F322 PolarHBondContact O-N 3.48Å; C319-F322 VanDerWaalsContact O-N 3.16Å; I320-F322 VanDerWaalsContact C-N 3.31Å; I320-F322 PolarHBondContact O-N 2.92Å; F322-N324 PolarHBondContact O-N 2.75Å; F322-V325 WeakPolarHBondContact O-CA 3.5Å; F322-V325 WeakPolarHBondContact O-CB 3.32Å; F322-V325 PolarHBondContact O-N 3.2Å; F322-V326 WeakPolarHBondContact O-CG2 3.46Å; F322-V326 PolarHBondContact O-N 2.84Å; F322-W552 HydrophobicContact CD2-CE3 4.44Å; F322-W552 HydrophobicContact CD2-CH2 4.14Å; F322-W552 HydrophobicContact CD2-CZ2 4.29Å; F322-W552 HydrophobicContact CD2-CZ3 4.22Å; F322-W552 AromaticContact CE2-CD2 3.94Å; F322-W552 HydrophobicContact CE2-CD2 3.94Å; F322-W552 AromaticContact CE2-CE3 3.48Å; F322-W552 HydrophobicContact CE2-CE3 3.48Å; F322-W552 VanDerWaalsContact CE2-CE3 3.48Å; F322-W552 AromaticContact CE2-CH2 3.73Å; F322-W552 HydrophobicContact CE2-CH2 3.73Å; F322-W552 HydrophobicContact CE2-CZ2 4.17Å; F322-W552 AromaticContact CE2-CZ3 3.36Å; F322-W552 HydrophobicContact CE2-CZ3 3.36Å; F322-W552 HydrophobicContact CZ-CE3 4.06Å; F322-W552 HydrophobicContact CZ-CH2 4.31Å; F322-W552 AromaticContact CZ-CZ3 3.73Å; F322-W552 HydrophobicContact CZ-CZ3 3.73Å
323	Y	91.1	Very high	89.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-38.2	169.8	-69.3	-25.3	0	0	0	112.2	P314 C319 I320 V325 V326 F327 L374 W552 L554	P314-Y323 WeakPolarHBondContact O-CE2 3.47Å; P314-Y323 PolarHBondContact O-OH 3.43Å; C319-Y323 HydrophobicContact CB-CD2 4Å; C319-Y323 HydrophobicContact CB-CE2 3.55Å; C319-Y323 PolarHBondContact O-N 2.94Å; I320-Y323 PolarHBondContact O-N 3.38Å; Y323-V325 VanDerWaalsContact C-N 3.25Å; Y323-V325 PolarHBondContact O-N 3.41Å; Y323-V326 WeakPolarHBondContact O-CB 3.24Å; Y323-V326 PolarHBondContact O-N 2.76Å; Y323-F327 PolarHBondContact O-N 2.87Å; Y323-L374 HydrophobicContact CD2-CD2 4Å; Y323-L374 HydrophobicContact CE2-CD2 3.91Å; Y323-W552 HydrophobicContact CE1-CB 4.41Å; Y323-W552 HydrophobicContact CE1-CE3 4.34Å; Y323-L554 HydrophobicContact CD1-CD1 3.67Å; Y323-L554 HydrophobicContact CD1-CD2 4.49Å; Y323-L554 HydrophobicContact CE1-CD1 3.92Å; Y323-L554 HydrophobicContact CE1-CD2 4.01Å; Y323-L554 HydrophobicContact CE1-CG 4.26Å; Y323-L554 HydrophobicContact CE2-CD2 4.12Å; Y323-L554 HydrophobicContact CG-CD1 4.03Å
324	N	91.3	Very high	89.4	Confident	29 Å²	29	35 Å²	35	16%	0.155	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-35.9	171	-82.4	-69.7	0	0	0	112	I320 F322 F327 R328 S366 I367	I320-N324 VanDerWaalsContact CG2-ND2 3.34Å; I320-N324 WeakPolarHBondContact CG2-ND2 3.41Å; I320-N324 PolarHBondContact O-N 3.05Å; I320-N324 PolarHBondContact O-ND2 3.06Å; F322-N324 PolarHBondContact O-N 2.75Å; N324-F327 PolarHBondContact O-N 2.74Å; N324-R328 WeakPolarHBondContact O-CG 3.16Å; N324-R328 PolarHBondContact O-N 3.48Å; N324-S366 WeakPolarHBondContact OD1-CA 3.33Å; N324-I367 PolarHBondContact ND2-O 3.42Å; N324-I367 PolarHBondContact OD1-N 2.98Å
325	V	86.5	Confident	89.7	Confident	1 Å²	1	39 Å²	39	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-49.6	174.1	-175.4	0	0	0	0	110.8	F75 L78 I80 P321 F322 Y323 F327 R328 R329	F75-V325 HydrophobicContact CD1-CB 4.21Å; F75-V325 HydrophobicContact CD1-CG1 3.52Å; F75-V325 HydrophobicContact CD1-CG2 3.78Å; F75-V325 HydrophobicContact CE1-CB 3.91Å; F75-V325 HydrophobicContact CE1-CG1 3.7Å; F75-V325 HydrophobicContact CE1-CG2 3.33Å; F75-V325 HydrophobicContact CE2-CG2 4.15Å; F75-V325 HydrophobicContact CG-CG1 4.38Å; F75-V325 HydrophobicContact CG-CG2 4.36Å; F75-V325 HydrophobicContact CZ-CG2 3.51Å; L78-V325 HydrophobicContact CB-CG1 4.35Å; L78-V325 HydrophobicContact CD1-CB 4Å; L78-V325 HydrophobicContact CD1-CG1 3.53Å; I80-V325 HydrophobicContact CD1-CG1 3.59Å; P321-V325 WeakPolarHBondContact O-CG2 3.41Å; P321-V325 PolarHBondContact O-N 3.35Å; F322-V325 WeakPolarHBondContact O-CA 3.5Å; F322-V325 WeakPolarHBondContact O-CB 3.32Å; F322-V325 PolarHBondContact O-N 3.2Å; Y323-V325 VanDerWaalsContact C-N 3.25Å; Y323-V325 PolarHBondContact O-N 3.41Å; V325-F327 VanDerWaalsContact C-N 3.28Å; V325-F327 PolarHBondContact O-N 3.25Å; V325-R328 WeakPolarHBondContact O-CB 3.38Å; V325-R328 PolarHBondContact O-N 2.98Å; V325-R329 PolarHBondContact O-N 3.29Å
326	V	89.3	Confident	90	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-54.7	-47.5	176.7	175.1	0	0	0	0	109.7	F322 Y323 R328 R329 V330 E548 L549 W552	F322-V326 WeakPolarHBondContact O-CG2 3.46Å; F322-V326 PolarHBondContact O-N 2.84Å; Y323-V326 WeakPolarHBondContact O-CB 3.24Å; Y323-V326 PolarHBondContact O-N 2.76Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.05Å; V326-R329 WeakPolarHBondContact O-CB 3.27Å; V326-R329 PolarHBondContact O-N 3.42Å; V326-V330 PolarHBondContact O-N 3.01Å; V326-E548 HydrophobicContact CG1-CG 4.16Å; V326-L549 HydrophobicContact CG1-CD2 4.19Å; V326-W552 HydrophobicContact CG2-CG 4.27Å
327	F	92	Very high	89.9	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-35	177.7	-164	-94.5	0	0	0	113	Y323 N324 V325 R329 V330 M331 A365 I367 L376 I539 L556	Y323-F327 PolarHBondContact O-N 2.87Å; N324-F327 PolarHBondContact O-N 2.74Å; V325-F327 VanDerWaalsContact C-N 3.28Å; V325-F327 PolarHBondContact O-N 3.25Å; F327-R329 PolarHBondContact O-N 3Å; F327-V330 WeakPolarHBondContact O-CB 3.31Å; F327-V330 PolarHBondContact O-N 3.32Å; F327-M331 HydrophobicContact CD1-CG 3.96Å; F327-M331 HydrophobicContact CE1-CG 3.61Å; F327-M331 HydrophobicContact CE1-SD 3.69Å; F327-M331 HydrophobicContact CZ-CG 4.32Å; F327-M331 HydrophobicContact CZ-SD 3.9Å; F327-M331 WeakPolarHBondContact O-CG 3.25Å; F327-M331 PolarHBondContact O-N 3.42Å; F327-A365 HydrophobicContact CD1-CB 4.03Å; F327-A365 HydrophobicContact CE1-CB 3.4Å; F327-A365 VanDerWaalsContact CE1-CB 3.4Å; F327-A365 HydrophobicContact CZ-CB 4.25Å; F327-I367 HydrophobicContact CB-CD1 4.07Å; F327-L376 HydrophobicContact CD1-CD1 4.13Å; F327-L376 HydrophobicContact CD2-CD1 4.02Å; F327-L376 HydrophobicContact CD2-CD2 4.27Å; F327-L376 HydrophobicContact CE1-CD1 3.96Å; F327-L376 HydrophobicContact CE1-CD2 4.47Å; F327-L376 HydrophobicContact CE2-CD1 3.84Å; F327-L376 HydrophobicContact CE2-CD2 3.41Å; F327-L376 VanDerWaalsContact CE2-CD2 3.41Å; F327-L376 HydrophobicContact CE2-CG 4.28Å; F327-L376 HydrophobicContact CG-CD1 4.17Å; F327-L376 HydrophobicContact CZ-CD1 3.81Å; F327-L376 HydrophobicContact CZ-CD2 3.54Å; F327-L376 HydrophobicContact CZ-CG 4.3Å; F327-I539 HydrophobicContact CE2-CD1 4.2Å; F327-I539 HydrophobicContact CZ-CD1 4.27Å; F327-L556 HydrophobicContact CE2-CD1 4.38Å
328	R	90.8	Very high	89.9	Confident	95 Å²	95	39.9 Å²	39.9	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-35.5	173.1	-48.7	-149.2	-178.8	138.5	1.4	111.9	N324 V325 V326 M331 K332 F343	N324-R328 WeakPolarHBondContact O-CG 3.16Å; N324-R328 PolarHBondContact O-N 3.48Å; V325-R328 WeakPolarHBondContact O-CB 3.38Å; V325-R328 PolarHBondContact O-N 2.98Å; V326-R328 VanDerWaalsContact C-N 3.34Å; V326-R328 PolarHBondContact O-N 3.05Å; R328-M331 PolarHBondContact O-N 2.96Å; R328-K332 PolarHBondContact O-N 3.3Å; R328-F343 HydrophobicContact CB-CE1 4.14Å; R328-F343 HydrophobicContact CB-CZ 3.96Å; R328-F343 HydrophobicContact CG-CE1 4.46Å; R328-F343 HydrophobicContact CG-CZ 3.86Å
329	R	88	Confident	89.7	Confident	89 Å²	89	36.2 Å²	36.2	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-69.1	-42	176.5	-174.4	174.2	175.4	-175.8	10.7	111.6	V325 V326 F327 M331 K332 L333 E548	V325-R329 PolarHBondContact O-N 3.29Å; V326-R329 WeakPolarHBondContact O-CB 3.27Å; V326-R329 PolarHBondContact O-N 3.42Å; F327-R329 PolarHBondContact O-N 3Å; R329-M331 VanDerWaalsContact C-N 3.29Å; R329-M331 PolarHBondContact O-N 3.47Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 3.38Å; R329-K332 VanDerWaalsContact O-N 3.1Å; R329-L333 HydrophobicContact CG-CD1 4.46Å; R329-L333 WeakPolarHBondContact O-CG 3.45Å; R329-L333 PolarHBondContact O-N 3.14Å; R329-E548 VanDerWaalsContact CD-OE1 3.27Å; R329-E548 WeakPolarHBondContact CD-OE1 3.47Å; R329-E548 HydrophobicContact CG-CG 4.31Å; R329-E548 IonicContact CZ-OE1 3.22Å; R329-E548 IonicContact CZ-OE2 3.88Å; R329-E548 IonicContact NE-OE1 3.09Å; R329-E548 IonicContact NE-OE2 3.46Å; R329-E548 VanDerWaalsContact NH1-CD 3.29Å; R329-E548 IonicContact NH1-OE1 2.64Å; R329-E548 PolarHBondContact NH1-OE1 3.15Å; R329-E548 IonicContact NH1-OE2 3.22Å; R329-E548 PolarHBondContact NH1-OE2 3.08Å; R329-E548 IonicContact NH2-OE2 3.65Å
330	V	93.8	Very high	89.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-52.2	-50	170.7	172.4	0	0	0	0	110	V326 F327 K332 L333 L334 I539 A545 E548 L549	V326-V330 PolarHBondContact O-N 3.01Å; F327-V330 WeakPolarHBondContact O-CB 3.31Å; F327-V330 PolarHBondContact O-N 3.32Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 3.06Å; V330-L333 WeakPolarHBondContact O-CB 3.48Å; V330-L333 PolarHBondContact O-N 3.47Å; V330-L333 VanDerWaalsContact O-N 3.13Å; V330-L334 WeakPolarHBondContact O-CG 3.47Å; V330-L334 PolarHBondContact O-N 2.96Å; V330-L334 VanDerWaalsContact O-N 3.16Å; V330-I539 HydrophobicContact CG1-CD1 4.37Å; V330-I539 HydrophobicContact CG1-CG1 4.11Å; V330-I539 HydrophobicContact CG1-CG2 4.24Å; V330-A545 HydrophobicContact CG1-CB 4.1Å; V330-E548 HydrophobicContact CG2-CB 4.27Å; V330-E548 HydrophobicContact CG2-CG 4.42Å; V330-L549 HydrophobicContact CG2-CD1 4.23Å; V330-L549 HydrophobicContact CG2-CD2 3.98Å; V330-L549 HydrophobicContact CG2-CG 3.75Å
331	M	94.3	Very high	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-37.3	178.2	-63.2	-57.7	-75.5	0	0	112.8	F327 R328 R329 L334 M336 F343 Y363 L535	F327-M331 HydrophobicContact CD1-CG 3.96Å; F327-M331 HydrophobicContact CE1-CG 3.61Å; F327-M331 HydrophobicContact CE1-SD 3.69Å; F327-M331 HydrophobicContact CZ-CG 4.32Å; F327-M331 HydrophobicContact CZ-SD 3.9Å; F327-M331 WeakPolarHBondContact O-CG 3.25Å; F327-M331 PolarHBondContact O-N 3.42Å; R328-M331 PolarHBondContact O-N 2.96Å; R329-M331 VanDerWaalsContact C-N 3.29Å; R329-M331 PolarHBondContact O-N 3.47Å; M331-L334 PolarHBondContact O-N 3.1Å; M331-L334 HydrophobicContact SD-CD1 4.39Å; M331-M336 HydrophobicContact CB-CB 4.35Å; M331-M336 HydrophobicContact CE-CB 4.29Å; M331-M336 HydrophobicContact CE-CE 4.08Å; M331-M336 HydrophobicContact CE-CG 3.89Å; M331-M336 VanDerWaalsContact O-CB 3.28Å; M331-M336 WeakPolarHBondContact O-CB 3.36Å; M331-M336 PolarHBondContact O-N 2.9Å; M331-F343 HydrophobicContact CB-CB 4.43Å; M331-F343 HydrophobicContact CB-CD1 3.45Å; M331-F343 VanDerWaalsContact CB-CD1 3.45Å; M331-F343 HydrophobicContact CB-CD2 4.32Å; M331-F343 HydrophobicContact CB-CE1 3.64Å; M331-F343 HydrophobicContact CB-CE2 4.48Å; M331-F343 HydrophobicContact CB-CG 3.81Å; M331-F343 HydrophobicContact CB-CZ 4.17Å; M331-F343 HydrophobicContact CE-CB 3.54Å; M331-F343 HydrophobicContact CE-CD2 4.04Å; M331-F343 HydrophobicContact CE-CG 3.84Å; M331-F343 HydrophobicContact CG-CD1 3.93Å; M331-F343 HydrophobicContact CG-CD2 3.86Å; M331-F343 HydrophobicContact CG-CE1 4.03Å; M331-F343 HydrophobicContact CG-CE2 3.98Å; M331-F343 HydrophobicContact CG-CG 3.84Å; M331-F343 HydrophobicContact CG-CZ 4.06Å; M331-Y363 HydrophobicContact CE-CD2 4.22Å; M331-L535 HydrophobicContact CE-CD1 4.04Å; M331-L535 HydrophobicContact SD-CD1 4.09Å
332	K	90.6	Very high	89.2	Confident	153 Å²	153	48.5 Å²	48.5	67%	0.665	23%	0.231	S	C	*	.	H	α-helix	trans	-64.7	-38.1	174.1	-172.7	-178.2	178.5	-176.1	0	112.2	R328 R329 V330 L334 D335	R328-K332 PolarHBondContact O-N 3.3Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 3.38Å; R329-K332 VanDerWaalsContact O-N 3.1Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 3.06Å; K332-L334 PolarHBondContact O-N 3.05Å; K332-D335 WeakPolarHBondContact O-CA 3.25Å; K332-D335 PolarHBondContact O-N 3.37Å
333	L	93.1	Very high	89.5	Confident	68 Å²	68	48.9 Å²	48.9	36%	0.356	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-23.5	175.8	-69.3	169.8	0	0	0	112.5	R329 V330 D335 N542 A544 A545 E548	R329-L333 HydrophobicContact CG-CD1 4.46Å; R329-L333 WeakPolarHBondContact O-CG 3.45Å; R329-L333 PolarHBondContact O-N 3.14Å; V330-L333 WeakPolarHBondContact O-CB 3.48Å; V330-L333 PolarHBondContact O-N 3.47Å; V330-L333 VanDerWaalsContact O-N 3.13Å; L333-D335 PolarHBondContact O-N 3.1Å; L333-N542 PolarHBondContact O-ND2 3.23Å; L333-N542 VanDerWaalsContact O-ND2 3.17Å; L333-A544 HydrophobicContact CD1-CB 4.24Å; L333-A544 HydrophobicContact CD2-CB 4.41Å; L333-A545 HydrophobicContact CB-CB 4.29Å; L333-A545 HydrophobicContact CD1-CB 4.43Å; L333-E548 HydrophobicContact CD1-CB 4.4Å
334	L	92.9	Very high	89.6	Confident	14 Å²	14	49.3 Å²	49.3	7%	0.073	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	10.2	170.9	-60.9	-179.7	0	0	0	113.7	V330 M331 K332 M336 L535 R538 I539 N542 A545	V330-L334 WeakPolarHBondContact O-CG 3.47Å; V330-L334 PolarHBondContact O-N 2.96Å; V330-L334 VanDerWaalsContact O-N 3.16Å; M331-L334 PolarHBondContact O-N 3.1Å; M331-L334 HydrophobicContact SD-CD1 4.39Å; K332-L334 PolarHBondContact O-N 3.05Å; L334-M336 HydrophobicContact CB-CG 4.01Å; L334-M336 PolarHBondContact O-N 3.49Å; L334-L535 HydrophobicContact CD1-CD1 4.27Å; L334-R538 HydrophobicContact CD1-CB 4.38Å; L334-R538 HydrophobicContact CD2-CB 4.37Å; L334-R538 WeakPolarHBondContact CD2-O 3.46Å; L334-R538 PolarHBondContact O-NH2 3.09Å; L334-I539 HydrophobicContact CD1-CG1 3.65Å; L334-N542 HydrophobicContact CD2-CB 3.77Å; L334-A545 HydrophobicContact CD2-CB 4.38Å
335	D	91.4	Very high	89.7	Confident	90 Å²	90	48.4 Å²	48.4	48%	0.481	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	22.6	-174.4	-157.6	31.2	0	0	0	115.5	K332 L333 K337	K332-D335 WeakPolarHBondContact O-CA 3.25Å; K332-D335 PolarHBondContact O-N 3.37Å; L333-D335 PolarHBondContact O-N 3.1Å; D335-K337 IonicContact OD1-NZ 2.82Å; D335-K337 PolarHBondContact OD1-NZ 3.06Å; D335-K337 IonicContact OD2-NZ 3.94Å
336	M	91.9	Very high	89.7	Confident	9 Å²	9	49.9 Å²	49.9	4%	0.044	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-75.9	135.6	175.6	-55.5	-76.4	-62.3	0	0	110.3	M331 L334 F343 D345 Y363	M331-M336 HydrophobicContact CB-CB 4.35Å; M331-M336 HydrophobicContact CE-CB 4.29Å; M331-M336 HydrophobicContact CE-CE 4.08Å; M331-M336 HydrophobicContact CE-CG 3.89Å; M331-M336 VanDerWaalsContact O-CB 3.28Å; M331-M336 WeakPolarHBondContact O-CB 3.36Å; M331-M336 PolarHBondContact O-N 2.9Å; L334-M336 HydrophobicContact CB-CG 4.01Å; L334-M336 PolarHBondContact O-N 3.49Å; M336-F343 HydrophobicContact CB-CB 4.03Å; M336-F343 HydrophobicContact CE-CB 4.19Å; M336-D345 HydrophobicContact CE-CB 4.21Å; M336-D345 HydrophobicContact SD-CB 3.85Å; M336-Y363 HydrophobicContact CE-CD2 3.77Å; M336-Y363 HydrophobicContact CE-CE2 4.12Å
337	K	88.1	Confident	89.7	Confident	67 Å²	67	55.1 Å²	55.1	29%	0.291	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.9	179.4	-52.1	-52.5	-179.2	-164.7	0	111	D335 V339 F343 Y344 P346 N424	D335-K337 IonicContact OD1-NZ 2.82Å; D335-K337 PolarHBondContact OD1-NZ 3.06Å; D335-K337 IonicContact OD2-NZ 3.94Å; K337-V339 PolarHBondContact O-N 2.97Å; K337-F343 CarbonylContact O-C 3.48Å; K337-F343 WeakPolarHBondContact O-CA 3.2Å; K337-Y344 PolarHBondContact N-O 3.4Å; K337-Y344 PolarHBondContact O-N 2.9Å; K337-P346 HydrophobicContact CB-CG 4.27Å; K337-P346 HydrophobicContact CG-CG 3.68Å; K337-N424 HydrophobicContact CB-CB 4.33Å
338	L	85.4	Confident	89.5	Confident	69 Å²	69	58.1 Å²	58.1	36%	0.361	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.4	176.6	179	67.7	0	0	0	110	N342 F343	L338-N342 WeakPolarHBondContact CA-O 3.32Å; L338-F343 HydrophobicContact CB-CD1 4.34Å; L338-F343 HydrophobicContact CB-CE1 4.36Å; L338-F343 HydrophobicContact CD1-CD1 4.07Å; L338-F343 HydrophobicContact CD1-CE1 3.77Å; L338-F343 HydrophobicContact CD1-CZ 4.09Å
339	V	83.6	Confident	89.3	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.3	173.2	-175.1	0	0	0	0	108.7	K337 R341 N342 Y344 K383 I419 T426	K337-V339 PolarHBondContact O-N 2.97Å; V339-R341 PolarHBondContact O-N 3.37Å; V339-R341 VanDerWaalsContact O-N 3.14Å; V339-N342 PolarHBondContact N-O 3.24Å; V339-N342 PolarHBondContact O-N 3.3Å; V339-Y344 HydrophobicContact CB-CD2 3.65Å; V339-Y344 HydrophobicContact CB-CE2 3.84Å; V339-Y344 HydrophobicContact CG2-CD2 3.86Å; V339-K383 HydrophobicContact CG1-CD 4.48Å; V339-I419 HydrophobicContact CG1-CD1 4.37Å; V339-I419 HydrophobicContact CG2-CD1 4.38Å; V339-T426 HydrophobicContact CG1-CG2 3.57Å
340	G	80.6	Confident	89.4	Confident	58 Å²	58	53.8 Å²	53.8	60%	0.598	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-106.9	-171.4	0	0	0	0	0	111.4
341	R	81.5	Confident	89	Confident	223 Å²	223	56.7 Å²	56.7	84%	0.842	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-3.6	179	-64.1	-177.5	-179	174	0.3	113.7	V339	V339-R341 PolarHBondContact O-N 3.37Å; V339-R341 VanDerWaalsContact O-N 3.14Å
342	N	91.1	Very high	88.6	Confident	43 Å²	43	58.1 Å²	58.1	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.8	-170.6	-58.2	-18.3	0	0	0	110.4	L338 V339 Y344 A364	L338-N342 WeakPolarHBondContact CA-O 3.32Å; V339-N342 PolarHBondContact N-O 3.24Å; V339-N342 PolarHBondContact O-N 3.3Å; N342-Y344 HydrophobicContact CB-CD2 4.43Å; N342-Y344 HydrophobicContact CB-CE2 3.52Å; N342-Y344 WeakPolarHBondContact CB-OH 3.4Å; N342-Y344 PolarHBondContact ND2-OH 2.84Å; N342-Y344 VanDerWaalsContact ND2-OH 3.08Å; N342-A364 HydrophobicContact CB-CB 4.47Å; N342-A364 VanDerWaalsContact OD1-CB 3.29Å; N342-A364 WeakPolarHBondContact OD1-CB 3.22Å
343	F	92.8	Very high	88.1	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.9	-176.4	-56.3	-84.7	0	0	0	109.6	R328 M331 M336 K337 L338 G362 Y363 A365	R328-F343 HydrophobicContact CB-CE1 4.14Å; R328-F343 HydrophobicContact CB-CZ 3.96Å; R328-F343 HydrophobicContact CG-CE1 4.46Å; R328-F343 HydrophobicContact CG-CZ 3.86Å; M331-F343 HydrophobicContact CB-CB 4.43Å; M331-F343 HydrophobicContact CB-CD1 3.45Å; M331-F343 VanDerWaalsContact CB-CD1 3.45Å; M331-F343 HydrophobicContact CB-CD2 4.32Å; M331-F343 HydrophobicContact CB-CE1 3.64Å; M331-F343 HydrophobicContact CB-CE2 4.48Å; M331-F343 HydrophobicContact CB-CG 3.81Å; M331-F343 HydrophobicContact CB-CZ 4.17Å; M331-F343 HydrophobicContact CE-CB 3.54Å; M331-F343 HydrophobicContact CE-CD2 4.04Å; M331-F343 HydrophobicContact CE-CG 3.84Å; M331-F343 HydrophobicContact CG-CD1 3.93Å; M331-F343 HydrophobicContact CG-CD2 3.86Å; M331-F343 HydrophobicContact CG-CE1 4.03Å; M331-F343 HydrophobicContact CG-CE2 3.98Å; M331-F343 HydrophobicContact CG-CG 3.84Å; M331-F343 HydrophobicContact CG-CZ 4.06Å; M336-F343 HydrophobicContact CB-CB 4.03Å; M336-F343 HydrophobicContact CE-CB 4.19Å; K337-F343 CarbonylContact O-C 3.48Å; K337-F343 WeakPolarHBondContact O-CA 3.2Å; L338-F343 HydrophobicContact CB-CD1 4.34Å; L338-F343 HydrophobicContact CB-CE1 4.36Å; L338-F343 HydrophobicContact CD1-CD1 4.07Å; L338-F343 HydrophobicContact CD1-CE1 3.77Å; L338-F343 HydrophobicContact CD1-CZ 4.09Å; F343-G362 CarbonylContact O-C 3.48Å; F343-G362 WeakPolarHBondContact O-CA 3.34Å; F343-Y363 PolarHBondContact N-O 3.36Å; F343-Y363 PolarHBondContact O-N 3.25Å; F343-A365 HydrophobicContact CE2-CB 4.47Å
344	Y	92.8	Very high	87.5	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.035	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.1	-177.6	-60.5	-81.4	0	0	0	111.1	K337 V339 N342 P346 W360 P361 S381 K383	K337-Y344 PolarHBondContact N-O 3.4Å; K337-Y344 PolarHBondContact O-N 2.9Å; V339-Y344 HydrophobicContact CB-CD2 3.65Å; V339-Y344 HydrophobicContact CB-CE2 3.84Å; V339-Y344 HydrophobicContact CG2-CD2 3.86Å; N342-Y344 HydrophobicContact CB-CD2 4.43Å; N342-Y344 HydrophobicContact CB-CE2 3.52Å; N342-Y344 WeakPolarHBondContact CB-OH 3.4Å; N342-Y344 PolarHBondContact ND2-OH 2.84Å; N342-Y344 VanDerWaalsContact ND2-OH 3.08Å; Y344-P346 WeakPolarHBondContact O-CD 3.44Å; Y344-W360 WeakPolarHBondContact CD1-O 3.43Å; Y344-P361 WeakPolarHBondContact CA-O 3.43Å; Y344-S381 WeakPolarHBondContact CE1-O 3.46Å; Y344-S381 PolarHBondContact OH-OG 3.38Å; Y344-K383 HydrophobicContact CD1-CB 3.77Å; Y344-K383 HydrophobicContact CD2-CB 4.33Å; Y344-K383 HydrophobicContact CE1-CB 3.63Å; Y344-K383 HydrophobicContact CE2-CB 4.16Å; Y344-K383 HydrophobicContact CE2-CD 4.45Å; Y344-K383 HydrophobicContact CG-CB 4.12Å
345	D	92	Very high	86.8	Confident	10 Å²	10	64 Å²	64	5%	0.053	34%	0.338	C	S	.	.			trans	-111.1	97.3	177.6	-166.1	-23.9	0	0	0	109.5	M336 T347 S348 P361 R538	M336-D345 HydrophobicContact CE-CB 4.21Å; M336-D345 HydrophobicContact SD-CB 3.85Å; D345-T347 PolarHBondContact O-N 3.11Å; D345-T347 WeakPolarHBondContact OD1-CB 3.27Å; D345-T347 PolarHBondContact OD1-N 2.95Å; D345-T347 VanDerWaalsContact OD1-N 3.11Å; D345-T347 PolarHBondContact OD1-OG1 3.25Å; D345-S348 PolarHBondContact O-N 3.36Å; D345-S348 PolarHBondContact OD1-N 3.08Å; D345-P361 PolarHBondContact N-O 2.91Å; D345-R538 IonicContact OD2-CZ 2.9Å; D345-R538 IonicContact OD2-NH1 3.06Å; D345-R538 PolarHBondContact OD2-NH1 3.19Å; D345-R538 IonicContact OD2-NH2 2.99Å; D345-R538 PolarHBondContact OD2-NH2 3.29Å
346	P	87.4	Confident	86.4	Confident	32 Å²	32	67.2 Å²	67.2	21%	0.208	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-66.5	-22.7	178.8	-19.2	32	0	0	0	113.3	K337 Y344 S348 A349 W360	K337-P346 HydrophobicContact CB-CG 4.27Å; K337-P346 HydrophobicContact CG-CG 3.68Å; Y344-P346 WeakPolarHBondContact O-CD 3.44Å; P346-S348 VanDerWaalsContact C-N 3.3Å; P346-A349 VanDerWaalsContact O-CB 3.27Å; P346-A349 WeakPolarHBondContact O-CB 3.49Å; P346-A349 PolarHBondContact O-N 3.36Å; P346-W360 HydrophobicContact CB-CD2 4.03Å; P346-W360 HydrophobicContact CB-CE3 4.14Å; P346-W360 HydrophobicContact CB-CH2 4.01Å; P346-W360 HydrophobicContact CB-CZ2 3.88Å; P346-W360 HydrophobicContact CB-CZ3 4.14Å; P346-W360 HydrophobicContact CG-CD2 4.21Å; P346-W360 HydrophobicContact CG-CE3 3.82Å; P346-W360 HydrophobicContact CG-CH2 4Å; P346-W360 HydrophobicContact CG-CZ2 4.37Å; P346-W360 HydrophobicContact CG-CZ3 3.72Å
347	T	88.4	Confident	86.1	Confident	113 Å²	113	66.9 Å²	66.9	69%	0.693	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-72.3	-29	-178	71.4	0	0	0	0	111.8	D345 A349	D345-T347 PolarHBondContact O-N 3.11Å; D345-T347 WeakPolarHBondContact OD1-CB 3.27Å; D345-T347 PolarHBondContact OD1-N 2.95Å; D345-T347 VanDerWaalsContact OD1-N 3.11Å; D345-T347 PolarHBondContact OD1-OG1 3.25Å; T347-A349 VanDerWaalsContact C-N 3.32Å
348	S	88.4	Confident	86.1	Confident	64 Å²	64	65.4 Å²	65.4	45%	0.448	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-95.7	25	177.1	-59.6	0	0	0	0	112.6	D345 P346 M350 P361	D345-S348 PolarHBondContact O-N 3.36Å; D345-S348 PolarHBondContact OD1-N 3.08Å; P346-S348 VanDerWaalsContact C-N 3.3Å; S348-M350 PolarHBondContact O-N 2.94Å; S348-P361 VanDerWaalsContact O-CD 3.29Å; S348-P361 WeakPolarHBondContact O-CD 3.4Å; S348-P361 WeakPolarHBondContact O-CG 3.35Å
349	A	88	Confident	86.3	Confident	28 Å²	28	62.1 Å²	62.1	23%	0.231	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-64.5	127.6	-177.2	0	0	0	0	0	112.3	P346 T347 I359 W360	P346-A349 VanDerWaalsContact O-CB 3.27Å; P346-A349 WeakPolarHBondContact O-CB 3.49Å; P346-A349 PolarHBondContact O-N 3.36Å; T347-A349 VanDerWaalsContact C-N 3.32Å; A349-I359 WeakPolarHBondContact CA-O 3.03Å; A349-W360 HydrophobicContact CB-CG 4.45Å
350	M	88.2	Confident	86.7	Confident	66 Å²	66	62.2 Å²	62.2	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.2	172.6	-60.9	-179.7	-70.8	0	0	109.8	S348 Q358 I359	S348-M350 PolarHBondContact O-N 2.94Å; M350-Q358 CarbonylContact O-C 3.47Å; M350-Q358 WeakPolarHBondContact O-CA 3.21Å; M350-I359 HydrophobicContact CB-CB 4.38Å; M350-I359 HydrophobicContact CE-CB 4.2Å; M350-I359 HydrophobicContact CE-CG2 3.97Å; M350-I359 PolarHBondContact N-O 2.99Å; M350-I359 PolarHBondContact O-N 2.9Å
351	V	87	Confident	87.3	Confident	60 Å²	60	61.1 Å²	61.1	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.5	-177.9	-166.1	0	0	0	0	111	Q353 Q358	V351-Q353 HydrophobicContact CG1-CG 4.17Å; V351-Q353 VanDerWaalsContact CG1-NE2 3.34Å; V351-Q353 PolarHBondContact O-N 3.13Å; V351-Q358 HydrophobicContact CG1-CG 4.23Å; V351-Q358 HydrophobicContact CG2-CG 4.17Å
352	L	84.7	Confident	87.9	Confident	30 Å²	30	50.5 Å²	50.5	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	83.7	169.7	-66.4	178.2	0	0	0	109	Q354 H355 R356 L357 I359 L517 Q520	L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 3.15Å; L352-H355 CarbonylContact O-C 3.5Å; L352-H355 PolarHBondContact O-N 3.03Å; L352-R356 PolarHBondContact O-N 2.98Å; L352-L357 HydrophobicContact CB-CB 4.31Å; L352-L357 PolarHBondContact N-O 3.37Å; L352-L357 PolarHBondContact O-N 3.13Å; L352-I359 HydrophobicContact CD1-CD1 3.77Å; L352-I359 HydrophobicContact CD1-CG1 4.48Å; L352-I359 HydrophobicContact CG-CD1 4.2Å; L352-L517 HydrophobicContact CD1-CD1 3.94Å; L352-Q520 HydrophobicContact CD2-CG 4.39Å
353	Q	80.3	Confident	88.1	Confident	140 Å²	140	49.5 Å²	49.5	65%	0.654	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-56.3	-41.3	-174.7	-65.4	-65.6	-2.9	0	0	112.9	V351 H355 R356	V351-Q353 HydrophobicContact CG1-CG 4.17Å; V351-Q353 VanDerWaalsContact CG1-NE2 3.34Å; V351-Q353 PolarHBondContact O-N 3.13Å; Q353-H355 PolarHBondContact O-N 3.3Å; Q353-H355 VanDerWaalsContact O-N 3.11Å; Q353-R356 PolarHBondContact O-N 3.17Å
354	Q	80.6	Confident	88.1	Confident	169 Å²	169	49.9 Å²	49.9	79%	0.79	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-57.8	-28.3	179.6	-63.4	179.3	-1.5	0	0	113.2	L352	L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 3.15Å
355	H	79.1	Confident	88.1	Confident	49 Å²	49	50.1 Å²	50.1	23%	0.227	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-113.9	3.6	-175.1	-57.7	-58.9	0	0	0	113	L352 Q353 L357 M507 A513 D516	L352-H355 CarbonylContact O-C 3.5Å; L352-H355 PolarHBondContact O-N 3.03Å; Q353-H355 PolarHBondContact O-N 3.3Å; Q353-H355 VanDerWaalsContact O-N 3.11Å; H355-L357 HydrophobicContact CB-CD1 4.38Å; H355-L357 HydrophobicContact CB-CG 4.25Å; H355-L357 PolarHBondContact O-N 2.71Å; H355-M507 HydrophobicContact CB-CE 4.16Å; H355-A513 WeakPolarHBondContact CE1-CB 3.46Å; H355-D516 IonicContact CE1-OD2 3.93Å; H355-D516 IonicContact NE2-OD2 3.03Å; H355-D516 PolarHBondContact NE2-OD2 3.09Å
356	R	82.3	Confident	88.2	Confident	159 Å²	159	51 Å²	51	60%	0.6	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.6	-174.3	-58.3	-176.3	177.2	-169.7	-0.8	113.7	L352 Q353 N387 D388	L352-R356 PolarHBondContact O-N 2.98Å; Q353-R356 PolarHBondContact O-N 3.17Å; R356-N387 HydrophobicContact CB-CB 4.41Å; R356-N387 WeakPolarHBondContact O-CB 3.46Å; R356-N387 PolarHBondContact O-N 3.16Å; R356-D388 IonicContact NH1-OD1 3.65Å
357	L	85.5	Confident	88.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.7	179.2	-65.1	-177.7	0	0	0	112.1	L352 H355 V384 R386 M507 L517	L352-L357 HydrophobicContact CB-CB 4.31Å; L352-L357 PolarHBondContact N-O 3.37Å; L352-L357 PolarHBondContact O-N 3.13Å; H355-L357 HydrophobicContact CB-CD1 4.38Å; H355-L357 HydrophobicContact CB-CG 4.25Å; H355-L357 PolarHBondContact O-N 2.71Å; L357-V384 HydrophobicContact CD1-CG1 3.92Å; L357-V384 HydrophobicContact CD2-CG1 4.11Å; L357-V384 HydrophobicContact CG-CG1 4.43Å; L357-R386 HydrophobicContact CD2-CB 4.25Å; L357-R386 HydrophobicContact CD2-CG 3.73Å; L357-M507 HydrophobicContact CD1-CE 3.67Å; L357-M507 HydrophobicContact CD1-SD 3.45Å; L357-M507 WeakPolarHBondContact CD1-SD 3.35Å; L357-M507 HydrophobicContact CG-SD 4.49Å; L357-L517 HydrophobicContact CD1-CD1 4.49Å
358	Q	87.9	Confident	88.6	Confident	36 Å²	36	49.6 Å²	49.6	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.7	165.6	-68.5	-177	-4.3	0	0	109.6	M350 V351 I385 N387	M350-Q358 CarbonylContact O-C 3.47Å; M350-Q358 WeakPolarHBondContact O-CA 3.21Å; V351-Q358 HydrophobicContact CG1-CG 4.23Å; V351-Q358 HydrophobicContact CG2-CG 4.17Å; Q358-I385 PolarHBondContact N-O 3.48Å; Q358-I385 PolarHBondContact O-N 2.68Å; Q358-N387 VanDerWaalsContact CG-OD1 3.23Å; Q358-N387 WeakPolarHBondContact CG-OD1 3.39Å; Q358-N387 PolarHBondContact NE2-OD1 3.04Å; Q358-N387 VanDerWaalsContact NE2-OD1 3.09Å
359	I	90.2	Very high	88.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.2	177.3	-53.1	173.7	0	0	0	107.2	A349 M350 L352 P361 H382 K383 L517 Q520 I521	A349-I359 WeakPolarHBondContact CA-O 3.03Å; M350-I359 HydrophobicContact CB-CB 4.38Å; M350-I359 HydrophobicContact CE-CB 4.2Å; M350-I359 HydrophobicContact CE-CG2 3.97Å; M350-I359 PolarHBondContact N-O 2.99Å; M350-I359 PolarHBondContact O-N 2.9Å; L352-I359 HydrophobicContact CD1-CD1 3.77Å; L352-I359 HydrophobicContact CD1-CG1 4.48Å; L352-I359 HydrophobicContact CG-CD1 4.2Å; I359-P361 WeakPolarHBondContact O-CD 2.91Å; I359-H382 HydrophobicContact CG2-CB 3.8Å; I359-K383 WeakPolarHBondContact CA-O 3.47Å; I359-L517 HydrophobicContact CD1-CD1 3.59Å; I359-L517 HydrophobicContact CG1-CD1 4.14Å; I359-Q520 HydrophobicContact CD1-CB 3.84Å; I359-Q520 HydrophobicContact CD1-CG 4.33Å; I359-I521 HydrophobicContact CD1-CG1 4.41Å; I359-I521 HydrophobicContact CG2-CG1 4.41Å
360	W	91.3	Very high	88.9	Confident	9 Å²	9	49.6 Å²	49.6	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.5	174.9	-63.9	1.2	0	0	0	109	Y344 P346 A349 H382 K383 I385 I419 N424	Y344-W360 WeakPolarHBondContact CD1-O 3.43Å; P346-W360 HydrophobicContact CB-CD2 4.03Å; P346-W360 HydrophobicContact CB-CE3 4.14Å; P346-W360 HydrophobicContact CB-CH2 4.01Å; P346-W360 HydrophobicContact CB-CZ2 3.88Å; P346-W360 HydrophobicContact CB-CZ3 4.14Å; P346-W360 HydrophobicContact CG-CD2 4.21Å; P346-W360 HydrophobicContact CG-CE3 3.82Å; P346-W360 HydrophobicContact CG-CH2 4Å; P346-W360 HydrophobicContact CG-CZ2 4.37Å; P346-W360 HydrophobicContact CG-CZ3 3.72Å; A349-W360 HydrophobicContact CB-CG 4.45Å; W360-H382 WeakPolarHBondContact O-CA 3.5Å; W360-K383 HydrophobicContact CB-CB 4.32Å; W360-K383 PolarHBondContact N-O 2.92Å; W360-K383 PolarHBondContact O-N 2.92Å; W360-I385 HydrophobicContact CD2-CD1 3.3Å; W360-I385 HydrophobicContact CE3-CD1 3.49Å; W360-I385 VanDerWaalsContact CE3-CD1 3.49Å; W360-I385 HydrophobicContact CG-CD1 3.92Å; W360-I385 HydrophobicContact CH2-CD1 3.67Å; W360-I385 HydrophobicContact CZ2-CD1 3.49Å; W360-I385 VanDerWaalsContact CZ2-CD1 3.49Å; W360-I385 HydrophobicContact CZ3-CD1 3.67Å; W360-I419 HydrophobicContact CH2-CD1 4.06Å; W360-I419 HydrophobicContact CZ3-CD1 3.86Å; W360-N424 VanDerWaalsContact CH2-OD1 3.3Å; W360-N424 WeakPolarHBondContact CH2-OD1 3.5Å
361	P	93.9	Very high	89	Confident	34 Å²	34	49.6 Å²	49.6	22%	0.221	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.4	172.2	31.5	-34.6	0	0	0	110	Y344 D345 S348 I359	Y344-P361 WeakPolarHBondContact CA-O 3.43Å; D345-P361 PolarHBondContact N-O 2.91Å; S348-P361 VanDerWaalsContact O-CD 3.29Å; S348-P361 WeakPolarHBondContact O-CD 3.4Å; S348-P361 WeakPolarHBondContact O-CG 3.35Å; I359-P361 WeakPolarHBondContact O-CD 2.91Å
362	G	94.4	Very high	89.1	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-173.4	-174.6	0	0	0	0	0	113.4	F343 S381	F343-G362 CarbonylContact O-C 3.48Å; F343-G362 WeakPolarHBondContact O-CA 3.34Å; G362-S381 CarbonylContact C-O 3.54Å; G362-S381 WeakPolarHBondContact CA-O 3.39Å; G362-S381 PolarHBondContact N-O 3.44Å; G362-S381 PolarHBondContact O-N 3.33Å; G362-S381 VanDerWaalsContact O-O 3.08Å
363	Y	95	Very high	89.4	Confident	21 Å²	21	47.4 Å²	47.4	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.8	-176.3	-52.9	-83.8	0	0	0	110.6	M331 M336 F343 D379 V380 A531 L532 L535	M331-Y363 HydrophobicContact CE-CD2 4.22Å; M336-Y363 HydrophobicContact CE-CD2 3.77Å; M336-Y363 HydrophobicContact CE-CE2 4.12Å; F343-Y363 PolarHBondContact N-O 3.36Å; F343-Y363 PolarHBondContact O-N 3.25Å; Y363-D379 CarbonylContact C-O 3.51Å; Y363-D379 VanDerWaalsContact CA-O 3.23Å; Y363-D379 WeakPolarHBondContact CA-O 3.41Å; Y363-V380 HydrophobicContact CD1-CG2 4.39Å; Y363-V380 HydrophobicContact CE1-CG2 4.23Å; Y363-A531 PolarHBondContact OH-O 3.43Å; Y363-A531 VanDerWaalsContact OH-O 3.07Å; Y363-L532 HydrophobicContact CD1-CD2 4.29Å; Y363-L532 HydrophobicContact CE1-CD2 4.46Å; Y363-L535 HydrophobicContact CD1-CB 4.43Å; Y363-L535 HydrophobicContact CD1-CD2 3.88Å; Y363-L535 HydrophobicContact CD2-CD1 3.99Å; Y363-L535 HydrophobicContact CD2-CD2 4.1Å; Y363-L535 HydrophobicContact CD2-CG 4.45Å; Y363-L535 HydrophobicContact CE1-CB 3.94Å; Y363-L535 HydrophobicContact CE1-CD2 4.25Å; Y363-L535 HydrophobicContact CE2-CB 4.13Å; Y363-L535 HydrophobicContact CE2-CD1 3.99Å; Y363-L535 HydrophobicContact CE2-CD2 4.47Å; Y363-L535 HydrophobicContact CE2-CG 4.42Å; Y363-L535 HydrophobicContact CG-CD2 3.8Å
364	A	93.6	Very high	90.1	Very high	16 Å²	16	40.9 Å²	40.9	13%	0.132	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.7	160.1	0	0	0	0	0	107.4	N342 A378 D379	N342-A364 HydrophobicContact CB-CB 4.47Å; N342-A364 VanDerWaalsContact OD1-CB 3.29Å; N342-A364 WeakPolarHBondContact OD1-CB 3.22Å; A364-A378 CarbonylContact O-C 3.41Å; A364-A378 WeakPolarHBondContact O-CA 3.36Å; A364-D379 HydrophobicContact CB-CB 4.43Å; A364-D379 PolarHBondContact N-O 3.2Å; A364-D379 PolarHBondContact O-N 3.5Å
365	A	92.5	Very high	90.8	Very high	15 Å²	15	32.8 Å²	32.8	12%	0.124	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.2	-174.3	0	0	0	0	0	111	F327 F343 L376 L377	F327-A365 HydrophobicContact CD1-CB 4.03Å; F327-A365 HydrophobicContact CE1-CB 3.4Å; F327-A365 VanDerWaalsContact CE1-CB 3.4Å; F327-A365 HydrophobicContact CZ-CB 4.25Å; F343-A365 HydrophobicContact CE2-CB 4.47Å; A365-L376 HydrophobicContact CB-CD1 4.26Å; A365-L377 CarbonylContact C-O 3.6Å; A365-L377 VanDerWaalsContact CA-O 3.3Å; A365-L377 WeakPolarHBondContact CA-O 3.47Å
366	S	92.6	Very high	91.6	Very high	27 Å²	27	30.5 Å²	30.5	19%	0.189	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	133.8	174.5	65.6	0	0	0	0	111.1	N324 R368 L377	N324-S366 WeakPolarHBondContact OD1-CA 3.33Å; S366-R368 PolarHBondContact OG-NE 2.98Å; S366-R368 VanDerWaalsContact OG-NE 3.12Å; S366-L377 PolarHBondContact N-O 3.42Å; S366-L377 WeakPolarHBondContact O-CB 3.34Å; S366-L377 PolarHBondContact O-N 2.97Å
367	I	94.1	Very high	92.3	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.3	169.9	-62.8	177.5	0	0	0	108.5	I233 I320 N324 F327 L374 F375 L376	I233-I367 HydrophobicContact CD1-CB 4.48Å; I233-I367 HydrophobicContact CD1-CD1 3.87Å; I233-I367 HydrophobicContact CD1-CG1 3.87Å; I233-I367 HydrophobicContact CD1-CG2 3.91Å; I320-I367 WeakPolarHBondContact CG2-O 3.41Å; N324-I367 PolarHBondContact ND2-O 3.42Å; N324-I367 PolarHBondContact OD1-N 2.98Å; F327-I367 HydrophobicContact CB-CD1 4.07Å; I367-L374 HydrophobicContact CG2-CD1 3.69Å; I367-L374 HydrophobicContact CG2-CD2 4.38Å; I367-L374 HydrophobicContact CG2-CG 4Å; I367-F375 CarbonylContact C-O 3.24Å; I367-F375 WeakPolarHBondContact CA-O 3.25Å; I367-L376 HydrophobicContact CG1-CD1 3.84Å
368	R	91.3	Very high	92.7	Very high	114 Å²	114	23.2 Å²	23.2	43%	0.43	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152	180	-59	-173	-175.8	-156.9	-0.5	110.2	S366 F375	S366-R368 PolarHBondContact OG-NE 2.98Å; S366-R368 VanDerWaalsContact OG-NE 3.12Å; R368-F375 PolarHBondContact N-O 2.9Å; R368-F375 PolarHBondContact O-N 3.43Å
369	R	91.4	Very high	93	Very high	76 Å²	76	23.2 Å²	23.2	29%	0.287	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.3	167.2	-175.3	-170	-166.9	166.3	13.7	108.9	E313 C315 D317 I320 G373	E313-R369 IonicContact OE2-NH2 3.06Å; E313-R369 PolarHBondContact OE2-NH2 3.08Å; C315-R369 VanDerWaalsContact O-CD 3.23Å; C315-R369 WeakPolarHBondContact O-CD 3.17Å; C315-R369 PolarHBondContact O-NE 3.36Å; D317-R369 WeakPolarHBondContact OD1-CB 3.26Å; D317-R369 VanDerWaalsContact OD1-CD 3.25Å; D317-R369 WeakPolarHBondContact OD1-CD 3.5Å; D317-R369 IonicContact OD2-NH1 2.75Å; D317-R369 PolarHBondContact OD2-NH1 3.38Å; I320-R369 HydrophobicContact CD1-CB 3.63Å; R369-G373 WeakPolarHBondContact CA-O 3.16Å
370	T	91.9	Very high	93.2	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.098	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	176.5	170.1	60.2	0	0	0	0	108.2	G372 G373 F375 T880 I881 T882	T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 PolarHBondContact OG1-N 3.05Å; T370-G373 PolarHBondContact N-O 3.4Å; T370-G373 PolarHBondContact O-N 3.18Å; T370-G373 PolarHBondContact OG1-O 2.91Å; T370-F375 VanDerWaalsContact OG1-CD2 3.24Å; T370-F375 WeakPolarHBondContact OG1-CD2 3.34Å; T370-F375 VanDerWaalsContact OG1-CE2 3.28Å; T370-F375 WeakPolarHBondContact OG1-CE2 3.21Å; T370-T880 WeakPolarHBondContact CB-O 3.34Å; T370-T880 PolarHBondContact OG1-O 2.92Å; T370-I881 WeakPolarHBondContact CG2-O 3.26Å; T370-T882 WeakPolarHBondContact CB-O 3.32Å
371	D	89.6	Confident	93.2	Very high	65 Å²	65	24.7 Å²	24.7	35%	0.348	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.5	171.6	64	-24.6	0	0	0	113.4	G373 H879 T880 I881 T882	D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact O-N 3.07Å; D371-H879 WeakPolarHBondContact OD2-CA 3.49Å; D371-T880 VanDerWaalsContact CG-N 3.3Å; D371-T880 WeakPolarHBondContact OD1-CA 3.19Å; D371-T880 PolarHBondContact OD1-N 3.02Å; D371-T880 VanDerWaalsContact OD1-O 3.12Å; D371-T880 PolarHBondContact OD2-N 3.32Å; D371-I881 PolarHBondContact OD1-N 3.48Å; D371-T882 VanDerWaalsContact CG-OG1 3.26Å; D371-T882 PolarHBondContact N-O 3.43Å; D371-T882 PolarHBondContact OD1-N 3.04Å; D371-T882 VanDerWaalsContact OD1-N 3.16Å; D371-T882 PolarHBondContact OD1-OG1 3.18Å; D371-T882 PolarHBondContact OD2-OG1 3.37Å
372	G	89.3	Confident	93.1	Very high	22 Å²	22	24.6 Å²	24.6	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.6	172.4	0	0	0	0	0	115.8	T370 F375 T880	T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 PolarHBondContact OG1-N 3.05Å; G372-F375 VanDerWaalsContact C-CE2 3.5Å; G372-F375 WeakPolarHBondContact O-CE2 3.34Å; G372-T880 VanDerWaalsContact CA-O 3.28Å; G372-T880 WeakPolarHBondContact CA-O 3.39Å; G372-T880 PolarHBondContact N-O 3.38Å
373	G	91.9	Very high	92.7	Very high	22 Å²	22	26.9 Å²	26.9	23%	0.227	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.4	-149.6	-180	0	0	0	0	0	113.8	R369 T370 D371	R369-G373 WeakPolarHBondContact CA-O 3.16Å; T370-G373 PolarHBondContact N-O 3.4Å; T370-G373 PolarHBondContact O-N 3.18Å; T370-G373 PolarHBondContact OG1-O 2.91Å; D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact O-N 3.07Å
374	L	93.9	Very high	92.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.9	-177	-165.6	71	0	0	0	110.9	I233 I320 Y323 I367 L554	I233-L374 HydrophobicContact CB-CB 4.28Å; I233-L374 HydrophobicContact CB-CD2 4.04Å; I233-L374 HydrophobicContact CB-CG 4.15Å; I233-L374 HydrophobicContact CD1-CD2 4.24Å; I233-L374 HydrophobicContact CD1-CG 4.18Å; I233-L374 HydrophobicContact CG2-CD2 3.99Å; I233-L374 PolarHBondContact N-O 3.1Å; I320-L374 HydrophobicContact CG1-CD1 4.36Å; Y323-L374 HydrophobicContact CD2-CD2 4Å; Y323-L374 HydrophobicContact CE2-CD2 3.91Å; I367-L374 HydrophobicContact CG2-CD1 3.69Å; I367-L374 HydrophobicContact CG2-CD2 4.38Å; I367-L374 HydrophobicContact CG2-CG 4Å; L374-L554 HydrophobicContact CD2-CD2 4.31Å
375	F	95.6	Very high	92	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	179.9	-68	-86.4	0	0	0	112.2	L230 I231 K232 I367 R368 T370 G372 H561 T880	L230-F375 HydrophobicContact CB-CB 4.39Å; L230-F375 HydrophobicContact CB-CD1 3.97Å; L230-F375 HydrophobicContact CB-CG 4.38Å; L230-F375 HydrophobicContact CD2-CB 3.65Å; L230-F375 HydrophobicContact CD2-CG 4.26Å; I231-F375 WeakPolarHBondContact O-CA 3.33Å; K232-F375 HydrophobicContact CB-CD1 4.07Å; K232-F375 HydrophobicContact CB-CE1 3.75Å; K232-F375 HydrophobicContact CD-CE1 4.4Å; K232-F375 HydrophobicContact CG-CD1 4.43Å; K232-F375 HydrophobicContact CG-CE1 3.92Å; K232-F375 HydrophobicContact CG-CZ 4.38Å; I367-F375 CarbonylContact C-O 3.24Å; I367-F375 WeakPolarHBondContact CA-O 3.25Å; R368-F375 PolarHBondContact N-O 2.9Å; R368-F375 PolarHBondContact O-N 3.43Å; T370-F375 VanDerWaalsContact OG1-CD2 3.24Å; T370-F375 WeakPolarHBondContact OG1-CD2 3.34Å; T370-F375 VanDerWaalsContact OG1-CE2 3.28Å; T370-F375 WeakPolarHBondContact OG1-CE2 3.21Å; G372-F375 VanDerWaalsContact C-CE2 3.5Å; G372-F375 WeakPolarHBondContact O-CE2 3.34Å; F375-H561 HydrophobicContact CE1-CB 4.03Å; F375-H561 AromaticContact CE1-CD2 3.58Å; F375-H561 AromaticContact CE1-CG 3.64Å; F375-H561 AromaticContact CZ-CD2 3.8Å; F375-H561 AromaticContact CZ-NE2 3.9Å; F375-T880 HydrophobicContact CE2-CG2 4.4Å; F375-T880 HydrophobicContact CZ-CG2 3.99Å
376	L	96.1	Very high	91.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.6	161.2	175.3	68.5	0	0	0	108.1	L230 I231 I233 F327 A365 I367 A378 L556	L230-L376 WeakPolarHBondContact CA-O 3.27Å; I231-L376 HydrophobicContact CB-CB 4.27Å; I231-L376 HydrophobicContact CD1-CD2 4.44Å; I231-L376 PolarHBondContact N-O 2.83Å; I231-L376 PolarHBondContact O-N 2.83Å; I233-L376 HydrophobicContact CD1-CB 4.02Å; I233-L376 HydrophobicContact CG1-CB 4.29Å; F327-L376 HydrophobicContact CD1-CD1 4.13Å; F327-L376 HydrophobicContact CD2-CD1 4.02Å; F327-L376 HydrophobicContact CD2-CD2 4.27Å; F327-L376 HydrophobicContact CE1-CD1 3.96Å; F327-L376 HydrophobicContact CE1-CD2 4.47Å; F327-L376 HydrophobicContact CE2-CD1 3.84Å; F327-L376 HydrophobicContact CE2-CD2 3.41Å; F327-L376 VanDerWaalsContact CE2-CD2 3.41Å; F327-L376 HydrophobicContact CE2-CG 4.28Å; F327-L376 HydrophobicContact CG-CD1 4.17Å; F327-L376 HydrophobicContact CZ-CD1 3.81Å; F327-L376 HydrophobicContact CZ-CD2 3.54Å; F327-L376 HydrophobicContact CZ-CG 4.3Å; A365-L376 HydrophobicContact CB-CD1 4.26Å; I367-L376 HydrophobicContact CG1-CD1 3.84Å; L376-A378 HydrophobicContact CG-CB 4.48Å; L376-A378 PolarHBondContact O-N 2.99Å; L376-L556 HydrophobicContact CB-CD2 4.4Å; L376-L556 HydrophobicContact CD2-CD1 4.23Å; L376-L556 HydrophobicContact CD2-CD2 4.22Å
377	L	95.4	Very high	91.2	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.4	168.1	178.4	61.9	0	0	0	108.2	L230 A365 S366	L230-L377 HydrophobicContact CD2-CB 3.73Å; L230-L377 HydrophobicContact CD2-CD1 3.8Å; L230-L377 HydrophobicContact CD2-CG 4.33Å; L230-L377 HydrophobicContact CG-CD1 4.04Å; A365-L377 CarbonylContact C-O 3.6Å; A365-L377 VanDerWaalsContact CA-O 3.3Å; A365-L377 WeakPolarHBondContact CA-O 3.47Å; S366-L377 PolarHBondContact N-O 3.42Å; S366-L377 WeakPolarHBondContact O-CB 3.34Å; S366-L377 PolarHBondContact O-N 2.97Å
378	A	95.2	Very high	90.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.4	179.7	0	0	0	0	0	110	N229 I231 A364 L376 L532	N229-A378 VanDerWaalsContact CB-O 3.29Å; N229-A378 WeakPolarHBondContact CB-O 3.46Å; N229-A378 PolarHBondContact ND2-O 3.33Å; N229-A378 PolarHBondContact O-N 2.84Å; N229-A378 VanDerWaalsContact O-N 3.08Å; I231-A378 HydrophobicContact CD1-CB 3.77Å; A364-A378 CarbonylContact O-C 3.41Å; A364-A378 WeakPolarHBondContact O-CA 3.36Å; L376-A378 HydrophobicContact CG-CB 4.48Å; L376-A378 PolarHBondContact O-N 2.99Å; A378-L532 HydrophobicContact CB-CD2 3.94Å
379	D	94.8	Very high	90.7	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.193	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.6	179.6	-170.8	26.8	0	0	0	109.9	Y363 A364 S381 H528 N859	Y363-D379 CarbonylContact C-O 3.51Å; Y363-D379 VanDerWaalsContact CA-O 3.23Å; Y363-D379 WeakPolarHBondContact CA-O 3.41Å; A364-D379 HydrophobicContact CB-CB 4.43Å; A364-D379 PolarHBondContact N-O 3.2Å; A364-D379 PolarHBondContact O-N 3.5Å; D379-S381 PolarHBondContact O-N 3.22Å; D379-H528 IonicContact OD1-CD2 3.99Å; D379-H528 IonicContact OD1-CE1 3.84Å; D379-H528 PolarHBondContact OD1-CE1 3.37Å; D379-H528 IonicContact OD1-NE2 3.28Å; D379-H528 PolarHBondContact OD1-NE2 3.44Å; D379-N859 PolarHBondContact OD1-ND2 3.01Å
380	V	93.6	Very high	90.8	Very high	19 Å²	19	20.7 Å²	20.7	12%	0.115	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.2	179.3	-173.1	0	0	0	0	108.8	Y363 L523 H528 A531 L532	Y363-V380 HydrophobicContact CD1-CG2 4.39Å; Y363-V380 HydrophobicContact CE1-CG2 4.23Å; V380-L523 HydrophobicContact CB-CD1 3.95Å; V380-L523 HydrophobicContact CG1-CD1 3.55Å; V380-L523 HydrophobicContact CG2-CD1 4.24Å; V380-H528 PolarHBondContact N-NE2 3.25Å; V380-A531 HydrophobicContact CG1-CB 4.44Å; V380-A531 HydrophobicContact CG2-CB 3.67Å; V380-L532 HydrophobicContact CG2-CD2 4.11Å; V380-L532 HydrophobicContact CG2-CG 4.41Å
381	S	91.6	Very high	90.9	Very high	22 Å²	22	20.5 Å²	20.5	15%	0.154	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.7	-176.7	-168.5	0	0	0	0	110.6	Y344 G362 D379	Y344-S381 WeakPolarHBondContact CE1-O 3.46Å; Y344-S381 PolarHBondContact OH-OG 3.38Å; G362-S381 CarbonylContact C-O 3.54Å; G362-S381 WeakPolarHBondContact CA-O 3.39Å; G362-S381 PolarHBondContact N-O 3.44Å; G362-S381 PolarHBondContact O-N 3.33Å; G362-S381 VanDerWaalsContact O-O 3.08Å; D379-S381 PolarHBondContact O-N 3.22Å
382	H	90.4	Very high	91	Very high	31 Å²	31	21.1 Å²	21.1	14%	0.144	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.7	175.8	-61.9	94.9	0	0	0	109.8	I359 W360 I521	I359-H382 HydrophobicContact CG2-CB 3.8Å; W360-H382 WeakPolarHBondContact O-CA 3.5Å; H382-I521 HydrophobicContact CB-CD1 4.45Å; H382-I521 HydrophobicContact CB-CG1 4.05Å; H382-I521 HydrophobicContact CB-CG2 4.14Å
383	K	87.6	Confident	91	Very high	49 Å²	49	21.2 Å²	21.2	21%	0.213	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.7	172.6	-169	73.9	176.8	-176.3	0	109.3	V339 Y344 I359 W360 I385	V339-K383 HydrophobicContact CG1-CD 4.48Å; Y344-K383 HydrophobicContact CD1-CB 3.77Å; Y344-K383 HydrophobicContact CD2-CB 4.33Å; Y344-K383 HydrophobicContact CE1-CB 3.63Å; Y344-K383 HydrophobicContact CE2-CB 4.16Å; Y344-K383 HydrophobicContact CE2-CD 4.45Å; Y344-K383 HydrophobicContact CG-CB 4.12Å; I359-K383 WeakPolarHBondContact CA-O 3.47Å; W360-K383 HydrophobicContact CB-CB 4.32Å; W360-K383 PolarHBondContact N-O 2.92Å; W360-K383 PolarHBondContact O-N 2.92Å; K383-I385 HydrophobicContact CG-CD1 4.24Å; K383-I385 HydrophobicContact CG-CG1 4.08Å
384	V	88	Confident	91	Very high	13 Å²	13	20.1 Å²	20.1	8%	0.079	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.7	174.2	-175	0	0	0	0	109.4	L357 G502 I503 L517 I521	L357-V384 HydrophobicContact CD1-CG1 3.92Å; L357-V384 HydrophobicContact CD2-CG1 4.11Å; L357-V384 HydrophobicContact CG-CG1 4.43Å; V384-G502 PolarHBondContact O-N 2.81Å; V384-I503 HydrophobicContact CG1-CG1 4.42Å; V384-L517 HydrophobicContact CG2-CD1 4.15Å; V384-I521 HydrophobicContact CG2-CD1 3.63Å
385	I	85.1	Confident	90.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.8	-180	-64.2	165.9	0	0	0	107.7	Q358 W360 K383 I419	Q358-I385 PolarHBondContact N-O 3.48Å; Q358-I385 PolarHBondContact O-N 2.68Å; W360-I385 HydrophobicContact CD2-CD1 3.3Å; W360-I385 HydrophobicContact CE3-CD1 3.49Å; W360-I385 VanDerWaalsContact CE3-CD1 3.49Å; W360-I385 HydrophobicContact CG-CD1 3.92Å; W360-I385 HydrophobicContact CH2-CD1 3.67Å; W360-I385 HydrophobicContact CZ2-CD1 3.49Å; W360-I385 VanDerWaalsContact CZ2-CD1 3.49Å; W360-I385 HydrophobicContact CZ3-CD1 3.67Å; K383-I385 HydrophobicContact CG-CD1 4.24Å; K383-I385 HydrophobicContact CG-CG1 4.08Å; I385-I419 HydrophobicContact CD1-CD1 4.03Å; I385-I419 HydrophobicContact CD1-CG2 4.4Å; I385-I419 HydrophobicContact CG1-CG2 4.32Å; I385-I419 HydrophobicContact CG2-CG2 3.96Å
386	R	85.8	Confident	90.6	Very high	40 Å²	40	24.3 Å²	24.3	15%	0.151	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.5	175.6	-51.9	-170.6	-165.7	164.8	9.7	109.7	L357 D388 R421 M500 G502 I503 P504	L357-R386 HydrophobicContact CD2-CB 4.25Å; L357-R386 HydrophobicContact CD2-CG 3.73Å; R386-D388 VanDerWaalsContact C-N 3.29Å; R386-R421 PolarHBondContact O-NH2 2.84Å; R386-M500 HydrophobicContact CB-CB 4.15Å; R386-M500 WeakPolarHBondContact CB-O 3.39Å; R386-M500 HydrophobicContact CG-CB 4.13Å; R386-M500 WeakPolarHBondContact CG-O 3.35Å; R386-M500 PolarHBondContact N-O 3.39Å; R386-G502 PolarHBondContact NE-O 2.78Å; R386-G502 PolarHBondContact NH2-O 2.83Å; R386-I503 PolarHBondContact NH2-O 2.79Å; R386-P504 VanDerWaalsContact NH2-CA 3.31Å
387	N	81.9	Confident	90.2	Very high	40 Å²	40	25.2 Å²	25.2	21%	0.214	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-19.9	171.5	-75.6	-25.6	0	0	0	112.9	R356 Q358 S389 R421 F499	R356-N387 HydrophobicContact CB-CB 4.41Å; R356-N387 WeakPolarHBondContact O-CB 3.46Å; R356-N387 PolarHBondContact O-N 3.16Å; Q358-N387 VanDerWaalsContact CG-OD1 3.23Å; Q358-N387 WeakPolarHBondContact CG-OD1 3.39Å; Q358-N387 PolarHBondContact NE2-OD1 3.04Å; Q358-N387 VanDerWaalsContact NE2-OD1 3.09Å; N387-S389 PolarHBondContact O-N 2.71Å; N387-R421 PolarHBondContact OD1-NH2 2.88Å; N387-F499 WeakPolarHBondContact O-CE1 3.49Å
388	D	85.3	Confident	89.9	Confident	44 Å²	44	27.4 Å²	27.4	24%	0.235	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.4	176.6	-44	-52.7	0	0	0	109.9	R356 R386 D392 V393 M500	R356-D388 IonicContact NH1-OD1 3.65Å; R386-D388 VanDerWaalsContact C-N 3.29Å; D388-D392 HydrophobicContact CB-CB 4.22Å; D388-V393 HydrophobicContact CB-CG2 4.28Å; D388-M500 PolarHBondContact O-N 2.89Å
389	S	90.9	Very high	89.7	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	163.2	166	68.1	0	0	0	0	110	N387 L391 D392 V393 E496 S498	N387-S389 PolarHBondContact O-N 2.71Å; S389-L391 PolarHBondContact O-N 3.29Å; S389-L391 PolarHBondContact OG-N 2.75Å; S389-D392 WeakPolarHBondContact CB-OD2 3.43Å; S389-D392 PolarHBondContact N-OD2 3.21Å; S389-D392 PolarHBondContact O-N 3.23Å; S389-D392 PolarHBondContact OG-N 3.12Å; S389-D392 PolarHBondContact OG-OD2 3.47Å; S389-V393 PolarHBondContact O-N 2.86Å; S389-E496 WeakPolarHBondContact CB-O 3.32Å; S389-S498 CarbonylContact C-O 3.58Å; S389-S498 WeakPolarHBondContact CA-O 3.34Å
390	V	93.1	Very high	89.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-35.6	172	175.4	0	0	0	0	109.5	D392 V393 M394 L413 V418 I429 L472 P495 S498 M500	V390-D392 PolarHBondContact O-N 3.09Å; V390-V393 WeakPolarHBondContact O-CB 3.38Å; V390-V393 PolarHBondContact O-N 2.9Å; V390-M394 HydrophobicContact CG1-CG 4.31Å; V390-M394 HydrophobicContact CG1-SD 4.09Å; V390-M394 VanDerWaalsContact O-CG 3.27Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 3.42Å; V390-L413 HydrophobicContact CG1-CD1 3.7Å; V390-L413 HydrophobicContact CG1-CD2 3.95Å; V390-L413 HydrophobicContact CG1-CG 4.46Å; V390-V418 HydrophobicContact CG2-CG1 3.58Å; V390-I429 HydrophobicContact CG2-CD1 4.44Å; V390-L472 HydrophobicContact CB-CD1 4.23Å; V390-L472 HydrophobicContact CG1-CD1 4.08Å; V390-L472 HydrophobicContact CG1-CD2 4.05Å; V390-L472 HydrophobicContact CG2-CD1 4.03Å; V390-P495 HydrophobicContact CB-CB 4.05Å; V390-P495 HydrophobicContact CG1-CB 4.05Å; V390-P495 PolarHBondContact N-O 3.01Å; V390-S498 WeakPolarHBondContact CG2-O 3.33Å; V390-S498 PolarHBondContact N-O 2.9Å; V390-M500 HydrophobicContact CG2-CG 4.24Å; V390-M500 HydrophobicContact CG2-SD 3.98Å
391	L	93.6	Very high	88.9	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-43.2	175.8	-171.6	62.2	0	0	0	112.4	F8 S389 V393 M394 H395 E466 Q469 P495 E496	F8-L391 HydrophobicContact CZ-CD1 4.26Å; S389-L391 PolarHBondContact O-N 3.29Å; S389-L391 PolarHBondContact OG-N 2.75Å; L391-V393 VanDerWaalsContact C-N 3.28Å; L391-V393 PolarHBondContact O-N 2.91Å; L391-M394 WeakPolarHBondContact O-CB 3.45Å; L391-M394 PolarHBondContact O-N 2.58Å; L391-M394 VanDerWaalsContact O-N 3.12Å; L391-H395 PolarHBondContact O-N 2.83Å; L391-E466 HydrophobicContact CD2-CB 3.72Å; L391-E466 HydrophobicContact CD2-CG 4.18Å; L391-Q469 HydrophobicContact CD1-CB 3.94Å; L391-P495 HydrophobicContact CB-CB 3.95Å; L391-P495 HydrophobicContact CD1-CB 4.44Å; L391-P495 PolarHBondContact N-O 3.21Å; L391-E496 HydrophobicContact CB-CB 4.45Å; L391-E496 HydrophobicContact CD2-CB 3.91Å; L391-E496 HydrophobicContact CD2-CG 4.32Å
392	D	91.9	Very high	88.6	Confident	78 Å²	78	48.7 Å²	48.7	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-40.2	176.3	-62.3	-48.6	0	0	0	111.8	D388 S389 V390 H395 A396	D388-D392 HydrophobicContact CB-CB 4.22Å; S389-D392 WeakPolarHBondContact CB-OD2 3.43Å; S389-D392 PolarHBondContact N-OD2 3.21Å; S389-D392 PolarHBondContact O-N 3.23Å; S389-D392 PolarHBondContact OG-N 3.12Å; S389-D392 PolarHBondContact OG-OD2 3.47Å; V390-D392 PolarHBondContact O-N 3.09Å; D392-H395 PolarHBondContact O-N 2.86Å; D392-A396 PolarHBondContact O-N 2.81Å
393	V	89	Confident	88.3	Confident	24 Å²	24	55.2 Å²	55.2	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-41.9	175.8	176.8	0	0	0	0	110.6	D388 S389 V390 L391 A396 I397 L412 L413 M500	D388-V393 HydrophobicContact CB-CG2 4.28Å; S389-V393 PolarHBondContact O-N 2.86Å; V390-V393 WeakPolarHBondContact O-CB 3.38Å; V390-V393 PolarHBondContact O-N 2.9Å; L391-V393 VanDerWaalsContact C-N 3.28Å; L391-V393 PolarHBondContact O-N 2.91Å; V393-A396 PolarHBondContact O-N 2.89Å; V393-I397 HydrophobicContact CG1-CD1 4.06Å; V393-I397 VanDerWaalsContact O-CG1 3.3Å; V393-I397 WeakPolarHBondContact O-CG1 3.43Å; V393-I397 PolarHBondContact O-N 3.37Å; V393-L412 HydrophobicContact CG1-CD2 3.86Å; V393-L413 HydrophobicContact CG1-CD2 4.3Å; V393-M500 HydrophobicContact CG2-CG 4.2Å
394	M	92.5	Very high	88.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-45.7	175.3	-67	177.9	76.2	0	0	110.9	V390 L391 A396 I397 Y398 F405 L413 W434 P470 P495	V390-M394 HydrophobicContact CG1-CG 4.31Å; V390-M394 HydrophobicContact CG1-SD 4.09Å; V390-M394 VanDerWaalsContact O-CG 3.27Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 3.42Å; L391-M394 WeakPolarHBondContact O-CB 3.45Å; L391-M394 PolarHBondContact O-N 2.58Å; L391-M394 VanDerWaalsContact O-N 3.12Å; M394-A396 VanDerWaalsContact C-N 3.31Å; M394-A396 PolarHBondContact O-N 2.68Å; M394-I397 PolarHBondContact O-N 3.02Å; M394-I397 VanDerWaalsContact O-N 3.14Å; M394-Y398 WeakPolarHBondContact O-CB 3.46Å; M394-Y398 PolarHBondContact O-N 2.77Å; M394-F405 HydrophobicContact CB-CE2 4.15Å; M394-F405 HydrophobicContact CB-CZ 4.1Å; M394-F405 HydrophobicContact CE-CZ 3.89Å; M394-F405 VanDerWaalsContact O-CE2 3.23Å; M394-F405 WeakPolarHBondContact O-CE2 3.25Å; M394-L413 HydrophobicContact CG-CD1 3.95Å; M394-L413 HydrophobicContact SD-CD1 4.28Å; M394-W434 HydrophobicContact CE-CH2 3.46Å; M394-W434 VanDerWaalsContact CE-CH2 3.46Å; M394-W434 HydrophobicContact CE-CZ3 3.48Å; M394-W434 VanDerWaalsContact CE-CZ3 3.48Å; M394-P470 HydrophobicContact CE-CG 3.34Å; M394-P470 HydrophobicContact SD-CG 4.24Å; M394-P495 HydrophobicContact SD-CB 4.1Å; M394-P495 HydrophobicContact SD-CG 4.13Å
395	H	92.3	Very high	88.3	Confident	51 Å²	51	57.6 Å²	57.6	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-42.8	175.2	-70.1	178.3	0	0	0	112.3	F8 L391 D392 I397 Y398 Q399	F8-H395 AromaticContact CE1-CD2 3.48Å; F8-H395 VanDerWaalsContact CE1-CD2 3.48Å; F8-H395 WeakPolarHBondContact CE1-CD2 3.22Å; F8-H395 AromaticContact CE1-NE2 3.49Å; F8-H395 WeakPolarHBondContact CE1-NE2 3.36Å; F8-H395 AromaticContact CZ-CD2 3.62Å; F8-H395 AromaticContact CZ-NE2 3.39Å; F8-H395 WeakPolarHBondContact CZ-NE2 3.4Å; L391-H395 PolarHBondContact O-N 2.83Å; D392-H395 PolarHBondContact O-N 2.86Å; H395-I397 VanDerWaalsContact C-N 3.34Å; H395-I397 PolarHBondContact O-N 2.82Å; H395-Y398 PolarHBondContact O-N 2.81Å; H395-Q399 WeakPolarHBondContact O-CG 3.28Å; H395-Q399 PolarHBondContact O-N 3.48Å
396	A	88.6	Confident	88.5	Confident	40 Å²	40	60.3 Å²	60.3	33%	0.331	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-36.1	177.1	0	0	0	0	0	113	D392 V393 M394 Q400	D392-A396 PolarHBondContact O-N 2.81Å; V393-A396 PolarHBondContact O-N 2.89Å; M394-A396 VanDerWaalsContact C-N 3.31Å; M394-A396 PolarHBondContact O-N 2.68Å; A396-Q400 WeakPolarHBondContact O-CG 3.1Å; A396-Q400 PolarHBondContact O-N 3.06Å
397	I	88.5	Confident	88.6	Confident	19 Å²	19	63.4 Å²	63.4	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-44.8	174.8	-64	164.2	0	0	0	110	V393 M394 H395 Q399 Q400 N401 F405 E408 L412	V393-I397 HydrophobicContact CG1-CD1 4.06Å; V393-I397 VanDerWaalsContact O-CG1 3.3Å; V393-I397 WeakPolarHBondContact O-CG1 3.43Å; V393-I397 PolarHBondContact O-N 3.37Å; M394-I397 PolarHBondContact O-N 3.02Å; M394-I397 VanDerWaalsContact O-N 3.14Å; H395-I397 VanDerWaalsContact C-N 3.34Å; H395-I397 PolarHBondContact O-N 2.82Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 2.75Å; I397-Q400 PolarHBondContact O-N 2.84Å; I397-N401 PolarHBondContact O-N 3.4Å; I397-F405 HydrophobicContact CB-CD2 4.26Å; I397-F405 HydrophobicContact CB-CE2 4.38Å; I397-F405 HydrophobicContact CG2-CD2 3.92Å; I397-F405 HydrophobicContact CG2-CE2 4.46Å; I397-E408 HydrophobicContact CG2-CB 3.9Å; I397-L412 HydrophobicContact CD1-CD2 3.82Å
398	Y	89.3	Confident	88.8	Confident	53 Å²	53	65.1 Å²	65.1	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-38.7	179.8	-172	-104.4	0	0	0	112.2	F8 M394 H395 Q400 K402 F405	F8-Y398 HydrophobicContact CB-CE2 4.35Å; F8-Y398 HydrophobicContact CD1-CD1 4.5Å; F8-Y398 HydrophobicContact CD1-CE1 4.46Å; F8-Y398 PolarHBondContact O-OH 3.42Å; M394-Y398 WeakPolarHBondContact O-CB 3.46Å; M394-Y398 PolarHBondContact O-N 2.77Å; H395-Y398 PolarHBondContact O-N 2.81Å; Y398-Q400 VanDerWaalsContact C-N 3.31Å; Y398-Q400 PolarHBondContact O-N 3.14Å; Y398-K402 HydrophobicContact CD2-CG 4.45Å; Y398-K402 HydrophobicContact CE2-CD 4.42Å; Y398-K402 HydrophobicContact CE2-CG 3.82Å; Y398-K402 VanDerWaalsContact OH-CE 3.23Å; Y398-K402 WeakPolarHBondContact OH-CE 3.44Å; Y398-F405 HydrophobicContact CD2-CB 4.08Å; Y398-F405 AromaticContact CD2-CD1 3.89Å; Y398-F405 HydrophobicContact CD2-CD1 3.89Å; Y398-F405 AromaticContact CD2-CD2 3.89Å; Y398-F405 HydrophobicContact CD2-CD2 3.89Å; Y398-F405 HydrophobicContact CD2-CE1 4.27Å; Y398-F405 HydrophobicContact CD2-CE2 4.3Å; Y398-F405 AromaticContact CD2-CG 3.67Å; Y398-F405 HydrophobicContact CD2-CG 3.67Å; Y398-F405 HydrophobicContact CD2-CZ 4.47Å; Y398-F405 HydrophobicContact CE2-CD1 4.49Å; Y398-F405 HydrophobicContact CG-CD2 4.32Å
399	Q	89.8	Confident	88.9	Confident	166 Å²	166	63 Å²	63	78%	0.776	31%	0.308	S	S	*	.	H	α-helix	trans	-66.9	-29.4	174.7	-73.1	176	-1	0	0	113.4	H395 I397	H395-Q399 WeakPolarHBondContact O-CG 3.28Å; H395-Q399 PolarHBondContact O-N 3.48Å; I397-Q399 VanDerWaalsContact C-N 3.27Å; I397-Q399 PolarHBondContact O-N 2.75Å
400	Q	86.2	Confident	88.8	Confident	147 Å²	147	65 Å²	65	69%	0.687	32%	0.32	S	S	*	.	H	α-helix	trans	-86.8	-40.1	-178.5	-73.4	171.7	19.4	0	0	112.8	A396 I397 Y398	A396-Q400 WeakPolarHBondContact O-CG 3.1Å; A396-Q400 PolarHBondContact O-N 3.06Å; I397-Q400 PolarHBondContact O-N 2.84Å; Y398-Q400 VanDerWaalsContact C-N 3.31Å; Y398-Q400 PolarHBondContact O-N 3.14Å
401	N	84.6	Confident	88.4	Confident	64 Å²	64	72.4 Å²	72.4	34%	0.342	35%	0.352	S	S	.	.			trans	-149.4	97.5	-176.9	-168.1	-17	0	0	0	110.9	I397 E403 H404 F405	I397-N401 PolarHBondContact O-N 3.4Å; N401-E403 PolarHBondContact OD1-N 3.06Å; N401-H404 PolarHBondContact OD1-N 3.16Å; N401-F405 WeakPolarHBondContact O-CA 3.44Å; N401-F405 PolarHBondContact O-N 3.22Å
402	K	86.2	Confident	88	Confident	146 Å²	146	76.4 Å²	76.4	64%	0.635	37%	0.373	S	S	*	.	S	Bend	trans	-75.3	-34.7	-177.1	-173.7	171.5	174.9	174.6	0	113	Y398	Y398-K402 HydrophobicContact CD2-CG 4.45Å; Y398-K402 HydrophobicContact CE2-CD 4.42Å; Y398-K402 HydrophobicContact CE2-CG 3.82Å; Y398-K402 VanDerWaalsContact OH-CE 3.23Å; Y398-K402 WeakPolarHBondContact OH-CE 3.44Å
403	E	83.9	Confident	87.9	Confident	168 Å²	168	72.7 Å²	72.7	79%	0.785	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-39.1	-174.3	-65.4	-175.1	168.7	0	0	112.3	N401	N401-E403 PolarHBondContact OD1-N 3.06Å
404	H	87.3	Confident	87.8	Confident	98 Å²	98	74.1 Å²	74.1	45%	0.454	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	24.6	179.1	-65.2	-68.1	0	0	0	113.6	N401 Q406 D407 E408	N401-H404 PolarHBondContact OD1-N 3.16Å; H404-Q406 PolarHBondContact O-N 2.95Å; H404-D407 IonicContact ND1-OD2 3.48Å; H404-D407 PolarHBondContact O-N 3.25Å; H404-E408 PolarHBondContact O-N 3.47Å
405	F	89	Confident	87.4	Confident	15 Å²	15	75.7 Å²	75.7	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-53.4	-50.8	-174.4	165.8	-116	0	0	0	113.5	M394 I397 Y398 N401 D407 E408 C409 W434	M394-F405 HydrophobicContact CB-CE2 4.15Å; M394-F405 HydrophobicContact CB-CZ 4.1Å; M394-F405 HydrophobicContact CE-CZ 3.89Å; M394-F405 VanDerWaalsContact O-CE2 3.23Å; M394-F405 WeakPolarHBondContact O-CE2 3.25Å; I397-F405 HydrophobicContact CB-CD2 4.26Å; I397-F405 HydrophobicContact CB-CE2 4.38Å; I397-F405 HydrophobicContact CG2-CD2 3.92Å; I397-F405 HydrophobicContact CG2-CE2 4.46Å; Y398-F405 HydrophobicContact CD2-CB 4.08Å; Y398-F405 AromaticContact CD2-CD1 3.89Å; Y398-F405 HydrophobicContact CD2-CD1 3.89Å; Y398-F405 AromaticContact CD2-CD2 3.89Å; Y398-F405 HydrophobicContact CD2-CD2 3.89Å; Y398-F405 HydrophobicContact CD2-CE1 4.27Å; Y398-F405 HydrophobicContact CD2-CE2 4.3Å; Y398-F405 AromaticContact CD2-CG 3.67Å; Y398-F405 HydrophobicContact CD2-CG 3.67Å; Y398-F405 HydrophobicContact CD2-CZ 4.47Å; Y398-F405 HydrophobicContact CE2-CD1 4.49Å; Y398-F405 HydrophobicContact CG-CD2 4.32Å; N401-F405 WeakPolarHBondContact O-CA 3.44Å; N401-F405 PolarHBondContact O-N 3.22Å; F405-D407 PolarHBondContact O-N 3.43Å; F405-E408 PolarHBondContact O-N 3.06Å; F405-C409 WeakPolarHBondContact CE2-SG 3.49Å; F405-C409 WeakPolarHBondContact O-CB 3.48Å; F405-C409 PolarHBondContact O-N 3.02Å; F405-C409 PolarHBondContact O-SG 3.28Å; F405-W434 HydrophobicContact CD1-CH2 4.49Å; F405-W434 HydrophobicContact CD1-CZ3 4.37Å; F405-W434 AromaticContact CE1-CH2 3.92Å; F405-W434 HydrophobicContact CE1-CH2 3.92Å; F405-W434 AromaticContact CE1-CZ3 3.61Å; F405-W434 HydrophobicContact CE1-CZ3 3.61Å; F405-W434 HydrophobicContact CZ-CH2 4.19Å; F405-W434 HydrophobicContact CZ-CZ3 4.13Å
406	Q	88.9	Confident	87	Confident	56 Å²	56	76 Å²	76	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-40.2	-176.5	-68.3	-179.8	-21.6	0	0	112.2	H404 C409 T410 W434	H404-Q406 PolarHBondContact O-N 2.95Å; Q406-C409 PolarHBondContact O-N 3.29Å; Q406-T410 WeakPolarHBondContact O-CB 3.47Å; Q406-T410 PolarHBondContact O-N 3.02Å; Q406-T410 PolarHBondContact O-OG1 3.21Å; Q406-W434 HydrophobicContact CB-CD2 4.46Å; Q406-W434 HydrophobicContact CB-CH2 4.23Å; Q406-W434 HydrophobicContact CB-CZ2 3.84Å; Q406-W434 HydrophobicContact CG-CD2 3.88Å; Q406-W434 HydrophobicContact CG-CE3 3.92Å; Q406-W434 HydrophobicContact CG-CH2 3.94Å; Q406-W434 HydrophobicContact CG-CZ2 3.92Å; Q406-W434 HydrophobicContact CG-CZ3 3.95Å
407	D	86.8	Confident	87	Confident	106 Å²	106	78 Å²	78	57%	0.567	39%	0.385	S	S	*	.	H	α-helix	trans	-67.2	-45.4	179.9	-63.3	-30.1	0	0	0	111	H404 F405 T410 K411	H404-D407 IonicContact ND1-OD2 3.48Å; H404-D407 PolarHBondContact O-N 3.25Å; F405-D407 PolarHBondContact O-N 3.43Å; D407-T410 PolarHBondContact O-N 3.04Å; D407-K411 VanDerWaalsContact O-CB 3.26Å; D407-K411 WeakPolarHBondContact O-CB 3.36Å; D407-K411 PolarHBondContact O-N 3.38Å
408	E	86.7	Confident	87.1	Confident	76 Å²	76	77.1 Å²	77.1	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-68.3	-36.3	177.7	-73.3	-63.2	130.6	0	0	112	I397 H404 F405 K411 L412	I397-E408 HydrophobicContact CG2-CB 3.9Å; H404-E408 PolarHBondContact O-N 3.47Å; F405-E408 PolarHBondContact O-N 3.06Å; E408-K411 IonicContact OE1-NZ 2.76Å; E408-K411 PolarHBondContact OE1-NZ 2.91Å; E408-L412 VanDerWaalsContact O-CB 3.31Å; E408-L412 WeakPolarHBondContact O-CB 3.49Å; E408-L412 PolarHBondContact O-N 2.91Å
409	C	88.6	Confident	87.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.4	-49.4	169.9	-84.2	0	0	0	0	111.9	F405 Q406 K411 L412 L413 W434	F405-C409 WeakPolarHBondContact CE2-SG 3.49Å; F405-C409 WeakPolarHBondContact O-CB 3.48Å; F405-C409 PolarHBondContact O-N 3.02Å; F405-C409 PolarHBondContact O-SG 3.28Å; Q406-C409 PolarHBondContact O-N 3.29Å; C409-K411 PolarHBondContact O-N 3.5Å; C409-L412 PolarHBondContact O-N 2.89Å; C409-L413 HydrophobicContact CB-CD1 4.3Å; C409-L413 WeakPolarHBondContact O-CB 3.34Å; C409-L413 VanDerWaalsContact O-CG 3.24Å; C409-L413 WeakPolarHBondContact O-CG 3.32Å; C409-L413 PolarHBondContact O-N 3.47Å; C409-W434 HydrophobicContact CB-CH2 3.74Å; C409-W434 HydrophobicContact CB-CZ2 3.9Å
410	T	87.8	Confident	87	Confident	48 Å²	48	66.7 Å²	66.7	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-47.6	-179.3	-58.9	0	0	0	0	110.6	Q406 D407 L412 L413 V414	Q406-T410 WeakPolarHBondContact O-CB 3.47Å; Q406-T410 PolarHBondContact O-N 3.02Å; Q406-T410 PolarHBondContact O-OG1 3.21Å; D407-T410 PolarHBondContact O-N 3.04Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.42Å; T410-L413 PolarHBondContact O-N 3.36Å; T410-V414 HydrophobicContact CG2-CG2 3.83Å; T410-V414 VanDerWaalsContact O-CB 3.26Å; T410-V414 WeakPolarHBondContact O-CB 3.45Å; T410-V414 WeakPolarHBondContact O-CG2 3.07Å; T410-V414 PolarHBondContact O-N 2.83Å
411	K	84.9	Confident	86.8	Confident	155 Å²	155	63.5 Å²	63.5	67%	0.674	32%	0.315	S	S	*	.	H	α-helix	trans	-62.4	-36.6	178.4	-176.8	-179.2	174.8	-171.2	0	113.3	D407 E408 C409	D407-K411 VanDerWaalsContact O-CB 3.26Å; D407-K411 WeakPolarHBondContact O-CB 3.36Å; D407-K411 PolarHBondContact O-N 3.38Å; E408-K411 IonicContact OE1-NZ 2.76Å; E408-K411 PolarHBondContact OE1-NZ 2.91Å; C409-K411 PolarHBondContact O-N 3.5Å
412	L	85.2	Confident	86.7	Confident	94 Å²	94	62.7 Å²	62.7	49%	0.492	31%	0.308	S	S	.	.	H	α-helix	trans	-81.8	-40.1	179.5	-172.5	68.1	0	0	0	112.4	V393 I397 E408 C409 T410 N416	V393-L412 HydrophobicContact CG1-CD2 3.86Å; I397-L412 HydrophobicContact CD1-CD2 3.82Å; E408-L412 VanDerWaalsContact O-CB 3.31Å; E408-L412 WeakPolarHBondContact O-CB 3.49Å; E408-L412 PolarHBondContact O-N 2.91Å; C409-L412 PolarHBondContact O-N 2.89Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 3.42Å; L412-N416 PolarHBondContact O-ND2 3.4Å
413	L	89.2	Confident	86.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-91.2	-40.2	-167.9	-63.6	175	0	0	0	113.4	V390 V393 M394 C409 T410 G415 N416 I429 M500	V390-L413 HydrophobicContact CG1-CD1 3.7Å; V390-L413 HydrophobicContact CG1-CD2 3.95Å; V390-L413 HydrophobicContact CG1-CG 4.46Å; V393-L413 HydrophobicContact CG1-CD2 4.3Å; M394-L413 HydrophobicContact CG-CD1 3.95Å; M394-L413 HydrophobicContact SD-CD1 4.28Å; C409-L413 HydrophobicContact CB-CD1 4.3Å; C409-L413 WeakPolarHBondContact O-CB 3.34Å; C409-L413 VanDerWaalsContact O-CG 3.24Å; C409-L413 WeakPolarHBondContact O-CG 3.32Å; C409-L413 PolarHBondContact O-N 3.47Å; T410-L413 PolarHBondContact O-N 3.36Å; L413-G415 PolarHBondContact O-N 3.21Å; L413-N416 WeakPolarHBondContact O-CB 3.49Å; L413-N416 PolarHBondContact O-N 2.8Å; L413-I429 HydrophobicContact CB-CD1 4.1Å; L413-M500 HydrophobicContact CD2-CE 4.31Å; L413-M500 HydrophobicContact CD2-SD 4.08Å
414	V	88.5	Confident	86.3	Confident	55 Å²	55	51.1 Å²	51.1	33%	0.333	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	133.4	-177	175.9	0	0	0	0	110.4	T410 N416 I429	T410-V414 HydrophobicContact CG2-CG2 3.83Å; T410-V414 VanDerWaalsContact O-CB 3.26Å; T410-V414 WeakPolarHBondContact O-CB 3.45Å; T410-V414 WeakPolarHBondContact O-CG2 3.07Å; T410-V414 PolarHBondContact O-N 2.83Å; V414-N416 VanDerWaalsContact C-N 3.34Å; V414-I429 HydrophobicContact CG2-CG2 4.33Å
415	G	82.3	Confident	86	Confident	32 Å²	32	53.7 Å²	53.7	33%	0.33	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-18	-173.6	0	0	0	0	0	114.4	L413 I429	L413-G415 PolarHBondContact O-N 3.21Å; G415-I429 PolarHBondContact N-O 3.41Å
416	N	85.8	Confident	85.8	Confident	58 Å²	58	55.2 Å²	55.2	31%	0.31	27%	0.274	S	S	.	.			trans	-74.8	154.8	176.6	-71.8	-40.9	0	0	0	112.4	L412 L413 V414 R428 I429 M500	L412-N416 PolarHBondContact O-ND2 3.4Å; L413-N416 WeakPolarHBondContact O-CB 3.49Å; L413-N416 PolarHBondContact O-N 2.8Å; V414-N416 VanDerWaalsContact C-N 3.34Å; N416-R428 WeakPolarHBondContact O-CA 3.33Å; N416-I429 PolarHBondContact O-N 3.08Å; N416-M500 HydrophobicContact CB-CE 4.1Å; N416-M500 WeakPolarHBondContact ND2-CE 3.28Å
417	I	87	Confident	85.7	Confident	82 Å²	82	53.7 Å²	53.7	42%	0.421	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.8	173.9	-59	174.3	0	0	0	108.8	T426 Y427 T501	I417-T426 HydrophobicContact CG2-CG2 4.19Å; I417-Y427 CarbonylContact C-O 3.57Å; I417-Y427 VanDerWaalsContact CA-O 3.29Å; I417-Y427 WeakPolarHBondContact CA-O 3.32Å; I417-T501 WeakPolarHBondContact O-CB 3.45Å; I417-T501 PolarHBondContact O-N 3.24Å; I417-T501 PolarHBondContact O-OG1 3.43Å
418	V	90.9	Very high	85.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	156.4	172.3	-66.3	0	0	0	0	110.8	V390 T426 Y427 I429 F499 M500	V390-V418 HydrophobicContact CG2-CG1 3.58Å; V418-T426 CarbonylContact O-C 3.52Å; V418-T426 WeakPolarHBondContact O-CA 3.44Å; V418-Y427 PolarHBondContact N-O 2.82Å; V418-Y427 PolarHBondContact O-N 3.24Å; V418-I429 HydrophobicContact CG1-CD1 3.62Å; V418-I429 HydrophobicContact CG1-CG1 4.03Å; V418-I429 HydrophobicContact CG2-CG1 4.17Å; V418-F499 CarbonylContact C-O 3.53Å; V418-F499 VanDerWaalsContact CA-O 3.25Å; V418-F499 WeakPolarHBondContact CA-O 3.25Å; V418-F499 WeakPolarHBondContact CB-O 3.46Å; V418-M500 HydrophobicContact CG1-SD 3.97Å
419	I	88.8	Confident	86	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.9	171.1	-169	171.3	0	0	0	109.9	V339 W360 I385 R425 T426 F499 T501	V339-I419 HydrophobicContact CG1-CD1 4.37Å; V339-I419 HydrophobicContact CG2-CD1 4.38Å; W360-I419 HydrophobicContact CH2-CD1 4.06Å; W360-I419 HydrophobicContact CZ3-CD1 3.86Å; I385-I419 HydrophobicContact CD1-CD1 4.03Å; I385-I419 HydrophobicContact CD1-CG2 4.4Å; I385-I419 HydrophobicContact CG1-CG2 4.32Å; I385-I419 HydrophobicContact CG2-CG2 3.96Å; I419-R425 WeakPolarHBondContact CA-O 3.44Å; I419-T426 HydrophobicContact CB-CG2 4.07Å; I419-T426 HydrophobicContact CD1-CG2 4.38Å; I419-T426 HydrophobicContact CG1-CG2 4.1Å; I419-F499 HydrophobicContact CG2-CB 4.04Å; I419-F499 PolarHBondContact N-O 2.75Å; I419-F499 PolarHBondContact O-N 3.32Å; I419-T501 HydrophobicContact CB-CG2 3.66Å; I419-T501 HydrophobicContact CG2-CG2 3.6Å
420	T	89.2	Confident	86	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.9	172.3	43.6	0	0	0	0	109.2	Y422 N423 N424 R425 Y427 L493	T420-Y422 VanDerWaalsContact C-N 3.31Å; T420-Y422 VanDerWaalsContact CB-CE1 3.44Å; T420-Y422 HydrophobicContact CG2-CE1 3.66Å; T420-Y422 WeakPolarHBondContact CG2-OH 3.32Å; T420-Y422 PolarHBondContact O-N 3.04Å; T420-N423 WeakPolarHBondContact CB-OD1 3.28Å; T420-N423 PolarHBondContact O-N 2.95Å; T420-N423 PolarHBondContact O-OD1 2.82Å; T420-N423 VanDerWaalsContact O-OD1 3.12Å; T420-N423 PolarHBondContact OG1-OD1 3.12Å; T420-N424 VanDerWaalsContact O-CA 3.25Å; T420-N424 WeakPolarHBondContact O-CA 3.24Å; T420-N424 PolarHBondContact O-N 2.91Å; T420-R425 PolarHBondContact N-O 2.98Å; T420-R425 PolarHBondContact OG1-O 3.36Å; T420-R425 VanDerWaalsContact OG1-O 3.12Å; T420-Y427 HydrophobicContact CG2-CD2 4.22Å; T420-Y427 HydrophobicContact CG2-CE2 4.07Å; T420-Y427 WeakPolarHBondContact OG1-CE2 3.49Å; T420-L493 HydrophobicContact CG2-CD2 4.46Å
421	R	81.4	Confident	86.2	Confident	81 Å²	81	53.3 Å²	53.3	31%	0.306	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.9	-171.7	-68.5	-178.6	-178.4	-173.1	-3.8	113.5	R386 N387 N423 N424 F499	R386-R421 PolarHBondContact O-NH2 2.84Å; N387-R421 PolarHBondContact OD1-NH2 2.88Å; R421-N423 VanDerWaalsContact C-N 3.26Å; R421-N423 PolarHBondContact O-N 2.78Å; R421-N424 PolarHBondContact O-OD1 2.84Å; R421-F499 HydrophobicContact CB-CE2 4.46Å; R421-F499 HydrophobicContact CG-CD2 3.63Å; R421-F499 HydrophobicContact CG-CE2 3.87Å; R421-F499 HydrophobicContact CG-CG 4.29Å; R421-F499 VanDerWaalsContact CZ-CE1 3.49Å
422	Y	82.6	Confident	86.6	Confident	47 Å²	47	46.2 Å²	46.2	18%	0.184	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.8	-178.5	59.1	-100.7	0	0	0	114.2	T420 Y456 Y460 I462 L497	T420-Y422 VanDerWaalsContact C-N 3.31Å; T420-Y422 VanDerWaalsContact CB-CE1 3.44Å; T420-Y422 HydrophobicContact CG2-CE1 3.66Å; T420-Y422 WeakPolarHBondContact CG2-OH 3.32Å; T420-Y422 PolarHBondContact O-N 3.04Å; Y422-Y456 HydrophobicContact CD1-CE1 4.38Å; Y422-Y456 HydrophobicContact CE1-CD1 4.5Å; Y422-Y456 AromaticContact CE1-CE1 3.73Å; Y422-Y456 HydrophobicContact CE1-CE1 3.73Å; Y422-Y456 AromaticContact CE2-CE1 3.92Å; Y422-Y456 HydrophobicContact CE2-CE1 3.92Å; Y422-Y456 AromaticContact CZ-CE1 3.49Å; Y422-Y456 VanDerWaalsContact CZ-CE1 3.49Å; Y422-Y456 PolarHBondContact OH-OH 3.45Å; Y422-Y456 VanDerWaalsContact OH-OH 3.12Å; Y422-Y460 AromaticContact CD2-CD1 3.86Å; Y422-Y460 HydrophobicContact CD2-CD1 3.86Å; Y422-Y460 HydrophobicContact CD2-CD2 4.13Å; Y422-Y460 AromaticContact CD2-CE1 3.66Å; Y422-Y460 HydrophobicContact CD2-CE1 3.66Å; Y422-Y460 AromaticContact CD2-CE2 3.91Å; Y422-Y460 HydrophobicContact CD2-CE2 3.91Å; Y422-Y460 HydrophobicContact CD2-CG 4.1Å; Y422-Y460 AromaticContact CD2-CZ 3.68Å; Y422-Y460 HydrophobicContact CE2-CD2 4.45Å; Y422-Y460 HydrophobicContact CE2-CE1 4.32Å; Y422-Y460 AromaticContact CE2-CE2 3.94Å; Y422-Y460 HydrophobicContact CE2-CE2 3.94Å; Y422-Y460 AromaticContact CE2-CZ 3.87Å; Y422-Y460 HydrophobicContact CG-CD1 4.42Å; Y422-Y460 HydrophobicContact CG-CG 4.49Å; Y422-I462 HydrophobicContact CD1-CD1 4.26Å; Y422-I462 HydrophobicContact CG-CD1 4.16Å; Y422-L497 HydrophobicContact CD1-CB 4.05Å; Y422-L497 HydrophobicContact CD1-CD1 4.16Å; Y422-L497 HydrophobicContact CE1-CB 3.75Å; Y422-L497 HydrophobicContact CE1-CD1 4.04Å
423	N	80.9	Confident	86.9	Confident	40 Å²	40	43.1 Å²	43.1	21%	0.214	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	1	177.2	65.4	12.7	0	0	0	113.7	T420 R421 R425	T420-N423 WeakPolarHBondContact CB-OD1 3.28Å; T420-N423 PolarHBondContact O-N 2.95Å; T420-N423 PolarHBondContact O-OD1 2.82Å; T420-N423 VanDerWaalsContact O-OD1 3.12Å; T420-N423 PolarHBondContact OG1-OD1 3.12Å; R421-N423 VanDerWaalsContact C-N 3.26Å; R421-N423 PolarHBondContact O-N 2.78Å; N423-R425 HydrophobicContact CB-CG 4.32Å; N423-R425 PolarHBondContact O-N 2.98Å; N423-R425 VanDerWaalsContact O-N 3.16Å; N423-R425 WeakPolarHBondContact OD1-CB 3.4Å; N423-R425 PolarHBondContact OD1-N 3.35Å
424	N	79.9	Confident	87.1	Confident	30 Å²	30	45.9 Å²	45.9	16%	0.16	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	27	-176.1	-58.7	-58.9	0	0	0	114.7	K337 W360 T420 R421	K337-N424 HydrophobicContact CB-CB 4.33Å; W360-N424 VanDerWaalsContact CH2-OD1 3.3Å; W360-N424 WeakPolarHBondContact CH2-OD1 3.5Å; T420-N424 VanDerWaalsContact O-CA 3.25Å; T420-N424 WeakPolarHBondContact O-CA 3.24Å; T420-N424 PolarHBondContact O-N 2.91Å; R421-N424 PolarHBondContact O-OD1 2.84Å
425	R	81.6	Confident	87.3	Confident	153 Å²	153	50.4 Å²	50.4	58%	0.577	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.9	177.2	-66.3	-174.9	176.7	-176.9	2	110.8	I419 T420 N423 Y427	I419-R425 WeakPolarHBondContact CA-O 3.44Å; T420-R425 PolarHBondContact N-O 2.98Å; T420-R425 PolarHBondContact OG1-O 3.36Å; T420-R425 VanDerWaalsContact OG1-O 3.12Å; N423-R425 HydrophobicContact CB-CG 4.32Å; N423-R425 PolarHBondContact O-N 2.98Å; N423-R425 VanDerWaalsContact O-N 3.16Å; N423-R425 WeakPolarHBondContact OD1-CB 3.4Å; N423-R425 PolarHBondContact OD1-N 3.35Å; R425-Y427 HydrophobicContact CB-CE2 3.64Å; R425-Y427 WeakPolarHBondContact CD-OH 3.33Å
426	T	84.9	Confident	87.8	Confident	46 Å²	46	52.7 Å²	52.7	28%	0.282	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.3	174.7	53.2	0	0	0	0	111	V339 I417 V418 I419	V339-T426 HydrophobicContact CG1-CG2 3.57Å; I417-T426 HydrophobicContact CG2-CG2 4.19Å; V418-T426 CarbonylContact O-C 3.52Å; V418-T426 WeakPolarHBondContact O-CA 3.44Å; I419-T426 HydrophobicContact CB-CG2 4.07Å; I419-T426 HydrophobicContact CD1-CG2 4.38Å; I419-T426 HydrophobicContact CG1-CG2 4.1Å
427	Y	87.7	Confident	88.2	Confident	24 Å²	24	51.5 Å²	51.5	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146	179	-57	-81.9	0	0	0	109.7	I417 V418 T420 R425 H474 I491 L493	I417-Y427 CarbonylContact C-O 3.57Å; I417-Y427 VanDerWaalsContact CA-O 3.29Å; I417-Y427 WeakPolarHBondContact CA-O 3.32Å; V418-Y427 PolarHBondContact N-O 2.82Å; V418-Y427 PolarHBondContact O-N 3.24Å; T420-Y427 HydrophobicContact CG2-CD2 4.22Å; T420-Y427 HydrophobicContact CG2-CE2 4.07Å; T420-Y427 WeakPolarHBondContact OG1-CE2 3.49Å; R425-Y427 HydrophobicContact CB-CE2 3.64Å; R425-Y427 WeakPolarHBondContact CD-OH 3.33Å; Y427-H474 HydrophobicContact CD1-CB 4.44Å; Y427-H474 AromaticContact CD1-CD2 3.62Å; Y427-I491 HydrophobicContact CE1-CD1 4.26Å; Y427-I491 HydrophobicContact CE1-CG2 4.36Å; Y427-L493 HydrophobicContact CD1-CD1 4.22Å; Y427-L493 HydrophobicContact CD2-CD1 3.42Å; Y427-L493 VanDerWaalsContact CD2-CD1 3.42Å; Y427-L493 HydrophobicContact CD2-CD2 4.05Å; Y427-L493 HydrophobicContact CD2-CG 4.4Å; Y427-L493 HydrophobicContact CE2-CD1 4.13Å; Y427-L493 HydrophobicContact CE2-CD2 3.88Å; Y427-L493 HydrophobicContact CG-CD1 3.45Å; Y427-L493 VanDerWaalsContact CG-CD1 3.45Å; Y427-L493 HydrophobicContact CG-CD2 4.5Å
428	R	88.3	Confident	88.5	Confident	126 Å²	126	47.6 Å²	47.6	48%	0.475	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.1	168.6	177.8	-179.9	169.8	160.5	1.7	107.3	N416 D430 H474	N416-R428 WeakPolarHBondContact O-CA 3.33Å; R428-D430 IonicContact NE-OD1 2.69Å; R428-D430 PolarHBondContact NE-OD1 2.98Å; R428-D430 PolarHBondContact O-N 3.36Å; R428-H474 WeakPolarHBondContact O-CB 3.35Å; R428-H474 PolarHBondContact O-ND1 3.35Å
429	I	90.8	Very high	88.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	24%	0.237	C	C	.	.			trans	-72.8	113	171.7	-56.8	175.2	0	0	0	106.7	V390 L413 V414 G415 N416 V418 D431 V432 L472	V390-I429 HydrophobicContact CG2-CD1 4.44Å; L413-I429 HydrophobicContact CB-CD1 4.1Å; V414-I429 HydrophobicContact CG2-CG2 4.33Å; G415-I429 PolarHBondContact N-O 3.41Å; N416-I429 PolarHBondContact O-N 3.08Å; V418-I429 HydrophobicContact CG1-CD1 3.62Å; V418-I429 HydrophobicContact CG1-CG1 4.03Å; V418-I429 HydrophobicContact CG2-CG1 4.17Å; I429-D431 WeakPolarHBondContact CG2-O 3.32Å; I429-V432 HydrophobicContact CG2-CG2 4.47Å; I429-L472 HydrophobicContact CD1-CD1 4.02Å; I429-L472 HydrophobicContact CD1-CD2 4.3Å; I429-L472 HydrophobicContact CG1-CD1 4.28Å; I429-L472 HydrophobicContact CG2-CD2 4.44Å
430	D	88.4	Confident	88.8	Confident	40 Å²	40	55 Å²	55	21%	0.214	25%	0.253	C	S	.	.			trans	-96.9	-21.5	176.1	-61.4	-57	0	0	0	111.2	R428 I473 H474 R475	R428-D430 IonicContact NE-OD1 2.69Å; R428-D430 PolarHBondContact NE-OD1 2.98Å; R428-D430 PolarHBondContact O-N 3.36Å; D430-I473 PolarHBondContact N-O 3.41Å; D430-H474 IonicContact OD2-CE1 3.59Å; D430-H474 IonicContact OD2-CG 3.44Å; D430-H474 IonicContact OD2-ND1 3.36Å; D430-H474 PolarHBondContact OD2-ND1 3.11Å; D430-H474 VanDerWaalsContact OD2-ND1 3.11Å; D430-R475 HydrophobicContact CB-CB 4.42Å; D430-R475 HydrophobicContact CB-CG 4.33Å; D430-R475 PolarHBondContact OD2-N 3.01Å
431	D	91.4	Very high	88.9	Confident	56 Å²	56	57.9 Å²	57.9	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	174.3	176.4	-139	-26.1	0	0	0	112.1	I429 I473 R475	I429-D431 WeakPolarHBondContact CG2-O 3.32Å; D431-I473 HydrophobicContact CB-CB 3.8Å; D431-I473 HydrophobicContact CB-CD1 3.89Å; D431-I473 HydrophobicContact CB-CG1 3.97Å; D431-I473 PolarHBondContact N-O 3.43Å; D431-I473 PolarHBondContact O-N 3.39Å; D431-R475 IonicContact OD2-CZ 3.2Å; D431-R475 IonicContact OD2-NH1 3.87Å; D431-R475 IonicContact OD2-NH2 3.64Å; D431-R475 PolarHBondContact OD2-NH2 3.43Å
432	V	92.9	Very high	89.2	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.5	167.7	-175.9	0	0	0	0	109	I429 W434 P470 L471 L472	I429-V432 HydrophobicContact CG2-CG2 4.47Å; V432-W434 HydrophobicContact CB-CZ2 4.12Å; V432-W434 HydrophobicContact CG1-CD2 3.98Å; V432-W434 HydrophobicContact CG1-CE3 4.35Å; V432-W434 HydrophobicContact CG1-CH2 4.21Å; V432-W434 HydrophobicContact CG1-CZ2 3.8Å; V432-W434 HydrophobicContact CG1-CZ3 4.46Å; V432-W434 VanDerWaalsContact O-CD1 3.26Å; V432-W434 PolarHBondContact O-N 3.25Å; V432-W434 PolarHBondContact O-NE1 3.16Å; V432-P470 HydrophobicContact CG1-CB 4.05Å; V432-P470 HydrophobicContact CG1-CG 4.25Å; V432-L471 CarbonylContact C-O 3.54Å; V432-L472 HydrophobicContact CG1-CD2 4.5Å; V432-L472 HydrophobicContact CG2-CD2 3.98Å
433	D	92.9	Very high	89.2	Confident	29 Å²	29	58.6 Å²	58.6	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	104.9	172.8	-163.8	-21.5	0	0	0	109.6	N435 K436 P470 L471 I473	D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact OD1-N 3.37Å; D433-K436 PolarHBondContact OD1-N 2.99Å; D433-K436 VanDerWaalsContact OD2-CD 3.26Å; D433-K436 WeakPolarHBondContact OD2-CD 3.36Å; D433-K436 WeakPolarHBondContact OD2-CE 3.39Å; D433-K436 WeakPolarHBondContact OD2-CG 3.08Å; D433-P470 VanDerWaalsContact O-CB 3.3Å; D433-P470 WeakPolarHBondContact O-CB 3.36Å; D433-L471 HydrophobicContact CB-CB 4.45Å; D433-L471 PolarHBondContact N-O 3.13Å; D433-L471 PolarHBondContact O-N 2.93Å; D433-I473 HydrophobicContact CB-CD1 3.87Å; D433-I473 HydrophobicContact CB-CG1 3.95Å
434	W	92.6	Very high	88.8	Confident	58 Å²	58	58.7 Å²	58.7	22%	0.22	29%	0.287	C	S	.	.	S	Bend	trans	-83	-10.6	179	-58.6	98.7	0	0	0	113.7	M394 F405 Q406 C409 V432 P470	M394-W434 HydrophobicContact CE-CH2 3.46Å; M394-W434 VanDerWaalsContact CE-CH2 3.46Å; M394-W434 HydrophobicContact CE-CZ3 3.48Å; M394-W434 VanDerWaalsContact CE-CZ3 3.48Å; F405-W434 HydrophobicContact CD1-CH2 4.49Å; F405-W434 HydrophobicContact CD1-CZ3 4.37Å; F405-W434 AromaticContact CE1-CH2 3.92Å; F405-W434 HydrophobicContact CE1-CH2 3.92Å; F405-W434 AromaticContact CE1-CZ3 3.61Å; F405-W434 HydrophobicContact CE1-CZ3 3.61Å; F405-W434 HydrophobicContact CZ-CH2 4.19Å; F405-W434 HydrophobicContact CZ-CZ3 4.13Å; Q406-W434 HydrophobicContact CB-CD2 4.46Å; Q406-W434 HydrophobicContact CB-CH2 4.23Å; Q406-W434 HydrophobicContact CB-CZ2 3.84Å; Q406-W434 HydrophobicContact CG-CD2 3.88Å; Q406-W434 HydrophobicContact CG-CE3 3.92Å; Q406-W434 HydrophobicContact CG-CH2 3.94Å; Q406-W434 HydrophobicContact CG-CZ2 3.92Å; Q406-W434 HydrophobicContact CG-CZ3 3.95Å; C409-W434 HydrophobicContact CB-CH2 3.74Å; C409-W434 HydrophobicContact CB-CZ2 3.9Å; V432-W434 HydrophobicContact CB-CZ2 4.12Å; V432-W434 HydrophobicContact CG1-CD2 3.98Å; V432-W434 HydrophobicContact CG1-CE3 4.35Å; V432-W434 HydrophobicContact CG1-CH2 4.21Å; V432-W434 HydrophobicContact CG1-CZ2 3.8Å; V432-W434 HydrophobicContact CG1-CZ3 4.46Å; V432-W434 VanDerWaalsContact O-CD1 3.26Å; V432-W434 PolarHBondContact O-N 3.25Å; V432-W434 PolarHBondContact O-NE1 3.16Å; W434-P470 HydrophobicContact CD2-CB 4.45Å; W434-P470 HydrophobicContact CE3-CB 3.82Å; W434-P470 HydrophobicContact CE3-CG 3.84Å; W434-P470 HydrophobicContact CZ3-CB 4.26Å; W434-P470 HydrophobicContact CZ3-CG 3.76Å
435	N	92.9	Very high	88.2	Confident	151 Å²	151	63.9 Å²	63.9	81%	0.807	33%	0.325	S	S	*	.	S	Bend	trans	-96.5	-12.9	-176.2	-61.4	-35.5	0	0	0	112.4	D433	D433-N435 VanDerWaalsContact C-N 3.33Å; D433-N435 PolarHBondContact OD1-N 3.37Å
436	K	92.1	Very high	87.7	Confident	79 Å²	79	60.9 Å²	60.9	34%	0.343	32%	0.321	S	S	.	.			trans	-108	150.6	176.9	-66.5	-172.3	-174.6	-174.3	0	112.1	D433 D440 P470 L471 L492	D433-K436 PolarHBondContact OD1-N 2.99Å; D433-K436 VanDerWaalsContact OD2-CD 3.26Å; D433-K436 WeakPolarHBondContact OD2-CD 3.36Å; D433-K436 WeakPolarHBondContact OD2-CE 3.39Å; D433-K436 WeakPolarHBondContact OD2-CG 3.08Å; K436-D440 VanDerWaalsContact CA-OD2 3.27Å; K436-D440 WeakPolarHBondContact CA-OD2 3.36Å; K436-P470 WeakPolarHBondContact O-CA 3.47Å; K436-L471 HydrophobicContact CB-CD1 3.67Å; K436-L471 HydrophobicContact CB-CG 4.12Å; K436-L471 HydrophobicContact CD-CD1 4.43Å; K436-L492 HydrophobicContact CD-CD1 3.91Å
437	T	94.1	Very high	87.2	Confident	34 Å²	34	61.3 Å²	61.3	21%	0.209	33%	0.334	C	S	.	.			trans	-132	164.9	-179	64.2	0	0	0	0	110.1	K439 D440	T437-K439 PolarHBondContact O-N 3.18Å; T437-K439 PolarHBondContact OG1-N 3.42Å; T437-D440 PolarHBondContact N-OD2 3.14Å; T437-D440 WeakPolarHBondContact O-CB 3.47Å; T437-D440 PolarHBondContact O-N 3.36Å; T437-D440 PolarHBondContact OG1-OD2 3.02Å
438	P	94.3	Very high	86.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-23	169.8	-30.9	31.4	0	0	0	115.8	D440 F452 L453 I464 E467 Q469 L494	P438-D440 VanDerWaalsContact C-N 3.31Å; P438-F452 WeakPolarHBondContact O-CB 3.45Å; P438-F452 PolarHBondContact O-N 2.77Å; P438-L453 HydrophobicContact CB-CD2 3.77Å; P438-L453 HydrophobicContact CB-CG 4Å; P438-L453 WeakPolarHBondContact O-CG 3.48Å; P438-L453 PolarHBondContact O-N 3.16Å; P438-I464 HydrophobicContact CB-CG2 4.42Å; P438-I464 HydrophobicContact CG-CG2 4.27Å; P438-E467 VanDerWaalsContact CD-O 3.26Å; P438-E467 WeakPolarHBondContact CD-O 3.27Å; P438-Q469 WeakPolarHBondContact CD-O 3.4Å; P438-Q469 HydrophobicContact CG-CG 3.69Å; P438-L494 HydrophobicContact CB-CD2 4.23Å; P438-L494 HydrophobicContact CG-CD2 3.99Å; P438-L494 HydrophobicContact CG-CG 4.24Å
439	K	93.5	Very high	86.7	Confident	93 Å²	93	67.4 Å²	67.4	40%	0.404	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.7	179.4	-64.7	170.8	-179.7	156.6	0	113.1	T437 T451 L453 E467 D468	T437-K439 PolarHBondContact O-N 3.18Å; T437-K439 PolarHBondContact OG1-N 3.42Å; K439-T451 WeakPolarHBondContact O-CG2 3.13Å; K439-L453 HydrophobicContact CG-CD1 4.13Å; K439-E467 WeakPolarHBondContact CE-OE2 3.37Å; K439-E467 HydrophobicContact CG-CB 4.49Å; K439-E467 IonicContact NZ-OE2 3.81Å; K439-D468 IonicContact NZ-OD1 3.96Å; K439-D468 PolarHBondContact NZ-OD1 3.17Å
440	D	93.3	Very high	86.6	Confident	61 Å²	61	68.1 Å²	68.1	33%	0.326	37%	0.37	S	S	.	.	S	Bend	trans	-71.4	152.7	-179.1	-66.4	-63	0	0	0	112.3	K436 T437 P438 T451 F452	K436-D440 VanDerWaalsContact CA-OD2 3.27Å; K436-D440 WeakPolarHBondContact CA-OD2 3.36Å; T437-D440 PolarHBondContact N-OD2 3.14Å; T437-D440 WeakPolarHBondContact O-CB 3.47Å; T437-D440 PolarHBondContact O-N 3.36Å; T437-D440 PolarHBondContact OG1-OD2 3.02Å; P438-D440 VanDerWaalsContact C-N 3.31Å; D440-T451 WeakPolarHBondContact O-CA 3.46Å; D440-F452 WeakPolarHBondContact O-CD2 3.44Å; D440-F452 PolarHBondContact O-N 2.92Å
441	S	90.8	Very high	86.8	Confident	61 Å²	61	67.9 Å²	67.9	43%	0.427	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	155.8	178.8	63	0	0	0	0	113.2	I450	S441-I450 CarbonylContact C-O 3.53Å; S441-I450 VanDerWaalsContact CA-O 3.27Å; S441-I450 WeakPolarHBondContact CA-O 3.44Å
442	F	86.9	Confident	86.8	Confident	57 Å²	57	65.7 Å²	65.7	25%	0.25	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	167.6	72.8	-80.5	0	0	0	110.4	M444 E449 I450 F452 Y455	F442-M444 HydrophobicContact CE2-CG 4.22Å; F442-E449 WeakPolarHBondContact O-CA 3.48Å; F442-I450 HydrophobicContact CD1-CG2 4.25Å; F442-I450 WeakPolarHBondContact CD1-O 3.47Å; F442-I450 HydrophobicContact CE1-CG2 3.74Å; F442-I450 HydrophobicContact CE2-CG2 4.36Å; F442-I450 HydrophobicContact CZ-CG2 3.81Å; F442-I450 PolarHBondContact N-O 3.1Å; F442-I450 PolarHBondContact O-N 3.47Å; F442-F452 HydrophobicContact CB-CZ 4.37Å; F442-F452 AromaticContact CD1-CD1 3.93Å; F442-F452 HydrophobicContact CD1-CD1 3.93Å; F442-F452 AromaticContact CD1-CE1 3.69Å; F442-F452 HydrophobicContact CD1-CE1 3.69Å; F442-F452 HydrophobicContact CD1-CE2 4.3Å; F442-F452 HydrophobicContact CD1-CG 4.34Å; F442-F452 AromaticContact CD1-CZ 3.88Å; F442-F452 HydrophobicContact CD1-CZ 3.88Å; F442-F452 AromaticContact CE1-CD1 3.88Å; F442-F452 HydrophobicContact CE1-CD1 3.88Å; F442-F452 AromaticContact CE1-CE1 3.98Å; F442-F452 HydrophobicContact CE1-CE1 3.98Å; F442-F452 HydrophobicContact CE1-CG 4.44Å; F442-F452 HydrophobicContact CG-CE1 4.35Å; F442-F452 HydrophobicContact CG-CZ 4.35Å; F442-Y455 HydrophobicContact CE1-CD1 4.47Å; F442-Y455 HydrophobicContact CE1-CG 4.06Å; F442-Y455 HydrophobicContact CZ-CD1 4.19Å; F442-Y455 AromaticContact CZ-CD2 3.83Å; F442-Y455 HydrophobicContact CZ-CD2 3.83Å; F442-Y455 HydrophobicContact CZ-CE2 4.2Å; F442-Y455 AromaticContact CZ-CG 3.77Å; F442-Y455 HydrophobicContact CZ-CG 3.77Å
443	T	82.9	Confident	86.7	Confident	86 Å²	86	67.5 Å²	67.5	53%	0.528	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124	179.2	-38.4	0	0	0	0	110.5
444	M	71.9	Confident	86.3	Confident	43 Å²	43	70.3 Å²	70.3	21%	0.212	38%	0.379	C	S	.	.			trans	-73.3	167.9	171.7	-81.2	-162.9	172	0	0	112.3	F442 D446 G447 K448 I450 Y455	F442-M444 HydrophobicContact CE2-CG 4.22Å; M444-D446 WeakPolarHBondContact CB-OD1 3.49Å; M444-D446 PolarHBondContact O-N 2.89Å; M444-G447 PolarHBondContact O-N 3.39Å; M444-K448 PolarHBondContact N-O 3.17Å; M444-I450 HydrophobicContact CE-CD1 3.86Å; M444-I450 HydrophobicContact CE-CG2 3.75Å; M444-I450 HydrophobicContact CG-CG2 3.79Å; M444-I450 HydrophobicContact SD-CG2 4.29Å; M444-Y455 HydrophobicContact CE-CD2 3.21Å; M444-Y455 HydrophobicContact CE-CE2 3.56Å; M444-Y455 HydrophobicContact CE-CG 4.4Å
445	S	68.6	Low	86	Confident	138 Å²	138	69.9 Å²	69.9	97%	0.965	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	177.2	52.4	0	0	0	0	114.5	G447	S445-G447 VanDerWaalsContact C-N 3.28Å
446	D	69.7	Low	85.7	Confident	91 Å²	91	63 Å²	63	49%	0.487	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.4	174.9	67.1	-10.9	0	0	0	112.8	M444 K448	M444-D446 WeakPolarHBondContact CB-OD1 3.49Å; M444-D446 PolarHBondContact O-N 2.89Å; D446-K448 VanDerWaalsContact C-N 3.31Å; D446-K448 WeakPolarHBondContact OD1-CB 3.43Å; D446-K448 PolarHBondContact OD1-N 3.03Å; D446-K448 VanDerWaalsContact OD1-N 3.1Å; D446-K448 WeakPolarHBondContact OD2-CD 3.39Å
447	G	74.4	Confident	85.4	Confident	54 Å²	54	62.1 Å²	62.1	56%	0.557	35%	0.345	S	S	*	.	S	Bend	trans	83	-0.9	-179.8	0	0	0	0	0	114.5	M444 S445	M444-G447 PolarHBondContact O-N 3.39Å; S445-G447 VanDerWaalsContact C-N 3.28Å
448	K	80.5	Confident	84.8	Confident	141 Å²	141	67.2 Å²	67.2	61%	0.613	36%	0.364	S	S	*	.			trans	-81.8	140.4	178.6	-63.8	-177.6	-174	169.3	0	111.2	M444 D446	M444-K448 PolarHBondContact N-O 3.17Å; D446-K448 VanDerWaalsContact C-N 3.31Å; D446-K448 WeakPolarHBondContact OD1-CB 3.43Å; D446-K448 PolarHBondContact OD1-N 3.03Å; D446-K448 VanDerWaalsContact OD1-N 3.1Å; D446-K448 WeakPolarHBondContact OD2-CD 3.39Å
449	E	87	Confident	84.1	Confident	138 Å²	138	71.4 Å²	71.4	65%	0.645	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.1	169	-69.7	-162	170.6	0	0	111.2	F442	F442-E449 WeakPolarHBondContact O-CA 3.48Å
450	I	88.4	Confident	83.5	Confident	16 Å²	16	71 Å²	71	8%	0.082	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.8	177.6	-167.7	172.6	0	0	0	109.4	S441 F442 M444 E454 K458	S441-I450 CarbonylContact C-O 3.53Å; S441-I450 VanDerWaalsContact CA-O 3.27Å; S441-I450 WeakPolarHBondContact CA-O 3.44Å; F442-I450 HydrophobicContact CD1-CG2 4.25Å; F442-I450 WeakPolarHBondContact CD1-O 3.47Å; F442-I450 HydrophobicContact CE1-CG2 3.74Å; F442-I450 HydrophobicContact CE2-CG2 4.36Å; F442-I450 HydrophobicContact CZ-CG2 3.81Å; F442-I450 PolarHBondContact N-O 3.1Å; F442-I450 PolarHBondContact O-N 3.47Å; M444-I450 HydrophobicContact CE-CD1 3.86Å; M444-I450 HydrophobicContact CE-CG2 3.75Å; M444-I450 HydrophobicContact CG-CG2 3.79Å; M444-I450 HydrophobicContact SD-CG2 4.29Å; I450-E454 HydrophobicContact CD1-CB 3.97Å; I450-E454 HydrophobicContact CG1-CB 3.64Å; I450-K458 HydrophobicContact CD1-CD 4.13Å
451	T	92.4	Very high	83.1	Confident	35 Å²	35	71.2 Å²	71.2	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	158	172.5	63.5	0	0	0	0	111.2	K439 D440 L453 E454 Y455	K439-T451 WeakPolarHBondContact O-CG2 3.13Å; D440-T451 WeakPolarHBondContact O-CA 3.46Å; T451-L453 VanDerWaalsContact C-N 3.3Å; T451-L453 PolarHBondContact O-N 3.1Å; T451-E454 PolarHBondContact O-N 3.47Å; T451-E454 WeakPolarHBondContact OG1-CB 3.33Å; T451-E454 WeakPolarHBondContact OG1-CG 3.38Å; T451-E454 PolarHBondContact OG1-N 2.81Å; T451-Y455 WeakPolarHBondContact O-CB 3.44Å; T451-Y455 PolarHBondContact O-N 3.11Å
452	F	89.8	Confident	83	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-39.7	174.6	-64.7	-82.2	0	0	0	111.7	P438 D440 F442 E454 Y455 Y456 L471 L492 L494	P438-F452 WeakPolarHBondContact O-CB 3.45Å; P438-F452 PolarHBondContact O-N 2.77Å; D440-F452 WeakPolarHBondContact O-CD2 3.44Å; D440-F452 PolarHBondContact O-N 2.92Å; F442-F452 HydrophobicContact CB-CZ 4.37Å; F442-F452 AromaticContact CD1-CD1 3.93Å; F442-F452 HydrophobicContact CD1-CD1 3.93Å; F442-F452 AromaticContact CD1-CE1 3.69Å; F442-F452 HydrophobicContact CD1-CE1 3.69Å; F442-F452 HydrophobicContact CD1-CE2 4.3Å; F442-F452 HydrophobicContact CD1-CG 4.34Å; F442-F452 AromaticContact CD1-CZ 3.88Å; F442-F452 HydrophobicContact CD1-CZ 3.88Å; F442-F452 AromaticContact CE1-CD1 3.88Å; F442-F452 HydrophobicContact CE1-CD1 3.88Å; F442-F452 AromaticContact CE1-CE1 3.98Å; F442-F452 HydrophobicContact CE1-CE1 3.98Å; F442-F452 HydrophobicContact CE1-CG 4.44Å; F442-F452 HydrophobicContact CG-CE1 4.35Å; F442-F452 HydrophobicContact CG-CZ 4.35Å; F452-E454 PolarHBondContact O-N 3.24Å; F452-Y455 WeakPolarHBondContact O-CB 3.5Å; F452-Y455 PolarHBondContact O-N 2.91Å; F452-Y456 HydrophobicContact CB-CD2 4.43Å; F452-Y456 HydrophobicContact CB-CE2 4.44Å; F452-Y456 HydrophobicContact CD1-CE2 4.34Å; F452-Y456 WeakPolarHBondContact O-CD2 3.42Å; F452-Y456 PolarHBondContact O-N 2.93Å; F452-L471 HydrophobicContact CD2-CD1 3.91Å; F452-L471 HydrophobicContact CE1-CD1 4.43Å; F452-L471 HydrophobicContact CE2-CD1 3.41Å; F452-L471 VanDerWaalsContact CE2-CD1 3.41Å; F452-L471 HydrophobicContact CZ-CD1 3.72Å; F452-L492 HydrophobicContact CE1-CB 3.94Å; F452-L492 HydrophobicContact CZ-CB 3.8Å; F452-L492 HydrophobicContact CZ-CD1 3.78Å; F452-L492 HydrophobicContact CZ-CG 4.44Å; F452-L494 HydrophobicContact CB-CD1 4.1Å; F452-L494 HydrophobicContact CD1-CD1 4.11Å; F452-L494 HydrophobicContact CG-CD1 4.24Å
453	L	91.1	Very high	83.3	Confident	43 Å²	43	73.2 Å²	73.2	23%	0.225	41%	0.412	C	S	.	.	H	α-helix	trans	-54.1	-51.5	175.2	-67.4	175.3	0	0	0	111.8	P438 K439 T451 S457 I464 E467	P438-L453 HydrophobicContact CB-CD2 3.77Å; P438-L453 HydrophobicContact CB-CG 4Å; P438-L453 WeakPolarHBondContact O-CG 3.48Å; P438-L453 PolarHBondContact O-N 3.16Å; K439-L453 HydrophobicContact CG-CD1 4.13Å; T451-L453 VanDerWaalsContact C-N 3.3Å; T451-L453 PolarHBondContact O-N 3.1Å; L453-S457 WeakPolarHBondContact O-CB 3.15Å; L453-S457 PolarHBondContact O-N 3.12Å; L453-S457 VanDerWaalsContact O-N 3.11Å; L453-I464 HydrophobicContact CD2-CB 3.56Å; L453-I464 HydrophobicContact CD2-CG1 3.79Å; L453-I464 HydrophobicContact CD2-CG2 4.09Å; L453-E467 HydrophobicContact CD2-CG 4.49Å
454	E	85.7	Confident	83.7	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-37.7	179.2	-75.6	-174.5	-149.3	0	0	112.5	I450 T451 F452 S457 K458	I450-E454 HydrophobicContact CD1-CB 3.97Å; I450-E454 HydrophobicContact CG1-CB 3.64Å; T451-E454 PolarHBondContact O-N 3.47Å; T451-E454 WeakPolarHBondContact OG1-CB 3.33Å; T451-E454 WeakPolarHBondContact OG1-CG 3.38Å; T451-E454 PolarHBondContact OG1-N 2.81Å; F452-E454 PolarHBondContact O-N 3.24Å; E454-S457 PolarHBondContact O-N 3.22Å; E454-K458 VanDerWaalsContact O-CB 3.25Å; E454-K458 WeakPolarHBondContact O-CB 3.3Å; E454-K458 WeakPolarHBondContact O-CG 3.48Å; E454-K458 PolarHBondContact O-N 2.84Å; E454-K458 IonicContact OE2-NZ 2.73Å; E454-K458 PolarHBondContact OE2-NZ 3.12Å
455	Y	86.1	Confident	84.7	Confident	50 Å²	50	76 Å²	76	20%	0.196	42%	0.416	C	S	.	.	H	α-helix	trans	-59.5	-51.7	178	174.2	-109.5	0	0	0	111.9	F442 M444 T451 F452 S457 N459 Y460	F442-Y455 HydrophobicContact CE1-CD1 4.47Å; F442-Y455 HydrophobicContact CE1-CG 4.06Å; F442-Y455 HydrophobicContact CZ-CD1 4.19Å; F442-Y455 AromaticContact CZ-CD2 3.83Å; F442-Y455 HydrophobicContact CZ-CD2 3.83Å; F442-Y455 HydrophobicContact CZ-CE2 4.2Å; F442-Y455 AromaticContact CZ-CG 3.77Å; F442-Y455 HydrophobicContact CZ-CG 3.77Å; M444-Y455 HydrophobicContact CE-CD2 3.21Å; M444-Y455 HydrophobicContact CE-CE2 3.56Å; M444-Y455 HydrophobicContact CE-CG 4.4Å; T451-Y455 WeakPolarHBondContact O-CB 3.44Å; T451-Y455 PolarHBondContact O-N 3.11Å; F452-Y455 WeakPolarHBondContact O-CB 3.5Å; F452-Y455 PolarHBondContact O-N 2.91Å; Y455-S457 VanDerWaalsContact C-N 3.35Å; Y455-N459 HydrophobicContact CD2-CB 4.46Å; Y455-N459 HydrophobicContact CE2-CB 4.32Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.26Å; Y455-N459 VanDerWaalsContact O-CB 3.26Å; Y455-N459 WeakPolarHBondContact O-CB 3.34Å; Y455-N459 PolarHBondContact O-N 2.57Å; Y455-Y460 HydrophobicContact CE1-CD2 4.46Å; Y455-Y460 AromaticContact CE1-CE2 3.8Å; Y455-Y460 HydrophobicContact CE1-CE2 3.8Å; Y455-Y460 AromaticContact CZ-CE2 3.97Å
456	Y	86.1	Confident	85.8	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.02	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-33.9	-178.2	-76.2	-73.1	0	0	0	112.4	Y422 F452 Y460 G461 I462 I464 L494 L497	Y422-Y456 HydrophobicContact CD1-CE1 4.38Å; Y422-Y456 HydrophobicContact CE1-CD1 4.5Å; Y422-Y456 AromaticContact CE1-CE1 3.73Å; Y422-Y456 HydrophobicContact CE1-CE1 3.73Å; Y422-Y456 AromaticContact CE2-CE1 3.92Å; Y422-Y456 HydrophobicContact CE2-CE1 3.92Å; Y422-Y456 AromaticContact CZ-CE1 3.49Å; Y422-Y456 VanDerWaalsContact CZ-CE1 3.49Å; Y422-Y456 PolarHBondContact OH-OH 3.45Å; Y422-Y456 VanDerWaalsContact OH-OH 3.12Å; F452-Y456 HydrophobicContact CB-CD2 4.43Å; F452-Y456 HydrophobicContact CB-CE2 4.44Å; F452-Y456 HydrophobicContact CD1-CE2 4.34Å; F452-Y456 WeakPolarHBondContact O-CD2 3.42Å; F452-Y456 PolarHBondContact O-N 2.93Å; Y456-Y460 AromaticContact CD1-CD2 3.7Å; Y456-Y460 HydrophobicContact CD1-CD2 3.7Å; Y456-Y460 HydrophobicContact CD1-CE2 4.23Å; Y456-Y460 HydrophobicContact CE1-CD2 4.17Å; Y456-Y460 HydrophobicContact CE1-CE2 4.26Å; Y456-Y460 CarbonylContact O-C 3.49Å; Y456-Y460 WeakPolarHBondContact O-CA 3.1Å; Y456-Y460 WeakPolarHBondContact O-CB 2.97Å; Y456-Y460 PolarHBondContact O-N 3.29Å; Y456-Y460 VanDerWaalsContact O-N 3.1Å; Y456-G461 PolarHBondContact O-N 2.76Å; Y456-G461 VanDerWaalsContact O-N 3.13Å; Y456-I462 CarbonylContact C-O 3.57Å; Y456-I462 PolarHBondContact O-N 3.41Å; Y456-I462 VanDerWaalsContact O-N 3.08Å; Y456-I464 HydrophobicContact CD2-CD1 4.47Å; Y456-I464 HydrophobicContact CG-CD1 4.36Å; Y456-L494 HydrophobicContact CD2-CD1 4.12Å; Y456-L494 HydrophobicContact CD2-CD2 4.14Å; Y456-L494 HydrophobicContact CE2-CD1 3.41Å; Y456-L494 VanDerWaalsContact CE2-CD1 3.41Å; Y456-L494 HydrophobicContact CE2-CD2 4.2Å; Y456-L494 HydrophobicContact CE2-CG 4.37Å; Y456-L497 HydrophobicContact CD1-CD1 3.53Å; Y456-L497 HydrophobicContact CD2-CD1 4.36Å; Y456-L497 HydrophobicContact CE1-CD1 3.73Å; Y456-L497 HydrophobicContact CG-CD1 3.87Å
457	S	86.3	Confident	86.9	Confident	62 Å²	62	71.5 Å²	71.5	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-52.2	173.7	-178.6	0	0	0	0	111.8	L453 E454 Y455 G461 I462	L453-S457 WeakPolarHBondContact O-CB 3.15Å; L453-S457 PolarHBondContact O-N 3.12Å; L453-S457 VanDerWaalsContact O-N 3.11Å; E454-S457 PolarHBondContact O-N 3.22Å; Y455-S457 VanDerWaalsContact C-N 3.35Å; S457-G461 WeakPolarHBondContact O-CA 3.45Å; S457-G461 PolarHBondContact O-N 3.5Å; S457-I462 WeakPolarHBondContact CA-O 3.44Å; S457-I462 PolarHBondContact N-O 2.86Å
458	K	82	Confident	87.7	Confident	141 Å²	141	72.8 Å²	72.8	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-69.4	-41.8	-177	-71.7	172.6	178.3	162.9	0	113	I450 E454	I450-K458 HydrophobicContact CD1-CD 4.13Å; E454-K458 VanDerWaalsContact O-CB 3.25Å; E454-K458 WeakPolarHBondContact O-CB 3.3Å; E454-K458 WeakPolarHBondContact O-CG 3.48Å; E454-K458 PolarHBondContact O-N 2.84Å; E454-K458 IonicContact OE2-NZ 2.73Å; E454-K458 PolarHBondContact OE2-NZ 3.12Å
459	N	78.1	Confident	88.4	Confident	87 Å²	87	66.1 Å²	66.1	47%	0.465	34%	0.342	S	S	.	.	H	α-helix	trans	-91.6	-27	-171.8	-69.5	26.6	0	0	0	113.7	Y455	Y455-N459 HydrophobicContact CD2-CB 4.46Å; Y455-N459 HydrophobicContact CE2-CB 4.32Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.26Å; Y455-N459 VanDerWaalsContact O-CB 3.26Å; Y455-N459 WeakPolarHBondContact O-CB 3.34Å; Y455-N459 PolarHBondContact O-N 2.57Å
460	Y	82	Confident	88.8	Confident	86 Å²	86	59.9 Å²	59.9	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-126	-6.3	-174.8	-60.1	-72.7	0	0	0	113.7	Y422 Y455 Y456 I462	Y422-Y460 AromaticContact CD2-CD1 3.86Å; Y422-Y460 HydrophobicContact CD2-CD1 3.86Å; Y422-Y460 HydrophobicContact CD2-CD2 4.13Å; Y422-Y460 AromaticContact CD2-CE1 3.66Å; Y422-Y460 HydrophobicContact CD2-CE1 3.66Å; Y422-Y460 AromaticContact CD2-CE2 3.91Å; Y422-Y460 HydrophobicContact CD2-CE2 3.91Å; Y422-Y460 HydrophobicContact CD2-CG 4.1Å; Y422-Y460 AromaticContact CD2-CZ 3.68Å; Y422-Y460 HydrophobicContact CE2-CD2 4.45Å; Y422-Y460 HydrophobicContact CE2-CE1 4.32Å; Y422-Y460 AromaticContact CE2-CE2 3.94Å; Y422-Y460 HydrophobicContact CE2-CE2 3.94Å; Y422-Y460 AromaticContact CE2-CZ 3.87Å; Y422-Y460 HydrophobicContact CG-CD1 4.42Å; Y422-Y460 HydrophobicContact CG-CG 4.49Å; Y455-Y460 HydrophobicContact CE1-CD2 4.46Å; Y455-Y460 AromaticContact CE1-CE2 3.8Å; Y455-Y460 HydrophobicContact CE1-CE2 3.8Å; Y455-Y460 AromaticContact CZ-CE2 3.97Å; Y456-Y460 AromaticContact CD1-CD2 3.7Å; Y456-Y460 HydrophobicContact CD1-CD2 3.7Å; Y456-Y460 HydrophobicContact CD1-CE2 4.23Å; Y456-Y460 HydrophobicContact CE1-CD2 4.17Å; Y456-Y460 HydrophobicContact CE1-CE2 4.26Å; Y456-Y460 CarbonylContact O-C 3.49Å; Y456-Y460 WeakPolarHBondContact O-CA 3.1Å; Y456-Y460 WeakPolarHBondContact O-CB 2.97Å; Y456-Y460 PolarHBondContact O-N 3.29Å; Y456-Y460 VanDerWaalsContact O-N 3.1Å; Y460-I462 VanDerWaalsContact C-N 3.27Å; Y460-I462 PolarHBondContact O-N 3.41Å
461	G	84.4	Confident	89.1	Confident	65 Å²	65	59.1 Å²	59.1	67%	0.67	31%	0.309	S	S	*	.			trans	67.6	25.7	-176.8	0	0	0	0	0	113.4	Y456 S457	Y456-G461 PolarHBondContact O-N 2.76Å; Y456-G461 VanDerWaalsContact O-N 3.13Å; S457-G461 WeakPolarHBondContact O-CA 3.45Å; S457-G461 PolarHBondContact O-N 3.5Å
462	I	88.6	Confident	89.2	Confident	41 Å²	41	57.4 Å²	57.4	21%	0.21	30%	0.299	C	S	.	.			trans	-105.5	125.6	-173.6	-59	173.1	0	0	0	110.4	Y422 Y456 S457 Y460 I464 L497	Y422-I462 HydrophobicContact CD1-CD1 4.26Å; Y422-I462 HydrophobicContact CG-CD1 4.16Å; Y456-I462 CarbonylContact C-O 3.57Å; Y456-I462 PolarHBondContact O-N 3.41Å; Y456-I462 VanDerWaalsContact O-N 3.08Å; S457-I462 WeakPolarHBondContact CA-O 3.44Å; S457-I462 PolarHBondContact N-O 2.86Å; Y460-I462 VanDerWaalsContact C-N 3.27Å; Y460-I462 PolarHBondContact O-N 3.41Å; I462-I464 HydrophobicContact CG2-CD1 4.18Å; I462-L497 HydrophobicContact CD1-CD1 4.41Å; I462-L497 HydrophobicContact CG2-CD1 4.17Å; I462-L497 HydrophobicContact CG2-CD2 3.82Å
463	T	92.4	Very high	89.3	Confident	118 Å²	118	57.5 Å²	57.5	72%	0.724	30%	0.3	S	S	*	.			trans	-91.3	122	170	-50	0	0	0	0	110
464	I	93.1	Very high	89.3	Confident	10 Å²	10	57 Å²	57	5%	0.051	30%	0.296	C	S	.	.			trans	-79.9	134.7	177	-52	-53.7	0	0	0	108.9	P438 L453 Y456 I462 L494 E496 L497	P438-I464 HydrophobicContact CB-CG2 4.42Å; P438-I464 HydrophobicContact CG-CG2 4.27Å; L453-I464 HydrophobicContact CD2-CB 3.56Å; L453-I464 HydrophobicContact CD2-CG1 3.79Å; L453-I464 HydrophobicContact CD2-CG2 4.09Å; Y456-I464 HydrophobicContact CD2-CD1 4.47Å; Y456-I464 HydrophobicContact CG-CD1 4.36Å; I462-I464 HydrophobicContact CG2-CD1 4.18Å; I464-L494 HydrophobicContact CB-CD2 4.45Å; I464-L494 HydrophobicContact CD1-CD2 3.51Å; I464-L494 HydrophobicContact CG1-CD2 3.7Å; I464-L494 HydrophobicContact CG2-CD2 3.87Å; I464-E496 VanDerWaalsContact CG2-OE2 3.28Å; I464-E496 WeakPolarHBondContact CG2-OE2 3.17Å; I464-L497 HydrophobicContact CD1-CD1 3.61Å; I464-L497 HydrophobicContact CD1-CD2 4.28Å; I464-L497 HydrophobicContact CD1-CG 4.02Å
465	K	91.9	Very high	89.3	Confident	178 Å²	178	57.6 Å²	57.6	77%	0.774	30%	0.295	S	S	*	.	S	Bend	trans	-91	-43.4	-177.4	-64	176.1	-177.9	178.9	0	112.5	E496	K465-E496 WeakPolarHBondContact CB-OE1 3.36Å; K465-E496 WeakPolarHBondContact CG-OE1 3.38Å; K465-E496 PolarHBondContact N-OE1 2.87Å; K465-E496 VanDerWaalsContact N-OE1 3.16Å; K465-E496 PolarHBondContact N-OE2 3.04Å
466	E	91.9	Very high	88.7	Confident	46 Å²	46	57.4 Å²	57.4	22%	0.215	30%	0.3	C	S	.	.			trans	-100.9	97.2	-175.2	-165	66.1	-133.4	0	0	109.7	L391 D468 Q469 E496	L391-E466 HydrophobicContact CD2-CB 3.72Å; L391-E466 HydrophobicContact CD2-CG 4.18Å; E466-D468 VanDerWaalsContact C-N 3.33Å; E466-D468 PolarHBondContact O-N 2.89Å; E466-Q469 HydrophobicContact CB-CB 4.37Å; E466-Q469 HydrophobicContact CG-CB 4.11Å; E466-Q469 VanDerWaalsContact O-CG 3.32Å; E466-Q469 WeakPolarHBondContact O-CG 3.5Å; E466-Q469 PolarHBondContact O-NE2 2.8Å; E466-E496 PolarHBondContact N-OE2 3.45Å
467	E	92.3	Very high	87.3	Confident	88 Å²	88	60.8 Å²	60.8	41%	0.411	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.8	-171.7	-51.9	-175.5	166.3	0	0	114.2	P438 K439 L453	P438-E467 VanDerWaalsContact CD-O 3.26Å; P438-E467 WeakPolarHBondContact CD-O 3.27Å; K439-E467 WeakPolarHBondContact CE-OE2 3.37Å; K439-E467 HydrophobicContact CG-CB 4.49Å; K439-E467 IonicContact NZ-OE2 3.81Å; L453-E467 HydrophobicContact CD2-CG 4.49Å
468	D	92.3	Very high	85.8	Confident	82 Å²	82	64.6 Å²	64.6	44%	0.439	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.1	-178.1	-59.8	-34.4	0	0	0	112.4	K439 E466	K439-D468 IonicContact NZ-OD1 3.96Å; K439-D468 PolarHBondContact NZ-OD1 3.17Å; E466-D468 VanDerWaalsContact C-N 3.33Å; E466-D468 PolarHBondContact O-N 2.89Å
469	Q	93.9	Very high	84	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.			trans	-67.8	146.6	175.2	71.4	-172.3	-75.2	0	0	111.4	L391 P438 E466 P495 E496	L391-Q469 HydrophobicContact CD1-CB 3.94Å; P438-Q469 WeakPolarHBondContact CD-O 3.4Å; P438-Q469 HydrophobicContact CG-CG 3.69Å; E466-Q469 HydrophobicContact CB-CB 4.37Å; E466-Q469 HydrophobicContact CG-CB 4.11Å; E466-Q469 VanDerWaalsContact O-CG 3.32Å; E466-Q469 WeakPolarHBondContact O-CG 3.5Å; E466-Q469 PolarHBondContact O-NE2 2.8Å; Q469-P495 VanDerWaalsContact OE1-CD 3.25Å; Q469-E496 PolarHBondContact NE2-OE2 3.32Å; Q469-E496 VanDerWaalsContact OE1-CB 3.31Å
470	P	95.3	Very high	82.2	Confident	7 Å²	7	63.8 Å²	63.8	5%	0.045	33%	0.327	C	S	.	.			trans	-70.2	172.3	174.1	30.9	-35.5	0	0	0	111.4	M394 V432 D433 W434 K436 P495	M394-P470 HydrophobicContact CE-CG 3.34Å; M394-P470 HydrophobicContact SD-CG 4.24Å; V432-P470 HydrophobicContact CG1-CB 4.05Å; V432-P470 HydrophobicContact CG1-CG 4.25Å; D433-P470 VanDerWaalsContact O-CB 3.3Å; D433-P470 WeakPolarHBondContact O-CB 3.36Å; W434-P470 HydrophobicContact CD2-CB 4.45Å; W434-P470 HydrophobicContact CE3-CB 3.82Å; W434-P470 HydrophobicContact CE3-CG 3.84Å; W434-P470 HydrophobicContact CZ3-CB 4.26Å; W434-P470 HydrophobicContact CZ3-CG 3.76Å; K436-P470 WeakPolarHBondContact O-CA 3.47Å; P470-P495 WeakPolarHBondContact O-CD 3.47Å; P470-P495 WeakPolarHBondContact O-CG 3.32Å
471	L	94.9	Very high	80.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.5	177.1	-58.9	-177.5	0	0	0	111.7	V432 D433 K436 F452 L492 L494	V432-L471 CarbonylContact C-O 3.54Å; D433-L471 HydrophobicContact CB-CB 4.45Å; D433-L471 PolarHBondContact N-O 3.13Å; D433-L471 PolarHBondContact O-N 2.93Å; K436-L471 HydrophobicContact CB-CD1 3.67Å; K436-L471 HydrophobicContact CB-CG 4.12Å; K436-L471 HydrophobicContact CD-CD1 4.43Å; F452-L471 HydrophobicContact CD2-CD1 3.91Å; F452-L471 HydrophobicContact CE1-CD1 4.43Å; F452-L471 HydrophobicContact CE2-CD1 3.41Å; F452-L471 VanDerWaalsContact CE2-CD1 3.41Å; F452-L471 HydrophobicContact CZ-CD1 3.72Å; L471-L492 HydrophobicContact CB-CD2 4.38Å; L471-L492 HydrophobicContact CD1-CB 4.2Å; L471-L492 HydrophobicContact CD1-CD1 4.22Å; L471-L494 HydrophobicContact CD2-CD1 3.76Å; L471-L494 HydrophobicContact CD2-CG 3.96Å
472	L	94.9	Very high	78.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.9	172.8	-52.1	175.1	0	0	0	109.5	V390 I429 V432 L492 L493 P495	V390-L472 HydrophobicContact CB-CD1 4.23Å; V390-L472 HydrophobicContact CG1-CD1 4.08Å; V390-L472 HydrophobicContact CG1-CD2 4.05Å; V390-L472 HydrophobicContact CG2-CD1 4.03Å; I429-L472 HydrophobicContact CD1-CD1 4.02Å; I429-L472 HydrophobicContact CD1-CD2 4.3Å; I429-L472 HydrophobicContact CG1-CD1 4.28Å; I429-L472 HydrophobicContact CG2-CD2 4.44Å; V432-L472 HydrophobicContact CG1-CD2 4.5Å; V432-L472 HydrophobicContact CG2-CD2 3.98Å; L472-L492 CarbonylContact O-C 3.55Å; L472-L492 WeakPolarHBondContact O-CA 3.4Å; L472-L493 HydrophobicContact CB-CB 4.24Å; L472-L493 PolarHBondContact N-O 3.13Å; L472-L493 PolarHBondContact O-N 3.45Å; L472-P495 HydrophobicContact CD2-CG 4.16Å; L472-P495 HydrophobicContact CG-CG 4.04Å
473	I	92.6	Very high	75.5	Confident	11 Å²	11	72.4 Å²	72.4	6%	0.056	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124	175.9	-45.1	-171.1	0	0	0	109.1	D430 D431 D433 R475 E490 L492	D430-I473 PolarHBondContact N-O 3.41Å; D431-I473 HydrophobicContact CB-CB 3.8Å; D431-I473 HydrophobicContact CB-CD1 3.89Å; D431-I473 HydrophobicContact CB-CG1 3.97Å; D431-I473 PolarHBondContact N-O 3.43Å; D431-I473 PolarHBondContact O-N 3.39Å; D433-I473 HydrophobicContact CB-CD1 3.87Å; D433-I473 HydrophobicContact CB-CG1 3.95Å; I473-R475 HydrophobicContact CG2-CG 3.9Å; I473-E490 HydrophobicContact CG2-CB 4.39Å; I473-L492 HydrophobicContact CB-CD2 4.41Å; I473-L492 HydrophobicContact CD1-CD2 4.49Å; I473-L492 HydrophobicContact CG1-CD2 3.81Å; I473-L492 HydrophobicContact CG2-CD2 4.49Å
474	H	89.9	Confident	72.9	Confident	33 Å²	33	69.2 Å²	69.2	15%	0.153	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.5	161.9	175.7	54.7	0	0	0	109.1	Y427 R428 D430 P476 I491	Y427-H474 HydrophobicContact CD1-CB 4.44Å; Y427-H474 AromaticContact CD1-CD2 3.62Å; R428-H474 WeakPolarHBondContact O-CB 3.35Å; R428-H474 PolarHBondContact O-ND1 3.35Å; D430-H474 IonicContact OD2-CE1 3.59Å; D430-H474 IonicContact OD2-CG 3.44Å; D430-H474 IonicContact OD2-ND1 3.36Å; D430-H474 PolarHBondContact OD2-ND1 3.11Å; D430-H474 VanDerWaalsContact OD2-ND1 3.11Å; H474-P476 WeakPolarHBondContact O-CD 3.31Å; H474-I491 HydrophobicContact CB-CB 4.27Å; H474-I491 PolarHBondContact N-O 3.1Å; H474-I491 PolarHBondContact O-N 3.03Å
475	R	86.6	Confident	70.1	Confident	99 Å²	99	75.1 Å²	75.1	37%	0.374	38%	0.378	S	S	.	.			trans	-107	99.8	175.6	-59.1	-171.2	-174.9	98.1	-2.7	107.7	D430 D431 I473 S477 E490	D430-R475 HydrophobicContact CB-CB 4.42Å; D430-R475 HydrophobicContact CB-CG 4.33Å; D430-R475 PolarHBondContact OD2-N 3.01Å; D431-R475 IonicContact OD2-CZ 3.2Å; D431-R475 IonicContact OD2-NH1 3.87Å; D431-R475 IonicContact OD2-NH2 3.64Å; D431-R475 PolarHBondContact OD2-NH2 3.43Å; I473-R475 HydrophobicContact CG2-CG 3.9Å; R475-S477 PolarHBondContact O-N 3.02Å; R475-E490 HydrophobicContact CG-CG 4.34Å; R475-E490 IonicContact CZ-OE1 3.82Å; R475-E490 IonicContact NE-OE1 2.74Å; R475-E490 PolarHBondContact NE-OE1 3.08Å; R475-E490 IonicContact NH2-OE1 3.2Å
476	P	74	Confident	67.8	Low	47 Å²	47	71 Å²	71	31%	0.305	36%	0.364	S	S	.	.			trans	-56.2	139.1	171.7	-15.8	29.6	0	0	0	109.5	H474 E478 G489 I491	H474-P476 WeakPolarHBondContact O-CD 3.31Å; P476-E478 PolarHBondContact O-N 2.76Å; P476-G489 WeakPolarHBondContact CD-O 3.47Å; P476-G489 WeakPolarHBondContact CG-O 3.25Å; P476-I491 HydrophobicContact CG-CD1 3.83Å; P476-I491 HydrophobicContact CG-CG1 4.02Å
477	S	56.2	Low	65.7	Low	76 Å²	76	73.2 Å²	73.2	53%	0.531	38%	0.377	S	S	.	.			trans	-51.7	136.9	173.3	-140.9	0	0	0	0	110.6	R475	R475-S477 PolarHBondContact O-N 3.02Å
478	E	53.5	Low	63.7	Low	142 Å²	142	77.7 Å²	77.7	66%	0.664	40%	0.395	S	S	*	.			trans	-43.3	134.4	-173.9	-62.8	-178	161	0	0	113.7	P476 L486	P476-E478 PolarHBondContact O-N 2.76Å; E478-L486 HydrophobicContact CB-CD2 4.16Å
479	R	45.4	Very low	62.4	Low	85 Å²	85	75.9 Å²	75.9	32%	0.321	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.5	173.3	-67	173.4	-177.9	-119.6	-30.6	109.4	S84 L487	S84-R479 PolarHBondContact O-NH2 2.86Å; R479-L487 PolarHBondContact O-N 2.98Å; R479-L487 VanDerWaalsContact O-N 3.08Å
480	Q	40.2	Very low	61.8	Low	126 Å²	126	81.2 Å²	81.2	59%	0.589	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.7	161.6	-83.3	177.3	-6.6	0	0	109	L486	Q480-L486 HydrophobicContact CG-CD2 4.25Å
481	N	41.3	Very low	61.5	Low	71 Å²	71	83.8 Å²	83.8	38%	0.38	43%	0.434	S	S	.	.			trans	-76.3	166.5	162.8	-73.8	-7.3	0	0	0	110.3	H483 G484 M485 L487	N481-H483 PolarHBondContact O-N 3.35Å; N481-G484 PolarHBondContact O-N 3.33Å; N481-M485 PolarHBondContact N-O 3.06Å; N481-L487 WeakPolarHBondContact ND2-CD1 3.33Å; N481-L487 WeakPolarHBondContact ND2-CG 3.43Å; N481-L487 VanDerWaalsContact OD1-CD1 3.3Å; N481-L487 WeakPolarHBondContact OD1-CD1 3.26Å
482	N	38.2	Very low	61.3	Low	144 Å²	144	85.1 Å²	85.1	77%	0.77	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-15.2	177.4	-69	-5.8	0	0	0	114.5
483	H	34.5	Very low	61.3	Low	158 Å²	158	85.4 Å²	85.4	73%	0.731	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	8.8	179.2	-64.6	91.5	0	0	0	114	N481 M485	N481-H483 PolarHBondContact O-N 3.35Å; H483-M485 PolarHBondContact O-N 3.42Å; H483-M485 VanDerWaalsContact O-N 3.14Å
484	G	37.8	Very low	61.4	Low	51 Å²	51	84.9 Å²	84.9	53%	0.526	44%	0.439	S	S	.	.	S	Bend	trans	75	-3.8	179.1	0	0	0	0	0	115.6	N481	N481-G484 PolarHBondContact O-N 3.33Å
485	M	34.2	Very low	61.7	Low	134 Å²	134	83.3 Å²	83.3	66%	0.66	43%	0.432	S	S	*	.			trans	-71.3	130.2	169.3	-82.6	-175.1	71	0	0	111.5	N481 H483 L487	N481-M485 PolarHBondContact N-O 3.06Å; H483-M485 PolarHBondContact O-N 3.42Å; H483-M485 VanDerWaalsContact O-N 3.14Å; M485-L487 PolarHBondContact O-N 3.47Å
486	L	44.8	Very low	62.1	Low	90 Å²	90	79.9 Å²	79.9	47%	0.471	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	113.4	170.4	-74.8	162.8	0	0	0	109.3	E478 Q480 K488	E478-L486 HydrophobicContact CB-CD2 4.16Å; Q480-L486 HydrophobicContact CG-CD2 4.25Å; L486-K488 PolarHBondContact O-N 3.14Å
487	L	46.1	Very low	62.9	Low	94 Å²	94	78.6 Å²	78.6	49%	0.492	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	103.6	168	-76.7	-179.4	0	0	0	109.3	R479 N481 M485 G489	R479-L487 PolarHBondContact O-N 2.98Å; R479-L487 VanDerWaalsContact O-N 3.08Å; N481-L487 WeakPolarHBondContact ND2-CD1 3.33Å; N481-L487 WeakPolarHBondContact ND2-CG 3.43Å; N481-L487 VanDerWaalsContact OD1-CD1 3.3Å; N481-L487 WeakPolarHBondContact OD1-CD1 3.26Å; M485-L487 PolarHBondContact O-N 3.47Å; L487-G489 PolarHBondContact O-N 2.9Å
488	K	50.8	Low	64.7	Low	182 Å²	182	75 Å²	75	79%	0.791	39%	0.385	S	S	*	.			trans	-82.9	82.7	162.5	-73.3	-176.7	177.3	-178.4	0	108.7	L486	L486-K488 PolarHBondContact O-N 3.14Å
489	G	64.6	Low	66.5	Low	44 Å²	44	69.6 Å²	69.6	45%	0.454	36%	0.36	S	S	.	.			trans	-91.3	103.4	173.9	0	0	0	0	0	110.3	P476 L487	P476-G489 WeakPolarHBondContact CD-O 3.47Å; P476-G489 WeakPolarHBondContact CG-O 3.25Å; L487-G489 PolarHBondContact O-N 2.9Å
490	E	82	Confident	68.4	Low	112 Å²	112	65.7 Å²	65.7	52%	0.523	35%	0.345	S	S	.	.			trans	-77.4	135.5	170.7	-61.1	-170.1	136.7	0	0	109.9	I473 R475	I473-E490 HydrophobicContact CG2-CB 4.39Å; R475-E490 HydrophobicContact CG-CG 4.34Å; R475-E490 IonicContact CZ-OE1 3.82Å; R475-E490 IonicContact NE-OE1 2.74Å; R475-E490 PolarHBondContact NE-OE1 3.08Å; R475-E490 IonicContact NH2-OE1 3.2Å
491	I	88.6	Confident	70.6	Confident	61 Å²	61	60.7 Å²	60.7	31%	0.313	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	176.4	-59.6	-176.3	0	0	0	108	Y427 H474 P476 L493	Y427-I491 HydrophobicContact CE1-CD1 4.26Å; Y427-I491 HydrophobicContact CE1-CG2 4.36Å; H474-I491 HydrophobicContact CB-CB 4.27Å; H474-I491 PolarHBondContact N-O 3.1Å; H474-I491 PolarHBondContact O-N 3.03Å; P476-I491 HydrophobicContact CG-CD1 3.83Å; P476-I491 HydrophobicContact CG-CG1 4.02Å; I491-L493 HydrophobicContact CG2-CD2 3.84Å; I491-L493 HydrophobicContact CG2-CG 4.21Å
492	L	92.1	Very high	72.4	Confident	28 Å²	28	58.6 Å²	58.6	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.4	177.3	-63.1	172	0	0	0	110.2	K436 F452 L471 L472 I473	K436-L492 HydrophobicContact CD-CD1 3.91Å; F452-L492 HydrophobicContact CE1-CB 3.94Å; F452-L492 HydrophobicContact CZ-CB 3.8Å; F452-L492 HydrophobicContact CZ-CD1 3.78Å; F452-L492 HydrophobicContact CZ-CG 4.44Å; L471-L492 HydrophobicContact CB-CD2 4.38Å; L471-L492 HydrophobicContact CD1-CB 4.2Å; L471-L492 HydrophobicContact CD1-CD1 4.22Å; L472-L492 CarbonylContact O-C 3.55Å; L472-L492 WeakPolarHBondContact O-CA 3.4Å; I473-L492 HydrophobicContact CB-CD2 4.41Å; I473-L492 HydrophobicContact CD1-CD2 4.49Å; I473-L492 HydrophobicContact CG1-CD2 3.81Å; I473-L492 HydrophobicContact CG2-CD2 4.49Å
493	L	94	Very high	74.4	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.8	-176.7	-53.3	167.7	0	0	0	110.4	T420 Y427 L472 I491	T420-L493 HydrophobicContact CG2-CD2 4.46Å; Y427-L493 HydrophobicContact CD1-CD1 4.22Å; Y427-L493 HydrophobicContact CD2-CD1 3.42Å; Y427-L493 VanDerWaalsContact CD2-CD1 3.42Å; Y427-L493 HydrophobicContact CD2-CD2 4.05Å; Y427-L493 HydrophobicContact CD2-CG 4.4Å; Y427-L493 HydrophobicContact CE2-CD1 4.13Å; Y427-L493 HydrophobicContact CE2-CD2 3.88Å; Y427-L493 HydrophobicContact CG-CD1 3.45Å; Y427-L493 VanDerWaalsContact CG-CD1 3.45Å; Y427-L493 HydrophobicContact CG-CD2 4.5Å; L472-L493 HydrophobicContact CB-CB 4.24Å; L472-L493 PolarHBondContact N-O 3.13Å; L472-L493 PolarHBondContact O-N 3.45Å; I491-L493 HydrophobicContact CG2-CD2 3.84Å; I491-L493 HydrophobicContact CG2-CG 4.21Å
494	L	95.2	Very high	76.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.			trans	-83.3	130.2	176.7	-80.3	63.7	0	0	0	110.1	P438 F452 Y456 I464 L471 E496 L497 S498	P438-L494 HydrophobicContact CB-CD2 4.23Å; P438-L494 HydrophobicContact CG-CD2 3.99Å; P438-L494 HydrophobicContact CG-CG 4.24Å; F452-L494 HydrophobicContact CB-CD1 4.1Å; F452-L494 HydrophobicContact CD1-CD1 4.11Å; F452-L494 HydrophobicContact CG-CD1 4.24Å; Y456-L494 HydrophobicContact CD2-CD1 4.12Å; Y456-L494 HydrophobicContact CD2-CD2 4.14Å; Y456-L494 HydrophobicContact CE2-CD1 3.41Å; Y456-L494 VanDerWaalsContact CE2-CD1 3.41Å; Y456-L494 HydrophobicContact CE2-CD2 4.2Å; Y456-L494 HydrophobicContact CE2-CG 4.37Å; I464-L494 HydrophobicContact CB-CD2 4.45Å; I464-L494 HydrophobicContact CD1-CD2 3.51Å; I464-L494 HydrophobicContact CG1-CD2 3.7Å; I464-L494 HydrophobicContact CG2-CD2 3.87Å; L471-L494 HydrophobicContact CD2-CD1 3.76Å; L471-L494 HydrophobicContact CD2-CG 3.96Å; L494-E496 VanDerWaalsContact C-N 3.27Å; L494-E496 PolarHBondContact O-N 2.86Å; L494-L497 HydrophobicContact CB-CG 4.41Å; L494-L497 PolarHBondContact O-N 3.24Å; L494-S498 WeakPolarHBondContact O-CB 3.47Å; L494-S498 PolarHBondContact O-N 2.98Å; L494-S498 PolarHBondContact O-OG 3.5Å
495	P	95.4	Very high	78.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-53.2	-38.6	173.3	-29.7	34.9	0	0	0	114.5	V390 L391 M394 Q469 P470 L472 L497 S498	V390-P495 HydrophobicContact CB-CB 4.05Å; V390-P495 HydrophobicContact CG1-CB 4.05Å; V390-P495 PolarHBondContact N-O 3.01Å; L391-P495 HydrophobicContact CB-CB 3.95Å; L391-P495 HydrophobicContact CD1-CB 4.44Å; L391-P495 PolarHBondContact N-O 3.21Å; M394-P495 HydrophobicContact SD-CB 4.1Å; M394-P495 HydrophobicContact SD-CG 4.13Å; Q469-P495 VanDerWaalsContact OE1-CD 3.25Å; P470-P495 WeakPolarHBondContact O-CD 3.47Å; P470-P495 WeakPolarHBondContact O-CG 3.32Å; L472-P495 HydrophobicContact CD2-CG 4.16Å; L472-P495 HydrophobicContact CG-CG 4.04Å; P495-L497 VanDerWaalsContact C-N 3.29Å; P495-L497 PolarHBondContact O-N 3.5Å; P495-S498 PolarHBondContact O-N 3.38Å; P495-S498 VanDerWaalsContact O-O 3.1Å
496	E	94.7	Very high	79.9	Confident	28 Å²	28	48.9 Å²	48.9	13%	0.131	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.2	-36	179	-176.9	179	165.8	0	0	112.5	S389 L391 I464 K465 E466 Q469 L494	S389-E496 WeakPolarHBondContact CB-O 3.32Å; L391-E496 HydrophobicContact CB-CB 4.45Å; L391-E496 HydrophobicContact CD2-CB 3.91Å; L391-E496 HydrophobicContact CD2-CG 4.32Å; I464-E496 VanDerWaalsContact CG2-OE2 3.28Å; I464-E496 WeakPolarHBondContact CG2-OE2 3.17Å; K465-E496 WeakPolarHBondContact CB-OE1 3.36Å; K465-E496 WeakPolarHBondContact CG-OE1 3.38Å; K465-E496 PolarHBondContact N-OE1 2.87Å; K465-E496 VanDerWaalsContact N-OE1 3.16Å; K465-E496 PolarHBondContact N-OE2 3.04Å; E466-E496 PolarHBondContact N-OE2 3.45Å; Q469-E496 PolarHBondContact NE2-OE2 3.32Å; Q469-E496 VanDerWaalsContact OE1-CB 3.31Å; L494-E496 VanDerWaalsContact C-N 3.27Å; L494-E496 PolarHBondContact O-N 2.86Å
497	L	92.4	Very high	81.5	Confident	19 Å²	19	45.3 Å²	45.3	10%	0.099	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-96.9	-0.4	-177.3	-55.1	-173.9	0	0	0	113.4	Y422 Y456 I462 I464 L494 P495	Y422-L497 HydrophobicContact CD1-CB 4.05Å; Y422-L497 HydrophobicContact CD1-CD1 4.16Å; Y422-L497 HydrophobicContact CE1-CB 3.75Å; Y422-L497 HydrophobicContact CE1-CD1 4.04Å; Y456-L497 HydrophobicContact CD1-CD1 3.53Å; Y456-L497 HydrophobicContact CD2-CD1 4.36Å; Y456-L497 HydrophobicContact CE1-CD1 3.73Å; Y456-L497 HydrophobicContact CG-CD1 3.87Å; I462-L497 HydrophobicContact CD1-CD1 4.41Å; I462-L497 HydrophobicContact CG2-CD1 4.17Å; I462-L497 HydrophobicContact CG2-CD2 3.82Å; I464-L497 HydrophobicContact CD1-CD1 3.61Å; I464-L497 HydrophobicContact CD1-CD2 4.28Å; I464-L497 HydrophobicContact CD1-CG 4.02Å; L494-L497 HydrophobicContact CB-CG 4.41Å; L494-L497 PolarHBondContact O-N 3.24Å; P495-L497 VanDerWaalsContact C-N 3.29Å; P495-L497 PolarHBondContact O-N 3.5Å
498	S	92.9	Very high	83	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.3	-178.2	-60.9	0	0	0	0	109.4	S389 V390 L494 P495	S389-S498 CarbonylContact C-O 3.58Å; S389-S498 WeakPolarHBondContact CA-O 3.34Å; V390-S498 WeakPolarHBondContact CG2-O 3.33Å; V390-S498 PolarHBondContact N-O 2.9Å; L494-S498 WeakPolarHBondContact O-CB 3.47Å; L494-S498 PolarHBondContact O-N 2.98Å; L494-S498 PolarHBondContact O-OG 3.5Å; P495-S498 PolarHBondContact O-N 3.38Å; P495-S498 VanDerWaalsContact O-O 3.1Å
499	F	90.6	Very high	84.1	Confident	29 Å²	29	42.9 Å²	42.9	13%	0.127	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.6	-177.9	-69	-96.3	0	0	0	110.8	N387 V418 I419 R421	N387-F499 WeakPolarHBondContact O-CE1 3.49Å; V418-F499 CarbonylContact C-O 3.53Å; V418-F499 VanDerWaalsContact CA-O 3.25Å; V418-F499 WeakPolarHBondContact CA-O 3.25Å; V418-F499 WeakPolarHBondContact CB-O 3.46Å; I419-F499 HydrophobicContact CG2-CB 4.04Å; I419-F499 PolarHBondContact N-O 2.75Å; I419-F499 PolarHBondContact O-N 3.32Å; R421-F499 HydrophobicContact CB-CE2 4.46Å; R421-F499 HydrophobicContact CG-CD2 3.63Å; R421-F499 HydrophobicContact CG-CE2 3.87Å; R421-F499 HydrophobicContact CG-CG 4.29Å; R421-F499 VanDerWaalsContact CZ-CE1 3.49Å
500	M	86.9	Confident	84.8	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.1	178.8	-71.3	-66.2	-77	0	0	110.7	R386 D388 V390 V393 L413 N416 V418	R386-M500 HydrophobicContact CB-CB 4.15Å; R386-M500 WeakPolarHBondContact CB-O 3.39Å; R386-M500 HydrophobicContact CG-CB 4.13Å; R386-M500 WeakPolarHBondContact CG-O 3.35Å; R386-M500 PolarHBondContact N-O 3.39Å; D388-M500 PolarHBondContact O-N 2.89Å; V390-M500 HydrophobicContact CG2-CG 4.24Å; V390-M500 HydrophobicContact CG2-SD 3.98Å; V393-M500 HydrophobicContact CG2-CG 4.2Å; L413-M500 HydrophobicContact CD2-CE 4.31Å; L413-M500 HydrophobicContact CD2-SD 4.08Å; N416-M500 HydrophobicContact CB-CE 4.1Å; N416-M500 WeakPolarHBondContact ND2-CE 3.28Å; V418-M500 HydrophobicContact CG1-SD 3.97Å
501	T	85.3	Confident	84.6	Confident	20 Å²	20	44.9 Å²	44.9	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	161.5	175.6	74.2	0	0	0	0	112.4	I417 I419	I417-T501 WeakPolarHBondContact O-CB 3.45Å; I417-T501 PolarHBondContact O-N 3.24Å; I417-T501 PolarHBondContact O-OG1 3.43Å; I419-T501 HydrophobicContact CB-CG2 3.66Å; I419-T501 HydrophobicContact CG2-CG2 3.6Å
502	G	79.6	Confident	84.3	Confident	27 Å²	27	51.4 Å²	51.4	28%	0.278	24%	0.239	S	C	.	.	S	Bend	trans	76.2	173	177	0	0	0	0	0	113.7	V384 R386	V384-G502 PolarHBondContact O-N 2.81Å; R386-G502 PolarHBondContact NE-O 2.78Å; R386-G502 PolarHBondContact NH2-O 2.83Å
503	I	79.3	Confident	83.8	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.087	23%	0.232	C	C	.	.			trans	-76.6	126.1	-173	-56	168.7	0	0	0	109.4	W140 V384 R386 M507 K508 M514 L517	W140-I503 HydrophobicContact CH2-CD1 3.66Å; W140-I503 HydrophobicContact CZ2-CD1 3.64Å; W140-I503 HydrophobicContact CZ3-CD1 4.3Å; V384-I503 HydrophobicContact CG1-CG1 4.42Å; R386-I503 PolarHBondContact NH2-O 2.79Å; I503-M507 HydrophobicContact CG2-CB 4.21Å; I503-M507 HydrophobicContact CG2-CG 4.34Å; I503-M507 HydrophobicContact CG2-SD 3.96Å; I503-K508 HydrophobicContact CB-CG 4.27Å; I503-K508 HydrophobicContact CG2-CG 3.73Å; I503-K508 WeakPolarHBondContact O-CE 3.39Å; I503-M514 HydrophobicContact CD1-CE 4.34Å; I503-M514 HydrophobicContact CD1-SD 4.33Å; I503-M514 HydrophobicContact CG2-SD 3.85Å; I503-L517 HydrophobicContact CD1-CD2 3.43Å; I503-L517 VanDerWaalsContact CD1-CD2 3.43Å; I503-L517 HydrophobicContact CG1-CD2 3.6Å; I503-L517 HydrophobicContact CG2-CD2 4.24Å
504	P	77.1	Confident	83.3	Confident	27 Å²	27	51.1 Å²	51.1	18%	0.175	24%	0.237	C	C	.	.			trans	-54.4	138.3	174.8	-18.5	25.6	0	0	0	112.3	R386 K506 M507 K508	R386-P504 VanDerWaalsContact NH2-CA 3.31Å; P504-K506 VanDerWaalsContact C-N 3.26Å; P504-K506 PolarHBondContact O-N 2.77Å; P504-M507 HydrophobicContact CB-CB 3.96Å; P504-M507 HydrophobicContact CG-CB 4.13Å; P504-M507 CarbonylContact O-C 3.57Å; P504-M507 WeakPolarHBondContact O-CA 3.47Å; P504-M507 WeakPolarHBondContact O-CB 3.41Å; P504-M507 PolarHBondContact O-N 2.64Å; P504-K508 PolarHBondContact O-N 3.37Å
505	E	73.4	Confident	82.8	Confident	70 Å²	70	56.4 Å²	56.4	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-35.2	178.7	-77.9	-54	158.9	0	0	113.3	M133 M507 K508 K509	M133-E505 HydrophobicContact CE-CB 3.46Å; M133-E505 VanDerWaalsContact CE-CB 3.46Å; M133-E505 VanDerWaalsContact CE-CD 3.49Å; M133-E505 HydrophobicContact CE-CG 3.6Å; M133-E505 WeakPolarHBondContact CE-OE2 3.46Å; M133-E505 WeakPolarHBondContact CG-OE2 3.41Å; M133-E505 HydrophobicContact SD-CB 4.24Å; M133-E505 HydrophobicContact SD-CG 3.66Å; E505-M507 VanDerWaalsContact C-N 3.28Å; E505-M507 PolarHBondContact O-N 2.96Å; E505-K508 PolarHBondContact O-N 3.14Å; E505-K508 IonicContact OE1-NZ 3.11Å; E505-K508 PolarHBondContact OE1-NZ 2.98Å; E505-K508 WeakPolarHBondContact OE2-CD 3.47Å; E505-K508 IonicContact OE2-NZ 3.47Å; E505-K509 PolarHBondContact O-N 2.81Å
506	K	73.3	Confident	82.2	Confident	170 Å²	170	58.7 Å²	58.7	74%	0.739	27%	0.272	S	S	*	.	H	α-helix	trans	-59.5	-41.9	171.8	-65.4	-178.2	179.4	179.7	0	111.1	P504 K509 D510	P504-K506 VanDerWaalsContact C-N 3.26Å; P504-K506 PolarHBondContact O-N 2.77Å; K506-K509 PolarHBondContact O-N 3.49Å; K506-D510 PolarHBondContact O-N 2.78Å
507	M	77.4	Confident	81.8	Confident	15 Å²	15	57.4 Å²	57.4	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-70	-36	178.2	-168.6	-171.4	177	0	0	112.2	H355 L357 I503 P504 E505 K509 D510 A513 M514 L517	H355-M507 HydrophobicContact CB-CE 4.16Å; L357-M507 HydrophobicContact CD1-CE 3.67Å; L357-M507 HydrophobicContact CD1-SD 3.45Å; L357-M507 WeakPolarHBondContact CD1-SD 3.35Å; L357-M507 HydrophobicContact CG-SD 4.49Å; I503-M507 HydrophobicContact CG2-CB 4.21Å; I503-M507 HydrophobicContact CG2-CG 4.34Å; I503-M507 HydrophobicContact CG2-SD 3.96Å; P504-M507 HydrophobicContact CB-CB 3.96Å; P504-M507 HydrophobicContact CG-CB 4.13Å; P504-M507 CarbonylContact O-C 3.57Å; P504-M507 WeakPolarHBondContact O-CA 3.47Å; P504-M507 WeakPolarHBondContact O-CB 3.41Å; P504-M507 PolarHBondContact O-N 2.64Å; E505-M507 VanDerWaalsContact C-N 3.28Å; E505-M507 PolarHBondContact O-N 2.96Å; M507-K509 PolarHBondContact O-N 2.93Å; M507-K509 VanDerWaalsContact O-N 3.14Å; M507-D510 WeakPolarHBondContact O-CA 3.5Å; M507-D510 PolarHBondContact O-N 2.94Å; M507-D510 VanDerWaalsContact O-O 3.07Å; M507-A513 HydrophobicContact CE-CB 3.67Å; M507-A513 WeakPolarHBondContact CE-O 3.31Å; M507-A513 HydrophobicContact CG-CB 3.49Å; M507-A513 VanDerWaalsContact CG-CB 3.49Å; M507-A513 HydrophobicContact SD-CB 4.37Å; M507-M514 WeakPolarHBondContact O-CG 3.48Å; M507-L517 HydrophobicContact CE-CB 3.94Å; M507-L517 HydrophobicContact CE-CD2 4.12Å
508	K	77.4	Confident	81.4	Confident	64 Å²	64	57.7 Å²	57.7	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-27.4	175.1	-64.2	-168.1	-160.2	160.7	0	112.8	W140 I503 P504 E505	W140-K508 HydrophobicContact CH2-CD 4.04Å; W140-K508 HydrophobicContact CH2-CG 4.18Å; I503-K508 HydrophobicContact CB-CG 4.27Å; I503-K508 HydrophobicContact CG2-CG 3.73Å; I503-K508 WeakPolarHBondContact O-CE 3.39Å; P504-K508 PolarHBondContact O-N 3.37Å; E505-K508 PolarHBondContact O-N 3.14Å; E505-K508 IonicContact OE1-NZ 3.11Å; E505-K508 PolarHBondContact OE1-NZ 2.98Å; E505-K508 WeakPolarHBondContact OE2-CD 3.47Å; E505-K508 IonicContact OE2-NZ 3.47Å
509	K	73.9	Confident	80.9	Confident	160 Å²	160	63.5 Å²	63.5	70%	0.696	30%	0.299	S	S	*	.	H	α-helix	trans	-83.3	-21	174.9	-62.9	-179.8	-178.2	-177.7	0	112.9	E505 K506 M507	E505-K509 PolarHBondContact O-N 2.81Å; K506-K509 PolarHBondContact O-N 3.49Å; M507-K509 PolarHBondContact O-N 2.93Å; M507-K509 VanDerWaalsContact O-N 3.14Å
510	D	79.4	Confident	80.5	Confident	72 Å²	72	65.8 Å²	65.8	39%	0.385	31%	0.31	S	S	.	.			trans	-85.9	111.5	175.9	-175.2	-9.4	0	0	0	111	K506 M507 R512 A513 M514	K506-D510 PolarHBondContact O-N 2.78Å; M507-D510 WeakPolarHBondContact O-CA 3.5Å; M507-D510 PolarHBondContact O-N 2.94Å; M507-D510 VanDerWaalsContact O-O 3.07Å; D510-R512 VanDerWaalsContact C-N 3.34Å; D510-R512 PolarHBondContact O-N 2.8Å; D510-R512 PolarHBondContact OD1-N 2.83Å; D510-A513 HydrophobicContact CB-CB 4Å; D510-M514 WeakPolarHBondContact O-CB 3.32Å; D510-M514 WeakPolarHBondContact O-CG 3.42Å; D510-M514 PolarHBondContact O-N 2.81Å; D510-M514 VanDerWaalsContact O-N 3.08Å
511	F	76.9	Confident	80.4	Confident	126 Å²	126	67.1 Å²	67.1	55%	0.553	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-34.4	-178.6	-175.6	-110.9	0	0	0	113.7	L144 K515	L144-F511 HydrophobicContact CD1-CD2 3.83Å; L144-F511 HydrophobicContact CD1-CE2 2.99Å; L144-F511 HydrophobicContact CD1-CZ 3.49Å; L144-F511 VanDerWaalsContact CD1-CZ 3.49Å; L144-F511 HydrophobicContact CG-CE2 4.45Å; F511-K515 VanDerWaalsContact O-CB 3.32Å; F511-K515 WeakPolarHBondContact O-CB 3.48Å; F511-K515 PolarHBondContact O-N 2.9Å
512	R	82.7	Confident	80.4	Confident	198 Å²	198	68.4 Å²	68.4	75%	0.747	32%	0.323	S	S	*	.	H	α-helix	trans	-70.5	-51.1	-178.5	-66.1	-176.9	-177.2	-161	1.4	109.9	D510 M514 K515 D516	D510-R512 VanDerWaalsContact C-N 3.34Å; D510-R512 PolarHBondContact O-N 2.8Å; D510-R512 PolarHBondContact OD1-N 2.83Å; R512-M514 VanDerWaalsContact C-N 3.31Å; R512-M514 PolarHBondContact O-N 2.94Å; R512-K515 WeakPolarHBondContact O-CA 3.42Å; R512-K515 WeakPolarHBondContact O-CB 3.3Å; R512-K515 PolarHBondContact O-N 3.18Å; R512-D516 PolarHBondContact O-N 2.88Å
513	A	82.2	Confident	80.8	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-43.5	178.1	0	0	0	0	0	112.1	H355 M507 D510 K515 D516 L517	H355-A513 WeakPolarHBondContact CE1-CB 3.46Å; M507-A513 HydrophobicContact CE-CB 3.67Å; M507-A513 WeakPolarHBondContact CE-O 3.31Å; M507-A513 HydrophobicContact CG-CB 3.49Å; M507-A513 VanDerWaalsContact CG-CB 3.49Å; M507-A513 HydrophobicContact SD-CB 4.37Å; D510-A513 HydrophobicContact CB-CB 4Å; A513-K515 VanDerWaalsContact C-N 3.34Å; A513-K515 PolarHBondContact O-N 2.85Å; A513-D516 PolarHBondContact O-N 2.86Å; A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 PolarHBondContact O-N 2.89Å; A513-L517 VanDerWaalsContact O-N 3.07Å
514	M	83.2	Confident	81.4	Confident	27 Å²	27	69.7 Å²	69.7	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-34.5	174.5	-80.5	-59.1	-39.4	0	0	113.6	W140 I503 M507 D510 R512 L517 A518	W140-M514 HydrophobicContact CE3-CE 3.79Å; W140-M514 HydrophobicContact CH2-CE 3.96Å; W140-M514 HydrophobicContact CH2-SD 4.24Å; W140-M514 HydrophobicContact CZ3-CE 3.22Å; W140-M514 HydrophobicContact CZ3-SD 3.99Å; I503-M514 HydrophobicContact CD1-CE 4.34Å; I503-M514 HydrophobicContact CD1-SD 4.33Å; I503-M514 HydrophobicContact CG2-SD 3.85Å; M507-M514 WeakPolarHBondContact O-CG 3.48Å; D510-M514 WeakPolarHBondContact O-CB 3.32Å; D510-M514 WeakPolarHBondContact O-CG 3.42Å; D510-M514 PolarHBondContact O-N 2.81Å; D510-M514 VanDerWaalsContact O-N 3.08Å; R512-M514 VanDerWaalsContact C-N 3.31Å; R512-M514 PolarHBondContact O-N 2.94Å; M514-L517 HydrophobicContact CE-CD2 4.38Å; M514-L517 HydrophobicContact SD-CD2 4.36Å; M514-A518 WeakPolarHBondContact O-CB 3.29Å; M514-A518 PolarHBondContact O-N 3.42Å
515	K	84.6	Confident	82.2	Confident	111 Å²	111	68.8 Å²	68.8	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-46.1	176.5	-176.8	-174.3	174.9	-170.3	0	110.9	F511 R512 A513 L517 A518 Q519	F511-K515 VanDerWaalsContact O-CB 3.32Å; F511-K515 WeakPolarHBondContact O-CB 3.48Å; F511-K515 PolarHBondContact O-N 2.9Å; R512-K515 WeakPolarHBondContact O-CA 3.42Å; R512-K515 WeakPolarHBondContact O-CB 3.3Å; R512-K515 PolarHBondContact O-N 3.18Å; A513-K515 VanDerWaalsContact C-N 3.34Å; A513-K515 PolarHBondContact O-N 2.85Å; K515-L517 VanDerWaalsContact C-N 3.33Å; K515-L517 PolarHBondContact O-N 2.86Å; K515-A518 PolarHBondContact O-N 2.95Å; K515-Q519 WeakPolarHBondContact O-CG 3.4Å; K515-Q519 PolarHBondContact O-N 3.44Å
516	D	83.7	Confident	83.1	Confident	47 Å²	47	71.4 Å²	71.4	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-44.4	178.6	-58	-21.5	0	0	0	110.8	H355 R512 A513 Q519	H355-D516 IonicContact CE1-OD2 3.93Å; H355-D516 IonicContact NE2-OD2 3.03Å; H355-D516 PolarHBondContact NE2-OD2 3.09Å; R512-D516 PolarHBondContact O-N 2.88Å; A513-D516 PolarHBondContact O-N 2.86Å; D516-Q519 PolarHBondContact O-N 3.24Å
517	L	85.5	Confident	84	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.8	-177.5	64.1	0	0	0	112.1	L352 L357 I359 V384 I503 M507 A513 M514 K515 Q519 Q520 I521	L352-L517 HydrophobicContact CD1-CD1 3.94Å; L357-L517 HydrophobicContact CD1-CD1 4.49Å; I359-L517 HydrophobicContact CD1-CD1 3.59Å; I359-L517 HydrophobicContact CG1-CD1 4.14Å; V384-L517 HydrophobicContact CG2-CD1 4.15Å; I503-L517 HydrophobicContact CD1-CD2 3.43Å; I503-L517 VanDerWaalsContact CD1-CD2 3.43Å; I503-L517 HydrophobicContact CG1-CD2 3.6Å; I503-L517 HydrophobicContact CG2-CD2 4.24Å; M507-L517 HydrophobicContact CE-CB 3.94Å; M507-L517 HydrophobicContact CE-CD2 4.12Å; A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 PolarHBondContact O-N 2.89Å; A513-L517 VanDerWaalsContact O-N 3.07Å; M514-L517 HydrophobicContact CE-CD2 4.38Å; M514-L517 HydrophobicContact SD-CD2 4.36Å; K515-L517 VanDerWaalsContact C-N 3.33Å; K515-L517 PolarHBondContact O-N 2.86Å; L517-Q519 VanDerWaalsContact C-N 3.32Å; L517-Q519 PolarHBondContact O-N 2.81Å; L517-Q520 PolarHBondContact O-N 2.81Å; L517-I521 HydrophobicContact CD1-CD1 3.55Å; L517-I521 HydrophobicContact CD1-CG1 4.24Å; L517-I521 HydrophobicContact CD2-CD1 4.34Å; L517-I521 HydrophobicContact CG-CD1 3.72Å; L517-I521 WeakPolarHBondContact O-CG1 3.44Å; L517-I521 PolarHBondContact O-N 2.94Å; L517-I521 VanDerWaalsContact O-N 3.13Å
518	A	83.4	Confident	84.8	Confident	25 Å²	25	68 Å²	68	21%	0.207	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-35.1	-179.1	0	0	0	0	0	112.3	M514 K515 Q520 I521 N522	M514-A518 WeakPolarHBondContact O-CB 3.29Å; M514-A518 PolarHBondContact O-N 3.42Å; K515-A518 PolarHBondContact O-N 2.95Å; A518-Q520 PolarHBondContact O-N 3.36Å; A518-I521 PolarHBondContact O-N 2.93Å; A518-N522 WeakPolarHBondContact O-CB 3.4Å; A518-N522 PolarHBondContact O-N 2.79Å
519	Q	83.3	Confident	85.6	Confident	122 Å²	122	66.2 Å²	66.2	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-60.9	-31	175.1	-77.5	178.5	-16.2	0	0	112.8	K515 D516 L517	K515-Q519 WeakPolarHBondContact O-CG 3.4Å; K515-Q519 PolarHBondContact O-N 3.44Å; D516-Q519 PolarHBondContact O-N 3.24Å; L517-Q519 VanDerWaalsContact C-N 3.32Å; L517-Q519 PolarHBondContact O-N 2.81Å
520	Q	81.9	Confident	86.6	Confident	77 Å²	77	61.2 Å²	61.2	36%	0.36	30%	0.295	S	S	.	.	H	α-helix	trans	-84	-35.1	178.5	-57.8	-56.6	-32.9	0	0	112.8	L352 I359 L517 A518	L352-Q520 HydrophobicContact CD2-CG 4.39Å; I359-Q520 HydrophobicContact CD1-CB 3.84Å; I359-Q520 HydrophobicContact CD1-CG 4.33Å; L517-Q520 PolarHBondContact O-N 2.81Å; A518-Q520 PolarHBondContact O-N 3.36Å
521	I	84.3	Confident	87.3	Confident	32 Å²	32	58.9 Å²	58.9	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-90.8	-35	-172.8	-62.6	178.4	0	0	0	112.5	I359 H382 V384 L517 A518 L523	I359-I521 HydrophobicContact CD1-CG1 4.41Å; I359-I521 HydrophobicContact CG2-CG1 4.41Å; H382-I521 HydrophobicContact CB-CD1 4.45Å; H382-I521 HydrophobicContact CB-CG1 4.05Å; H382-I521 HydrophobicContact CB-CG2 4.14Å; V384-I521 HydrophobicContact CG2-CD1 3.63Å; L517-I521 HydrophobicContact CD1-CD1 3.55Å; L517-I521 HydrophobicContact CD1-CG1 4.24Å; L517-I521 HydrophobicContact CD2-CD1 4.34Å; L517-I521 HydrophobicContact CG-CD1 3.72Å; L517-I521 WeakPolarHBondContact O-CG1 3.44Å; L517-I521 PolarHBondContact O-N 2.94Å; L517-I521 VanDerWaalsContact O-N 3.13Å; A518-I521 PolarHBondContact O-N 2.93Å; I521-L523 PolarHBondContact O-N 2.89Å; I521-L523 VanDerWaalsContact O-N 3.13Å
522	N	85.4	Confident	88.2	Confident	47 Å²	47	53 Å²	53	25%	0.251	26%	0.26	S	S	.	.	S	Bend	trans	-86.4	88.2	-174.5	-66.2	-15.9	0	0	0	110.5	A518	A518-N522 WeakPolarHBondContact O-CB 3.4Å; A518-N522 PolarHBondContact O-N 2.79Å
523	L	89.4	Confident	88.7	Confident	29 Å²	29	47.1 Å²	47.1	15%	0.152	24%	0.241	C	C	.	.			trans	-74.1	133	179.7	-56.5	-177.1	0	0	0	111.8	V380 I521 Q527 H528 G899 C900	V380-L523 HydrophobicContact CB-CD1 3.95Å; V380-L523 HydrophobicContact CG1-CD1 3.55Å; V380-L523 HydrophobicContact CG2-CD1 4.24Å; I521-L523 PolarHBondContact O-N 2.89Å; I521-L523 VanDerWaalsContact O-N 3.13Å; L523-Q527 HydrophobicContact CB-CB 4.11Å; L523-Q527 HydrophobicContact CD2-CB 4.28Å; L523-H528 HydrophobicContact CB-CB 4.08Å; L523-G899 CarbonylContact O-C 3.53Å; L523-G899 VanDerWaalsContact O-CA 3.28Å; L523-G899 WeakPolarHBondContact O-CA 3.27Å; L523-C900 PolarHBondContact O-SG 3.35Å
524	S	91.6	Very high	89.3	Confident	41 Å²	41	49.9 Å²	49.9	29%	0.287	26%	0.26	S	S	.	.			trans	-62.1	157.9	165.8	62.6	0	0	0	0	111.2	K526 Q527 H528	S524-K526 PolarHBondContact O-N 3.34Å; S524-K526 VanDerWaalsContact O-N 3.17Å; S524-Q527 PolarHBondContact O-N 3.08Å; S524-Q527 VanDerWaalsContact OG-CD 3.31Å; S524-Q527 VanDerWaalsContact OG-CG 3.32Å; S524-Q527 WeakPolarHBondContact OG-CG 3.38Å; S524-Q527 PolarHBondContact OG-N 3.29Å; S524-Q527 PolarHBondContact OG-OE1 2.83Å; S524-H528 WeakPolarHBondContact O-CB 3.39Å; S524-H528 PolarHBondContact O-N 2.86Å
525	P	92.7	Very high	89.9	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-47.3	-43.4	174.6	-33.8	39.5	0	0	0	113.9	H529 Y861 F868	P525-H529 WeakPolarHBondContact O-CB 3.43Å; P525-H529 PolarHBondContact O-N 3.33Å; P525-Y861 HydrophobicContact CB-CD1 3.82Å; P525-Y861 HydrophobicContact CB-CE1 4.41Å; P525-F868 HydrophobicContact CB-CB 4.21Å
526	K	92.3	Very high	90.4	Very high	125 Å²	125	44 Å²	44	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-52.2	175.9	-177.4	179.9	178.4	179.1	0	112.2	S524 H528 H529 S530	S524-K526 PolarHBondContact O-N 3.34Å; S524-K526 VanDerWaalsContact O-N 3.17Å; K526-H528 VanDerWaalsContact C-N 3.33Å; K526-H528 PolarHBondContact O-N 3.07Å; K526-H529 PolarHBondContact O-N 3.23Å; K526-S530 PolarHBondContact O-N 3.04Å; K526-S530 PolarHBondContact O-OG 3.43Å; K526-S530 VanDerWaalsContact O-OG 3.12Å
527	Q	92.9	Very high	91	Very high	105 Å²	105	46.2 Å²	46.2	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-39	-179.2	-72.2	165.1	-45.1	0	0	112.1	L523 S524 S530 A531	L523-Q527 HydrophobicContact CB-CB 4.11Å; L523-Q527 HydrophobicContact CD2-CB 4.28Å; S524-Q527 PolarHBondContact O-N 3.08Å; S524-Q527 VanDerWaalsContact OG-CD 3.31Å; S524-Q527 VanDerWaalsContact OG-CG 3.32Å; S524-Q527 WeakPolarHBondContact OG-CG 3.38Å; S524-Q527 PolarHBondContact OG-N 3.29Å; S524-Q527 PolarHBondContact OG-OE1 2.83Å; Q527-S530 PolarHBondContact O-N 2.62Å; Q527-A531 PolarHBondContact O-N 2.77Å
528	H	94.1	Very high	91.4	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-46.9	178	-171.9	-74.2	0	0	0	111.2	D379 V380 L523 S524 K526 S530 A531 L532 Y861 C900	D379-H528 IonicContact OD1-CD2 3.99Å; D379-H528 IonicContact OD1-CE1 3.84Å; D379-H528 PolarHBondContact OD1-CE1 3.37Å; D379-H528 IonicContact OD1-NE2 3.28Å; D379-H528 PolarHBondContact OD1-NE2 3.44Å; V380-H528 PolarHBondContact N-NE2 3.25Å; L523-H528 HydrophobicContact CB-CB 4.08Å; S524-H528 WeakPolarHBondContact O-CB 3.39Å; S524-H528 PolarHBondContact O-N 2.86Å; K526-H528 VanDerWaalsContact C-N 3.33Å; K526-H528 PolarHBondContact O-N 3.07Å; H528-S530 PolarHBondContact O-N 3.24Å; H528-A531 PolarHBondContact O-N 2.65Å; H528-L532 PolarHBondContact O-N 2.85Å; H528-L532 VanDerWaalsContact O-N 3.1Å; H528-Y861 PolarHBondContact CE1-OH 2.92Å; H528-Y861 AromaticContact ND1-CZ 3.77Å; H528-Y861 PolarHBondContact ND1-OH 2.93Å; H528-C900 WeakPolarHBondContact CB-SG 3.02Å
529	H	94.2	Very high	92	Very high	27 Å²	27	48.8 Å²	48.8	13%	0.125	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-47.2	173.9	172.5	-109.5	0	0	0	112.3	P525 K526 A531 L532 E533 D559 F868	P525-H529 WeakPolarHBondContact O-CB 3.43Å; P525-H529 PolarHBondContact O-N 3.33Å; K526-H529 PolarHBondContact O-N 3.23Å; H529-A531 VanDerWaalsContact C-N 3.28Å; H529-A531 PolarHBondContact O-N 3.07Å; H529-L532 PolarHBondContact O-N 2.84Å; H529-L532 VanDerWaalsContact O-N 3.1Å; H529-E533 PolarHBondContact O-N 2.82Å; H529-D559 IonicContact CD2-OD1 3.52Å; H529-D559 IonicContact CE1-OD1 2.88Å; H529-D559 IonicContact NE2-OD1 3.62Å; H529-D559 PolarHBondContact NE2-OD1 2.77Å; H529-F868 HydrophobicContact CB-CD2 3.82Å; H529-F868 HydrophobicContact CB-CE2 4.43Å; H529-F868 AromaticContact CD2-CD2 3.8Å; H529-F868 AromaticContact CD2-CE2 3.52Å; H529-F868 AromaticContact CE1-CE2 3.83Å; H529-F868 AromaticContact CG-CD2 3.45Å; H529-F868 VanDerWaalsContact CG-CD2 3.45Å; H529-F868 AromaticContact CG-CE2 3.67Å; H529-F868 AromaticContact ND1-CD2 3.65Å; H529-F868 AromaticContact ND1-CE2 3.86Å; H529-F868 AromaticContact NE2-CE2 3.62Å
530	S	94.3	Very high	92.5	Very high	56 Å²	56	46.4 Å²	46.4	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-34.5	177.1	-61.2	0	0	0	0	113.3	K526 Q527 H528 E533 C534	K526-S530 PolarHBondContact O-N 3.04Å; K526-S530 PolarHBondContact O-OG 3.43Å; K526-S530 VanDerWaalsContact O-OG 3.12Å; Q527-S530 PolarHBondContact O-N 2.62Å; H528-S530 PolarHBondContact O-N 3.24Å; S530-E533 PolarHBondContact O-N 3.01Å; S530-C534 WeakPolarHBondContact O-CB 3.5Å; S530-C534 PolarHBondContact O-N 3.11Å
531	A	94.3	Very high	93.1	Very high	23 Å²	23	50.8 Å²	50.8	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-39.8	174.7	0	0	0	0	0	111.9	Y363 V380 Q527 H528 H529 C534 L535	Y363-A531 PolarHBondContact OH-O 3.43Å; Y363-A531 VanDerWaalsContact OH-O 3.07Å; V380-A531 HydrophobicContact CG1-CB 4.44Å; V380-A531 HydrophobicContact CG2-CB 3.67Å; Q527-A531 PolarHBondContact O-N 2.77Å; H528-A531 PolarHBondContact O-N 2.65Å; H529-A531 VanDerWaalsContact C-N 3.28Å; H529-A531 PolarHBondContact O-N 3.07Å; A531-C534 WeakPolarHBondContact O-CB 3.28Å; A531-C534 PolarHBondContact O-N 2.78Å; A531-L535 PolarHBondContact O-N 3.4Å; A531-L535 VanDerWaalsContact O-N 3.07Å
532	L	95.4	Very high	93.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-41.1	173.6	-63.3	-178.4	0	0	0	111.8	N229 Y363 A378 V380 H528 H529 C534 L535 L536 V560	N229-L532 HydrophobicContact CB-CD1 3.81Å; Y363-L532 HydrophobicContact CD1-CD2 4.29Å; Y363-L532 HydrophobicContact CE1-CD2 4.46Å; A378-L532 HydrophobicContact CB-CD2 3.94Å; V380-L532 HydrophobicContact CG2-CD2 4.11Å; V380-L532 HydrophobicContact CG2-CG 4.41Å; H528-L532 PolarHBondContact O-N 2.85Å; H528-L532 VanDerWaalsContact O-N 3.1Å; H529-L532 PolarHBondContact O-N 2.84Å; H529-L532 VanDerWaalsContact O-N 3.1Å; L532-C534 VanDerWaalsContact C-N 3.31Å; L532-C534 PolarHBondContact O-N 2.92Å; L532-L535 WeakPolarHBondContact O-CB 3.25Å; L532-L535 PolarHBondContact O-N 3.12Å; L532-L536 WeakPolarHBondContact O-CG 3.48Å; L532-L536 PolarHBondContact O-N 3.45Å; L532-V560 HydrophobicContact CD1-CG1 4.01Å
533	E	94.6	Very high	94.1	Very high	76 Å²	76	56.6 Å²	56.6	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-43.2	174.5	-171.8	179.1	-157.1	0	0	111.1	H529 S530 L535 L536 Q537	H529-E533 PolarHBondContact O-N 2.82Å; S530-E533 PolarHBondContact O-N 3.01Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 2.83Å; E533-L536 PolarHBondContact O-N 2.91Å; E533-Q537 WeakPolarHBondContact O-CB 3.4Å; E533-Q537 VanDerWaalsContact O-CG 3.31Å; E533-Q537 WeakPolarHBondContact O-CG 3.29Å; E533-Q537 PolarHBondContact O-N 2.77Å
534	C	94.5	Very high	94.3	Very high	58 Å²	58	57.7 Å²	57.7	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-42.5	174.2	-177.3	0	0	0	0	112.3	S530 A531 L532 Q537 R538	S530-C534 WeakPolarHBondContact O-CB 3.5Å; S530-C534 PolarHBondContact O-N 3.11Å; A531-C534 WeakPolarHBondContact O-CB 3.28Å; A531-C534 PolarHBondContact O-N 2.78Å; L532-C534 VanDerWaalsContact C-N 3.31Å; L532-C534 PolarHBondContact O-N 2.92Å; C534-Q537 PolarHBondContact O-N 3.33Å; C534-R538 WeakPolarHBondContact O-CG 3.35Å; C534-R538 PolarHBondContact O-N 3.5Å
535	L	95.2	Very high	94.4	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-47.3	174.4	175.6	63.4	0	0	0	111.8	M331 L334 Y363 A531 L532 E533 Q537 R538 I539	M331-L535 HydrophobicContact CE-CD1 4.04Å; M331-L535 HydrophobicContact SD-CD1 4.09Å; L334-L535 HydrophobicContact CD1-CD1 4.27Å; Y363-L535 HydrophobicContact CD1-CB 4.43Å; Y363-L535 HydrophobicContact CD1-CD2 3.88Å; Y363-L535 HydrophobicContact CD2-CD1 3.99Å; Y363-L535 HydrophobicContact CD2-CD2 4.1Å; Y363-L535 HydrophobicContact CD2-CG 4.45Å; Y363-L535 HydrophobicContact CE1-CB 3.94Å; Y363-L535 HydrophobicContact CE1-CD2 4.25Å; Y363-L535 HydrophobicContact CE2-CB 4.13Å; Y363-L535 HydrophobicContact CE2-CD1 3.99Å; Y363-L535 HydrophobicContact CE2-CD2 4.47Å; Y363-L535 HydrophobicContact CE2-CG 4.42Å; Y363-L535 HydrophobicContact CG-CD2 3.8Å; A531-L535 PolarHBondContact O-N 3.4Å; A531-L535 VanDerWaalsContact O-N 3.07Å; L532-L535 WeakPolarHBondContact O-CB 3.25Å; L532-L535 PolarHBondContact O-N 3.12Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 2.83Å; L535-Q537 VanDerWaalsContact C-N 3.33Å; L535-Q537 PolarHBondContact O-N 3.19Å; L535-R538 WeakPolarHBondContact O-CB 3.34Å; L535-R538 PolarHBondContact O-N 3.35Å; L535-I539 HydrophobicContact CD1-CD1 4.23Å; L535-I539 HydrophobicContact CD1-CG1 4.43Å; L535-I539 HydrophobicContact CG-CD1 4.13Å; L535-I539 WeakPolarHBondContact O-CG1 3.26Å; L535-I539 PolarHBondContact O-N 2.79Å
536	L	95.6	Very high	94.4	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-40.7	179.9	-65.7	176.3	0	0	0	111.7	I231 L532 E533 I539 A540 L556	I231-L536 HydrophobicContact CG1-CD1 4.04Å; I231-L536 HydrophobicContact CG1-CD2 4.1Å; I231-L536 HydrophobicContact CG2-CD2 4.13Å; L532-L536 WeakPolarHBondContact O-CG 3.48Å; L532-L536 PolarHBondContact O-N 3.45Å; E533-L536 PolarHBondContact O-N 2.91Å; L536-I539 PolarHBondContact O-N 3.48Å; L536-A540 WeakPolarHBondContact O-CB 3.36Å; L536-A540 PolarHBondContact O-N 3.05Å; L536-L556 HydrophobicContact CD2-CD1 4.37Å
537	Q	95.5	Very high	94.3	Very high	93 Å²	93	55.3 Å²	55.3	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-40.4	174.1	-70	178.3	8.9	0	0	112	E533 C534 L535 A540 K541	E533-Q537 WeakPolarHBondContact O-CB 3.4Å; E533-Q537 VanDerWaalsContact O-CG 3.31Å; E533-Q537 WeakPolarHBondContact O-CG 3.29Å; E533-Q537 PolarHBondContact O-N 2.77Å; C534-Q537 PolarHBondContact O-N 3.33Å; L535-Q537 VanDerWaalsContact C-N 3.33Å; L535-Q537 PolarHBondContact O-N 3.19Å; Q537-A540 PolarHBondContact O-N 3.27Å; Q537-K541 WeakPolarHBondContact O-CB 3.3Å; Q537-K541 VanDerWaalsContact O-CG 3.29Å; Q537-K541 WeakPolarHBondContact O-CG 3.25Å; Q537-K541 PolarHBondContact O-N 3.06Å
538	R	94.4	Very high	94.2	Very high	74 Å²	74	50.7 Å²	50.7	28%	0.279	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-42.9	174.1	-78	177.6	69.4	164.7	0.6	111.6	L334 D345 C534 L535 N542	L334-R538 HydrophobicContact CD1-CB 4.38Å; L334-R538 HydrophobicContact CD2-CB 4.37Å; L334-R538 WeakPolarHBondContact CD2-O 3.46Å; L334-R538 PolarHBondContact O-NH2 3.09Å; D345-R538 IonicContact OD2-CZ 2.9Å; D345-R538 IonicContact OD2-NH1 3.06Å; D345-R538 PolarHBondContact OD2-NH1 3.19Å; D345-R538 IonicContact OD2-NH2 2.99Å; D345-R538 PolarHBondContact OD2-NH2 3.29Å; C534-R538 WeakPolarHBondContact O-CG 3.35Å; C534-R538 PolarHBondContact O-N 3.5Å; L535-R538 WeakPolarHBondContact O-CB 3.34Å; L535-R538 PolarHBondContact O-N 3.35Å; R538-N542 PolarHBondContact O-N 3.45Å
539	I	95.3	Very high	94.1	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-48.9	176.1	-65.8	167.2	0	0	0	110.2	F327 V330 L334 L535 L536 K541 N542 T546 L549 L556	F327-I539 HydrophobicContact CE2-CD1 4.2Å; F327-I539 HydrophobicContact CZ-CD1 4.27Å; V330-I539 HydrophobicContact CG1-CD1 4.37Å; V330-I539 HydrophobicContact CG1-CG1 4.11Å; V330-I539 HydrophobicContact CG1-CG2 4.24Å; L334-I539 HydrophobicContact CD1-CG1 3.65Å; L535-I539 HydrophobicContact CD1-CD1 4.23Å; L535-I539 HydrophobicContact CD1-CG1 4.43Å; L535-I539 HydrophobicContact CG-CD1 4.13Å; L535-I539 WeakPolarHBondContact O-CG1 3.26Å; L535-I539 PolarHBondContact O-N 2.79Å; L536-I539 PolarHBondContact O-N 3.48Å; I539-K541 PolarHBondContact O-N 2.74Å; I539-N542 PolarHBondContact O-N 3.37Å; I539-T546 PolarHBondContact O-OG1 3.34Å; I539-L549 HydrophobicContact CG2-CD1 4.18Å; I539-L556 HydrophobicContact CD1-CD1 4.01Å; I539-L556 HydrophobicContact CG2-CD1 4.36Å
540	A	94.3	Very high	93.9	Very high	71 Å²	71	53 Å²	53	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-65.5	-34.6	-176.7	0	0	0	0	0	113.5	L536 Q537 N542	L536-A540 WeakPolarHBondContact O-CB 3.36Å; L536-A540 PolarHBondContact O-N 3.05Å; Q537-A540 PolarHBondContact O-N 3.27Å; A540-N542 VanDerWaalsContact C-N 3.34Å
541	K	95.3	Very high	93.6	Very high	170 Å²	170	56 Å²	56	74%	0.739	29%	0.29	S	S	*	.	H	α-helix	trans	-73.8	-22.6	177.2	-73.2	176.2	-178.8	179.3	0	113.3	Q537 I539	Q537-K541 WeakPolarHBondContact O-CB 3.3Å; Q537-K541 VanDerWaalsContact O-CG 3.29Å; Q537-K541 WeakPolarHBondContact O-CG 3.25Å; Q537-K541 PolarHBondContact O-N 3.06Å; I539-K541 PolarHBondContact O-N 2.74Å
542	N	95.9	Very high	93.3	Very high	47 Å²	47	55 Å²	55	25%	0.251	28%	0.281	S	S	.	.			trans	-94	104.2	179.6	-174.2	-44.2	0	0	0	110	L333 L334 R538 I539 A540 A544 A545 T546	L333-N542 PolarHBondContact O-ND2 3.23Å; L333-N542 VanDerWaalsContact O-ND2 3.17Å; L334-N542 HydrophobicContact CD2-CB 3.77Å; R538-N542 PolarHBondContact O-N 3.45Å; I539-N542 PolarHBondContact O-N 3.37Å; A540-N542 VanDerWaalsContact C-N 3.34Å; N542-A544 VanDerWaalsContact C-N 3.32Å; N542-A544 PolarHBondContact O-N 3.48Å; N542-A544 WeakPolarHBondContact OD1-CB 3.38Å; N542-A544 PolarHBondContact OD1-N 3.19Å; N542-A545 HydrophobicContact CB-CB 3.84Å; N542-A545 WeakPolarHBondContact O-CB 3.49Å; N542-A545 PolarHBondContact O-N 3.28Å; N542-A545 PolarHBondContact OD1-N 2.66Å; N542-T546 PolarHBondContact O-N 2.81Å; N542-T546 PolarHBondContact O-OG1 3.32Å
543	E	94.8	Very high	93.1	Very high	154 Å²	154	55 Å²	55	72%	0.72	28%	0.283	S	S	*	.	H	α-helix	trans	-59.2	-40.9	-177.8	-66.9	-175	175.8	0	0	112.6	A545 T546 N547	E543-A545 VanDerWaalsContact C-N 3.32Å; E543-A545 PolarHBondContact O-N 3.12Å; E543-T546 PolarHBondContact O-N 3.23Å; E543-N547 WeakPolarHBondContact O-CB 3.39Å; E543-N547 PolarHBondContact O-N 3.43Å; E543-N547 PolarHBondContact O-ND2 2.98Å; E543-N547 VanDerWaalsContact O-ND2 3.1Å
544	A	93.8	Very high	93	Very high	51 Å²	51	51.5 Å²	51.5	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-41.3	178.6	0	0	0	0	0	111.5	L333 N542 E548	L333-A544 HydrophobicContact CD1-CB 4.24Å; L333-A544 HydrophobicContact CD2-CB 4.41Å; N542-A544 VanDerWaalsContact C-N 3.32Å; N542-A544 PolarHBondContact O-N 3.48Å; N542-A544 WeakPolarHBondContact OD1-CB 3.38Å; N542-A544 PolarHBondContact OD1-N 3.19Å; A544-E548 PolarHBondContact O-N 2.87Å; A544-E548 VanDerWaalsContact O-N 3.08Å
545	A	92.9	Very high	93	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-44	177.8	0	0	0	0	0	111.9	V330 L333 L334 N542 E543 E548 L549	V330-A545 HydrophobicContact CG1-CB 4.1Å; L333-A545 HydrophobicContact CB-CB 4.29Å; L333-A545 HydrophobicContact CD1-CB 4.43Å; L334-A545 HydrophobicContact CD2-CB 4.38Å; N542-A545 HydrophobicContact CB-CB 3.84Å; N542-A545 WeakPolarHBondContact O-CB 3.49Å; N542-A545 PolarHBondContact O-N 3.28Å; N542-A545 PolarHBondContact OD1-N 2.66Å; E543-A545 VanDerWaalsContact C-N 3.32Å; E543-A545 PolarHBondContact O-N 3.12Å; A545-E548 PolarHBondContact O-N 2.9Å; A545-L549 PolarHBondContact O-N 3.45Å
546	T	92.9	Very high	93	Very high	45 Å²	45	55.6 Å²	55.6	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-43.6	176.7	-65.3	0	0	0	0	111.5	I539 N542 E543 E548 L549 M550	I539-T546 PolarHBondContact O-OG1 3.34Å; N542-T546 PolarHBondContact O-N 2.81Å; N542-T546 PolarHBondContact O-OG1 3.32Å; E543-T546 PolarHBondContact O-N 3.23Å; T546-E548 VanDerWaalsContact C-N 3.28Å; T546-E548 PolarHBondContact O-N 2.87Å; T546-L549 PolarHBondContact O-N 2.74Å; T546-M550 HydrophobicContact CG2-CG 4.23Å; T546-M550 WeakPolarHBondContact O-CG 2.9Å; T546-M550 PolarHBondContact O-N 3.12Å
547	N	91.1	Very high	92.9	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-35	177.6	-75.2	-29	0	0	0	112.2	E543 L549 M550 R551	E543-N547 WeakPolarHBondContact O-CB 3.39Å; E543-N547 PolarHBondContact O-N 3.43Å; E543-N547 PolarHBondContact O-ND2 2.98Å; E543-N547 VanDerWaalsContact O-ND2 3.1Å; N547-L549 VanDerWaalsContact C-N 3.31Å; N547-L549 PolarHBondContact O-N 3.34Å; N547-M550 PolarHBondContact O-N 3.36Å; N547-R551 VanDerWaalsContact O-CB 3.29Å; N547-R551 WeakPolarHBondContact O-CB 3.11Å; N547-R551 WeakPolarHBondContact O-CD 3.28Å; N547-R551 WeakPolarHBondContact O-CG 3.32Å; N547-R551 PolarHBondContact O-N 2.9Å
548	E	90.5	Very high	92.7	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-35.8	177	-167.5	62.7	-163.5	0	0	112.5	V326 R329 V330 L333 A544 A545 T546 R551	V326-E548 HydrophobicContact CG1-CG 4.16Å; R329-E548 VanDerWaalsContact CD-OE1 3.27Å; R329-E548 WeakPolarHBondContact CD-OE1 3.47Å; R329-E548 HydrophobicContact CG-CG 4.31Å; R329-E548 IonicContact CZ-OE1 3.22Å; R329-E548 IonicContact CZ-OE2 3.88Å; R329-E548 IonicContact NE-OE1 3.09Å; R329-E548 IonicContact NE-OE2 3.46Å; R329-E548 VanDerWaalsContact NH1-CD 3.29Å; R329-E548 IonicContact NH1-OE1 2.64Å; R329-E548 PolarHBondContact NH1-OE1 3.15Å; R329-E548 IonicContact NH1-OE2 3.22Å; R329-E548 PolarHBondContact NH1-OE2 3.08Å; R329-E548 IonicContact NH2-OE2 3.65Å; V330-E548 HydrophobicContact CG2-CB 4.27Å; V330-E548 HydrophobicContact CG2-CG 4.42Å; L333-E548 HydrophobicContact CD1-CB 4.4Å; A544-E548 PolarHBondContact O-N 2.87Å; A544-E548 VanDerWaalsContact O-N 3.08Å; A545-E548 PolarHBondContact O-N 2.9Å; T546-E548 VanDerWaalsContact C-N 3.28Å; T546-E548 PolarHBondContact O-N 2.87Å; E548-R551 IonicContact OE2-NH1 2.75Å
549	L	91.4	Very high	92.7	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-75.6	-46.8	174.2	-68.2	169.2	0	0	0	111.9	V326 V330 I539 A545 T546 N547 R551 W552 G553 L554 L556	V326-L549 HydrophobicContact CG1-CD2 4.19Å; V330-L549 HydrophobicContact CG2-CD1 4.23Å; V330-L549 HydrophobicContact CG2-CD2 3.98Å; V330-L549 HydrophobicContact CG2-CG 3.75Å; I539-L549 HydrophobicContact CG2-CD1 4.18Å; A545-L549 PolarHBondContact O-N 3.45Å; T546-L549 PolarHBondContact O-N 2.74Å; N547-L549 VanDerWaalsContact C-N 3.31Å; N547-L549 PolarHBondContact O-N 3.34Å; L549-R551 VanDerWaalsContact C-N 3.26Å; L549-R551 PolarHBondContact O-N 3.31Å; L549-W552 PolarHBondContact O-N 3.16Å; L549-G553 PolarHBondContact O-N 2.75Å; L549-L554 CarbonylContact C-O 3.45Å; L549-L554 HydrophobicContact CB-CB 4.29Å; L549-L554 WeakPolarHBondContact CB-O 3.19Å; L549-L554 HydrophobicContact CD2-CB 4.41Å; L549-L554 HydrophobicContact CD2-CD1 4.31Å; L549-L554 PolarHBondContact O-N 2.73Å; L549-L556 HydrophobicContact CD1-CD1 3.82Å; L549-L556 HydrophobicContact CD1-CG 4.03Å
550	M	90.4	Very high	92.6	Very high	77 Å²	77	61.7 Å²	61.7	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-33.4	-178	-77.1	-62.4	-68.1	0	0	112.8	T546 N547 W552 G553 R555	T546-M550 HydrophobicContact CG2-CG 4.23Å; T546-M550 WeakPolarHBondContact O-CG 2.9Å; T546-M550 PolarHBondContact O-N 3.12Å; N547-M550 PolarHBondContact O-N 3.36Å; M550-W552 PolarHBondContact O-N 2.94Å; M550-G553 WeakPolarHBondContact O-CA 3.45Å; M550-G553 PolarHBondContact O-N 2.89Å; M550-R555 HydrophobicContact SD-CB 4.44Å
551	R	87.7	Confident	92.6	Very high	119 Å²	119	59.6 Å²	59.6	45%	0.449	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.1	172.6	-85.3	168.8	-175	-166.5	1.5	114.1	V271 N547 E548 L549	V271-R551 HydrophobicContact CB-CB 4.5Å; V271-R551 HydrophobicContact CG1-CB 4.11Å; V271-R551 HydrophobicContact CG2-CB 3.6Å; V271-R551 HydrophobicContact CG2-CG 3.65Å; N547-R551 VanDerWaalsContact O-CB 3.29Å; N547-R551 WeakPolarHBondContact O-CB 3.11Å; N547-R551 WeakPolarHBondContact O-CD 3.28Å; N547-R551 WeakPolarHBondContact O-CG 3.32Å; N547-R551 PolarHBondContact O-N 2.9Å; E548-R551 IonicContact OE2-NH1 2.75Å; L549-R551 VanDerWaalsContact C-N 3.26Å; L549-R551 PolarHBondContact O-N 3.31Å
552	W	88.5	Confident	92.6	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.4	174	-75.9	99.2	0	0	0	113.1	N237 V240 V271 A273 P282 F322 Y323 V326 L549 M550 L554	N237-W552 PolarHBondContact ND2-O 2.94Å; V240-W552 HydrophobicContact CG1-CZ3 4.49Å; V271-W552 HydrophobicContact CG1-CD2 3.91Å; V271-W552 VanDerWaalsContact CG1-CE2 3.4Å; V271-W552 HydrophobicContact CG1-CG 4.13Å; V271-W552 HydrophobicContact CG1-CZ2 3.83Å; V271-W552 VanDerWaalsContact CG1-NE1 3.26Å; A273-W552 HydrophobicContact CB-CH2 3.67Å; A273-W552 HydrophobicContact CB-CZ2 3.76Å; P282-W552 HydrophobicContact CB-CE3 4.34Å; F322-W552 HydrophobicContact CD2-CE3 4.44Å; F322-W552 HydrophobicContact CD2-CH2 4.14Å; F322-W552 HydrophobicContact CD2-CZ2 4.29Å; F322-W552 HydrophobicContact CD2-CZ3 4.22Å; F322-W552 AromaticContact CE2-CD2 3.94Å; F322-W552 HydrophobicContact CE2-CD2 3.94Å; F322-W552 AromaticContact CE2-CE3 3.48Å; F322-W552 HydrophobicContact CE2-CE3 3.48Å; F322-W552 VanDerWaalsContact CE2-CE3 3.48Å; F322-W552 AromaticContact CE2-CH2 3.73Å; F322-W552 HydrophobicContact CE2-CH2 3.73Å; F322-W552 HydrophobicContact CE2-CZ2 4.17Å; F322-W552 AromaticContact CE2-CZ3 3.36Å; F322-W552 HydrophobicContact CE2-CZ3 3.36Å; F322-W552 HydrophobicContact CZ-CE3 4.06Å; F322-W552 HydrophobicContact CZ-CH2 4.31Å; F322-W552 AromaticContact CZ-CZ3 3.73Å; F322-W552 HydrophobicContact CZ-CZ3 3.73Å; Y323-W552 HydrophobicContact CE1-CB 4.41Å; Y323-W552 HydrophobicContact CE1-CE3 4.34Å; V326-W552 HydrophobicContact CG2-CG 4.27Å; L549-W552 PolarHBondContact O-N 3.16Å; M550-W552 PolarHBondContact O-N 2.94Å; W552-L554 HydrophobicContact CB-CD1 4.23Å; W552-L554 HydrophobicContact CB-CG 4.01Å; W552-L554 PolarHBondContact O-N 2.78Å
553	G	89.8	Confident	92.5	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	13.7	-176.9	0	0	0	0	0	114.1	C235 H236 N237 L549 M550	C235-G553 CarbonylContact C-O 3.6Å; C235-G553 WeakPolarHBondContact CA-O 3.22Å; H236-G553 PolarHBondContact N-O 3.07Å; N237-G553 VanDerWaalsContact OD1-CA 3.3Å; N237-G553 WeakPolarHBondContact OD1-CA 3.34Å; L549-G553 PolarHBondContact O-N 2.75Å; M550-G553 WeakPolarHBondContact O-CA 3.45Å; M550-G553 PolarHBondContact O-N 2.89Å
554	L	93	Very high	92.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.7	-175.5	-54.4	-179.4	0	0	0	110.5	I233 Y323 L374 L549 W552	I233-L554 HydrophobicContact CG2-CB 4.03Å; I233-L554 HydrophobicContact CG2-CD2 4Å; Y323-L554 HydrophobicContact CD1-CD1 3.67Å; Y323-L554 HydrophobicContact CD1-CD2 4.49Å; Y323-L554 HydrophobicContact CE1-CD1 3.92Å; Y323-L554 HydrophobicContact CE1-CD2 4.01Å; Y323-L554 HydrophobicContact CE1-CG 4.26Å; Y323-L554 HydrophobicContact CE2-CD2 4.12Å; Y323-L554 HydrophobicContact CG-CD1 4.03Å; L374-L554 HydrophobicContact CD2-CD2 4.31Å; L549-L554 CarbonylContact C-O 3.45Å; L549-L554 HydrophobicContact CB-CB 4.29Å; L549-L554 WeakPolarHBondContact CB-O 3.19Å; L549-L554 HydrophobicContact CD2-CB 4.41Å; L549-L554 HydrophobicContact CD2-CD1 4.31Å; L549-L554 PolarHBondContact O-N 2.73Å; W552-L554 HydrophobicContact CB-CD1 4.23Å; W552-L554 HydrophobicContact CB-CG 4.01Å; W552-L554 PolarHBondContact O-N 2.78Å
555	R	93.9	Very high	92.6	Very high	115 Å²	115	51.4 Å²	51.4	43%	0.434	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.3	172.5	-174.6	-179.6	-67.3	-179.7	-1	110.3	I233 Q234 H236 M550	I233-R555 WeakPolarHBondContact CA-O 3.26Å; Q234-R555 HydrophobicContact CB-CB 4.37Å; Q234-R555 PolarHBondContact N-O 3.25Å; Q234-R555 PolarHBondContact O-N 3.09Å; H236-R555 PolarHBondContact CE1-NE 3.45Å; M550-R555 HydrophobicContact SD-CB 4.44Å
556	L	95.3	Very high	92.8	Very high	30 Å²	30	52.6 Å²	52.6	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	138.4	175.2	-58.8	179.3	0	0	0	110.5	I231 I233 F327 L376 L536 I539 L549	I231-L556 HydrophobicContact CG2-CB 4.14Å; I233-L556 HydrophobicContact CD1-CD2 4.12Å; I233-L556 HydrophobicContact CG1-CD2 3.81Å; F327-L556 HydrophobicContact CE2-CD1 4.38Å; L376-L556 HydrophobicContact CB-CD2 4.4Å; L376-L556 HydrophobicContact CD2-CD1 4.23Å; L376-L556 HydrophobicContact CD2-CD2 4.22Å; L536-L556 HydrophobicContact CD2-CD1 4.37Å; I539-L556 HydrophobicContact CD1-CD1 4.01Å; I539-L556 HydrophobicContact CG2-CD1 4.36Å; L549-L556 HydrophobicContact CD1-CD1 3.82Å; L549-L556 HydrophobicContact CD1-CG 4.03Å
557	Q	94.3	Very high	93	Very high	72 Å²	72	51.1 Å²	51.1	34%	0.336	23%	0.232	S	C	.	.			trans	-64.8	150.8	167.2	-170.2	171	-7.1	0	0	110.5	I231 K232 D559	I231-Q557 HydrophobicContact CG2-CB 4.22Å; I231-Q557 VanDerWaalsContact CG2-O 3.31Å; I231-Q557 WeakPolarHBondContact CG2-O 3.47Å; K232-Q557 HydrophobicContact CB-CB 4.25Å; K232-Q557 VanDerWaalsContact CB-OE1 3.27Å; K232-Q557 PolarHBondContact O-N 2.82Å; Q557-D559 VanDerWaalsContact C-N 3.32Å; Q557-D559 PolarHBondContact O-N 2.92Å
558	K	92.2	Very high	93.2	Very high	195 Å²	195	47.5 Å²	47.5	85%	0.848	21%	0.212	S	C	*	.	S	Bend	trans	-76.8	-14.2	-174.6	-64.6	-176.3	178.3	-179.2	0	114.8
559	D	93	Very high	93.3	Very high	46 Å²	46	49.8 Å²	49.8	25%	0.246	23%	0.228	C	C	.	.	S	Bend	trans	-141.1	167	-176.7	-168.7	21	0	0	0	109.6	H529 Q557 K562	H529-D559 IonicContact CD2-OD1 3.52Å; H529-D559 IonicContact CE1-OD1 2.88Å; H529-D559 IonicContact NE2-OD1 3.62Å; H529-D559 PolarHBondContact NE2-OD1 2.77Å; Q557-D559 VanDerWaalsContact C-N 3.32Å; Q557-D559 PolarHBondContact O-N 2.92Å; D559-K562 IonicContact OD2-NZ 3.41Å
560	V	93.4	Very high	93.2	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	24%	0.24	C	C	.	.			trans	-57.8	145.2	172.4	-69.7	0	0	0	0	111.8	L228 L532 K562 F868	L228-V560 VanDerWaalsContact O-CB 3.24Å; L228-V560 WeakPolarHBondContact O-CB 3.37Å; L532-V560 HydrophobicContact CD1-CG1 4.01Å; V560-K562 PolarHBondContact O-N 3.22Å; V560-F868 HydrophobicContact CG2-CE2 3.74Å; V560-F868 HydrophobicContact CG2-CZ 3.67Å
561	H	94.6	Very high	93.4	Very high	28 Å²	28	49 Å²	49	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.6	179.6	-164.3	58	0	0	0	110.4	L228 L230 F375 I563	L228-H561 PolarHBondContact N-O 2.93Å; L230-H561 VanDerWaalsContact O-CB 3.26Å; L230-H561 WeakPolarHBondContact O-CB 3.46Å; L230-H561 PolarHBondContact O-N 2.61Å; F375-H561 HydrophobicContact CE1-CB 4.03Å; F375-H561 AromaticContact CE1-CD2 3.58Å; F375-H561 AromaticContact CE1-CG 3.64Å; F375-H561 AromaticContact CZ-CD2 3.8Å; F375-H561 AromaticContact CZ-NE2 3.9Å; H561-I563 VanDerWaalsContact CD2-CG2 3.49Å; H561-I563 WeakPolarHBondContact CD2-CG2 3.25Å
562	K	94.5	Very high	93.7	Very high	113 Å²	113	48.8 Å²	48.8	49%	0.491	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.3	176.3	-63.1	177.5	-173.8	173.1	0	109.2	L226 D559 V560	L226-K562 CarbonylContact O-C 3.48Å; L226-K562 VanDerWaalsContact O-CA 3.23Å; L226-K562 WeakPolarHBondContact O-CA 3.28Å; D559-K562 IonicContact OD2-NZ 3.41Å; V560-K562 PolarHBondContact O-N 3.22Å
563	I	94.8	Very high	94.1	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.8	179.4	61.8	159	0	0	0	109.9	L226 L228 H561 V877 T880	L226-I563 HydrophobicContact CB-CG1 4.14Å; L226-I563 PolarHBondContact N-O 3.42Å; L226-I563 PolarHBondContact O-N 2.74Å; L228-I563 HydrophobicContact CD1-CB 4.41Å; L228-I563 HydrophobicContact CD1-CD1 3.61Å; L228-I563 HydrophobicContact CD1-CG1 3.7Å; L228-I563 HydrophobicContact CD1-CG2 3.82Å; L228-I563 HydrophobicContact CD2-CD1 4.25Å; L228-I563 HydrophobicContact CG-CD1 4.18Å; L228-I563 HydrophobicContact CG-CG1 4.09Å; H561-I563 VanDerWaalsContact CD2-CG2 3.49Å; H561-I563 WeakPolarHBondContact CD2-CG2 3.25Å; I563-V877 HydrophobicContact CD1-CB 4.3Å; I563-V877 HydrophobicContact CD1-CG1 3.36Å; I563-V877 HydrophobicContact CD1-CG2 3.91Å; I563-T880 HydrophobicContact CG2-CG2 3.78Å
564	E	95.3	Very high	94.4	Very high	120 Å²	120	50.1 Å²	50.1	56%	0.561	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.3	164	-163	173.3	137.9	0	0	108.4	P223 H879	P223-E564 HydrophobicContact CB-CG 4.07Å; P223-E564 WeakPolarHBondContact CB-OE1 3.2Å; E564-H879 PolarHBondContact O-CE1 3.45Å; E564-H879 PolarHBondContact O-NE2 3.37Å
565	G	95.8	Very high	94.5	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-172.7	167.1	0	0	0	0	0	109.8	P223 Q224	P223-G565 CarbonylContact C-O 3.5Å; P223-G565 WeakPolarHBondContact CA-O 3.46Å; Q224-G565 PolarHBondContact N-O 3.42Å; Q224-G565 PolarHBondContact O-N 3.04Å
566	R	96.6	Very high	94.5	Very high	26 Å²	26	51.6 Å²	51.6	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.9	179	-66.4	175.5	-68.6	106.2	2.4	111.5	G218 K220 T222 T875 V876 D878 D918	G218-R566 VanDerWaalsContact O-CZ 3.25Å; G218-R566 PolarHBondContact O-NE 2.85Å; G218-R566 VanDerWaalsContact O-NE 3.15Å; G218-R566 PolarHBondContact O-NH2 2.79Å; K220-R566 PolarHBondContact O-NH1 2.78Å; T222-R566 CarbonylContact O-C 3.59Å; T222-R566 WeakPolarHBondContact O-CA 3.47Å; R566-T875 CarbonylContact O-C 3.58Å; R566-T875 WeakPolarHBondContact O-CA 3.23Å; R566-V876 PolarHBondContact N-O 2.64Å; R566-V876 PolarHBondContact O-N 2.84Å; R566-D878 IonicContact CZ-OD2 3.74Å; R566-D878 IonicContact NH2-OD1 3.55Å; R566-D878 IonicContact NH2-OD2 3.8Å; R566-D878 PolarHBondContact NH2-OD2 3.28Å; R566-D918 IonicContact NH1-OD1 3.77Å
567	V	95.9	Very high	94.4	Very high	14 Å²	14	56.2 Å²	56.2	9%	0.085	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.2	168.7	-173.4	0	0	0	0	108.4	G221 T222 Q224 T872	G221-V567 CarbonylContact C-O 3.56Å; G221-V567 WeakPolarHBondContact CA-O 3.45Å; T222-V567 PolarHBondContact N-O 2.85Å; T222-V567 PolarHBondContact O-N 2.89Å; Q224-V567 HydrophobicContact CB-CG2 4.22Å; V567-T872 WeakPolarHBondContact CG2-OG1 3.41Å
568	L	95.6	Very high	94.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.5	149.2	175.9	-67.4	179.6	0	0	0	111	G874 V876 L891 Q921 R922 F925	L568-G874 PolarHBondContact N-O 2.84Å; L568-V876 HydrophobicContact CD1-CG2 3.69Å; L568-V876 HydrophobicContact CD2-CG2 4.34Å; L568-V876 HydrophobicContact CG-CG2 3.73Å; L568-L891 HydrophobicContact CD1-CD1 4.26Å; L568-Q921 HydrophobicContact CD1-CB 4.43Å; L568-R922 HydrophobicContact CD1-CG 4.49Å; L568-R922 HydrophobicContact CD2-CG 4.08Å; L568-F925 HydrophobicContact CB-CD1 4.01Å; L568-F925 HydrophobicContact CB-CE1 4.29Å; L568-F925 HydrophobicContact CD1-CB 3.71Å; L568-F925 HydrophobicContact CD1-CD1 4.05Å; L568-F925 HydrophobicContact CD1-CG 4.03Å
569	P	92.4	Very high	94.4	Very high	56 Å²	56	49 Å²	49	36%	0.364	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-61.2	145	176.1	26.7	-34.8	0	0	0	111.3
570	M	90.8	Very high	94.5	Very high	58 Å²	58	49 Å²	49	29%	0.286	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-63.2	145.1	175.8	-63.6	-59.6	168.1	0	0	111	I581 L586	M570-I581 HydrophobicContact CB-CG2 3.79Å; M570-L586 HydrophobicContact SD-CD2 3.54Å; M570-L586 VanDerWaalsContact SD-CD2 3.54Å; M570-L586 HydrophobicContact SD-CG 4.39Å
571	E	93.1	Very high	94.4	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.042	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-94.9	149.3	-174.9	-65.8	-62.4	171.8	0	0	111.7	T582 V732 R922 F925 K926	E571-T582 PolarHBondContact O-N 2.96Å; E571-V732 HydrophobicContact CB-CG1 4.11Å; E571-V732 HydrophobicContact CG-CG1 4.49Å; E571-R922 IonicContact OE1-NH2 3.74Å; E571-F925 HydrophobicContact CG-CD1 4.17Å; E571-F925 HydrophobicContact CG-CE1 4.26Å; E571-K926 VanDerWaalsContact CD-CG 3.48Å; E571-K926 HydrophobicContact CG-CG 3.92Å; E571-K926 VanDerWaalsContact OE1-CE 3.25Å; E571-K926 WeakPolarHBondContact OE1-CE 3.3Å; E571-K926 WeakPolarHBondContact OE1-CG 3.49Å; E571-K926 IonicContact OE1-NZ 3.91Å; E571-K926 PolarHBondContact OE1-NZ 3.37Å; E571-K926 WeakPolarHBondContact OE2-CE 3.48Å; E571-K926 IonicContact OE2-NZ 3.56Å; E571-K926 PolarHBondContact OE2-NZ 2.71Å
572	R	94.9	Very high	93.9	Very high	115 Å²	115	53.2 Å²	53.2	43%	0.434	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	126	173.5	-176.7	-176.9	-73	150.3	-5.2	109.2	N574 F580 D733	R572-N574 WeakPolarHBondContact CD-OD1 3.16Å; R572-N574 WeakPolarHBondContact CG-OD1 3.41Å; R572-F580 CarbonylContact C-O 3.59Å; R572-F580 WeakPolarHBondContact CA-O 3.35Å; R572-D733 IonicContact NH1-OD2 3.79Å
573	I	96.6	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.7	172.4	-50.9	-54.8	0	0	0	108.5	F575 S579 F580 T582 W588 W730 V732 H929	I573-F575 HydrophobicContact CG2-CD2 4.23Å; I573-F575 HydrophobicContact CG2-CE2 3.61Å; I573-F575 HydrophobicContact CG2-CZ 4.39Å; I573-S579 WeakPolarHBondContact O-CA 3.35Å; I573-S579 WeakPolarHBondContact O-CB 3.39Å; I573-F580 HydrophobicContact CB-CE1 4.11Å; I573-F580 HydrophobicContact CB-CE2 4.04Å; I573-F580 HydrophobicContact CB-CZ 3.71Å; I573-F580 HydrophobicContact CG1-CE2 4.01Å; I573-F580 HydrophobicContact CG1-CZ 4.05Å; I573-F580 HydrophobicContact CG2-CE1 4.35Å; I573-F580 HydrophobicContact CG2-CZ 4.05Å; I573-F580 PolarHBondContact N-O 2.78Å; I573-F580 PolarHBondContact O-N 2.77Å; I573-F580 VanDerWaalsContact O-N 3.1Å; I573-T582 HydrophobicContact CD1-CG2 3.86Å; I573-T582 HydrophobicContact CG1-CG2 3.51Å; I573-W588 HydrophobicContact CD1-CH2 4.03Å; I573-W588 HydrophobicContact CD1-CZ2 4.16Å; I573-W588 HydrophobicContact CD1-CZ3 4.21Å; I573-W588 HydrophobicContact CG1-CD2 4.22Å; I573-W588 HydrophobicContact CG1-CE3 4.24Å; I573-W588 HydrophobicContact CG1-CZ3 4.42Å; I573-W730 HydrophobicContact CG2-CB 3.82Å; I573-W730 HydrophobicContact CG2-CG 3.91Å; I573-V732 HydrophobicContact CD1-CG2 3.8Å; I573-H929 HydrophobicContact CD1-CB 4.2Å
574	N	96.2	Very high	92.4	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.171	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.7	-178.3	-59.8	-31.9	0	0	0	110.2	R572 S579 W730 G731 D733	R572-N574 WeakPolarHBondContact CD-OD1 3.16Å; R572-N574 WeakPolarHBondContact CG-OD1 3.41Å; N574-S579 VanDerWaalsContact OD1-CB 3.28Å; N574-S579 WeakPolarHBondContact OD1-CB 3.36Å; N574-W730 CarbonylContact O-C 3.49Å; N574-W730 VanDerWaalsContact O-CA 3.27Å; N574-W730 WeakPolarHBondContact O-CA 3.46Å; N574-W730 WeakPolarHBondContact O-CB 3.39Å; N574-G731 PolarHBondContact N-O 3.4Å; N574-G731 PolarHBondContact O-N 2.85Å; N574-D733 PolarHBondContact ND2-OD1 3.32Å
575	F	95.7	Very high	91.4	Very high	12 Å²	12	57.7 Å²	57.7	5%	0.053	29%	0.293	C	S	.	.			trans	-103.8	-172.2	166.8	-74	-95.3	0	0	0	108.8	I573 N577 T578 F580 E591 V592 D595 W730	I573-F575 HydrophobicContact CG2-CD2 4.23Å; I573-F575 HydrophobicContact CG2-CE2 3.61Å; I573-F575 HydrophobicContact CG2-CZ 4.39Å; F575-N577 PolarHBondContact O-N 2.82Å; F575-T578 WeakPolarHBondContact CB-O 3.37Å; F575-T578 PolarHBondContact N-O 2.76Å; F575-F580 AromaticContact CD2-CE1 3.88Å; F575-F580 HydrophobicContact CD2-CE1 3.88Å; F575-F580 HydrophobicContact CE2-CD1 4.49Å; F575-F580 AromaticContact CE2-CE1 3.43Å; F575-F580 HydrophobicContact CE2-CE1 3.43Å; F575-F580 VanDerWaalsContact CE2-CE1 3.43Å; F575-F580 AromaticContact CE2-CZ 3.97Å; F575-F580 HydrophobicContact CE2-CZ 3.97Å; F575-F580 HydrophobicContact CZ-CE1 4.48Å; F575-E591 HydrophobicContact CE2-CB 4.43Å; F575-V592 HydrophobicContact CE1-CB 4.49Å; F575-V592 HydrophobicContact CE1-CG2 3.97Å; F575-V592 HydrophobicContact CZ-CB 4.44Å; F575-V592 HydrophobicContact CZ-CG2 3.59Å; F575-D595 HydrophobicContact CB-CB 4.43Å; F575-D595 HydrophobicContact CD1-CB 4.3Å; F575-D595 HydrophobicContact CG-CB 4.24Å; F575-W730 HydrophobicContact CD1-CB 4.48Å; F575-W730 HydrophobicContact CE1-CB 4.13Å; F575-W730 HydrophobicContact CE2-CB 4.15Å; F575-W730 HydrophobicContact CZ-CB 3.95Å
576	K	93.5	Very high	90.7	Very high	136 Å²	136	57.7 Å²	57.7	59%	0.591	29%	0.293	S	S	*	.	S	Bend	trans	-59.6	-48.1	-178.1	-169.7	178	177.7	173.6	0	113	P596 S597	K576-P596 HydrophobicContact CB-CB 4.48Å; K576-P596 HydrophobicContact CB-CG 4.32Å; K576-P596 PolarHBondContact N-O 3.45Å; K576-S597 WeakPolarHBondContact CB-O 3.16Å
577	N	92.4	Very high	90.2	Very high	128 Å²	128	59.3 Å²	59.3	68%	0.684	30%	0.304	S	S	*	.	S	Bend	trans	-119.8	-13.8	-173.8	-61.2	-18	0	0	0	113.2	F575	F575-N577 PolarHBondContact O-N 2.82Å
578	T	93.5	Very high	90	Very high	49 Å²	49	58.7 Å²	58.7	30%	0.301	30%	0.3	S	S	.	.			trans	-124	153.8	-173.7	60.8	0	0	0	0	110.8	F575 D595	F575-T578 WeakPolarHBondContact CB-O 3.37Å; F575-T578 PolarHBondContact N-O 2.76Å; T578-D595 WeakPolarHBondContact OG1-CB 3.23Å; T578-D595 VanDerWaalsContact OG1-CG 3.28Å; T578-D595 PolarHBondContact OG1-OD2 3.4Å
579	S	94.8	Very high	89.7	Confident	67 Å²	67	61.3 Å²	61.3	47%	0.469	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.8	169.3	64.9	0	0	0	0	110.3	I573 N574	I573-S579 WeakPolarHBondContact O-CA 3.35Å; I573-S579 WeakPolarHBondContact O-CB 3.39Å; N574-S579 VanDerWaalsContact OD1-CB 3.28Å; N574-S579 WeakPolarHBondContact OD1-CB 3.36Å
580	F	93.8	Very high	89.5	Confident	46 Å²	46	66.1 Å²	66.1	20%	0.202	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.1	177	62	-88.4	0	0	0	110.9	R572 I573 F575 W588 E591	R572-F580 CarbonylContact C-O 3.59Å; R572-F580 WeakPolarHBondContact CA-O 3.35Å; I573-F580 HydrophobicContact CB-CE1 4.11Å; I573-F580 HydrophobicContact CB-CE2 4.04Å; I573-F580 HydrophobicContact CB-CZ 3.71Å; I573-F580 HydrophobicContact CG1-CE2 4.01Å; I573-F580 HydrophobicContact CG1-CZ 4.05Å; I573-F580 HydrophobicContact CG2-CE1 4.35Å; I573-F580 HydrophobicContact CG2-CZ 4.05Å; I573-F580 PolarHBondContact N-O 2.78Å; I573-F580 PolarHBondContact O-N 2.77Å; I573-F580 VanDerWaalsContact O-N 3.1Å; F575-F580 AromaticContact CD2-CE1 3.88Å; F575-F580 HydrophobicContact CD2-CE1 3.88Å; F575-F580 HydrophobicContact CE2-CD1 4.49Å; F575-F580 AromaticContact CE2-CE1 3.43Å; F575-F580 HydrophobicContact CE2-CE1 3.43Å; F575-F580 VanDerWaalsContact CE2-CE1 3.43Å; F575-F580 AromaticContact CE2-CZ 3.97Å; F575-F580 HydrophobicContact CE2-CZ 3.97Å; F575-F580 HydrophobicContact CZ-CE1 4.48Å; F580-W588 HydrophobicContact CE2-CB 3.71Å; F580-W588 HydrophobicContact CE2-CG 4.35Å; F580-W588 HydrophobicContact CZ-CB 3.43Å; F580-W588 VanDerWaalsContact CZ-CB 3.43Å; F580-W588 AromaticContact CZ-CG 3.91Å; F580-W588 HydrophobicContact CZ-CG 3.91Å; F580-E591 HydrophobicContact CD1-CB 4.24Å; F580-E591 HydrophobicContact CD1-CG 3.9Å; F580-E591 HydrophobicContact CE1-CB 3.43Å; F580-E591 VanDerWaalsContact CE1-CB 3.43Å; F580-E591 HydrophobicContact CE1-CG 3.49Å; F580-E591 VanDerWaalsContact CE1-CG 3.49Å; F580-E591 HydrophobicContact CE2-CG 4.19Å; F580-E591 HydrophobicContact CG-CG 4.41Å; F580-E591 HydrophobicContact CZ-CB 3.71Å; F580-E591 HydrophobicContact CZ-CG 3.69Å
581	I	90.8	Very high	89.5	Confident	112 Å²	112	65.9 Å²	65.9	57%	0.574	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.7	172.9	-61	171.9	0	0	0	108.1	M570	M570-I581 HydrophobicContact CB-CG2 3.79Å
582	T	85.5	Confident	89.3	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.043	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.6	-179.5	53.7	0	0	0	0	112.5	E571 I573 L586 W588	E571-T582 PolarHBondContact O-N 2.96Å; I573-T582 HydrophobicContact CD1-CG2 3.86Å; I573-T582 HydrophobicContact CG1-CG2 3.51Å; T582-L586 HydrophobicContact CG2-CD2 4.22Å; T582-L586 WeakPolarHBondContact OG1-CD2 3.33Å; T582-W588 HydrophobicContact CG2-CE3 3.73Å; T582-W588 HydrophobicContact CG2-CZ3 3.7Å
583	S	83.1	Confident	88.7	Confident	61 Å²	61	61.9 Å²	61.9	43%	0.427	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-66.3	167.5	168.5	68	0	0	0	0	111.6	E585 L586	S583-E585 PolarHBondContact O-N 3.05Å; S583-E585 VanDerWaalsContact O-N 3.15Å; S583-L586 PolarHBondContact O-N 2.95Å
584	Q	74.6	Confident	88.2	Confident	153 Å²	153	70.1 Å²	70.1	72%	0.715	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.5	176.8	-67.8	-176.5	-6.3	0	0	113.6	L586	Q584-L586 PolarHBondContact O-N 3.33Å
585	E	73.1	Confident	88	Confident	126 Å²	126	69.1 Å²	69.1	59%	0.589	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.3	175.8	-64.6	-174	-178.5	0	0	113.4	S583 N587	S583-E585 PolarHBondContact O-N 3.05Å; S583-E585 VanDerWaalsContact O-N 3.15Å; E585-N587 VanDerWaalsContact C-N 3.32Å; E585-N587 PolarHBondContact O-N 3.45Å
586	L	83	Confident	87.9	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	35%	0.352	C	S	.	.			trans	49.2	49.3	-177.6	-64.9	-174.1	0	0	0	113.3	M570 T582 S583 Q584 P873 F925 G936 T937	M570-L586 HydrophobicContact SD-CD2 3.54Å; M570-L586 VanDerWaalsContact SD-CD2 3.54Å; M570-L586 HydrophobicContact SD-CG 4.39Å; T582-L586 HydrophobicContact CG2-CD2 4.22Å; T582-L586 WeakPolarHBondContact OG1-CD2 3.33Å; S583-L586 PolarHBondContact O-N 2.95Å; Q584-L586 PolarHBondContact O-N 3.33Å; L586-P873 HydrophobicContact CD1-CB 3.25Å; L586-P873 HydrophobicContact CD1-CG 4.18Å; L586-P873 HydrophobicContact CG-CB 4.08Å; L586-F925 HydrophobicContact CD1-CE2 4.21Å; L586-F925 HydrophobicContact CD1-CZ 3.98Å; L586-G936 WeakPolarHBondContact O-CA 3.41Å; L586-T937 HydrophobicContact CB-CG2 4.07Å; L586-T937 WeakPolarHBondContact CB-OG1 3.34Å; L586-T937 HydrophobicContact CD1-CG2 3.58Å; L586-T937 WeakPolarHBondContact CD1-OG1 3.24Å; L586-T937 HydrophobicContact CG-CG2 4.3Å; L586-T937 PolarHBondContact O-N 3.35Å
587	N	85.9	Confident	88	Confident	61 Å²	61	63.8 Å²	63.8	33%	0.326	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-136.6	131.3	-178.5	172.4	20.8	0	0	0	109.9	E585 V589 P935	E585-N587 VanDerWaalsContact C-N 3.32Å; E585-N587 PolarHBondContact O-N 3.45Å; N587-V589 WeakPolarHBondContact OD1-CG2 3.38Å; N587-V589 PolarHBondContact OD1-N 2.93Å; N587-P935 PolarHBondContact OD1-O 3.49Å
588	W	91.8	Very high	88.2	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	30%	0.304	C	S	.	.			trans	-133.7	36.9	-177.4	54.3	94.8	0	0	0	113.4	I573 F580 T582 K590 E591 V592 W730 H929 P935 G936 T937	I573-W588 HydrophobicContact CD1-CH2 4.03Å; I573-W588 HydrophobicContact CD1-CZ2 4.16Å; I573-W588 HydrophobicContact CD1-CZ3 4.21Å; I573-W588 HydrophobicContact CG1-CD2 4.22Å; I573-W588 HydrophobicContact CG1-CE3 4.24Å; I573-W588 HydrophobicContact CG1-CZ3 4.42Å; F580-W588 HydrophobicContact CE2-CB 3.71Å; F580-W588 HydrophobicContact CE2-CG 4.35Å; F580-W588 HydrophobicContact CZ-CB 3.43Å; F580-W588 VanDerWaalsContact CZ-CB 3.43Å; F580-W588 AromaticContact CZ-CG 3.91Å; F580-W588 HydrophobicContact CZ-CG 3.91Å; T582-W588 HydrophobicContact CG2-CE3 3.73Å; T582-W588 HydrophobicContact CG2-CZ3 3.7Å; W588-K590 PolarHBondContact O-N 2.98Å; W588-E591 WeakPolarHBondContact CA-OE2 3.24Å; W588-E591 HydrophobicContact CB-CB 4.36Å; W588-E591 WeakPolarHBondContact CB-OE2 3.34Å; W588-E591 PolarHBondContact O-N 2.81Å; W588-V592 WeakPolarHBondContact O-CG2 3.39Å; W588-V592 PolarHBondContact O-N 3.39Å; W588-W730 AromaticContact CE2-CE2 4Å; W588-W730 AromaticContact CZ2-CE2 3.87Å; W588-W730 HydrophobicContact CZ2-CZ2 4Å; W588-W730 AromaticContact CZ2-NE1 3.61Å; W588-W730 AromaticContact NE1-CD2 3.69Å; W588-W730 AromaticContact NE1-CE2 3.48Å; W588-W730 AromaticContact NE1-CZ2 3.72Å; W588-W730 AromaticContact NE1-NE1 3.82Å; W588-H929 HydrophobicContact CH2-CB 3.97Å; W588-H929 AromaticContact CH2-CD2 3.7Å; W588-H929 HydrophobicContact CZ2-CB 4.49Å; W588-H929 AromaticContact CZ3-CD2 3.9Å; W588-P935 VanDerWaalsContact CE2-C 3.48Å; W588-P935 HydrophobicContact CG-CB 4.47Å; W588-P935 PolarHBondContact N-O 2.9Å; W588-G936 VanDerWaalsContact CZ3-CA 3.42Å; W588-T937 HydrophobicContact CH2-CG2 4.46Å
589	V	89.1	Confident	88.3	Confident	56 Å²	56	60.6 Å²	60.6	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-54.3	-35.7	176	169.6	0	0	0	0	112.7	N587 T593 Q715 P935	N587-V589 WeakPolarHBondContact OD1-CG2 3.38Å; N587-V589 PolarHBondContact OD1-N 2.93Å; V589-T593 PolarHBondContact O-N 3.06Å; V589-Q715 PolarHBondContact O-NE2 2.97Å; V589-P935 HydrophobicContact CB-CG 4.28Å; V589-P935 HydrophobicContact CG2-CB 4.37Å; V589-P935 HydrophobicContact CG2-CG 3.42Å; V589-P935 VanDerWaalsContact CG2-CG 3.42Å
590	K	88.3	Confident	88.3	Confident	158 Å²	158	58.7 Å²	58.7	69%	0.687	29%	0.29	S	S	*	.	H	α-helix	trans	-72.5	-42.6	-175.8	-66.9	179.7	-179.6	176.5	0	110.8	W588 T593 R594	W588-K590 PolarHBondContact O-N 2.98Å; K590-T593 PolarHBondContact O-N 3.07Å; K590-T593 VanDerWaalsContact O-N 3.16Å; K590-T593 PolarHBondContact O-OG1 2.78Å; K590-R594 PolarHBondContact O-N 3.12Å
591	E	90.9	Very high	88.4	Confident	53 Å²	53	58.6 Å²	58.6	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-42.2	-177.1	-63.4	74.1	-164	0	0	109.7	F575 F580 W588 T593 R594 D595	F575-E591 HydrophobicContact CE2-CB 4.43Å; F580-E591 HydrophobicContact CD1-CB 4.24Å; F580-E591 HydrophobicContact CD1-CG 3.9Å; F580-E591 HydrophobicContact CE1-CB 3.43Å; F580-E591 VanDerWaalsContact CE1-CB 3.43Å; F580-E591 HydrophobicContact CE1-CG 3.49Å; F580-E591 VanDerWaalsContact CE1-CG 3.49Å; F580-E591 HydrophobicContact CE2-CG 4.19Å; F580-E591 HydrophobicContact CG-CG 4.41Å; F580-E591 HydrophobicContact CZ-CB 3.71Å; F580-E591 HydrophobicContact CZ-CG 3.69Å; W588-E591 WeakPolarHBondContact CA-OE2 3.24Å; W588-E591 HydrophobicContact CB-CB 4.36Å; W588-E591 WeakPolarHBondContact CB-OE2 3.34Å; W588-E591 PolarHBondContact O-N 2.81Å; E591-T593 PolarHBondContact O-N 3.45Å; E591-T593 VanDerWaalsContact O-N 3.16Å; E591-R594 PolarHBondContact O-N 2.84Å; E591-D595 PolarHBondContact O-N 2.78Å
592	V	88.3	Confident	88.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-24.4	174.8	177.6	0	0	0	0	113.2	F575 W588 L719 W730 P935	F575-V592 HydrophobicContact CE1-CB 4.49Å; F575-V592 HydrophobicContact CE1-CG2 3.97Å; F575-V592 HydrophobicContact CZ-CB 4.44Å; F575-V592 HydrophobicContact CZ-CG2 3.59Å; W588-V592 WeakPolarHBondContact O-CG2 3.39Å; W588-V592 PolarHBondContact O-N 3.39Å; V592-L719 HydrophobicContact CG1-CD1 3.39Å; V592-L719 HydrophobicContact CG1-CD2 3.43Å; V592-L719 VanDerWaalsContact CG1-CD2 3.43Å; V592-L719 HydrophobicContact CG1-CG 4.03Å; V592-W730 HydrophobicContact CG1-CZ3 4.48Å; V592-W730 HydrophobicContact CG2-CE3 3.95Å; V592-W730 HydrophobicContact CG2-CZ3 3.96Å; V592-P935 HydrophobicContact CB-CB 4.5Å; V592-P935 HydrophobicContact CG2-CB 3.82Å
593	T	82	Confident	88.9	Confident	40 Å²	40	55.4 Å²	55.4	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-82.8	-27.1	173.7	49.5	0	0	0	0	114.6	V589 K590 E591 P631 Q715	V589-T593 PolarHBondContact O-N 3.06Å; K590-T593 PolarHBondContact O-N 3.07Å; K590-T593 VanDerWaalsContact O-N 3.16Å; K590-T593 PolarHBondContact O-OG1 2.78Å; E591-T593 PolarHBondContact O-N 3.45Å; E591-T593 VanDerWaalsContact O-N 3.16Å; T593-P631 WeakPolarHBondContact O-CB 3.41Å; T593-Q715 HydrophobicContact CG2-CG 3.91Å
594	R	86.8	Confident	89.4	Confident	172 Å²	172	56.6 Å²	56.6	65%	0.649	28%	0.277	S	S	*	.	H	α-helix	trans	-98.7	-37.6	-168	-169.8	-169.9	70.8	-171.1	-4.3	111.3	K590 E591	K590-R594 PolarHBondContact O-N 3.12Å; E591-R594 PolarHBondContact O-N 2.84Å
595	D	91.1	Very high	90.2	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.059	27%	0.268	C	S	.	.	S	Bend	trans	-103.6	142.5	-168.3	-60.9	-18.2	0	0	0	110.5	F575 T578 E591	F575-D595 HydrophobicContact CB-CB 4.43Å; F575-D595 HydrophobicContact CD1-CB 4.3Å; F575-D595 HydrophobicContact CG-CB 4.24Å; T578-D595 WeakPolarHBondContact OG1-CB 3.23Å; T578-D595 VanDerWaalsContact OG1-CG 3.28Å; T578-D595 PolarHBondContact OG1-OD2 3.4Å; E591-D595 PolarHBondContact O-N 2.78Å
596	P	94.3	Very high	91.3	Very high	34 Å²	34	49.5 Å²	49.5	22%	0.221	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.9	136.9	-178.6	25.7	-33.6	0	0	0	111.6	K576 I632	K576-P596 HydrophobicContact CB-CB 4.48Å; K576-P596 HydrophobicContact CB-CG 4.32Å; K576-P596 PolarHBondContact N-O 3.45Å; P596-I632 WeakPolarHBondContact CA-O 3.33Å
597	S	95	Very high	91.9	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.8	152.2	174.3	-68.3	0	0	0	0	111.6	K576 L599 I632 E728 L729	K576-S597 WeakPolarHBondContact CB-O 3.16Å; S597-L599 VanDerWaalsContact C-N 3.28Å; S597-L599 PolarHBondContact O-N 2.93Å; S597-I632 PolarHBondContact N-O 2.94Å; S597-E728 WeakPolarHBondContact CB-O 3.49Å; S597-L729 WeakPolarHBondContact CA-O 3.39Å
598	I	96.2	Very high	92.5	Very high	51 Å²	51	46.5 Å²	46.5	26%	0.262	23%	0.226	S	C	.	.	S	Bend	trans	-49.8	-50.5	179	-68.4	175.5	0	0	0	111.1	E728 L729 W730 G731 T769	I598-E728 HydrophobicContact CB-CB 4.08Å; I598-E728 WeakPolarHBondContact CB-O 3.23Å; I598-E728 HydrophobicContact CG2-CB 4.11Å; I598-E728 PolarHBondContact N-O 2.83Å; I598-E728 VanDerWaalsContact N-O 3.08Å; I598-L729 PolarHBondContact N-O 3.39Å; I598-W730 VanDerWaalsContact CD1-C 3.47Å; I598-G731 VanDerWaalsContact CD1-N 3.33Å; I598-T769 HydrophobicContact CD1-CG2 4.47Å
599	L	95.7	Very high	92.8	Very high	59 Å²	59	46.5 Å²	46.5	31%	0.309	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-137.6	126	176.6	-178.5	65.9	0	0	0	109.9	S597 I601 N722 G727 E728	S597-L599 VanDerWaalsContact C-N 3.28Å; S597-L599 PolarHBondContact O-N 2.93Å; L599-I601 HydrophobicContact CD2-CD1 4.3Å; L599-I601 HydrophobicContact CG-CD1 4.28Å; L599-N722 PolarHBondContact O-ND2 3.38Å; L599-G727 CarbonylContact O-C 3.52Å; L599-G727 WeakPolarHBondContact O-CA 3.35Å; L599-E728 HydrophobicContact CB-CB 3.82Å; L599-E728 HydrophobicContact CB-CG 3.93Å; L599-E728 HydrophobicContact CD2-CG 4.17Å; L599-E728 PolarHBondContact N-O 2.9Å; L599-E728 PolarHBondContact O-N 2.89Å; L599-E728 VanDerWaalsContact O-O 3.1Å
600	T	94.8	Very high	93.1	Very high	28 Å²	28	44.3 Å²	44.3	17%	0.172	21%	0.211	C	C	.	.			trans	-113.8	141.5	171.6	52.3	0	0	0	0	109.7	I632 G633 M634 N722	T600-I632 HydrophobicContact CG2-CG2 4.36Å; T600-I632 WeakPolarHBondContact CG2-O 3.22Å; T600-G633 WeakPolarHBondContact CB-O 3.02Å; T600-G633 PolarHBondContact OG1-O 3.38Å; T600-M634 HydrophobicContact CG2-CB 4.12Å; T600-N722 VanDerWaalsContact CA-OD1 3.31Å; T600-N722 WeakPolarHBondContact CA-OD1 3.46Å
601	I	95.4	Very high	93.5	Very high	43 Å²	43	37 Å²	37	22%	0.221	18%	0.18	C	C	.	.			trans	-100.5	116.6	175.4	-53.4	-58.9	0	0	0	108.1	L599 M603 M634 N722 L725	L599-I601 HydrophobicContact CD2-CD1 4.3Å; L599-I601 HydrophobicContact CG-CD1 4.28Å; I601-M603 PolarHBondContact O-N 3.48Å; I601-M634 WeakPolarHBondContact O-CE 3.32Å; I601-N722 PolarHBondContact N-OD1 3.47Å; I601-L725 HydrophobicContact CB-CB 3.84Å; I601-L725 HydrophobicContact CG1-CB 4.09Å; I601-L725 HydrophobicContact CG2-CB 3.98Å
602	P	94.2	Very high	93.6	Very high	52 Å²	52	41.3 Å²	41.3	34%	0.338	20%	0.198	S	C	.	.			trans	-58.1	132.6	174.5	-26.1	36	0	0	0	111.8	H604 H635 Q667	P602-H604 VanDerWaalsContact CB-NE2 3.33Å; P602-H604 WeakPolarHBondContact CB-NE2 3.35Å; P602-H635 HydrophobicContact CB-CB 4.34Å; P602-Q667 PolarHBondContact O-NE2 2.64Å; P602-Q667 VanDerWaalsContact O-NE2 3.09Å
603	M	93.2	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-105.2	87.3	-178.4	-172.6	159.8	168.8	0	0	108.8	I601 W606 M634 H635 M636 S637 M668 V670 I721 L725	I601-M603 PolarHBondContact O-N 3.48Å; M603-W606 HydrophobicContact CE-CB 3.45Å; M603-W606 VanDerWaalsContact CE-CB 3.45Å; M603-W606 HydrophobicContact CE-CD2 3.13Å; M603-W606 HydrophobicContact CE-CE3 3.39Å; M603-W606 HydrophobicContact CE-CG 3.19Å; M603-W606 HydrophobicContact CE-CZ2 4.36Å; M603-W606 HydrophobicContact CE-CZ3 4.1Å; M603-W606 HydrophobicContact CG-CB 3.99Å; M603-W606 HydrophobicContact CG-CD2 4.47Å; M603-W606 HydrophobicContact CG-CG 3.75Å; M603-W606 HydrophobicContact SD-CD2 4.45Å; M603-W606 HydrophobicContact SD-CG 4.24Å; M603-M634 HydrophobicContact CB-CE 3.64Å; M603-M634 HydrophobicContact CG-CE 4.42Å; M603-M634 HydrophobicContact SD-CE 3.82Å; M603-H635 PolarHBondContact N-O 2.83Å; M603-M636 HydrophobicContact CB-CG 4.36Å; M603-M636 HydrophobicContact CE-CE 4.26Å; M603-M636 HydrophobicContact SD-CE 3.87Å; M603-S637 PolarHBondContact O-N 2.9Å; M603-M668 HydrophobicContact CE-CB 3.88Å; M603-M668 HydrophobicContact CE-CG 3.82Å; M603-V670 HydrophobicContact CE-CG2 4.35Å; M603-I721 HydrophobicContact CE-CG2 4.11Å; M603-I721 HydrophobicContact SD-CG2 3.5Å; M603-I721 VanDerWaalsContact SD-CG2 3.5Å; M603-L725 HydrophobicContact SD-CD1 4.16Å
604	H	93.1	Very high	94.4	Very high	87 Å²	87	46.6 Å²	46.6	40%	0.403	21%	0.213	S	C	.	.			trans	-86.4	-44.1	-176.4	-63.4	-57.4	0	0	0	112.5	P602 H635 S637	P602-H604 VanDerWaalsContact CB-NE2 3.33Å; P602-H604 WeakPolarHBondContact CB-NE2 3.35Å; H604-H635 AromaticContact CE1-ND1 3.94Å; H604-H635 AromaticContact ND1-ND1 3.93Å; H604-S637 WeakPolarHBondContact O-CB 3.44Å
605	F	92.4	Very high	94.7	Very high	123 Å²	123	41 Å²	41	54%	0.539	20%	0.195	S	C	.	.	S	Bend	trans	-128	105.8	-175.4	-61.2	-75.4	0	0	0	109.8	Q667	F605-Q667 WeakPolarHBondContact O-CB 3.33Å; F605-Q667 PolarHBondContact O-N 3.23Å
606	W	95.6	Very high	94.9	Very high	6 Å²	6	45.3 Å²	45.3	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.3	179.1	68.4	-74.7	0	0	0	111.2	M603 L608 V622 M636 S637 P639 A640 M668 V670	M603-W606 HydrophobicContact CE-CB 3.45Å; M603-W606 VanDerWaalsContact CE-CB 3.45Å; M603-W606 HydrophobicContact CE-CD2 3.13Å; M603-W606 HydrophobicContact CE-CE3 3.39Å; M603-W606 HydrophobicContact CE-CG 3.19Å; M603-W606 HydrophobicContact CE-CZ2 4.36Å; M603-W606 HydrophobicContact CE-CZ3 4.1Å; M603-W606 HydrophobicContact CG-CB 3.99Å; M603-W606 HydrophobicContact CG-CD2 4.47Å; M603-W606 HydrophobicContact CG-CG 3.75Å; M603-W606 HydrophobicContact SD-CD2 4.45Å; M603-W606 HydrophobicContact SD-CG 4.24Å; W606-L608 HydrophobicContact CZ3-CB 4.06Å; W606-V622 HydrophobicContact CH2-CG2 4.09Å; W606-M636 HydrophobicContact CH2-CE 4.42Å; W606-M636 HydrophobicContact CZ2-CE 3.87Å; W606-S637 PolarHBondContact NE1-O 3.38Å; W606-P639 HydrophobicContact CD2-CB 3.66Å; W606-P639 HydrophobicContact CE3-CB 3.79Å; W606-P639 HydrophobicContact CG-CB 4.46Å; W606-P639 HydrophobicContact CH2-CB 3.73Å; W606-P639 HydrophobicContact CH2-CG 3.79Å; W606-P639 HydrophobicContact CZ2-CB 3.56Å; W606-P639 HydrophobicContact CZ2-CG 3.65Å; W606-P639 HydrophobicContact CZ3-CB 3.82Å; W606-P639 HydrophobicContact CZ3-CG 4.32Å; W606-P639 WeakPolarHBondContact O-CA 3.44Å; W606-A640 PolarHBondContact O-N 3.09Å; W606-M668 WeakPolarHBondContact CA-O 3.32Å; W606-M668 HydrophobicContact CB-CB 4.08Å; W606-V670 HydrophobicContact CE3-CB 4.18Å; W606-V670 HydrophobicContact CE3-CG2 3.61Å; W606-V670 HydrophobicContact CZ3-CB 3.92Å; W606-V670 HydrophobicContact CZ3-CG1 4.49Å; W606-V670 HydrophobicContact CZ3-CG2 3.59Å
607	A	96.4	Very high	94.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.6	-172.9	0	0	0	0	0	111.5	F609 M659 M668 V670	A607-F609 HydrophobicContact CB-CD2 4.23Å; A607-F609 HydrophobicContact CB-CE2 3.49Å; A607-F609 VanDerWaalsContact CB-CE2 3.49Å; A607-F609 HydrophobicContact CB-CZ 4.07Å; A607-M659 HydrophobicContact CB-CE 3.37Å; A607-M659 HydrophobicContact CB-SD 3.26Å; A607-M659 WeakPolarHBondContact CB-SD 3.26Å; A607-M668 PolarHBondContact N-O 3.24Å; A607-M668 VanDerWaalsContact N-O 3.09Å; A607-V670 PolarHBondContact O-N 3.48Å
608	L	97.6	Very high	95	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.4	174	-179	61.9	0	0	0	110.1	W606 Y610 A618 V622 P639 A640 W641 V642 V670 I672	W606-L608 HydrophobicContact CZ3-CB 4.06Å; L608-Y610 HydrophobicContact CG-CD1 4.26Å; L608-A618 HydrophobicContact CD2-CB 4.11Å; L608-V622 HydrophobicContact CD2-CG2 3.49Å; L608-V622 VanDerWaalsContact CD2-CG2 3.49Å; L608-P639 HydrophobicContact CB-CB 3.89Å; L608-P639 HydrophobicContact CB-CG 4.23Å; L608-P639 HydrophobicContact CD2-CG 4.48Å; L608-A640 PolarHBondContact N-O 2.89Å; L608-W641 HydrophobicContact CD2-CE3 4.17Å; L608-W641 HydrophobicContact CD2-CH2 4.08Å; L608-W641 HydrophobicContact CD2-CZ3 3.73Å; L608-V642 PolarHBondContact O-N 2.86Å; L608-V670 CarbonylContact C-O 3.55Å; L608-V670 WeakPolarHBondContact CA-O 3.48Å; L608-V670 HydrophobicContact CD1-CB 3.85Å; L608-V670 HydrophobicContact CD1-CG1 3.59Å; L608-I672 HydrophobicContact CD1-CD1 4.09Å; L608-I672 HydrophobicContact CD1-CG1 4.13Å
609	F	97.6	Very high	95	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.6	176.7	-60.4	-97.7	0	0	0	109.8	A607 V642 L644 T655 I656 M659 V669 V670 C671 I672	A607-F609 HydrophobicContact CB-CD2 4.23Å; A607-F609 HydrophobicContact CB-CE2 3.49Å; A607-F609 VanDerWaalsContact CB-CE2 3.49Å; A607-F609 HydrophobicContact CB-CZ 4.07Å; F609-V642 WeakPolarHBondContact CA-O 3.19Å; F609-V642 HydrophobicContact CD1-CB 3.72Å; F609-V642 HydrophobicContact CD1-CG1 3.57Å; F609-V642 HydrophobicContact CD1-CG2 4.29Å; F609-V642 HydrophobicContact CE1-CB 3.97Å; F609-V642 HydrophobicContact CE1-CG1 3.7Å; F609-V642 HydrophobicContact CE1-CG2 4.08Å; F609-V642 HydrophobicContact CG-CB 4.25Å; F609-V642 HydrophobicContact CZ-CG2 4.39Å; F609-L644 HydrophobicContact CB-CD1 4.21Å; F609-L644 HydrophobicContact CD1-CD2 4.26Å; F609-T655 HydrophobicContact CD1-CG2 4.36Å; F609-T655 HydrophobicContact CE1-CG2 4.04Å; F609-I656 HydrophobicContact CD1-CG1 3.86Å; F609-I656 HydrophobicContact CD2-CG1 4.09Å; F609-I656 HydrophobicContact CE1-CB 4.28Å; F609-I656 HydrophobicContact CE1-CG1 3.6Å; F609-I656 HydrophobicContact CE2-CG1 3.85Å; F609-I656 HydrophobicContact CG-CG1 4.09Å; F609-I656 HydrophobicContact CZ-CB 4.12Å; F609-I656 HydrophobicContact CZ-CG1 3.59Å; F609-I656 HydrophobicContact CZ-CG2 4.49Å; F609-M659 HydrophobicContact CE1-SD 4.23Å; F609-M659 HydrophobicContact CE2-SD 4.06Å; F609-M659 HydrophobicContact CZ-CB 4.28Å; F609-M659 HydrophobicContact CZ-SD 3.43Å; F609-M659 WeakPolarHBondContact CZ-SD 3.19Å; F609-V669 HydrophobicContact CD2-CG1 3.89Å; F609-V669 HydrophobicContact CE2-CG1 3.75Å; F609-V669 HydrophobicContact CE2-CG2 4.32Å; F609-V670 PolarHBondContact N-O 3.36Å; F609-C671 WeakPolarHBondContact O-CA 3.27Å; F609-I672 PolarHBondContact O-N 3.44Å
610	Y	97	Very high	95	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.6	-178.7	63.5	-80.2	0	0	0	111.2	L608 M615 A618 W641 V642 E643 L644	L608-Y610 HydrophobicContact CG-CD1 4.26Å; Y610-M615 HydrophobicContact CD2-CB 4.4Å; Y610-M615 HydrophobicContact CE2-CB 3.96Å; Y610-M615 HydrophobicContact CE2-CG 4.01Å; Y610-A618 HydrophobicContact CD1-CB 4.41Å; Y610-A618 HydrophobicContact CD2-CB 4.32Å; Y610-A618 HydrophobicContact CG-CB 4.05Å; Y610-W641 HydrophobicContact CD1-CE3 4.28Å; Y610-W641 HydrophobicContact CE1-CB 4.27Å; Y610-W641 AromaticContact CE1-CE3 3.57Å; Y610-W641 HydrophobicContact CE1-CE3 3.57Å; Y610-W641 HydrophobicContact CE1-CZ3 4.33Å; Y610-W641 AromaticContact CZ-CE3 3.99Å; Y610-V642 PolarHBondContact N-O 3.46Å; Y610-V642 VanDerWaalsContact N-O 3.11Å; Y610-E643 HydrophobicContact CE2-CB 4.24Å; Y610-E643 HydrophobicContact CE2-CG 4.29Å; Y610-L644 PolarHBondContact O-N 3.22Å
611	P	95	Very high	95.1	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	145.9	167.9	-21.3	34.1	0	0	0	110.6	R613 A614 D647 Y652 I672 M674	P611-R613 HydrophobicContact CB-CG 4.07Å; P611-R613 PolarHBondContact O-N 2.79Å; P611-A614 PolarHBondContact O-N 3.37Å; P611-D647 HydrophobicContact CG-CB 4.47Å; P611-Y652 WeakPolarHBondContact CD-OH 3.3Å; P611-Y652 VanDerWaalsContact CG-OH 3.24Å; P611-Y652 WeakPolarHBondContact CG-OH 3.38Å; P611-I672 VanDerWaalsContact CD-O 3.29Å; P611-I672 WeakPolarHBondContact CD-O 3.39Å; P611-M674 HydrophobicContact CG-CG 3.96Å
612	K	92.8	Very high	95.1	Very high	145 Å²	145	47.4 Å²	47.4	63%	0.63	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-45.4	-42.1	178.5	-172.8	173.2	-170.4	169.6	0	114.2	A614 M615 E643 L644	K612-A614 PolarHBondContact O-N 2.81Å; K612-A614 VanDerWaalsContact O-N 3.14Å; K612-M615 WeakPolarHBondContact O-CB 3.46Å; K612-M615 PolarHBondContact O-N 2.83Å; K612-E643 HydrophobicContact CB-CG 4.08Å; K612-E643 VanDerWaalsContact CD-OE1 3.3Å; K612-E643 WeakPolarHBondContact CD-OE1 3.31Å; K612-E643 WeakPolarHBondContact CG-OE1 3.48Å; K612-L644 PolarHBondContact N-O 2.8Å
613	R	93	Very high	95.2	Very high	150 Å²	150	48.8 Å²	48.8	57%	0.566	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-64	-13.5	178.3	63.5	178.7	173.1	169.6	-2.6	115.8	P611 D647 M674	P611-R613 HydrophobicContact CB-CG 4.07Å; P611-R613 PolarHBondContact O-N 2.79Å; R613-D647 IonicContact CZ-OD2 3.9Å; R613-D647 IonicContact NH2-OD2 2.71Å; R613-D647 PolarHBondContact NH2-OD2 2.94Å; R613-M674 HydrophobicContact CG-CE 4.16Å; R613-M674 HydrophobicContact CG-SD 4.14Å; R613-M674 VanDerWaalsContact NH2-CG 3.28Å
614	A	94.1	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-107.1	11.8	-178.7	0	0	0	0	0	112.8	P611 K612 D616 Q617 A618 I672 M674 V701	P611-A614 PolarHBondContact O-N 3.37Å; K612-A614 PolarHBondContact O-N 2.81Å; K612-A614 VanDerWaalsContact O-N 3.14Å; A614-D616 VanDerWaalsContact C-N 3.35Å; A614-D616 PolarHBondContact O-N 3.2Å; A614-Q617 VanDerWaalsContact CA-OE1 3.31Å; A614-Q617 PolarHBondContact O-N 2.98Å; A614-Q617 PolarHBondContact O-OE1 3.08Å; A614-A618 WeakPolarHBondContact O-CB 3.37Å; A614-A618 PolarHBondContact O-N 3.47Å; A614-I672 HydrophobicContact CB-CG2 4.06Å; A614-M674 HydrophobicContact CB-SD 4.09Å; A614-V701 HydrophobicContact CB-CG2 4.24Å
615	M	94.6	Very high	95.4	Very high	54 Å²	54	46.5 Å²	46.5	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-56.8	-44.7	-174.7	-173.1	-176	-140.6	0	0	112.7	Y610 K612 A618 R619	Y610-M615 HydrophobicContact CD2-CB 4.4Å; Y610-M615 HydrophobicContact CE2-CB 3.96Å; Y610-M615 HydrophobicContact CE2-CG 4.01Å; K612-M615 WeakPolarHBondContact O-CB 3.46Å; K612-M615 PolarHBondContact O-N 2.83Å; M615-A618 WeakPolarHBondContact O-CB 3.24Å; M615-A618 PolarHBondContact O-N 2.87Å; M615-R619 VanDerWaalsContact CE-NH2 3.3Å; M615-R619 WeakPolarHBondContact O-CG 3.38Å; M615-R619 PolarHBondContact O-N 2.98Å
616	D	94.8	Very high	95.5	Very high	103 Å²	103	44.3 Å²	44.3	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-66.2	-45.6	-178.1	-63.5	-34.5	0	0	0	111.3	A614 A618 R619 E620	A614-D616 VanDerWaalsContact C-N 3.35Å; A614-D616 PolarHBondContact O-N 3.2Å; D616-A618 VanDerWaalsContact C-N 3.27Å; D616-A618 PolarHBondContact O-N 3.39Å; D616-R619 PolarHBondContact O-N 3.5Å; D616-E620 WeakPolarHBondContact O-CG 3.5Å; D616-E620 PolarHBondContact O-N 3.44Å
617	Q	95.3	Very high	95.3	Very high	53 Å²	53	51 Å²	51	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-33.5	176.9	-61.2	81.3	5.3	0	0	111.7	A614 L621 V701 I704	A614-Q617 VanDerWaalsContact CA-OE1 3.31Å; A614-Q617 PolarHBondContact O-N 2.98Å; A614-Q617 PolarHBondContact O-OE1 3.08Å; Q617-L621 VanDerWaalsContact O-CB 3.27Å; Q617-L621 WeakPolarHBondContact O-CB 3.26Å; Q617-L621 PolarHBondContact O-N 3.34Å; Q617-V701 HydrophobicContact CB-CG2 4.29Å; Q617-V701 HydrophobicContact CG-CG2 4.12Å; Q617-I704 HydrophobicContact CB-CD1 3.88Å; Q617-I704 HydrophobicContact CB-CG1 4.16Å
618	A	96.1	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-47.8	173.9	0	0	0	0	0	111.2	L608 Y610 A614 M615 D616 L621 V622 W641 I672	L608-A618 HydrophobicContact CD2-CB 4.11Å; Y610-A618 HydrophobicContact CD1-CB 4.41Å; Y610-A618 HydrophobicContact CD2-CB 4.32Å; Y610-A618 HydrophobicContact CG-CB 4.05Å; A614-A618 WeakPolarHBondContact O-CB 3.37Å; A614-A618 PolarHBondContact O-N 3.47Å; M615-A618 WeakPolarHBondContact O-CB 3.24Å; M615-A618 PolarHBondContact O-N 2.87Å; D616-A618 VanDerWaalsContact C-N 3.27Å; D616-A618 PolarHBondContact O-N 3.39Å; A618-L621 PolarHBondContact O-N 2.87Å; A618-V622 WeakPolarHBondContact O-CG2 3.27Å; A618-V622 PolarHBondContact O-N 2.73Å; A618-W641 HydrophobicContact CB-CZ3 3.94Å; A618-I672 HydrophobicContact CB-CD1 3.47Å; A618-I672 VanDerWaalsContact CB-CD1 3.47Å
619	R	96.4	Very high	94.9	Very high	118 Å²	118	51.4 Å²	51.4	45%	0.445	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-48.2	174.7	-74.5	175	172.9	168.9	-4.5	112.2	M615 D616 L621 V622 N623 W641	M615-R619 VanDerWaalsContact CE-NH2 3.3Å; M615-R619 WeakPolarHBondContact O-CG 3.38Å; M615-R619 PolarHBondContact O-N 2.98Å; D616-R619 PolarHBondContact O-N 3.5Å; R619-L621 VanDerWaalsContact C-N 3.31Å; R619-L621 PolarHBondContact O-N 2.89Å; R619-V622 PolarHBondContact O-N 3.46Å; R619-N623 WeakPolarHBondContact O-CB 3.29Å; R619-N623 PolarHBondContact O-N 3.02Å; R619-N623 PolarHBondContact O-ND2 3.5Å; R619-W641 HydrophobicContact CB-CH2 4.48Å; R619-W641 HydrophobicContact CG-CH2 3.93Å; R619-W641 HydrophobicContact CG-CZ3 4.1Å
620	E	95.8	Very high	94.5	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-41.4	177.1	-74.3	-176.2	177.8	0	0	112.2	D616 M624 L710	D616-E620 WeakPolarHBondContact O-CG 3.5Å; D616-E620 PolarHBondContact O-N 3.44Å; E620-M624 VanDerWaalsContact O-CB 3.27Å; E620-M624 WeakPolarHBondContact O-CB 3.4Å; E620-M624 PolarHBondContact O-N 3.18Å; E620-L710 HydrophobicContact CB-CD2 3.91Å
621	L	96.5	Very high	94.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-50.6	176.7	177.2	62.8	0	0	0	111.3	Q617 A618 R619 M624 L625 I672 V699 I704 L710 A714 I717	Q617-L621 VanDerWaalsContact O-CB 3.27Å; Q617-L621 WeakPolarHBondContact O-CB 3.26Å; Q617-L621 PolarHBondContact O-N 3.34Å; A618-L621 PolarHBondContact O-N 2.87Å; R619-L621 VanDerWaalsContact C-N 3.31Å; R619-L621 PolarHBondContact O-N 2.89Å; L621-M624 PolarHBondContact O-N 3.22Å; L621-L625 HydrophobicContact CD1-CD1 4.1Å; L621-L625 HydrophobicContact CD1-CD2 4.49Å; L621-L625 HydrophobicContact CD1-CG 4.05Å; L621-L625 HydrophobicContact CG-CD1 3.93Å; L621-L625 HydrophobicContact CG-CG 4.32Å; L621-L625 VanDerWaalsContact O-CG 3.28Å; L621-L625 WeakPolarHBondContact O-CG 3.45Å; L621-L625 PolarHBondContact O-N 2.93Å; L621-I672 HydrophobicContact CD2-CD1 4.44Å; L621-V699 HydrophobicContact CD2-CG1 4.28Å; L621-V699 HydrophobicContact CD2-CG2 4.43Å; L621-I704 HydrophobicContact CB-CD1 4.36Å; L621-I704 HydrophobicContact CD1-CG2 4.08Å; L621-I704 HydrophobicContact CD2-CD1 4.16Å; L621-I704 HydrophobicContact CD2-CG2 4.41Å; L621-L710 HydrophobicContact CD1-CD1 4.33Å; L621-A714 HydrophobicContact CD1-CB 4.06Å; L621-I717 HydrophobicContact CD1-CD1 4.26Å
622	V	96.4	Very high	93.9	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-49	-179.8	174.5	0	0	0	0	110.7	W606 L608 A618 R619 M624 L625 E626 P639 W641	W606-V622 HydrophobicContact CH2-CG2 4.09Å; L608-V622 HydrophobicContact CD2-CG2 3.49Å; L608-V622 VanDerWaalsContact CD2-CG2 3.49Å; A618-V622 WeakPolarHBondContact O-CG2 3.27Å; A618-V622 PolarHBondContact O-N 2.73Å; R619-V622 PolarHBondContact O-N 3.46Å; V622-M624 PolarHBondContact O-N 3.42Å; V622-L625 PolarHBondContact O-N 3.44Å; V622-L625 VanDerWaalsContact O-N 3.09Å; V622-E626 HydrophobicContact CG1-CG 4.47Å; V622-E626 WeakPolarHBondContact O-CG 3.39Å; V622-E626 PolarHBondContact O-N 2.9Å; V622-P639 HydrophobicContact CG1-CG 4.17Å; V622-P639 HydrophobicContact CG2-CG 3.96Å; V622-W641 HydrophobicContact CB-CH2 3.94Å; V622-W641 HydrophobicContact CB-CZ2 4.09Å; V622-W641 HydrophobicContact CG1-CH2 4.44Å; V622-W641 HydrophobicContact CG1-CZ2 4.08Å; V622-W641 HydrophobicContact CG2-CH2 3.55Å; V622-W641 HydrophobicContact CG2-CZ2 3.89Å; V622-W641 HydrophobicContact CG2-CZ3 4.41Å
623	N	95.4	Very high	93.8	Very high	81 Å²	81	51.1 Å²	51.1	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-37.6	177.1	-69.4	-17.1	0	0	0	112.2	R619 K627	R619-N623 WeakPolarHBondContact O-CB 3.29Å; R619-N623 PolarHBondContact O-N 3.02Å; R619-N623 PolarHBondContact O-ND2 3.5Å; N623-K627 WeakPolarHBondContact O-CD 3.31Å; N623-K627 VanDerWaalsContact O-CG 3.23Å; N623-K627 WeakPolarHBondContact O-CG 3.44Å; N623-K627 PolarHBondContact O-N 3.33Å
624	M	95.5	Very high	93.9	Very high	36 Å²	36	44.3 Å²	44.3	18%	0.177	24%	0.238	C	C	.	.	H	α-helix	trans	-72.9	-39	177.4	-169.7	62.1	58.6	0	0	112	E620 L621 V622 K627 I628 L710 R711 A714	E620-M624 VanDerWaalsContact O-CB 3.27Å; E620-M624 WeakPolarHBondContact O-CB 3.4Å; E620-M624 PolarHBondContact O-N 3.18Å; L621-M624 PolarHBondContact O-N 3.22Å; V622-M624 PolarHBondContact O-N 3.42Å; M624-K627 PolarHBondContact O-N 3.21Å; M624-I628 HydrophobicContact CG-CD1 3.76Å; M624-I628 WeakPolarHBondContact O-CD1 3.29Å; M624-I628 VanDerWaalsContact O-CG1 3.23Å; M624-I628 WeakPolarHBondContact O-CG1 3.43Å; M624-I628 PolarHBondContact O-N 3.2Å; M624-I628 VanDerWaalsContact O-N 3.14Å; M624-I628 HydrophobicContact SD-CD1 4.08Å; M624-I628 HydrophobicContact SD-CG1 4.48Å; M624-L710 HydrophobicContact CB-CD2 4.37Å; M624-L710 HydrophobicContact CB-CG 4.34Å; M624-L710 HydrophobicContact CE-CD2 4.25Å; M624-L710 HydrophobicContact CG-CG 4.24Å; M624-R711 HydrophobicContact SD-CB 3.95Å; M624-R711 HydrophobicContact SD-CG 3.99Å; M624-A714 HydrophobicContact CB-CB 4.11Å; M624-A714 HydrophobicContact CG-CB 3.61Å
625	L	95.2	Very high	93.9	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-48.6	176.2	-71.6	171.7	0	0	0	110.7	L621 V622 K627 I628 A629 M636 A714 I717 L718	L621-L625 HydrophobicContact CD1-CD1 4.1Å; L621-L625 HydrophobicContact CD1-CD2 4.49Å; L621-L625 HydrophobicContact CD1-CG 4.05Å; L621-L625 HydrophobicContact CG-CD1 3.93Å; L621-L625 HydrophobicContact CG-CG 4.32Å; L621-L625 VanDerWaalsContact O-CG 3.28Å; L621-L625 WeakPolarHBondContact O-CG 3.45Å; L621-L625 PolarHBondContact O-N 2.93Å; V622-L625 PolarHBondContact O-N 3.44Å; V622-L625 VanDerWaalsContact O-N 3.09Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 2.97Å; L625-I628 PolarHBondContact O-N 3.46Å; L625-I628 VanDerWaalsContact O-N 3.07Å; L625-A629 WeakPolarHBondContact O-CB 3.48Å; L625-A629 PolarHBondContact O-N 3.42Å; L625-M636 HydrophobicContact CB-CE 4.27Å; L625-M636 HydrophobicContact CB-SD 4.18Å; L625-A714 HydrophobicContact CD2-CB 4.08Å; L625-A714 WeakPolarHBondContact CD2-O 3.48Å; L625-A714 HydrophobicContact CG-CB 4.5Å; L625-I717 HydrophobicContact CD2-CG2 4.25Å; L625-L718 HydrophobicContact CD2-CB 3.81Å
626	E	93.4	Very high	93.9	Very high	77 Å²	77	47.7 Å²	47.7	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-56.7	-44.7	176.8	-71.8	175.3	178.8	0	0	111.9	V622 I628 A629	V622-E626 HydrophobicContact CG1-CG 4.47Å; V622-E626 WeakPolarHBondContact O-CG 3.39Å; V622-E626 PolarHBondContact O-N 2.9Å; E626-I628 VanDerWaalsContact C-N 3.28Å; E626-I628 PolarHBondContact O-N 3.41Å; E626-A629 PolarHBondContact O-N 3.07Å
627	K	92.1	Very high	93.8	Very high	147 Å²	147	44 Å²	44	64%	0.639	24%	0.236	S	C	*	.	H	α-helix	trans	-61.3	-33.2	176.4	-76.1	173.3	-176	-179.5	0	113.6	N623 M624 L625	N623-K627 WeakPolarHBondContact O-CD 3.31Å; N623-K627 VanDerWaalsContact O-CG 3.23Å; N623-K627 WeakPolarHBondContact O-CG 3.44Å; N623-K627 PolarHBondContact O-N 3.33Å; M624-K627 PolarHBondContact O-N 3.21Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 2.97Å
628	I	92.1	Very high	93.8	Very high	6 Å²	6	46 Å²	46	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-90.3	-22.2	-177.8	-59.6	164.2	0	0	0	111.4	M624 L625 E626 G630 P631 I632 R711 A714 Q715 L718	M624-I628 HydrophobicContact CG-CD1 3.76Å; M624-I628 WeakPolarHBondContact O-CD1 3.29Å; M624-I628 VanDerWaalsContact O-CG1 3.23Å; M624-I628 WeakPolarHBondContact O-CG1 3.43Å; M624-I628 PolarHBondContact O-N 3.2Å; M624-I628 VanDerWaalsContact O-N 3.14Å; M624-I628 HydrophobicContact SD-CD1 4.08Å; M624-I628 HydrophobicContact SD-CG1 4.48Å; L625-I628 PolarHBondContact O-N 3.46Å; L625-I628 VanDerWaalsContact O-N 3.07Å; E626-I628 VanDerWaalsContact C-N 3.28Å; E626-I628 PolarHBondContact O-N 3.41Å; I628-G630 PolarHBondContact O-N 2.78Å; I628-P631 WeakPolarHBondContact O-CD 3.41Å; I628-I632 HydrophobicContact CG2-CD1 3.67Å; I628-I632 HydrophobicContact CG2-CG1 4.36Å; I628-I632 PolarHBondContact O-N 3.37Å; I628-R711 HydrophobicContact CD1-CG 4.1Å; I628-R711 WeakPolarHBondContact CD1-O 3.39Å; I628-A714 HydrophobicContact CD1-CB 3.94Å; I628-Q715 HydrophobicContact CD1-CB 4.3Å; I628-Q715 HydrophobicContact CG2-CB 4.39Å; I628-Q715 HydrophobicContact CG2-CG 4.37Å; I628-L718 HydrophobicContact CB-CD2 4.08Å; I628-L718 HydrophobicContact CG2-CD2 4Å
629	A	93.4	Very high	93.8	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-42.3	-178.7	0	0	0	0	0	113.1	L625 E626 I632 G633 M634 M636 L718	L625-A629 WeakPolarHBondContact O-CB 3.48Å; L625-A629 PolarHBondContact O-N 3.42Å; E626-A629 PolarHBondContact O-N 3.07Å; A629-I632 PolarHBondContact O-N 2.82Å; A629-G633 PolarHBondContact O-N 2.88Å; A629-G633 VanDerWaalsContact O-N 3.09Å; A629-M634 CarbonylContact C-O 3.56Å; A629-M634 VanDerWaalsContact C-O 3.27Å; A629-M634 HydrophobicContact CB-CB 4.43Å; A629-M634 VanDerWaalsContact CB-O 3.23Å; A629-M634 WeakPolarHBondContact CB-O 3.43Å; A629-M634 PolarHBondContact O-N 3.44Å; A629-M636 HydrophobicContact CB-CB 4.35Å; A629-M636 HydrophobicContact CB-CG 3.83Å; A629-M636 HydrophobicContact CB-SD 3.84Å; A629-L718 HydrophobicContact CB-CD2 4.01Å
630	G	89.6	Confident	93.7	Very high	57 Å²	57	42.6 Å²	42.6	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	-53.8	-59.5	178.2	0	0	0	0	0	113.7	I628 I632 G633	I628-G630 PolarHBondContact O-N 2.78Å; G630-I632 VanDerWaalsContact C-N 3.29Å; G630-I632 PolarHBondContact O-N 3.37Å; G630-G633 WeakPolarHBondContact O-CA 3.26Å; G630-G633 PolarHBondContact O-N 2.9Å
631	P	88.5	Confident	93.7	Very high	59 Å²	59	43.4 Å²	43.4	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-35.1	178	-29	36	0	0	0	115	T593 I628 G633	T593-P631 WeakPolarHBondContact O-CB 3.41Å; I628-P631 WeakPolarHBondContact O-CD 3.41Å; P631-G633 PolarHBondContact O-N 2.84Å
632	I	89.9	Confident	93.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-72.9	-15.2	176.7	-67.2	176	0	0	0	111.6	P596 S597 T600 I628 A629 G630 L718 L719	P596-I632 WeakPolarHBondContact CA-O 3.33Å; S597-I632 PolarHBondContact N-O 2.94Å; T600-I632 HydrophobicContact CG2-CG2 4.36Å; T600-I632 WeakPolarHBondContact CG2-O 3.22Å; I628-I632 HydrophobicContact CG2-CD1 3.67Å; I628-I632 HydrophobicContact CG2-CG1 4.36Å; I628-I632 PolarHBondContact O-N 3.37Å; A629-I632 PolarHBondContact O-N 2.82Å; G630-I632 VanDerWaalsContact C-N 3.29Å; G630-I632 PolarHBondContact O-N 3.37Å; I632-L718 HydrophobicContact CD1-CD2 3.78Å; I632-L718 HydrophobicContact CD1-CG 4.22Å; I632-L719 HydrophobicContact CD1-CD2 3.88Å; I632-L719 HydrophobicContact CD1-CG 4.45Å; I632-L719 HydrophobicContact CG2-CD2 4.47Å
633	G	92.1	Very high	93.8	Very high	36 Å²	36	48.5 Å²	48.5	37%	0.371	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	20.1	-176.7	0	0	0	0	0	113.3	T600 A629 G630 P631	T600-G633 WeakPolarHBondContact CB-O 3.02Å; T600-G633 PolarHBondContact OG1-O 3.38Å; A629-G633 PolarHBondContact O-N 2.88Å; A629-G633 VanDerWaalsContact O-N 3.09Å; G630-G633 WeakPolarHBondContact O-CA 3.26Å; G630-G633 PolarHBondContact O-N 2.9Å; P631-G633 PolarHBondContact O-N 2.84Å
634	M	94.4	Very high	93.8	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.03	25%	0.254	C	S	.	.			trans	-101.2	129.3	179	-173.7	174	171.2	0	0	110.1	T600 I601 M603 A629 M636 L718 I721 N722 L725	T600-M634 HydrophobicContact CG2-CB 4.12Å; I601-M634 WeakPolarHBondContact O-CE 3.32Å; M603-M634 HydrophobicContact CB-CE 3.64Å; M603-M634 HydrophobicContact CG-CE 4.42Å; M603-M634 HydrophobicContact SD-CE 3.82Å; A629-M634 CarbonylContact C-O 3.56Å; A629-M634 VanDerWaalsContact C-O 3.27Å; A629-M634 HydrophobicContact CB-CB 4.43Å; A629-M634 VanDerWaalsContact CB-O 3.23Å; A629-M634 WeakPolarHBondContact CB-O 3.43Å; A629-M634 PolarHBondContact O-N 3.44Å; M634-M636 HydrophobicContact CE-CG 4.11Å; M634-M636 HydrophobicContact CG-CG 4.28Å; M634-M636 HydrophobicContact SD-CG 4.49Å; M634-L718 HydrophobicContact CE-CD1 4.26Å; M634-L718 HydrophobicContact SD-CD1 3.55Å; M634-L718 VanDerWaalsContact SD-CD1 3.55Å; M634-L718 HydrophobicContact SD-CG 4.39Å; M634-I721 HydrophobicContact CE-CG2 4.03Å; M634-N722 HydrophobicContact SD-CB 4.08Å; M634-L725 HydrophobicContact CE-CD1 4.18Å
635	H	94.5	Very high	93.6	Very high	105 Å²	105	51.2 Å²	51.2	49%	0.486	28%	0.281	S	S	.	.			trans	-87.1	127.5	170.6	179.2	-84.5	0	0	0	109.8	P602 M603 H604 S637	P602-H635 HydrophobicContact CB-CB 4.34Å; M603-H635 PolarHBondContact N-O 2.83Å; H604-H635 AromaticContact CE1-ND1 3.94Å; H604-H635 AromaticContact ND1-ND1 3.93Å; H635-S637 PolarHBondContact CE1-OG 2.76Å
636	M	93.8	Very high	93.4	Very high	20 Å²	20	53 Å²	53	10%	0.099	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-124.7	119.2	176.6	-68.5	-171.1	72.6	0	0	110	M603 W606 L625 A629 M634 L718	M603-M636 HydrophobicContact CB-CG 4.36Å; M603-M636 HydrophobicContact CE-CE 4.26Å; M603-M636 HydrophobicContact SD-CE 3.87Å; W606-M636 HydrophobicContact CH2-CE 4.42Å; W606-M636 HydrophobicContact CZ2-CE 3.87Å; L625-M636 HydrophobicContact CB-CE 4.27Å; L625-M636 HydrophobicContact CB-SD 4.18Å; A629-M636 HydrophobicContact CB-CB 4.35Å; A629-M636 HydrophobicContact CB-CG 3.83Å; A629-M636 HydrophobicContact CB-SD 3.84Å; M634-M636 HydrophobicContact CE-CG 4.11Å; M634-M636 HydrophobicContact CG-CG 4.28Å; M634-M636 HydrophobicContact SD-CG 4.49Å; M636-L718 HydrophobicContact CE-CD1 4.34Å; M636-L718 HydrophobicContact SD-CD1 3.37Å; M636-L718 WeakPolarHBondContact SD-CD1 3.34Å
637	S	94.1	Very high	93.2	Very high	27 Å²	27	51.6 Å²	51.6	19%	0.189	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-79.8	159.4	169	-67	0	0	0	0	110.6	M603 H604 W606 H635	M603-S637 PolarHBondContact O-N 2.9Å; H604-S637 WeakPolarHBondContact O-CB 3.44Å; W606-S637 PolarHBondContact NE1-O 3.38Å; H635-S637 PolarHBondContact CE1-OG 2.76Å
638	P	94.1	Very high	93.2	Very high	95 Å²	95	52.3 Å²	52.3	62%	0.617	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-56.8	140.3	173.7	-24.9	34.7	0	0	0	111.7
639	P	95.8	Very high	93.3	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.052	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-69.9	156.1	177.3	25	-29.1	0	0	0	111.8	W606 L608 V622 W641	W606-P639 HydrophobicContact CD2-CB 3.66Å; W606-P639 HydrophobicContact CE3-CB 3.79Å; W606-P639 HydrophobicContact CG-CB 4.46Å; W606-P639 HydrophobicContact CH2-CB 3.73Å; W606-P639 HydrophobicContact CH2-CG 3.79Å; W606-P639 HydrophobicContact CZ2-CB 3.56Å; W606-P639 HydrophobicContact CZ2-CG 3.65Å; W606-P639 HydrophobicContact CZ3-CB 3.82Å; W606-P639 HydrophobicContact CZ3-CG 4.32Å; W606-P639 WeakPolarHBondContact O-CA 3.44Å; L608-P639 HydrophobicContact CB-CB 3.89Å; L608-P639 HydrophobicContact CB-CG 4.23Å; L608-P639 HydrophobicContact CD2-CG 4.48Å; V622-P639 HydrophobicContact CG1-CG 4.17Å; V622-P639 HydrophobicContact CG2-CG 3.96Å; P639-W641 HydrophobicContact CG-CD2 4.35Å; P639-W641 HydrophobicContact CG-CZ2 3.93Å; P639-W641 PolarHBondContact O-N 3.12Å; P639-W641 PolarHBondContact O-NE1 3.17Å
640	A	95.1	Very high	93.4	Very high	37 Å²	37	59.1 Å²	59.1	31%	0.306	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	110.9	154.6	0	0	0	0	0	108.9	W606 L608 V642 M659	W606-A640 PolarHBondContact O-N 3.09Å; L608-A640 PolarHBondContact N-O 2.89Å; A640-V642 PolarHBondContact O-N 3.31Å; A640-M659 HydrophobicContact CB-CE 3.35Å
641	W	96.6	Very high	93.7	Very high	103 Å²	103	57 Å²	57	39%	0.39	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.6	-179.6	-66	85.1	0	0	0	110.1	L608 Y610 A618 R619 V622 P639	L608-W641 HydrophobicContact CD2-CE3 4.17Å; L608-W641 HydrophobicContact CD2-CH2 4.08Å; L608-W641 HydrophobicContact CD2-CZ3 3.73Å; Y610-W641 HydrophobicContact CD1-CE3 4.28Å; Y610-W641 HydrophobicContact CE1-CB 4.27Å; Y610-W641 AromaticContact CE1-CE3 3.57Å; Y610-W641 HydrophobicContact CE1-CE3 3.57Å; Y610-W641 HydrophobicContact CE1-CZ3 4.33Å; Y610-W641 AromaticContact CZ-CE3 3.99Å; A618-W641 HydrophobicContact CB-CZ3 3.94Å; R619-W641 HydrophobicContact CB-CH2 4.48Å; R619-W641 HydrophobicContact CG-CH2 3.93Å; R619-W641 HydrophobicContact CG-CZ3 4.1Å; V622-W641 HydrophobicContact CB-CH2 3.94Å; V622-W641 HydrophobicContact CB-CZ2 4.09Å; V622-W641 HydrophobicContact CG1-CH2 4.44Å; V622-W641 HydrophobicContact CG1-CZ2 4.08Å; V622-W641 HydrophobicContact CG2-CH2 3.55Å; V622-W641 HydrophobicContact CG2-CZ2 3.89Å; V622-W641 HydrophobicContact CG2-CZ3 4.41Å; P639-W641 HydrophobicContact CG-CD2 4.35Å; P639-W641 HydrophobicContact CG-CZ2 3.93Å; P639-W641 PolarHBondContact O-N 3.12Å; P639-W641 PolarHBondContact O-NE1 3.17Å
642	V	96.5	Very high	94.1	Very high	25 Å²	25	54.2 Å²	54.2	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	98.3	179.5	-173	0	0	0	0	109.5	L608 F609 Y610 A640 T655 M659	L608-V642 PolarHBondContact O-N 2.86Å; F609-V642 WeakPolarHBondContact CA-O 3.19Å; F609-V642 HydrophobicContact CD1-CB 3.72Å; F609-V642 HydrophobicContact CD1-CG1 3.57Å; F609-V642 HydrophobicContact CD1-CG2 4.29Å; F609-V642 HydrophobicContact CE1-CB 3.97Å; F609-V642 HydrophobicContact CE1-CG1 3.7Å; F609-V642 HydrophobicContact CE1-CG2 4.08Å; F609-V642 HydrophobicContact CG-CB 4.25Å; F609-V642 HydrophobicContact CZ-CG2 4.39Å; Y610-V642 PolarHBondContact N-O 3.46Å; Y610-V642 VanDerWaalsContact N-O 3.11Å; A640-V642 PolarHBondContact O-N 3.31Å; V642-T655 HydrophobicContact CG1-CG2 3.58Å; V642-M659 HydrophobicContact CG2-CE 3.61Å; V642-M659 HydrophobicContact CG2-SD 4.02Å
643	E	97.2	Very high	94.4	Very high	87 Å²	87	55.5 Å²	55.5	41%	0.407	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.6	173.2	-175.1	173.1	127.2	0	0	110.5	Y610 K612	Y610-E643 HydrophobicContact CE2-CB 4.24Å; Y610-E643 HydrophobicContact CE2-CG 4.29Å; K612-E643 HydrophobicContact CB-CG 4.08Å; K612-E643 VanDerWaalsContact CD-OE1 3.3Å; K612-E643 WeakPolarHBondContact CD-OE1 3.31Å; K612-E643 WeakPolarHBondContact CG-OE1 3.48Å
644	L	96	Very high	94.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.5	176.4	-60	171.3	0	0	0	110.4	F609 Y610 K612 D646 T651 Y652 T655	F609-L644 HydrophobicContact CB-CD1 4.21Å; F609-L644 HydrophobicContact CD1-CD2 4.26Å; Y610-L644 PolarHBondContact O-N 3.22Å; K612-L644 PolarHBondContact N-O 2.8Å; L644-D646 VanDerWaalsContact C-N 3.29Å; L644-D646 PolarHBondContact O-N 3.28Å; L644-T651 HydrophobicContact CB-CG2 4.44Å; L644-T651 HydrophobicContact CD2-CG2 4.23Å; L644-Y652 HydrophobicContact CD1-CD1 3.47Å; L644-Y652 VanDerWaalsContact CD1-CD1 3.47Å; L644-Y652 HydrophobicContact CD1-CD2 3.84Å; L644-Y652 HydrophobicContact CD1-CE1 3.18Å; L644-Y652 HydrophobicContact CD1-CE2 3.58Å; L644-Y652 HydrophobicContact CD1-CG 3.79Å; L644-T655 HydrophobicContact CD2-CG2 4.09Å
645	K	91.9	Very high	94.6	Very high	172 Å²	172	64 Å²	64	75%	0.748	31%	0.307	S	S	*	.	S	Bend	trans	-61	-34.4	178.2	61.4	172.3	-172.7	174.6	0	113.8	T651	K645-T651 HydrophobicContact CD-CG2 4.38Å; K645-T651 WeakPolarHBondContact CE-OG1 3.12Å; K645-T651 HydrophobicContact CG-CG2 3.67Å
646	D	89.9	Confident	94.6	Very high	40 Å²	40	59 Å²	59	21%	0.214	28%	0.284	C	S	.	.	S	Bend	trans	-151.9	175.9	-177.7	62.1	49.1	0	0	0	109.5	L644 R648 T651	L644-D646 VanDerWaalsContact C-N 3.29Å; L644-D646 PolarHBondContact O-N 3.28Å; D646-R648 HydrophobicContact CB-CG 4.42Å; D646-R648 WeakPolarHBondContact OD1-CB 3.4Å; D646-R648 WeakPolarHBondContact OD1-CG 3.5Å; D646-R648 PolarHBondContact OD1-N 2.87Å; D646-T651 WeakPolarHBondContact OD1-CB 3.27Å; D646-T651 PolarHBondContact OD1-OG1 3.5Å; D646-T651 PolarHBondContact OD2-OG1 2.6Å
647	D	88.6	Confident	94.6	Very high	47 Å²	47	61.7 Å²	61.7	25%	0.251	30%	0.296	S	S	.	.			trans	-98.3	18.5	178.6	68.9	-7.2	0	0	0	113.9	P611 R613 Y652 R677	P611-D647 HydrophobicContact CG-CB 4.47Å; R613-D647 IonicContact CZ-OD2 3.9Å; R613-D647 IonicContact NH2-OD2 2.71Å; R613-D647 PolarHBondContact NH2-OD2 2.94Å; D647-Y652 HydrophobicContact CB-CE2 4.48Å; D647-R677 PolarHBondContact O-NH1 3.48Å; D647-R677 IonicContact OD1-NH1 3.63Å; D647-R677 IonicContact OD2-NH1 2.61Å
648	R	92.9	Very high	94.5	Very high	162 Å²	162	64.4 Å²	64.4	61%	0.611	32%	0.315	S	S	*	.			trans	-73.8	150.2	-177.9	-60.1	178.9	178	-172.1	1.8	112	D646 E650 T651 Y652	D646-R648 HydrophobicContact CB-CG 4.42Å; D646-R648 WeakPolarHBondContact OD1-CB 3.4Å; D646-R648 WeakPolarHBondContact OD1-CG 3.5Å; D646-R648 PolarHBondContact OD1-N 2.87Å; R648-E650 VanDerWaalsContact C-N 3.31Å; R648-E650 PolarHBondContact O-N 2.98Å; R648-T651 WeakPolarHBondContact O-CB 3.34Å; R648-T651 PolarHBondContact O-N 3.11Å; R648-Y652 WeakPolarHBondContact O-CD2 3.23Å; R648-Y652 PolarHBondContact O-N 3.44Å
649	I	94.7	Very high	94.3	Very high	44 Å²	44	60.9 Å²	60.9	23%	0.226	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-45.1	-177.1	-59.7	178.7	0	0	0	111	T651 Y652 V653 D679 L680 A683	I649-T651 VanDerWaalsContact C-N 3.25Å; I649-T651 PolarHBondContact O-N 2.87Å; I649-Y652 PolarHBondContact O-N 3.31Å; I649-V653 HydrophobicContact CG2-CG2 4.12Å; I649-V653 WeakPolarHBondContact O-CG2 3.49Å; I649-V653 PolarHBondContact O-N 2.98Å; I649-D679 HydrophobicContact CD1-CB 4.06Å; I649-D679 WeakPolarHBondContact CD1-OD2 3.29Å; I649-L680 HydrophobicContact CB-CD1 4.39Å; I649-L680 HydrophobicContact CG1-CB 4.37Å; I649-L680 HydrophobicContact CG1-CD1 4.16Å; I649-A683 HydrophobicContact CG2-CB 3.38Å
650	E	95.9	Very high	94	Very high	109 Å²	109	62 Å²	62	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-37	-177.6	-59.2	72.1	-155.2	0	0	111.1	R648 R654	R648-E650 VanDerWaalsContact C-N 3.31Å; R648-E650 PolarHBondContact O-N 2.98Å; E650-R654 VanDerWaalsContact O-CB 3.26Å; E650-R654 WeakPolarHBondContact O-CB 3.33Å; E650-R654 VanDerWaalsContact O-CG 3.24Å; E650-R654 WeakPolarHBondContact O-CG 3.4Å; E650-R654 PolarHBondContact O-N 2.64Å
651	T	95.4	Very high	93.4	Very high	12 Å²	12	63.5 Å²	63.5	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-48.2	178.5	-58.1	0	0	0	0	110.9	L644 K645 D646 R648 I649 T655	L644-T651 HydrophobicContact CB-CG2 4.44Å; L644-T651 HydrophobicContact CD2-CG2 4.23Å; K645-T651 HydrophobicContact CD-CG2 4.38Å; K645-T651 WeakPolarHBondContact CE-OG1 3.12Å; K645-T651 HydrophobicContact CG-CG2 3.67Å; D646-T651 WeakPolarHBondContact OD1-CB 3.27Å; D646-T651 PolarHBondContact OD1-OG1 3.5Å; D646-T651 PolarHBondContact OD2-OG1 2.6Å; R648-T651 WeakPolarHBondContact O-CB 3.34Å; R648-T651 PolarHBondContact O-N 3.11Å; I649-T651 VanDerWaalsContact C-N 3.25Å; I649-T651 PolarHBondContact O-N 2.87Å; T651-T655 VanDerWaalsContact O-CB 3.28Å; T651-T655 WeakPolarHBondContact O-CB 3.47Å; T651-T655 PolarHBondContact O-N 3.24Å; T651-T655 VanDerWaalsContact O-N 3.11Å; T651-T655 PolarHBondContact O-OG1 3.34Å
652	Y	96.4	Very high	92.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-53.2	174.6	-81.9	-98.2	0	0	0	111.2	P611 L644 D647 R648 I649 R654 T655 I656 C671 I672 I673 L680 I684	P611-Y652 WeakPolarHBondContact CD-OH 3.3Å; P611-Y652 VanDerWaalsContact CG-OH 3.24Å; P611-Y652 WeakPolarHBondContact CG-OH 3.38Å; L644-Y652 HydrophobicContact CD1-CD1 3.47Å; L644-Y652 VanDerWaalsContact CD1-CD1 3.47Å; L644-Y652 HydrophobicContact CD1-CD2 3.84Å; L644-Y652 HydrophobicContact CD1-CE1 3.18Å; L644-Y652 HydrophobicContact CD1-CE2 3.58Å; L644-Y652 HydrophobicContact CD1-CG 3.79Å; D647-Y652 HydrophobicContact CB-CE2 4.48Å; R648-Y652 WeakPolarHBondContact O-CD2 3.23Å; R648-Y652 PolarHBondContact O-N 3.44Å; I649-Y652 PolarHBondContact O-N 3.31Å; Y652-R654 PolarHBondContact O-N 2.67Å; Y652-T655 PolarHBondContact O-N 2.94Å; Y652-I656 WeakPolarHBondContact O-CB 3.27Å; Y652-I656 WeakPolarHBondContact O-CD1 3.44Å; Y652-I656 WeakPolarHBondContact O-CG1 3.47Å; Y652-I656 PolarHBondContact O-N 2.82Å; Y652-C671 HydrophobicContact CD1-CB 4.49Å; Y652-C671 HydrophobicContact CE1-CB 4.25Å; Y652-I672 PolarHBondContact OH-O 2.86Å; Y652-I673 HydrophobicContact CE1-CG2 4.38Å; Y652-L680 HydrophobicContact CD2-CD1 3.67Å; Y652-L680 HydrophobicContact CD2-CD2 4.01Å; Y652-L680 HydrophobicContact CD2-CG 4.47Å; Y652-L680 HydrophobicContact CE2-CD1 4.26Å; Y652-L680 HydrophobicContact CE2-CD2 3.72Å; Y652-L680 HydrophobicContact CG-CD1 3.82Å; Y652-I684 HydrophobicContact CD1-CD1 3.92Å; Y652-I684 HydrophobicContact CE1-CD1 4.45Å; Y652-I684 HydrophobicContact CG-CD1 4.42Å
653	V	95.9	Very high	91.1	Very high	28 Å²	28	66.2 Å²	66.2	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-49.6	-173.9	169.8	0	0	0	0	111.3	I649 Q657 A683 L687	I649-V653 HydrophobicContact CG2-CG2 4.12Å; I649-V653 WeakPolarHBondContact O-CG2 3.49Å; I649-V653 PolarHBondContact O-N 2.98Å; V653-Q657 WeakPolarHBondContact O-CB 3.32Å; V653-Q657 VanDerWaalsContact O-CG 3.26Å; V653-Q657 WeakPolarHBondContact O-CG 3.44Å; V653-Q657 PolarHBondContact O-N 3.29Å; V653-A683 HydrophobicContact CG2-CB 4.1Å; V653-L687 HydrophobicContact CB-CD2 4.49Å; V653-L687 HydrophobicContact CG1-CD2 4.22Å
654	R	95.4	Very high	89.4	Confident	177 Å²	177	65.8 Å²	65.8	67%	0.668	36%	0.364	S	S	*	.	H	α-helix	trans	-64.9	-41.7	-179.5	-70.9	179.5	-176	-171.5	3	112.4	E650 Y652 Q657 S658	E650-R654 VanDerWaalsContact O-CB 3.26Å; E650-R654 WeakPolarHBondContact O-CB 3.33Å; E650-R654 VanDerWaalsContact O-CG 3.24Å; E650-R654 WeakPolarHBondContact O-CG 3.4Å; E650-R654 PolarHBondContact O-N 2.64Å; Y652-R654 PolarHBondContact O-N 2.67Å; R654-Q657 PolarHBondContact O-N 2.96Å; R654-S658 WeakPolarHBondContact O-CB 3.4Å; R654-S658 PolarHBondContact O-N 2.77Å
655	T	95.4	Very high	88.7	Confident	45 Å²	45	73.4 Å²	73.4	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-69.2	-42.3	-178.1	-47.5	0	0	0	0	110.8	F609 V642 L644 T651 Y652 S658 M659	F609-T655 HydrophobicContact CD1-CG2 4.36Å; F609-T655 HydrophobicContact CE1-CG2 4.04Å; V642-T655 HydrophobicContact CG1-CG2 3.58Å; L644-T655 HydrophobicContact CD2-CG2 4.09Å; T651-T655 VanDerWaalsContact O-CB 3.28Å; T651-T655 WeakPolarHBondContact O-CB 3.47Å; T651-T655 PolarHBondContact O-N 3.24Å; T651-T655 VanDerWaalsContact O-N 3.11Å; T651-T655 PolarHBondContact O-OG1 3.34Å; Y652-T655 PolarHBondContact O-N 2.94Å; T655-S658 PolarHBondContact O-N 2.92Å; T655-M659 WeakPolarHBondContact O-CB 3.36Å; T655-M659 PolarHBondContact O-N 3.02Å
656	I	95.1	Very high	88.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-48.7	173.9	-65.2	163.9	0	0	0	110.1	F609 Y652 S658 M659 L660 V669 I684 L687	F609-I656 HydrophobicContact CD1-CG1 3.86Å; F609-I656 HydrophobicContact CD2-CG1 4.09Å; F609-I656 HydrophobicContact CE1-CB 4.28Å; F609-I656 HydrophobicContact CE1-CG1 3.6Å; F609-I656 HydrophobicContact CE2-CG1 3.85Å; F609-I656 HydrophobicContact CG-CG1 4.09Å; F609-I656 HydrophobicContact CZ-CB 4.12Å; F609-I656 HydrophobicContact CZ-CG1 3.59Å; F609-I656 HydrophobicContact CZ-CG2 4.49Å; Y652-I656 WeakPolarHBondContact O-CB 3.27Å; Y652-I656 WeakPolarHBondContact O-CD1 3.44Å; Y652-I656 WeakPolarHBondContact O-CG1 3.47Å; Y652-I656 PolarHBondContact O-N 2.82Å; I656-S658 PolarHBondContact O-N 3.47Å; I656-M659 PolarHBondContact O-N 3.48Å; I656-L660 HydrophobicContact CG2-CD1 3.73Å; I656-L660 HydrophobicContact CG2-CG 4.22Å; I656-L660 VanDerWaalsContact O-CG 3.28Å; I656-L660 WeakPolarHBondContact O-CG 3.31Å; I656-L660 PolarHBondContact O-N 3.32Å; I656-V669 HydrophobicContact CD1-CG1 4.28Å; I656-V669 HydrophobicContact CG1-CG1 4.38Å; I656-V669 HydrophobicContact CG2-CG1 4.33Å; I656-V669 HydrophobicContact CG2-CG2 4.28Å; I656-I684 HydrophobicContact CD1-CG1 4.3Å; I656-I684 HydrophobicContact CD1-CG2 4.45Å; I656-L687 HydrophobicContact CB-CD2 3.73Å; I656-L687 HydrophobicContact CD1-CD2 4.43Å; I656-L687 HydrophobicContact CG2-CD2 3.57Å; I656-L687 HydrophobicContact CG2-CG 4.43Å
657	Q	93.8	Very high	88.9	Confident	75 Å²	75	66.8 Å²	66.8	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-57.7	-46.8	178	-79.9	173.6	-17	0	0	112.5	V653 R654 M659 L660 G661 L687	V653-Q657 WeakPolarHBondContact O-CB 3.32Å; V653-Q657 VanDerWaalsContact O-CG 3.26Å; V653-Q657 WeakPolarHBondContact O-CG 3.44Å; V653-Q657 PolarHBondContact O-N 3.29Å; R654-Q657 PolarHBondContact O-N 2.96Å; Q657-M659 VanDerWaalsContact C-N 3.31Å; Q657-M659 PolarHBondContact O-N 3.47Å; Q657-L660 PolarHBondContact O-N 2.91Å; Q657-G661 PolarHBondContact O-N 2.92Å; Q657-L687 HydrophobicContact CG-CD1 3.38Å; Q657-L687 HydrophobicContact CG-CD2 3.88Å; Q657-L687 HydrophobicContact CG-CG 4.28Å
658	S	91.9	Very high	89.2	Confident	84 Å²	84	64.6 Å²	64.6	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-42.2	179.5	-172.8	0	0	0	0	111.7	R654 T655 I656 G661 A662	R654-S658 WeakPolarHBondContact O-CB 3.4Å; R654-S658 PolarHBondContact O-N 2.77Å; T655-S658 PolarHBondContact O-N 2.92Å; I656-S658 PolarHBondContact O-N 3.47Å; S658-G661 PolarHBondContact O-N 3.22Å; S658-A662 WeakPolarHBondContact O-CB 3.38Å; S658-A662 PolarHBondContact O-N 3.29Å
659	M	90.4	Very high	89.4	Confident	21 Å²	21	56.9 Å²	56.9	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-44.2	-179.5	-163.1	-159.1	-159.3	0	0	111.8	A607 F609 A640 V642 T655 I656 Q657 G661 A662 E663 I666	A607-M659 HydrophobicContact CB-CE 3.37Å; A607-M659 HydrophobicContact CB-SD 3.26Å; A607-M659 WeakPolarHBondContact CB-SD 3.26Å; F609-M659 HydrophobicContact CE1-SD 4.23Å; F609-M659 HydrophobicContact CE2-SD 4.06Å; F609-M659 HydrophobicContact CZ-CB 4.28Å; F609-M659 HydrophobicContact CZ-SD 3.43Å; F609-M659 WeakPolarHBondContact CZ-SD 3.19Å; A640-M659 HydrophobicContact CB-CE 3.35Å; V642-M659 HydrophobicContact CG2-CE 3.61Å; V642-M659 HydrophobicContact CG2-SD 4.02Å; T655-M659 WeakPolarHBondContact O-CB 3.36Å; T655-M659 PolarHBondContact O-N 3.02Å; I656-M659 PolarHBondContact O-N 3.48Å; Q657-M659 VanDerWaalsContact C-N 3.31Å; Q657-M659 PolarHBondContact O-N 3.47Å; M659-G661 VanDerWaalsContact C-N 3.25Å; M659-G661 PolarHBondContact O-N 3.47Å; M659-A662 PolarHBondContact O-N 3.24Å; M659-E663 WeakPolarHBondContact O-CB 3.27Å; M659-E663 PolarHBondContact O-N 3.45Å; M659-I666 HydrophobicContact CB-CD1 4.3Å; M659-I666 HydrophobicContact CE-CD1 4.05Å; M659-I666 HydrophobicContact CG-CD1 3.54Å; M659-I666 HydrophobicContact SD-CD1 3.41Å; M659-I666 WeakPolarHBondContact SD-CD1 3.42Å
660	L	89.6	Confident	89.5	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-31.7	176.1	-66.4	174.9	0	0	0	112.4	I656 Q657 I666 V669 V694	I656-L660 HydrophobicContact CG2-CD1 3.73Å; I656-L660 HydrophobicContact CG2-CG 4.22Å; I656-L660 VanDerWaalsContact O-CG 3.28Å; I656-L660 WeakPolarHBondContact O-CG 3.31Å; I656-L660 PolarHBondContact O-N 3.32Å; Q657-L660 PolarHBondContact O-N 2.91Å; L660-I666 HydrophobicContact CD2-CB 3.98Å; L660-I666 HydrophobicContact CD2-CD1 4.09Å; L660-I666 HydrophobicContact CD2-CG2 4.03Å; L660-V669 HydrophobicContact CD2-CG2 4.13Å; L660-V694 HydrophobicContact CD1-CG1 3.81Å; L660-V694 HydrophobicContact CD2-CB 4.35Å; L660-V694 HydrophobicContact CD2-CG1 4.02Å; L660-V694 HydrophobicContact CD2-CG2 4.38Å
661	G	81.8	Confident	89.6	Confident	69 Å²	69	49.7 Å²	49.7	71%	0.711	29%	0.293	S	S	*	.	H	α-helix	trans	-77.1	-34.3	176.6	0	0	0	0	0	114.1	Q657 S658 M659	Q657-G661 PolarHBondContact O-N 2.92Å; S658-G661 PolarHBondContact O-N 3.22Å; M659-G661 VanDerWaalsContact C-N 3.25Å; M659-G661 PolarHBondContact O-N 3.47Å
662	A	77.1	Confident	89.7	Confident	84 Å²	84	49.1 Å²	49.1	69%	0.694	29%	0.289	S	S	*	.	H	α-helix	trans	-81.9	-37.2	179	0	0	0	0	0	112.6	S658 M659	S658-A662 WeakPolarHBondContact O-CB 3.38Å; S658-A662 PolarHBondContact O-N 3.29Å; M659-A662 PolarHBondContact O-N 3.24Å
663	E	66.8	Low	89.6	Confident	100 Å²	100	49.6 Å²	49.6	47%	0.467	29%	0.292	S	S	.	.			trans	-116.2	83.9	-176.2	-63.6	-178.5	-168.3	0	0	109.9	M659 K665 I666	M659-E663 WeakPolarHBondContact O-CB 3.27Å; M659-E663 PolarHBondContact O-N 3.45Å; E663-K665 PolarHBondContact O-N 3.36Å; E663-I666 HydrophobicContact CB-CD1 4.05Å; E663-I666 HydrophobicContact CB-CG1 4.15Å; E663-I666 PolarHBondContact O-N 2.69Å
664	G	62.6	Low	89.4	Confident	79 Å²	79	50 Å²	50	81%	0.814	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	17.7	-179.6	0	0	0	0	0	116.1
665	K	81.4	Confident	88.9	Confident	161 Å²	161	42.3 Å²	42.3	70%	0.7	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	2.7	-175.4	-64.5	-175.2	-179.1	178.5	0	114.4	E663 Q667	E663-K665 PolarHBondContact O-N 3.36Å; K665-Q667 PolarHBondContact O-N 3.04Å
666	I	91.1	Very high	88.3	Confident	20 Å²	20	43 Å²	43	10%	0.103	27%	0.272	C	S	.	.			trans	-67.6	118.8	-177.9	-65.6	170.8	0	0	0	110.5	M659 L660 E663 M668 V669 V694	M659-I666 HydrophobicContact CB-CD1 4.3Å; M659-I666 HydrophobicContact CE-CD1 4.05Å; M659-I666 HydrophobicContact CG-CD1 3.54Å; M659-I666 HydrophobicContact SD-CD1 3.41Å; M659-I666 WeakPolarHBondContact SD-CD1 3.42Å; L660-I666 HydrophobicContact CD2-CB 3.98Å; L660-I666 HydrophobicContact CD2-CD1 4.09Å; L660-I666 HydrophobicContact CD2-CG2 4.03Å; E663-I666 HydrophobicContact CB-CD1 4.05Å; E663-I666 HydrophobicContact CB-CG1 4.15Å; E663-I666 PolarHBondContact O-N 2.69Å; I666-M668 WeakPolarHBondContact CG2-O 3.24Å; I666-V669 HydrophobicContact CG2-CG2 4.32Å; I666-V694 HydrophobicContact CG2-CG2 4.49Å
667	Q	93.6	Very high	87.9	Confident	54 Å²	54	45.5 Å²	45.5	25%	0.252	28%	0.282	S	S	.	.			trans	-81.4	-28.6	179.4	-60.3	174.3	-82.7	0	0	112.5	P602 F605 K665 L725	P602-Q667 PolarHBondContact O-NE2 2.64Å; P602-Q667 VanDerWaalsContact O-NE2 3.09Å; F605-Q667 WeakPolarHBondContact O-CB 3.33Å; F605-Q667 PolarHBondContact O-N 3.23Å; K665-Q667 PolarHBondContact O-N 3.04Å; Q667-L725 HydrophobicContact CB-CD2 4.21Å; Q667-L725 WeakPolarHBondContact O-CD2 3.37Å
668	M	95.4	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	138.7	-170.7	-175.7	62.6	156	0	0	112	M603 W606 A607 I666 V670 P695 Q697 I721 K724 L725	M603-M668 HydrophobicContact CE-CB 3.88Å; M603-M668 HydrophobicContact CE-CG 3.82Å; W606-M668 WeakPolarHBondContact CA-O 3.32Å; W606-M668 HydrophobicContact CB-CB 4.08Å; A607-M668 PolarHBondContact N-O 3.24Å; A607-M668 VanDerWaalsContact N-O 3.09Å; I666-M668 WeakPolarHBondContact CG2-O 3.24Å; M668-V670 HydrophobicContact CG-CG2 4.06Å; M668-P695 HydrophobicContact SD-CB 3.61Å; M668-Q697 HydrophobicContact CE-CB 3.52Å; M668-I721 HydrophobicContact CE-CB 4.26Å; M668-I721 HydrophobicContact CE-CG1 3.73Å; M668-I721 HydrophobicContact CE-CG2 4.22Å; M668-K724 HydrophobicContact CE-CB 4.38Å; M668-K724 HydrophobicContact CE-CD 3.84Å; M668-L725 HydrophobicContact CB-CD2 4.34Å
669	V	97.1	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.1	171.7	170.1	0	0	0	0	109.8	F609 I656 L660 I666 C671 V694 P695 S696 Q697	F609-V669 HydrophobicContact CD2-CG1 3.89Å; F609-V669 HydrophobicContact CE2-CG1 3.75Å; F609-V669 HydrophobicContact CE2-CG2 4.32Å; I656-V669 HydrophobicContact CD1-CG1 4.28Å; I656-V669 HydrophobicContact CG1-CG1 4.38Å; I656-V669 HydrophobicContact CG2-CG1 4.33Å; I656-V669 HydrophobicContact CG2-CG2 4.28Å; L660-V669 HydrophobicContact CD2-CG2 4.13Å; I666-V669 HydrophobicContact CG2-CG2 4.32Å; V669-C671 VanDerWaalsContact CG1-SG 3.58Å; V669-V694 HydrophobicContact CB-CG1 4.46Å; V669-V694 HydrophobicContact CG2-CG1 3.75Å; V669-V694 HydrophobicContact CG2-CG2 4.34Å; V669-P695 PolarHBondContact N-O 3.38Å; V669-S696 CarbonylContact O-C 3.53Å; V669-S696 WeakPolarHBondContact O-CA 3.33Å; V669-Q697 PolarHBondContact O-N 3.31Å
670	V	97.9	Very high	87.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.6	173.8	-174	0	0	0	0	109.2	M603 W606 A607 L608 F609 M668 Q697 V699	M603-V670 HydrophobicContact CE-CG2 4.35Å; W606-V670 HydrophobicContact CE3-CB 4.18Å; W606-V670 HydrophobicContact CE3-CG2 3.61Å; W606-V670 HydrophobicContact CZ3-CB 3.92Å; W606-V670 HydrophobicContact CZ3-CG1 4.49Å; W606-V670 HydrophobicContact CZ3-CG2 3.59Å; A607-V670 PolarHBondContact O-N 3.48Å; L608-V670 CarbonylContact C-O 3.55Å; L608-V670 WeakPolarHBondContact CA-O 3.48Å; L608-V670 HydrophobicContact CD1-CB 3.85Å; L608-V670 HydrophobicContact CD1-CG1 3.59Å; F609-V670 PolarHBondContact N-O 3.36Å; M668-V670 HydrophobicContact CG-CG2 4.06Å; V670-Q697 CarbonylContact C-O 3.57Å; V670-Q697 VanDerWaalsContact CA-O 3.29Å; V670-Q697 WeakPolarHBondContact CA-O 3.17Å; V670-Q697 HydrophobicContact CG1-CB 4.42Å; V670-Q697 HydrophobicContact CG2-CB 4.27Å; V670-V699 HydrophobicContact CG1-CG2 4.42Å
671	C	97.8	Very high	88.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.9	-179.2	-58.3	0	0	0	0	111	F609 Y652 V669 I684 Q697 V698 V699	F609-C671 WeakPolarHBondContact O-CA 3.27Å; Y652-C671 HydrophobicContact CD1-CB 4.49Å; Y652-C671 HydrophobicContact CE1-CB 4.25Å; V669-C671 VanDerWaalsContact CG1-SG 3.58Å; C671-I684 HydrophobicContact CB-CD1 4Å; C671-Q697 PolarHBondContact N-O 3.33Å; C671-V698 CarbonylContact O-C 3.55Å; C671-V698 WeakPolarHBondContact O-CA 3.09Å; C671-V699 PolarHBondContact O-N 3.36Å
672	I	96.8	Very high	88.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.8	169.6	-64.8	173.5	0	0	0	108.5	L608 F609 P611 A614 A618 L621 Y652 V699 V701 I704	L608-I672 HydrophobicContact CD1-CD1 4.09Å; L608-I672 HydrophobicContact CD1-CG1 4.13Å; F609-I672 PolarHBondContact O-N 3.44Å; P611-I672 VanDerWaalsContact CD-O 3.29Å; P611-I672 WeakPolarHBondContact CD-O 3.39Å; A614-I672 HydrophobicContact CB-CG2 4.06Å; A618-I672 HydrophobicContact CB-CD1 3.47Å; A618-I672 VanDerWaalsContact CB-CD1 3.47Å; L621-I672 HydrophobicContact CD2-CD1 4.44Å; Y652-I672 PolarHBondContact OH-O 2.86Å; I672-V699 CarbonylContact C-O 3.27Å; I672-V699 VanDerWaalsContact CA-O 3.31Å; I672-V699 WeakPolarHBondContact CA-O 3.5Å; I672-V699 HydrophobicContact CG1-CB 4.48Å; I672-V701 HydrophobicContact CG2-CB 4.19Å; I672-I704 HydrophobicContact CD1-CD1 4.06Å; I672-I704 HydrophobicContact CG1-CD1 4.43Å; I672-I704 HydrophobicContact CG2-CD1 4.44Å
673	I	95.1	Very high	89.6	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.1	179.2	64.5	166.9	0	0	0	111.7	Y652 L680 I684 V698 V699 V701	Y652-I673 HydrophobicContact CE1-CG2 4.38Å; I673-L680 HydrophobicContact CB-CD2 4.15Å; I673-L680 HydrophobicContact CG2-CD2 3.6Å; I673-L680 HydrophobicContact CG2-CG 4.21Å; I673-I684 HydrophobicContact CG2-CD1 4.34Å; I673-V698 HydrophobicContact CB-CG1 4.43Å; I673-V698 HydrophobicContact CD1-CG1 3.68Å; I673-V698 HydrophobicContact CG1-CG1 3.82Å; I673-V698 HydrophobicContact CG2-CG1 3.78Å; I673-V699 PolarHBondContact N-O 3.42Å; I673-V701 PolarHBondContact O-N 3.01Å
674	M	90.6	Very high	91	Very high	37 Å²	37	36.9 Å²	36.9	18%	0.182	21%	0.208	C	C	.	.			trans	-99.8	121.9	-178.9	-59.6	-70.3	-51.9	0	0	109.8	P611 R613 A614 V701	P611-M674 HydrophobicContact CG-CG 3.96Å; R613-M674 HydrophobicContact CG-CE 4.16Å; R613-M674 HydrophobicContact CG-SD 4.14Å; R613-M674 VanDerWaalsContact NH2-CG 3.28Å; A614-M674 HydrophobicContact CB-SD 4.09Å; M674-V701 HydrophobicContact CE-CG1 3.77Å; M674-V701 HydrophobicContact SD-CB 3.89Å; M674-V701 HydrophobicContact SD-CG1 3.63Å; M674-V701 HydrophobicContact SD-CG2 4.09Å
675	G	85.1	Confident	92.6	Very high	14 Å²	14	33.2 Å²	33.2	14%	0.144	17%	0.17	C	C	.	.	S	Bend	trans	69.7	-169.9	180	0	0	0	0	0	113.5	R677 N700	G675-R677 PolarHBondContact O-N 3.16Å; G675-N700 PolarHBondContact O-ND2 2.85Å
676	T	83.6	Confident	93.3	Very high	61 Å²	61	29.2 Å²	29.2	37%	0.374	15%	0.153	S	C	.	.			trans	-93.7	90.9	179.8	49.8	0	0	0	0	109.5	G129	G129-T676 VanDerWaalsContact O-CG2 3.27Å; G129-T676 WeakPolarHBondContact O-CG2 3.35Å
677	R	87	Confident	93.6	Very high	52 Å²	52	28.3 Å²	28.3	20%	0.196	15%	0.148	C	C	.	.			trans	-113.5	81.4	-176.3	-72.7	-162.3	64.5	177.7	-7	111.6	D647 G675 D679 L680 Y681	D647-R677 PolarHBondContact O-NH1 3.48Å; D647-R677 IonicContact OD1-NH1 3.63Å; D647-R677 IonicContact OD2-NH1 2.61Å; G675-R677 PolarHBondContact O-N 3.16Å; R677-D679 VanDerWaalsContact CA-OD1 3.26Å; R677-D679 WeakPolarHBondContact CA-OD1 3.44Å; R677-D679 VanDerWaalsContact CB-OD1 3.26Å; R677-D679 WeakPolarHBondContact CB-OD1 3.22Å; R677-D679 IonicContact CZ-OD2 3.81Å; R677-D679 IonicContact NE-OD1 3.91Å; R677-D679 IonicContact NE-OD2 3.6Å; R677-D679 PolarHBondContact NE-OD2 2.64Å; R677-D679 IonicContact NH2-OD2 2.68Å; R677-D679 PolarHBondContact NH2-OD2 3.49Å; R677-D679 PolarHBondContact O-N 3.48Å; R677-L680 HydrophobicContact CB-CB 3.87Å; R677-L680 PolarHBondContact O-N 3.04Å; R677-Y681 WeakPolarHBondContact O-CB 3.45Å; R677-Y681 PolarHBondContact O-N 3.23Å
678	D	87.4	Confident	93.7	Very high	99 Å²	99	25.8 Å²	25.8	53%	0.529	14%	0.136	S	C	.	.	H	α-helix	trans	-66.6	-29.1	-178	-60.6	-18.5	0	0	0	111.6	S131 G682	S131-D678 WeakPolarHBondContact CB-OD1 3.23Å; S131-D678 WeakPolarHBondContact CB-OD2 3.43Å; S131-D678 PolarHBondContact OG-OD1 3.27Å; D678-G682 PolarHBondContact O-N 3.01Å
679	D	91.3	Very high	93.7	Very high	84 Å²	84	25.9 Å²	25.9	45%	0.449	14%	0.137	S	C	.	.	H	α-helix	trans	-57.3	-53.3	170	60.8	-37.1	0	0	0	112	I649 R677 G682 A683	I649-D679 HydrophobicContact CD1-CB 4.06Å; I649-D679 WeakPolarHBondContact CD1-OD2 3.29Å; R677-D679 VanDerWaalsContact CA-OD1 3.26Å; R677-D679 WeakPolarHBondContact CA-OD1 3.44Å; R677-D679 VanDerWaalsContact CB-OD1 3.26Å; R677-D679 WeakPolarHBondContact CB-OD1 3.22Å; R677-D679 IonicContact CZ-OD2 3.81Å; R677-D679 IonicContact NE-OD1 3.91Å; R677-D679 IonicContact NE-OD2 3.6Å; R677-D679 PolarHBondContact NE-OD2 2.64Å; R677-D679 IonicContact NH2-OD2 2.68Å; R677-D679 PolarHBondContact NH2-OD2 3.49Å; R677-D679 PolarHBondContact O-N 3.48Å; D679-G682 PolarHBondContact O-N 2.92Å; D679-A683 PolarHBondContact O-N 3.32Å
680	L	94.8	Very high	93.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-43.3	-179.7	177.2	60.2	0	0	0	111.3	I649 Y652 I673 R677 G682 A683 I684	I649-L680 HydrophobicContact CB-CD1 4.39Å; I649-L680 HydrophobicContact CG1-CB 4.37Å; I649-L680 HydrophobicContact CG1-CD1 4.16Å; Y652-L680 HydrophobicContact CD2-CD1 3.67Å; Y652-L680 HydrophobicContact CD2-CD2 4.01Å; Y652-L680 HydrophobicContact CD2-CG 4.47Å; Y652-L680 HydrophobicContact CE2-CD1 4.26Å; Y652-L680 HydrophobicContact CE2-CD2 3.72Å; Y652-L680 HydrophobicContact CG-CD1 3.82Å; I673-L680 HydrophobicContact CB-CD2 4.15Å; I673-L680 HydrophobicContact CG2-CD2 3.6Å; I673-L680 HydrophobicContact CG2-CG 4.21Å; R677-L680 HydrophobicContact CB-CB 3.87Å; R677-L680 PolarHBondContact O-N 3.04Å; L680-G682 VanDerWaalsContact C-N 3.28Å; L680-G682 PolarHBondContact O-N 3.31Å; L680-A683 PolarHBondContact O-N 2.88Å; L680-I684 HydrophobicContact CD1-CD1 3.98Å; L680-I684 HydrophobicContact CD1-CG1 4.22Å; L680-I684 HydrophobicContact CG-CD1 3.94Å; L680-I684 WeakPolarHBondContact O-CG1 3.44Å; L680-I684 PolarHBondContact O-N 3.4Å
681	Y	95.2	Very high	93.4	Very high	66 Å²	66	33.9 Å²	33.9	26%	0.259	18%	0.177	S	C	.	.	H	α-helix	trans	-56.3	-45	174.6	173.5	-95.8	0	0	0	111.1	R677 K685 V698 I957	R677-Y681 WeakPolarHBondContact O-CB 3.45Å; R677-Y681 PolarHBondContact O-N 3.23Å; Y681-K685 HydrophobicContact CD1-CG 4.39Å; Y681-K685 HydrophobicContact CD2-CG 4.37Å; Y681-K685 HydrophobicContact CE1-CG 3.95Å; Y681-K685 HydrophobicContact CE2-CD 4.45Å; Y681-K685 HydrophobicContact CE2-CG 3.94Å; Y681-K685 WeakPolarHBondContact O-CB 3.39Å; Y681-K685 VanDerWaalsContact O-CG 3.32Å; Y681-K685 WeakPolarHBondContact O-CG 3.49Å; Y681-K685 PolarHBondContact O-N 3.49Å; Y681-V698 HydrophobicContact CD2-CB 3.91Å; Y681-V698 HydrophobicContact CD2-CG1 4.09Å; Y681-V698 HydrophobicContact CD2-CG2 3.9Å; Y681-V698 HydrophobicContact CE2-CB 4.2Å; Y681-V698 HydrophobicContact CE2-CG2 4.18Å; Y681-I957 HydrophobicContact CD1-CD1 4.47Å; Y681-I957 HydrophobicContact CD1-CG1 4.5Å; Y681-I957 HydrophobicContact CD1-CG2 4.27Å; Y681-I957 HydrophobicContact CE1-CD1 3.64Å; Y681-I957 HydrophobicContact CE1-CG1 4.09Å; Y681-I957 HydrophobicContact CE1-CG2 4.08Å
682	G	94.7	Very high	93.1	Very high	10 Å²	10	35.6 Å²	35.6	10%	0.103	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-41.6	177.5	0	0	0	0	0	113.3	D678 D679 L680 K685 K686	D678-G682 PolarHBondContact O-N 3.01Å; D679-G682 PolarHBondContact O-N 2.92Å; L680-G682 VanDerWaalsContact C-N 3.28Å; L680-G682 PolarHBondContact O-N 3.31Å; G682-K685 PolarHBondContact O-N 3.44Å; G682-K686 WeakPolarHBondContact O-CB 3.47Å; G682-K686 VanDerWaalsContact O-CG 3.32Å; G682-K686 WeakPolarHBondContact O-CG 3.07Å; G682-K686 PolarHBondContact O-N 3.04Å
683	A	96.3	Very high	93	Very high	23 Å²	23	38 Å²	38	19%	0.19	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-47.2	176.4	0	0	0	0	0	112.5	I649 V653 D679 L680 K685 K686 L687	I649-A683 HydrophobicContact CG2-CB 3.38Å; V653-A683 HydrophobicContact CG2-CB 4.1Å; D679-A683 PolarHBondContact O-N 3.32Å; L680-A683 PolarHBondContact O-N 2.88Å; A683-K685 VanDerWaalsContact C-N 3.33Å; A683-K685 PolarHBondContact O-N 3.45Å; A683-K686 PolarHBondContact O-N 2.73Å; A683-L687 WeakPolarHBondContact O-CB 3.32Å; A683-L687 PolarHBondContact O-N 2.82Å
684	I	96.8	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-44.1	176.6	-66.5	166.5	0	0	0	110.3	Y652 I656 C671 I673 L680 L687 C688 V698	Y652-I684 HydrophobicContact CD1-CD1 3.92Å; Y652-I684 HydrophobicContact CE1-CD1 4.45Å; Y652-I684 HydrophobicContact CG-CD1 4.42Å; I656-I684 HydrophobicContact CD1-CG1 4.3Å; I656-I684 HydrophobicContact CD1-CG2 4.45Å; C671-I684 HydrophobicContact CB-CD1 4Å; I673-I684 HydrophobicContact CG2-CD1 4.34Å; L680-I684 HydrophobicContact CD1-CD1 3.98Å; L680-I684 HydrophobicContact CD1-CG1 4.22Å; L680-I684 HydrophobicContact CG-CD1 3.94Å; L680-I684 WeakPolarHBondContact O-CG1 3.44Å; L680-I684 PolarHBondContact O-N 3.4Å; I684-L687 PolarHBondContact O-N 2.82Å; I684-C688 WeakPolarHBondContact O-CB 3.12Å; I684-C688 PolarHBondContact O-N 3.43Å; I684-C688 PolarHBondContact O-SG 3.22Å; I684-C688 VanDerWaalsContact O-SG 3.4Å; I684-V698 HydrophobicContact CG2-CG2 4.11Å
685	K	96.6	Very high	93.2	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-41.1	179.7	-74.3	-68.7	175	-168	0	112.7	Y681 G682 A683 C688 C689 S696 L953 I957 L958	Y681-K685 HydrophobicContact CD1-CG 4.39Å; Y681-K685 HydrophobicContact CD2-CG 4.37Å; Y681-K685 HydrophobicContact CE1-CG 3.95Å; Y681-K685 HydrophobicContact CE2-CD 4.45Å; Y681-K685 HydrophobicContact CE2-CG 3.94Å; Y681-K685 WeakPolarHBondContact O-CB 3.39Å; Y681-K685 VanDerWaalsContact O-CG 3.32Å; Y681-K685 WeakPolarHBondContact O-CG 3.49Å; Y681-K685 PolarHBondContact O-N 3.49Å; G682-K685 PolarHBondContact O-N 3.44Å; A683-K685 VanDerWaalsContact C-N 3.33Å; A683-K685 PolarHBondContact O-N 3.45Å; K685-C688 PolarHBondContact O-N 3.29Å; K685-C689 WeakPolarHBondContact O-CB 3.47Å; K685-C689 PolarHBondContact O-N 2.69Å; K685-C689 PolarHBondContact O-SG 2.87Å; K685-S696 PolarHBondContact NZ-O 2.98Å; K685-S696 PolarHBondContact NZ-OG 3.4Å; K685-L953 HydrophobicContact CD-CD1 4.44Å; K685-L953 HydrophobicContact CG-CD1 4.43Å; K685-I957 HydrophobicContact CB-CG2 4.07Å; K685-L958 HydrophobicContact CB-CD2 3.89Å; K685-L958 WeakPolarHBondContact O-CD2 3.23Å
686	K	95.8	Very high	93.8	Very high	77 Å²	77	36.1 Å²	36.1	34%	0.335	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-44.8	173.9	-75.8	178.9	-173.6	-174.4	0	111.6	G682 A683 V690 Q691 I957 L958	G682-K686 WeakPolarHBondContact O-CB 3.47Å; G682-K686 VanDerWaalsContact O-CG 3.32Å; G682-K686 WeakPolarHBondContact O-CG 3.07Å; G682-K686 PolarHBondContact O-N 3.04Å; A683-K686 PolarHBondContact O-N 2.73Å; K686-V690 VanDerWaalsContact O-CB 3.27Å; K686-V690 WeakPolarHBondContact O-CB 3.3Å; K686-V690 PolarHBondContact O-N 2.93Å; K686-Q691 PolarHBondContact O-N 3.23Å; K686-I957 WeakPolarHBondContact CE-O 3.4Å; K686-L958 VanDerWaalsContact CE-O 3.3Å; K686-L958 WeakPolarHBondContact CE-O 3.5Å; K686-L958 HydrophobicContact CG-CD2 4.16Å
687	L	96.1	Very high	94.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.178	C	C	.	.	I	π-helix	trans	-57.1	-58.9	175.3	172.7	57.5	0	0	0	110.8	V653 I656 Q657 A683 I684 C689 Q691 S692	V653-L687 HydrophobicContact CB-CD2 4.49Å; V653-L687 HydrophobicContact CG1-CD2 4.22Å; I656-L687 HydrophobicContact CB-CD2 3.73Å; I656-L687 HydrophobicContact CD1-CD2 4.43Å; I656-L687 HydrophobicContact CG2-CD2 3.57Å; I656-L687 HydrophobicContact CG2-CG 4.43Å; Q657-L687 HydrophobicContact CG-CD1 3.38Å; Q657-L687 HydrophobicContact CG-CD2 3.88Å; Q657-L687 HydrophobicContact CG-CG 4.28Å; A683-L687 WeakPolarHBondContact O-CB 3.32Å; A683-L687 PolarHBondContact O-N 2.82Å; I684-L687 PolarHBondContact O-N 2.82Å; L687-C689 PolarHBondContact O-N 2.9Å; L687-Q691 HydrophobicContact CD1-CB 4.12Å; L687-Q691 PolarHBondContact O-N 3.09Å; L687-Q691 VanDerWaalsContact O-N 3.14Å; L687-S692 PolarHBondContact O-N 3.26Å
688	C	96	Very high	95	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-73.8	-24.3	-171.9	-65.6	0	0	0	0	114.7	I684 K685 S692 P693 V694	I684-C688 WeakPolarHBondContact O-CB 3.12Å; I684-C688 PolarHBondContact O-N 3.43Å; I684-C688 PolarHBondContact O-SG 3.22Å; I684-C688 VanDerWaalsContact O-SG 3.4Å; K685-C688 PolarHBondContact O-N 3.29Å; C688-S692 CarbonylContact C-O 3.57Å; C688-S692 WeakPolarHBondContact CA-O 3.27Å; C688-S692 VanDerWaalsContact O-O 3.12Å; C688-P693 CarbonylContact O-C 3.49Å; C688-P693 VanDerWaalsContact O-CA 3.27Å; C688-P693 WeakPolarHBondContact O-CA 3.32Å; C688-V694 HydrophobicContact CB-CG1 4.03Å; C688-V694 WeakPolarHBondContact CB-O 3.33Å; C688-V694 PolarHBondContact O-N 3.29Å
689	C	96.3	Very high	95.4	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.152	C	C	.	.	I	π-helix	trans	-100.5	-20.2	-176.8	-55.3	0	0	0	0	113.6	K685 L687 L958 P962 A963 L966 F971	K685-C689 WeakPolarHBondContact O-CB 3.47Å; K685-C689 PolarHBondContact O-N 2.69Å; K685-C689 PolarHBondContact O-SG 2.87Å; L687-C689 PolarHBondContact O-N 2.9Å; C689-L958 HydrophobicContact CB-CD1 3.91Å; C689-L958 HydrophobicContact CB-CD2 4.02Å; C689-P962 WeakPolarHBondContact O-CA 3.47Å; C689-A963 WeakPolarHBondContact O-CB 3.49Å; C689-A963 PolarHBondContact O-N 3.41Å; C689-L966 HydrophobicContact CB-CD1 4.33Å; C689-F971 HydrophobicContact CB-CE2 4.48Å
690	V	94.6	Very high	95.5	Very high	48 Å²	48	25 Å²	25	29%	0.291	14%	0.136	S	C	.	.	I	π-helix	trans	-121.5	-50.5	-173.1	-174.3	0	0	0	0	111.7	K686 H960	K686-V690 VanDerWaalsContact O-CB 3.27Å; K686-V690 WeakPolarHBondContact O-CB 3.3Å; K686-V690 PolarHBondContact O-N 2.93Å; V690-H960 HydrophobicContact CG1-CB 4.18Å; V690-H960 HydrophobicContact CG2-CB 4.02Å
691	Q	93.3	Very high	95.4	Very high	122 Å²	122	25.7 Å²	25.7	57%	0.57	14%	0.14	S	C	*	.	I	π-helix	trans	-87.1	-45.1	-171.4	-62.9	175.9	-9	0	0	112.9	K686 L687	K686-Q691 PolarHBondContact O-N 3.23Å; L687-Q691 HydrophobicContact CD1-CB 4.12Å; L687-Q691 PolarHBondContact O-N 3.09Å; L687-Q691 VanDerWaalsContact O-N 3.14Å
692	S	92.9	Very high	95.2	Very high	36 Å²	36	28.2 Å²	28.2	25%	0.252	15%	0.15	S	C	.	.	S	Bend	trans	-133.6	86.6	-176.4	-56	0	0	0	0	107.9	L687 C688 V694	L687-S692 PolarHBondContact O-N 3.26Å; C688-S692 CarbonylContact C-O 3.57Å; C688-S692 WeakPolarHBondContact CA-O 3.27Å; C688-S692 VanDerWaalsContact O-O 3.12Å; S692-V694 PolarHBondContact O-N 3.34Å
693	P	93.6	Very high	94.8	Very high	52 Å²	52	30.5 Å²	30.5	34%	0.338	16%	0.161	S	C	.	.			trans	-63.4	103.8	-168.7	24.2	-33.2	0	0	0	111.9	C688 A963 Q965 L966	C688-P693 CarbonylContact O-C 3.49Å; C688-P693 VanDerWaalsContact O-CA 3.27Å; C688-P693 WeakPolarHBondContact O-CA 3.32Å; P693-A963 HydrophobicContact CB-CB 3.74Å; P693-A963 HydrophobicContact CG-CB 4.29Å; P693-Q965 HydrophobicContact CB-CB 4.2Å; P693-Q965 HydrophobicContact CG-CB 4.39Å; P693-Q965 HydrophobicContact CG-CG 4.35Å; P693-L966 HydrophobicContact CB-CD1 4.4Å; P693-L966 HydrophobicContact CB-CG 4.19Å
694	V	94.8	Very high	94.6	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	15%	0.152	C	C	.	.			trans	-146.9	136.2	174.2	66.2	0	0	0	0	108.8	L660 I666 V669 C688 S692 S696	L660-V694 HydrophobicContact CD1-CG1 3.81Å; L660-V694 HydrophobicContact CD2-CB 4.35Å; L660-V694 HydrophobicContact CD2-CG1 4.02Å; L660-V694 HydrophobicContact CD2-CG2 4.38Å; I666-V694 HydrophobicContact CG2-CG2 4.49Å; V669-V694 HydrophobicContact CB-CG1 4.46Å; V669-V694 HydrophobicContact CG2-CG1 3.75Å; V669-V694 HydrophobicContact CG2-CG2 4.34Å; C688-V694 HydrophobicContact CB-CG1 4.03Å; C688-V694 WeakPolarHBondContact CB-O 3.33Å; C688-V694 PolarHBondContact O-N 3.29Å; S692-V694 PolarHBondContact O-N 3.34Å; V694-S696 PolarHBondContact O-N 2.92Å
695	P	96.3	Very high	94.1	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.091	17%	0.171	C	C	.	.			trans	-55.3	141.7	171.8	-25.9	35.5	0	0	0	111.6	M668 V669 K724 L966	M668-P695 HydrophobicContact SD-CB 3.61Å; V669-P695 PolarHBondContact N-O 3.38Å; P695-K724 HydrophobicContact CB-CB 4.2Å; P695-K724 WeakPolarHBondContact CG-O 3.32Å; P695-L966 HydrophobicContact CG-CD2 4.16Å
696	S	97.3	Very high	93.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.4	179.7	65.8	0	0	0	0	114.7	V669 K685 V694 K724	V669-S696 CarbonylContact O-C 3.53Å; V669-S696 WeakPolarHBondContact O-CA 3.33Å; K685-S696 PolarHBondContact NZ-O 2.98Å; K685-S696 PolarHBondContact NZ-OG 3.4Å; V694-S696 PolarHBondContact O-N 2.92Å; S696-K724 PolarHBondContact O-NZ 2.88Å
697	Q	97.8	Very high	93	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.1	173.7	-176.4	66.1	31.6	0	0	110.2	M668 V669 V670 C671 V699 I717 Q720 I721	M668-Q697 HydrophobicContact CE-CB 3.52Å; V669-Q697 PolarHBondContact O-N 3.31Å; V670-Q697 CarbonylContact C-O 3.57Å; V670-Q697 VanDerWaalsContact CA-O 3.29Å; V670-Q697 WeakPolarHBondContact CA-O 3.17Å; V670-Q697 HydrophobicContact CG1-CB 4.42Å; V670-Q697 HydrophobicContact CG2-CB 4.27Å; C671-Q697 PolarHBondContact N-O 3.33Å; Q697-V699 HydrophobicContact CG-CG2 4.01Å; Q697-I717 HydrophobicContact CG-CG2 4.07Å; Q697-Q720 VanDerWaalsContact OE1-CD 3.22Å; Q697-I721 HydrophobicContact CB-CG1 4.39Å; Q697-I721 HydrophobicContact CG-CG1 4.4Å
698	V	97.1	Very high	92.6	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	175.2	-175.4	0	0	0	0	108.4	C671 I673 Y681 I684	C671-V698 CarbonylContact O-C 3.55Å; C671-V698 WeakPolarHBondContact O-CA 3.09Å; I673-V698 HydrophobicContact CB-CG1 4.43Å; I673-V698 HydrophobicContact CD1-CG1 3.68Å; I673-V698 HydrophobicContact CG1-CG1 3.82Å; I673-V698 HydrophobicContact CG2-CG1 3.78Å; Y681-V698 HydrophobicContact CD2-CB 3.91Å; Y681-V698 HydrophobicContact CD2-CG1 4.09Å; Y681-V698 HydrophobicContact CD2-CG2 3.9Å; Y681-V698 HydrophobicContact CE2-CB 4.2Å; Y681-V698 HydrophobicContact CE2-CG2 4.18Å; I684-V698 HydrophobicContact CG2-CG2 4.11Å
699	V	96.4	Very high	92.2	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.4	-176	-175.9	0	0	0	0	108.9	L621 V670 C671 I672 I673 Q697 I704 I717	L621-V699 HydrophobicContact CD2-CG1 4.28Å; L621-V699 HydrophobicContact CD2-CG2 4.43Å; V670-V699 HydrophobicContact CG1-CG2 4.42Å; C671-V699 PolarHBondContact O-N 3.36Å; I672-V699 CarbonylContact C-O 3.27Å; I672-V699 VanDerWaalsContact CA-O 3.31Å; I672-V699 WeakPolarHBondContact CA-O 3.5Å; I672-V699 HydrophobicContact CG1-CB 4.48Å; I673-V699 PolarHBondContact N-O 3.42Å; Q697-V699 HydrophobicContact CG-CG2 4.01Å; V699-I704 HydrophobicContact CG1-CD1 4.16Å; V699-I704 HydrophobicContact CG1-CG1 4.42Å; V699-I704 HydrophobicContact CG1-CG2 3.62Å; V699-I717 HydrophobicContact CG1-CD1 3.95Å; V699-I717 HydrophobicContact CG2-CD1 3.9Å
700	N	93.6	Very high	92.1	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.3	173.2	-166.3	-39.1	0	0	0	109.7	G675 R702 T703	G675-N700 PolarHBondContact O-ND2 2.85Å; N700-R702 PolarHBondContact O-N 2.85Å; N700-R702 VanDerWaalsContact O-N 3.12Å; N700-R702 WeakPolarHBondContact OD1-CB 3.34Å; N700-R702 PolarHBondContact OD1-N 3.4Å; N700-T703 WeakPolarHBondContact O-CB 3.31Å; N700-T703 PolarHBondContact O-N 2.81Å; N700-T703 PolarHBondContact O-OG1 2.86Å
701	V	92.8	Very high	91.9	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-53.5	-34.4	176.8	74.5	0	0	0	0	112.1	A614 Q617 I672 I673 M674 T703 I704 G705	A614-V701 HydrophobicContact CB-CG2 4.24Å; Q617-V701 HydrophobicContact CB-CG2 4.29Å; Q617-V701 HydrophobicContact CG-CG2 4.12Å; I672-V701 HydrophobicContact CG2-CB 4.19Å; I673-V701 PolarHBondContact O-N 3.01Å; M674-V701 HydrophobicContact CE-CG1 3.77Å; M674-V701 HydrophobicContact SD-CB 3.89Å; M674-V701 HydrophobicContact SD-CG1 3.63Å; M674-V701 HydrophobicContact SD-CG2 4.09Å; V701-T703 PolarHBondContact O-N 3.36Å; V701-I704 WeakPolarHBondContact O-CG1 3.43Å; V701-I704 PolarHBondContact O-N 2.84Å; V701-G705 PolarHBondContact O-N 3.12Å
702	R	89.6	Confident	91.7	Very high	120 Å²	120	50.6 Å²	50.6	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-26.4	179.7	-65.8	-176	-179.3	-177.2	5.2	112.5	A127 N700	A127-R702 PolarHBondContact O-NH1 2.77Å; N700-R702 PolarHBondContact O-N 2.85Å; N700-R702 VanDerWaalsContact O-N 3.12Å; N700-R702 WeakPolarHBondContact OD1-CB 3.34Å; N700-R702 PolarHBondContact OD1-N 3.4Å
703	T	87.1	Confident	91.7	Very high	57 Å²	57	50 Å²	50	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-80.7	-30.8	-178.5	-46.4	0	0	0	0	111.7	N700 V701 V713	N700-T703 WeakPolarHBondContact O-CB 3.31Å; N700-T703 PolarHBondContact O-N 2.81Å; N700-T703 PolarHBondContact O-OG1 2.86Å; V701-T703 PolarHBondContact O-N 3.36Å; T703-V713 HydrophobicContact CG2-CB 4.47Å; T703-V713 HydrophobicContact CG2-CG1 3.66Å; T703-V713 HydrophobicContact CG2-CG2 3.92Å
704	I	91.4	Very high	91.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-99	-19.9	-178.5	58.2	172.9	0	0	0	113.2	Q617 L621 I672 V699 V701 Q706 L710 V713	Q617-I704 HydrophobicContact CB-CD1 3.88Å; Q617-I704 HydrophobicContact CB-CG1 4.16Å; L621-I704 HydrophobicContact CB-CD1 4.36Å; L621-I704 HydrophobicContact CD1-CG2 4.08Å; L621-I704 HydrophobicContact CD2-CD1 4.16Å; L621-I704 HydrophobicContact CD2-CG2 4.41Å; I672-I704 HydrophobicContact CD1-CD1 4.06Å; I672-I704 HydrophobicContact CG1-CD1 4.43Å; I672-I704 HydrophobicContact CG2-CD1 4.44Å; V699-I704 HydrophobicContact CG1-CD1 4.16Å; V699-I704 HydrophobicContact CG1-CG1 4.42Å; V699-I704 HydrophobicContact CG1-CG2 3.62Å; V701-I704 WeakPolarHBondContact O-CG1 3.43Å; V701-I704 PolarHBondContact O-N 2.84Å; I704-Q706 PolarHBondContact O-N 3.46Å; I704-L710 HydrophobicContact CB-CD1 3.9Å; I704-L710 HydrophobicContact CG2-CD1 4.07Å; I704-V713 HydrophobicContact CG2-CG1 4.1Å
705	G	86.7	Confident	91.6	Very high	39 Å²	39	47.9 Å²	47.9	40%	0.402	25%	0.251	S	S	.	.	S	Bend	trans	-72.6	6.8	178.7	0	0	0	0	0	115.7	V701	V701-G705 PolarHBondContact O-N 3.12Å
706	Q	86.6	Confident	91.5	Very high	68 Å²	68	52.9 Å²	52.9	32%	0.318	27%	0.271	S	S	.	.			trans	-108.7	103.2	174.1	-68.7	-178.9	18.4	0	0	109.7	I704 T708 R709 L710	I704-Q706 PolarHBondContact O-N 3.46Å; Q706-T708 VanDerWaalsContact C-N 3.27Å; Q706-T708 PolarHBondContact O-N 2.81Å; Q706-T708 VanDerWaalsContact O-N 3.16Å; Q706-R709 HydrophobicContact CB-CB 4.34Å; Q706-R709 PolarHBondContact O-N 2.82Å; Q706-R709 VanDerWaalsContact OE1-CD 3.28Å; Q706-L710 PolarHBondContact O-N 3.12Å
707	P	83.8	Confident	91.4	Very high	101 Å²	101	53.4 Å²	53.4	66%	0.656	27%	0.274	S	S	*	.	H	α-helix	trans	-55.7	-38.8	-173.6	-29	35.4	0	0	0	113.8	R709 L710	P707-R709 PolarHBondContact O-N 3.19Å; P707-L710 PolarHBondContact O-N 2.99Å
708	T	86.9	Confident	91.3	Very high	132 Å²	132	52.9 Å²	52.9	81%	0.81	27%	0.272	S	S	*	.	H	α-helix	trans	-64.7	-24.1	179.9	56.6	0	0	0	0	113.8	Q706	Q706-T708 VanDerWaalsContact C-N 3.27Å; Q706-T708 PolarHBondContact O-N 2.81Å; Q706-T708 VanDerWaalsContact O-N 3.16Å
709	R	88.3	Confident	91.2	Very high	145 Å²	145	52.2 Å²	52.2	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-104.3	-18.9	-178.4	-63.1	-171	-177.9	172.2	-2	113.2	Q706 P707 R711 S712 V713	Q706-R709 HydrophobicContact CB-CB 4.34Å; Q706-R709 PolarHBondContact O-N 2.82Å; Q706-R709 VanDerWaalsContact OE1-CD 3.28Å; P707-R709 PolarHBondContact O-N 3.19Å; R709-R711 VanDerWaalsContact C-N 3.32Å; R709-R711 PolarHBondContact O-N 3.13Å; R709-S712 PolarHBondContact O-N 3.03Å; R709-S712 PolarHBondContact O-OG 3.12Å; R709-V713 HydrophobicContact CB-CG2 4.46Å; R709-V713 WeakPolarHBondContact O-CG2 3.42Å; R709-V713 PolarHBondContact O-N 2.92Å; R709-V713 VanDerWaalsContact O-N 3.09Å
710	L	92.4	Very high	91.2	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-49.2	-49	-173	178.4	60.8	0	0	0	112.6	E620 L621 M624 I704 Q706 P707 S712 V713 A714	E620-L710 HydrophobicContact CB-CD2 3.91Å; L621-L710 HydrophobicContact CD1-CD1 4.33Å; M624-L710 HydrophobicContact CB-CD2 4.37Å; M624-L710 HydrophobicContact CB-CG 4.34Å; M624-L710 HydrophobicContact CE-CD2 4.25Å; M624-L710 HydrophobicContact CG-CG 4.24Å; I704-L710 HydrophobicContact CB-CD1 3.9Å; I704-L710 HydrophobicContact CG2-CD1 4.07Å; Q706-L710 PolarHBondContact O-N 3.12Å; P707-L710 PolarHBondContact O-N 2.99Å; L710-S712 PolarHBondContact O-N 2.96Å; L710-V713 PolarHBondContact O-N 3.1Å; L710-V713 VanDerWaalsContact O-N 3.17Å; L710-A714 VanDerWaalsContact O-CB 3.27Å; L710-A714 WeakPolarHBondContact O-CB 3.45Å; L710-A714 PolarHBondContact O-N 3.03Å
711	R	91.4	Very high	91.3	Very high	150 Å²	150	52.4 Å²	52.4	57%	0.566	27%	0.267	S	S	*	.	H	α-helix	trans	-55.8	-47.6	179.4	-173.2	-179.1	-179.7	96.5	-0.1	112.6	M624 I628 R709 V713 Q715	M624-R711 HydrophobicContact SD-CB 3.95Å; M624-R711 HydrophobicContact SD-CG 3.99Å; I628-R711 HydrophobicContact CD1-CG 4.1Å; I628-R711 WeakPolarHBondContact CD1-O 3.39Å; R709-R711 VanDerWaalsContact C-N 3.32Å; R709-R711 PolarHBondContact O-N 3.13Å; R711-V713 VanDerWaalsContact C-N 3.32Å; R711-V713 PolarHBondContact O-N 3.04Å; R711-Q715 WeakPolarHBondContact O-CB 3.13Å; R711-Q715 PolarHBondContact O-N 2.7Å
712	S	90.1	Very high	91.5	Very high	55 Å²	55	51.6 Å²	51.6	39%	0.385	26%	0.262	S	S	.	.	H	α-helix	trans	-70	-29.1	-178.8	71.8	0	0	0	0	113.3	R709 L710 K716	R709-S712 PolarHBondContact O-N 3.03Å; R709-S712 PolarHBondContact O-OG 3.12Å; L710-S712 PolarHBondContact O-N 2.96Å; S712-K716 WeakPolarHBondContact O-CG 3.12Å
713	V	92.8	Very high	91.8	Very high	24 Å²	24	46 Å²	46	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-76.1	-50.7	176.5	170.3	0	0	0	0	109.9	T703 I704 R709 L710 R711 Q715 K716 I717	T703-V713 HydrophobicContact CG2-CB 4.47Å; T703-V713 HydrophobicContact CG2-CG1 3.66Å; T703-V713 HydrophobicContact CG2-CG2 3.92Å; I704-V713 HydrophobicContact CG2-CG1 4.1Å; R709-V713 HydrophobicContact CB-CG2 4.46Å; R709-V713 WeakPolarHBondContact O-CG2 3.42Å; R709-V713 PolarHBondContact O-N 2.92Å; R709-V713 VanDerWaalsContact O-N 3.09Å; L710-V713 PolarHBondContact O-N 3.1Å; L710-V713 VanDerWaalsContact O-N 3.17Å; R711-V713 VanDerWaalsContact C-N 3.32Å; R711-V713 PolarHBondContact O-N 3.04Å; V713-Q715 VanDerWaalsContact C-N 3.27Å; V713-Q715 PolarHBondContact O-N 2.96Å; V713-K716 PolarHBondContact O-N 2.9Å; V713-K716 VanDerWaalsContact O-N 3.08Å; V713-I717 HydrophobicContact CG1-CD1 3.73Å; V713-I717 HydrophobicContact CG1-CG1 4.39Å; V713-I717 WeakPolarHBondContact O-CG1 3.46Å; V713-I717 PolarHBondContact O-N 3.1Å
714	A	94.3	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-41.4	177.7	0	0	0	0	0	111.3	L621 M624 L625 I628 L710 K716 I717 L718	L621-A714 HydrophobicContact CD1-CB 4.06Å; M624-A714 HydrophobicContact CB-CB 4.11Å; M624-A714 HydrophobicContact CG-CB 3.61Å; L625-A714 HydrophobicContact CD2-CB 4.08Å; L625-A714 WeakPolarHBondContact CD2-O 3.48Å; L625-A714 HydrophobicContact CG-CB 4.5Å; I628-A714 HydrophobicContact CD1-CB 3.94Å; L710-A714 VanDerWaalsContact O-CB 3.27Å; L710-A714 WeakPolarHBondContact O-CB 3.45Å; L710-A714 PolarHBondContact O-N 3.03Å; A714-K716 PolarHBondContact O-N 3.1Å; A714-I717 PolarHBondContact O-N 3.07Å; A714-L718 WeakPolarHBondContact O-CB 3.49Å; A714-L718 PolarHBondContact O-N 3.35Å
715	Q	91.6	Very high	92.5	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-55.4	-51.6	173.1	-176.7	-163.8	-15.4	0	0	111.9	V589 T593 I628 R711 V713 I717 L718 L719	V589-Q715 PolarHBondContact O-NE2 2.97Å; T593-Q715 HydrophobicContact CG2-CG 3.91Å; I628-Q715 HydrophobicContact CD1-CB 4.3Å; I628-Q715 HydrophobicContact CG2-CB 4.39Å; I628-Q715 HydrophobicContact CG2-CG 4.37Å; R711-Q715 WeakPolarHBondContact O-CB 3.13Å; R711-Q715 PolarHBondContact O-N 2.7Å; V713-Q715 VanDerWaalsContact C-N 3.27Å; V713-Q715 PolarHBondContact O-N 2.96Å; Q715-I717 VanDerWaalsContact C-N 3.31Å; Q715-I717 PolarHBondContact O-N 3.41Å; Q715-L718 PolarHBondContact O-N 3.48Å; Q715-L719 HydrophobicContact CG-CD1 4.3Å; Q715-L719 VanDerWaalsContact O-CG 3.3Å; Q715-L719 WeakPolarHBondContact O-CG 3.47Å; Q715-L719 PolarHBondContact O-N 3.3Å
716	K	93.3	Very high	92.8	Very high	118 Å²	118	43.4 Å²	43.4	51%	0.513	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-39.4	-179.8	-69.8	173.3	-177.3	175.8	0	111.9	S712 V713 A714 L718 Q720	S712-K716 WeakPolarHBondContact O-CG 3.12Å; V713-K716 PolarHBondContact O-N 2.9Å; V713-K716 VanDerWaalsContact O-N 3.08Å; A714-K716 PolarHBondContact O-N 3.1Å; K716-L718 VanDerWaalsContact C-N 3.34Å; K716-Q720 WeakPolarHBondContact O-CB 3.41Å; K716-Q720 PolarHBondContact O-N 3.04Å
717	I	95.7	Very high	93.3	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.067	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.7	-70.7	170.1	0	0	0	109.8	L621 L625 Q697 V699 V713 A714 Q715 Q720 I721	L621-I717 HydrophobicContact CD1-CD1 4.26Å; L625-I717 HydrophobicContact CD2-CG2 4.25Å; Q697-I717 HydrophobicContact CG-CG2 4.07Å; V699-I717 HydrophobicContact CG1-CD1 3.95Å; V699-I717 HydrophobicContact CG2-CD1 3.9Å; V713-I717 HydrophobicContact CG1-CD1 3.73Å; V713-I717 HydrophobicContact CG1-CG1 4.39Å; V713-I717 WeakPolarHBondContact O-CG1 3.46Å; V713-I717 PolarHBondContact O-N 3.1Å; A714-I717 PolarHBondContact O-N 3.07Å; Q715-I717 VanDerWaalsContact C-N 3.31Å; Q715-I717 PolarHBondContact O-N 3.41Å; I717-Q720 WeakPolarHBondContact O-CB 3.02Å; I717-Q720 PolarHBondContact O-N 2.97Å; I717-I721 HydrophobicContact CG2-CD1 3.7Å; I717-I721 HydrophobicContact CG2-CG1 4.24Å; I717-I721 VanDerWaalsContact O-CG1 3.27Å; I717-I721 WeakPolarHBondContact O-CG1 3.32Å; I717-I721 PolarHBondContact O-N 2.84Å
718	L	95.1	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-44	-178.2	-176	55.6	0	0	0	112.9	L625 I628 A629 I632 M634 M636 A714 Q715 K716 Q720 I721 N722	L625-L718 HydrophobicContact CD2-CB 3.81Å; I628-L718 HydrophobicContact CB-CD2 4.08Å; I628-L718 HydrophobicContact CG2-CD2 4Å; A629-L718 HydrophobicContact CB-CD2 4.01Å; I632-L718 HydrophobicContact CD1-CD2 3.78Å; I632-L718 HydrophobicContact CD1-CG 4.22Å; M634-L718 HydrophobicContact CE-CD1 4.26Å; M634-L718 HydrophobicContact SD-CD1 3.55Å; M634-L718 VanDerWaalsContact SD-CD1 3.55Å; M634-L718 HydrophobicContact SD-CG 4.39Å; M636-L718 HydrophobicContact CE-CD1 4.34Å; M636-L718 HydrophobicContact SD-CD1 3.37Å; M636-L718 WeakPolarHBondContact SD-CD1 3.34Å; A714-L718 WeakPolarHBondContact O-CB 3.49Å; A714-L718 PolarHBondContact O-N 3.35Å; Q715-L718 PolarHBondContact O-N 3.48Å; K716-L718 VanDerWaalsContact C-N 3.34Å; L718-Q720 VanDerWaalsContact C-N 3.28Å; L718-Q720 PolarHBondContact O-N 3.48Å; L718-I721 WeakPolarHBondContact O-CB 3.17Å; L718-I721 PolarHBondContact O-N 3.39Å; L718-N722 PolarHBondContact O-N 3.14Å
719	L	94.9	Very high	94.2	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-42.3	174.3	-64	170.2	0	0	0	111.3	V592 I632 Q715 N722 C723 L729	V592-L719 HydrophobicContact CG1-CD1 3.39Å; V592-L719 HydrophobicContact CG1-CD2 3.43Å; V592-L719 VanDerWaalsContact CG1-CD2 3.43Å; V592-L719 HydrophobicContact CG1-CG 4.03Å; I632-L719 HydrophobicContact CD1-CD2 3.88Å; I632-L719 HydrophobicContact CD1-CG 4.45Å; I632-L719 HydrophobicContact CG2-CD2 4.47Å; Q715-L719 HydrophobicContact CG-CD1 4.3Å; Q715-L719 VanDerWaalsContact O-CG 3.3Å; Q715-L719 WeakPolarHBondContact O-CG 3.47Å; Q715-L719 PolarHBondContact O-N 3.3Å; L719-N722 PolarHBondContact O-N 3.21Å; L719-C723 PolarHBondContact O-N 2.85Å; L719-C723 PolarHBondContact O-SG 3.08Å; L719-L729 HydrophobicContact CB-CD1 3.87Å; L719-L729 HydrophobicContact CD2-CD1 4.02Å; L719-L729 HydrophobicContact CD2-CD2 4.01Å; L719-L729 HydrophobicContact CG-CD1 4.39Å
720	Q	96.2	Very high	94.6	Very high	31 Å²	31	23 Å²	23	15%	0.145	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-40.6	176.7	-172.4	-179.3	14.2	0	0	111.7	Q697 K716 I717 L718 C723 K724 L973	Q697-Q720 VanDerWaalsContact OE1-CD 3.22Å; K716-Q720 WeakPolarHBondContact O-CB 3.41Å; K716-Q720 PolarHBondContact O-N 3.04Å; I717-Q720 WeakPolarHBondContact O-CB 3.02Å; I717-Q720 PolarHBondContact O-N 2.97Å; L718-Q720 VanDerWaalsContact C-N 3.28Å; L718-Q720 PolarHBondContact O-N 3.48Å; Q720-C723 PolarHBondContact O-N 3.18Å; Q720-K724 HydrophobicContact CG-CD 4.33Å; Q720-K724 WeakPolarHBondContact O-CB 3.26Å; Q720-K724 VanDerWaalsContact O-CG 3.24Å; Q720-K724 WeakPolarHBondContact O-CG 3.19Å; Q720-K724 PolarHBondContact O-N 3.39Å; Q720-L973 HydrophobicContact CG-CB 4.22Å; Q720-L973 PolarHBondContact NE2-O 3.07Å; Q720-L973 PolarHBondContact NE2-OXT 3.25Å
721	I	96.9	Very high	94.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-49.1	174.3	-71.5	169.9	0	0	0	109.9	M603 M634 M668 Q697 I717 L718 C723 K724 L725	M603-I721 HydrophobicContact CE-CG2 4.11Å; M603-I721 HydrophobicContact SD-CG2 3.5Å; M603-I721 VanDerWaalsContact SD-CG2 3.5Å; M634-I721 HydrophobicContact CE-CG2 4.03Å; M668-I721 HydrophobicContact CE-CB 4.26Å; M668-I721 HydrophobicContact CE-CG1 3.73Å; M668-I721 HydrophobicContact CE-CG2 4.22Å; Q697-I721 HydrophobicContact CB-CG1 4.39Å; Q697-I721 HydrophobicContact CG-CG1 4.4Å; I717-I721 HydrophobicContact CG2-CD1 3.7Å; I717-I721 HydrophobicContact CG2-CG1 4.24Å; I717-I721 VanDerWaalsContact O-CG1 3.27Å; I717-I721 WeakPolarHBondContact O-CG1 3.32Å; I717-I721 PolarHBondContact O-N 2.84Å; L718-I721 WeakPolarHBondContact O-CB 3.17Å; L718-I721 PolarHBondContact O-N 3.39Å; I721-C723 VanDerWaalsContact C-N 3.33Å; I721-C723 PolarHBondContact O-N 3.47Å; I721-K724 WeakPolarHBondContact O-CB 3.42Å; I721-K724 PolarHBondContact O-N 2.98Å; I721-K724 VanDerWaalsContact O-N 3.11Å; I721-L725 HydrophobicContact CG2-CD1 3.89Å; I721-L725 WeakPolarHBondContact O-CG 3.2Å; I721-L725 PolarHBondContact O-N 3.37Å; I721-L725 VanDerWaalsContact O-N 3.11Å
722	N	96	Very high	95	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.6	-44.6	178.7	-169.8	46.2	0	0	0	111.6	L599 T600 I601 M634 L718 L719 K724 L725 G726 G727 L729	L599-N722 PolarHBondContact O-ND2 3.38Å; T600-N722 VanDerWaalsContact CA-OD1 3.31Å; T600-N722 WeakPolarHBondContact CA-OD1 3.46Å; I601-N722 PolarHBondContact N-OD1 3.47Å; M634-N722 HydrophobicContact SD-CB 4.08Å; L718-N722 PolarHBondContact O-N 3.14Å; L719-N722 PolarHBondContact O-N 3.21Å; N722-K724 VanDerWaalsContact C-N 3.32Å; N722-K724 PolarHBondContact O-N 3.05Å; N722-L725 PolarHBondContact O-N 3.44Å; N722-G726 PolarHBondContact O-N 3.38Å; N722-G727 WeakPolarHBondContact O-CA 3.4Å; N722-G727 PolarHBondContact O-N 3.48Å; N722-L729 HydrophobicContact CB-CD2 4.27Å; N722-L729 WeakPolarHBondContact ND2-CD2 3.26Å
723	C	96.1	Very high	95.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-39.5	176.1	-64.2	0	0	0	0	112.9	L719 Q720 I721 L725 G726 W932 L970 L973	L719-C723 PolarHBondContact O-N 2.85Å; L719-C723 PolarHBondContact O-SG 3.08Å; Q720-C723 PolarHBondContact O-N 3.18Å; I721-C723 VanDerWaalsContact C-N 3.33Å; I721-C723 PolarHBondContact O-N 3.47Å; C723-L725 VanDerWaalsContact C-N 3.26Å; C723-L725 PolarHBondContact O-N 2.96Å; C723-G726 PolarHBondContact O-N 2.64Å; C723-W932 HydrophobicContact CB-CE3 4.45Å; C723-L970 HydrophobicContact CB-CB 4.4Å; C723-L970 HydrophobicContact CB-CD1 4.4Å; C723-L973 HydrophobicContact CB-CD1 3.93Å
724	K	97.3	Very high	95.4	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-24.4	-179.9	-76.9	177.5	173.8	174.6	0	113.5	M668 P695 S696 Q720 I721 N722 N969 L973	M668-K724 HydrophobicContact CE-CB 4.38Å; M668-K724 HydrophobicContact CE-CD 3.84Å; P695-K724 HydrophobicContact CB-CB 4.2Å; P695-K724 WeakPolarHBondContact CG-O 3.32Å; S696-K724 PolarHBondContact O-NZ 2.88Å; Q720-K724 HydrophobicContact CG-CD 4.33Å; Q720-K724 WeakPolarHBondContact O-CB 3.26Å; Q720-K724 VanDerWaalsContact O-CG 3.24Å; Q720-K724 WeakPolarHBondContact O-CG 3.19Å; Q720-K724 PolarHBondContact O-N 3.39Å; I721-K724 WeakPolarHBondContact O-CB 3.42Å; I721-K724 PolarHBondContact O-N 2.98Å; I721-K724 VanDerWaalsContact O-N 3.11Å; N722-K724 VanDerWaalsContact C-N 3.32Å; N722-K724 PolarHBondContact O-N 3.05Å; K724-N969 WeakPolarHBondContact O-CB 3.44Å; K724-L973 WeakPolarHBondContact CE-OXT 3.41Å; K724-L973 PolarHBondContact NZ-OXT 3.14Å
725	L	95.8	Very high	95.3	Very high	20 Å²	20	23 Å²	23	11%	0.105	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.5	175.8	-66.6	171.1	0	0	0	112.8	I601 M603 M634 Q667 M668 I721 N722 C723	I601-L725 HydrophobicContact CB-CB 3.84Å; I601-L725 HydrophobicContact CG1-CB 4.09Å; I601-L725 HydrophobicContact CG2-CB 3.98Å; M603-L725 HydrophobicContact SD-CD1 4.16Å; M634-L725 HydrophobicContact CE-CD1 4.18Å; Q667-L725 HydrophobicContact CB-CD2 4.21Å; Q667-L725 WeakPolarHBondContact O-CD2 3.37Å; M668-L725 HydrophobicContact CB-CD2 4.34Å; I721-L725 HydrophobicContact CG2-CD1 3.89Å; I721-L725 WeakPolarHBondContact O-CG 3.2Å; I721-L725 PolarHBondContact O-N 3.37Å; I721-L725 VanDerWaalsContact O-N 3.11Å; N722-L725 PolarHBondContact O-N 3.44Å; C723-L725 VanDerWaalsContact C-N 3.26Å; C723-L725 PolarHBondContact O-N 2.96Å
726	G	94.4	Very high	95.4	Very high	19 Å²	19	24.2 Å²	24.2	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	99	10.9	-179.4	0	0	0	0	0	114.7	N722 C723 N969	N722-G726 PolarHBondContact O-N 3.38Å; C723-G726 PolarHBondContact O-N 2.64Å; G726-N969 WeakPolarHBondContact CA-OD1 3.3Å
727	G	95.3	Very high	95.3	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.021	15%	0.145	C	C	.	.			trans	-71.5	161.1	174.6	0	0	0	0	0	113.2	L599 N722 W932	L599-G727 CarbonylContact O-C 3.52Å; L599-G727 WeakPolarHBondContact O-CA 3.35Å; N722-G727 WeakPolarHBondContact O-CA 3.4Å; N722-G727 PolarHBondContact O-N 3.48Å; G727-W932 VanDerWaalsContact O-CZ3 3.29Å; G727-W932 WeakPolarHBondContact O-CZ3 3.43Å
728	E	95.5	Very high	95.2	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.07	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-121.3	118.7	-177.3	-53.2	174.4	-149.1	0	0	109.7	S597 I598 L599 T769 K770 W932	S597-E728 WeakPolarHBondContact CB-O 3.49Å; I598-E728 HydrophobicContact CB-CB 4.08Å; I598-E728 WeakPolarHBondContact CB-O 3.23Å; I598-E728 HydrophobicContact CG2-CB 4.11Å; I598-E728 PolarHBondContact N-O 2.83Å; I598-E728 VanDerWaalsContact N-O 3.08Å; L599-E728 HydrophobicContact CB-CB 3.82Å; L599-E728 HydrophobicContact CB-CG 3.93Å; L599-E728 HydrophobicContact CD2-CG 4.17Å; L599-E728 PolarHBondContact N-O 2.9Å; L599-E728 PolarHBondContact O-N 2.89Å; L599-E728 VanDerWaalsContact O-O 3.1Å; E728-T769 VanDerWaalsContact CD-OG1 3.29Å; E728-T769 WeakPolarHBondContact OE2-CB 3.43Å; E728-T769 PolarHBondContact OE2-OG1 2.81Å; E728-K770 HydrophobicContact CG-CG 4.35Å; E728-K770 WeakPolarHBondContact OE1-CE 3.23Å; E728-K770 WeakPolarHBondContact OE1-CG 3.5Å; E728-K770 IonicContact OE1-NZ 2.65Å; E728-W932 VanDerWaalsContact CA-CH2 3.44Å; E728-W932 HydrophobicContact CB-CH2 3.77Å; E728-W932 HydrophobicContact CB-CZ2 4.11Å; E728-W932 HydrophobicContact CG-CH2 3.98Å
729	L	95.3	Very high	95.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	-81.4	-65.6	-173.1	-57.1	-172.7	0	0	0	112.3	S597 I598 L719 N722 W932	S597-L729 WeakPolarHBondContact CA-O 3.39Å; I598-L729 PolarHBondContact N-O 3.39Å; L719-L729 HydrophobicContact CB-CD1 3.87Å; L719-L729 HydrophobicContact CD2-CD1 4.02Å; L719-L729 HydrophobicContact CD2-CD2 4.01Å; L719-L729 HydrophobicContact CG-CD1 4.39Å; N722-L729 HydrophobicContact CB-CD2 4.27Å; N722-L729 WeakPolarHBondContact ND2-CD2 3.26Å; L729-W932 HydrophobicContact CB-CD2 4.31Å; L729-W932 HydrophobicContact CB-CG 4.1Å; L729-W932 HydrophobicContact CD1-CB 3.69Å; L729-W932 HydrophobicContact CD1-CG 4.02Å; L729-W932 HydrophobicContact CG-CB 4.22Å; L729-W932 HydrophobicContact CG-CD2 4.25Å; L729-W932 HydrophobicContact CG-CG 4.07Å
730	W	96.4	Very high	95.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.			trans	-144.4	162.8	-179.4	65.7	83.8	0	0	0	110.6	I573 N574 F575 W588 V592 I598 H929 W932 W934 P935	I573-W730 HydrophobicContact CG2-CB 3.82Å; I573-W730 HydrophobicContact CG2-CG 3.91Å; N574-W730 CarbonylContact O-C 3.49Å; N574-W730 VanDerWaalsContact O-CA 3.27Å; N574-W730 WeakPolarHBondContact O-CA 3.46Å; N574-W730 WeakPolarHBondContact O-CB 3.39Å; F575-W730 HydrophobicContact CD1-CB 4.48Å; F575-W730 HydrophobicContact CE1-CB 4.13Å; F575-W730 HydrophobicContact CE2-CB 4.15Å; F575-W730 HydrophobicContact CZ-CB 3.95Å; W588-W730 AromaticContact CE2-CE2 4Å; W588-W730 AromaticContact CZ2-CE2 3.87Å; W588-W730 HydrophobicContact CZ2-CZ2 4Å; W588-W730 AromaticContact CZ2-NE1 3.61Å; W588-W730 AromaticContact NE1-CD2 3.69Å; W588-W730 AromaticContact NE1-CE2 3.48Å; W588-W730 AromaticContact NE1-CZ2 3.72Å; W588-W730 AromaticContact NE1-NE1 3.82Å; V592-W730 HydrophobicContact CG1-CZ3 4.48Å; V592-W730 HydrophobicContact CG2-CE3 3.95Å; V592-W730 HydrophobicContact CG2-CZ3 3.96Å; I598-W730 VanDerWaalsContact CD1-C 3.47Å; W730-H929 PolarHBondContact NE1-O 2.9Å; W730-W932 AromaticContact CD2-CD1 3.75Å; W730-W932 AromaticContact CE2-CD1 3.55Å; W730-W932 VanDerWaalsContact CH2-CA 3.48Å; W730-W932 HydrophobicContact CH2-CB 4.33Å; W730-W932 AromaticContact CH2-CD1 3.96Å; W730-W932 WeakPolarHBondContact CH2-O 3.5Å; W730-W932 AromaticContact CZ2-CD1 3.68Å; W730-W932 PolarHBondContact O-NE1 2.61Å; W730-W934 WeakPolarHBondContact CZ2-O 3.48Å; W730-P935 HydrophobicContact CH2-CB 4.14Å; W730-P935 HydrophobicContact CZ3-CB 4.44Å
731	G	96.1	Very high	95.6	Very high	5 Å²	5	27 Å²	27	5%	0.052	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	173.2	-179.9	0	0	0	0	0	112.9	N574 I598	N574-G731 PolarHBondContact N-O 3.4Å; N574-G731 PolarHBondContact O-N 2.85Å; I598-G731 VanDerWaalsContact CD1-N 3.33Å
732	V	96.3	Very high	95.7	Very high	9 Å²	9	27 Å²	27	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	174.3	176.3	0	0	0	0	108.6	E571 I573 I734 K926 H929 M930	E571-V732 HydrophobicContact CB-CG1 4.11Å; E571-V732 HydrophobicContact CG-CG1 4.49Å; I573-V732 HydrophobicContact CD1-CG2 3.8Å; V732-I734 PolarHBondContact O-N 2.89Å; V732-I734 VanDerWaalsContact O-N 3.17Å; V732-K926 HydrophobicContact CG1-CB 4.05Å; V732-K926 HydrophobicContact CG1-CD 4.38Å; V732-K926 HydrophobicContact CG1-CG 3.86Å; V732-H929 HydrophobicContact CG2-CB 3.83Å; V732-M930 HydrophobicContact CB-SD 4.08Å; V732-M930 HydrophobicContact CG2-SD 3.88Å
733	D	94.9	Very high	95.8	Very high	71 Å²	71	27 Å²	27	38%	0.38	15%	0.146	S	C	.	.			trans	-66.2	112.1	179.5	-63.9	-38.4	0	0	0	111.4	R572 N574 K926	R572-D733 IonicContact NH1-OD2 3.79Å; N574-D733 PolarHBondContact ND2-OD1 3.32Å; D733-K926 WeakPolarHBondContact O-CE 3.43Å; D733-K926 PolarHBondContact O-NZ 2.93Å
734	I	95.8	Very high	95.8	Very high	33 Å²	33	26.9 Å²	26.9	17%	0.169	15%	0.146	C	C	.	.			trans	-118.6	100.9	176.4	-64.2	167.2	0	0	0	108.4	V732 L736 L739 L768 L923 K926 L927	V732-I734 PolarHBondContact O-N 2.89Å; V732-I734 VanDerWaalsContact O-N 3.17Å; I734-L736 HydrophobicContact CG2-CB 4.29Å; I734-L736 PolarHBondContact O-N 2.81Å; I734-L739 HydrophobicContact CG2-CD2 4.05Å; I734-L768 HydrophobicContact CB-CD1 4.29Å; I734-L768 HydrophobicContact CD1-CD1 3.49Å; I734-L768 VanDerWaalsContact CD1-CD1 3.49Å; I734-L768 HydrophobicContact CG1-CD1 4.46Å; I734-L768 HydrophobicContact CG2-CD1 4.04Å; I734-L923 HydrophobicContact CD1-CD1 4.48Å; I734-L923 HydrophobicContact CG2-CD1 3.87Å; I734-K926 HydrophobicContact CD1-CB 4.43Å; I734-K926 HydrophobicContact CG1-CB 4.26Å; I734-K926 HydrophobicContact CG1-CD 3.95Å; I734-L927 HydrophobicContact CD1-CD2 4.23Å
735	P	93.2	Very high	95.6	Very high	119 Å²	119	27.1 Å²	27.1	77%	0.773	15%	0.147	S	C	*	.			trans	-80.6	32.4	-170.9	34.6	-37.8	0	0	0	113.5
736	L	92.8	Very high	95.3	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.215	15%	0.146	C	C	.	.			trans	-103.4	114.1	176.3	-69.6	174.8	0	0	0	109.3	I734 L739 L915 L923	I734-L736 HydrophobicContact CG2-CB 4.29Å; I734-L736 PolarHBondContact O-N 2.81Å; L736-L739 HydrophobicContact CB-CB 4.19Å; L736-L739 HydrophobicContact CB-CD2 3.84Å; L736-L739 HydrophobicContact CD1-CD2 3.8Å; L736-L739 HydrophobicContact CG-CD2 4.46Å; L736-L915 HydrophobicContact CD2-CD2 4.33Å; L736-L923 HydrophobicContact CD1-CD1 4.38Å; L736-L923 HydrophobicContact CD1-CD2 4.05Å
737	K	91.4	Very high	94.9	Very high	168 Å²	168	27.5 Å²	27.5	73%	0.73	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	141.6	178.7	-61.9	-174	179.6	-176.4	0	111.5	L739 K809	K737-L739 VanDerWaalsContact C-N 3.31Å; K737-L739 PolarHBondContact O-N 3.39Å; K737-K809 PolarHBondContact O-NZ 3.25Å
738	Q	94.3	Very high	94	Very high	57 Å²	57	30.1 Å²	30.1	27%	0.266	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	49.8	173.8	-59.4	-172.6	65.5	0	0	112.6	C805 L806 P807 E808 K809	Q738-C805 PolarHBondContact OE1-SG 2.97Å; Q738-L806 PolarHBondContact OE1-O 2.97Å; Q738-P807 CarbonylContact O-C 3.52Å; Q738-P807 WeakPolarHBondContact O-CA 3.31Å; Q738-E808 HydrophobicContact CB-CB 4.06Å; Q738-E808 HydrophobicContact CB-CG 3.92Å; Q738-E808 HydrophobicContact CG-CG 4.46Å; Q738-E808 PolarHBondContact NE2-OE1 3.44Å; Q738-E808 PolarHBondContact O-N 3.18Å; Q738-K809 PolarHBondContact O-N 2.97Å; Q738-K809 VanDerWaalsContact O-N 3.14Å
739	L	97.5	Very high	92.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.1	-178.8	174	62	0	0	0	110.5	I734 L736 K737 V741 L768 K809 V811 L923	I734-L739 HydrophobicContact CG2-CD2 4.05Å; L736-L739 HydrophobicContact CB-CB 4.19Å; L736-L739 HydrophobicContact CB-CD2 3.84Å; L736-L739 HydrophobicContact CD1-CD2 3.8Å; L736-L739 HydrophobicContact CG-CD2 4.46Å; K737-L739 VanDerWaalsContact C-N 3.31Å; K737-L739 PolarHBondContact O-N 3.39Å; L739-V741 HydrophobicContact CD1-CG2 4.21Å; L739-V741 HydrophobicContact CD2-CG2 3.89Å; L739-V741 HydrophobicContact CG-CG2 3.87Å; L739-L768 HydrophobicContact CD2-CD1 3.87Å; L739-L768 HydrophobicContact CG-CD1 4.37Å; L739-L768 HydrophobicContact CG-CD2 4.49Å; L739-L768 WeakPolarHBondContact O-CD2 3.37Å; L739-K809 WeakPolarHBondContact CA-O 3.28Å; L739-K809 HydrophobicContact CD1-CB 4.06Å; L739-V811 HydrophobicContact CD1-CB 4.26Å; L739-V811 HydrophobicContact CD1-CG2 3.65Å; L739-L923 HydrophobicContact CD2-CD1 4.17Å; L739-L923 HydrophobicContact CD2-CD2 4.47Å
740	M	98.5	Very high	90.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.1	161.5	173.9	-178.5	-74.8	0	0	109.2	I742 A762 L796 F799 P807 K809 I810 V811	M740-I742 HydrophobicContact CG-CD1 4.38Å; M740-I742 HydrophobicContact CG-CG1 4.01Å; M740-I742 HydrophobicContact SD-CD1 3.99Å; M740-I742 HydrophobicContact SD-CG1 4.17Å; M740-A762 HydrophobicContact CG-CB 4.47Å; M740-A762 HydrophobicContact SD-CB 4.28Å; M740-L796 HydrophobicContact CE-CD2 4.16Å; M740-L796 HydrophobicContact SD-CD2 4.26Å; M740-F799 HydrophobicContact CB-CD2 4.31Å; M740-F799 HydrophobicContact CB-CE2 4.25Å; M740-F799 HydrophobicContact CE-CB 3.39Å; M740-F799 HydrophobicContact CE-CD2 3.49Å; M740-F799 VanDerWaalsContact CE-CD2 3.49Å; M740-F799 HydrophobicContact CE-CE2 4.49Å; M740-F799 HydrophobicContact CE-CG 3.66Å; M740-P807 HydrophobicContact CB-CB 3.77Å; M740-P807 HydrophobicContact CB-CG 3.89Å; M740-P807 HydrophobicContact CE-CG 4.06Å; M740-P807 HydrophobicContact SD-CG 4.36Å; M740-K809 PolarHBondContact N-O 3.33Å; M740-I810 HydrophobicContact CB-CG1 4.43Å; M740-I810 CarbonylContact O-C 3.5Å; M740-I810 WeakPolarHBondContact O-CA 3.38Å; M740-V811 PolarHBondContact O-N 3.02Å
741	V	98.6	Very high	88.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133	174	-173.3	0	0	0	0	109.8	L739 A762 S763 L768 V811 Y813 L927 P943	L739-V741 HydrophobicContact CD1-CG2 4.21Å; L739-V741 HydrophobicContact CD2-CG2 3.89Å; L739-V741 HydrophobicContact CG-CG2 3.87Å; V741-A762 CarbonylContact O-C 3.45Å; V741-A762 WeakPolarHBondContact O-CA 3.27Å; V741-S763 PolarHBondContact N-OG 3.01Å; V741-S763 PolarHBondContact O-N 3.32Å; V741-S763 PolarHBondContact O-OG 3.31Å; V741-L768 HydrophobicContact CG2-CD1 3.86Å; V741-L768 HydrophobicContact CG2-CD2 4.06Å; V741-V811 CarbonylContact C-O 3.25Å; V741-V811 VanDerWaalsContact CA-O 3.32Å; V741-V811 WeakPolarHBondContact CA-O 3.28Å; V741-Y813 HydrophobicContact CG1-CD2 3.95Å; V741-Y813 HydrophobicContact CG1-CE2 3.93Å; V741-L927 HydrophobicContact CG1-CD1 3.74Å; V741-L927 HydrophobicContact CG1-CD2 4.32Å; V741-L927 HydrophobicContact CG2-CD1 4.36Å; V741-L927 HydrophobicContact CG2-CD2 4.35Å; V741-P943 HydrophobicContact CG1-CB 4.44Å; V741-P943 HydrophobicContact CG1-CG 3.74Å
742	I	98.7	Very high	86.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.2	-175	-56.7	175.4	0	0	0	109.4	M740 M744 F760 V761 A762 L792 I810 V811 V812 Y813	M740-I742 HydrophobicContact CG-CD1 4.38Å; M740-I742 HydrophobicContact CG-CG1 4.01Å; M740-I742 HydrophobicContact SD-CD1 3.99Å; M740-I742 HydrophobicContact SD-CG1 4.17Å; I742-M744 HydrophobicContact CG2-CG 4.08Å; I742-M744 HydrophobicContact CG2-SD 4.43Å; I742-F760 HydrophobicContact CD1-CZ 3.95Å; I742-F760 HydrophobicContact CG1-CZ 4.46Å; I742-F760 HydrophobicContact CG2-CD1 4.33Å; I742-F760 HydrophobicContact CG2-CD2 4.19Å; I742-F760 HydrophobicContact CG2-CE1 3.8Å; I742-F760 HydrophobicContact CG2-CE2 3.64Å; I742-F760 HydrophobicContact CG2-CZ 3.43Å; I742-F760 VanDerWaalsContact CG2-CZ 3.43Å; I742-V761 CarbonylContact C-O 3.54Å; I742-V761 WeakPolarHBondContact CA-O 3.42Å; I742-A762 HydrophobicContact CG1-CB 3.91Å; I742-L792 HydrophobicContact CD1-CD1 3.69Å; I742-I810 HydrophobicContact CD1-CG2 3.56Å; I742-I810 HydrophobicContact CG1-CG2 4.27Å; I742-V811 PolarHBondContact N-O 3.39Å; I742-V812 HydrophobicContact CB-CG1 4.41Å; I742-V812 HydrophobicContact CB-CG2 4.24Å; I742-V812 HydrophobicContact CD1-CG2 4.25Å; I742-V812 HydrophobicContact CG2-CG1 4.37Å; I742-V812 CarbonylContact O-C 3.33Å; I742-V812 WeakPolarHBondContact O-CA 3.35Å; I742-Y813 PolarHBondContact O-N 2.92Å
743	G	98.2	Very high	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.4	170.5	0	0	0	0	0	110.7	V761 Y813 A947	G743-V761 PolarHBondContact N-O 3.26Å; G743-V761 PolarHBondContact O-N 3.22Å; G743-Y813 WeakPolarHBondContact CA-O 3.44Å; G743-A947 WeakPolarHBondContact O-CB 3.41Å
744	M	95.8	Very high	82.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.5	-180	-66.8	170.7	52.7	0	0	110.4	I742 G759 F760 V785 L788 V812 Y813 D815	I742-M744 HydrophobicContact CG2-CG 4.08Å; I742-M744 HydrophobicContact CG2-SD 4.43Å; M744-G759 WeakPolarHBondContact CA-O 2.95Å; M744-F760 HydrophobicContact CG-CD2 3.65Å; M744-F760 HydrophobicContact CG-CE2 4.05Å; M744-F760 HydrophobicContact CG-CG 4.47Å; M744-F760 HydrophobicContact SD-CD2 3.97Å; M744-F760 HydrophobicContact SD-CE2 3.88Å; M744-V785 HydrophobicContact CE-CG2 4.23Å; M744-L788 HydrophobicContact CE-CD1 4.11Å; M744-L788 HydrophobicContact CE-CD2 3.24Å; M744-L788 HydrophobicContact CE-CG 4.32Å; M744-L788 HydrophobicContact SD-CD2 4.1Å; M744-V812 HydrophobicContact CG-CG1 4.44Å; M744-V812 HydrophobicContact SD-CG1 3.65Å; M744-Y813 PolarHBondContact N-O 2.97Å; M744-D815 PolarHBondContact O-N 2.93Å
745	D	93.9	Very high	81.4	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	152	173.7	-166.2	20.8	0	0	0	109.9	V758 G759 D815 A947 H948	D745-V758 WeakPolarHBondContact O-CA 3.32Å; D745-G759 PolarHBondContact N-O 2.83Å; D745-G759 PolarHBondContact O-N 3.36Å; D745-D815 HydrophobicContact CB-CB 4.37Å; D745-A947 HydrophobicContact CB-CB 4.16Å; D745-H948 HydrophobicContact CB-CB 4.19Å; D745-H948 VanDerWaalsContact OD2-CA 3.26Å; D745-H948 WeakPolarHBondContact OD2-CA 3.36Å; D745-H948 WeakPolarHBondContact OD2-CB 3.4Å; D745-H948 IonicContact OD2-CD2 3.81Å; D745-H948 PolarHBondContact OD2-CD2 2.85Å; D745-H948 IonicContact OD2-CG 3.51Å
746	V	89.4	Confident	81	Confident	15 Å²	15	46.7 Å²	46.7	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.5	178.6	-172.1	0	0	0	0	109.3	H748 V757 V758 V785 R814	V746-H748 WeakPolarHBondContact CG1-CE1 3.43Å; V746-H748 WeakPolarHBondContact CG1-NE2 3.48Å; V746-V757 CarbonylContact C-O 3.57Å; V746-V757 WeakPolarHBondContact CA-O 3.43Å; V746-V758 HydrophobicContact CG1-CG2 4.36Å; V746-V758 HydrophobicContact CG2-CG1 4.37Å; V746-V758 HydrophobicContact CG2-CG2 3.95Å; V746-V785 HydrophobicContact CG2-CG2 4.3Å; V746-R814 VanDerWaalsContact CG2-NH2 3.26Å
747	Y	84.4	Confident	80.8	Confident	32 Å²	32	44.8 Å²	44.8	13%	0.125	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.2	173.7	178	-96.4	0	0	0	110.3	D749 S756 V757 F952 H956	Y747-D749 HydrophobicContact CE1-CB 3.97Å; Y747-S756 WeakPolarHBondContact O-CA 3.32Å; Y747-V757 PolarHBondContact N-O 3.4Å; Y747-V757 PolarHBondContact O-N 3Å; Y747-F952 HydrophobicContact CD2-CD2 4.02Å; Y747-F952 AromaticContact CE2-CD2 3.63Å; Y747-F952 HydrophobicContact CE2-CD2 3.63Å; Y747-F952 HydrophobicContact CE2-CE2 4.1Å; Y747-H956 HydrophobicContact CE1-CB 4.22Å; Y747-H956 PolarHBondContact OH-ND1 2.99Å
748	H	77.7	Confident	80.8	Confident	56 Å²	56	36.9 Å²	36.9	26%	0.259	19%	0.19	S	C	.	.			trans	-124.7	138.3	174.3	-54.7	-75.6	0	0	0	109.8	V746 S756 Q782	V746-H748 WeakPolarHBondContact CG1-CE1 3.43Å; V746-H748 WeakPolarHBondContact CG1-NE2 3.48Å; H748-S756 PolarHBondContact CE1-OG 3.3Å; H748-S756 WeakPolarHBondContact ND1-CB 3.48Å; H748-S756 PolarHBondContact ND1-OG 3.12Å; H748-Q782 PolarHBondContact CE1-O 2.79Å
749	D	65.5	Low	80.9	Confident	13 Å²	13	34.2 Å²	34.2	7%	0.07	18%	0.177	C	C	.	.			trans	-122.5	92.3	168.7	-175	-8.1	0	0	0	109.4	Y747 S751 R752	Y747-D749 HydrophobicContact CE1-CB 3.97Å; D749-S751 PolarHBondContact O-N 3.22Å; D749-S751 WeakPolarHBondContact OD1-CB 3.47Å; D749-S751 PolarHBondContact OD1-N 3.09Å; D749-S751 VanDerWaalsContact OD1-N 3.11Å; D749-S751 PolarHBondContact OD1-OG 3.48Å; D749-R752 VanDerWaalsContact OD2-CD 3.27Å; D749-R752 WeakPolarHBondContact OD2-CD 3.14Å
750	P	49.5	Very low	80.9	Confident	54 Å²	54	34 Å²	34	35%	0.351	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.7	-177.2	28.2	-31.3	0	0	0	112.9	E135 R752	E135-P750 WeakPolarHBondContact OE1-CG 3.44Å; E135-P750 WeakPolarHBondContact OE2-CG 3.44Å; P750-R752 VanDerWaalsContact C-N 3.34Å
751	S	49.4	Very low	80.9	Confident	79 Å²	79	34 Å²	34	55%	0.552	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.1	-177.9	73.4	0	0	0	0	113.6	D749	D749-S751 PolarHBondContact O-N 3.22Å; D749-S751 WeakPolarHBondContact OD1-CB 3.47Å; D749-S751 PolarHBondContact OD1-N 3.09Å; D749-S751 VanDerWaalsContact OD1-N 3.11Å; D749-S751 PolarHBondContact OD1-OG 3.48Å
752	R	53.9	Low	80.9	Confident	150 Å²	150	34 Å²	34	57%	0.566	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.4	6.1	-172.5	-60.4	-175.1	112.7	-164.7	3.3	114.7	D749 P750 M754	D749-R752 VanDerWaalsContact OD2-CD 3.27Å; D749-R752 WeakPolarHBondContact OD2-CD 3.14Å; P750-R752 VanDerWaalsContact C-N 3.34Å; R752-M754 HydrophobicContact CB-CB 4.34Å; R752-M754 HydrophobicContact CB-CG 3.57Å; R752-M754 PolarHBondContact O-N 2.92Å; R752-M754 VanDerWaalsContact O-N 3.1Å
753	G	54.2	Low	80.8	Confident	58 Å²	58	34 Å²	34	60%	0.598	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	21.2	-174.7	0	0	0	0	0	113.5
754	M	61.8	Low	80.8	Confident	82 Å²	82	34.2 Å²	34.2	40%	0.404	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-80.7	155	-170.8	-76.8	-104.2	142.6	0	0	111.9	R752	R752-M754 HydrophobicContact CB-CB 4.34Å; R752-M754 HydrophobicContact CB-CG 3.57Å; R752-M754 PolarHBondContact O-N 2.92Å; R752-M754 VanDerWaalsContact O-N 3.1Å
755	R	71.7	Confident	80.8	Confident	164 Å²	164	34.8 Å²	34.8	62%	0.619	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-58.7	143.1	176	-72.4	-175.2	-162.9	179.5	4.6	111.1	F777 Q778	R755-F777 HydrophobicContact CB-CD1 4.2Å; R755-Q778 WeakPolarHBondContact CA-O 3.4Å; R755-Q778 WeakPolarHBondContact CB-O 3.5Å; R755-Q778 WeakPolarHBondContact CG-O 3.25Å
756	S	83.4	Confident	80.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144	171.4	-46.9	0	0	0	0	109.2	Y747 H748 Q778 M779 H781 Q782	Y747-S756 WeakPolarHBondContact O-CA 3.32Å; H748-S756 PolarHBondContact CE1-OG 3.3Å; H748-S756 WeakPolarHBondContact ND1-CB 3.48Å; H748-S756 PolarHBondContact ND1-OG 3.12Å; S756-Q778 PolarHBondContact N-O 3.17Å; S756-Q778 PolarHBondContact O-N 2.53Å; S756-M779 PolarHBondContact OG-O 3.45Å; S756-H781 PolarHBondContact OG-N 3.03Å; S756-H781 VanDerWaalsContact OG-N 3.08Å; S756-Q782 PolarHBondContact OG-N 2.99Å
757	V	89.4	Confident	80.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.9	-175.8	-176.6	0	0	0	0	110.5	V746 Y747 V775 F777	V746-V757 CarbonylContact C-O 3.57Å; V746-V757 WeakPolarHBondContact CA-O 3.43Å; Y747-V757 PolarHBondContact N-O 3.4Å; Y747-V757 PolarHBondContact O-N 3Å; V757-V775 HydrophobicContact CG1-CG1 3.45Å; V757-V775 VanDerWaalsContact CG1-CG1 3.45Å; V757-F777 HydrophobicContact CG1-CZ 4.42Å; V757-F777 HydrophobicContact CG2-CD1 3.63Å; V757-F777 HydrophobicContact CG2-CE1 3.47Å; V757-F777 VanDerWaalsContact CG2-CE1 3.47Å; V757-F777 HydrophobicContact CG2-CG 4.37Å; V757-F777 HydrophobicContact CG2-CZ 4.09Å
758	V	91.9	Very high	81.5	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.7	178.5	-172.2	0	0	0	0	109.5	D745 V746 V775 V776 Q778 V785	D745-V758 WeakPolarHBondContact O-CA 3.32Å; V746-V758 HydrophobicContact CG1-CG2 4.36Å; V746-V758 HydrophobicContact CG2-CG1 4.37Å; V746-V758 HydrophobicContact CG2-CG2 3.95Å; V758-V775 WeakPolarHBondContact O-CA 3.47Å; V758-V776 HydrophobicContact CB-CB 4.4Å; V758-V776 PolarHBondContact N-O 2.83Å; V758-V776 PolarHBondContact O-N 2.92Å; V758-V776 VanDerWaalsContact O-N 3.09Å; V758-Q778 HydrophobicContact CG2-CG 4.15Å; V758-V785 HydrophobicContact CG1-CG1 4.16Å; V758-V785 HydrophobicContact CG1-CG2 3.86Å; V758-V785 HydrophobicContact CG2-CG1 4.08Å; V758-V785 HydrophobicContact CG2-CG2 3.87Å
759	G	95.5	Very high	82.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.7	166.4	0	0	0	0	0	109.7	M744 D745 A947	M744-G759 WeakPolarHBondContact CA-O 2.95Å; D745-G759 PolarHBondContact N-O 2.83Å; D745-G759 PolarHBondContact O-N 3.36Å; G759-A947 WeakPolarHBondContact O-CB 3.45Å
760	F	97.3	Very high	83.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.7	177.6	-172.2	-78.7	0	0	0	109.1	I742 M744 A762 S773 R774 L788 C791 L792 S795	I742-F760 HydrophobicContact CD1-CZ 3.95Å; I742-F760 HydrophobicContact CG1-CZ 4.46Å; I742-F760 HydrophobicContact CG2-CD1 4.33Å; I742-F760 HydrophobicContact CG2-CD2 4.19Å; I742-F760 HydrophobicContact CG2-CE1 3.8Å; I742-F760 HydrophobicContact CG2-CE2 3.64Å; I742-F760 HydrophobicContact CG2-CZ 3.43Å; I742-F760 VanDerWaalsContact CG2-CZ 3.43Å; M744-F760 HydrophobicContact CG-CD2 3.65Å; M744-F760 HydrophobicContact CG-CE2 4.05Å; M744-F760 HydrophobicContact CG-CG 4.47Å; M744-F760 HydrophobicContact SD-CD2 3.97Å; M744-F760 HydrophobicContact SD-CE2 3.88Å; F760-A762 HydrophobicContact CE1-CB 4.06Å; F760-S773 CarbonylContact O-C 3.59Å; F760-S773 VanDerWaalsContact O-CA 3.31Å; F760-S773 WeakPolarHBondContact O-CA 3.48Å; F760-R774 PolarHBondContact N-O 3.33Å; F760-R774 PolarHBondContact O-N 2.89Å; F760-L788 HydrophobicContact CD2-CD2 4.27Å; F760-L788 HydrophobicContact CE2-CD2 4.35Å; F760-C791 HydrophobicContact CB-CB 3.99Å; F760-C791 HydrophobicContact CD1-CB 3.64Å; F760-C791 HydrophobicContact CD2-CB 3.67Å; F760-C791 HydrophobicContact CE1-CB 3.9Å; F760-C791 HydrophobicContact CE2-CB 3.95Å; F760-C791 HydrophobicContact CG-CB 3.5Å; F760-C791 HydrophobicContact CZ-CB 4.03Å; F760-L792 HydrophobicContact CZ-CB 4.14Å; F760-L792 HydrophobicContact CZ-CD1 4.42Å; F760-S795 WeakPolarHBondContact CE1-OG 3.42Å
761	V	98.3	Very high	86.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.7	-178.3	-179.3	0	0	0	0	109.5	I742 G743 W771 Y772 A947 L950 F972	I742-V761 CarbonylContact C-O 3.54Å; I742-V761 WeakPolarHBondContact CA-O 3.42Å; G743-V761 PolarHBondContact N-O 3.26Å; G743-V761 PolarHBondContact O-N 3.22Å; V761-W771 HydrophobicContact CG1-CB 4.01Å; V761-W771 HydrophobicContact CG1-CD2 4.22Å; V761-W771 HydrophobicContact CG1-CE3 3.76Å; V761-W771 HydrophobicContact CG1-CG 4.36Å; V761-Y772 CarbonylContact C-O 3.5Å; V761-Y772 WeakPolarHBondContact CA-O 3.3Å; V761-A947 HydrophobicContact CG2-CB 4.25Å; V761-L950 HydrophobicContact CG2-CD2 3.94Å; V761-F972 HydrophobicContact CG2-CZ 4.28Å
762	A	98.4	Very high	88.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.3	-177.8	0	0	0	0	0	111.2	M740 V741 I742 F760 W771 Y772 S795	M740-A762 HydrophobicContact CG-CB 4.47Å; M740-A762 HydrophobicContact SD-CB 4.28Å; V741-A762 CarbonylContact O-C 3.45Å; V741-A762 WeakPolarHBondContact O-CA 3.27Å; I742-A762 HydrophobicContact CG1-CB 3.91Å; F760-A762 HydrophobicContact CE1-CB 4.06Å; A762-W771 CarbonylContact O-C 3.52Å; A762-W771 WeakPolarHBondContact O-CA 3.47Å; A762-Y772 PolarHBondContact N-O 2.85Å; A762-Y772 PolarHBondContact O-N 3.44Å; A762-S795 WeakPolarHBondContact CB-OG 3.13Å
763	S	98.3	Very high	90.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139	171	63.1	0	0	0	0	110.7	V741 L768 K770	V741-S763 PolarHBondContact N-OG 3.01Å; V741-S763 PolarHBondContact O-N 3.32Å; V741-S763 PolarHBondContact O-OG 3.31Å; S763-L768 WeakPolarHBondContact OG-CD2 3.48Å; S763-K770 CarbonylContact C-O 3.51Å; S763-K770 VanDerWaalsContact CA-O 3.24Å; S763-K770 WeakPolarHBondContact CA-O 3.34Å
764	I	97.1	Very high	92.4	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.015	13%	0.13	C	C	.	.			trans	-116.3	-4	-176	60.7	175.8	0	0	0	115	K770 Y772 K798 V802 N803	I764-K770 HydrophobicContact CD1-CB 4.05Å; I764-K770 HydrophobicContact CG1-CB 3.54Å; I764-K770 PolarHBondContact N-O 2.88Å; I764-Y772 VanDerWaalsContact CG2-CB 3.43Å; I764-K798 HydrophobicContact CB-CG 4.5Å; I764-K798 HydrophobicContact CD1-CG 3.98Å; I764-K798 HydrophobicContact CG2-CB 4.24Å; I764-K798 HydrophobicContact CG2-CG 4.09Å; I764-V802 HydrophobicContact CD1-CG2 4.3Å; I764-N803 PolarHBondContact O-ND2 3.13Å
765	N	95.4	Very high	93.9	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.07	11%	0.112	C	C	.	.	S	Bend	trans	-125.7	160.3	176.1	68.9	-21.1	0	0	0	111.8	T767 L768 T769 K770 V802	N765-T767 PolarHBondContact ND2-OG1 2.99Å; N765-T767 PolarHBondContact O-N 3.34Å; N765-L768 PolarHBondContact O-N 2.59Å; N765-L768 PolarHBondContact OD1-N 3.28Å; N765-T769 PolarHBondContact ND2-OG1 2.9Å; N765-T769 PolarHBondContact OD1-N 3.45Å; N765-K770 HydrophobicContact CB-CB 4.33Å; N765-K770 PolarHBondContact OD1-N 3.14Å; N765-V802 HydrophobicContact CB-CG1 4.2Å
766	L	94	Very high	94.8	Very high	93 Å²	93	16.8 Å²	16.8	49%	0.487	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.8	-175.8	-57.6	-177.4	0	0	0	114.2	L768 F799 N803	L766-L768 VanDerWaalsContact C-N 3.3Å; L766-F799 HydrophobicContact CD2-CZ 3.88Å; L766-N803 WeakPolarHBondContact CG-OD1 3.09Å; L766-N803 PolarHBondContact N-OD1 2.88Å
767	T	92.8	Very high	95	Very high	86 Å²	86	19 Å²	19	53%	0.528	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.9	177.2	53.4	0	0	0	0	113.5	N765 T769	N765-T767 PolarHBondContact ND2-OG1 2.99Å; N765-T767 PolarHBondContact O-N 3.34Å; T767-T769 VanDerWaalsContact C-N 3.27Å; T767-T769 PolarHBondContact O-N 3.17Å; T767-T769 PolarHBondContact OG1-OG1 2.72Å
768	L	96.4	Very high	94.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.098	C	C	.	.	S	Bend	trans	57.8	36.7	178.9	-53.8	176.9	0	0	0	113.7	I734 L739 V741 S763 N765 L766 M930	I734-L768 HydrophobicContact CB-CD1 4.29Å; I734-L768 HydrophobicContact CD1-CD1 3.49Å; I734-L768 VanDerWaalsContact CD1-CD1 3.49Å; I734-L768 HydrophobicContact CG1-CD1 4.46Å; I734-L768 HydrophobicContact CG2-CD1 4.04Å; L739-L768 HydrophobicContact CD2-CD1 3.87Å; L739-L768 HydrophobicContact CG-CD1 4.37Å; L739-L768 HydrophobicContact CG-CD2 4.49Å; L739-L768 WeakPolarHBondContact O-CD2 3.37Å; V741-L768 HydrophobicContact CG2-CD1 3.86Å; V741-L768 HydrophobicContact CG2-CD2 4.06Å; S763-L768 WeakPolarHBondContact OG-CD2 3.48Å; N765-L768 PolarHBondContact O-N 2.59Å; N765-L768 PolarHBondContact OD1-N 3.28Å; L766-L768 VanDerWaalsContact C-N 3.3Å; L768-M930 WeakPolarHBondContact O-CE 3.38Å
769	T	95.2	Very high	93.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	13%	0.127	C	C	.	.			trans	-109.3	-28.7	-179.7	47.2	0	0	0	0	112.2	I598 E728 N765 T767 W771 M930 W932	I598-T769 HydrophobicContact CD1-CG2 4.47Å; E728-T769 VanDerWaalsContact CD-OG1 3.29Å; E728-T769 WeakPolarHBondContact OE2-CB 3.43Å; E728-T769 PolarHBondContact OE2-OG1 2.81Å; N765-T769 PolarHBondContact ND2-OG1 2.9Å; N765-T769 PolarHBondContact OD1-N 3.45Å; T767-T769 VanDerWaalsContact C-N 3.27Å; T767-T769 PolarHBondContact O-N 3.17Å; T767-T769 PolarHBondContact OG1-OG1 2.72Å; T769-W771 VanDerWaalsContact O-CD1 3.22Å; T769-W771 PolarHBondContact O-NE1 2.95Å; T769-M930 HydrophobicContact CG2-CE 3.87Å; T769-W932 HydrophobicContact CG2-CZ2 4.06Å; T769-W932 WeakPolarHBondContact O-CH2 3.44Å; T769-W932 WeakPolarHBondContact O-CZ3 3.29Å
770	K	95.7	Very high	92.2	Very high	80 Å²	80	28 Å²	28	35%	0.348	14%	0.143	S	C	.	.			trans	-94.4	144.3	175.5	-66.3	-171.1	-178.5	-171.2	0	111.6	E728 S763 I764 N765	E728-K770 HydrophobicContact CG-CG 4.35Å; E728-K770 WeakPolarHBondContact OE1-CE 3.23Å; E728-K770 WeakPolarHBondContact OE1-CG 3.5Å; E728-K770 IonicContact OE1-NZ 2.65Å; S763-K770 CarbonylContact C-O 3.51Å; S763-K770 VanDerWaalsContact CA-O 3.24Å; S763-K770 WeakPolarHBondContact CA-O 3.34Å; I764-K770 HydrophobicContact CD1-CB 4.05Å; I764-K770 HydrophobicContact CG1-CB 3.54Å; I764-K770 PolarHBondContact N-O 2.88Å; N765-K770 HydrophobicContact CB-CB 4.33Å; N765-K770 PolarHBondContact OD1-N 3.14Å
771	W	97.3	Very high	90.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.4	-172.9	-56.4	92.3	0	0	0	111.7	V761 A762 T769 P943 Y946 E968 L970	V761-W771 HydrophobicContact CG1-CB 4.01Å; V761-W771 HydrophobicContact CG1-CD2 4.22Å; V761-W771 HydrophobicContact CG1-CE3 3.76Å; V761-W771 HydrophobicContact CG1-CG 4.36Å; A762-W771 CarbonylContact O-C 3.52Å; A762-W771 WeakPolarHBondContact O-CA 3.47Å; T769-W771 VanDerWaalsContact O-CD1 3.22Å; T769-W771 PolarHBondContact O-NE1 2.95Å; W771-P943 HydrophobicContact CH2-CB 4.11Å; W771-P943 HydrophobicContact CH2-CG 4.2Å; W771-P943 HydrophobicContact CZ3-CB 3.78Å; W771-P943 HydrophobicContact CZ3-CG 4.31Å; W771-Y946 HydrophobicContact CD2-CD2 4.15Å; W771-Y946 HydrophobicContact CD2-CE2 4.19Å; W771-Y946 AromaticContact CE2-CE2 3.63Å; W771-Y946 HydrophobicContact CZ2-CD2 4.3Å; W771-Y946 AromaticContact CZ2-CE2 3.89Å; W771-Y946 HydrophobicContact CZ2-CE2 3.89Å; W771-Y946 AromaticContact NE1-CE2 3.67Å; W771-E968 CarbonylContact O-C 3.59Å; W771-E968 VanDerWaalsContact O-C 3.31Å; W771-E968 WeakPolarHBondContact O-CA 3.34Å; W771-E968 VanDerWaalsContact O-O 3.05Å; W771-L970 HydrophobicContact CB-CD2 3.93Å; W771-L970 HydrophobicContact CG-CD2 4.04Å
772	Y	97.7	Very high	89.1	Confident	22 Å²	22	36.5 Å²	36.5	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.9	168.9	-179	-97.4	0	0	0	109.7	V761 A762 I764 R774 S795 K798 C967 E968	V761-Y772 CarbonylContact C-O 3.5Å; V761-Y772 WeakPolarHBondContact CA-O 3.3Å; A762-Y772 PolarHBondContact N-O 2.85Å; A762-Y772 PolarHBondContact O-N 3.44Å; I764-Y772 VanDerWaalsContact CG2-CB 3.43Å; Y772-R774 HydrophobicContact CD1-CG 4.25Å; Y772-R774 HydrophobicContact CE1-CG 3.48Å; Y772-R774 VanDerWaalsContact CE1-CG 3.48Å; Y772-S795 WeakPolarHBondContact CD1-OG 3.49Å; Y772-K798 HydrophobicContact CD2-CB 4.26Å; Y772-K798 HydrophobicContact CD2-CG 4.03Å; Y772-K798 HydrophobicContact CG-CB 4.47Å; Y772-C967 CarbonylContact C-O 3.55Å; Y772-C967 VanDerWaalsContact CA-O 3.32Å; Y772-C967 WeakPolarHBondContact CA-O 3.44Å; Y772-C967 HydrophobicContact CD2-CB 3.93Å; Y772-C967 HydrophobicContact CE2-CB 3.54Å; Y772-E968 HydrophobicContact CD2-CG 4.03Å
773	S	97.2	Very high	87.3	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137	-170	60.5	0	0	0	0	112.4	F760 C967	F760-S773 CarbonylContact O-C 3.59Å; F760-S773 VanDerWaalsContact O-CA 3.31Å; F760-S773 WeakPolarHBondContact O-CA 3.48Å; S773-C967 PolarHBondContact N-O 2.9Å; S773-C967 VanDerWaalsContact O-CB 3.29Å; S773-C967 WeakPolarHBondContact O-CB 3.37Å; S773-C967 PolarHBondContact O-SG 3.36Å; S773-C967 PolarHBondContact OG-O 2.95Å
774	R	95.6	Very high	85.7	Confident	26 Å²	26	41.9 Å²	41.9	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.3	176.1	-69.6	-61.1	-58.6	-157.7	7.3	110.8	F760 Y772 C791 L950 E961	F760-R774 PolarHBondContact N-O 3.33Å; F760-R774 PolarHBondContact O-N 2.89Å; Y772-R774 HydrophobicContact CD1-CG 4.25Å; Y772-R774 HydrophobicContact CE1-CG 3.48Å; Y772-R774 VanDerWaalsContact CE1-CG 3.48Å; R774-C791 HydrophobicContact CB-CB 4.28Å; R774-L950 WeakPolarHBondContact O-CD2 3.35Å; R774-E961 IonicContact NH2-OE2 3.99Å
775	V	93.8	Very high	84.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	177.3	177.4	0	0	0	0	108.7	V757 V758 F777 L950 S954 P962	V757-V775 HydrophobicContact CG1-CG1 3.45Å; V757-V775 VanDerWaalsContact CG1-CG1 3.45Å; V758-V775 WeakPolarHBondContact O-CA 3.47Å; V775-F777 HydrophobicContact CG1-CD2 4.31Å; V775-F777 HydrophobicContact CG1-CE2 3.87Å; V775-L950 HydrophobicContact CG2-CD1 3.65Å; V775-L950 HydrophobicContact CG2-CD2 3.78Å; V775-L950 HydrophobicContact CG2-CG 3.51Å; V775-S954 WeakPolarHBondContact CG2-OG 3.23Å; V775-P962 HydrophobicContact CG2-CG 4.13Å
776	V	90	Very high	82.7	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.9	175.1	174.7	0	0	0	0	109.1	V758 Q778 C791	V758-V776 HydrophobicContact CB-CB 4.4Å; V758-V776 PolarHBondContact N-O 2.83Å; V758-V776 PolarHBondContact O-N 2.92Å; V758-V776 VanDerWaalsContact O-N 3.09Å; V776-Q778 HydrophobicContact CG1-CG 4.34Å; V776-C791 VanDerWaalsContact CG2-SG 3.55Å
777	F	87.1	Confident	81.8	Confident	46 Å²	46	43.9 Å²	43.9	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	140	173.1	-73.4	-101.7	0	0	0	111.2	R755 V757 V775 E961	R755-F777 HydrophobicContact CB-CD1 4.2Å; V757-F777 HydrophobicContact CG1-CZ 4.42Å; V757-F777 HydrophobicContact CG2-CD1 3.63Å; V757-F777 HydrophobicContact CG2-CE1 3.47Å; V757-F777 VanDerWaalsContact CG2-CE1 3.47Å; V757-F777 HydrophobicContact CG2-CG 4.37Å; V757-F777 HydrophobicContact CG2-CZ 4.09Å; V775-F777 HydrophobicContact CG1-CD2 4.31Å; V775-F777 HydrophobicContact CG1-CE2 3.87Å; F777-E961 HydrophobicContact CD2-CG 3.64Å; F777-E961 HydrophobicContact CE2-CB 4.44Å; F777-E961 HydrophobicContact CE2-CG 3.64Å
778	Q	80.6	Confident	81.4	Confident	13 Å²	13	39.9 Å²	39.9	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	172.6	-175.3	-65.1	-177.7	-12.5	0	0	112.2	R755 S756 V758 V776 Q782 V785	R755-Q778 WeakPolarHBondContact CA-O 3.4Å; R755-Q778 WeakPolarHBondContact CB-O 3.5Å; R755-Q778 WeakPolarHBondContact CG-O 3.25Å; S756-Q778 PolarHBondContact N-O 3.17Å; S756-Q778 PolarHBondContact O-N 2.53Å; V758-Q778 HydrophobicContact CG2-CG 4.15Å; V776-Q778 HydrophobicContact CG1-CG 4.34Å; Q778-Q782 PolarHBondContact OE1-O 2.81Å; Q778-V785 VanDerWaalsContact NE2-CA 3.28Å
779	M	73.9	Confident	81	Confident	129 Å²	129	45.9 Å²	45.9	64%	0.635	23%	0.226	S	C	*	.			trans	-60.8	149.6	173.5	-65.6	-63	-75.2	0	0	110.9	S756 Q782	S756-M779 PolarHBondContact OG-O 3.45Å; M779-Q782 WeakPolarHBondContact O-CB 3.05Å; M779-Q782 PolarHBondContact O-N 3.43Å
780	P	65.3	Low	80.6	Confident	50 Å²	50	50.6 Å²	50.6	33%	0.325	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	141.7	178.1	-25	34.5	0	0	0	112.3	Q782	P780-Q782 PolarHBondContact O-N 3.33Å
781	H	61.6	Low	80.5	Confident	133 Å²	133	47 Å²	47	62%	0.616	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	8.7	178.3	-49.9	86.3	0	0	0	116.5	S756 E783	S756-H781 PolarHBondContact OG-N 3.03Å; S756-H781 VanDerWaalsContact OG-N 3.08Å; H781-E783 PolarHBondContact O-N 2.79Å
782	Q	67.2	Low	80.4	Confident	46 Å²	46	46.7 Å²	46.7	22%	0.215	23%	0.234	C	C	.	.			trans	-82.6	106.7	175.6	-176.2	171.1	2.4	0	0	110.9	H748 S756 Q778 M779 P780 I784 D786	H748-Q782 PolarHBondContact CE1-O 2.79Å; S756-Q782 PolarHBondContact OG-N 2.99Å; Q778-Q782 PolarHBondContact OE1-O 2.81Å; M779-Q782 WeakPolarHBondContact O-CB 3.05Å; M779-Q782 PolarHBondContact O-N 3.43Å; P780-Q782 PolarHBondContact O-N 3.33Å; Q782-I784 VanDerWaalsContact CG-O 3.27Å; Q782-I784 WeakPolarHBondContact CG-O 3.38Å; Q782-I784 PolarHBondContact NE2-O 2.6Å; Q782-I784 VanDerWaalsContact NE2-O 3.13Å; Q782-D786 PolarHBondContact NE2-OD1 3.23Å; Q782-D786 VanDerWaalsContact NE2-OD1 3.17Å; Q782-D786 PolarHBondContact NE2-OD2 3.47Å
783	E	60.4	Low	80.3	Confident	68 Å²	68	46.7 Å²	46.7	32%	0.318	24%	0.236	S	C	.	.			trans	-82.1	-15.9	177.5	-65	-170.8	-172	0	0	113.5	H781 R814 Q821	H781-E783 PolarHBondContact O-N 2.79Å; E783-R814 PolarHBondContact O-NH2 2.81Å; E783-Q821 PolarHBondContact OE2-NE2 3.26Å; E783-Q821 PolarHBondContact OE2-OE1 2.82Å
784	I	65	Low	80.2	Confident	45 Å²	45	47.4 Å²	47.4	23%	0.231	24%	0.244	C	C	.	.	S	Bend	trans	-100.9	132.5	-175.4	-62.7	149.8	0	0	0	110.2	Q782 T824 E829	Q782-I784 VanDerWaalsContact CG-O 3.27Å; Q782-I784 WeakPolarHBondContact CG-O 3.38Å; Q782-I784 PolarHBondContact NE2-O 2.6Å; Q782-I784 VanDerWaalsContact NE2-O 3.13Å; I784-T824 HydrophobicContact CD1-CG2 3.22Å; I784-T824 HydrophobicContact CG1-CG2 3.95Å; I784-E829 WeakPolarHBondContact CA-OE1 3.36Å; I784-E829 HydrophobicContact CG2-CG 3.91Å
785	V	64.8	Low	80.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.239	C	C	.	.			trans	-86.7	122.3	-171.6	-169.4	0	0	0	0	113.2	M744 V746 V758 Q778 L788 E829 Q832	M744-V785 HydrophobicContact CE-CG2 4.23Å; V746-V785 HydrophobicContact CG2-CG2 4.3Å; V758-V785 HydrophobicContact CG1-CG1 4.16Å; V758-V785 HydrophobicContact CG1-CG2 3.86Å; V758-V785 HydrophobicContact CG2-CG1 4.08Å; V758-V785 HydrophobicContact CG2-CG2 3.87Å; Q778-V785 VanDerWaalsContact NE2-CA 3.28Å; V785-L788 HydrophobicContact CB-CD1 4.05Å; V785-L788 HydrophobicContact CB-CD2 3.79Å; V785-L788 HydrophobicContact CB-CG 3.72Å; V785-L788 HydrophobicContact CG1-CD1 4.34Å; V785-L788 HydrophobicContact CG1-CD2 3.38Å; V785-L788 HydrophobicContact CG1-CG 3.46Å; V785-L788 VanDerWaalsContact CG1-CG 3.46Å; V785-L788 HydrophobicContact CG2-CD2 4.31Å; V785-E829 PolarHBondContact N-OE1 3.44Å; V785-E829 VanDerWaalsContact N-OE1 3.11Å; V785-Q832 PolarHBondContact O-NE2 3.14Å; V785-Q832 VanDerWaalsContact O-NE2 3.08Å; V785-Q832 PolarHBondContact O-OE1 3.23Å
786	D	65.9	Low	80.4	Confident	93 Å²	93	46 Å²	46	50%	0.497	24%	0.238	S	C	.	.	S	Bend	trans	-96	-10.8	-179.6	-72.9	-6.8	0	0	0	114.7	Q782 Q832	Q782-D786 PolarHBondContact NE2-OD1 3.23Å; Q782-D786 VanDerWaalsContact NE2-OD1 3.17Å; Q782-D786 PolarHBondContact NE2-OD2 3.47Å; D786-Q832 PolarHBondContact O-OE1 3.11Å
787	S	75.4	Confident	80.7	Confident	58 Å²	58	51 Å²	51	41%	0.406	26%	0.259	S	S	.	.			trans	-128.6	43.1	-175.3	-43.8	0	0	0	0	113.1	K789	S787-K789 PolarHBondContact O-N 3Å
788	L	84.1	Confident	81.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-24.7	176.7	-69.7	171.8	0	0	0	113.6	M744 F760 V785 L790 C791 L792 E829 L833	M744-L788 HydrophobicContact CE-CD1 4.11Å; M744-L788 HydrophobicContact CE-CD2 3.24Å; M744-L788 HydrophobicContact CE-CG 4.32Å; M744-L788 HydrophobicContact SD-CD2 4.1Å; F760-L788 HydrophobicContact CD2-CD2 4.27Å; F760-L788 HydrophobicContact CE2-CD2 4.35Å; V785-L788 HydrophobicContact CB-CD1 4.05Å; V785-L788 HydrophobicContact CB-CD2 3.79Å; V785-L788 HydrophobicContact CB-CG 3.72Å; V785-L788 HydrophobicContact CG1-CD1 4.34Å; V785-L788 HydrophobicContact CG1-CD2 3.38Å; V785-L788 HydrophobicContact CG1-CG 3.46Å; V785-L788 VanDerWaalsContact CG1-CG 3.46Å; V785-L788 HydrophobicContact CG2-CD2 4.31Å; L788-L790 PolarHBondContact O-N 3.06Å; L788-C791 PolarHBondContact O-N 3.29Å; L788-L792 PolarHBondContact O-N 3.15Å; L788-E829 HydrophobicContact CD1-CB 4.11Å; L788-E829 HydrophobicContact CD1-CG 4.47Å; L788-L833 HydrophobicContact CB-CD2 3.93Å; L788-L833 HydrophobicContact CD1-CD2 3.95Å; L788-L833 HydrophobicContact CD1-CG 3.94Å; L788-L833 HydrophobicContact CD2-CD2 4.36Å; L788-L833 HydrophobicContact CG-CD2 4.3Å
789	K	86.6	Confident	82	Confident	129 Å²	129	49.7 Å²	49.7	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-58.2	-45.5	-176.1	-172.2	173.6	-178.4	174.1	0	113.1	S787 C791 V793 C836	S787-K789 PolarHBondContact O-N 3Å; K789-C791 VanDerWaalsContact C-N 3.31Å; K789-C791 PolarHBondContact O-N 2.98Å; K789-V793 HydrophobicContact CG-CG2 4.1Å; K789-V793 VanDerWaalsContact O-CB 3.32Å; K789-V793 WeakPolarHBondContact O-CB 3.36Å; K789-V793 VanDerWaalsContact O-CG2 3.25Å; K789-V793 WeakPolarHBondContact O-CG2 2.83Å; K789-V793 PolarHBondContact O-N 3.4Å; K789-C836 VanDerWaalsContact CA-SG 3.51Å
790	L	87	Confident	83.1	Confident	101 Å²	101	49.5 Å²	49.5	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-40.6	-179.5	-174.9	141.1	0	0	0	111.6	L788 G794	L788-L790 PolarHBondContact O-N 3.06Å; L790-G794 PolarHBondContact O-N 3.43Å
791	C	93.9	Very high	84.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-54.7	179.8	-62.1	0	0	0	0	112	F760 R774 V776 L788 K789 G794 S795	F760-C791 HydrophobicContact CB-CB 3.99Å; F760-C791 HydrophobicContact CD1-CB 3.64Å; F760-C791 HydrophobicContact CD2-CB 3.67Å; F760-C791 HydrophobicContact CE1-CB 3.9Å; F760-C791 HydrophobicContact CE2-CB 3.95Å; F760-C791 HydrophobicContact CG-CB 3.5Å; F760-C791 HydrophobicContact CZ-CB 4.03Å; R774-C791 HydrophobicContact CB-CB 4.28Å; V776-C791 VanDerWaalsContact CG2-SG 3.55Å; L788-C791 PolarHBondContact O-N 3.29Å; K789-C791 VanDerWaalsContact C-N 3.31Å; K789-C791 PolarHBondContact O-N 2.98Å; C791-G794 PolarHBondContact O-N 2.81Å; C791-S795 PolarHBondContact O-N 3.11Å; C791-S795 PolarHBondContact O-OG 3.08Å; C791-S795 VanDerWaalsContact O-OG 3.14Å
792	L	95.7	Very high	86.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.7	-42.2	-173.8	179.4	56.6	0	0	0	112.3	I742 F760 L788 G794 S795 L796 L833 C836 F837	I742-L792 HydrophobicContact CD1-CD1 3.69Å; F760-L792 HydrophobicContact CZ-CB 4.14Å; F760-L792 HydrophobicContact CZ-CD1 4.42Å; L788-L792 PolarHBondContact O-N 3.15Å; L792-G794 VanDerWaalsContact C-N 3.32Å; L792-G794 PolarHBondContact O-N 3.1Å; L792-S795 PolarHBondContact O-N 2.97Å; L792-L796 HydrophobicContact CD1-CD1 4.13Å; L792-L796 HydrophobicContact CD1-CG 4.03Å; L792-L796 HydrophobicContact CG-CD1 4.02Å; L792-L796 HydrophobicContact CG-CG 4.39Å; L792-L796 VanDerWaalsContact O-CG 3.32Å; L792-L796 WeakPolarHBondContact O-CG 2.83Å; L792-L796 PolarHBondContact O-N 3.17Å; L792-L833 HydrophobicContact CB-CD2 4.38Å; L792-L833 HydrophobicContact CD2-CB 4.04Å; L792-L833 HydrophobicContact CD2-CD2 3.75Å; L792-L833 WeakPolarHBondContact CD2-O 3.47Å; L792-C836 HydrophobicContact CB-CB 4.25Å; L792-C836 HydrophobicContact CD2-CB 3.67Å; L792-C836 HydrophobicContact CG-CB 3.98Å; L792-F837 HydrophobicContact CD2-CE1 4.02Å
793	V	95.1	Very high	87.6	Confident	21 Å²	21	47.9 Å²	47.9	13%	0.127	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-41.9	176.8	174.3	0	0	0	0	110.7	K789 L796 K797 C836 A839 F840	K789-V793 HydrophobicContact CG-CG2 4.1Å; K789-V793 VanDerWaalsContact O-CB 3.32Å; K789-V793 WeakPolarHBondContact O-CB 3.36Å; K789-V793 VanDerWaalsContact O-CG2 3.25Å; K789-V793 WeakPolarHBondContact O-CG2 2.83Å; K789-V793 PolarHBondContact O-N 3.4Å; V793-L796 PolarHBondContact O-N 3.02Å; V793-K797 HydrophobicContact CG1-CD 4.4Å; V793-K797 WeakPolarHBondContact O-CG 3.33Å; V793-K797 PolarHBondContact O-N 2.96Å; V793-C836 HydrophobicContact CG2-CB 3.99Å; V793-A839 HydrophobicContact CG1-CB 4.48Å; V793-A839 HydrophobicContact CG2-CB 4.1Å; V793-F840 HydrophobicContact CG1-CE2 4.36Å; V793-F840 HydrophobicContact CG1-CZ 4.27Å
794	G	94.6	Very high	89.3	Confident	17 Å²	17	51.8 Å²	51.8	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-44.8	174.5	0	0	0	0	0	112.6	L790 C791 L792 L796 K797 K798	L790-G794 PolarHBondContact O-N 3.43Å; C791-G794 PolarHBondContact O-N 2.81Å; L792-G794 VanDerWaalsContact C-N 3.32Å; L792-G794 PolarHBondContact O-N 3.1Å; G794-L796 PolarHBondContact O-N 2.98Å; G794-K797 PolarHBondContact O-N 2.81Å; G794-K798 PolarHBondContact O-N 2.76Å
795	S	97.1	Very high	90.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-41.8	175.9	-65.7	0	0	0	0	113.3	F760 A762 Y772 C791 L792 K798 F799	F760-S795 WeakPolarHBondContact CE1-OG 3.42Å; A762-S795 WeakPolarHBondContact CB-OG 3.13Å; Y772-S795 WeakPolarHBondContact CD1-OG 3.49Å; C791-S795 PolarHBondContact O-N 3.11Å; C791-S795 PolarHBondContact O-OG 3.08Å; C791-S795 VanDerWaalsContact O-OG 3.14Å; L792-S795 PolarHBondContact O-N 2.97Å; S795-K798 PolarHBondContact O-N 3.43Å; S795-F799 WeakPolarHBondContact O-CB 3.4Å; S795-F799 PolarHBondContact O-N 3.18Å
796	L	97.6	Very high	92.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-42.5	179	-72.2	171.1	0	0	0	111.8	M740 L792 V793 G794 K798 F799 Y800 L806 P807 I810 F837 F840 Y843	M740-L796 HydrophobicContact CE-CD2 4.16Å; M740-L796 HydrophobicContact SD-CD2 4.26Å; L792-L796 HydrophobicContact CD1-CD1 4.13Å; L792-L796 HydrophobicContact CD1-CG 4.03Å; L792-L796 HydrophobicContact CG-CD1 4.02Å; L792-L796 HydrophobicContact CG-CG 4.39Å; L792-L796 VanDerWaalsContact O-CG 3.32Å; L792-L796 WeakPolarHBondContact O-CG 2.83Å; L792-L796 PolarHBondContact O-N 3.17Å; V793-L796 PolarHBondContact O-N 3.02Å; G794-L796 PolarHBondContact O-N 2.98Å; L796-K798 PolarHBondContact O-N 3.48Å; L796-F799 PolarHBondContact O-N 2.93Å; L796-Y800 PolarHBondContact O-N 3.35Å; L796-L806 HydrophobicContact CB-CD2 4.27Å; L796-P807 HydrophobicContact CD2-CG 3.58Å; L796-I810 HydrophobicContact CD2-CD1 4.16Å; L796-F837 HydrophobicContact CD1-CD1 4.27Å; L796-F840 HydrophobicContact CB-CE1 4.37Å; L796-F840 HydrophobicContact CB-CE2 3.71Å; L796-F840 HydrophobicContact CB-CZ 3.51Å; L796-F840 HydrophobicContact CD1-CD2 4.16Å; L796-F840 HydrophobicContact CD1-CE2 3.58Å; L796-F840 HydrophobicContact CD1-CZ 4.29Å; L796-F840 HydrophobicContact CG-CE2 4.3Å; L796-Y843 HydrophobicContact CD1-CE1 3.97Å; L796-Y843 HydrophobicContact CD2-CE1 4.16Å; L796-Y843 WeakPolarHBondContact CD2-OH 3.45Å
797	K	96.6	Very high	93.7	Very high	117 Å²	117	48.6 Å²	48.6	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-47.7	173	-72.5	-179.7	178.8	-172.8	0	111.2	V793 G794 F799 Y800 E801 F840	V793-K797 HydrophobicContact CG1-CD 4.4Å; V793-K797 WeakPolarHBondContact O-CG 3.33Å; V793-K797 PolarHBondContact O-N 2.96Å; G794-K797 PolarHBondContact O-N 2.81Å; K797-F799 VanDerWaalsContact C-N 3.34Å; K797-F799 PolarHBondContact O-N 2.87Å; K797-Y800 WeakPolarHBondContact O-CB 3.38Å; K797-Y800 PolarHBondContact O-N 3.12Å; K797-Y800 VanDerWaalsContact O-N 3.16Å; K797-E801 WeakPolarHBondContact O-CG 3.42Å; K797-E801 PolarHBondContact O-N 3.48Å; K797-F840 HydrophobicContact CG-CE1 4.04Å; K797-F840 HydrophobicContact CG-CZ 3.95Å
798	K	96.7	Very high	94.8	Very high	31 Å²	31	50.1 Å²	50.1	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-38.5	178.6	-164.4	71.7	-141.9	178.2	0	112.7	I764 Y772 G794 S795 L796 Y800 E801 V802 E968	I764-K798 HydrophobicContact CB-CG 4.5Å; I764-K798 HydrophobicContact CD1-CG 3.98Å; I764-K798 HydrophobicContact CG2-CB 4.24Å; I764-K798 HydrophobicContact CG2-CG 4.09Å; Y772-K798 HydrophobicContact CD2-CB 4.26Å; Y772-K798 HydrophobicContact CD2-CG 4.03Å; Y772-K798 HydrophobicContact CG-CB 4.47Å; G794-K798 PolarHBondContact O-N 2.76Å; S795-K798 PolarHBondContact O-N 3.43Å; L796-K798 PolarHBondContact O-N 3.48Å; K798-Y800 VanDerWaalsContact C-N 3.34Å; K798-E801 WeakPolarHBondContact CD-OE2 3.29Å; K798-E801 VanDerWaalsContact CE-OE2 3.23Å; K798-E801 WeakPolarHBondContact CE-OE2 3.36Å; K798-E801 IonicContact NZ-OE2 2.64Å; K798-E801 PolarHBondContact NZ-OE2 3.4Å; K798-E801 PolarHBondContact O-N 3Å; K798-V802 WeakPolarHBondContact O-CG2 3.19Å; K798-V802 PolarHBondContact O-N 2.94Å; K798-V802 VanDerWaalsContact O-N 3.12Å; K798-E968 HydrophobicContact CD-CG 4.11Å; K798-E968 WeakPolarHBondContact CD-OE1 3.47Å; K798-E968 WeakPolarHBondContact CE-OE1 3.32Å; K798-E968 WeakPolarHBondContact CE-OE2 3.32Å; K798-E968 HydrophobicContact CG-CG 4.49Å; K798-E968 IonicContact NZ-OE1 3.21Å; K798-E968 PolarHBondContact NZ-OE1 2.9Å; K798-E968 IonicContact NZ-OE2 3.83Å; K798-E968 PolarHBondContact NZ-OE2 3.49Å
799	F	97.5	Very high	95.4	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.5	174.3	-171.4	-76.1	0	0	0	111.2	M740 L766 S795 L796 K797 V802 N803 C805 P807	M740-F799 HydrophobicContact CB-CD2 4.31Å; M740-F799 HydrophobicContact CB-CE2 4.25Å; M740-F799 HydrophobicContact CE-CB 3.39Å; M740-F799 HydrophobicContact CE-CD2 3.49Å; M740-F799 VanDerWaalsContact CE-CD2 3.49Å; M740-F799 HydrophobicContact CE-CE2 4.49Å; M740-F799 HydrophobicContact CE-CG 3.66Å; L766-F799 HydrophobicContact CD2-CZ 3.88Å; S795-F799 WeakPolarHBondContact O-CB 3.4Å; S795-F799 PolarHBondContact O-N 3.18Å; L796-F799 PolarHBondContact O-N 2.93Å; K797-F799 VanDerWaalsContact C-N 3.34Å; K797-F799 PolarHBondContact O-N 2.87Å; F799-V802 PolarHBondContact O-N 2.92Å; F799-N803 HydrophobicContact CD1-CB 4.35Å; F799-N803 VanDerWaalsContact CD1-ND2 3.35Å; F799-N803 WeakPolarHBondContact CD1-ND2 3.4Å; F799-N803 HydrophobicContact CE1-CB 4.05Å; F799-N803 WeakPolarHBondContact CE1-ND2 3.12Å; F799-N803 WeakPolarHBondContact CG-ND2 3.41Å; F799-N803 PolarHBondContact O-N 3.45Å; F799-N803 PolarHBondContact O-ND2 3.05Å; F799-C805 WeakPolarHBondContact CD1-O 3.44Å; F799-C805 WeakPolarHBondContact CE1-O 3.5Å; F799-P807 HydrophobicContact CD1-CB 4.3Å; F799-P807 HydrophobicContact CD1-CG 4.22Å; F799-P807 HydrophobicContact CE1-CB 3.9Å; F799-P807 HydrophobicContact CE1-CG 4.32Å; F799-P807 HydrophobicContact CE2-CB 4.18Å; F799-P807 HydrophobicContact CG-CG 4.37Å; F799-P807 HydrophobicContact CZ-CB 3.83Å
800	Y	96.9	Very high	96	Very high	126 Å²	126	45.9 Å²	45.9	49%	0.494	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-41.3	175.2	-176	-99	0	0	0	112.4	L796 K797 K798 V802 H804 L806	L796-Y800 PolarHBondContact O-N 3.35Å; K797-Y800 WeakPolarHBondContact O-CB 3.38Å; K797-Y800 PolarHBondContact O-N 3.12Å; K797-Y800 VanDerWaalsContact O-N 3.16Å; K798-Y800 VanDerWaalsContact C-N 3.34Å; Y800-V802 VanDerWaalsContact C-N 3.27Å; Y800-V802 PolarHBondContact O-N 2.82Å; Y800-H804 WeakPolarHBondContact O-CA 3.46Å; Y800-H804 PolarHBondContact O-N 3.42Å; Y800-L806 HydrophobicContact CD2-CD2 4.48Å; Y800-L806 HydrophobicContact CD2-CG 4.2Å
801	E	96.5	Very high	96.6	Very high	107 Å²	107	41.2 Å²	41.2	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-58.5	-38.1	175.3	-72.8	168.3	-152.9	0	0	112.6	K797 K798	K797-E801 WeakPolarHBondContact O-CG 3.42Å; K797-E801 PolarHBondContact O-N 3.48Å; K798-E801 WeakPolarHBondContact CD-OE2 3.29Å; K798-E801 VanDerWaalsContact CE-OE2 3.23Å; K798-E801 WeakPolarHBondContact CE-OE2 3.36Å; K798-E801 IonicContact NZ-OE2 2.64Å; K798-E801 PolarHBondContact NZ-OE2 3.4Å; K798-E801 PolarHBondContact O-N 3Å
802	V	95.8	Very high	96.8	Very high	54 Å²	54	41.1 Å²	41.1	33%	0.327	20%	0.2	S	C	.	.	H	α-helix	trans	-83.9	-37.5	-176.3	173.7	0	0	0	0	112.8	I764 N765 K798 F799 Y800	I764-V802 HydrophobicContact CD1-CG2 4.3Å; N765-V802 HydrophobicContact CB-CG1 4.2Å; K798-V802 WeakPolarHBondContact O-CG2 3.19Å; K798-V802 PolarHBondContact O-N 2.94Å; K798-V802 VanDerWaalsContact O-N 3.12Å; F799-V802 PolarHBondContact O-N 2.92Å; Y800-V802 VanDerWaalsContact C-N 3.27Å; Y800-V802 PolarHBondContact O-N 2.82Å
803	N	96.1	Very high	96.9	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-110.8	-8.2	-170.5	-50.8	-79	0	0	0	113.7	I764 L766 F799 C805	I764-N803 PolarHBondContact O-ND2 3.13Å; L766-N803 WeakPolarHBondContact CG-OD1 3.09Å; L766-N803 PolarHBondContact N-OD1 2.88Å; F799-N803 HydrophobicContact CD1-CB 4.35Å; F799-N803 VanDerWaalsContact CD1-ND2 3.35Å; F799-N803 WeakPolarHBondContact CD1-ND2 3.4Å; F799-N803 HydrophobicContact CE1-CB 4.05Å; F799-N803 WeakPolarHBondContact CE1-ND2 3.12Å; F799-N803 WeakPolarHBondContact CG-ND2 3.41Å; F799-N803 PolarHBondContact O-N 3.45Å; F799-N803 PolarHBondContact O-ND2 3.05Å; N803-C805 PolarHBondContact O-N 3.44Å; N803-C805 VanDerWaalsContact O-N 3.12Å
804	H	95.7	Very high	97	Very high	149 Å²	149	40.1 Å²	40.1	69%	0.69	19%	0.194	S	C	*	.	S	Bend	trans	56.4	20.3	-172.7	-53.7	-60.7	0	0	0	114.4	Y800	Y800-H804 WeakPolarHBondContact O-CA 3.46Å; Y800-H804 PolarHBondContact O-N 3.42Å
805	C	95.3	Very high	96.9	Very high	37 Å²	37	39.5 Å²	39.5	25%	0.25	19%	0.187	C	C	.	.	S	Bend	trans	-147.3	157.9	171.7	70.2	0	0	0	0	109.9	Q738 F799 N803	Q738-C805 PolarHBondContact OE1-SG 2.97Å; F799-C805 WeakPolarHBondContact CD1-O 3.44Å; F799-C805 WeakPolarHBondContact CE1-O 3.5Å; N803-C805 PolarHBondContact O-N 3.44Å; N803-C805 VanDerWaalsContact O-N 3.12Å
806	L	97	Very high	96.1	Very high	36 Å²	36	41.5 Å²	41.5	19%	0.188	21%	0.207	C	C	.	.			trans	-86.1	151.8	171.3	-70.6	170.2	0	0	0	110	Q738 L796 Y800 E808 F840 Y843	Q738-L806 PolarHBondContact OE1-O 2.97Å; L796-L806 HydrophobicContact CB-CD2 4.27Å; Y800-L806 HydrophobicContact CD2-CD2 4.48Å; Y800-L806 HydrophobicContact CD2-CG 4.2Å; L806-E808 PolarHBondContact O-N 3.33Å; L806-F840 HydrophobicContact CD1-CB 3.94Å; L806-F840 HydrophobicContact CD1-CD1 3.92Å; L806-F840 HydrophobicContact CD1-CG 4.02Å; L806-F840 HydrophobicContact CD2-CD1 4.14Å; L806-F840 HydrophobicContact CD2-CE1 4.13Å; L806-Y843 HydrophobicContact CB-CD2 3.96Å; L806-Y843 HydrophobicContact CB-CE2 3.53Å; L806-Y843 HydrophobicContact CD1-CD1 4.27Å; L806-Y843 HydrophobicContact CD1-CD2 3.73Å; L806-Y843 HydrophobicContact CD1-CE2 4.07Å; L806-Y843 HydrophobicContact CD1-CG 3.84Å; L806-Y843 HydrophobicContact CG-CD2 4.49Å; L806-Y843 HydrophobicContact CG-CE2 4.38Å
807	P	97.6	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.			trans	-69.7	130.1	-179	28.2	-31.7	0	0	0	111	Q738 M740 L796 F799 K809 I810 Y843 P845	Q738-P807 CarbonylContact O-C 3.52Å; Q738-P807 WeakPolarHBondContact O-CA 3.31Å; M740-P807 HydrophobicContact CB-CB 3.77Å; M740-P807 HydrophobicContact CB-CG 3.89Å; M740-P807 HydrophobicContact CE-CG 4.06Å; M740-P807 HydrophobicContact SD-CG 4.36Å; L796-P807 HydrophobicContact CD2-CG 3.58Å; F799-P807 HydrophobicContact CD1-CB 4.3Å; F799-P807 HydrophobicContact CD1-CG 4.22Å; F799-P807 HydrophobicContact CE1-CB 3.9Å; F799-P807 HydrophobicContact CE1-CG 4.32Å; F799-P807 HydrophobicContact CE2-CB 4.18Å; F799-P807 HydrophobicContact CG-CG 4.37Å; F799-P807 HydrophobicContact CZ-CB 3.83Å; P807-K809 VanDerWaalsContact C-N 3.28Å; P807-K809 PolarHBondContact O-N 3.28Å; P807-I810 HydrophobicContact CG-CD1 4.43Å; P807-I810 HydrophobicContact CG-CG1 4.19Å; P807-Y843 WeakPolarHBondContact CD-OH 3.36Å; P807-Y843 WeakPolarHBondContact CG-OH 3.27Å; P807-Y843 WeakPolarHBondContact O-CE2 3.5Å; P807-Y843 PolarHBondContact O-OH 3.13Å; P807-P845 WeakPolarHBondContact O-CB 3.5Å
808	E	97.1	Very high	95.1	Very high	90 Å²	90	39.3 Å²	39.3	42%	0.421	21%	0.206	S	C	.	.	S	Bend	trans	-71	-26.7	173.5	-68	178	-179.6	0	0	112.7	Q738 L806 P845 K846	Q738-E808 HydrophobicContact CB-CB 4.06Å; Q738-E808 HydrophobicContact CB-CG 3.92Å; Q738-E808 HydrophobicContact CG-CG 4.46Å; Q738-E808 PolarHBondContact NE2-OE1 3.44Å; Q738-E808 PolarHBondContact O-N 3.18Å; L806-E808 PolarHBondContact O-N 3.33Å; E808-P845 WeakPolarHBondContact O-CA 3.36Å; E808-K846 PolarHBondContact O-N 3.36Å
809	K	97.9	Very high	94.5	Very high	40 Å²	40	42 Å²	42	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.3	-174.5	-59.4	175.4	-159.5	67	0	110	K737 Q738 L739 M740 P807 K846	K737-K809 PolarHBondContact O-NZ 3.25Å; Q738-K809 PolarHBondContact O-N 2.97Å; Q738-K809 VanDerWaalsContact O-N 3.14Å; L739-K809 WeakPolarHBondContact CA-O 3.28Å; L739-K809 HydrophobicContact CD1-CB 4.06Å; M740-K809 PolarHBondContact N-O 3.33Å; P807-K809 VanDerWaalsContact C-N 3.28Å; P807-K809 PolarHBondContact O-N 3.28Å; K809-K846 CarbonylContact C-O 3.57Å; K809-K846 VanDerWaalsContact CA-O 3.27Å; K809-K846 WeakPolarHBondContact CA-O 3.39Å
810	I	98.5	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.9	177.3	-58	175.9	0	0	0	108.7	M740 I742 L796 P807 V812 F837 P845 K846 M847 V848	M740-I810 HydrophobicContact CB-CG1 4.43Å; M740-I810 CarbonylContact O-C 3.5Å; M740-I810 WeakPolarHBondContact O-CA 3.38Å; I742-I810 HydrophobicContact CD1-CG2 3.56Å; I742-I810 HydrophobicContact CG1-CG2 4.27Å; L796-I810 HydrophobicContact CD2-CD1 4.16Å; P807-I810 HydrophobicContact CG-CD1 4.43Å; P807-I810 HydrophobicContact CG-CG1 4.19Å; I810-V812 HydrophobicContact CG2-CG2 4.07Å; I810-F837 HydrophobicContact CD1-CE1 3.54Å; I810-F837 HydrophobicContact CD1-CZ 3.84Å; I810-P845 HydrophobicContact CD1-CB 4.19Å; I810-P845 HydrophobicContact CD1-CG 3.91Å; I810-P845 HydrophobicContact CG1-CB 4.37Å; I810-K846 PolarHBondContact N-O 3.44Å; I810-M847 HydrophobicContact CB-CE 4.45Å; I810-M847 HydrophobicContact CG2-CE 4.12Å; I810-M847 CarbonylContact O-C 3.6Å; I810-M847 VanDerWaalsContact O-CA 3.28Å; I810-M847 WeakPolarHBondContact O-CA 3.35Å; I810-V848 PolarHBondContact O-N 2.98Å
811	V	98.7	Very high	93.4	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.5	175.4	178.3	0	0	0	0	109	L739 M740 V741 I742 Y813 V848 F850 L923	L739-V811 HydrophobicContact CD1-CB 4.26Å; L739-V811 HydrophobicContact CD1-CG2 3.65Å; M740-V811 PolarHBondContact O-N 3.02Å; V741-V811 CarbonylContact C-O 3.25Å; V741-V811 VanDerWaalsContact CA-O 3.32Å; V741-V811 WeakPolarHBondContact CA-O 3.28Å; I742-V811 PolarHBondContact N-O 3.39Å; V811-Y813 HydrophobicContact CG1-CD2 4.1Å; V811-Y813 HydrophobicContact CG1-CE2 3.53Å; V811-V848 CarbonylContact C-O 3.54Å; V811-V848 WeakPolarHBondContact CA-O 2.76Å; V811-V848 HydrophobicContact CG2-CB 4.18Å; V811-V848 HydrophobicContact CG2-CG2 4.41Å; V811-F850 HydrophobicContact CG1-CD2 3.94Å; V811-F850 HydrophobicContact CG1-CE2 3.81Å; V811-L923 HydrophobicContact CB-CD2 4.42Å; V811-L923 HydrophobicContact CG1-CD2 4.16Å; V811-L923 HydrophobicContact CG2-CD2 3.93Å
812	V	98.6	Very high	93.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.5	-178.5	-173.4	0	0	0	0	109.7	I742 M744 I810 L833 M847 V848 V849 F850	I742-V812 HydrophobicContact CB-CG1 4.41Å; I742-V812 HydrophobicContact CB-CG2 4.24Å; I742-V812 HydrophobicContact CD1-CG2 4.25Å; I742-V812 HydrophobicContact CG2-CG1 4.37Å; I742-V812 CarbonylContact O-C 3.33Å; I742-V812 WeakPolarHBondContact O-CA 3.35Å; M744-V812 HydrophobicContact CG-CG1 4.44Å; M744-V812 HydrophobicContact SD-CG1 3.65Å; I810-V812 HydrophobicContact CG2-CG2 4.07Å; V812-L833 HydrophobicContact CG2-CD1 4.35Å; V812-M847 HydrophobicContact CG2-CE 4.36Å; V812-V848 PolarHBondContact N-O 3.36Å; V812-V849 HydrophobicContact CB-CG1 4.31Å; V812-V849 HydrophobicContact CB-CG2 4.19Å; V812-V849 HydrophobicContact CG2-CG2 4.33Å; V812-F850 PolarHBondContact O-N 2.97Å
813	Y	98.6	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.6	170.6	-67.7	-91	0	0	0	110.5	V741 I742 G743 M744 V811 F850 V852 Y906 T924 L927 P941 C944	V741-Y813 HydrophobicContact CG1-CD2 3.95Å; V741-Y813 HydrophobicContact CG1-CE2 3.93Å; I742-Y813 PolarHBondContact O-N 2.92Å; G743-Y813 WeakPolarHBondContact CA-O 3.44Å; M744-Y813 PolarHBondContact N-O 2.97Å; V811-Y813 HydrophobicContact CG1-CD2 4.1Å; V811-Y813 HydrophobicContact CG1-CE2 3.53Å; Y813-F850 WeakPolarHBondContact CA-O 3.35Å; Y813-F850 HydrophobicContact CD1-CB 3.66Å; Y813-F850 AromaticContact CD1-CD2 3.91Å; Y813-F850 HydrophobicContact CD1-CD2 3.91Å; Y813-F850 HydrophobicContact CD1-CG 4.05Å; Y813-F850 HydrophobicContact CE1-CB 3.97Å; Y813-F850 AromaticContact CE1-CD2 3.49Å; Y813-F850 HydrophobicContact CE1-CD2 3.49Å; Y813-F850 VanDerWaalsContact CE1-CD2 3.49Å; Y813-F850 HydrophobicContact CE1-CE2 4.18Å; Y813-F850 AromaticContact CE1-CG 3.83Å; Y813-F850 HydrophobicContact CE1-CG 3.83Å; Y813-F850 HydrophobicContact CE2-CD2 4.35Å; Y813-F850 HydrophobicContact CG-CB 4.4Å; Y813-F850 HydrophobicContact CG-CD2 4.49Å; Y813-F850 AromaticContact CZ-CD2 3.74Å; Y813-V852 HydrophobicContact CD1-CG2 3.8Å; Y813-V852 HydrophobicContact CG-CG2 4.4Å; Y813-Y906 HydrophobicContact CD1-CD1 4.41Å; Y813-Y906 HydrophobicContact CD1-CE1 4.44Å; Y813-Y906 HydrophobicContact CE1-CD1 4.3Å; Y813-Y906 HydrophobicContact CE1-CE1 4.39Å; Y813-T924 HydrophobicContact CE1-CG2 3.98Å; Y813-T924 WeakPolarHBondContact OH-CA 3.22Å; Y813-T924 PolarHBondContact OH-N 3.12Å; Y813-T924 PolarHBondContact OH-OG1 3.41Å; Y813-L927 HydrophobicContact CD2-CD1 4.32Å; Y813-L927 HydrophobicContact CE2-CD1 3.38Å; Y813-P941 HydrophobicContact CD1-CG 3.81Å; Y813-P941 HydrophobicContact CD2-CB 4.49Å; Y813-P941 HydrophobicContact CE1-CG 3.81Å; Y813-P941 HydrophobicContact CG-CB 4.46Å; Y813-P941 HydrophobicContact CG-CG 4.18Å; Y813-C944 WeakPolarHBondContact CB-SG 3.37Å; Y813-C944 PolarHBondContact O-SG 3.29Å
814	R	96.3	Very high	92.8	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.4	-178.1	179.3	77.4	-172.6	80.2	13.4	110.6	V746 E783 V817 E829 F850 V851 V852	V746-R814 VanDerWaalsContact CG2-NH2 3.26Å; E783-R814 PolarHBondContact O-NH2 2.81Å; R814-V817 HydrophobicContact CG-CG2 3.79Å; R814-E829 WeakPolarHBondContact CD-OE2 3.45Å; R814-E829 IonicContact NE-OE1 3.22Å; R814-E829 PolarHBondContact NE-OE1 3.22Å; R814-E829 IonicContact NE-OE2 3.82Å; R814-E829 PolarHBondContact NE-OE2 3.22Å; R814-F850 PolarHBondContact N-O 2.84Å; R814-V851 CarbonylContact O-C 3.37Å; R814-V851 WeakPolarHBondContact O-CA 3.43Å; R814-V852 PolarHBondContact O-N 2.84Å
815	D	92.9	Very high	92.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.3	178.7	-171.1	-6.6	0	0	0	111.8	M744 D745 V852 K854	M744-D815 PolarHBondContact O-N 2.93Å; D745-D815 HydrophobicContact CB-CB 4.37Å; D815-V852 HydrophobicContact CB-CB 4.45Å; D815-K854 IonicContact OD1-NZ 2.59Å; D815-K854 PolarHBondContact OD1-NZ 3.31Å; D815-K854 VanDerWaalsContact OD1-NZ 3.09Å; D815-K854 IonicContact OD2-NZ 3.39Å; D815-K854 PolarHBondContact OD2-NZ 3.36Å
816	G	80.9	Confident	92.6	Very high	42 Å²	42	32.8 Å²	32.8	43%	0.433	20%	0.199	S	C	.	.	S	Bend	trans	89.8	21.7	172.6	0	0	0	0	0	115.5
817	V	86.8	Confident	92.4	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	22%	0.219	C	C	.	.			trans	-111.2	134	175.9	-179.9	0	0	0	0	110.3	R814 Q821 V825 V851 Q853	R814-V817 HydrophobicContact CG-CG2 3.79Å; V817-Q821 HydrophobicContact CG1-CB 3.56Å; V817-V825 HydrophobicContact CB-CG2 4.46Å; V817-V825 HydrophobicContact CG1-CG2 3.77Å; V817-V825 HydrophobicContact CG2-CG2 4.05Å; V817-V851 HydrophobicContact CB-CG1 3.89Å; V817-V851 HydrophobicContact CG1-CG1 4.36Å; V817-Q853 WeakPolarHBondContact O-CG 3.26Å; V817-Q853 PolarHBondContact O-NE2 3.48Å
818	S	85.6	Confident	92	Very high	61 Å²	61	43.1 Å²	43.1	43%	0.427	25%	0.245	S	C	.	.			trans	-86.6	164.7	177.1	71.5	0	0	0	0	113.1	G820 Q821	S818-G820 PolarHBondContact O-N 3.31Å; S818-G820 VanDerWaalsContact O-N 3.15Å; S818-Q821 VanDerWaalsContact N-OE1 3.14Å; S818-Q821 PolarHBondContact O-N 3.44Å; S818-Q821 PolarHBondContact OG-OE1 3.25Å
819	D	85	Confident	91.8	Very high	89 Å²	89	39.1 Å²	39.1	48%	0.476	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-53.8	-36.6	178.5	-64.3	-27.2	0	0	0	112.9	Q821 L822 Q853	D819-Q821 PolarHBondContact O-N 2.97Å; D819-Q821 VanDerWaalsContact O-N 3.13Å; D819-L822 HydrophobicContact CB-CD1 4.49Å; D819-L822 WeakPolarHBondContact O-CG 3.33Å; D819-L822 PolarHBondContact O-N 3.21Å; D819-Q853 PolarHBondContact OD1-NE2 2.68Å; D819-Q853 PolarHBondContact OD1-OE1 2.88Å
820	G	84.3	Confident	91.7	Very high	71 Å²	71	37.5 Å²	37.5	73%	0.732	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-67.2	-11	179.9	0	0	0	0	0	114.7	S818	S818-G820 PolarHBondContact O-N 3.31Å; S818-G820 VanDerWaalsContact O-N 3.15Å
821	Q	87.3	Confident	91.5	Very high	42 Å²	42	39.6 Å²	39.6	20%	0.196	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-114.9	0.3	-177.1	-68.7	159	-49	0	0	113.3	E783 V817 S818 D819 K823 T824 V825	E783-Q821 PolarHBondContact OE2-NE2 3.26Å; E783-Q821 PolarHBondContact OE2-OE1 2.82Å; V817-Q821 HydrophobicContact CG1-CB 3.56Å; S818-Q821 VanDerWaalsContact N-OE1 3.14Å; S818-Q821 PolarHBondContact O-N 3.44Å; S818-Q821 PolarHBondContact OG-OE1 3.25Å; D819-Q821 PolarHBondContact O-N 2.97Å; D819-Q821 VanDerWaalsContact O-N 3.13Å; Q821-K823 VanDerWaalsContact C-N 3.33Å; Q821-K823 PolarHBondContact O-N 3.47Å; Q821-T824 WeakPolarHBondContact O-CA 3.47Å; Q821-T824 WeakPolarHBondContact O-CB 3.32Å; Q821-T824 PolarHBondContact O-N 2.85Å; Q821-V825 PolarHBondContact O-N 2.89Å
822	L	92.5	Very high	91.2	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-46.7	178.8	-67.5	173.2	0	0	0	112	D819 T824 V825 A826 V851 W886 V907 V909	D819-L822 HydrophobicContact CB-CD1 4.49Å; D819-L822 WeakPolarHBondContact O-CG 3.33Å; D819-L822 PolarHBondContact O-N 3.21Å; L822-T824 PolarHBondContact O-N 3.38Å; L822-V825 PolarHBondContact O-N 3.47Å; L822-A826 PolarHBondContact O-N 2.86Å; L822-V851 HydrophobicContact CD2-CB 3.79Å; L822-V851 HydrophobicContact CD2-CG1 3.72Å; L822-V851 HydrophobicContact CD2-CG2 3.86Å; L822-W886 HydrophobicContact CB-CZ2 4.29Å; L822-V907 HydrophobicContact CD1-CG1 4.26Å; L822-V907 HydrophobicContact CD2-CB 4.38Å; L822-V907 HydrophobicContact CD2-CG1 4.31Å; L822-V909 HydrophobicContact CD2-CG2 4.38Å
823	K	92.3	Very high	91	Very high	130 Å²	130	41.8 Å²	41.8	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-31.7	175.1	-69.7	-178.1	179.4	175.2	0	112.1	Q821 A826 N827 W886	Q821-K823 VanDerWaalsContact C-N 3.33Å; Q821-K823 PolarHBondContact O-N 3.47Å; K823-A826 PolarHBondContact O-N 2.76Å; K823-N827 VanDerWaalsContact O-CB 3.26Å; K823-N827 WeakPolarHBondContact O-CB 3.38Å; K823-N827 PolarHBondContact O-N 2.8Å; K823-N827 PolarHBondContact O-ND2 2.98Å; K823-W886 HydrophobicContact CG-CZ2 4.23Å
824	T	90.5	Very high	90.8	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-41.2	177.8	-44.3	0	0	0	0	111.4	I784 Q821 L822 A826 N827 Y828	I784-T824 HydrophobicContact CD1-CG2 3.22Å; I784-T824 HydrophobicContact CG1-CG2 3.95Å; Q821-T824 WeakPolarHBondContact O-CA 3.47Å; Q821-T824 WeakPolarHBondContact O-CB 3.32Å; Q821-T824 PolarHBondContact O-N 2.85Å; L822-T824 PolarHBondContact O-N 3.38Å; T824-A826 VanDerWaalsContact C-N 3.34Å; T824-A826 PolarHBondContact O-N 3.26Å; T824-N827 PolarHBondContact O-N 3.08Å; T824-Y828 HydrophobicContact CG2-CD2 3.57Å; T824-Y828 HydrophobicContact CG2-CE2 4.09Å; T824-Y828 HydrophobicContact CG2-CG 4.28Å; T824-Y828 VanDerWaalsContact O-CB 3.3Å; T824-Y828 WeakPolarHBondContact O-CB 3.47Å; T824-Y828 WeakPolarHBondContact O-CD2 3.46Å; T824-Y828 PolarHBondContact O-N 3.42Å
825	V	91.6	Very high	90.7	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	29%	0.285	C	S	.	.	I	π-helix	trans	-58.5	-48.8	170.8	174.5	0	0	0	0	110.2	V817 Q821 L822 N827 E829 I830 V851	V817-V825 HydrophobicContact CB-CG2 4.46Å; V817-V825 HydrophobicContact CG1-CG2 3.77Å; V817-V825 HydrophobicContact CG2-CG2 4.05Å; Q821-V825 PolarHBondContact O-N 2.89Å; L822-V825 PolarHBondContact O-N 3.47Å; V825-N827 VanDerWaalsContact C-N 3.34Å; V825-N827 PolarHBondContact O-N 2.86Å; V825-E829 HydrophobicContact CG1-CB 4.28Å; V825-E829 PolarHBondContact O-N 3.33Å; V825-I830 HydrophobicContact CG1-CG1 4.36Å; V825-I830 PolarHBondContact O-N 3.38Å; V825-I830 VanDerWaalsContact O-N 3.09Å; V825-V851 HydrophobicContact CG1-CG2 4.24Å; V825-V851 HydrophobicContact CG2-CG2 4.48Å
826	A	94.1	Very high	90.7	Very high	22 Å²	22	51.1 Å²	51.1	18%	0.182	28%	0.284	C	S	.	.	I	π-helix	trans	-57.2	-44.4	179.5	0	0	0	0	0	113	L822 K823 T824 P831 V909	L822-A826 PolarHBondContact O-N 2.86Å; K823-A826 PolarHBondContact O-N 2.76Å; T824-A826 VanDerWaalsContact C-N 3.34Å; T824-A826 PolarHBondContact O-N 3.26Å; A826-P831 WeakPolarHBondContact O-CD 3.44Å; A826-V909 HydrophobicContact CB-CG1 3.52Å
827	N	93.4	Very high	91.4	Very high	111 Å²	111	50 Å²	50	59%	0.594	27%	0.268	S	S	*	.	I	π-helix	trans	-93.3	-17.2	-170.9	-64.2	-18.2	0	0	0	114	K823 T824 V825	K823-N827 VanDerWaalsContact O-CB 3.26Å; K823-N827 WeakPolarHBondContact O-CB 3.38Å; K823-N827 PolarHBondContact O-N 2.8Å; K823-N827 PolarHBondContact O-ND2 2.98Å; T824-N827 PolarHBondContact O-N 3.08Å; V825-N827 VanDerWaalsContact C-N 3.34Å; V825-N827 PolarHBondContact O-N 2.86Å
828	Y	90.2	Very high	91.7	Very high	142 Å²	142	57.1 Å²	57.1	56%	0.557	30%	0.301	S	S	*	.	I	π-helix	trans	-123.2	-47	-175.3	-65.2	-93.7	0	0	0	113.9	T824 Q832	T824-Y828 HydrophobicContact CG2-CD2 3.57Å; T824-Y828 HydrophobicContact CG2-CE2 4.09Å; T824-Y828 HydrophobicContact CG2-CG 4.28Å; T824-Y828 VanDerWaalsContact O-CB 3.3Å; T824-Y828 WeakPolarHBondContact O-CB 3.47Å; T824-Y828 WeakPolarHBondContact O-CD2 3.46Å; T824-Y828 PolarHBondContact O-N 3.42Å; Y828-Q832 VanDerWaalsContact O-CG 3.25Å; Y828-Q832 WeakPolarHBondContact O-CG 3.24Å; Y828-Q832 PolarHBondContact O-NE2 2.86Å
829	E	92.4	Very high	92	Very high	5 Å²	5	57 Å²	57	2%	0.023	30%	0.303	C	S	.	.	I	π-helix	trans	-77.2	-44.9	-177.9	-65	-167.7	166	0	0	111.8	I784 V785 L788 R814 V825 Q832 L833	I784-E829 WeakPolarHBondContact CA-OE1 3.36Å; I784-E829 HydrophobicContact CG2-CG 3.91Å; V785-E829 PolarHBondContact N-OE1 3.44Å; V785-E829 VanDerWaalsContact N-OE1 3.11Å; L788-E829 HydrophobicContact CD1-CB 4.11Å; L788-E829 HydrophobicContact CD1-CG 4.47Å; R814-E829 WeakPolarHBondContact CD-OE2 3.45Å; R814-E829 IonicContact NE-OE1 3.22Å; R814-E829 PolarHBondContact NE-OE1 3.22Å; R814-E829 IonicContact NE-OE2 3.82Å; R814-E829 PolarHBondContact NE-OE2 3.22Å; V825-E829 HydrophobicContact CG1-CB 4.28Å; V825-E829 PolarHBondContact O-N 3.33Å; E829-Q832 WeakPolarHBondContact O-CB 3.39Å; E829-Q832 PolarHBondContact O-N 3.04Å; E829-L833 PolarHBondContact O-N 3.11Å; E829-L833 VanDerWaalsContact O-N 3.1Å
830	I	94.9	Very high	92.4	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-46.9	-177.3	-62.7	-175	0	0	0	112.1	V825 Q832 L833 Q834 V849 V909 L910	V825-I830 HydrophobicContact CG1-CG1 4.36Å; V825-I830 PolarHBondContact O-N 3.38Å; V825-I830 VanDerWaalsContact O-N 3.09Å; I830-Q832 VanDerWaalsContact C-N 3.26Å; I830-Q832 PolarHBondContact O-N 3.13Å; I830-L833 WeakPolarHBondContact O-CB 3.21Å; I830-L833 PolarHBondContact O-N 2.81Å; I830-L833 VanDerWaalsContact O-N 3.1Å; I830-Q834 HydrophobicContact CG2-CG 4.42Å; I830-Q834 WeakPolarHBondContact O-CG 3.43Å; I830-Q834 PolarHBondContact O-N 3.37Å; I830-V849 HydrophobicContact CD1-CB 3.87Å; I830-V849 HydrophobicContact CD1-CG1 4.01Å; I830-V849 HydrophobicContact CD1-CG2 3.93Å; I830-V849 HydrophobicContact CG1-CB 4.39Å; I830-V849 HydrophobicContact CG1-CG1 4.23Å; I830-V849 HydrophobicContact CG1-CG2 4.08Å; I830-V909 HydrophobicContact CD1-CB 4.24Å; I830-V909 HydrophobicContact CD1-CG1 3.98Å; I830-L910 HydrophobicContact CD1-CB 3.76Å; I830-L910 HydrophobicContact CG2-CD2 3.6Å
831	P	94.6	Very high	92.8	Very high	43 Å²	43	60 Å²	60	28%	0.279	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-32.6	176.6	-26.5	37.9	0	0	0	113.2	A826 Q834 K835	A826-P831 WeakPolarHBondContact O-CD 3.44Å; P831-Q834 PolarHBondContact O-N 3.36Å; P831-K835 WeakPolarHBondContact O-CB 3.45Å; P831-K835 VanDerWaalsContact O-CG 3.27Å; P831-K835 WeakPolarHBondContact O-CG 3.37Å; P831-K835 PolarHBondContact O-N 3.06Å
832	Q	92.1	Very high	93	Very high	48 Å²	48	66.1 Å²	66.1	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-41	174	-73.3	178.5	69.9	0	0	111.9	V785 D786 Y828 E829 I830 C836	V785-Q832 PolarHBondContact O-NE2 3.14Å; V785-Q832 VanDerWaalsContact O-NE2 3.08Å; V785-Q832 PolarHBondContact O-OE1 3.23Å; D786-Q832 PolarHBondContact O-OE1 3.11Å; Y828-Q832 VanDerWaalsContact O-CG 3.25Å; Y828-Q832 WeakPolarHBondContact O-CG 3.24Å; Y828-Q832 PolarHBondContact O-NE2 2.86Å; E829-Q832 WeakPolarHBondContact O-CB 3.39Å; E829-Q832 PolarHBondContact O-N 3.04Å; I830-Q832 VanDerWaalsContact C-N 3.26Å; I830-Q832 PolarHBondContact O-N 3.13Å; Q832-C836 PolarHBondContact O-SG 3.24Å
833	L	94.5	Very high	93.2	Very high	3 Å²	3	67 Å²	67	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-44.1	174.8	-66.3	169	0	0	0	111.2	L788 L792 V812 E829 I830 K835 C836 M847	L788-L833 HydrophobicContact CB-CD2 3.93Å; L788-L833 HydrophobicContact CD1-CD2 3.95Å; L788-L833 HydrophobicContact CD1-CG 3.94Å; L788-L833 HydrophobicContact CD2-CD2 4.36Å; L788-L833 HydrophobicContact CG-CD2 4.3Å; L792-L833 HydrophobicContact CB-CD2 4.38Å; L792-L833 HydrophobicContact CD2-CB 4.04Å; L792-L833 HydrophobicContact CD2-CD2 3.75Å; L792-L833 WeakPolarHBondContact CD2-O 3.47Å; V812-L833 HydrophobicContact CG2-CD1 4.35Å; E829-L833 PolarHBondContact O-N 3.11Å; E829-L833 VanDerWaalsContact O-N 3.1Å; I830-L833 WeakPolarHBondContact O-CB 3.21Å; I830-L833 PolarHBondContact O-N 2.81Å; I830-L833 VanDerWaalsContact O-N 3.1Å; L833-K835 PolarHBondContact O-N 3.4Å; L833-C836 WeakPolarHBondContact O-CB 3.32Å; L833-C836 PolarHBondContact O-N 3.26Å; L833-C836 PolarHBondContact O-SG 2.98Å; L833-M847 HydrophobicContact CB-CE 3.83Å; L833-M847 HydrophobicContact CB-SD 4.29Å; L833-M847 HydrophobicContact CD1-CE 4.41Å
834	Q	95.3	Very high	93.3	Very high	73 Å²	73	69.7 Å²	69.7	34%	0.341	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-40.2	179	-70.3	174.6	-44.2	0	0	112.4	I830 P831 C836 F837 M847	I830-Q834 HydrophobicContact CG2-CG 4.42Å; I830-Q834 WeakPolarHBondContact O-CG 3.43Å; I830-Q834 PolarHBondContact O-N 3.37Å; P831-Q834 PolarHBondContact O-N 3.36Å; Q834-C836 PolarHBondContact O-N 3.47Å; Q834-C836 VanDerWaalsContact O-N 3.08Å; Q834-F837 HydrophobicContact CB-CD2 4.42Å; Q834-F837 HydrophobicContact CB-CE2 4.33Å; Q834-F837 HydrophobicContact CG-CE2 4.16Å; Q834-F837 WeakPolarHBondContact O-CB 3.28Å; Q834-F837 VanDerWaalsContact O-CD2 3.24Å; Q834-F837 WeakPolarHBondContact O-CD2 3.45Å; Q834-F837 VanDerWaalsContact O-CG 3.27Å; Q834-F837 WeakPolarHBondContact O-CG 3.46Å; Q834-F837 PolarHBondContact O-N 2.77Å; Q834-M847 HydrophobicContact CG-SD 4.38Å
835	K	92.9	Very high	93.6	Very high	127 Å²	127	68.6 Å²	68.6	55%	0.552	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.2	173.2	-77.1	177	-179.9	-174.9	0	113.8	P831 L833 F837	P831-K835 WeakPolarHBondContact O-CB 3.45Å; P831-K835 VanDerWaalsContact O-CG 3.27Å; P831-K835 WeakPolarHBondContact O-CG 3.37Å; P831-K835 PolarHBondContact O-N 3.06Å; L833-K835 PolarHBondContact O-N 3.4Å; K835-F837 PolarHBondContact O-N 2.82Å
836	C	93.3	Very high	93.9	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.3	175.9	-57.5	0	0	0	0	112.4	K789 L792 V793 Q832 L833 Q834 E838 A839	K789-C836 VanDerWaalsContact CA-SG 3.51Å; L792-C836 HydrophobicContact CB-CB 4.25Å; L792-C836 HydrophobicContact CD2-CB 3.67Å; L792-C836 HydrophobicContact CG-CB 3.98Å; V793-C836 HydrophobicContact CG2-CB 3.99Å; Q832-C836 PolarHBondContact O-SG 3.24Å; L833-C836 WeakPolarHBondContact O-CB 3.32Å; L833-C836 PolarHBondContact O-N 3.26Å; L833-C836 PolarHBondContact O-SG 2.98Å; Q834-C836 PolarHBondContact O-N 3.47Å; Q834-C836 VanDerWaalsContact O-N 3.08Å; C836-E838 VanDerWaalsContact C-N 3.31Å; C836-A839 VanDerWaalsContact O-CB 3.31Å; C836-A839 WeakPolarHBondContact O-CB 3.48Å; C836-A839 PolarHBondContact O-N 2.93Å
837	F	95.4	Very high	94.1	Very high	19 Å²	19	72.5 Å²	72.5	8%	0.083	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.7	-30.3	-178.5	-53.3	-29.1	0	0	0	112.2	L792 L796 I810 Q834 K835 A839 F840 Y843 P845 M847	L792-F837 HydrophobicContact CD2-CE1 4.02Å; L796-F837 HydrophobicContact CD1-CD1 4.27Å; I810-F837 HydrophobicContact CD1-CE1 3.54Å; I810-F837 HydrophobicContact CD1-CZ 3.84Å; Q834-F837 HydrophobicContact CB-CD2 4.42Å; Q834-F837 HydrophobicContact CB-CE2 4.33Å; Q834-F837 HydrophobicContact CG-CE2 4.16Å; Q834-F837 WeakPolarHBondContact O-CB 3.28Å; Q834-F837 VanDerWaalsContact O-CD2 3.24Å; Q834-F837 WeakPolarHBondContact O-CD2 3.45Å; Q834-F837 VanDerWaalsContact O-CG 3.27Å; Q834-F837 WeakPolarHBondContact O-CG 3.46Å; Q834-F837 PolarHBondContact O-N 2.77Å; K835-F837 PolarHBondContact O-N 2.82Å; F837-A839 PolarHBondContact O-N 3.02Å; F837-F840 PolarHBondContact O-N 2.8Å; F837-Y843 HydrophobicContact CB-CD1 3.87Å; F837-Y843 HydrophobicContact CB-CE1 4.3Å; F837-Y843 HydrophobicContact CD1-CD1 4.15Å; F837-Y843 AromaticContact CD1-CE1 3.69Å; F837-Y843 HydrophobicContact CD1-CE1 3.69Å; F837-Y843 HydrophobicContact CE1-CE1 4.33Å; F837-Y843 HydrophobicContact CG-CD1 4.25Å; F837-Y843 HydrophobicContact CG-CE1 4.19Å; F837-P845 HydrophobicContact CD1-CG 3.82Å; F837-P845 HydrophobicContact CD2-CG 3.8Å; F837-P845 HydrophobicContact CE1-CG 3.6Å; F837-P845 HydrophobicContact CE2-CG 3.56Å; F837-P845 HydrophobicContact CG-CG 3.91Å; F837-P845 HydrophobicContact CZ-CG 3.43Å; F837-P845 VanDerWaalsContact CZ-CG 3.43Å; F837-M847 HydrophobicContact CE1-CE 4.2Å; F837-M847 HydrophobicContact CE2-CE 4.28Å; F837-M847 HydrophobicContact CZ-CE 3.43Å; F837-M847 VanDerWaalsContact CZ-CE 3.43Å; F837-M847 HydrophobicContact CZ-SD 4.48Å
838	E	93.9	Very high	94.3	Very high	159 Å²	159	67.2 Å²	67.2	74%	0.743	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.8	-14.9	174.6	-61.7	170	-165.3	0	0	113.1	C836 F840	C836-E838 VanDerWaalsContact C-N 3.31Å; E838-F840 PolarHBondContact O-N 3.01Å
839	A	91.9	Very high	94.7	Very high	57 Å²	57	60.6 Å²	60.6	47%	0.471	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-72.5	-6.7	172.9	0	0	0	0	0	113.5	V793 C836 F837	V793-A839 HydrophobicContact CG1-CB 4.48Å; V793-A839 HydrophobicContact CG2-CB 4.1Å; C836-A839 VanDerWaalsContact O-CB 3.31Å; C836-A839 WeakPolarHBondContact O-CB 3.48Å; C836-A839 PolarHBondContact O-N 2.93Å; F837-A839 PolarHBondContact O-N 3.02Å
840	F	94	Very high	95	Very high	37 Å²	37	60.3 Å²	60.3	16%	0.162	30%	0.297	C	S	.	.	S	Bend	trans	-128.5	136.5	-178.8	-57.2	-91.9	0	0	0	109.7	V793 L796 K797 L806 F837 E838 N842 Y843	V793-F840 HydrophobicContact CG1-CE2 4.36Å; V793-F840 HydrophobicContact CG1-CZ 4.27Å; L796-F840 HydrophobicContact CB-CE1 4.37Å; L796-F840 HydrophobicContact CB-CE2 3.71Å; L796-F840 HydrophobicContact CB-CZ 3.51Å; L796-F840 HydrophobicContact CD1-CD2 4.16Å; L796-F840 HydrophobicContact CD1-CE2 3.58Å; L796-F840 HydrophobicContact CD1-CZ 4.29Å; L796-F840 HydrophobicContact CG-CE2 4.3Å; K797-F840 HydrophobicContact CG-CE1 4.04Å; K797-F840 HydrophobicContact CG-CZ 3.95Å; L806-F840 HydrophobicContact CD1-CB 3.94Å; L806-F840 HydrophobicContact CD1-CD1 3.92Å; L806-F840 HydrophobicContact CD1-CG 4.02Å; L806-F840 HydrophobicContact CD2-CD1 4.14Å; L806-F840 HydrophobicContact CD2-CE1 4.13Å; F837-F840 PolarHBondContact O-N 2.8Å; E838-F840 PolarHBondContact O-N 3.01Å; F840-N842 PolarHBondContact O-N 2.89Å; F840-Y843 HydrophobicContact CB-CD1 4.09Å; F840-Y843 HydrophobicContact CB-CG 4.2Å; F840-Y843 HydrophobicContact CD2-CD1 4.23Å; F840-Y843 HydrophobicContact CG-CD1 4.43Å
841	E	91.8	Very high	95.1	Very high	186 Å²	186	60 Å²	60	87%	0.869	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	133.4	-177	-67.2	-178.9	-179.5	0	0	111.8	Y843	E841-Y843 PolarHBondContact O-N 3.33Å
842	N	91.4	Very high	95.3	Very high	171 Å²	171	58 Å²	58	91%	0.914	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	29.8	176.2	-60.1	-38	0	0	0	114.8	F840	F840-N842 PolarHBondContact O-N 2.89Å
843	Y	96.5	Very high	95.4	Very high	27 Å²	27	56.6 Å²	56.6	11%	0.106	28%	0.276	C	S	.	.			trans	-101	113.4	-174.7	-178.6	-123.5	0	0	0	112.4	L796 L806 P807 F837 F840 E841 P845	L796-Y843 HydrophobicContact CD1-CE1 3.97Å; L796-Y843 HydrophobicContact CD2-CE1 4.16Å; L796-Y843 WeakPolarHBondContact CD2-OH 3.45Å; L806-Y843 HydrophobicContact CB-CD2 3.96Å; L806-Y843 HydrophobicContact CB-CE2 3.53Å; L806-Y843 HydrophobicContact CD1-CD1 4.27Å; L806-Y843 HydrophobicContact CD1-CD2 3.73Å; L806-Y843 HydrophobicContact CD1-CE2 4.07Å; L806-Y843 HydrophobicContact CD1-CG 3.84Å; L806-Y843 HydrophobicContact CG-CD2 4.49Å; L806-Y843 HydrophobicContact CG-CE2 4.38Å; P807-Y843 WeakPolarHBondContact CD-OH 3.36Å; P807-Y843 WeakPolarHBondContact CG-OH 3.27Å; P807-Y843 WeakPolarHBondContact O-CE2 3.5Å; P807-Y843 PolarHBondContact O-OH 3.13Å; F837-Y843 HydrophobicContact CB-CD1 3.87Å; F837-Y843 HydrophobicContact CB-CE1 4.3Å; F837-Y843 HydrophobicContact CD1-CD1 4.15Å; F837-Y843 AromaticContact CD1-CE1 3.69Å; F837-Y843 HydrophobicContact CD1-CE1 3.69Å; F837-Y843 HydrophobicContact CE1-CE1 4.33Å; F837-Y843 HydrophobicContact CG-CD1 4.25Å; F837-Y843 HydrophobicContact CG-CE1 4.19Å; F840-Y843 HydrophobicContact CB-CD1 4.09Å; F840-Y843 HydrophobicContact CB-CG 4.2Å; F840-Y843 HydrophobicContact CD2-CD1 4.23Å; F840-Y843 HydrophobicContact CG-CD1 4.43Å; E841-Y843 PolarHBondContact O-N 3.33Å; Y843-P845 HydrophobicContact CD1-CG 4.33Å; Y843-P845 HydrophobicContact CE1-CB 4.37Å; Y843-P845 HydrophobicContact CE1-CG 3.63Å; Y843-P845 HydrophobicContact CE2-CB 3.83Å; Y843-P845 HydrophobicContact CE2-CG 3.95Å; Y843-P845 VanDerWaalsContact CZ-CG 3.41Å; Y843-P845 WeakPolarHBondContact OH-CB 3.15Å; Y843-P845 WeakPolarHBondContact OH-CG 3.5Å
844	Q	94.5	Very high	95.2	Very high	187 Å²	187	58.9 Å²	58.9	87%	0.874	29%	0.286	S	S	*	.			trans	-134.6	75.9	178.7	-66.4	-174.2	-11.5	0	0	110.7
845	P	97.1	Very high	94.9	Very high	15 Å²	15	64.3 Å²	64.3	10%	0.097	31%	0.308	C	S	.	.			trans	-72.6	155.4	-179.6	34.3	-38.5	0	0	0	111.1	P807 E808 I810 F837 Y843	P807-P845 WeakPolarHBondContact O-CB 3.5Å; E808-P845 WeakPolarHBondContact O-CA 3.36Å; I810-P845 HydrophobicContact CD1-CB 4.19Å; I810-P845 HydrophobicContact CD1-CG 3.91Å; I810-P845 HydrophobicContact CG1-CB 4.37Å; F837-P845 HydrophobicContact CD1-CG 3.82Å; F837-P845 HydrophobicContact CD2-CG 3.8Å; F837-P845 HydrophobicContact CE1-CG 3.6Å; F837-P845 HydrophobicContact CE2-CG 3.56Å; F837-P845 HydrophobicContact CG-CG 3.91Å; F837-P845 HydrophobicContact CZ-CG 3.43Å; F837-P845 VanDerWaalsContact CZ-CG 3.43Å; Y843-P845 HydrophobicContact CD1-CG 4.33Å; Y843-P845 HydrophobicContact CE1-CB 4.37Å; Y843-P845 HydrophobicContact CE1-CG 3.63Å; Y843-P845 HydrophobicContact CE2-CB 3.83Å; Y843-P845 HydrophobicContact CE2-CG 3.95Å; Y843-P845 VanDerWaalsContact CZ-CG 3.41Å; Y843-P845 WeakPolarHBondContact OH-CB 3.15Å; Y843-P845 WeakPolarHBondContact OH-CG 3.5Å
846	K	97.9	Very high	94.7	Very high	104 Å²	104	59.7 Å²	59.7	45%	0.452	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.3	169	-58	-173.5	-173.6	-175.9	0	109.4	E808 K809 I810 A913	E808-K846 PolarHBondContact O-N 3.36Å; K809-K846 CarbonylContact C-O 3.57Å; K809-K846 VanDerWaalsContact CA-O 3.27Å; K809-K846 WeakPolarHBondContact CA-O 3.39Å; I810-K846 PolarHBondContact N-O 3.44Å; K846-A913 HydrophobicContact CB-CB 3.81Å; K846-A913 HydrophobicContact CD-CB 4.48Å
847	M	97.9	Very high	94.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.1	-178.7	-178	175.7	-89.7	0	0	112.5	I810 V812 L833 Q834 F837 V849 L910 T912	I810-M847 HydrophobicContact CB-CE 4.45Å; I810-M847 HydrophobicContact CG2-CE 4.12Å; I810-M847 CarbonylContact O-C 3.6Å; I810-M847 VanDerWaalsContact O-CA 3.28Å; I810-M847 WeakPolarHBondContact O-CA 3.35Å; V812-M847 HydrophobicContact CG2-CE 4.36Å; L833-M847 HydrophobicContact CB-CE 3.83Å; L833-M847 HydrophobicContact CB-SD 4.29Å; L833-M847 HydrophobicContact CD1-CE 4.41Å; Q834-M847 HydrophobicContact CG-SD 4.38Å; F837-M847 HydrophobicContact CE1-CE 4.2Å; F837-M847 HydrophobicContact CE2-CE 4.28Å; F837-M847 HydrophobicContact CZ-CE 3.43Å; F837-M847 VanDerWaalsContact CZ-CE 3.43Å; F837-M847 HydrophobicContact CZ-SD 4.48Å; M847-V849 HydrophobicContact CG-CG2 3.82Å; M847-V849 HydrophobicContact SD-CG2 3.91Å; M847-L910 HydrophobicContact CB-CD2 4.11Å; M847-L910 HydrophobicContact CG-CD2 4.01Å; M847-L910 HydrophobicContact SD-CD2 4.16Å; M847-T912 PolarHBondContact N-OG1 3.35Å; M847-T912 PolarHBondContact O-N 3.24Å; M847-T912 PolarHBondContact O-OG1 2.94Å
848	V	98.4	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134	168.7	-170.8	0	0	0	0	109.1	I810 V811 V812 F850 L910 N911 A913 L915	I810-V848 PolarHBondContact O-N 2.98Å; V811-V848 CarbonylContact C-O 3.54Å; V811-V848 WeakPolarHBondContact CA-O 2.76Å; V811-V848 HydrophobicContact CG2-CB 4.18Å; V811-V848 HydrophobicContact CG2-CG2 4.41Å; V812-V848 PolarHBondContact N-O 3.36Å; V848-F850 HydrophobicContact CG1-CD2 4.25Å; V848-F850 HydrophobicContact CG1-CE2 3.57Å; V848-F850 HydrophobicContact CG1-CZ 3.72Å; V848-L910 CarbonylContact C-O 3.59Å; V848-L910 WeakPolarHBondContact CA-O 3.38Å; V848-L910 WeakPolarHBondContact CG1-O 3.33Å; V848-N911 HydrophobicContact CG1-CB 4.4Å; V848-N911 WeakPolarHBondContact CG2-OD1 3.48Å; V848-A913 HydrophobicContact CG2-CB 3.47Å; V848-A913 VanDerWaalsContact CG2-CB 3.47Å; V848-L915 HydrophobicContact CG2-CD1 3.93Å; V848-L915 HydrophobicContact CG2-CG 4.19Å
849	V	98.3	Very high	94.5	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.7	-178.6	-176.2	0	0	0	0	110	V812 I830 M847 V909 L910	V812-V849 HydrophobicContact CB-CG1 4.31Å; V812-V849 HydrophobicContact CB-CG2 4.19Å; V812-V849 HydrophobicContact CG2-CG2 4.33Å; I830-V849 HydrophobicContact CD1-CB 3.87Å; I830-V849 HydrophobicContact CD1-CG1 4.01Å; I830-V849 HydrophobicContact CD1-CG2 3.93Å; I830-V849 HydrophobicContact CG1-CB 4.39Å; I830-V849 HydrophobicContact CG1-CG1 4.23Å; I830-V849 HydrophobicContact CG1-CG2 4.08Å; M847-V849 HydrophobicContact CG-CG2 3.82Å; M847-V849 HydrophobicContact SD-CG2 3.91Å; V849-V909 PolarHBondContact O-N 3.42Å; V849-L910 HydrophobicContact CB-CB 4.2Å; V849-L910 HydrophobicContact CG2-CB 4.19Å; V849-L910 HydrophobicContact CG2-CD2 4.36Å; V849-L910 PolarHBondContact N-O 3.4Å
850	F	98.3	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132	172.7	-63.9	-77.5	0	0	0	110.8	V811 V812 Y813 R814 V848 F889 V907 C908 M920	V811-F850 HydrophobicContact CG1-CD2 3.94Å; V811-F850 HydrophobicContact CG1-CE2 3.81Å; V812-F850 PolarHBondContact O-N 2.97Å; Y813-F850 WeakPolarHBondContact CA-O 3.35Å; Y813-F850 HydrophobicContact CD1-CB 3.66Å; Y813-F850 AromaticContact CD1-CD2 3.91Å; Y813-F850 HydrophobicContact CD1-CD2 3.91Å; Y813-F850 HydrophobicContact CD1-CG 4.05Å; Y813-F850 HydrophobicContact CE1-CB 3.97Å; Y813-F850 AromaticContact CE1-CD2 3.49Å; Y813-F850 HydrophobicContact CE1-CD2 3.49Å; Y813-F850 VanDerWaalsContact CE1-CD2 3.49Å; Y813-F850 HydrophobicContact CE1-CE2 4.18Å; Y813-F850 AromaticContact CE1-CG 3.83Å; Y813-F850 HydrophobicContact CE1-CG 3.83Å; Y813-F850 HydrophobicContact CE2-CD2 4.35Å; Y813-F850 HydrophobicContact CG-CB 4.4Å; Y813-F850 HydrophobicContact CG-CD2 4.49Å; Y813-F850 AromaticContact CZ-CD2 3.74Å; R814-F850 PolarHBondContact N-O 2.84Å; V848-F850 HydrophobicContact CG1-CD2 4.25Å; V848-F850 HydrophobicContact CG1-CE2 3.57Å; V848-F850 HydrophobicContact CG1-CZ 3.72Å; F850-F889 HydrophobicContact CE1-CE1 4.08Å; F850-V907 CarbonylContact C-O 3.57Å; F850-V907 WeakPolarHBondContact CA-O 3.47Å; F850-C908 HydrophobicContact CD1-CB 3.96Å; F850-C908 HydrophobicContact CE1-CB 3.76Å; F850-M920 HydrophobicContact CE1-CB 4.1Å; F850-M920 HydrophobicContact CE1-CG 4.28Å; F850-M920 HydrophobicContact CE1-SD 3.83Å; F850-M920 HydrophobicContact CZ-CB 3.68Å; F850-M920 HydrophobicContact CZ-CG 3.67Å; F850-M920 HydrophobicContact CZ-SD 3.66Å
851	V	97.6	Very high	94.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127	160.5	171	0	0	0	0	108.6	R814 V817 L822 V825 Q853 Y906 V907 V909	R814-V851 CarbonylContact O-C 3.37Å; R814-V851 WeakPolarHBondContact O-CA 3.43Å; V817-V851 HydrophobicContact CB-CG1 3.89Å; V817-V851 HydrophobicContact CG1-CG1 4.36Å; L822-V851 HydrophobicContact CD2-CB 3.79Å; L822-V851 HydrophobicContact CD2-CG1 3.72Å; L822-V851 HydrophobicContact CD2-CG2 3.86Å; V825-V851 HydrophobicContact CG1-CG2 4.24Å; V825-V851 HydrophobicContact CG2-CG2 4.48Å; V851-Q853 HydrophobicContact CG1-CG 4.21Å; V851-Y906 WeakPolarHBondContact O-CA 3.48Å; V851-V907 HydrophobicContact CB-CB 4.45Å; V851-V907 PolarHBondContact N-O 2.95Å; V851-V907 PolarHBondContact O-N 3Å; V851-V909 HydrophobicContact CB-CG2 4.27Å; V851-V909 HydrophobicContact CG2-CG2 3.65Å
852	V	97.6	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.3	-176.1	-174.5	0	0	0	0	109.6	Y813 R814 D815 T904 Y906 V940	Y813-V852 HydrophobicContact CD1-CG2 3.8Å; Y813-V852 HydrophobicContact CG-CG2 4.4Å; R814-V852 PolarHBondContact O-N 2.84Å; D815-V852 HydrophobicContact CB-CB 4.45Å; V852-T904 HydrophobicContact CG1-CG2 3.57Å; V852-Y906 HydrophobicContact CB-CD1 4.48Å; V852-Y906 HydrophobicContact CB-CE1 4.38Å; V852-Y906 HydrophobicContact CG1-CD1 4.26Å; V852-Y906 HydrophobicContact CG1-CE1 3.77Å; V852-Y906 HydrophobicContact CG2-CD1 3.88Å; V852-Y906 HydrophobicContact CG2-CE1 3.86Å; V852-V940 HydrophobicContact CG1-CB 4.48Å; V852-V940 HydrophobicContact CG1-CG1 4.02Å
853	Q	94.9	Very high	94.6	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	103.9	-179.1	-67.2	178.1	-11.7	0	0	110.6	V817 D819 V851 I856 H905	V817-Q853 WeakPolarHBondContact O-CG 3.26Å; V817-Q853 PolarHBondContact O-NE2 3.48Å; D819-Q853 PolarHBondContact OD1-NE2 2.68Å; D819-Q853 PolarHBondContact OD1-OE1 2.88Å; V851-Q853 HydrophobicContact CG1-CG 4.21Å; Q853-I856 HydrophobicContact CB-CG2 4.16Å; Q853-H905 HydrophobicContact CB-CB 4.09Å; Q853-H905 PolarHBondContact N-O 2.65Å; Q853-H905 PolarHBondContact O-N 3.1Å; Q853-H905 PolarHBondContact OE1-ND1 3.04Å
854	K	91.4	Very high	93.8	Very high	50 Å²	50	35.8 Å²	35.8	22%	0.217	18%	0.181	C	C	.	.			trans	-94.8	-13.8	179.1	70.8	-163.2	175.5	-146.8	0	114.3	D815 R939 V940	D815-K854 IonicContact OD1-NZ 2.59Å; D815-K854 PolarHBondContact OD1-NZ 3.31Å; D815-K854 VanDerWaalsContact OD1-NZ 3.09Å; D815-K854 IonicContact OD2-NZ 3.39Å; D815-K854 PolarHBondContact OD2-NZ 3.36Å; K854-R939 PolarHBondContact O-NH1 3.31Å; K854-R939 PolarHBondContact O-NH2 3.36Å; K854-V940 HydrophobicContact CB-CG1 4.28Å; K854-V940 HydrophobicContact CD-CG1 4.42Å
855	K	87.3	Confident	92.8	Very high	187 Å²	187	33.6 Å²	33.6	81%	0.813	18%	0.183	S	C	*	.			trans	-104.2	74.5	-179.9	-68.1	-178.3	-179	175	0	109.5
856	I	90	Very high	91.5	Very high	30 Å²	30	41.5 Å²	41.5	15%	0.154	22%	0.219	C	C	.	.			trans	-119.1	158.3	-179	62.7	171.4	0	0	0	110.5	Q853 Y890 I902 P903 H905	Q853-I856 HydrophobicContact CB-CG2 4.16Å; I856-Y890 HydrophobicContact CD1-CD1 3.74Å; I856-Y890 HydrophobicContact CD1-CE1 3.63Å; I856-I902 HydrophobicContact CG1-CG2 4.06Å; I856-P903 HydrophobicContact CD1-CG 3.91Å; I856-P903 WeakPolarHBondContact CD1-O 3.4Å; I856-H905 HydrophobicContact CD1-CB 4.24Å; I856-H905 HydrophobicContact CG2-CB 4.13Å
857	S	89.8	Confident	90.7	Very high	46 Å²	46	40.8 Å²	40.8	32%	0.322	22%	0.217	S	C	.	.			trans	-97.9	-1.1	178.2	-59.8	0	0	0	0	113.6	N229	N229-S857 PolarHBondContact ND2-O 3.28Å
858	T	93.4	Very high	90.4	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.049	22%	0.22	C	C	.	.			trans	-72.8	128.3	177.1	-48.8	0	0	0	0	110.1	N229 I881 P903	N229-T858 WeakPolarHBondContact OD1-CA 3.43Å; T858-I881 HydrophobicContact CG2-CD1 4.13Å; T858-P903 VanDerWaalsContact O-CD 3.26Å; T858-P903 WeakPolarHBondContact O-CD 3.49Å
859	N	94.3	Very high	90.1	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.032	23%	0.233	C	C	.	.			trans	-112.8	138.7	172.5	-69.9	-73.3	0	0	0	109.6	L228 N229 D379 Y861 C900 I902	L228-N859 WeakPolarHBondContact CA-O 3.44Å; N229-N859 HydrophobicContact CB-CB 4.19Å; N229-N859 PolarHBondContact N-O 2.88Å; N229-N859 PolarHBondContact ND2-ND2 3.27Å; N229-N859 VanDerWaalsContact ND2-ND2 3.2Å; N229-N859 PolarHBondContact OD1-N 3.06Å; D379-N859 PolarHBondContact OD1-ND2 3.01Å; N859-Y861 HydrophobicContact CB-CE1 4.08Å; N859-C900 HydrophobicContact CB-CB 4.3Å; N859-C900 VanDerWaalsContact OD1-CB 3.31Å; N859-C900 WeakPolarHBondContact OD1-CB 3.42Å; N859-I902 WeakPolarHBondContact OD1-CG1 3.14Å
860	L	94.4	Very high	89.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138	172.2	-56	-175.8	0	0	0	109.9	L228 P871 T875 V877 L892 G901 P903	L228-L860 HydrophobicContact CD2-CD2 3.18Å; L860-P871 HydrophobicContact CB-CG 3.7Å; L860-P871 VanDerWaalsContact O-CD 3.26Å; L860-P871 WeakPolarHBondContact O-CD 3.2Å; L860-P871 WeakPolarHBondContact O-CG 3.03Å; L860-T875 HydrophobicContact CD1-CG2 4.15Å; L860-V877 HydrophobicContact CD1-CG2 4.31Å; L860-V877 HydrophobicContact CD2-CG2 4.13Å; L860-L892 HydrophobicContact CD1-CB 4.42Å; L860-G901 PolarHBondContact N-O 3.44Å; L860-P903 HydrophobicContact CD1-CB 3.92Å; L860-P903 HydrophobicContact CD1-CG 3.91Å; L860-P903 HydrophobicContact CD2-CG 4.4Å; L860-P903 HydrophobicContact CG-CB 4.37Å; L860-P903 HydrophobicContact CG-CG 3.83Å
861	Y	93.9	Very high	89.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.1	172	-42.7	-64.2	0	0	0	109.6	L226 G227 N229 P525 H528 N859 F868 C900	L226-Y861 CarbonylContact C-O 3.56Å; L226-Y861 WeakPolarHBondContact CA-O 3.49Å; L226-Y861 WeakPolarHBondContact CB-O 3.33Å; L226-Y861 WeakPolarHBondContact CD2-O 3.13Å; G227-Y861 VanDerWaalsContact C-CD2 3.46Å; G227-Y861 PolarHBondContact N-O 3.44Å; G227-Y861 WeakPolarHBondContact O-CD2 3.26Å; G227-Y861 PolarHBondContact O-N 3.45Å; N229-Y861 HydrophobicContact CB-CE2 4.34Å; N229-Y861 WeakPolarHBondContact CB-OH 3.36Å; P525-Y861 HydrophobicContact CB-CD1 3.82Å; P525-Y861 HydrophobicContact CB-CE1 4.41Å; H528-Y861 PolarHBondContact CE1-OH 2.92Å; H528-Y861 AromaticContact ND1-CZ 3.77Å; H528-Y861 PolarHBondContact ND1-OH 2.93Å; N859-Y861 HydrophobicContact CB-CE1 4.08Å; Y861-F868 HydrophobicContact CD2-CD1 4.35Å; Y861-F868 HydrophobicContact CG-CB 4.31Å; Y861-F868 HydrophobicContact CG-CD1 4.1Å; Y861-F868 HydrophobicContact CG-CG 4.22Å; Y861-C900 HydrophobicContact CE1-CB 4.22Å
862	L	93.3	Very high	89.1	Confident	34 Å²	34	47.9 Å²	47.9	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122	165.6	172.5	55.1	0	0	0	108.6	Q224 S225 A864 F868 V869	Q224-L862 VanDerWaalsContact CD-CD1 3.41Å; Q224-L862 HydrophobicContact CG-CD1 3.32Å; S225-L862 WeakPolarHBondContact O-CD1 3.37Å; L862-A864 PolarHBondContact O-N 2.89Å; L862-F868 WeakPolarHBondContact O-CA 3.42Å; L862-V869 HydrophobicContact CB-CG2 3.72Å; L862-V869 HydrophobicContact CD2-CG2 3.72Å; L862-V869 HydrophobicContact CG-CG2 3.86Å; L862-V869 PolarHBondContact N-O 2.99Å; L862-V869 PolarHBondContact O-N 2.99Å; L862-V869 VanDerWaalsContact O-N 3.11Å
863	A	88.8	Confident	88.9	Confident	27 Å²	27	48.3 Å²	48.3	22%	0.223	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	82.1	177.6	0	0	0	0	0	110.3	S225 F868	S225-A863 PolarHBondContact O-N 3.27Å; A863-F868 HydrophobicContact CB-CD1 4.39Å; A863-F868 HydrophobicContact CB-CE1 3.84Å
864	A	80.9	Confident	88.9	Confident	34 Å²	34	47.3 Å²	47.3	28%	0.281	26%	0.257	S	S	.	.			trans	-79.2	159.8	171.4	0	0	0	0	0	110.6	L862 Q866 H867 V869	L862-A864 PolarHBondContact O-N 2.89Å; A864-Q866 PolarHBondContact O-N 3.44Å; A864-H867 WeakPolarHBondContact CB-O 3.41Å; A864-H867 PolarHBondContact N-O 3Å; A864-H867 PolarHBondContact O-N 3.48Å; A864-V869 HydrophobicContact CB-CG2 4.47Å
865	P	72.8	Confident	89.1	Confident	140 Å²	140	45 Å²	45	91%	0.909	25%	0.247	S	C	*	.	S	Bend	trans	-55.6	-26.5	-169	-29.2	35.6	0	0	0	116.4
866	Q	69.4	Low	89.6	Confident	182 Å²	182	36 Å²	36	85%	0.85	21%	0.208	S	C	*	.	S	Bend	trans	-120.7	-16.7	-174.6	-65.5	177.3	3.4	0	0	114	A864	A864-Q866 PolarHBondContact O-N 3.44Å
867	H	82.5	Confident	90	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.407	20%	0.201	S	C	.	.	S	Bend	trans	-165.3	163.3	-177.2	58.1	-78.3	0	0	0	111.8	A864 V869	A864-H867 WeakPolarHBondContact CB-O 3.41Å; A864-H867 PolarHBondContact N-O 3Å; A864-H867 PolarHBondContact O-N 3.48Å; H867-V869 WeakPolarHBondContact CD2-CG1 3.48Å; H867-V869 WeakPolarHBondContact NE2-CG1 3.46Å
868	F	90.4	Very high	90.3	Very high	17 Å²	17	32.6 Å²	32.6	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132	170.2	-74.9	-65.5	0	0	0	111.4	P525 H529 V560 Y861 L862 A863	P525-F868 HydrophobicContact CB-CB 4.21Å; H529-F868 HydrophobicContact CB-CD2 3.82Å; H529-F868 HydrophobicContact CB-CE2 4.43Å; H529-F868 AromaticContact CD2-CD2 3.8Å; H529-F868 AromaticContact CD2-CE2 3.52Å; H529-F868 AromaticContact CE1-CE2 3.83Å; H529-F868 AromaticContact CG-CD2 3.45Å; H529-F868 VanDerWaalsContact CG-CD2 3.45Å; H529-F868 AromaticContact CG-CE2 3.67Å; H529-F868 AromaticContact ND1-CD2 3.65Å; H529-F868 AromaticContact ND1-CE2 3.86Å; H529-F868 AromaticContact NE2-CE2 3.62Å; V560-F868 HydrophobicContact CG2-CE2 3.74Å; V560-F868 HydrophobicContact CG2-CZ 3.67Å; Y861-F868 HydrophobicContact CD2-CD1 4.35Å; Y861-F868 HydrophobicContact CG-CB 4.31Å; Y861-F868 HydrophobicContact CG-CD1 4.1Å; Y861-F868 HydrophobicContact CG-CG 4.22Å; L862-F868 WeakPolarHBondContact O-CA 3.42Å; A863-F868 HydrophobicContact CB-CD1 4.39Å; A863-F868 HydrophobicContact CB-CE1 3.84Å
869	V	92.3	Very high	90.4	Very high	44 Å²	44	33.9 Å²	33.9	27%	0.267	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	173	172	-59	0	0	0	0	110.5	L862 A864 H867	L862-V869 HydrophobicContact CB-CG2 3.72Å; L862-V869 HydrophobicContact CD2-CG2 3.72Å; L862-V869 HydrophobicContact CG-CG2 3.86Å; L862-V869 PolarHBondContact N-O 2.99Å; L862-V869 PolarHBondContact O-N 2.99Å; L862-V869 VanDerWaalsContact O-N 3.11Å; A864-V869 HydrophobicContact CB-CG2 4.47Å; H867-V869 WeakPolarHBondContact CD2-CG1 3.48Å; H867-V869 WeakPolarHBondContact NE2-CG1 3.46Å
870	T	90.3	Very high	90.2	Very high	44 Å²	44	34.9 Å²	34.9	27%	0.27	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-68.9	132	177	-58.8	0	0	0	0	109.8	V896	T870-V896 HydrophobicContact CG2-CB 3.66Å; T870-V896 HydrophobicContact CG2-CG1 4.17Å; T870-V896 HydrophobicContact CG2-CG2 4.41Å
871	P	91.9	Very high	90.1	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.026	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63.2	154.3	174.1	-16.3	27.3	0	0	0	112.9	L226 L860 T875 L892	L226-P871 HydrophobicContact CD2-CB 4.29Å; L226-P871 HydrophobicContact CD2-CG 4.39Å; L860-P871 HydrophobicContact CB-CG 3.7Å; L860-P871 VanDerWaalsContact O-CD 3.26Å; L860-P871 WeakPolarHBondContact O-CD 3.2Å; L860-P871 WeakPolarHBondContact O-CG 3.03Å; P871-T875 HydrophobicContact CB-CG2 4.32Å; P871-L892 HydrophobicContact CB-CD2 3.86Å; P871-L892 HydrophobicContact CG-CD2 4.19Å
872	T	91.3	Very high	90.1	Very high	45 Å²	45	35.2 Å²	35.2	28%	0.276	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-69.3	142.3	176.2	40.7	0	0	0	0	111	Q224 V567 T875	Q224-T872 PolarHBondContact OE1-OG1 3.46Å; V567-T872 WeakPolarHBondContact CG2-OG1 3.41Å; T872-T875 WeakPolarHBondContact O-CB 3.49Å; T872-T875 PolarHBondContact O-N 3.11Å; T872-T875 PolarHBondContact O-OG1 3.46Å
873	P	93.4	Very high	89.9	Confident	8 Å²	8	35.2 Å²	35.2	5%	0.052	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	144.2	171.4	-28.1	38.7	0	0	0	112.1	L586 L892 H895	L586-P873 HydrophobicContact CD1-CB 3.25Å; L586-P873 HydrophobicContact CD1-CG 4.18Å; L586-P873 HydrophobicContact CG-CB 4.08Å; P873-L892 CarbonylContact C-O 3.58Å; P873-L892 WeakPolarHBondContact CA-O 3.24Å; P873-H895 HydrophobicContact CG-CB 4Å
874	G	94.9	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-1	-170.1	0	0	0	0	0	113.9	L568 V876 L892	L568-G874 PolarHBondContact N-O 2.84Å; G874-V876 PolarHBondContact O-N 3.46Å; G874-L892 PolarHBondContact N-O 3.01Å
875	T	96.8	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.5	174.1	-60.9	0	0	0	0	111	Q224 L226 R566 L860 P871 T872 L891 L892	Q224-T875 PolarHBondContact OE1-OG1 2.93Å; L226-T875 HydrophobicContact CD1-CG2 3.54Å; L226-T875 HydrophobicContact CD2-CG2 4.09Å; L226-T875 HydrophobicContact CG-CG2 4.45Å; R566-T875 CarbonylContact O-C 3.58Å; R566-T875 WeakPolarHBondContact O-CA 3.23Å; L860-T875 HydrophobicContact CD1-CG2 4.15Å; P871-T875 HydrophobicContact CB-CG2 4.32Å; T872-T875 WeakPolarHBondContact O-CB 3.49Å; T872-T875 PolarHBondContact O-N 3.11Å; T872-T875 PolarHBondContact O-OG1 3.46Å; T875-L891 WeakPolarHBondContact O-CA 3.39Å; T875-L892 PolarHBondContact O-N 3.37Å
876	V	97.8	Very high	91.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.6	177.9	175.5	0	0	0	0	110.3	R566 L568 G874 D878 F889 Y890 L891 Q921	R566-V876 PolarHBondContact N-O 2.64Å; R566-V876 PolarHBondContact O-N 2.84Å; L568-V876 HydrophobicContact CD1-CG2 3.69Å; L568-V876 HydrophobicContact CD2-CG2 4.34Å; L568-V876 HydrophobicContact CG-CG2 3.73Å; G874-V876 PolarHBondContact O-N 3.46Å; V876-D878 HydrophobicContact CG1-CB 4.44Å; V876-F889 HydrophobicContact CG1-CB 4.49Å; V876-Y890 CarbonylContact C-O 3.54Å; V876-Y890 VanDerWaalsContact CA-O 3.24Å; V876-Y890 WeakPolarHBondContact CA-O 3.37Å; V876-L891 HydrophobicContact CG2-CB 4.33Å; V876-L891 HydrophobicContact CG2-CD1 3.57Å; V876-Q921 HydrophobicContact CG1-CG 4.17Å
877	V	97.3	Very high	92.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123	169.4	-178.8	0	0	0	0	108.5	L226 I563 L860 I881 F889 Y890	L226-V877 HydrophobicContact CD1-CG2 3.6Å; I563-V877 HydrophobicContact CD1-CB 4.3Å; I563-V877 HydrophobicContact CD1-CG1 3.36Å; I563-V877 HydrophobicContact CD1-CG2 3.91Å; L860-V877 HydrophobicContact CD1-CG2 4.31Å; L860-V877 HydrophobicContact CD2-CG2 4.13Å; V877-I881 HydrophobicContact CB-CD1 4.15Å; V877-I881 HydrophobicContact CG1-CD1 3.61Å; V877-I881 HydrophobicContact CG1-CG1 3.64Å; V877-F889 CarbonylContact O-C 3.31Å; V877-F889 WeakPolarHBondContact O-CA 3.38Å; V877-Y890 PolarHBondContact N-O 2.66Å; V877-Y890 PolarHBondContact O-N 3.2Å
878	D	96.4	Very high	93	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.135	C	C	.	.			trans	-137.3	23.2	-171.9	58.9	-8.4	0	0	0	113	Q217 G218 R566 V876 F889 Q921	Q217-D878 VanDerWaalsContact CA-OD2 3.31Å; Q217-D878 WeakPolarHBondContact CA-OD2 3.48Å; G218-D878 PolarHBondContact N-OD2 3.48Å; R566-D878 IonicContact CZ-OD2 3.74Å; R566-D878 IonicContact NH2-OD1 3.55Å; R566-D878 IonicContact NH2-OD2 3.8Å; R566-D878 PolarHBondContact NH2-OD2 3.28Å; V876-D878 HydrophobicContact CG1-CB 4.44Å; D878-F889 HydrophobicContact CB-CB 3.79Å; D878-Q921 PolarHBondContact OD2-NE2 2.81Å
879	H	94.4	Very high	93.3	Very high	36 Å²	36	23.9 Å²	23.9	17%	0.167	13%	0.133	C	C	.	.	S	Bend	trans	-153.4	171.6	173	65.1	81.3	0	0	0	110.4	Q217 D371 E564 I881 T882	Q217-H879 HydrophobicContact CG-CB 3.94Å; Q217-H879 VanDerWaalsContact NE2-CB 3.31Å; D371-H879 WeakPolarHBondContact OD2-CA 3.49Å; E564-H879 PolarHBondContact O-CE1 3.45Å; E564-H879 PolarHBondContact O-NE2 3.37Å; H879-I881 PolarHBondContact O-N 3.3Å; H879-T882 VanDerWaalsContact CA-OG1 3.26Å; H879-T882 WeakPolarHBondContact CA-OG1 3.41Å
880	T	91.9	Very high	93.6	Very high	27 Å²	27	22.8 Å²	22.8	17%	0.166	12%	0.124	C	C	.	.	S	Bend	trans	66.8	-38.9	176.1	-56.1	0	0	0	0	115.2	T370 D371 G372 F375 I563	T370-T880 WeakPolarHBondContact CB-O 3.34Å; T370-T880 PolarHBondContact OG1-O 2.92Å; D371-T880 VanDerWaalsContact CG-N 3.3Å; D371-T880 WeakPolarHBondContact OD1-CA 3.19Å; D371-T880 PolarHBondContact OD1-N 3.02Å; D371-T880 VanDerWaalsContact OD1-O 3.12Å; D371-T880 PolarHBondContact OD2-N 3.32Å; G372-T880 VanDerWaalsContact CA-O 3.28Å; G372-T880 WeakPolarHBondContact CA-O 3.39Å; G372-T880 PolarHBondContact N-O 3.38Å; F375-T880 HydrophobicContact CE2-CG2 4.4Å; F375-T880 HydrophobicContact CZ-CG2 3.99Å; I563-T880 HydrophobicContact CG2-CG2 3.78Å
881	I	92	Very high	94	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.111	C	C	.	.	S	Bend	trans	-112.2	-0.8	-179.2	65.3	168.4	0	0	0	113.1	L228 L230 T370 D371 T858 V877 H879 Y890	L228-I881 HydrophobicContact CD1-CG2 3.37Å; L228-I881 HydrophobicContact CD2-CD1 4.31Å; L230-I881 HydrophobicContact CD1-CB 4.07Å; L230-I881 HydrophobicContact CD1-CG2 3.31Å; T370-I881 WeakPolarHBondContact CG2-O 3.26Å; D371-I881 PolarHBondContact OD1-N 3.48Å; T858-I881 HydrophobicContact CG2-CD1 4.13Å; V877-I881 HydrophobicContact CB-CD1 4.15Å; V877-I881 HydrophobicContact CG1-CD1 3.61Å; V877-I881 HydrophobicContact CG1-CG1 3.64Å; H879-I881 PolarHBondContact O-N 3.3Å; I881-Y890 HydrophobicContact CB-CE2 4.48Å; I881-Y890 HydrophobicContact CD1-CD2 3.45Å; I881-Y890 VanDerWaalsContact CD1-CD2 3.45Å; I881-Y890 HydrophobicContact CD1-CE2 3.6Å; I881-Y890 HydrophobicContact CD1-CG 4.02Å; I881-Y890 HydrophobicContact CG1-CD2 3.78Å; I881-Y890 HydrophobicContact CG1-CE2 3.68Å
882	T	93.4	Very high	94.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.11	C	C	.	.	S	Bend	trans	-83.4	165.1	-176.7	35.1	0	0	0	0	111	T370 D371 H879 D888 Y890	T370-T882 WeakPolarHBondContact CB-O 3.32Å; D371-T882 VanDerWaalsContact CG-OG1 3.26Å; D371-T882 PolarHBondContact N-O 3.43Å; D371-T882 PolarHBondContact OD1-N 3.04Å; D371-T882 VanDerWaalsContact OD1-N 3.16Å; D371-T882 PolarHBondContact OD1-OG1 3.18Å; D371-T882 PolarHBondContact OD2-OG1 3.37Å; H879-T882 VanDerWaalsContact CA-OG1 3.26Å; H879-T882 WeakPolarHBondContact CA-OG1 3.41Å; T882-D888 WeakPolarHBondContact CA-OD2 3.18Å; T882-D888 WeakPolarHBondContact CB-OD1 3.41Å; T882-D888 WeakPolarHBondContact CB-OD2 3.29Å; T882-D888 WeakPolarHBondContact CG2-O 3.48Å; T882-Y890 HydrophobicContact CG2-CD2 4.42Å; T882-Y890 HydrophobicContact CG2-CE2 4.37Å
883	S	89.7	Confident	94.4	Very high	34 Å²	34	18.3 Å²	18.3	24%	0.238	10%	0.097	C	C	.	.			trans	-58.7	152.8	175.9	-173.7	0	0	0	0	110.7	K216 E885 W886 D888	K216-S883 PolarHBondContact NZ-O 3.41Å; S883-E885 PolarHBondContact OG-N 3.14Å; S883-W886 PolarHBondContact OG-N 3.43Å; S883-D888 WeakPolarHBondContact CB-OD1 3.28Å; S883-D888 WeakPolarHBondContact CB-OD2 3.4Å; S883-D888 VanDerWaalsContact N-CG 3.34Å; S883-D888 PolarHBondContact N-OD1 3.07Å; S883-D888 VanDerWaalsContact N-OD1 3.14Å; S883-D888 PolarHBondContact N-OD2 3.33Å
884	C	87.1	Confident	94.3	Very high	51 Å²	51	18.9 Å²	18.9	35%	0.345	10%	0.099	S	C	.	.	S	Bend	trans	-81.2	-22.4	164.5	-67	0	0	0	0	112
885	E	88.3	Confident	94	Very high	103 Å²	103	22.5 Å²	22.5	48%	0.481	12%	0.115	S	C	.	.	S	Bend	trans	-101.4	-27.1	-167.9	-58.4	-168.8	154	0	0	113.9	I214 S883	I214-E885 WeakPolarHBondContact CD1-O 3.46Å; S883-E885 PolarHBondContact OG-N 3.14Å
886	W	92.3	Very high	93.5	Very high	53 Å²	53	23.1 Å²	23.1	20%	0.201	12%	0.119	C	C	.	.	S	Bend	trans	-116.6	157.3	-172.3	-60	96.2	0	0	0	111.8	K216 L822 K823 S883 D888 V907 V909	K216-W886 WeakPolarHBondContact CD-O 3.36Å; K216-W886 WeakPolarHBondContact CE-O 3.35Å; K216-W886 PolarHBondContact NZ-O 2.93Å; L822-W886 HydrophobicContact CB-CZ2 4.29Å; K823-W886 HydrophobicContact CG-CZ2 4.23Å; S883-W886 PolarHBondContact OG-N 3.43Å; W886-D888 PolarHBondContact O-N 3.08Å; W886-V907 HydrophobicContact CB-CG1 3.6Å; W886-V907 HydrophobicContact CD2-CG1 4.26Å; W886-V907 HydrophobicContact CG-CG1 3.84Å; W886-V909 HydrophobicContact CH2-CG1 4.2Å; W886-V909 HydrophobicContact CZ3-CB 4.38Å; W886-V909 HydrophobicContact CZ3-CG1 3.79Å
887	V	94.5	Very high	92.7	Very high	37 Å²	37	28.7 Å²	28.7	22%	0.224	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.5	164.6	178.6	0	0	0	0	107.6	I214 K216 C908 M920	I214-V887 HydrophobicContact CG2-CB 4.48Å; I214-V887 HydrophobicContact CG2-CG2 3.29Å; K216-V887 HydrophobicContact CG-CG1 4.46Å; V887-C908 HydrophobicContact CB-CB 4.16Å; V887-C908 HydrophobicContact CG1-CB 4.38Å; V887-C908 WeakPolarHBondContact O-CA 3.5Å; V887-C908 VanDerWaalsContact O-CB 3.25Å; V887-C908 WeakPolarHBondContact O-CB 3.19Å; V887-C908 PolarHBondContact O-N 3.15Å; V887-M920 HydrophobicContact CG1-CE 3.8Å
888	D	96.4	Very high	91.9	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.8	-174.4	60.7	-43.6	0	0	0	112.4	T882 S883 W886 H905 Y906 V907	T882-D888 WeakPolarHBondContact CA-OD2 3.18Å; T882-D888 WeakPolarHBondContact CB-OD1 3.41Å; T882-D888 WeakPolarHBondContact CB-OD2 3.29Å; T882-D888 WeakPolarHBondContact CG2-O 3.48Å; S883-D888 WeakPolarHBondContact CB-OD1 3.28Å; S883-D888 WeakPolarHBondContact CB-OD2 3.4Å; S883-D888 VanDerWaalsContact N-CG 3.34Å; S883-D888 PolarHBondContact N-OD1 3.07Å; S883-D888 VanDerWaalsContact N-OD1 3.14Å; S883-D888 PolarHBondContact N-OD2 3.33Å; W886-D888 PolarHBondContact O-N 3.08Å; D888-H905 IonicContact OD2-CE1 2.98Å; D888-H905 IonicContact OD2-NE2 3.31Å; D888-H905 PolarHBondContact OD2-NE2 2.63Å; D888-Y906 CarbonylContact C-O 3.55Å; D888-Y906 WeakPolarHBondContact CA-O 3.26Å; D888-Y906 WeakPolarHBondContact CB-O 3.39Å; D888-V907 HydrophobicContact CB-CB 4.39Å; D888-V907 HydrophobicContact CB-CG1 4.43Å; D888-V907 HydrophobicContact CB-CG2 4.07Å
889	F	97.8	Very high	91.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.9	175.7	63.2	-87.3	0	0	0	111.3	F850 V876 V877 D878 L891 Y906 M920 Q921 T924	F850-F889 HydrophobicContact CE1-CE1 4.08Å; V876-F889 HydrophobicContact CG1-CB 4.49Å; V877-F889 CarbonylContact O-C 3.31Å; V877-F889 WeakPolarHBondContact O-CA 3.38Å; D878-F889 HydrophobicContact CB-CB 3.79Å; F889-L891 HydrophobicContact CD2-CB 4.22Å; F889-L891 HydrophobicContact CE2-CB 4.15Å; F889-Y906 HydrophobicContact CD2-CD2 4.07Å; F889-Y906 AromaticContact CE2-CD2 3.56Å; F889-Y906 HydrophobicContact CE2-CD2 3.56Å; F889-Y906 HydrophobicContact CE2-CE2 4.35Å; F889-Y906 AromaticContact CE2-CG 3.86Å; F889-Y906 HydrophobicContact CE2-CG 3.86Å; F889-Y906 HydrophobicContact CZ-CD2 4.07Å; F889-Y906 AromaticContact CZ-CG 3.87Å; F889-Y906 HydrophobicContact CZ-CG 3.87Å; F889-Y906 PolarHBondContact N-O 3.29Å; F889-Y906 PolarHBondContact O-N 3.34Å; F889-M920 HydrophobicContact CE1-CB 4.39Å; F889-Q921 HydrophobicContact CB-CG 4.48Å; F889-Q921 HydrophobicContact CD1-CG 4Å; F889-Q921 HydrophobicContact CD2-CG 3.85Å; F889-Q921 HydrophobicContact CE1-CG 4.15Å; F889-Q921 HydrophobicContact CE2-CB 4.46Å; F889-Q921 HydrophobicContact CE2-CG 4.02Å; F889-Q921 HydrophobicContact CG-CG 3.85Å; F889-Q921 HydrophobicContact CZ-CG 4.17Å; F889-T924 HydrophobicContact CE2-CG2 4.43Å; F889-T924 HydrophobicContact CZ-CG2 4.35Å
890	Y	97.9	Very high	91.2	Very high	21 Å²	21	34 Å²	34	8%	0.082	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.5	171.6	-66	-94.1	0	0	0	109.3	I856 V876 V877 I881 T882 P903 T904 H905	I856-Y890 HydrophobicContact CD1-CD1 3.74Å; I856-Y890 HydrophobicContact CD1-CE1 3.63Å; V876-Y890 CarbonylContact C-O 3.54Å; V876-Y890 VanDerWaalsContact CA-O 3.24Å; V876-Y890 WeakPolarHBondContact CA-O 3.37Å; V877-Y890 PolarHBondContact N-O 2.66Å; V877-Y890 PolarHBondContact O-N 3.2Å; I881-Y890 HydrophobicContact CB-CE2 4.48Å; I881-Y890 HydrophobicContact CD1-CD2 3.45Å; I881-Y890 VanDerWaalsContact CD1-CD2 3.45Å; I881-Y890 HydrophobicContact CD1-CE2 3.6Å; I881-Y890 HydrophobicContact CD1-CG 4.02Å; I881-Y890 HydrophobicContact CG1-CD2 3.78Å; I881-Y890 HydrophobicContact CG1-CE2 3.68Å; T882-Y890 HydrophobicContact CG2-CD2 4.42Å; T882-Y890 HydrophobicContact CG2-CE2 4.37Å; Y890-P903 HydrophobicContact CD1-CB 4.44Å; Y890-P903 HydrophobicContact CD1-CG 3.86Å; Y890-P903 HydrophobicContact CG-CG 4.4Å; Y890-T904 WeakPolarHBondContact CA-O 3.43Å; Y890-H905 HydrophobicContact CD1-CB 3.74Å; Y890-H905 AromaticContact CD1-CD2 3.98Å; Y890-H905 AromaticContact CD2-CD2 3.98Å; Y890-H905 HydrophobicContact CE1-CB 3.51Å; Y890-H905 AromaticContact CE1-CD2 3.63Å; Y890-H905 AromaticContact CE1-CG 3.61Å; Y890-H905 AromaticContact CE2-CD2 3.61Å; Y890-H905 AromaticContact CE2-NE2 3.96Å; Y890-H905 AromaticContact CZ-CD2 3.42Å; Y890-H905 VanDerWaalsContact CZ-CD2 3.42Å; Y890-H905 AromaticContact CZ-CG 3.76Å; Y890-H905 AromaticContact CZ-NE2 3.86Å
891	L	97.9	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.4	176.1	166.2	69.9	0	0	0	110.4	L568 T875 V876 F889 A893 T904 Y906 T924 F925	L568-L891 HydrophobicContact CD1-CD1 4.26Å; T875-L891 WeakPolarHBondContact O-CA 3.39Å; V876-L891 HydrophobicContact CG2-CB 4.33Å; V876-L891 HydrophobicContact CG2-CD1 3.57Å; F889-L891 HydrophobicContact CD2-CB 4.22Å; F889-L891 HydrophobicContact CE2-CB 4.15Å; L891-A893 HydrophobicContact CD2-CB 4.13Å; L891-A893 HydrophobicContact CG-CB 4.05Å; L891-A893 PolarHBondContact O-N 3.07Å; L891-T904 PolarHBondContact N-O 2.91Å; L891-T904 PolarHBondContact O-N 2.84Å; L891-Y906 HydrophobicContact CB-CD2 4.24Å; L891-Y906 HydrophobicContact CB-CE2 3.86Å; L891-Y906 HydrophobicContact CD2-CE2 4.26Å; L891-T924 HydrophobicContact CD2-CG2 3.93Å; L891-F925 HydrophobicContact CD1-CD2 4.14Å; L891-F925 HydrophobicContact CD2-CB 4.02Å; L891-F925 HydrophobicContact CD2-CD2 4.36Å
892	L	96.8	Very high	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	83.7	168.2	-174.4	70.1	0	0	0	109.1	L860 P871 P873 G874 T875 H894 V896 I902 P903	L860-L892 HydrophobicContact CD1-CB 4.42Å; P871-L892 HydrophobicContact CB-CD2 3.86Å; P871-L892 HydrophobicContact CG-CD2 4.19Å; P873-L892 CarbonylContact C-O 3.58Å; P873-L892 WeakPolarHBondContact CA-O 3.24Å; G874-L892 PolarHBondContact N-O 3.01Å; T875-L892 PolarHBondContact O-N 3.37Å; L892-H894 VanDerWaalsContact C-N 3.33Å; L892-H894 PolarHBondContact O-N 3.29Å; L892-V896 HydrophobicContact CD1-CG2 4.12Å; L892-I902 WeakPolarHBondContact CD1-O 3.16Å; L892-P903 HydrophobicContact CB-CB 4.41Å
893	A	95.5	Very high	91.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.			trans	-77.8	-11.1	-173.5	0	0	0	0	0	115.2	L891 F925 C928 T937	L891-A893 HydrophobicContact CD2-CB 4.13Å; L891-A893 HydrophobicContact CG-CB 4.05Å; L891-A893 PolarHBondContact O-N 3.07Å; A893-F925 HydrophobicContact CB-CD2 4.1Å; A893-F925 HydrophobicContact CB-CE2 4.36Å; A893-C928 HydrophobicContact CB-CB 3.87Å; A893-T937 WeakPolarHBondContact O-CB 3.42Å; A893-T937 PolarHBondContact O-OG1 3.11Å
894	H	91.9	Very high	91.7	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.093	16%	0.158	C	C	.	.	S	Bend	trans	-131.1	154.2	-166.6	68.4	-68.4	0	0	0	112.4	L892	L892-H894 VanDerWaalsContact C-N 3.33Å; L892-H894 PolarHBondContact O-N 3.29Å
895	H	88.9	Confident	92.2	Very high	75 Å²	75	30.8 Å²	30.8	35%	0.347	14%	0.144	S	C	.	.			trans	-70.2	128.1	174.1	-173.5	-74.4	0	0	0	111.9	P873	P873-H895 HydrophobicContact CG-CB 4Å
896	V	86.2	Confident	92.7	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.079	12%	0.121	C	C	.	.			trans	-100	108.9	176.4	176.3	0	0	0	0	108.9	T870 L892 Q898	T870-V896 HydrophobicContact CG2-CB 3.66Å; T870-V896 HydrophobicContact CG2-CG1 4.17Å; T870-V896 HydrophobicContact CG2-CG2 4.41Å; L892-V896 HydrophobicContact CD1-CG2 4.12Å; V896-Q898 VanDerWaalsContact CG1-O 3.28Å; V896-Q898 WeakPolarHBondContact CG1-O 3.38Å
897	R	80.8	Confident	92.9	Very high	117 Å²	117	23.5 Å²	23.5	44%	0.442	11%	0.113	S	C	.	.	S	Bend	trans	-77.8	-33.2	-177.8	-67.4	-175.1	-179.1	177.2	1.6	113.5	L144	L144-R897 PolarHBondContact O-NH1 3.06Å; L144-R897 VanDerWaalsContact O-NH1 3.09Å
898	Q	80.4	Confident	93	Very high	130 Å²	130	22.2 Å²	22.2	61%	0.607	11%	0.105	S	C	*	.	S	Bend	trans	-146.3	147.3	-177.3	-68.4	-177.8	-11.9	0	0	107.9	V896	V896-Q898 VanDerWaalsContact CG1-O 3.28Å; V896-Q898 WeakPolarHBondContact CG1-O 3.38Å
899	G	85.9	Confident	93	Very high	12 Å²	12	22.9 Å²	22.9	12%	0.124	11%	0.109	C	C	.	.	S	Bend	trans	85	-170.1	-178.7	0	0	0	0	0	114	L523	L523-G899 CarbonylContact O-C 3.53Å; L523-G899 VanDerWaalsContact O-CA 3.28Å; L523-G899 WeakPolarHBondContact O-CA 3.27Å
900	C	89.4	Confident	93	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.068	12%	0.118	C	C	.	.			trans	-85.3	157.8	179.4	-63.6	0	0	0	0	112.8	L523 H528 N859 Y861 I902	L523-C900 PolarHBondContact O-SG 3.35Å; H528-C900 WeakPolarHBondContact CB-SG 3.02Å; N859-C900 HydrophobicContact CB-CB 4.3Å; N859-C900 VanDerWaalsContact OD1-CB 3.31Å; N859-C900 WeakPolarHBondContact OD1-CB 3.42Å; Y861-C900 HydrophobicContact CE1-CB 4.22Å; C900-I902 PolarHBondContact O-N 3.47Å
901	G	90.3	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-73.3	90.7	177.4	0	0	0	0	0	112.1	L860 P903	L860-G901 PolarHBondContact N-O 3.44Å; G901-P903 WeakPolarHBondContact O-CD 3.34Å
902	I	93.7	Very high	92.9	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.205	14%	0.143	C	C	.	.			trans	-88.5	110.3	176.3	-46.8	176.7	0	0	0	109.2	I856 N859 L892 C900	I856-I902 HydrophobicContact CG1-CG2 4.06Å; N859-I902 WeakPolarHBondContact OD1-CG1 3.14Å; L892-I902 WeakPolarHBondContact CD1-O 3.16Å; C900-I902 PolarHBondContact O-N 3.47Å
903	P	96.2	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.			trans	-73.3	177.9	179.4	31.7	-30.8	0	0	0	111.1	I856 T858 L860 Y890 L892 G901 R939	I856-P903 HydrophobicContact CD1-CG 3.91Å; I856-P903 WeakPolarHBondContact CD1-O 3.4Å; T858-P903 VanDerWaalsContact O-CD 3.26Å; T858-P903 WeakPolarHBondContact O-CD 3.49Å; L860-P903 HydrophobicContact CD1-CB 3.92Å; L860-P903 HydrophobicContact CD1-CG 3.91Å; L860-P903 HydrophobicContact CD2-CG 4.4Å; L860-P903 HydrophobicContact CG-CB 4.37Å; L860-P903 HydrophobicContact CG-CG 3.83Å; Y890-P903 HydrophobicContact CD1-CB 4.44Å; Y890-P903 HydrophobicContact CD1-CG 3.86Å; Y890-P903 HydrophobicContact CG-CG 4.4Å; L892-P903 HydrophobicContact CB-CB 4.41Å; G901-P903 WeakPolarHBondContact O-CD 3.34Å; P903-R939 PolarHBondContact O-NH2 3.24Å
904	T	97.6	Very high	92.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135	164.3	-57.7	0	0	0	0	107.9	V852 Y890 L891 Y906 R939 V940	V852-T904 HydrophobicContact CG1-CG2 3.57Å; Y890-T904 WeakPolarHBondContact CA-O 3.43Å; L891-T904 PolarHBondContact N-O 2.91Å; L891-T904 PolarHBondContact O-N 2.84Å; T904-Y906 HydrophobicContact CG2-CD2 4.32Å; T904-Y906 HydrophobicContact CG2-CE1 4.1Å; T904-Y906 HydrophobicContact CG2-CE2 3.61Å; T904-Y906 VanDerWaalsContact CG2-CZ 3.48Å; T904-Y906 WeakPolarHBondContact O-CD2 3.26Å; T904-Y906 WeakPolarHBondContact O-CE2 3.26Å; T904-R939 WeakPolarHBondContact OG1-CG 3.28Å; T904-R939 PolarHBondContact OG1-O 3Å; T904-V940 HydrophobicContact CG2-CG1 4.19Å
905	H	97.6	Very high	92.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.046	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131	178	-179.1	-139.1	0	0	0	109.9	Q853 I856 D888 Y890 V907	Q853-H905 HydrophobicContact CB-CB 4.09Å; Q853-H905 PolarHBondContact N-O 2.65Å; Q853-H905 PolarHBondContact O-N 3.1Å; Q853-H905 PolarHBondContact OE1-ND1 3.04Å; I856-H905 HydrophobicContact CD1-CB 4.24Å; I856-H905 HydrophobicContact CG2-CB 4.13Å; D888-H905 IonicContact OD2-CE1 2.98Å; D888-H905 IonicContact OD2-NE2 3.31Å; D888-H905 PolarHBondContact OD2-NE2 2.63Å; Y890-H905 HydrophobicContact CD1-CB 3.74Å; Y890-H905 AromaticContact CD1-CD2 3.98Å; Y890-H905 AromaticContact CD2-CD2 3.98Å; Y890-H905 HydrophobicContact CE1-CB 3.51Å; Y890-H905 AromaticContact CE1-CD2 3.63Å; Y890-H905 AromaticContact CE1-CG 3.61Å; Y890-H905 AromaticContact CE2-CD2 3.61Å; Y890-H905 AromaticContact CE2-NE2 3.96Å; Y890-H905 AromaticContact CZ-CD2 3.42Å; Y890-H905 VanDerWaalsContact CZ-CD2 3.42Å; Y890-H905 AromaticContact CZ-CG 3.76Å; Y890-H905 AromaticContact CZ-NE2 3.86Å; H905-V907 WeakPolarHBondContact CE1-CG2 3.38Å
906	Y	98	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.2	-178.8	-62.7	-90.1	0	0	0	108.9	Y813 V851 V852 D888 F889 L891 T904 T924 R939 P941	Y813-Y906 HydrophobicContact CD1-CD1 4.41Å; Y813-Y906 HydrophobicContact CD1-CE1 4.44Å; Y813-Y906 HydrophobicContact CE1-CD1 4.3Å; Y813-Y906 HydrophobicContact CE1-CE1 4.39Å; V851-Y906 WeakPolarHBondContact O-CA 3.48Å; V852-Y906 HydrophobicContact CB-CD1 4.48Å; V852-Y906 HydrophobicContact CB-CE1 4.38Å; V852-Y906 HydrophobicContact CG1-CD1 4.26Å; V852-Y906 HydrophobicContact CG1-CE1 3.77Å; V852-Y906 HydrophobicContact CG2-CD1 3.88Å; V852-Y906 HydrophobicContact CG2-CE1 3.86Å; D888-Y906 CarbonylContact C-O 3.55Å; D888-Y906 WeakPolarHBondContact CA-O 3.26Å; D888-Y906 WeakPolarHBondContact CB-O 3.39Å; F889-Y906 HydrophobicContact CD2-CD2 4.07Å; F889-Y906 AromaticContact CE2-CD2 3.56Å; F889-Y906 HydrophobicContact CE2-CD2 3.56Å; F889-Y906 HydrophobicContact CE2-CE2 4.35Å; F889-Y906 AromaticContact CE2-CG 3.86Å; F889-Y906 HydrophobicContact CE2-CG 3.86Å; F889-Y906 HydrophobicContact CZ-CD2 4.07Å; F889-Y906 AromaticContact CZ-CG 3.87Å; F889-Y906 HydrophobicContact CZ-CG 3.87Å; F889-Y906 PolarHBondContact N-O 3.29Å; F889-Y906 PolarHBondContact O-N 3.34Å; L891-Y906 HydrophobicContact CB-CD2 4.24Å; L891-Y906 HydrophobicContact CB-CE2 3.86Å; L891-Y906 HydrophobicContact CD2-CE2 4.26Å; T904-Y906 HydrophobicContact CG2-CD2 4.32Å; T904-Y906 HydrophobicContact CG2-CE1 4.1Å; T904-Y906 HydrophobicContact CG2-CE2 3.61Å; T904-Y906 VanDerWaalsContact CG2-CZ 3.48Å; T904-Y906 WeakPolarHBondContact O-CD2 3.26Å; T904-Y906 WeakPolarHBondContact O-CE2 3.26Å; Y906-T924 HydrophobicContact CD1-CG2 3.78Å; Y906-T924 HydrophobicContact CD2-CG2 4.27Å; Y906-T924 HydrophobicContact CE1-CG2 3.37Å; Y906-T924 HydrophobicContact CE2-CG2 3.92Å; Y906-T924 HydrophobicContact CG-CG2 4.21Å; Y906-T924 VanDerWaalsContact CZ-CG2 3.44Å; Y906-R939 PolarHBondContact OH-O 3.04Å; Y906-P941 HydrophobicContact CE1-CG 4.09Å; Y906-P941 WeakPolarHBondContact OH-CD 3.44Å
907	V	97.4	Very high	93.7	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.2	178	-174.8	0	0	0	0	108.5	L822 F850 V851 W886 D888 H905 V909	L822-V907 HydrophobicContact CD1-CG1 4.26Å; L822-V907 HydrophobicContact CD2-CB 4.38Å; L822-V907 HydrophobicContact CD2-CG1 4.31Å; F850-V907 CarbonylContact C-O 3.57Å; F850-V907 WeakPolarHBondContact CA-O 3.47Å; V851-V907 HydrophobicContact CB-CB 4.45Å; V851-V907 PolarHBondContact N-O 2.95Å; V851-V907 PolarHBondContact O-N 3Å; W886-V907 HydrophobicContact CB-CG1 3.6Å; W886-V907 HydrophobicContact CD2-CG1 4.26Å; W886-V907 HydrophobicContact CG-CG1 3.84Å; D888-V907 HydrophobicContact CB-CB 4.39Å; D888-V907 HydrophobicContact CB-CG1 4.43Å; D888-V907 HydrophobicContact CB-CG2 4.07Å; H905-V907 WeakPolarHBondContact CE1-CG2 3.38Å; V907-V909 HydrophobicContact CG1-CG2 4.39Å; V907-V909 PolarHBondContact O-N 3.09Å
908	C	97.1	Very high	94.4	Very high	9 Å²	9	29.3 Å²	29.3	6%	0.061	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	107.9	174.8	-175.5	0	0	0	0	109.7	F850 V887 L910 M920	F850-C908 HydrophobicContact CD1-CB 3.96Å; F850-C908 HydrophobicContact CE1-CB 3.76Å; V887-C908 HydrophobicContact CB-CB 4.16Å; V887-C908 HydrophobicContact CG1-CB 4.38Å; V887-C908 WeakPolarHBondContact O-CA 3.5Å; V887-C908 VanDerWaalsContact O-CB 3.25Å; V887-C908 WeakPolarHBondContact O-CB 3.19Å; V887-C908 PolarHBondContact O-N 3.15Å; C908-L910 PolarHBondContact SG-O 2.95Å; C908-L910 VanDerWaalsContact SG-O 3.37Å; C908-M920 HydrophobicContact CB-SD 4.26Å
909	V	96.3	Very high	95.2	Very high	17 Å²	17	28.1 Å²	28.1	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-26.1	-176	-170.2	0	0	0	0	111.7	L822 A826 I830 V849 V851 W886 V907	L822-V909 HydrophobicContact CD2-CG2 4.38Å; A826-V909 HydrophobicContact CB-CG1 3.52Å; I830-V909 HydrophobicContact CD1-CB 4.24Å; I830-V909 HydrophobicContact CD1-CG1 3.98Å; V849-V909 PolarHBondContact O-N 3.42Å; V851-V909 HydrophobicContact CB-CG2 4.27Å; V851-V909 HydrophobicContact CG2-CG2 3.65Å; W886-V909 HydrophobicContact CH2-CG1 4.2Å; W886-V909 HydrophobicContact CZ3-CB 4.38Å; W886-V909 HydrophobicContact CZ3-CG1 3.79Å; V907-V909 HydrophobicContact CG1-CG2 4.39Å; V907-V909 PolarHBondContact O-N 3.09Å
910	L	96.9	Very high	95.7	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.204	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.2	174.2	-179.5	73.7	0	0	0	109.6	I830 M847 V848 V849 C908 T912	I830-L910 HydrophobicContact CD1-CB 3.76Å; I830-L910 HydrophobicContact CG2-CD2 3.6Å; M847-L910 HydrophobicContact CB-CD2 4.11Å; M847-L910 HydrophobicContact CG-CD2 4.01Å; M847-L910 HydrophobicContact SD-CD2 4.16Å; V848-L910 CarbonylContact C-O 3.59Å; V848-L910 WeakPolarHBondContact CA-O 3.38Å; V848-L910 WeakPolarHBondContact CG1-O 3.33Å; V849-L910 HydrophobicContact CB-CB 4.2Å; V849-L910 HydrophobicContact CG2-CB 4.19Å; V849-L910 HydrophobicContact CG2-CD2 4.36Å; V849-L910 PolarHBondContact N-O 3.4Å; C908-L910 PolarHBondContact SG-O 2.95Å; C908-L910 VanDerWaalsContact SG-O 3.37Å; L910-T912 HydrophobicContact CD1-CG2 3.86Å; L910-T912 HydrophobicContact CD2-CG2 4.3Å; L910-T912 HydrophobicContact CG-CG2 4.13Å
911	N	96.5	Very high	96.1	Very high	47 Å²	47	27.2 Å²	27.2	25%	0.251	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	78.6	172.6	-176.4	11.5	0	0	0	111.4	V848 A913 N914 L915	V848-N911 HydrophobicContact CG1-CB 4.4Å; V848-N911 WeakPolarHBondContact CG2-OD1 3.48Å; N911-A913 VanDerWaalsContact C-N 3.25Å; N911-A913 PolarHBondContact OD1-N 3.21Å; N911-N914 PolarHBondContact OD1-N 2.82Å; N911-N914 VanDerWaalsContact OD1-N 3.12Å; N911-L915 PolarHBondContact ND2-N 2.91Å; N911-L915 PolarHBondContact ND2-O 3.21Å; N911-L915 PolarHBondContact OD1-N 3.19Å; N911-L915 VanDerWaalsContact OD1-N 3.09Å
912	T	97.2	Very high	96.4	Very high	58 Å²	58	31.1 Å²	31.1	36%	0.356	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.5	173.5	58.4	0	0	0	0	112.5	M847 L910 N914	M847-T912 PolarHBondContact N-OG1 3.35Å; M847-T912 PolarHBondContact O-N 3.24Å; M847-T912 PolarHBondContact O-OG1 2.94Å; L910-T912 HydrophobicContact CD1-CG2 3.86Å; L910-T912 HydrophobicContact CD2-CG2 4.3Å; L910-T912 HydrophobicContact CG-CG2 4.13Å; T912-N914 VanDerWaalsContact C-N 3.29Å
913	A	95.1	Very high	96.7	Very high	16 Å²	16	29.5 Å²	29.5	13%	0.132	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.7	176	0	0	0	0	0	113.7	K846 V848 N911 L915	K846-A913 HydrophobicContact CB-CB 3.81Å; K846-A913 HydrophobicContact CD-CB 4.48Å; V848-A913 HydrophobicContact CG2-CB 3.47Å; V848-A913 VanDerWaalsContact CG2-CB 3.47Å; N911-A913 VanDerWaalsContact C-N 3.25Å; N911-A913 PolarHBondContact OD1-N 3.21Å; A913-L915 HydrophobicContact CB-CD2 4.41Å; A913-L915 HydrophobicContact CB-CG 3.98Å; A913-L915 PolarHBondContact O-N 3.21Å
914	N	93.9	Very high	96.8	Very high	132 Å²	132	29.5 Å²	29.5	71%	0.706	16%	0.158	S	C	*	.			trans	50.7	38.7	-173.7	-59.9	-23	0	0	0	111.9	N911 T912 S916	N911-N914 PolarHBondContact OD1-N 2.82Å; N911-N914 VanDerWaalsContact OD1-N 3.12Å; T912-N914 VanDerWaalsContact C-N 3.29Å; N914-S916 PolarHBondContact O-N 3.4Å
915	L	95.1	Very high	96.8	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	16%	0.158	C	C	.	.			trans	-66.6	127.5	172.4	-64.9	-173.5	0	0	0	108.6	L736 V848 N911 A913 H919 M920	L736-L915 HydrophobicContact CD2-CD2 4.33Å; V848-L915 HydrophobicContact CG2-CD1 3.93Å; V848-L915 HydrophobicContact CG2-CG 4.19Å; N911-L915 PolarHBondContact ND2-N 2.91Å; N911-L915 PolarHBondContact ND2-O 3.21Å; N911-L915 PolarHBondContact OD1-N 3.19Å; N911-L915 VanDerWaalsContact OD1-N 3.09Å; A913-L915 HydrophobicContact CB-CD2 4.41Å; A913-L915 HydrophobicContact CB-CG 3.98Å; A913-L915 PolarHBondContact O-N 3.21Å; L915-H919 HydrophobicContact CB-CB 4.2Å; L915-H919 HydrophobicContact CD2-CB 4.36Å; L915-M920 HydrophobicContact CB-CG 3.67Å; L915-M920 HydrophobicContact CB-SD 4.47Å; L915-M920 HydrophobicContact CD1-CG 4.37Å
916	S	95.9	Very high	96.8	Very high	45 Å²	45	29.7 Å²	29.7	32%	0.315	16%	0.158	S	C	.	.			trans	-64.1	158	172.2	66.5	0	0	0	0	110.7	N914 D918 H919 M920	N914-S916 PolarHBondContact O-N 3.4Å; S916-D918 PolarHBondContact O-N 3.06Å; S916-H919 WeakPolarHBondContact O-CB 3.17Å; S916-H919 PolarHBondContact O-N 3.02Å; S916-H919 VanDerWaalsContact OG-CG 3.25Å; S916-H919 PolarHBondContact OG-N 2.84Å; S916-H919 PolarHBondContact OG-ND1 3.09Å; S916-M920 WeakPolarHBondContact O-CG 3.21Å; S916-M920 PolarHBondContact O-N 3.21Å
917	P	96	Very high	96.8	Very high	18 Å²	18	29.7 Å²	29.7	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-50.4	-42	174.1	-29.7	36.5	0	0	0	113.6	K216 H919 M920 Q921	K216-P917 VanDerWaalsContact O-CB 3.25Å; K216-P917 WeakPolarHBondContact O-CB 3.44Å; P917-H919 PolarHBondContact O-N 3.27Å; P917-M920 PolarHBondContact O-N 2.85Å; P917-Q921 WeakPolarHBondContact O-CB 3.45Å; P917-Q921 WeakPolarHBondContact O-CG 3.33Å; P917-Q921 PolarHBondContact O-N 2.92Å
918	D	96.2	Very high	96.8	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-42.4	175.6	-79.5	-42.2	0	0	0	113	G218 S219 K220 R566 S916 R922	G218-D918 VanDerWaalsContact CA-OD1 3.23Å; G218-D918 WeakPolarHBondContact CA-OD1 3.5Å; S219-D918 PolarHBondContact N-OD1 3.08Å; S219-D918 PolarHBondContact N-OD2 3.09Å; S219-D918 PolarHBondContact OG-OD2 2.77Å; K220-D918 WeakPolarHBondContact CB-OD1 3.34Å; K220-D918 HydrophobicContact CG-CB 4.11Å; K220-D918 PolarHBondContact N-OD1 3.45Å; R566-D918 IonicContact NH1-OD1 3.77Å; S916-D918 PolarHBondContact O-N 3.06Å; D918-R922 VanDerWaalsContact O-CB 3.28Å; D918-R922 WeakPolarHBondContact O-CB 3.2Å; D918-R922 VanDerWaalsContact O-CG 3.25Å; D918-R922 WeakPolarHBondContact O-CG 3.45Å; D918-R922 PolarHBondContact O-N 3.43Å
919	H	96.3	Very high	96.8	Very high	104 Å²	104	29.1 Å²	29.1	48%	0.481	15%	0.154	S	C	.	.	H	α-helix	trans	-65.3	-41.9	177.4	-66.7	161.9	0	0	0	111.4	L915 S916 P917 L923	L915-H919 HydrophobicContact CB-CB 4.2Å; L915-H919 HydrophobicContact CD2-CB 4.36Å; S916-H919 WeakPolarHBondContact O-CB 3.17Å; S916-H919 PolarHBondContact O-N 3.02Å; S916-H919 VanDerWaalsContact OG-CG 3.25Å; S916-H919 PolarHBondContact OG-N 2.84Å; S916-H919 PolarHBondContact OG-ND1 3.09Å; P917-H919 PolarHBondContact O-N 3.27Å; H919-L923 WeakPolarHBondContact O-CB 3.31Å; H919-L923 PolarHBondContact O-N 2.94Å
920	M	97.4	Very high	96.8	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-47.4	178	-66.5	-167.6	-73.2	0	0	112.1	F850 V887 F889 C908 L915 S916 P917 T924	F850-M920 HydrophobicContact CE1-CB 4.1Å; F850-M920 HydrophobicContact CE1-CG 4.28Å; F850-M920 HydrophobicContact CE1-SD 3.83Å; F850-M920 HydrophobicContact CZ-CB 3.68Å; F850-M920 HydrophobicContact CZ-CG 3.67Å; F850-M920 HydrophobicContact CZ-SD 3.66Å; V887-M920 HydrophobicContact CG1-CE 3.8Å; F889-M920 HydrophobicContact CE1-CB 4.39Å; C908-M920 HydrophobicContact CB-SD 4.26Å; L915-M920 HydrophobicContact CB-CG 3.67Å; L915-M920 HydrophobicContact CB-SD 4.47Å; L915-M920 HydrophobicContact CD1-CG 4.37Å; S916-M920 WeakPolarHBondContact O-CG 3.21Å; S916-M920 PolarHBondContact O-N 3.21Å; P917-M920 PolarHBondContact O-N 2.85Å; M920-T924 WeakPolarHBondContact O-CB 3.33Å; M920-T924 PolarHBondContact O-N 2.82Å; M920-T924 VanDerWaalsContact O-N 3.07Å; M920-T924 PolarHBondContact O-OG1 2.85Å
921	Q	98.1	Very high	96.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-47.9	179.6	-69.3	165.1	11.9	0	0	111.2	L568 V876 D878 F889 P917 T924 F925	L568-Q921 HydrophobicContact CD1-CB 4.43Å; V876-Q921 HydrophobicContact CG1-CG 4.17Å; D878-Q921 PolarHBondContact OD2-NE2 2.81Å; F889-Q921 HydrophobicContact CB-CG 4.48Å; F889-Q921 HydrophobicContact CD1-CG 4Å; F889-Q921 HydrophobicContact CD2-CG 3.85Å; F889-Q921 HydrophobicContact CE1-CG 4.15Å; F889-Q921 HydrophobicContact CE2-CB 4.46Å; F889-Q921 HydrophobicContact CE2-CG 4.02Å; F889-Q921 HydrophobicContact CG-CG 3.85Å; F889-Q921 HydrophobicContact CZ-CG 4.17Å; P917-Q921 WeakPolarHBondContact O-CB 3.45Å; P917-Q921 WeakPolarHBondContact O-CG 3.33Å; P917-Q921 PolarHBondContact O-N 2.92Å; Q921-T924 PolarHBondContact O-N 2.86Å; Q921-F925 PolarHBondContact O-N 2.85Å
922	R	97.1	Very high	96.7	Very high	81 Å²	81	25.2 Å²	25.2	31%	0.306	13%	0.132	S	C	.	.	H	α-helix	trans	-69	-41	-179.9	-69.3	-174	69.1	-160.3	1.3	113	L568 E571 D918 T924 F925 K926	L568-R922 HydrophobicContact CD1-CG 4.49Å; L568-R922 HydrophobicContact CD2-CG 4.08Å; E571-R922 IonicContact OE1-NH2 3.74Å; D918-R922 VanDerWaalsContact O-CB 3.28Å; D918-R922 WeakPolarHBondContact O-CB 3.2Å; D918-R922 VanDerWaalsContact O-CG 3.25Å; D918-R922 WeakPolarHBondContact O-CG 3.45Å; D918-R922 PolarHBondContact O-N 3.43Å; R922-T924 VanDerWaalsContact C-N 3.3Å; R922-T924 PolarHBondContact O-N 2.8Å; R922-F925 PolarHBondContact O-N 2.93Å; R922-K926 WeakPolarHBondContact O-CB 3.15Å; R922-K926 VanDerWaalsContact O-CG 3.27Å; R922-K926 WeakPolarHBondContact O-CG 3.44Å; R922-K926 PolarHBondContact O-N 2.9Å
923	L	97.9	Very high	96.5	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-58.4	-46.5	174.5	176.6	61.6	0	0	0	110.5	I734 L736 L739 V811 H919 F925 K926 L927	I734-L923 HydrophobicContact CD1-CD1 4.48Å; I734-L923 HydrophobicContact CG2-CD1 3.87Å; L736-L923 HydrophobicContact CD1-CD1 4.38Å; L736-L923 HydrophobicContact CD1-CD2 4.05Å; L739-L923 HydrophobicContact CD2-CD1 4.17Å; L739-L923 HydrophobicContact CD2-CD2 4.47Å; V811-L923 HydrophobicContact CB-CD2 4.42Å; V811-L923 HydrophobicContact CG1-CD2 4.16Å; V811-L923 HydrophobicContact CG2-CD2 3.93Å; H919-L923 WeakPolarHBondContact O-CB 3.31Å; H919-L923 PolarHBondContact O-N 2.94Å; L923-F925 VanDerWaalsContact C-N 3.35Å; L923-F925 PolarHBondContact O-N 2.85Å; L923-K926 PolarHBondContact O-N 3.48Å; L923-L927 HydrophobicContact CD1-CD1 4.06Å; L923-L927 HydrophobicContact CD1-CG 4.23Å; L923-L927 HydrophobicContact CG-CD1 4.01Å; L923-L927 VanDerWaalsContact O-CG 3.3Å; L923-L927 WeakPolarHBondContact O-CG 3.42Å; L923-L927 PolarHBondContact O-N 2.94Å
924	T	98.4	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-45.5	177.9	-57	0	0	0	0	111.3	Y813 F889 L891 Y906 M920 Q921 R922 L927 C928 P941	Y813-T924 HydrophobicContact CE1-CG2 3.98Å; Y813-T924 WeakPolarHBondContact OH-CA 3.22Å; Y813-T924 PolarHBondContact OH-N 3.12Å; Y813-T924 PolarHBondContact OH-OG1 3.41Å; F889-T924 HydrophobicContact CE2-CG2 4.43Å; F889-T924 HydrophobicContact CZ-CG2 4.35Å; L891-T924 HydrophobicContact CD2-CG2 3.93Å; Y906-T924 HydrophobicContact CD1-CG2 3.78Å; Y906-T924 HydrophobicContact CD2-CG2 4.27Å; Y906-T924 HydrophobicContact CE1-CG2 3.37Å; Y906-T924 HydrophobicContact CE2-CG2 3.92Å; Y906-T924 HydrophobicContact CG-CG2 4.21Å; Y906-T924 VanDerWaalsContact CZ-CG2 3.44Å; M920-T924 WeakPolarHBondContact O-CB 3.33Å; M920-T924 PolarHBondContact O-N 2.82Å; M920-T924 VanDerWaalsContact O-N 3.07Å; M920-T924 PolarHBondContact O-OG1 2.85Å; Q921-T924 PolarHBondContact O-N 2.86Å; R922-T924 VanDerWaalsContact C-N 3.3Å; R922-T924 PolarHBondContact O-N 2.8Å; T924-L927 PolarHBondContact O-N 2.91Å; T924-C928 PolarHBondContact O-N 3.25Å; T924-C928 PolarHBondContact O-SG 3.29Å; T924-C928 VanDerWaalsContact O-SG 3.33Å; T924-P941 HydrophobicContact CG2-CG 4Å
925	F	97.7	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-43.6	177.6	-173.5	-130.7	0	0	0	112.7	L568 E571 L586 L891 A893 Q921 R922 L923 L927 C928 H929 T937	L568-F925 HydrophobicContact CB-CD1 4.01Å; L568-F925 HydrophobicContact CB-CE1 4.29Å; L568-F925 HydrophobicContact CD1-CB 3.71Å; L568-F925 HydrophobicContact CD1-CD1 4.05Å; L568-F925 HydrophobicContact CD1-CG 4.03Å; E571-F925 HydrophobicContact CG-CD1 4.17Å; E571-F925 HydrophobicContact CG-CE1 4.26Å; L586-F925 HydrophobicContact CD1-CE2 4.21Å; L586-F925 HydrophobicContact CD1-CZ 3.98Å; L891-F925 HydrophobicContact CD1-CD2 4.14Å; L891-F925 HydrophobicContact CD2-CB 4.02Å; L891-F925 HydrophobicContact CD2-CD2 4.36Å; A893-F925 HydrophobicContact CB-CD2 4.1Å; A893-F925 HydrophobicContact CB-CE2 4.36Å; Q921-F925 PolarHBondContact O-N 2.85Å; R922-F925 PolarHBondContact O-N 2.93Å; L923-F925 VanDerWaalsContact C-N 3.35Å; L923-F925 PolarHBondContact O-N 2.85Å; F925-L927 VanDerWaalsContact C-N 3.33Å; F925-L927 PolarHBondContact O-N 3.09Å; F925-C928 WeakPolarHBondContact O-CB 3.38Å; F925-C928 PolarHBondContact O-N 3.19Å; F925-C928 VanDerWaalsContact O-N 3.09Å; F925-H929 AromaticContact CD1-CE1 4Å; F925-H929 AromaticContact CE1-CE1 3.76Å; F925-H929 AromaticContact CE2-CE1 3.74Å; F925-H929 AromaticContact CZ-CE1 3.62Å; F925-H929 PolarHBondContact O-CE1 3.48Å; F925-H929 PolarHBondContact O-ND1 3.28Å; F925-T937 HydrophobicContact CE2-CG2 4.47Å
926	K	97.3	Very high	96.2	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.057	10%	0.099	C	C	.	.	H	α-helix	trans	-56.3	-46	174.5	-73.2	170.8	179.9	-74.7	0	111.7	E571 V732 D733 I734 R922 L923 C928 H929	E571-K926 VanDerWaalsContact CD-CG 3.48Å; E571-K926 HydrophobicContact CG-CG 3.92Å; E571-K926 VanDerWaalsContact OE1-CE 3.25Å; E571-K926 WeakPolarHBondContact OE1-CE 3.3Å; E571-K926 WeakPolarHBondContact OE1-CG 3.49Å; E571-K926 IonicContact OE1-NZ 3.91Å; E571-K926 PolarHBondContact OE1-NZ 3.37Å; E571-K926 WeakPolarHBondContact OE2-CE 3.48Å; E571-K926 IonicContact OE2-NZ 3.56Å; E571-K926 PolarHBondContact OE2-NZ 2.71Å; V732-K926 HydrophobicContact CG1-CB 4.05Å; V732-K926 HydrophobicContact CG1-CD 4.38Å; V732-K926 HydrophobicContact CG1-CG 3.86Å; D733-K926 WeakPolarHBondContact O-CE 3.43Å; D733-K926 PolarHBondContact O-NZ 2.93Å; I734-K926 HydrophobicContact CD1-CB 4.43Å; I734-K926 HydrophobicContact CG1-CB 4.26Å; I734-K926 HydrophobicContact CG1-CD 3.95Å; R922-K926 WeakPolarHBondContact O-CB 3.15Å; R922-K926 VanDerWaalsContact O-CG 3.27Å; R922-K926 WeakPolarHBondContact O-CG 3.44Å; R922-K926 PolarHBondContact O-N 2.9Å; L923-K926 PolarHBondContact O-N 3.48Å; K926-C928 PolarHBondContact O-N 3.16Å; K926-H929 WeakPolarHBondContact O-CB 3.45Å; K926-H929 PolarHBondContact O-N 3.46Å; K926-H929 PolarHBondContact O-ND1 3.03Å
927	L	98.2	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-22	179.3	-66.9	167.8	0	0	0	113.5	I734 V741 Y813 L923 T924 F925 H929 M930 P941 A942	I734-L927 HydrophobicContact CD1-CD2 4.23Å; V741-L927 HydrophobicContact CG1-CD1 3.74Å; V741-L927 HydrophobicContact CG1-CD2 4.32Å; V741-L927 HydrophobicContact CG2-CD1 4.36Å; V741-L927 HydrophobicContact CG2-CD2 4.35Å; Y813-L927 HydrophobicContact CD2-CD1 4.32Å; Y813-L927 HydrophobicContact CE2-CD1 3.38Å; L923-L927 HydrophobicContact CD1-CD1 4.06Å; L923-L927 HydrophobicContact CD1-CG 4.23Å; L923-L927 HydrophobicContact CG-CD1 4.01Å; L923-L927 VanDerWaalsContact O-CG 3.3Å; L923-L927 WeakPolarHBondContact O-CG 3.42Å; L923-L927 PolarHBondContact O-N 2.94Å; T924-L927 PolarHBondContact O-N 2.91Å; F925-L927 VanDerWaalsContact C-N 3.33Å; F925-L927 PolarHBondContact O-N 3.09Å; L927-H929 PolarHBondContact O-N 3.36Å; L927-M930 PolarHBondContact O-N 2.92Å; L927-P941 HydrophobicContact CB-CB 3.84Å; L927-A942 VanDerWaalsContact O-CB 3.31Å; L927-A942 WeakPolarHBondContact O-CB 3.27Å; L927-A942 PolarHBondContact O-N 3.03Å
928	C	97.5	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.4	171.8	-68.3	0	0	0	0	113.6	A893 T924 F925 K926 T937 I938 V940	A893-C928 HydrophobicContact CB-CB 3.87Å; T924-C928 PolarHBondContact O-N 3.25Å; T924-C928 PolarHBondContact O-SG 3.29Å; T924-C928 VanDerWaalsContact O-SG 3.33Å; F925-C928 WeakPolarHBondContact O-CB 3.38Å; F925-C928 PolarHBondContact O-N 3.19Å; F925-C928 VanDerWaalsContact O-N 3.09Å; K926-C928 PolarHBondContact O-N 3.16Å; C928-T937 WeakPolarHBondContact O-CA 3.39Å; C928-I938 WeakPolarHBondContact CB-O 3.32Å; C928-I938 WeakPolarHBondContact O-CG1 3.35Å; C928-I938 PolarHBondContact O-N 3.35Å; C928-V940 VanDerWaalsContact SG-C 3.54Å
929	H	96.8	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.5	175.1	-60.3	73	0	0	0	112.7	I573 W588 W730 V732 F925 K926 L927 Y931 T937	I573-H929 HydrophobicContact CD1-CB 4.2Å; W588-H929 HydrophobicContact CH2-CB 3.97Å; W588-H929 AromaticContact CH2-CD2 3.7Å; W588-H929 HydrophobicContact CZ2-CB 4.49Å; W588-H929 AromaticContact CZ3-CD2 3.9Å; W730-H929 PolarHBondContact NE1-O 2.9Å; V732-H929 HydrophobicContact CG2-CB 3.83Å; F925-H929 AromaticContact CD1-CE1 4Å; F925-H929 AromaticContact CE1-CE1 3.76Å; F925-H929 AromaticContact CE2-CE1 3.74Å; F925-H929 AromaticContact CZ-CE1 3.62Å; F925-H929 PolarHBondContact O-CE1 3.48Å; F925-H929 PolarHBondContact O-ND1 3.28Å; K926-H929 WeakPolarHBondContact O-CB 3.45Å; K926-H929 PolarHBondContact O-N 3.46Å; K926-H929 PolarHBondContact O-ND1 3.03Å; L927-H929 PolarHBondContact O-N 3.36Å; H929-Y931 PolarHBondContact O-N 2.9Å; H929-T937 WeakPolarHBondContact CD2-CG2 3.31Å; H929-T937 VanDerWaalsContact CE1-CG2 3.47Å; H929-T937 WeakPolarHBondContact CE1-CG2 3.45Å; H929-T937 WeakPolarHBondContact NE2-CG2 3.37Å
930	M	96.5	Very high	96.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	7%	0.071	C	C	.	.			trans	-93.5	14	-167.3	-63.9	-64.9	-71.3	0	0	114	V732 L768 T769 L927 A942 Y946	V732-M930 HydrophobicContact CB-SD 4.08Å; V732-M930 HydrophobicContact CG2-SD 3.88Å; L768-M930 WeakPolarHBondContact O-CE 3.38Å; T769-M930 HydrophobicContact CG2-CE 3.87Å; L927-M930 PolarHBondContact O-N 2.92Å; M930-A942 HydrophobicContact CB-CB 3.71Å; M930-A942 WeakPolarHBondContact O-CB 3.36Å; M930-Y946 PolarHBondContact O-OH 3.23Å; M930-Y946 VanDerWaalsContact O-OH 3.1Å
931	Y	96.8	Very high	96.1	Very high	15 Å²	15	16.4 Å²	16.4	6%	0.059	7%	0.071	C	C	.	.			trans	-94.9	99.7	-179.8	178.4	-107.9	0	0	0	111.9	H929 N933 W934 I938 K945 Y946 L973	H929-Y931 PolarHBondContact O-N 2.9Å; Y931-N933 VanDerWaalsContact C-N 3.29Å; Y931-N933 HydrophobicContact CD1-CB 4.2Å; Y931-N933 HydrophobicContact CE1-CB 3.44Å; Y931-N933 VanDerWaalsContact CE1-CB 3.44Å; Y931-N933 HydrophobicContact CE2-CB 4.17Å; Y931-N933 VanDerWaalsContact CZ-CB 3.43Å; Y931-N933 PolarHBondContact O-N 3.28Å; Y931-N933 VanDerWaalsContact O-N 3.14Å; Y931-N933 WeakPolarHBondContact OH-CB 3.26Å; Y931-W934 HydrophobicContact CD1-CB 3.91Å; Y931-W934 HydrophobicContact CE1-CB 4.23Å; Y931-W934 PolarHBondContact O-N 3.16Å; Y931-I938 HydrophobicContact CD1-CD1 4.08Å; Y931-I938 HydrophobicContact CD1-CG2 3.75Å; Y931-I938 HydrophobicContact CD2-CD1 4.37Å; Y931-I938 HydrophobicContact CG-CD1 3.7Å; Y931-I938 HydrophobicContact CG-CG1 4.45Å; Y931-I938 HydrophobicContact CG-CG2 4.38Å; Y931-K945 HydrophobicContact CD1-CG 4.36Å; Y931-K945 HydrophobicContact CD2-CB 3.94Å; Y931-K945 HydrophobicContact CD2-CG 3.58Å; Y931-K945 HydrophobicContact CE1-CG 4.19Å; Y931-K945 HydrophobicContact CE2-CB 4.15Å; Y931-K945 HydrophobicContact CE2-CG 3.37Å; Y931-K945 HydrophobicContact CG-CB 4.48Å; Y931-K945 HydrophobicContact CG-CG 4.07Å; Y931-Y946 AromaticContact CD2-CD1 3.9Å; Y931-Y946 HydrophobicContact CD2-CD1 3.9Å; Y931-Y946 AromaticContact CD2-CE1 3.49Å; Y931-Y946 HydrophobicContact CD2-CE1 3.49Å; Y931-Y946 VanDerWaalsContact CD2-CE1 3.49Å; Y931-Y946 AromaticContact CD2-CZ 3.93Å; Y931-Y946 AromaticContact CE2-CD1 3.91Å; Y931-Y946 HydrophobicContact CE2-CD1 3.91Å; Y931-Y946 AromaticContact CE2-CE1 3.74Å; Y931-Y946 HydrophobicContact CE2-CE1 3.74Å; Y931-L973 HydrophobicContact CE2-CD2 4.07Å
932	W	94.6	Very high	96.1	Very high	6 Å²	6	16.4 Å²	16.4	2%	0.023	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	-167.6	-69.5	-21.9	0	0	0	117.6	C723 G727 E728 L729 W730 T769 W934 Y946 L970	C723-W932 HydrophobicContact CB-CE3 4.45Å; G727-W932 VanDerWaalsContact O-CZ3 3.29Å; G727-W932 WeakPolarHBondContact O-CZ3 3.43Å; E728-W932 VanDerWaalsContact CA-CH2 3.44Å; E728-W932 HydrophobicContact CB-CH2 3.77Å; E728-W932 HydrophobicContact CB-CZ2 4.11Å; E728-W932 HydrophobicContact CG-CH2 3.98Å; L729-W932 HydrophobicContact CB-CD2 4.31Å; L729-W932 HydrophobicContact CB-CG 4.1Å; L729-W932 HydrophobicContact CD1-CB 3.69Å; L729-W932 HydrophobicContact CD1-CG 4.02Å; L729-W932 HydrophobicContact CG-CB 4.22Å; L729-W932 HydrophobicContact CG-CD2 4.25Å; L729-W932 HydrophobicContact CG-CG 4.07Å; W730-W932 AromaticContact CD2-CD1 3.75Å; W730-W932 AromaticContact CE2-CD1 3.55Å; W730-W932 VanDerWaalsContact CH2-CA 3.48Å; W730-W932 HydrophobicContact CH2-CB 4.33Å; W730-W932 AromaticContact CH2-CD1 3.96Å; W730-W932 WeakPolarHBondContact CH2-O 3.5Å; W730-W932 AromaticContact CZ2-CD1 3.68Å; W730-W932 PolarHBondContact O-NE1 2.61Å; T769-W932 HydrophobicContact CG2-CZ2 4.06Å; T769-W932 WeakPolarHBondContact O-CH2 3.44Å; T769-W932 WeakPolarHBondContact O-CZ3 3.29Å; W932-W934 PolarHBondContact O-N 3.48Å; W932-Y946 PolarHBondContact N-OH 3.21Å; W932-Y946 VanDerWaalsContact N-OH 3.15Å; W932-L970 HydrophobicContact CE3-CD1 3.58Å; W932-L970 HydrophobicContact CZ3-CD1 3.83Å
933	N	93.2	Very high	96.1	Very high	49 Å²	49	12.5 Å²	12.5	26%	0.262	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.3	172.8	-95.3	7.3	0	0	0	113.1	Y931 L973	Y931-N933 VanDerWaalsContact C-N 3.29Å; Y931-N933 HydrophobicContact CD1-CB 4.2Å; Y931-N933 HydrophobicContact CE1-CB 3.44Å; Y931-N933 VanDerWaalsContact CE1-CB 3.44Å; Y931-N933 HydrophobicContact CE2-CB 4.17Å; Y931-N933 VanDerWaalsContact CZ-CB 3.43Å; Y931-N933 PolarHBondContact O-N 3.28Å; Y931-N933 VanDerWaalsContact O-N 3.14Å; Y931-N933 WeakPolarHBondContact OH-CB 3.26Å; N933-L973 WeakPolarHBondContact ND2-CD2 3.37Å
934	W	92.4	Very high	96	Very high	67 Å²	67	12.2 Å²	12.2	25%	0.254	5%	0.054	S	C	.	.	S	Bend	trans	-142.1	112.5	177.8	-177.6	-103.4	0	0	0	110.2	M143 W730 Y931 W932 G936 I938	M143-W934 HydrophobicContact CE-CH2 4.27Å; M143-W934 HydrophobicContact CE-CZ2 3.71Å; M143-W934 HydrophobicContact SD-CH2 3.49Å; M143-W934 WeakPolarHBondContact SD-CH2 3.39Å; M143-W934 HydrophobicContact SD-CZ2 3.55Å; M143-W934 VanDerWaalsContact SD-CZ2 3.55Å; M143-W934 HydrophobicContact SD-CZ3 4.12Å; W730-W934 WeakPolarHBondContact CZ2-O 3.48Å; Y931-W934 HydrophobicContact CD1-CB 3.91Å; Y931-W934 HydrophobicContact CE1-CB 4.23Å; Y931-W934 PolarHBondContact O-N 3.16Å; W932-W934 PolarHBondContact O-N 3.48Å; W934-G936 VanDerWaalsContact CD1-C 3.46Å; W934-G936 VanDerWaalsContact CD1-O 3.28Å; W934-G936 PolarHBondContact O-N 2.78Å; W934-I938 HydrophobicContact CB-CG2 4.13Å; W934-I938 HydrophobicContact CG-CG2 4.2Å
935	P	92.2	Very high	96	Very high	9 Å²	9	15 Å²	15	6%	0.058	7%	0.066	C	C	.	.	S	Bend	trans	-77	64.5	177.6	34.3	-38.8	0	0	0	111.1	N587 W588 V589 V592 W730	N587-P935 PolarHBondContact OD1-O 3.49Å; W588-P935 VanDerWaalsContact CE2-C 3.48Å; W588-P935 HydrophobicContact CG-CB 4.47Å; W588-P935 PolarHBondContact N-O 2.9Å; V589-P935 HydrophobicContact CB-CG 4.28Å; V589-P935 HydrophobicContact CG2-CB 4.37Å; V589-P935 HydrophobicContact CG2-CG 3.42Å; V589-P935 VanDerWaalsContact CG2-CG 3.42Å; V592-P935 HydrophobicContact CB-CB 4.5Å; V592-P935 HydrophobicContact CG2-CB 3.82Å; W730-P935 HydrophobicContact CH2-CB 4.14Å; W730-P935 HydrophobicContact CZ3-CB 4.44Å
936	G	93.4	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-176.6	176.3	-178.1	0	0	0	0	0	110.1	L586 W588 W934	L586-G936 WeakPolarHBondContact O-CA 3.41Å; W588-G936 VanDerWaalsContact CZ3-CA 3.42Å; W934-G936 VanDerWaalsContact CD1-C 3.46Å; W934-G936 VanDerWaalsContact CD1-O 3.28Å; W934-G936 PolarHBondContact O-N 2.78Å
937	T	94.7	Very high	96	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.031	6%	0.064	C	C	.	.			trans	-74.2	144.6	173.9	49.7	0	0	0	0	112.9	L586 W588 A893 F925 C928 H929	L586-T937 HydrophobicContact CB-CG2 4.07Å; L586-T937 WeakPolarHBondContact CB-OG1 3.34Å; L586-T937 HydrophobicContact CD1-CG2 3.58Å; L586-T937 WeakPolarHBondContact CD1-OG1 3.24Å; L586-T937 HydrophobicContact CG-CG2 4.3Å; L586-T937 PolarHBondContact O-N 3.35Å; W588-T937 HydrophobicContact CH2-CG2 4.46Å; A893-T937 WeakPolarHBondContact O-CB 3.42Å; A893-T937 PolarHBondContact O-OG1 3.11Å; F925-T937 HydrophobicContact CE2-CG2 4.47Å; C928-T937 WeakPolarHBondContact O-CA 3.39Å; H929-T937 WeakPolarHBondContact CD2-CG2 3.31Å; H929-T937 VanDerWaalsContact CE1-CG2 3.47Å; H929-T937 WeakPolarHBondContact CE1-CG2 3.45Å; H929-T937 WeakPolarHBondContact NE2-CG2 3.37Å
938	I	95.1	Very high	95.9	Very high	18 Å²	18	17 Å²	17	9%	0.092	8%	0.076	C	C	.	.			trans	-111.2	166.6	171.9	57.8	155.2	0	0	0	112.1	C928 Y931 W934 V940 K945	C928-I938 WeakPolarHBondContact CB-O 3.32Å; C928-I938 WeakPolarHBondContact O-CG1 3.35Å; C928-I938 PolarHBondContact O-N 3.35Å; Y931-I938 HydrophobicContact CD1-CD1 4.08Å; Y931-I938 HydrophobicContact CD1-CG2 3.75Å; Y931-I938 HydrophobicContact CD2-CD1 4.37Å; Y931-I938 HydrophobicContact CG-CD1 3.7Å; Y931-I938 HydrophobicContact CG-CG1 4.45Å; Y931-I938 HydrophobicContact CG-CG2 4.38Å; W934-I938 HydrophobicContact CB-CG2 4.13Å; W934-I938 HydrophobicContact CG-CG2 4.2Å; I938-V940 WeakPolarHBondContact CD1-O 3.24Å; I938-V940 WeakPolarHBondContact CG1-O 3.29Å; I938-V940 PolarHBondContact O-N 2.79Å; I938-K945 HydrophobicContact CD1-CB 3.62Å; I938-K945 HydrophobicContact CD1-CG 3.86Å
939	R	94.8	Very high	95.8	Very high	63 Å²	63	19.8 Å²	19.8	24%	0.238	9%	0.088	C	C	.	.	S	Bend	trans	-68	-27.4	-172.7	-179.9	169.8	-175.3	-175.6	4.4	115.3	K854 P903 T904 Y906	K854-R939 PolarHBondContact O-NH1 3.31Å; K854-R939 PolarHBondContact O-NH2 3.36Å; P903-R939 PolarHBondContact O-NH2 3.24Å; T904-R939 WeakPolarHBondContact OG1-CG 3.28Å; T904-R939 PolarHBondContact OG1-O 3Å; Y906-R939 PolarHBondContact OH-O 3.04Å
940	V	97.1	Very high	95.9	Very high	10 Å²	10	19.9 Å²	19.9	6%	0.061	9%	0.088	C	C	.	.	S	Bend	trans	-129.3	158.5	-177.7	-62.1	0	0	0	0	108.7	V852 K854 T904 C928 I938 C944 K945	V852-V940 HydrophobicContact CG1-CB 4.48Å; V852-V940 HydrophobicContact CG1-CG1 4.02Å; K854-V940 HydrophobicContact CB-CG1 4.28Å; K854-V940 HydrophobicContact CD-CG1 4.42Å; T904-V940 HydrophobicContact CG2-CG1 4.19Å; C928-V940 VanDerWaalsContact SG-C 3.54Å; I938-V940 WeakPolarHBondContact CD1-O 3.24Å; I938-V940 WeakPolarHBondContact CG1-O 3.29Å; I938-V940 PolarHBondContact O-N 2.79Å; V940-C944 HydrophobicContact CB-CB 4.36Å; V940-C944 HydrophobicContact CG2-CB 4.17Å; V940-K945 HydrophobicContact CG2-CB 4.17Å
941	P	98.1	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.088	C	C	.	.			trans	-53.1	142.5	176	-29.7	38.9	0	0	0	112	Y813 Y906 T924 L927 P943 C944 K945	Y813-P941 HydrophobicContact CD1-CG 3.81Å; Y813-P941 HydrophobicContact CD2-CB 4.49Å; Y813-P941 HydrophobicContact CE1-CG 3.81Å; Y813-P941 HydrophobicContact CG-CB 4.46Å; Y813-P941 HydrophobicContact CG-CG 4.18Å; Y906-P941 HydrophobicContact CE1-CG 4.09Å; Y906-P941 WeakPolarHBondContact OH-CD 3.44Å; T924-P941 HydrophobicContact CG2-CG 4Å; L927-P941 HydrophobicContact CB-CB 3.84Å; P941-P943 VanDerWaalsContact C-CD 3.46Å; P941-P943 VanDerWaalsContact C-N 3.33Å; P941-P943 HydrophobicContact CB-CG 4.04Å; P941-C944 WeakPolarHBondContact O-CB 3.36Å; P941-C944 PolarHBondContact O-N 3.21Å; P941-K945 PolarHBondContact O-N 3.46Å; P941-K945 VanDerWaalsContact O-N 3.12Å
942	A	97.9	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-45.8	-47.3	175.4	0	0	0	0	0	114.2	L927 M930 C944 K945 Y946	L927-A942 VanDerWaalsContact O-CB 3.31Å; L927-A942 WeakPolarHBondContact O-CB 3.27Å; L927-A942 PolarHBondContact O-N 3.03Å; M930-A942 HydrophobicContact CB-CB 3.71Å; M930-A942 WeakPolarHBondContact O-CB 3.36Å; A942-C944 VanDerWaalsContact C-N 3.34Å; A942-C944 PolarHBondContact O-N 3.24Å; A942-K945 WeakPolarHBondContact O-CA 3.4Å; A942-K945 WeakPolarHBondContact O-CB 3.41Å; A942-K945 PolarHBondContact O-N 3.17Å; A942-Y946 HydrophobicContact CB-CD2 4.28Å; A942-Y946 HydrophobicContact CB-CE2 3.82Å; A942-Y946 WeakPolarHBondContact O-CD2 3.37Å; A942-Y946 PolarHBondContact O-N 3.09Å
943	P	97.4	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.7	-42.2	177.3	16.4	-30	0	0	0	113.6	V741 W771 P941 K945 Y946 A947	V741-P943 HydrophobicContact CG1-CB 4.44Å; V741-P943 HydrophobicContact CG1-CG 3.74Å; W771-P943 HydrophobicContact CH2-CB 4.11Å; W771-P943 HydrophobicContact CH2-CG 4.2Å; W771-P943 HydrophobicContact CZ3-CB 3.78Å; W771-P943 HydrophobicContact CZ3-CG 4.31Å; P941-P943 VanDerWaalsContact C-CD 3.46Å; P941-P943 VanDerWaalsContact C-N 3.33Å; P941-P943 HydrophobicContact CB-CG 4.04Å; P943-K945 VanDerWaalsContact C-N 3.33Å; P943-K945 PolarHBondContact O-N 2.77Å; P943-Y946 PolarHBondContact O-N 3.03Å; P943-A947 WeakPolarHBondContact O-CB 3.36Å; P943-A947 PolarHBondContact O-N 2.98Å
944	C	96.8	Very high	95.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-42.3	174	-64.5	0	0	0	0	111.7	Y813 V940 P941 A942 Y946 A947 H948	Y813-C944 WeakPolarHBondContact CB-SG 3.37Å; Y813-C944 PolarHBondContact O-SG 3.29Å; V940-C944 HydrophobicContact CB-CB 4.36Å; V940-C944 HydrophobicContact CG2-CB 4.17Å; P941-C944 WeakPolarHBondContact O-CB 3.36Å; P941-C944 PolarHBondContact O-N 3.21Å; A942-C944 VanDerWaalsContact C-N 3.34Å; A942-C944 PolarHBondContact O-N 3.24Å; C944-Y946 VanDerWaalsContact C-N 3.32Å; C944-Y946 PolarHBondContact O-N 3.47Å; C944-A947 PolarHBondContact O-N 2.85Å; C944-H948 WeakPolarHBondContact O-CB 3.43Å; C944-H948 PolarHBondContact O-N 2.82Å
945	K	97.4	Very high	95.5	Very high	59 Å²	59	16.9 Å²	16.9	26%	0.257	8%	0.077	S	C	.	.	H	α-helix	trans	-66.1	-38	-179.6	-172	59.9	171.7	-175.5	0	111.8	Y931 I938 V940 P941 A942 P943 K949	Y931-K945 HydrophobicContact CD1-CG 4.36Å; Y931-K945 HydrophobicContact CD2-CB 3.94Å; Y931-K945 HydrophobicContact CD2-CG 3.58Å; Y931-K945 HydrophobicContact CE1-CG 4.19Å; Y931-K945 HydrophobicContact CE2-CB 4.15Å; Y931-K945 HydrophobicContact CE2-CG 3.37Å; Y931-K945 HydrophobicContact CG-CB 4.48Å; Y931-K945 HydrophobicContact CG-CG 4.07Å; I938-K945 HydrophobicContact CD1-CB 3.62Å; I938-K945 HydrophobicContact CD1-CG 3.86Å; V940-K945 HydrophobicContact CG2-CB 4.17Å; P941-K945 PolarHBondContact O-N 3.46Å; P941-K945 VanDerWaalsContact O-N 3.12Å; A942-K945 WeakPolarHBondContact O-CA 3.4Å; A942-K945 WeakPolarHBondContact O-CB 3.41Å; A942-K945 PolarHBondContact O-N 3.17Å; P943-K945 VanDerWaalsContact C-N 3.33Å; P943-K945 PolarHBondContact O-N 2.77Å; K945-K949 WeakPolarHBondContact O-CB 3.48Å; K945-K949 WeakPolarHBondContact O-CG 3.08Å; K945-K949 PolarHBondContact O-N 3.47Å; K945-K949 VanDerWaalsContact O-N 3.1Å
946	Y	98.3	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-47.9	173.8	-66.7	-46.2	0	0	0	111.4	W771 M930 Y931 W932 A942 P943 C944 H948 K949 L950 L970 F972 L973	W771-Y946 HydrophobicContact CD2-CD2 4.15Å; W771-Y946 HydrophobicContact CD2-CE2 4.19Å; W771-Y946 AromaticContact CE2-CE2 3.63Å; W771-Y946 HydrophobicContact CZ2-CD2 4.3Å; W771-Y946 AromaticContact CZ2-CE2 3.89Å; W771-Y946 HydrophobicContact CZ2-CE2 3.89Å; W771-Y946 AromaticContact NE1-CE2 3.67Å; M930-Y946 PolarHBondContact O-OH 3.23Å; M930-Y946 VanDerWaalsContact O-OH 3.1Å; Y931-Y946 AromaticContact CD2-CD1 3.9Å; Y931-Y946 HydrophobicContact CD2-CD1 3.9Å; Y931-Y946 AromaticContact CD2-CE1 3.49Å; Y931-Y946 HydrophobicContact CD2-CE1 3.49Å; Y931-Y946 VanDerWaalsContact CD2-CE1 3.49Å; Y931-Y946 AromaticContact CD2-CZ 3.93Å; Y931-Y946 AromaticContact CE2-CD1 3.91Å; Y931-Y946 HydrophobicContact CE2-CD1 3.91Å; Y931-Y946 AromaticContact CE2-CE1 3.74Å; Y931-Y946 HydrophobicContact CE2-CE1 3.74Å; W932-Y946 PolarHBondContact N-OH 3.21Å; W932-Y946 VanDerWaalsContact N-OH 3.15Å; A942-Y946 HydrophobicContact CB-CD2 4.28Å; A942-Y946 HydrophobicContact CB-CE2 3.82Å; A942-Y946 WeakPolarHBondContact O-CD2 3.37Å; A942-Y946 PolarHBondContact O-N 3.09Å; P943-Y946 PolarHBondContact O-N 3.03Å; C944-Y946 VanDerWaalsContact C-N 3.32Å; C944-Y946 PolarHBondContact O-N 3.47Å; Y946-H948 PolarHBondContact O-N 3.03Å; Y946-K949 WeakPolarHBondContact O-CB 3.23Å; Y946-K949 PolarHBondContact O-N 2.9Å; Y946-K949 VanDerWaalsContact O-N 3.12Å; Y946-L950 WeakPolarHBondContact O-CB 3.35Å; Y946-L950 PolarHBondContact O-N 3.11Å; Y946-L970 HydrophobicContact CD1-CD2 4.06Å; Y946-L970 HydrophobicContact CD2-CD2 4.48Å; Y946-L970 HydrophobicContact CE1-CD1 3.94Å; Y946-L970 HydrophobicContact CE1-CD2 4.16Å; Y946-L970 HydrophobicContact CG-CD2 4.23Å; Y946-F972 HydrophobicContact CD1-CE2 4.03Å; Y946-F972 HydrophobicContact CD1-CZ 4.46Å; Y946-F972 HydrophobicContact CG-CE2 4.37Å; Y946-F972 WeakPolarHBondContact O-CE2 3.23Å; Y946-L973 HydrophobicContact CD1-CD2 3.83Å; Y946-L973 HydrophobicContact CE1-CD1 4.2Å; Y946-L973 HydrophobicContact CE1-CD2 3.78Å; Y946-L973 HydrophobicContact CE1-CG 4.47Å
947	A	97.3	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.6	-46.3	176.1	0	0	0	0	0	112.4	G743 D745 G759 V761 P943 C944 K949 L950 A951	G743-A947 WeakPolarHBondContact O-CB 3.41Å; D745-A947 HydrophobicContact CB-CB 4.16Å; G759-A947 WeakPolarHBondContact O-CB 3.45Å; V761-A947 HydrophobicContact CG2-CB 4.25Å; P943-A947 WeakPolarHBondContact O-CB 3.36Å; P943-A947 PolarHBondContact O-N 2.98Å; C944-A947 PolarHBondContact O-N 2.85Å; A947-K949 PolarHBondContact O-N 2.84Å; A947-L950 PolarHBondContact O-N 3.49Å; A947-A951 WeakPolarHBondContact O-CB 3.48Å; A947-A951 PolarHBondContact O-N 3.07Å
948	H	95.6	Very high	95	Very high	56 Å²	56	20.4 Å²	20.4	26%	0.259	9%	0.093	S	C	.	.	H	α-helix	trans	-58.7	-45.5	174.4	177.3	-155.7	0	0	0	112.3	D745 C944 Y946 L950 A951 F952	D745-H948 HydrophobicContact CB-CB 4.19Å; D745-H948 VanDerWaalsContact OD2-CA 3.26Å; D745-H948 WeakPolarHBondContact OD2-CA 3.36Å; D745-H948 WeakPolarHBondContact OD2-CB 3.4Å; D745-H948 IonicContact OD2-CD2 3.81Å; D745-H948 PolarHBondContact OD2-CD2 2.85Å; D745-H948 IonicContact OD2-CG 3.51Å; C944-H948 WeakPolarHBondContact O-CB 3.43Å; C944-H948 PolarHBondContact O-N 2.82Å; Y946-H948 PolarHBondContact O-N 3.03Å; H948-L950 PolarHBondContact O-N 3.48Å; H948-A951 PolarHBondContact O-N 3.14Å; H948-F952 WeakPolarHBondContact O-CB 3.28Å; H948-F952 PolarHBondContact O-N 3.32Å
949	K	96.4	Very high	94.8	Very high	58 Å²	58	21.8 Å²	21.8	25%	0.252	10%	0.099	S	C	.	.	H	α-helix	trans	-63.1	-42.1	179.6	-82.5	-70.4	-163.7	155.5	0	112.2	K945 Y946 A947 L953 F972	K945-K949 WeakPolarHBondContact O-CB 3.48Å; K945-K949 WeakPolarHBondContact O-CG 3.08Å; K945-K949 PolarHBondContact O-N 3.47Å; K945-K949 VanDerWaalsContact O-N 3.1Å; Y946-K949 WeakPolarHBondContact O-CB 3.23Å; Y946-K949 PolarHBondContact O-N 2.9Å; Y946-K949 VanDerWaalsContact O-N 3.12Å; A947-K949 PolarHBondContact O-N 2.84Å; K949-L953 WeakPolarHBondContact O-CB 3.32Å; K949-L953 PolarHBondContact O-N 3.37Å; K949-F972 HydrophobicContact CB-CD2 3.89Å; K949-F972 HydrophobicContact CB-CE2 4.29Å
950	L	97	Very high	94.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-47.7	176.8	177.3	67.5	0	0	0	112.1	V761 R774 V775 Y946 A947 H948 F952 L953 S954 P962 F971 F972	V761-L950 HydrophobicContact CG2-CD2 3.94Å; R774-L950 WeakPolarHBondContact O-CD2 3.35Å; V775-L950 HydrophobicContact CG2-CD1 3.65Å; V775-L950 HydrophobicContact CG2-CD2 3.78Å; V775-L950 HydrophobicContact CG2-CG 3.51Å; Y946-L950 WeakPolarHBondContact O-CB 3.35Å; Y946-L950 PolarHBondContact O-N 3.11Å; A947-L950 PolarHBondContact O-N 3.49Å; H948-L950 PolarHBondContact O-N 3.48Å; L950-F952 VanDerWaalsContact C-N 3.35Å; L950-F952 PolarHBondContact O-N 3.24Å; L950-L953 PolarHBondContact O-N 3.43Å; L950-S954 WeakPolarHBondContact O-CB 3.27Å; L950-S954 PolarHBondContact O-N 3.32Å; L950-S954 PolarHBondContact O-OG 2.93Å; L950-P962 HydrophobicContact CD1-CG 4.49Å; L950-F971 HydrophobicContact CD1-CE1 4.32Å; L950-F971 HydrophobicContact CD1-CZ 3.78Å; L950-F972 HydrophobicContact CB-CD1 4.18Å; L950-F972 HydrophobicContact CB-CD2 4.08Å; L950-F972 HydrophobicContact CB-CE1 4.39Å; L950-F972 HydrophobicContact CB-CE2 4.3Å; L950-F972 HydrophobicContact CB-CG 4Å; L950-F972 HydrophobicContact CB-CZ 4.44Å; L950-F972 HydrophobicContact CD1-CB 4.12Å; L950-F972 HydrophobicContact CD1-CD1 3.61Å; L950-F972 HydrophobicContact CD1-CE1 4.22Å; L950-F972 HydrophobicContact CD1-CG 3.94Å; L950-F972 HydrophobicContact CG-CD1 4.38Å
951	A	94.2	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-44.6	177.3	0	0	0	0	0	111.1	A947 H948 S954 G955	A947-A951 WeakPolarHBondContact O-CB 3.48Å; A947-A951 PolarHBondContact O-N 3.07Å; H948-A951 PolarHBondContact O-N 3.14Å; A951-S954 PolarHBondContact O-N 2.84Å; A951-G955 PolarHBondContact O-N 3.34Å
952	F	93.3	Very high	94.1	Very high	65 Å²	65	28.5 Å²	28.5	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-62	-48.9	176.3	-179.6	-90.5	0	0	0	112	Y747 H948 L950 S954 H956 I957	Y747-F952 HydrophobicContact CD2-CD2 4.02Å; Y747-F952 AromaticContact CE2-CD2 3.63Å; Y747-F952 HydrophobicContact CE2-CD2 3.63Å; Y747-F952 HydrophobicContact CE2-CE2 4.1Å; H948-F952 WeakPolarHBondContact O-CB 3.28Å; H948-F952 PolarHBondContact O-N 3.32Å; L950-F952 VanDerWaalsContact C-N 3.35Å; L950-F952 PolarHBondContact O-N 3.24Å; F952-S954 VanDerWaalsContact C-N 3.28Å; F952-S954 PolarHBondContact O-N 3.18Å; F952-H956 HydrophobicContact CD2-CB 4.34Å; F952-H956 HydrophobicContact CE1-CB 4.34Å; F952-H956 HydrophobicContact CE2-CB 4.11Å; F952-H956 HydrophobicContact CZ-CB 4.1Å; F952-H956 AromaticContact CZ-CD2 3.59Å; F952-H956 AromaticContact CZ-CG 3.91Å; F952-H956 WeakPolarHBondContact O-CB 3.27Å; F952-H956 PolarHBondContact O-N 2.96Å; F952-I957 HydrophobicContact CD1-CD1 4.33Å; F952-I957 HydrophobicContact CE1-CD1 3.97Å
953	L	94.4	Very high	94	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	14%	0.139	C	C	.	.	I	π-helix	trans	-56.8	-46.3	177.1	175.4	64.4	0	0	0	110.8	K685 K949 L950 I957 L958 F971 F972	K685-L953 HydrophobicContact CD-CD1 4.44Å; K685-L953 HydrophobicContact CG-CD1 4.43Å; K949-L953 WeakPolarHBondContact O-CB 3.32Å; K949-L953 PolarHBondContact O-N 3.37Å; L950-L953 PolarHBondContact O-N 3.43Å; L953-I957 HydrophobicContact CD1-CB 4.1Å; L953-I957 HydrophobicContact CD1-CD1 3.84Å; L953-I957 HydrophobicContact CD1-CG2 4.22Å; L953-I957 WeakPolarHBondContact O-CA 3.38Å; L953-I957 WeakPolarHBondContact O-CB 3.4Å; L953-I957 PolarHBondContact O-N 3.09Å; L953-I957 VanDerWaalsContact O-N 3.08Å; L953-L958 HydrophobicContact CD1-CG 4.3Å; L953-L958 HydrophobicContact CD2-CD1 4.32Å; L953-L958 HydrophobicContact CG-CD1 3.98Å; L953-L958 HydrophobicContact CG-CG 4.08Å; L953-L958 PolarHBondContact O-N 3.24Å; L953-F971 HydrophobicContact CD2-CD2 4.47Å; L953-F971 HydrophobicContact CD2-CE2 4.14Å; L953-F972 HydrophobicContact CD2-CB 3.5Å; L953-F972 VanDerWaalsContact CD2-CB 3.5Å
954	S	93.9	Very high	93.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-74.9	-40.9	-173.6	-52.1	0	0	0	0	112.6	V775 L950 A951 F952 H959	V775-S954 WeakPolarHBondContact CG2-OG 3.23Å; L950-S954 WeakPolarHBondContact O-CB 3.27Å; L950-S954 PolarHBondContact O-N 3.32Å; L950-S954 PolarHBondContact O-OG 2.93Å; A951-S954 PolarHBondContact O-N 2.84Å; F952-S954 VanDerWaalsContact C-N 3.28Å; F952-S954 PolarHBondContact O-N 3.18Å; S954-H959 WeakPolarHBondContact O-CA 3.17Å; S954-H959 PolarHBondContact O-N 2.98Å
955	G	90.1	Very high	93.6	Very high	5 Å²	5	41 Å²	41	5%	0.052	20%	0.197	C	C	.	.	I	π-helix	trans	-78.7	-38.2	-179.8	0	0	0	0	0	114.3	A951 H959	A951-G955 PolarHBondContact O-N 3.34Å; G955-H959 PolarHBondContact O-CE1 3.3Å; G955-H959 PolarHBondContact O-ND1 2.88Å
956	H	86.8	Confident	93.5	Very high	66 Å²	66	38.4 Å²	38.4	31%	0.306	19%	0.185	S	C	.	.	I	π-helix	trans	-90.6	-34.8	-175.2	-168.4	64.3	0	0	0	113.4	Y747 F952 H959	Y747-H956 HydrophobicContact CE1-CB 4.22Å; Y747-H956 PolarHBondContact OH-ND1 2.99Å; F952-H956 HydrophobicContact CD2-CB 4.34Å; F952-H956 HydrophobicContact CE1-CB 4.34Å; F952-H956 HydrophobicContact CE2-CB 4.11Å; F952-H956 HydrophobicContact CZ-CB 4.1Å; F952-H956 AromaticContact CZ-CD2 3.59Å; F952-H956 AromaticContact CZ-CG 3.91Å; F952-H956 WeakPolarHBondContact O-CB 3.27Å; F952-H956 PolarHBondContact O-N 2.96Å; H956-H959 PolarHBondContact O-CE1 3.4Å; H956-H959 VanDerWaalsContact O-CE1 3.31Å; H956-H959 PolarHBondContact O-NE2 3.34Å
957	I	90.8	Very high	93.3	Very high	22 Å²	22	38.6 Å²	38.6	11%	0.113	19%	0.187	C	C	.	.	I	π-helix	trans	-112.8	-51.8	-169.3	-64	140.5	0	0	0	111.7	Y681 K685 K686 F952 L953	Y681-I957 HydrophobicContact CD1-CD1 4.47Å; Y681-I957 HydrophobicContact CD1-CG1 4.5Å; Y681-I957 HydrophobicContact CD1-CG2 4.27Å; Y681-I957 HydrophobicContact CE1-CD1 3.64Å; Y681-I957 HydrophobicContact CE1-CG1 4.09Å; Y681-I957 HydrophobicContact CE1-CG2 4.08Å; K685-I957 HydrophobicContact CB-CG2 4.07Å; K686-I957 WeakPolarHBondContact CE-O 3.4Å; F952-I957 HydrophobicContact CD1-CD1 4.33Å; F952-I957 HydrophobicContact CE1-CD1 3.97Å; L953-I957 HydrophobicContact CD1-CB 4.1Å; L953-I957 HydrophobicContact CD1-CD1 3.84Å; L953-I957 HydrophobicContact CD1-CG2 4.22Å; L953-I957 WeakPolarHBondContact O-CA 3.38Å; L953-I957 WeakPolarHBondContact O-CB 3.4Å; L953-I957 PolarHBondContact O-N 3.09Å; L953-I957 VanDerWaalsContact O-N 3.08Å
958	L	92.3	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-78.3	-42.1	-173.5	-56.5	179.2	0	0	0	112.5	K685 K686 C689 L953 H960 P962	K685-L958 HydrophobicContact CB-CD2 3.89Å; K685-L958 WeakPolarHBondContact O-CD2 3.23Å; K686-L958 VanDerWaalsContact CE-O 3.3Å; K686-L958 WeakPolarHBondContact CE-O 3.5Å; K686-L958 HydrophobicContact CG-CD2 4.16Å; C689-L958 HydrophobicContact CB-CD1 3.91Å; C689-L958 HydrophobicContact CB-CD2 4.02Å; L953-L958 HydrophobicContact CD1-CG 4.3Å; L953-L958 HydrophobicContact CD2-CD1 4.32Å; L953-L958 HydrophobicContact CG-CD1 3.98Å; L953-L958 HydrophobicContact CG-CG 4.08Å; L953-L958 PolarHBondContact O-N 3.24Å; L958-H960 PolarHBondContact O-CD2 2.95Å; L958-H960 PolarHBondContact O-N 3.32Å; L958-P962 HydrophobicContact CD1-CG 3.9Å
959	H	90.2	Very high	93.1	Very high	48 Å²	48	42 Å²	42	22%	0.222	20%	0.204	C	C	.	.			trans	54.2	21.5	-168.3	-50.1	-58.8	0	0	0	114	S954 G955 H956	S954-H959 WeakPolarHBondContact O-CA 3.17Å; S954-H959 PolarHBondContact O-N 2.98Å; G955-H959 PolarHBondContact O-CE1 3.3Å; G955-H959 PolarHBondContact O-ND1 2.88Å; H956-H959 PolarHBondContact O-CE1 3.4Å; H956-H959 VanDerWaalsContact O-CE1 3.31Å; H956-H959 PolarHBondContact O-NE2 3.34Å
960	H	90.2	Very high	93.1	Very high	110 Å²	110	39.5 Å²	39.5	51%	0.509	19%	0.193	S	C	.	.	S	Bend	trans	-145.3	159.4	179.4	-74.8	-78.1	0	0	0	109.8	V690 L958	V690-H960 HydrophobicContact CG1-CB 4.18Å; V690-H960 HydrophobicContact CG2-CB 4.02Å; L958-H960 PolarHBondContact O-CD2 2.95Å; L958-H960 PolarHBondContact O-N 3.32Å
961	E	91.6	Very high	93.1	Very high	89 Å²	89	39.6 Å²	39.6	42%	0.416	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-67.8	132.1	169.5	-68.1	-174.9	-168.1	0	0	109.6	R774 F777	R774-E961 IonicContact NH2-OE2 3.99Å; F777-E961 HydrophobicContact CD2-CG 3.64Å; F777-E961 HydrophobicContact CE2-CB 4.44Å; F777-E961 HydrophobicContact CE2-CG 3.64Å
962	P	94.9	Very high	93.1	Very high	14 Å²	14	40 Å²	40	9%	0.091	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-61.6	150.5	170.7	-20.7	32.6	0	0	0	111.7	C689 V775 L950 L958 F971	C689-P962 WeakPolarHBondContact O-CA 3.47Å; V775-P962 HydrophobicContact CG2-CG 4.13Å; L950-P962 HydrophobicContact CD1-CG 4.49Å; L958-P962 HydrophobicContact CD1-CG 3.9Å; P962-F971 HydrophobicContact CB-CE1 4.48Å; P962-F971 HydrophobicContact CB-CE2 3.77Å; P962-F971 HydrophobicContact CB-CZ 3.46Å; P962-F971 VanDerWaalsContact CB-CZ 3.46Å; P962-F971 HydrophobicContact CG-CE2 4Å; P962-F971 HydrophobicContact CG-CZ 3.69Å
963	A	95.1	Very high	93.2	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-62.5	141.2	177.7	0	0	0	0	0	112	C689 P693 Q965 L966	C689-A963 WeakPolarHBondContact O-CB 3.49Å; C689-A963 PolarHBondContact O-N 3.41Å; P693-A963 HydrophobicContact CB-CB 3.74Å; P693-A963 HydrophobicContact CG-CB 4.29Å; A963-Q965 PolarHBondContact O-N 2.98Å; A963-L966 PolarHBondContact O-N 3.16Å; A963-L966 VanDerWaalsContact O-N 3.12Å
964	I	92.8	Very high	93.1	Very high	109 Å²	109	39.1 Å²	39.1	56%	0.559	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-63.3	-29.2	-170.9	-55.5	-178.6	0	0	0	112.1	L966 C967	I964-L966 PolarHBondContact O-N 3.05Å; I964-L966 VanDerWaalsContact O-N 3.12Å; I964-C967 VanDerWaalsContact O-CB 3.27Å; I964-C967 WeakPolarHBondContact O-CB 3.42Å; I964-C967 PolarHBondContact O-N 3.23Å; I964-C967 PolarHBondContact O-SG 3.3Å; I964-C967 VanDerWaalsContact O-SG 3.39Å
965	Q	93.3	Very high	93.1	Very high	138 Å²	138	41.2 Å²	41.2	65%	0.645	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-60.6	-21.7	179	-61	85.5	-13.6	0	0	113	P693 A963	P693-Q965 HydrophobicContact CB-CB 4.2Å; P693-Q965 HydrophobicContact CG-CB 4.39Å; P693-Q965 HydrophobicContact CG-CG 4.35Å; A963-Q965 PolarHBondContact O-N 2.98Å
966	L	94.7	Very high	93.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-92.9	-8.4	-179.9	-60.8	175.8	0	0	0	113	C689 P693 P695 A963 I964 E968 N969 F971	C689-L966 HydrophobicContact CB-CD1 4.33Å; P693-L966 HydrophobicContact CB-CD1 4.4Å; P693-L966 HydrophobicContact CB-CG 4.19Å; P695-L966 HydrophobicContact CG-CD2 4.16Å; A963-L966 PolarHBondContact O-N 3.16Å; A963-L966 VanDerWaalsContact O-N 3.12Å; I964-L966 PolarHBondContact O-N 3.05Å; I964-L966 VanDerWaalsContact O-N 3.12Å; L966-E968 PolarHBondContact O-N 2.91Å; L966-E968 VanDerWaalsContact O-N 3.13Å; L966-N969 PolarHBondContact O-N 3.22Å; L966-F971 HydrophobicContact CB-CB 4.32Å; L966-F971 HydrophobicContact CB-CD1 3.56Å; L966-F971 HydrophobicContact CB-CD2 4.39Å; L966-F971 HydrophobicContact CB-CE1 3.89Å; L966-F971 HydrophobicContact CB-CG 3.84Å; L966-F971 HydrophobicContact CB-CZ 4.46Å; L966-F971 HydrophobicContact CD1-CD2 4.03Å; L966-F971 HydrophobicContact CD1-CE2 4.45Å; L966-F971 HydrophobicContact CD1-CG 4.14Å; L966-F971 HydrophobicContact CG-CG 4.49Å; L966-F971 WeakPolarHBondContact O-CD1 3.27Å
967	C	94.8	Very high	93.6	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.027	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28	-168.6	-74.5	0	0	0	0	114.4	Y772 S773 I964 N969	Y772-C967 CarbonylContact C-O 3.55Å; Y772-C967 VanDerWaalsContact CA-O 3.32Å; Y772-C967 WeakPolarHBondContact CA-O 3.44Å; Y772-C967 HydrophobicContact CD2-CB 3.93Å; Y772-C967 HydrophobicContact CE2-CB 3.54Å; S773-C967 PolarHBondContact N-O 2.9Å; S773-C967 VanDerWaalsContact O-CB 3.29Å; S773-C967 WeakPolarHBondContact O-CB 3.37Å; S773-C967 PolarHBondContact O-SG 3.36Å; S773-C967 PolarHBondContact OG-O 2.95Å; I964-C967 VanDerWaalsContact O-CB 3.27Å; I964-C967 WeakPolarHBondContact O-CB 3.42Å; I964-C967 PolarHBondContact O-N 3.23Å; I964-C967 PolarHBondContact O-SG 3.3Å; I964-C967 VanDerWaalsContact O-SG 3.39Å; C967-N969 VanDerWaalsContact C-N 3.31Å
968	E	94.4	Very high	93.8	Very high	92 Å²	92	43.1 Å²	43.1	43%	0.43	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.6	-179.7	-65.4	178.3	-143.9	0	0	113.8	W771 Y772 K798 L966	W771-E968 CarbonylContact O-C 3.59Å; W771-E968 VanDerWaalsContact O-C 3.31Å; W771-E968 WeakPolarHBondContact O-CA 3.34Å; W771-E968 VanDerWaalsContact O-O 3.05Å; Y772-E968 HydrophobicContact CD2-CG 4.03Å; K798-E968 HydrophobicContact CD-CG 4.11Å; K798-E968 WeakPolarHBondContact CD-OE1 3.47Å; K798-E968 WeakPolarHBondContact CE-OE1 3.32Å; K798-E968 WeakPolarHBondContact CE-OE2 3.32Å; K798-E968 HydrophobicContact CG-CG 4.49Å; K798-E968 IonicContact NZ-OE1 3.21Å; K798-E968 PolarHBondContact NZ-OE1 2.9Å; K798-E968 IonicContact NZ-OE2 3.83Å; K798-E968 PolarHBondContact NZ-OE2 3.49Å; L966-E968 PolarHBondContact O-N 2.91Å; L966-E968 VanDerWaalsContact O-N 3.13Å
969	N	94.1	Very high	93.9	Very high	37 Å²	37	45.9 Å²	45.9	20%	0.198	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	155.7	-176.7	-67.1	-19	0	0	0	111.1	K724 G726 L966 C967 F971	K724-N969 WeakPolarHBondContact O-CB 3.44Å; G726-N969 WeakPolarHBondContact CA-OD1 3.3Å; L966-N969 PolarHBondContact O-N 3.22Å; C967-N969 VanDerWaalsContact C-N 3.31Å; N969-F971 WeakPolarHBondContact O-CD1 3.43Å; N969-F971 PolarHBondContact O-N 3.38Å
970	L	96.5	Very high	94.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	47	173.3	-63.8	175.2	0	0	0	111.4	C723 W771 W932 Y946 F972 L973	C723-L970 HydrophobicContact CB-CB 4.4Å; C723-L970 HydrophobicContact CB-CD1 4.4Å; W771-L970 HydrophobicContact CB-CD2 3.93Å; W771-L970 HydrophobicContact CG-CD2 4.04Å; W932-L970 HydrophobicContact CE3-CD1 3.58Å; W932-L970 HydrophobicContact CZ3-CD1 3.83Å; Y946-L970 HydrophobicContact CD1-CD2 4.06Å; Y946-L970 HydrophobicContact CD2-CD2 4.48Å; Y946-L970 HydrophobicContact CE1-CD1 3.94Å; Y946-L970 HydrophobicContact CE1-CD2 4.16Å; Y946-L970 HydrophobicContact CG-CD2 4.23Å; L970-F972 HydrophobicContact CD2-CE1 4.07Å; L970-F972 HydrophobicContact CD2-CE2 4.2Å; L970-F972 HydrophobicContact CD2-CZ 3.48Å; L970-F972 VanDerWaalsContact CD2-CZ 3.48Å; L970-F972 PolarHBondContact O-N 3.39Å; L970-F972 VanDerWaalsContact O-N 3.08Å; L970-L973 HydrophobicContact CB-CD1 3.65Å; L970-L973 HydrophobicContact CB-CG 3.92Å; L970-L973 HydrophobicContact CD1-CD1 3.95Å; L970-L973 HydrophobicContact CG-CD1 4.39Å; L970-L973 WeakPolarHBondContact O-CB 3.34Å; L970-L973 PolarHBondContact O-N 3.35Å
971	F	96.3	Very high	94.5	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	-174.7	70.8	-86.2	0	0	0	113.8	C689 L950 L953 P962 L966 N969	C689-F971 HydrophobicContact CB-CE2 4.48Å; L950-F971 HydrophobicContact CD1-CE1 4.32Å; L950-F971 HydrophobicContact CD1-CZ 3.78Å; L953-F971 HydrophobicContact CD2-CD2 4.47Å; L953-F971 HydrophobicContact CD2-CE2 4.14Å; P962-F971 HydrophobicContact CB-CE1 4.48Å; P962-F971 HydrophobicContact CB-CE2 3.77Å; P962-F971 HydrophobicContact CB-CZ 3.46Å; P962-F971 VanDerWaalsContact CB-CZ 3.46Å; P962-F971 HydrophobicContact CG-CE2 4Å; P962-F971 HydrophobicContact CG-CZ 3.69Å; L966-F971 HydrophobicContact CB-CB 4.32Å; L966-F971 HydrophobicContact CB-CD1 3.56Å; L966-F971 HydrophobicContact CB-CD2 4.39Å; L966-F971 HydrophobicContact CB-CE1 3.89Å; L966-F971 HydrophobicContact CB-CG 3.84Å; L966-F971 HydrophobicContact CB-CZ 4.46Å; L966-F971 HydrophobicContact CD1-CD2 4.03Å; L966-F971 HydrophobicContact CD1-CE2 4.45Å; L966-F971 HydrophobicContact CD1-CG 4.14Å; L966-F971 HydrophobicContact CG-CG 4.49Å; L966-F971 WeakPolarHBondContact O-CD1 3.27Å; N969-F971 WeakPolarHBondContact O-CD1 3.43Å; N969-F971 PolarHBondContact O-N 3.38Å
972	F	95.6	Very high	94.7	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4	-175.8	54.4	-96.7	0	0	0	114.8	V761 Y946 K949 L950 L953 L970	V761-F972 HydrophobicContact CG2-CZ 4.28Å; Y946-F972 HydrophobicContact CD1-CE2 4.03Å; Y946-F972 HydrophobicContact CD1-CZ 4.46Å; Y946-F972 HydrophobicContact CG-CE2 4.37Å; Y946-F972 WeakPolarHBondContact O-CE2 3.23Å; K949-F972 HydrophobicContact CB-CD2 3.89Å; K949-F972 HydrophobicContact CB-CE2 4.29Å; L950-F972 HydrophobicContact CB-CD1 4.18Å; L950-F972 HydrophobicContact CB-CD2 4.08Å; L950-F972 HydrophobicContact CB-CE1 4.39Å; L950-F972 HydrophobicContact CB-CE2 4.3Å; L950-F972 HydrophobicContact CB-CG 4Å; L950-F972 HydrophobicContact CB-CZ 4.44Å; L950-F972 HydrophobicContact CD1-CB 4.12Å; L950-F972 HydrophobicContact CD1-CD1 3.61Å; L950-F972 HydrophobicContact CD1-CE1 4.22Å; L950-F972 HydrophobicContact CD1-CG 3.94Å; L950-F972 HydrophobicContact CG-CD1 4.38Å; L953-F972 HydrophobicContact CD2-CB 3.5Å; L953-F972 VanDerWaalsContact CD2-CB 3.5Å; L970-F972 HydrophobicContact CD2-CE1 4.07Å; L970-F972 HydrophobicContact CD2-CE2 4.2Å; L970-F972 HydrophobicContact CD2-CZ 3.48Å; L970-F972 VanDerWaalsContact CD2-CZ 3.48Å; L970-F972 PolarHBondContact O-N 3.39Å; L970-F972 VanDerWaalsContact O-N 3.08Å
973	L	94.1	Very high	94.7	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.068	20%	0.195	C	C	.	.			trans	-64.8	0	173.1	-69.8	-177.1	0	0	0	111.3	Q720 C723 K724 Y931 N933 Y946 L970	Q720-L973 HydrophobicContact CG-CB 4.22Å; Q720-L973 PolarHBondContact NE2-O 3.07Å; Q720-L973 PolarHBondContact NE2-OXT 3.25Å; C723-L973 HydrophobicContact CB-CD1 3.93Å; K724-L973 WeakPolarHBondContact CE-OXT 3.41Å; K724-L973 PolarHBondContact NZ-OXT 3.14Å; Y931-L973 HydrophobicContact CE2-CD2 4.07Å; N933-L973 WeakPolarHBondContact ND2-CD2 3.37Å; Y946-L973 HydrophobicContact CD1-CD2 3.83Å; Y946-L973 HydrophobicContact CE1-CD1 4.2Å; Y946-L973 HydrophobicContact CE1-CD2 3.78Å; Y946-L973 HydrophobicContact CE1-CG 4.47Å; L970-L973 HydrophobicContact CB-CD1 3.65Å; L970-L973 HydrophobicContact CB-CG 3.92Å; L970-L973 HydrophobicContact CD1-CD1 3.95Å; L970-L973 HydrophobicContact CG-CD1 4.39Å; L970-L973 WeakPolarHBondContact O-CB 3.34Å; L970-L973 PolarHBondContact O-N 3.35Å

Retrieved 973 of 973 residues in 169.6 ms (Link to these results)

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