A0A096N8S0_PAPAN Loading...

Complement component C8 beta chain

Component of the membrane attack complex (MAC), a multiprotein complex activated by the complement cascade, which inserts into a target cell membrane and forms a pore, leading to target cell membrane rupture and cell lysis. The MAC is initiated by proteolytic cleavage of C5 into complement C5b in response to the classical, alternative, lectin and GZMK complement pathways. The complement pathways consist in a cascade of proteins that leads to phagocytosis and breakdown of pathogens and signaling that strengthens the adaptive immune system. C8B, together with C8A and C8G, inserts into the target membrane, but does not form pores by itself. During MAC assembly, associates with C5b, C6 and C7 to form the C5b8 intermediate complex that inserts into the target membrane and traverses the bilayer increasing membrane rigidity.

AlphaFold DB (A0A096NF67), UniProt , Accession A0A096N8S0, Species PAPAN (Papio anubis, Olive baboon), Gene C8B, Length 591 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	34.5	Very low	231 Å²	231	156.6 Å²	156.6	100%	1.138	79%	0.794	S	S	*	*				0	133.3	0	-71.7	164.8	80.4	0	0	106.6
2	K	29	Very low	35	Very low	181 Å²	181	152.7 Å²	152.7	79%	0.787	78%	0.775	S	S	*	*			cis	174.8	145.2	-4.7	-112.6	178.8	176.8	177.4	0	101.3
3	N	30	Very low	35.6	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	76%	0.758	S	S	*	*			cis	-166.7	125.6	-20.4	-121.1	5.1	0	0	0	104
4	S	34	Very low	35.7	Very low	115 Å²	115	148.1 Å²	148.1	80%	0.804	75%	0.754	S	S	*	*			trans	-86.5	126.8	175.6	51.6	0	0	0	0	109.8
5	R	35.8	Very low	35.9	Very low	240 Å²	240	147 Å²	147	91%	0.906	75%	0.75	S	S	*	*			trans	-153.5	20.5	171.1	-124	179.3	-172.3	-171.2	1.2	116
6	T	34.8	Very low	36	Very low	136 Å²	136	147.9 Å²	147.9	83%	0.834	75%	0.747	S	S	*	*	S	Bend	trans	-125.7	4.9	-174.7	44.8	0	0	0	0	115.8
7	S	36.5	Very low	36	Very low	104 Å²	104	146.6 Å²	146.6	73%	0.727	74%	0.742	S	S	*	*	S	Bend	trans	-100.8	-10.5	177.6	82.1	0	0	0	0	115.9
8	A	37.1	Very low	36	Very low	66 Å²	66	146.2 Å²	146.2	55%	0.545	74%	0.742	S	S	.	*	H	α-helix	trans	-82.2	-21.9	-176.6	0	0	0	0	0	114.2
9	W	37	Very low	35.9	Very low	217 Å²	217	144.4 Å²	144.4	82%	0.822	74%	0.742	S	S	*	*	H	α-helix	trans	-87.7	-14.9	-175.8	-84.6	56.8	0	0	0	114.2
10	R	38.4	Very low	35.8	Very low	214 Å²	214	141.3 Å²	141.3	81%	0.808	74%	0.739	S	S	*	*	H	α-helix	trans	-86.7	-26.4	175.4	-80.8	-177.7	174.2	174.8	-2.5	113.5
11	A	38.2	Very low	35.7	Very low	66 Å²	66	138.3 Å²	138.3	55%	0.545	74%	0.735	S	S	.	*	H	α-helix	trans	-74.4	-26.3	177.2	0	0	0	0	0	113.4
12	L	40.4	Very low	35.9	Very low	109 Å²	109	135 Å²	135	57%	0.571	72%	0.721	S	S	*	*	H	α-helix	trans	-78.1	-20.2	178.6	-85.3	157.7	0	0	0	113.6
13	V	42.3	Very low	35.9	Very low	91 Å²	91	130 Å²	130	55%	0.552	72%	0.722	S	S	*	*	H	α-helix	trans	-86.6	-30.1	-178.6	178.9	0	0	0	0	111.8	L17	V13-L17 HydrophobicContact CG1-CD1 4.46Å
14	E	37.2	Very low	35.8	Very low	150 Å²	150	129 Å²	129	70%	0.701	73%	0.725	S	S	*	*	H	α-helix	trans	-76.2	-27.7	172.9	-75.4	-168.6	162.6	0	0	113.2
15	L	39.1	Very low	35.5	Very low	132 Å²	132	131.9 Å²	131.9	69%	0.691	73%	0.73	S	S	*	*	H	α-helix	trans	-73.7	-28.2	177.3	-132.8	88	0	0	0	113
16	F	37.2	Very low	35	Very low	162 Å²	162	125.4 Å²	125.4	71%	0.711	72%	0.722	S	S	*	*	H	α-helix	trans	-81.5	-21.6	179.5	-101.6	-86.6	0	0	0	113.6
17	L	36.3	Very low	34.5	Very low	125 Å²	125	126.6 Å²	126.6	65%	0.654	72%	0.722	S	S	*	*	H	α-helix	trans	-84.9	-16.6	178.9	-77.2	162.7	0	0	0	113.6	V13	V13-L17 HydrophobicContact CG1-CD1 4.46Å
18	L	35.4	Very low	34.3	Very low	140 Å²	140	127.4 Å²	127.4	73%	0.733	73%	0.725	S	S	*	*	S	Bend	trans	-82.3	-20.5	173.5	-95.2	150.1	0	0	0	113.6	A20	L18-A20 VanDerWaalsContact C-N 3.33Å
19	C	33.3	Very low	33.5	Very low	111 Å²	111	127.8 Å²	127.8	75%	0.75	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-10.1	174.3	-88.2	0	0	0	0	114.1
20	A	34.6	Very low	32.9	Very low	83 Å²	83	122.9 Å²	122.9	69%	0.686	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-7.1	-179.2	0	0	0	0	0	114.2	L18	L18-A20 VanDerWaalsContact C-N 3.33Å
21	A	33.8	Very low	32.3	Very low	79 Å²	79	123.6 Å²	123.6	65%	0.653	74%	0.737	S	S	*	*	S	Bend	trans	-93.8	-7	-176.6	0	0	0	0	0	114.8
22	L	33.1	Very low	31.6	Very low	160 Å²	160	124.6 Å²	124.6	84%	0.838	75%	0.754	S	S	*	*	S	Bend	trans	-132.4	88.1	178.6	-72.5	167.9	0	0	0	109.3
23	G	29.6	Very low	30.8	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	77%	0.769	S	S	*	*			trans	-63.6	139	-171.7	0	0	0	0	0	114.8
24	C	27.9	Very low	29.9	Very low	131 Å²	131	135.4 Å²	135.4	89%	0.885	79%	0.785	S	S	*	*			trans	-111.5	111.1	161.7	-70.3	0	0	0	0	109.2
25	L	26.7	Very low	29.3	Very low	176 Å²	176	136.6 Å²	136.6	92%	0.921	80%	0.795	S	S	*	*			trans	-98	122.9	155.6	-79.4	164.5	0	0	0	107.6
26	S	25.6	Very low	28.5	Very low	104 Å²	104	139 Å²	139	73%	0.727	80%	0.803	S	S	*	*			trans	-66.9	146.4	157	31.4	0	0	0	0	108.8
27	L	24.6	Very low	27.8	Very low	161 Å²	161	136.1 Å²	136.1	84%	0.843	80%	0.803	S	S	*	*			cis	-169	-172.7	24.3	-93.5	144.9	0	0	0	106.3
28	P	32	Very low	27.2	Very low	121 Å²	121	140.2 Å²	140.2	79%	0.786	82%	0.816	S	S	*	*			cis	-127.3	157.6	-36.1	33.8	-16.4	0	0	0	113.3
29	G	20.9	Very low	26.7	Very low	74 Å²	74	142 Å²	142	76%	0.763	82%	0.82	S	S	*	*			trans	143.2	124	155.6	0	0	0	0	0	117.6
30	S	24.1	Very low	26.4	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	82%	0.822	S	S	*	*			trans	81	130.4	155.6	-170.2	0	0	0	0	119.9
31	R	25.6	Very low	26	Very low	228 Å²	228	145.9 Å²	145.9	86%	0.86	83%	0.831	S	S	*	*			trans	75	91.7	165.9	-76.7	179.4	172.1	179.6	-2.1	118.4	E33	R31-E33 PolarHBondContact O-N 2.77Å
32	G	24.4	Very low	25.6	Very low	88 Å²	88	146.6 Å²	146.6	91%	0.907	84%	0.837	S	S	*	*			trans	-70	113.4	156.8	0	0	0	0	0	110.8
33	E	23.9	Very low	25.4	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-85.2	144.3	168.3	-78.8	-177.2	154.8	0	0	111.4	R31	R31-E33 PolarHBondContact O-N 2.77Å
34	R	23.7	Very low	25.4	Very low	239 Å²	239	148.9 Å²	148.9	90%	0.902	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-63.9	139.1	-178.6	-81.2	169.8	170.7	166.5	-2.9	111.7
35	L	22.6	Very low	25.5	Very low	174 Å²	174	147.6 Å²	147.6	91%	0.911	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.7	131.3	162	-124.1	91.5	0	0	0	110.2	S37	L35-S37 PolarHBondContact O-N 2.79Å
36	H	22.3	Very low	25.8	Very low	184 Å²	184	145 Å²	145	85%	0.852	81%	0.812	S	S	*	*			trans	-57.5	110.7	-179.7	-84.2	-91.3	0	0	0	112.3
37	S	23.2	Very low	26	Very low	101 Å²	101	148.7 Å²	148.7	71%	0.706	82%	0.815	S	S	*	*			trans	-64.4	124.8	156.5	50.6	0	0	0	0	108.9	L35 E39	L35-S37 PolarHBondContact O-N 2.79Å; S37-E39 PolarHBondContact O-N 2.93Å
38	F	24.8	Very low	26.5	Very low	211 Å²	211	145.2 Å²	145.2	93%	0.925	81%	0.81	S	S	*	*			trans	-60.8	105.4	170.6	-93.3	-87.7	0	0	0	109.9
39	E	23.6	Very low	26.8	Very low	176 Å²	176	149 Å²	149	82%	0.822	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.3	128.3	164	-77.8	178.7	141.2	0	0	109.1	S37	S37-E39 PolarHBondContact O-N 2.93Å
40	S	27	Very low	27.8	Very low	115 Å²	115	150.3 Å²	150.3	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-79.8	131.9	165.7	33.8	0	0	0	0	108.4	A42	S40-A42 PolarHBondContact O-N 3.06Å
41	N	25.9	Very low	28.6	Very low	162 Å²	162	155.2 Å²	155.2	87%	0.866	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-49.3	131.2	-176.7	-76.7	-37.4	0	0	0	113.3	V43	N41-V43 PolarHBondContact O-N 2.71Å
42	A	26.6	Very low	29.3	Very low	94 Å²	94	151 Å²	151	78%	0.777	80%	0.802	S	S	*	*			trans	-58.9	115.2	178	0	0	0	0	0	112.1	S40	S40-A42 PolarHBondContact O-N 3.06Å
43	V	27.7	Very low	30.3	Very low	120 Å²	120	151.3 Å²	151.3	73%	0.727	78%	0.781	S	S	*	*			trans	-90.8	110.4	148.9	176.2	0	0	0	0	106	N41 K45	N41-V43 PolarHBondContact O-N 2.71Å; V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 3.26Å
44	N	30	Very low	31.2	Very low	166 Å²	166	151.4 Å²	151.4	89%	0.888	77%	0.773	S	S	*	*			trans	-56.8	90.7	168.2	-92	-22.8	0	0	0	109.4
45	K	30.8	Very low	32.2	Very low	104 Å²	104	145.6 Å²	145.6	45%	0.452	76%	0.76	S	S	.	*			trans	-111.1	114.2	163.2	-116	171.9	-172.2	161.3	0	106.4	V43 F47 R416	V43-K45 VanDerWaalsContact C-N 3.26Å; V43-K45 PolarHBondContact O-N 3.26Å; K45-F47 VanDerWaalsContact C-N 3.25Å; K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 WeakPolarHBondContact O-CD2 3.34Å; K45-F47 PolarHBondContact O-N 3.42Å; K45-R416 VanDerWaalsContact CE-NH2 3.33Å
46	S	31.7	Very low	33.2	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	76%	0.758	S	S	*	*			trans	-53.4	94.1	161.8	55	0	0	0	0	108.5	A48	S46-A48 VanDerWaalsContact C-N 3.25Å; S46-A48 PolarHBondContact O-N 3.27Å
47	F	31.2	Very low	34.1	Very low	181 Å²	181	142.6 Å²	142.6	79%	0.794	76%	0.756	S	S	*	*			trans	-69.8	92.3	166.6	-80.1	-85.5	0	0	0	106.5	K45 K49	K45-F47 VanDerWaalsContact C-N 3.25Å; K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 WeakPolarHBondContact O-CD2 3.34Å; K45-F47 PolarHBondContact O-N 3.42Å; F47-K49 PolarHBondContact O-N 2.94Å
48	A	33.7	Very low	35.5	Very low	89 Å²	89	140.3 Å²	140.3	74%	0.736	74%	0.738	S	S	*	*			trans	-48.5	118.5	149.6	0	0	0	0	0	105.9	S46 S50	S46-A48 VanDerWaalsContact C-N 3.25Å; S46-A48 PolarHBondContact O-N 3.27Å; A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.38Å
49	K	39.6	Very low	37	Very low	200 Å²	200	136.3 Å²	136.3	87%	0.87	73%	0.731	S	S	*	*			trans	-52.9	90.7	177.7	-76.2	175.9	175.2	176	0	108.6	F47 R51	F47-K49 PolarHBondContact O-N 2.94Å; K49-R51 PolarHBondContact O-N 3.14Å
50	S	41.8	Very low	39.1	Very low	101 Å²	101	130 Å²	130	71%	0.706	70%	0.703	S	S	*	*			trans	-67.2	122.4	165.3	92	0	0	0	0	104.9	A48 Q52	A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.38Å; S50-Q52 PolarHBondContact O-N 2.95Å
51	R	39.8	Very low	41.7	Very low	218 Å²	218	131.5 Å²	131.5	82%	0.823	70%	0.699	S	S	*	*			trans	-63.9	104.5	-179.5	-71.4	179.4	177.3	-176.9	-1.3	107.4	K49 M53	K49-R51 PolarHBondContact O-N 3.14Å; R51-M53 HydrophobicContact CB-CG 4.47Å; R51-M53 PolarHBondContact O-N 2.75Å; R51-M53 VanDerWaalsContact O-N 3.14Å
52	Q	40.2	Very low	44.8	Very low	138 Å²	138	127.5 Å²	127.5	65%	0.645	68%	0.682	S	S	*	*			trans	-59.3	115.3	159.5	-75.4	-179.3	-24.8	0	0	106.5	S50	S50-Q52 PolarHBondContact O-N 2.95Å
53	M	46.3	Very low	48	Very low	95 Å²	95	124.7 Å²	124.7	47%	0.468	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-99	124.7	178.5	-74.9	-176.3	146.9	0	0	108	R51 K540	R51-M53 HydrophobicContact CB-CG 4.47Å; R51-M53 PolarHBondContact O-N 2.75Å; R51-M53 VanDerWaalsContact O-N 3.14Å; M53-K540 WeakPolarHBondContact SD-CE 3.48Å
54	R	43.6	Very low	51.2	Low	190 Å²	190	122.5 Å²	122.5	72%	0.717	64%	0.637	S	S	*	*	B	Isolated β-bridge	trans	-67.4	139.3	158.2	-90	-179.9	171	165.2	-3.5	107.7	V56	R54-V56 PolarHBondContact O-N 2.98Å
55	N	44.2	Very low	54.4	Low	118 Å²	118	115.4 Å²	115.4	63%	0.631	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.8	160	-154.9	10.8	0	0	0	106.6	D57	N55-D57 PolarHBondContact O-N 3.17Å
56	V	42.6	Very low	57.5	Low	142 Å²	142	114.7 Å²	114.7	86%	0.861	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	8.8	-160.8	173.1	0	0	0	0	113.3	R54	R54-V56 PolarHBondContact O-N 2.98Å
57	D	42.7	Very low	60.5	Low	152 Å²	152	110.4 Å²	110.4	81%	0.813	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144	37.8	-170	-147.6	12.7	0	0	0	115.6	N55	N55-D57 PolarHBondContact O-N 3.17Å
58	V	52.2	Low	63.5	Low	54 Å²	54	102.4 Å²	102.4	33%	0.327	53%	0.533	S	S	.	.			trans	-139.8	90.2	173.2	-165.6	0	0	0	0	111.2	L60 Q509	V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.21Å; V58-L60 PolarHBondContact O-N 3.29Å; V58-Q509 VanDerWaalsContact CG1-NE2 3.33Å
59	T	55	Low	66.5	Low	126 Å²	126	103.2 Å²	103.2	77%	0.773	53%	0.533	S	S	*	.			trans	-66.2	106.7	146.6	45.3	0	0	0	0	106.7	M61	T59-M61 PolarHBondContact O-N 2.81Å
60	L	67.8	Low	69.2	Low	44 Å²	44	97.9 Å²	97.9	23%	0.23	51%	0.507	C	S	.	.			trans	-60.6	110	170.7	-75.2	175.3	0	0	0	107.7	V58 P62 L532 A533 E535	V58-L60 HydrophobicContact CG1-CD2 3.84Å; V58-L60 HydrophobicContact CG1-CG 4.21Å; V58-L60 PolarHBondContact O-N 3.29Å; L60-P62 WeakPolarHBondContact O-CD 3.3Å; L60-L532 HydrophobicContact CD1-CB 4.42Å; L60-A533 HydrophobicContact CD1-CB 3.68Å; L60-A533 HydrophobicContact CD2-CB 3.42Å; L60-A533 VanDerWaalsContact CD2-CB 3.42Å; L60-A533 HydrophobicContact CG-CB 4.21Å; L60-E535 HydrophobicContact CD1-CG 3.9Å; L60-E535 WeakPolarHBondContact CD1-OE1 3.29Å; L60-E535 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E535 HydrophobicContact CG-CG 4.39Å
61	M	82.5	Confident	71.8	Confident	146 Å²	146	94.5 Å²	94.5	72%	0.719	48%	0.484	S	S	*	.			trans	-77.5	124.8	175.2	-60.1	-170.5	89.5	0	0	107.4	T59 I63	T59-M61 PolarHBondContact O-N 2.81Å; M61-I63 PolarHBondContact O-N 2.79Å
62	P	91.6	Very high	74.6	Confident	79 Å²	79	89.1 Å²	89.1	51%	0.513	48%	0.48	S	S	.	.			trans	-53.9	135.1	169.4	-22.7	33.7	0	0	0	109.2	L60	L60-P62 WeakPolarHBondContact O-CD 3.3Å
63	I	93.6	Very high	77.2	Confident	35 Å²	35	85.9 Å²	85.9	18%	0.179	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-105.9	108.4	176.4	-59.6	179.6	0	0	0	106.2	M61 R91 S93 Q94 F95 G97 A506	M61-I63 PolarHBondContact O-N 2.79Å; I63-R91 HydrophobicContact CG2-CG 3.84Å; I63-R91 VanDerWaalsContact CG2-NE 3.29Å; I63-S93 CarbonylContact O-C 3.4Å; I63-S93 WeakPolarHBondContact O-CA 3.19Å; I63-Q94 HydrophobicContact CB-CB 4.07Å; I63-Q94 HydrophobicContact CD1-CB 4.28Å; I63-Q94 PolarHBondContact N-O 3.01Å; I63-Q94 PolarHBondContact O-N 3.15Å; I63-F95 HydrophobicContact CD1-CD2 4.1Å; I63-F95 HydrophobicContact CD1-CE2 4.09Å; I63-F95 HydrophobicContact CG1-CD2 4.29Å; I63-G97 WeakPolarHBondContact O-CA 3.04Å; I63-A506 HydrophobicContact CD1-CB 3.47Å; I63-A506 VanDerWaalsContact CD1-CB 3.47Å
64	D	95.4	Very high	79.6	Confident	74 Å²	74	82.6 Å²	82.6	40%	0.396	45%	0.447	S	S	.	.			trans	-75.8	147	177.9	-57.5	-31	0	0	0	110.2	R91 G97 E98	D64-R91 PolarHBondContact O-NE 2.95Å; D64-R91 VanDerWaalsContact O-NE 3.07Å; D64-R91 PolarHBondContact O-NH2 3.41Å; D64-G97 WeakPolarHBondContact OD1-CA 3.48Å; D64-E98 HydrophobicContact CB-CB 4.4Å; D64-E98 PolarHBondContact OD1-N 2.79Å
65	C	96.2	Very high	82.1	Confident	17 Å²	17	77 Å²	77	12%	0.115	43%	0.434	C	S	.	.			trans	-69.2	132.3	176.7	-175.7	0	0	0	0	110.7	L89 R91 E98 C100	C65-L89 VanDerWaalsContact SG-CD1 3.59Å; C65-R91 CarbonylContact C-O 3.57Å; C65-R91 WeakPolarHBondContact CA-O 3.34Å; C65-E98 WeakPolarHBondContact CB-O 3.47Å; C65-E98 PolarHBondContact N-O 3.34Å; C65-C100 HydrophobicContact CB-CB 3.94Å; C65-C100 WeakPolarHBondContact CB-SG 3.16Å; C65-C100 WeakPolarHBondContact SG-CB 2.97Å; C65-C100 CovalentContact SG-SG 2.02Å; C65-C100 PolarHBondContact SG-SG 2.89Å
66	E	95.3	Very high	84.4	Confident	88 Å²	88	72.7 Å²	72.7	41%	0.411	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.2	176.3	-69.3	175.4	-179	0	0	109.4	L90 R91	E66-L90 HydrophobicContact CB-CB 4.48Å; E66-L90 WeakPolarHBondContact O-CB 3.32Å; E66-L90 PolarHBondContact O-N 2.93Å; E66-R91 HydrophobicContact CB-CB 4.09Å; E66-R91 PolarHBondContact N-O 3.28Å; E66-R91 PolarHBondContact O-N 2.77Å; E66-R91 IonicContact OE1-CZ 3.8Å; E66-R91 IonicContact OE1-NH1 3.31Å; E66-R91 PolarHBondContact OE1-NH1 3.27Å; E66-R91 IonicContact OE1-NH2 3.94Å; E66-R91 PolarHBondContact OE1-NH2 3.32Å; E66-R91 IonicContact OE2-CZ 3.54Å; E66-R91 IonicContact OE2-NH1 3.82Å; E66-R91 PolarHBondContact OE2-NH1 3.13Å; E66-R91 VanDerWaalsContact OE2-NH1 3.16Å; E66-R91 IonicContact OE2-NH2 3.12Å
67	L	94.6	Very high	86.8	Confident	32 Å²	32	66 Å²	66	17%	0.168	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	157.4	167.1	-58.8	-166.5	0	0	0	110	A87 Y88 L89 C100 F102 D104	L67-A87 HydrophobicContact CB-CB 4.07Å; L67-A87 HydrophobicContact CD1-CB 4.24Å; L67-Y88 WeakPolarHBondContact CA-O 3.31Å; L67-L89 HydrophobicContact CD2-CB 4.29Å; L67-L89 HydrophobicContact CD2-CD1 3.64Å; L67-C100 HydrophobicContact CD2-CB 4.48Å; L67-C100 HydrophobicContact CG-CB 4.46Å; L67-F102 HydrophobicContact CB-CE2 4.36Å; L67-F102 HydrophobicContact CD1-CD2 4.06Å; L67-F102 HydrophobicContact CD1-CE2 3.39Å; L67-F102 HydrophobicContact CD1-CZ 3.99Å; L67-F102 HydrophobicContact CG-CE2 3.9Å; L67-F102 HydrophobicContact CG-CZ 4.02Å; L67-D104 HydrophobicContact CD1-CB 3.9Å
68	S	95.1	Very high	89	Confident	13 Å²	13	59.9 Å²	59.9	9%	0.091	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.3	166.9	170.7	73.3	0	0	0	0	111.8	A87 Y88	S68-A87 WeakPolarHBondContact OG-CA 3.42Å; S68-Y88 VanDerWaalsContact CB-CZ 3.48Å; S68-Y88 PolarHBondContact N-O 3.47Å; S68-Y88 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y88 VanDerWaalsContact OG-CE1 3.31Å; S68-Y88 WeakPolarHBondContact OG-CE1 3.34Å; S68-Y88 PolarHBondContact OG-N 3.41Å
69	S	96.1	Very high	90.8	Very high	105 Å²	105	58.8 Å²	58.8	73%	0.734	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58.2	155.3	159.1	55	0	0	0	0	110.5
70	W	96.8	Very high	92.5	Very high	88 Å²	88	55.3 Å²	55.3	33%	0.333	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.3	175.7	-70.5	109.4	0	0	0	111.7	R85 A87 E106	W70-R85 HydrophobicContact CD2-CG 4.46Å; W70-R85 HydrophobicContact CE3-CG 3.87Å; W70-R85 HydrophobicContact CZ3-CG 4.41Å; W70-A87 HydrophobicContact CE3-CB 4.26Å; W70-A87 HydrophobicContact CZ3-CB 4.32Å; W70-E106 HydrophobicContact CH2-CG 3.67Å; W70-E106 HydrophobicContact CZ2-CG 4.05Å; W70-E106 VanDerWaalsContact CZ2-OE1 3.25Å; W70-E106 WeakPolarHBondContact CZ2-OE1 3.47Å; W70-E106 HydrophobicContact CZ3-CB 4.47Å; W70-E106 HydrophobicContact CZ3-CG 4.08Å
71	S	96.9	Very high	93.7	Very high	30 Å²	30	59.4 Å²	59.4	21%	0.21	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.2	160.1	167.4	74.6	0	0	0	0	111	R85 Y86	S71-R85 WeakPolarHBondContact OG-CA 2.98Å; S71-R85 WeakPolarHBondContact OG-CB 3.38Å; S71-Y86 WeakPolarHBondContact CB-O 3.37Å; S71-Y86 PolarHBondContact N-O 3.24Å; S71-Y86 PolarHBondContact OG-N 3.33Å; S71-Y86 PolarHBondContact OG-O 3.13Å
72	S	97.1	Very high	94.3	Very high	106 Å²	106	55.8 Å²	55.8	74%	0.741	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-56.1	142.5	164.3	53.3	0	0	0	0	110	T74	S72-T74 PolarHBondContact O-N 3.34Å
73	W	96.6	Very high	94.5	Very high	70 Å²	70	56.5 Å²	56.5	27%	0.265	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-58.2	134.2	171.4	-77.7	106.7	0	0	0	110.5	R83 R85 E106 E108	W73-R83 HydrophobicContact CD2-CG 4.37Å; W73-R83 HydrophobicContact CE3-CB 4.16Å; W73-R83 HydrophobicContact CE3-CG 3.6Å; W73-R83 HydrophobicContact CZ3-CG 3.9Å; W73-R85 HydrophobicContact CD2-CB 4.2Å; W73-R85 HydrophobicContact CD2-CG 4.09Å; W73-R85 VanDerWaalsContact CE2-CD 3.42Å; W73-R85 HydrophobicContact CE3-CB 4.02Å; W73-R85 HydrophobicContact CE3-CG 3.96Å; W73-R85 HydrophobicContact CH2-CG 3.74Å; W73-R85 VanDerWaalsContact CZ2-CD 3.44Å; W73-R85 HydrophobicContact CZ2-CG 3.9Å; W73-R85 HydrophobicContact CZ3-CB 4.26Å; W73-R85 HydrophobicContact CZ3-CG 3.78Å; W73-E106 HydrophobicContact CH2-CB 4.04Å; W73-E108 HydrophobicContact CH2-CB 3.99Å; W73-E108 HydrophobicContact CH2-CG 3.46Å; W73-E108 VanDerWaalsContact CH2-CG 3.46Å; W73-E108 HydrophobicContact CZ2-CG 4.01Å; W73-E108 VanDerWaalsContact CZ2-OE1 3.31Å; W73-E108 WeakPolarHBondContact CZ2-OE1 3.46Å; W73-E108 WeakPolarHBondContact CZ2-OE2 3.34Å; W73-E108 HydrophobicContact CZ3-CB 4.09Å; W73-E108 HydrophobicContact CZ3-CG 4.08Å
74	T	96.4	Very high	94.7	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.16	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-64.7	160.9	169.4	66.5	0	0	0	0	110.4	S72 Y84	S72-T74 PolarHBondContact O-N 3.34Å; T74-Y84 WeakPolarHBondContact CG2-O 3.43Å; T74-Y84 PolarHBondContact N-O 3.49Å; T74-Y84 PolarHBondContact OG1-N 3.28Å
75	T	94.7	Very high	94.7	Very high	73 Å²	73	54.3 Å²	54.3	45%	0.448	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-57.9	156.1	161	46.3	0	0	0	0	110.2	D77 E327	T75-D77 PolarHBondContact O-N 3.23Å; T75-E327 WeakPolarHBondContact OG1-CG 3.13Å; T75-E327 PolarHBondContact OG1-OE1 3.36Å
76	C	94.1	Very high	94.8	Very high	26 Å²	26	55.3 Å²	55.3	18%	0.176	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.7	119.4	178.4	-174	0	0	0	0	110.2	P78 C110	C76-P78 WeakPolarHBondContact O-CD 3.42Å; C76-C110 WeakPolarHBondContact CA-SG 3.36Å; C76-C110 HydrophobicContact CB-CB 3.81Å; C76-C110 WeakPolarHBondContact CB-SG 3.41Å; C76-C110 VanDerWaalsContact SG-C 3.54Å; C76-C110 WeakPolarHBondContact SG-CB 3.37Å; C76-C110 CovalentContact SG-SG 2.01Å; C76-C110 PolarHBondContact SG-SG 3.37Å
77	D	92.6	Very high	94.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.8	124	179.8	-173.6	-66.3	0	0	0	110.3	T75 C79 Q80 K81 K82 Y84 P325 L326	T75-D77 PolarHBondContact O-N 3.23Å; D77-C79 PolarHBondContact O-N 2.88Å; D77-C79 WeakPolarHBondContact OD1-CA 3.41Å; D77-C79 WeakPolarHBondContact OD1-CB 3.27Å; D77-C79 PolarHBondContact OD1-N 2.89Å; D77-Q80 HydrophobicContact CB-CB 4.24Å; D77-Q80 PolarHBondContact OD1-N 3.02Å; D77-K81 VanDerWaalsContact O-CA 3.31Å; D77-K81 WeakPolarHBondContact O-CA 3.43Å; D77-K81 PolarHBondContact O-N 3.49Å; D77-K82 WeakPolarHBondContact CB-O 3.32Å; D77-K82 PolarHBondContact N-O 2.98Å; D77-Y84 HydrophobicContact CB-CE2 4.25Å; D77-P325 WeakPolarHBondContact OD2-CA 3.43Å; D77-P325 WeakPolarHBondContact OD2-CB 3.25Å; D77-L326 PolarHBondContact OD2-N 3.33Å
78	P	89.6	Confident	94.7	Very high	24 Å²	24	55.5 Å²	55.5	16%	0.156	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.3	-178.9	-25.5	35.4	0	0	0	114.8	C76 R114 C116	C76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-R114 HydrophobicContact CB-CB 3.88Å; P78-R114 HydrophobicContact CG-CB 3.81Å; P78-C116 HydrophobicContact CB-CB 4.08Å
79	C	88.1	Confident	94.6	Very high	31 Å²	31	55.7 Å²	55.7	21%	0.209	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-46.7	-173	-60.9	0	0	0	0	112.1	D77 C116	D77-C79 PolarHBondContact O-N 2.88Å; D77-C79 WeakPolarHBondContact OD1-CA 3.41Å; D77-C79 WeakPolarHBondContact OD1-CB 3.27Å; D77-C79 PolarHBondContact OD1-N 2.89Å; C79-C116 WeakPolarHBondContact CA-SG 2.99Å; C79-C116 HydrophobicContact CB-CB 3.95Å; C79-C116 WeakPolarHBondContact CB-SG 3.49Å; C79-C116 WeakPolarHBondContact SG-CB 3.33Å; C79-C116 CovalentContact SG-SG 2.02Å; C79-C116 PolarHBondContact SG-SG 3.05Å
80	Q	90.6	Very high	94.3	Very high	54 Å²	54	54.9 Å²	54.9	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-17	-178.7	-56.6	-58.3	-32.9	0	0	112.8	D77 K82 Y84 K322	D77-Q80 HydrophobicContact CB-CB 4.24Å; D77-Q80 PolarHBondContact OD1-N 3.02Å; Q80-K82 HydrophobicContact CB-CB 4.35Å; Q80-K82 PolarHBondContact O-N 3.45Å; Q80-Y84 VanDerWaalsContact CB-OH 3.31Å; Q80-Y84 WeakPolarHBondContact CB-OH 3.22Å; Q80-K322 PolarHBondContact NE2-O 3.47Å
81	K	93	Very high	94.2	Very high	129 Å²	129	54.8 Å²	54.8	56%	0.561	27%	0.267	S	S	*	.			trans	53.4	37	-174	-56.1	-177.1	179.7	-179.8	0	112.3	D77 C110	D77-K81 VanDerWaalsContact O-CA 3.31Å; D77-K81 WeakPolarHBondContact O-CA 3.43Å; D77-K81 PolarHBondContact O-N 3.49Å; K81-C110 PolarHBondContact O-N 2.84Å; K81-C110 VanDerWaalsContact O-O 3.08Å
82	K	95.4	Very high	94.1	Very high	71 Å²	71	53.4 Å²	53.4	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.3	-178	-74	164.5	-176.1	-69.4	0	109.8	D77 Q80 Y84 V107 E108 D109 C110	D77-K82 WeakPolarHBondContact CB-O 3.32Å; D77-K82 PolarHBondContact N-O 2.98Å; Q80-K82 HydrophobicContact CB-CB 4.35Å; Q80-K82 PolarHBondContact O-N 3.45Å; K82-Y84 HydrophobicContact CB-CE1 4.45Å; K82-Y84 HydrophobicContact CB-CE2 4.06Å; K82-Y84 WeakPolarHBondContact O-CE2 3.4Å; K82-V107 HydrophobicContact CB-CG1 3.89Å; K82-V107 HydrophobicContact CD-CG1 3.75Å; K82-V107 HydrophobicContact CG-CG1 3.99Å; K82-E108 CarbonylContact C-O 3.57Å; K82-E108 WeakPolarHBondContact CA-O 3.49Å; K82-D109 IonicContact NZ-OD1 3.44Å; K82-D109 PolarHBondContact NZ-OD1 3Å; K82-C110 WeakPolarHBondContact CA-SG 3.42Å; K82-C110 PolarHBondContact N-SG 3.29Å; K82-C110 VanDerWaalsContact N-SG 3.36Å
83	R	96	Very high	94	Very high	93 Å²	93	48.8 Å²	48.8	35%	0.351	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154.5	168.4	62.8	173.9	-175.7	-172	0.1	109.3	W73 E108 C110	W73-R83 HydrophobicContact CD2-CG 4.37Å; W73-R83 HydrophobicContact CE3-CB 4.16Å; W73-R83 HydrophobicContact CE3-CG 3.6Å; W73-R83 HydrophobicContact CZ3-CG 3.9Å; R83-E108 HydrophobicContact CG-CB 3.91Å; R83-E108 IonicContact CZ-OE2 3.56Å; R83-E108 PolarHBondContact N-O 3.31Å; R83-E108 IonicContact NE-OE2 3.53Å; R83-E108 PolarHBondContact NE-OE2 2.94Å; R83-E108 IonicContact NH2-OE2 3.51Å; R83-E108 PolarHBondContact NH2-OE2 3.11Å; R83-E108 PolarHBondContact O-N 3.1Å; R83-C110 HydrophobicContact CG-CB 4.47Å; R83-C110 PolarHBondContact N-SG 3.49Å
84	Y	97.2	Very high	93.9	Very high	8 Å²	8	45.7 Å²	45.7	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151	-169.1	-52.9	-95.5	0	0	0	110.5	T74 D77 Q80 K82 E106 V107 P325 S329 E332	T74-Y84 WeakPolarHBondContact CG2-O 3.43Å; T74-Y84 PolarHBondContact N-O 3.49Å; T74-Y84 PolarHBondContact OG1-N 3.28Å; D77-Y84 HydrophobicContact CB-CE2 4.25Å; Q80-Y84 VanDerWaalsContact CB-OH 3.31Å; Q80-Y84 WeakPolarHBondContact CB-OH 3.22Å; K82-Y84 HydrophobicContact CB-CE1 4.45Å; K82-Y84 HydrophobicContact CB-CE2 4.06Å; K82-Y84 WeakPolarHBondContact O-CE2 3.4Å; Y84-E106 WeakPolarHBondContact CA-O 3.42Å; Y84-V107 HydrophobicContact CD1-CB 4.41Å; Y84-V107 HydrophobicContact CD1-CG1 3.99Å; Y84-V107 HydrophobicContact CD1-CG2 3.84Å; Y84-V107 HydrophobicContact CE1-CG1 3.71Å; Y84-V107 HydrophobicContact CE1-CG2 4.06Å; Y84-P325 HydrophobicContact CD2-CB 4.02Å; Y84-P325 HydrophobicContact CD2-CG 4.19Å; Y84-P325 HydrophobicContact CE1-CG 4.49Å; Y84-P325 HydrophobicContact CE2-CB 3.51Å; Y84-P325 HydrophobicContact CE2-CG 3.98Å; Y84-S329 WeakPolarHBondContact CB-OG 3.25Å; Y84-E332 HydrophobicContact CD1-CG 3.79Å; Y84-E332 HydrophobicContact CE1-CG 3.83Å
85	R	96.9	Very high	93.7	Very high	55 Å²	55	45.7 Å²	45.7	21%	0.208	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.3	162.7	64.1	178.6	-178.1	172.2	2.2	109.3	W70 S71 W73 K105 E106	W70-R85 HydrophobicContact CD2-CG 4.46Å; W70-R85 HydrophobicContact CE3-CG 3.87Å; W70-R85 HydrophobicContact CZ3-CG 4.41Å; S71-R85 WeakPolarHBondContact OG-CA 2.98Å; S71-R85 WeakPolarHBondContact OG-CB 3.38Å; W73-R85 HydrophobicContact CD2-CB 4.2Å; W73-R85 HydrophobicContact CD2-CG 4.09Å; W73-R85 VanDerWaalsContact CE2-CD 3.42Å; W73-R85 HydrophobicContact CE3-CB 4.02Å; W73-R85 HydrophobicContact CE3-CG 3.96Å; W73-R85 HydrophobicContact CH2-CG 3.74Å; W73-R85 VanDerWaalsContact CZ2-CD 3.44Å; W73-R85 HydrophobicContact CZ2-CG 3.9Å; W73-R85 HydrophobicContact CZ3-CB 4.26Å; W73-R85 HydrophobicContact CZ3-CG 3.78Å; R85-K105 WeakPolarHBondContact O-CA 3.41Å; R85-E106 HydrophobicContact CG-CB 3.92Å; R85-E106 IonicContact CZ-OE2 3.75Å; R85-E106 PolarHBondContact N-O 2.58Å; R85-E106 VanDerWaalsContact N-O 3.13Å; R85-E106 IonicContact NE-OE2 3.79Å; R85-E106 PolarHBondContact NE-OE2 3.15Å; R85-E106 VanDerWaalsContact NH2-CD 3.29Å; R85-E106 IonicContact NH2-OE1 2.7Å; R85-E106 PolarHBondContact NH2-OE1 3.03Å; R85-E106 IonicContact NH2-OE2 2.92Å; R85-E106 PolarHBondContact NH2-OE2 3.21Å; R85-E106 PolarHBondContact O-N 3.36Å
86	Y	96.8	Very high	93.5	Very high	39 Å²	39	49.7 Å²	49.7	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.9	-177.5	62.9	-87.6	0	0	0	111.3	S71 D104 Y330	S71-Y86 WeakPolarHBondContact CB-O 3.37Å; S71-Y86 PolarHBondContact N-O 3.24Å; S71-Y86 PolarHBondContact OG-N 3.33Å; S71-Y86 PolarHBondContact OG-O 3.13Å; Y86-D104 WeakPolarHBondContact CA-O 3.49Å; Y86-Y330 AromaticContact CD2-CD1 3.84Å; Y86-Y330 HydrophobicContact CD2-CD1 3.84Å; Y86-Y330 HydrophobicContact CD2-CG 4.43Å; Y86-Y330 AromaticContact CE2-CD1 3.77Å; Y86-Y330 HydrophobicContact CE2-CD1 3.77Å; Y86-Y330 HydrophobicContact CE2-CG 4.13Å; Y86-Y330 VanDerWaalsContact CZ-CB 3.46Å
87	A	95.9	Very high	93.4	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	22%	0.22	C	C	.	.			trans	-121.5	149.9	167.1	0	0	0	0	0	108.8	L67 S68 W70 D104 R334	L67-A87 HydrophobicContact CB-CB 4.07Å; L67-A87 HydrophobicContact CD1-CB 4.24Å; S68-A87 WeakPolarHBondContact OG-CA 3.42Å; W70-A87 HydrophobicContact CE3-CB 4.26Å; W70-A87 HydrophobicContact CZ3-CB 4.32Å; A87-D104 PolarHBondContact N-O 2.93Å; A87-R334 PolarHBondContact O-NH1 2.98Å; A87-R334 PolarHBondContact O-NH2 2.8Å
88	Y	92.5	Very high	93.5	Very high	122 Å²	122	55.3 Å²	55.3	48%	0.478	25%	0.25	S	S	.	.			trans	-108.8	154.1	174.8	57.8	-87.4	0	0	0	110.2	L67 S68 L90	L67-Y88 WeakPolarHBondContact CA-O 3.31Å; S68-Y88 VanDerWaalsContact CB-CZ 3.48Å; S68-Y88 PolarHBondContact N-O 3.47Å; S68-Y88 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y88 VanDerWaalsContact OG-CE1 3.31Å; S68-Y88 WeakPolarHBondContact OG-CE1 3.34Å; S68-Y88 PolarHBondContact OG-N 3.41Å; Y88-L90 HydrophobicContact CD2-CD2 3.99Å; Y88-L90 HydrophobicContact CE2-CD2 3.33Å; Y88-L90 HydrophobicContact CE2-CG 4.22Å; Y88-L90 PolarHBondContact O-N 3.07Å
89	L	92.3	Very high	93.8	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.1	178.8	-173	66	0	0	0	109.6	C65 L67 R91 P92 E499 L516	C65-L89 VanDerWaalsContact SG-CD1 3.59Å; L67-L89 HydrophobicContact CD2-CB 4.29Å; L67-L89 HydrophobicContact CD2-CD1 3.64Å; L89-R91 WeakPolarHBondContact CD1-O 3.37Å; L89-P92 HydrophobicContact CD2-CB 4.14Å; L89-E499 HydrophobicContact CB-CG 4.45Å; L89-L516 HydrophobicContact CD2-CD1 4.46Å
90	L	91.4	Very high	94	Very high	88 Å²	88	56.2 Å²	56.2	46%	0.461	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-45.9	171.9	-69.8	176.9	0	0	0	110.6	E66 Y88	E66-L90 HydrophobicContact CB-CB 4.48Å; E66-L90 WeakPolarHBondContact O-CB 3.32Å; E66-L90 PolarHBondContact O-N 2.93Å; Y88-L90 HydrophobicContact CD2-CD2 3.99Å; Y88-L90 HydrophobicContact CE2-CD2 3.33Å; Y88-L90 HydrophobicContact CE2-CG 4.22Å; Y88-L90 PolarHBondContact O-N 3.07Å
91	R	93.2	Very high	94	Very high	85 Å²	85	60.3 Å²	60.3	32%	0.321	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	124	-179.6	-164.6	174	69.6	-148.1	2.9	110.4	I63 D64 C65 E66 L89	I63-R91 HydrophobicContact CG2-CG 3.84Å; I63-R91 VanDerWaalsContact CG2-NE 3.29Å; D64-R91 PolarHBondContact O-NE 2.95Å; D64-R91 VanDerWaalsContact O-NE 3.07Å; D64-R91 PolarHBondContact O-NH2 3.41Å; C65-R91 CarbonylContact C-O 3.57Å; C65-R91 WeakPolarHBondContact CA-O 3.34Å; E66-R91 HydrophobicContact CB-CB 4.09Å; E66-R91 PolarHBondContact N-O 3.28Å; E66-R91 PolarHBondContact O-N 2.77Å; E66-R91 IonicContact OE1-CZ 3.8Å; E66-R91 IonicContact OE1-NH1 3.31Å; E66-R91 PolarHBondContact OE1-NH1 3.27Å; E66-R91 IonicContact OE1-NH2 3.94Å; E66-R91 PolarHBondContact OE1-NH2 3.32Å; E66-R91 IonicContact OE2-CZ 3.54Å; E66-R91 IonicContact OE2-NH1 3.82Å; E66-R91 PolarHBondContact OE2-NH1 3.13Å; E66-R91 VanDerWaalsContact OE2-NH1 3.16Å; E66-R91 IonicContact OE2-NH2 3.12Å; L89-R91 WeakPolarHBondContact CD1-O 3.37Å
92	P	95.1	Very high	93.9	Very high	2 Å²	2	60 Å²	60	1%	0.013	28%	0.279	C	S	.	.			trans	-72.1	151.2	174.2	27.8	-31.7	0	0	0	111.6	L89 H504 L516 S519 C521	L89-P92 HydrophobicContact CD2-CB 4.14Å; P92-H504 WeakPolarHBondContact CD-O 3.44Å; P92-H504 HydrophobicContact CG-CB 4.42Å; P92-H504 WeakPolarHBondContact CG-O 3.49Å; P92-L516 HydrophobicContact CB-CD1 3.88Å; P92-L516 HydrophobicContact CG-CD1 4.34Å; P92-S519 CarbonylContact C-O 3.53Å; P92-S519 VanDerWaalsContact CA-O 3.22Å; P92-S519 WeakPolarHBondContact CA-O 3.16Å; P92-S519 WeakPolarHBondContact CB-O 3.36Å; P92-C521 VanDerWaalsContact CB-SG 3.5Å; P92-C521 HydrophobicContact CG-CB 4.48Å; P92-C521 WeakPolarHBondContact CG-SG 3.38Å
93	S	95.6	Very high	93.7	Very high	9 Å²	9	60 Å²	60	6%	0.063	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-68.4	136.6	170	55.8	0	0	0	0	110.6	I63 S519 R520 C521	I63-S93 CarbonylContact O-C 3.4Å; I63-S93 WeakPolarHBondContact O-CA 3.19Å; S93-S519 PolarHBondContact N-O 2.93Å; S93-S519 PolarHBondContact OG-O 3.13Å; S93-R520 WeakPolarHBondContact O-CA 3.26Å; S93-C521 PolarHBondContact O-N 2.85Å
94	Q	94.6	Very high	93.6	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.023	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-146.9	155.3	178.3	-162.1	167.8	-9.9	0	0	111	I63 H96 G97 A506 C521	I63-Q94 HydrophobicContact CB-CB 4.07Å; I63-Q94 HydrophobicContact CD1-CB 4.28Å; I63-Q94 PolarHBondContact N-O 3.01Å; I63-Q94 PolarHBondContact O-N 3.15Å; Q94-H96 VanDerWaalsContact C-N 3.33Å; Q94-H96 PolarHBondContact O-N 3.33Å; Q94-G97 PolarHBondContact O-N 2.93Å; Q94-A506 PolarHBondContact NE2-O 3.43Å; Q94-A506 VanDerWaalsContact OE1-CB 3.29Å; Q94-A506 PolarHBondContact OE1-O 3.16Å; Q94-C521 HydrophobicContact CB-CB 4.3Å; Q94-C521 HydrophobicContact CG-CB 4.02Å
95	F	92.8	Very high	93.6	Very high	25 Å²	25	58.2 Å²	58.2	11%	0.11	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	43.2	177.5	-46.7	-48.7	0	0	0	114.2	I63 G97 L532 A533	I63-F95 HydrophobicContact CD1-CD2 4.1Å; I63-F95 HydrophobicContact CD1-CE2 4.09Å; I63-F95 HydrophobicContact CG1-CD2 4.29Å; F95-G97 VanDerWaalsContact C-N 3.26Å; F95-G97 PolarHBondContact O-N 2.72Å; F95-L532 HydrophobicContact CD1-CB 4.02Å; F95-A533 HydrophobicContact CD1-CB 3.85Å; F95-A533 VanDerWaalsContact CE1-CA 3.46Å; F95-A533 HydrophobicContact CE1-CB 3.23Å; F95-A533 HydrophobicContact CE2-CB 4.46Å; F95-A533 HydrophobicContact CZ-CB 3.57Å
96	H	90.4	Very high	93.5	Very high	158 Å²	158	58.5 Å²	58.5	73%	0.731	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	24.2	-175.3	-61.6	-55.7	0	0	0	115.5	Q94 L532	Q94-H96 VanDerWaalsContact C-N 3.33Å; Q94-H96 PolarHBondContact O-N 3.33Å; H96-L532 WeakPolarHBondContact CD2-CD1 3.31Å; H96-L532 VanDerWaalsContact NE2-CD2 3.33Å; H96-L532 WeakPolarHBondContact NE2-CD2 3.33Å
97	G	92.1	Very high	93.5	Very high	8 Å²	8	59.2 Å²	59.2	8%	0.082	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.4	162.7	162.3	0	0	0	0	0	112.2	I63 D64 Q94 F95	I63-G97 WeakPolarHBondContact O-CA 3.04Å; D64-G97 WeakPolarHBondContact OD1-CA 3.48Å; Q94-G97 PolarHBondContact O-N 2.93Å; F95-G97 VanDerWaalsContact C-N 3.26Å; F95-G97 PolarHBondContact O-N 2.72Å
98	E	94.3	Very high	93.6	Very high	136 Å²	136	62.4 Å²	62.4	64%	0.636	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-63.8	124.3	-177.7	-168.4	173.8	176.3	0	0	110.6	D64 C65	D64-E98 HydrophobicContact CB-CB 4.4Å; D64-E98 PolarHBondContact OD1-N 2.79Å; C65-E98 WeakPolarHBondContact CB-O 3.47Å; C65-E98 PolarHBondContact N-O 3.34Å
99	P	94.9	Very high	93.7	Very high	57 Å²	57	62.7 Å²	62.7	37%	0.37	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-76.8	151.8	178.5	30.8	-34.2	0	0	0	111.7	N101	P99-N101 WeakPolarHBondContact CG-OD1 3.42Å; P99-N101 PolarHBondContact O-N 3.14Å
100	C	93.3	Very high	93.8	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.122	32%	0.324	C	S	.	.			trans	-71.2	90.6	169.4	-68.3	0	0	0	0	110.1	C65 L67 F102	C65-C100 HydrophobicContact CB-CB 3.94Å; C65-C100 WeakPolarHBondContact CB-SG 3.16Å; C65-C100 WeakPolarHBondContact SG-CB 2.97Å; C65-C100 CovalentContact SG-SG 2.02Å; C65-C100 PolarHBondContact SG-SG 2.89Å; L67-C100 HydrophobicContact CD2-CB 4.48Å; L67-C100 HydrophobicContact CG-CB 4.46Å; C100-F102 VanDerWaalsContact C-N 3.32Å; C100-F102 HydrophobicContact CB-CE1 4.24Å; C100-F102 HydrophobicContact CB-CZ 4.42Å
101	N	91.4	Very high	93.9	Very high	139 Å²	139	65.6 Å²	65.6	74%	0.743	34%	0.342	S	S	*	.			trans	-85.5	-2	179.5	-70.1	-25.3	0	0	0	114	P99	P99-N101 WeakPolarHBondContact CG-OD1 3.42Å; P99-N101 PolarHBondContact O-N 3.14Å
102	F	89.4	Confident	93.9	Very high	124 Å²	124	63 Å²	63	54%	0.544	34%	0.336	S	S	.	.	S	Bend	trans	-97.9	158.5	178.6	52.5	-84.9	0	0	0	111.2	L67 C100 D104	L67-F102 HydrophobicContact CB-CE2 4.36Å; L67-F102 HydrophobicContact CD1-CD2 4.06Å; L67-F102 HydrophobicContact CD1-CE2 3.39Å; L67-F102 HydrophobicContact CD1-CZ 3.99Å; L67-F102 HydrophobicContact CG-CE2 3.9Å; L67-F102 HydrophobicContact CG-CZ 4.02Å; C100-F102 VanDerWaalsContact C-N 3.32Å; C100-F102 HydrophobicContact CB-CE1 4.24Å; C100-F102 HydrophobicContact CB-CZ 4.42Å; F102-D104 PolarHBondContact O-N 3.04Å
103	S	92.5	Very high	93.6	Very high	70 Å²	70	70.4 Å²	70.4	49%	0.49	38%	0.376	S	S	.	.			trans	-63.4	134.9	178.1	-175.7	0	0	0	0	110.6	K105	S103-K105 WeakPolarHBondContact CB-O 3.41Å; S103-K105 PolarHBondContact O-N 3.21Å; S103-K105 PolarHBondContact OG-N 3.37Å; S103-K105 PolarHBondContact OG-O 3.43Å
104	D	93.7	Very high	93.3	Very high	23 Å²	23	77 Å²	77	12%	0.123	40%	0.399	C	S	.	.	S	Bend	trans	-86.3	9.1	175.8	59.2	12.6	0	0	0	112.4	L67 Y86 A87 F102 R334 R338	L67-D104 HydrophobicContact CD1-CB 3.9Å; Y86-D104 WeakPolarHBondContact CA-O 3.49Å; A87-D104 PolarHBondContact N-O 2.93Å; F102-D104 PolarHBondContact O-N 3.04Å; D104-R334 VanDerWaalsContact CB-NH2 3.31Å; D104-R334 PolarHBondContact O-NH2 3.07Å; D104-R334 IonicContact OD1-CZ 2.84Å; D104-R334 IonicContact OD1-NE 3.85Å; D104-R334 IonicContact OD1-NH2 3.75Å; D104-R334 PolarHBondContact OD1-NH2 3.48Å; D104-R334 IonicContact OD2-CZ 3.11Å; D104-R334 IonicContact OD2-NE 3.85Å; D104-R334 PolarHBondContact OD2-NE 2.84Å; D104-R334 IonicContact OD2-NH1 2.83Å; D104-R334 IonicContact OD2-NH2 3.7Å; D104-R334 PolarHBondContact OD2-NH2 3.34Å; D104-R334 VanDerWaalsContact OD2-NH2 3.13Å; D104-R338 IonicContact OD2-CZ 2.68Å; D104-R338 IonicContact OD2-NH1 3.16Å; D104-R338 PolarHBondContact OD2-NH1 3.26Å; D104-R338 IonicContact OD2-NH2 2.89Å; D104-R338 PolarHBondContact OD2-NH2 3.37Å; D104-R338 VanDerWaalsContact OD2-NH2 3.16Å
105	K	95.6	Very high	93.1	Very high	40 Å²	40	82.7 Å²	82.7	17%	0.174	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.3	173.9	72.1	-175.8	-176.2	75.5	0	112.3	R85 S103 E332 D335	R85-K105 WeakPolarHBondContact O-CA 3.41Å; S103-K105 WeakPolarHBondContact CB-O 3.41Å; S103-K105 PolarHBondContact O-N 3.21Å; S103-K105 PolarHBondContact OG-N 3.37Å; S103-K105 PolarHBondContact OG-O 3.43Å; K105-E332 WeakPolarHBondContact CE-OE1 3.25Å; K105-E332 IonicContact NZ-OE1 3.07Å; K105-E332 PolarHBondContact NZ-OE1 3.16Å; K105-E332 IonicContact NZ-OE2 2.71Å; K105-D335 WeakPolarHBondContact CD-OD2 3.04Å; K105-D335 WeakPolarHBondContact CE-OD2 3.03Å
106	E	96.8	Very high	92.7	Very high	61 Å²	61	83.4 Å²	83.4	29%	0.285	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.9	170.9	-73.9	179.8	-165.6	0	0	111.2	W70 W73 Y84 R85	W70-E106 HydrophobicContact CH2-CG 3.67Å; W70-E106 HydrophobicContact CZ2-CG 4.05Å; W70-E106 VanDerWaalsContact CZ2-OE1 3.25Å; W70-E106 WeakPolarHBondContact CZ2-OE1 3.47Å; W70-E106 HydrophobicContact CZ3-CB 4.47Å; W70-E106 HydrophobicContact CZ3-CG 4.08Å; W73-E106 HydrophobicContact CH2-CB 4.04Å; Y84-E106 WeakPolarHBondContact CA-O 3.42Å; R85-E106 HydrophobicContact CG-CB 3.92Å; R85-E106 IonicContact CZ-OE2 3.75Å; R85-E106 PolarHBondContact N-O 2.58Å; R85-E106 VanDerWaalsContact N-O 3.13Å; R85-E106 IonicContact NE-OE2 3.79Å; R85-E106 PolarHBondContact NE-OE2 3.15Å; R85-E106 VanDerWaalsContact NH2-CD 3.29Å; R85-E106 IonicContact NH2-OE1 2.7Å; R85-E106 PolarHBondContact NH2-OE1 3.03Å; R85-E106 IonicContact NH2-OE2 2.92Å; R85-E106 PolarHBondContact NH2-OE2 3.21Å; R85-E106 PolarHBondContact O-N 3.36Å
107	V	96.5	Very high	92.3	Very high	55 Å²	55	84.3 Å²	84.3	33%	0.333	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.9	-178.3	-170.9	0	0	0	0	108.2	K82 Y84	K82-V107 HydrophobicContact CB-CG1 3.89Å; K82-V107 HydrophobicContact CD-CG1 3.75Å; K82-V107 HydrophobicContact CG-CG1 3.99Å; Y84-V107 HydrophobicContact CD1-CB 4.41Å; Y84-V107 HydrophobicContact CD1-CG1 3.99Å; Y84-V107 HydrophobicContact CD1-CG2 3.84Å; Y84-V107 HydrophobicContact CE1-CG1 3.71Å; Y84-V107 HydrophobicContact CE1-CG2 4.06Å
108	E	96.6	Very high	91.3	Very high	69 Å²	69	88 Å²	88	32%	0.322	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.3	177.2	-79.3	179.6	175.4	0	0	110.7	W73 K82 R83	W73-E108 HydrophobicContact CH2-CB 3.99Å; W73-E108 HydrophobicContact CH2-CG 3.46Å; W73-E108 VanDerWaalsContact CH2-CG 3.46Å; W73-E108 HydrophobicContact CZ2-CG 4.01Å; W73-E108 VanDerWaalsContact CZ2-OE1 3.31Å; W73-E108 WeakPolarHBondContact CZ2-OE1 3.46Å; W73-E108 WeakPolarHBondContact CZ2-OE2 3.34Å; W73-E108 HydrophobicContact CZ3-CB 4.09Å; W73-E108 HydrophobicContact CZ3-CG 4.08Å; K82-E108 CarbonylContact C-O 3.57Å; K82-E108 WeakPolarHBondContact CA-O 3.49Å; R83-E108 HydrophobicContact CG-CB 3.91Å; R83-E108 IonicContact CZ-OE2 3.56Å; R83-E108 PolarHBondContact N-O 3.31Å; R83-E108 IonicContact NE-OE2 3.53Å; R83-E108 PolarHBondContact NE-OE2 2.94Å; R83-E108 IonicContact NH2-OE2 3.51Å; R83-E108 PolarHBondContact NH2-OE2 3.11Å; R83-E108 PolarHBondContact O-N 3.1Å
109	D	96.3	Very high	90	Very high	128 Å²	128	89.2 Å²	89.2	68%	0.684	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.4	172.2	-62.8	-33.7	0	0	0	110.3	K82	K82-D109 IonicContact NZ-OD1 3.44Å; K82-D109 PolarHBondContact NZ-OD1 3Å
110	C	93.8	Very high	89.2	Confident	25 Å²	25	89.4 Å²	89.4	17%	0.169	47%	0.471	C	S	.	.			trans	-145.6	156.5	-179.6	61.7	0	0	0	0	111.6	C76 K81 K82 R83	C76-C110 WeakPolarHBondContact CA-SG 3.36Å; C76-C110 HydrophobicContact CB-CB 3.81Å; C76-C110 WeakPolarHBondContact CB-SG 3.41Å; C76-C110 VanDerWaalsContact SG-C 3.54Å; C76-C110 WeakPolarHBondContact SG-CB 3.37Å; C76-C110 CovalentContact SG-SG 2.01Å; C76-C110 PolarHBondContact SG-SG 3.37Å; K81-C110 PolarHBondContact O-N 2.84Å; K81-C110 VanDerWaalsContact O-O 3.08Å; K82-C110 WeakPolarHBondContact CA-SG 3.42Å; K82-C110 PolarHBondContact N-SG 3.29Å; K82-C110 VanDerWaalsContact N-SG 3.36Å; R83-C110 HydrophobicContact CG-CB 4.47Å; R83-C110 PolarHBondContact N-SG 3.49Å
111	V	93.7	Very high	88.8	Confident	140 Å²	140	98.5 Å²	98.5	85%	0.848	50%	0.503	S	S	*	.			trans	-103	128.8	180	-175.5	0	0	0	0	108.9
112	T	92	Very high	88.6	Confident	30 Å²	30	93.9 Å²	93.9	18%	0.184	48%	0.481	C	S	.	.			trans	-143.5	139.8	178.1	178.9	0	0	0	0	110.1	R114	T112-R114 PolarHBondContact OG1-N 3.33Å
113	N	90.1	Very high	88.5	Confident	159 Å²	159	95.7 Å²	95.7	85%	0.85	49%	0.491	S	S	*	.			trans	-100.9	7.5	177.6	-64.7	-22.1	0	0	0	111.9
114	R	89.6	Confident	88.4	Confident	148 Å²	148	93.2 Å²	93.2	56%	0.558	48%	0.477	S	S	*	.			trans	-70.2	133.8	178.1	-69.5	-176.2	176.8	-173.1	-0.7	109.8	P78 T112 C116	P78-R114 HydrophobicContact CB-CB 3.88Å; P78-R114 HydrophobicContact CG-CB 3.81Å; T112-R114 PolarHBondContact OG1-N 3.33Å; R114-C116 PolarHBondContact O-N 3.13Å
115	P	88.6	Confident	88.4	Confident	124 Å²	124	95.3 Å²	95.3	81%	0.805	49%	0.485	S	S	*	.			trans	-68.3	133.5	179.5	28	-33.7	0	0	0	110.5
116	C	85.8	Confident	88.3	Confident	39 Å²	39	97.3 Å²	97.3	26%	0.264	50%	0.5	S	S	.	.			trans	-118.2	131.3	171.2	169.6	0	0	0	0	110.3	P78 C79 R114 S118	P78-C116 HydrophobicContact CB-CB 4.08Å; C79-C116 WeakPolarHBondContact CA-SG 2.99Å; C79-C116 HydrophobicContact CB-CB 3.95Å; C79-C116 WeakPolarHBondContact CB-SG 3.49Å; C79-C116 WeakPolarHBondContact SG-CB 3.33Å; C79-C116 CovalentContact SG-SG 2.02Å; C79-C116 PolarHBondContact SG-SG 3.05Å; R114-C116 PolarHBondContact O-N 3.13Å; C116-S118 PolarHBondContact O-N 3.19Å; C116-S118 VanDerWaalsContact SG-CB 3.53Å; C116-S118 PolarHBondContact SG-N 3.31Å
117	R	81.6	Confident	88.1	Confident	178 Å²	178	94.5 Å²	94.5	67%	0.672	49%	0.487	S	S	*	.			trans	-95	72.5	168.2	-166.9	178.1	-176	-175.5	0.8	109.5	A480 Y481	R117-A480 VanDerWaalsContact O-CB 3.22Å; R117-A480 WeakPolarHBondContact O-CB 3.34Å; R117-Y481 HydrophobicContact CB-CE2 4.36Å; R117-Y481 PolarHBondContact N-OH 2.73Å; R117-Y481 VanDerWaalsContact N-OH 3.11Å; R117-Y481 WeakPolarHBondContact O-CE2 3.25Å
118	S	69.9	Low	87.9	Confident	85 Å²	85	96.1 Å²	96.1	59%	0.594	51%	0.506	S	S	*	.			trans	-75.5	-22.8	-173.7	51.5	0	0	0	0	113.9	C116	C116-S118 PolarHBondContact O-N 3.19Å; C116-S118 VanDerWaalsContact SG-CB 3.53Å; C116-S118 PolarHBondContact SG-N 3.31Å
119	Q	68.2	Low	87.7	Confident	162 Å²	162	100 Å²	100	76%	0.757	52%	0.524	S	S	*	.			trans	-106.2	114.9	-167.5	-152.3	167	2.7	0	0	112.3
120	V	78.5	Confident	87.4	Confident	60 Å²	60	94.1 Å²	94.1	36%	0.364	49%	0.493	S	S	.	.			trans	-69.3	131	164.3	-178.2	0	0	0	0	107.9	C122 T477 A480	V120-C122 PolarHBondContact O-N 3.4Å; V120-T477 WeakPolarHBondContact CG1-O 3.5Å; V120-A480 HydrophobicContact CG2-CB 4.45Å
121	R	83.4	Confident	87.2	Confident	209 Å²	209	94.3 Å²	94.3	79%	0.789	50%	0.5	S	S	*	.			trans	-66	128.6	177.7	-73.2	-175.6	178.8	177.3	-0.8	109.4
122	C	87.3	Confident	87.1	Confident	42 Å²	42	87.9 Å²	87.9	28%	0.284	46%	0.46	S	S	.	.			trans	-104.2	116.5	172.8	176.4	0	0	0	0	109.3	V120 G124 V126 C133	V120-C122 PolarHBondContact O-N 3.4Å; C122-G124 VanDerWaalsContact C-N 3.27Å; C122-G124 PolarHBondContact SG-N 3.31Å; C122-G124 VanDerWaalsContact SG-N 3.44Å; C122-V126 HydrophobicContact CB-CG2 3.81Å; C122-C133 WeakPolarHBondContact CA-SG 3.38Å; C122-C133 HydrophobicContact CB-CB 3.78Å; C122-C133 WeakPolarHBondContact CB-SG 3.16Å; C122-C133 VanDerWaalsContact SG-CA 3.57Å; C122-C133 WeakPolarHBondContact SG-CB 3.49Å; C122-C133 CovalentContact SG-SG 2.03Å; C122-C133 PolarHBondContact SG-SG 2.02Å
123	E	88.4	Confident	87.1	Confident	162 Å²	162	89.5 Å²	89.5	76%	0.757	47%	0.472	S	S	*	.	S	Bend	trans	-75.6	-20.8	173.9	-60.5	-61.4	155.8	0	0	112
124	G	90.6	Very high	87.2	Confident	19 Å²	19	82 Å²	82	20%	0.196	43%	0.432	C	S	.	.	S	Bend	trans	-91.4	-153	-174.7	0	0	0	0	0	115.1	C122 V134	C122-G124 VanDerWaalsContact C-N 3.27Å; C122-G124 PolarHBondContact SG-N 3.31Å; C122-G124 VanDerWaalsContact SG-N 3.44Å; G124-V134 CarbonylContact C-O 3.51Å; G124-V134 VanDerWaalsContact CA-O 3.27Å; G124-V134 WeakPolarHBondContact CA-O 3.2Å
125	F	92.9	Very high	87.4	Confident	67 Å²	67	79.1 Å²	79.1	29%	0.294	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.3	168.7	174.7	-103	0	0	0	109.5	V134 L139	F125-V134 PolarHBondContact N-O 3.38Å; F125-V134 PolarHBondContact O-N 2.92Å; F125-L139 HydrophobicContact CB-CD1 4.24Å; F125-L139 HydrophobicContact CB-CD2 3.98Å; F125-L139 HydrophobicContact CB-CG 4.48Å; F125-L139 HydrophobicContact CD1-CD2 3.66Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å; F125-L139 HydrophobicContact CD2-CD2 4.27Å; F125-L139 HydrophobicContact CE1-CD2 4.15Å; F125-L139 HydrophobicContact CG-CD1 4.4Å; F125-L139 HydrophobicContact CG-CD2 3.72Å
126	V	93.6	Very high	87.5	Confident	81 Å²	81	81.3 Å²	81.3	49%	0.491	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.3	176.5	-179.2	0	0	0	0	108.6	C122 R132	C122-V126 HydrophobicContact CB-CG2 3.81Å; V126-R132 WeakPolarHBondContact CA-O 3.42Å
127	C	93.4	Very high	87.7	Confident	2 Å²	2	90 Å²	90	1%	0.014	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-65.2	142.3	178.7	-52.1	0	0	0	0	111.5	T130 G131 R132 V134 C146 S150	C127-T130 WeakPolarHBondContact CB-OG1 3.37Å; C127-G131 WeakPolarHBondContact O-CA 3.35Å; C127-G131 PolarHBondContact O-N 2.97Å; C127-R132 HydrophobicContact CB-CB 4.37Å; C127-R132 PolarHBondContact N-O 2.76Å; C127-R132 PolarHBondContact SG-O 3.46Å; C127-V134 VanDerWaalsContact SG-CG2 3.54Å; C127-C146 HydrophobicContact CB-CB 3.55Å; C127-C146 WeakPolarHBondContact CB-SG 3.24Å; C127-C146 WeakPolarHBondContact SG-CA 3.34Å; C127-C146 WeakPolarHBondContact SG-CB 3.5Å; C127-C146 CovalentContact SG-SG 2.03Å; C127-C146 PolarHBondContact SG-SG 2.93Å; C127-S150 WeakPolarHBondContact CA-OG 3.48Å
128	A	91.8	Very high	88.3	Confident	89 Å²	89	82.1 Å²	82.1	74%	0.736	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-48.1	-166.9	0	0	0	0	0	113.4	D148 S150	A128-D148 PolarHBondContact N-OD2 2.69Å; A128-S150 PolarHBondContact N-OG 3.37Å
129	Q	92	Very high	89.4	Confident	150 Å²	150	80.8 Å²	80.8	70%	0.701	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-41.3	-176.9	-172.8	64.1	22.2	0	0	111.6	D148 Q319	Q129-D148 WeakPolarHBondContact CA-OD2 3.16Å; Q129-D148 HydrophobicContact CB-CB 4.03Å; Q129-D148 VanDerWaalsContact CB-OD2 3.26Å; Q129-D148 WeakPolarHBondContact CB-OD2 3.15Å; Q129-D148 PolarHBondContact N-OD2 2.89Å; Q129-Q319 PolarHBondContact O-NE2 3.41Å
130	T	91.3	Very high	90.6	Very high	6 Å²	6	74.3 Å²	74.3	4%	0.037	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26.4	-175.4	63.2	0	0	0	0	113	C127 R132 C146 D148 Y315 Q319	C127-T130 WeakPolarHBondContact CB-OG1 3.37Å; T130-R132 PolarHBondContact O-N 3.32Å; T130-C146 WeakPolarHBondContact CB-O 3.47Å; T130-C146 WeakPolarHBondContact CG2-O 3.47Å; T130-C146 PolarHBondContact OG1-O 3.05Å; T130-D148 HydrophobicContact CG2-CB 4.09Å; T130-D148 PolarHBondContact N-OD2 2.95Å; T130-Y315 HydrophobicContact CG2-CD1 4.35Å; T130-Y315 HydrophobicContact CG2-CD2 3.74Å; T130-Y315 HydrophobicContact CG2-CE2 4.46Å; T130-Y315 HydrophobicContact CG2-CG 3.68Å; T130-Q319 VanDerWaalsContact CA-NE2 3.34Å; T130-Q319 PolarHBondContact O-NE2 3.39Å; T130-Q319 VanDerWaalsContact O-NE2 3.08Å
131	G	89	Confident	91.2	Very high	29 Å²	29	72 Å²	72	30%	0.299	36%	0.362	S	S	.	.			trans	65	23.8	-175.4	0	0	0	0	0	113.3	C127 K322	C127-G131 WeakPolarHBondContact O-CA 3.35Å; C127-G131 PolarHBondContact O-N 2.97Å; G131-K322 PolarHBondContact O-NZ 3.2Å
132	R	91.1	Very high	91.4	Very high	4 Å²	4	64 Å²	64	2%	0.015	34%	0.344	C	S	.	.			trans	-77.7	145.2	173.4	179.8	-178.1	-74.5	172.2	-5.3	109.9	V126 C127 T130 V134 D145 D192 M312 L313	V126-R132 WeakPolarHBondContact CA-O 3.42Å; C127-R132 HydrophobicContact CB-CB 4.37Å; C127-R132 PolarHBondContact N-O 2.76Å; C127-R132 PolarHBondContact SG-O 3.46Å; T130-R132 PolarHBondContact O-N 3.32Å; R132-V134 HydrophobicContact CG-CG2 3.91Å; R132-D145 PolarHBondContact NH1-O 3.32Å; R132-D192 IonicContact CZ-OD2 2.72Å; R132-D192 IonicContact NH1-OD2 3.59Å; R132-D192 PolarHBondContact NH1-OD2 3.33Å; R132-D192 IonicContact NH2-OD2 2.78Å; R132-D192 PolarHBondContact NH2-OD2 3.31Å; R132-M312 HydrophobicContact CG-SD 4.38Å; R132-L313 PolarHBondContact NH2-O 3.05Å
133	C	91.6	Very high	91.6	Very high	64 Å²	64	63 Å²	63	43%	0.432	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109	175.1	-176	0	0	0	0	109.7	C122	C122-C133 WeakPolarHBondContact CA-SG 3.38Å; C122-C133 HydrophobicContact CB-CB 3.78Å; C122-C133 WeakPolarHBondContact CB-SG 3.16Å; C122-C133 VanDerWaalsContact SG-CA 3.57Å; C122-C133 WeakPolarHBondContact SG-CB 3.49Å; C122-C133 CovalentContact SG-SG 2.03Å; C122-C133 PolarHBondContact SG-SG 2.02Å
134	V	92.8	Very high	91.8	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146	-176.1	180	0	0	0	0	110.1	G124 F125 C127 R132 L138 D145	G124-V134 CarbonylContact C-O 3.51Å; G124-V134 VanDerWaalsContact CA-O 3.27Å; G124-V134 WeakPolarHBondContact CA-O 3.2Å; F125-V134 PolarHBondContact N-O 3.38Å; F125-V134 PolarHBondContact O-N 2.92Å; C127-V134 VanDerWaalsContact SG-CG2 3.54Å; R132-V134 HydrophobicContact CG-CG2 3.91Å; V134-L138 HydrophobicContact CG1-CB 3.8Å; V134-L138 HydrophobicContact CG1-CD1 3.71Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; V134-D145 HydrophobicContact CG1-CB 3.95Å
135	N	92.7	Very high	91.9	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	31%	0.307	S	S	.	.			trans	-68.4	136.5	177.9	-167.7	-47.2	0	0	0	110.7	R137 L138	N135-R137 PolarHBondContact O-N 3.08Å; N135-R137 WeakPolarHBondContact OD1-CG 3.23Å; N135-R137 PolarHBondContact OD1-N 3.4Å; N135-L138 HydrophobicContact CB-CD1 4.3Å; N135-L138 HydrophobicContact CB-CG 4.38Å; N135-L138 VanDerWaalsContact O-CB 3.29Å; N135-L138 WeakPolarHBondContact O-CB 3.17Å; N135-L138 PolarHBondContact O-N 2.7Å
136	R	91.6	Very high	91.9	Very high	171 Å²	171	54.2 Å²	54.2	65%	0.645	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-57.9	-22.6	180	-60.8	-178.7	-172.3	-166.1	1.3	114.2	L138 L139	R136-L138 PolarHBondContact O-N 3.14Å; R136-L139 HydrophobicContact CB-CD1 4.34Å; R136-L139 PolarHBondContact O-N 3.01Å
137	R	90.9	Very high	91.7	Very high	220 Å²	220	51.6 Å²	51.6	83%	0.83	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67	-13.8	174.3	-65.4	179.8	-178.6	177.6	0.6	113.8	N135	N135-R137 PolarHBondContact O-N 3.08Å; N135-R137 WeakPolarHBondContact OD1-CG 3.23Å; N135-R137 PolarHBondContact OD1-N 3.4Å
138	L	92.8	Very high	91.7	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.068	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-96.7	-3	179.8	-60	177.4	0	0	0	112.6	V134 N135 R136 N141 D145 Y195	V134-L138 HydrophobicContact CG1-CB 3.8Å; V134-L138 HydrophobicContact CG1-CD1 3.71Å; V134-L138 HydrophobicContact CG1-CG 4.32Å; N135-L138 HydrophobicContact CB-CD1 4.3Å; N135-L138 HydrophobicContact CB-CG 4.38Å; N135-L138 VanDerWaalsContact O-CB 3.29Å; N135-L138 WeakPolarHBondContact O-CB 3.17Å; N135-L138 PolarHBondContact O-N 2.7Å; R136-L138 PolarHBondContact O-N 3.14Å; L138-N141 PolarHBondContact O-ND2 2.96Å; L138-N141 VanDerWaalsContact O-ND2 3.13Å; L138-N141 PolarHBondContact O-OD1 3.22Å; L138-D145 WeakPolarHBondContact CB-OD2 3.24Å; L138-Y195 HydrophobicContact CD1-CE2 4.08Å; L138-Y195 WeakPolarHBondContact CD1-OH 3.36Å
139	L	93.4	Very high	91.7	Very high	57 Å²	57	55.8 Å²	55.8	30%	0.298	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	139.2	174.7	-60.2	175.5	0	0	0	110.7	F125 R136 N141 D151	F125-L139 HydrophobicContact CB-CD1 4.24Å; F125-L139 HydrophobicContact CB-CD2 3.98Å; F125-L139 HydrophobicContact CB-CG 4.48Å; F125-L139 HydrophobicContact CD1-CD2 3.66Å; F125-L139 HydrophobicContact CD2-CD1 4.49Å; F125-L139 HydrophobicContact CD2-CD2 4.27Å; F125-L139 HydrophobicContact CE1-CD2 4.15Å; F125-L139 HydrophobicContact CG-CD1 4.4Å; F125-L139 HydrophobicContact CG-CD2 3.72Å; R136-L139 HydrophobicContact CB-CD1 4.34Å; R136-L139 PolarHBondContact O-N 3.01Å; L139-N141 PolarHBondContact O-N 3.5Å; L139-D151 HydrophobicContact CD2-CB 3.8Å
140	C	93.1	Very high	91.8	Very high	27 Å²	27	49.5 Å²	49.5	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	34.9	176.5	-53.3	0	0	0	0	113.8	D151 E152 C155 I158 Y159	C140-D151 PolarHBondContact N-O 3.04Å; C140-E152 WeakPolarHBondContact CA-OE1 3.49Å; C140-E152 WeakPolarHBondContact CA-OE2 3.41Å; C140-E152 PolarHBondContact N-OE1 3.46Å; C140-C155 WeakPolarHBondContact CA-SG 3.43Å; C140-C155 HydrophobicContact CB-CB 3.64Å; C140-C155 WeakPolarHBondContact CB-SG 3.4Å; C140-C155 WeakPolarHBondContact SG-CA 3.36Å; C140-C155 WeakPolarHBondContact SG-CB 3.2Å; C140-C155 CovalentContact SG-SG 2.02Å; C140-C155 PolarHBondContact SG-SG 3.05Å; C140-I158 WeakPolarHBondContact O-CA 3.32Å; C140-Y159 PolarHBondContact O-N 3.12Å
141	N	90.6	Very high	91.9	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.064	26%	0.259	C	S	.	.	S	Bend	trans	-97.3	-4.8	-179.5	71.7	2.2	0	0	0	112.7	L138 L139 D143 D145 E152 K160	L138-N141 PolarHBondContact O-ND2 2.96Å; L138-N141 VanDerWaalsContact O-ND2 3.13Å; L138-N141 PolarHBondContact O-OD1 3.22Å; L139-N141 PolarHBondContact O-N 3.5Å; N141-D143 VanDerWaalsContact C-N 3.34Å; N141-D143 WeakPolarHBondContact OD1-CA 3.47Å; N141-D143 WeakPolarHBondContact OD1-CB 3.27Å; N141-D143 PolarHBondContact OD1-N 3.22Å; N141-D143 PolarHBondContact OD1-O 3.12Å; N141-D145 PolarHBondContact ND2-OD2 3.27Å; N141-E152 PolarHBondContact N-OE1 2.91Å; N141-E152 PolarHBondContact N-OE2 3.06Å; N141-E152 PolarHBondContact OD1-OE1 2.9Å; N141-K160 WeakPolarHBondContact O-CA 3.35Å
142	G	89.3	Confident	92.1	Very high	39 Å²	39	49.8 Å²	49.8	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	83.2	2.7	-178.3	0	0	0	0	0	114.9	E152	G142-E152 VanDerWaalsContact CA-OE2 3.3Å; G142-E152 WeakPolarHBondContact CA-OE2 3.47Å; G142-E152 VanDerWaalsContact N-CD 3.28Å; G142-E152 PolarHBondContact N-OE1 2.87Å; G142-E152 PolarHBondContact N-OE2 3.23Å
143	D	91.3	Very high	92.2	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.123	27%	0.274	C	S	.	.	S	Bend	trans	-101	151.3	173.2	-66	-40.4	0	0	0	109.7	N141 D145 E152 R211	N141-D143 VanDerWaalsContact C-N 3.34Å; N141-D143 WeakPolarHBondContact OD1-CA 3.47Å; N141-D143 WeakPolarHBondContact OD1-CB 3.27Å; N141-D143 PolarHBondContact OD1-N 3.22Å; N141-D143 PolarHBondContact OD1-O 3.12Å; D143-D145 PolarHBondContact O-N 3.04Å; D143-E152 WeakPolarHBondContact O-CG 3.05Å; D143-R211 IonicContact OD1-CZ 3.96Å; D143-R211 IonicContact OD1-NH1 3.61Å; D143-R211 PolarHBondContact OD1-NH1 3.29Å; D143-R211 IonicContact OD1-NH2 3.42Å; D143-R211 PolarHBondContact OD1-NH2 3.1Å; D143-R211 IonicContact OD2-CZ 2.78Å; D143-R211 IonicContact OD2-NH1 2.77Å; D143-R211 IonicContact OD2-NH2 4Å; D143-R211 PolarHBondContact OD2-NH2 3.05Å
144	N	92.6	Very high	92.2	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.332	30%	0.297	S	S	.	.			trans	-94.6	80.5	173.1	-179.8	10.8	0	0	0	109.4	G147 D148 Q149	N144-G147 PolarHBondContact ND2-O 3.19Å; N144-G147 VanDerWaalsContact OD1-CA 3.22Å; N144-G147 WeakPolarHBondContact OD1-CA 3.08Å; N144-G147 PolarHBondContact OD1-N 2.95Å; N144-D148 PolarHBondContact OD1-N 3.16Å; N144-Q149 HydrophobicContact CB-CG 4.16Å; N144-Q149 WeakPolarHBondContact ND2-CG 2.99Å; N144-Q149 WeakPolarHBondContact OD1-CA 3.21Å; N144-Q149 PolarHBondContact OD1-N 3.44Å
145	D	93.3	Very high	92.1	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.307	C	S	.	.	S	Bend	trans	-79	-26.5	-179.5	-69.6	-60.8	0	0	0	112	R132 V134 L138 N141 D143 D151 Y195	R132-D145 PolarHBondContact NH1-O 3.32Å; V134-D145 HydrophobicContact CG1-CB 3.95Å; L138-D145 WeakPolarHBondContact CB-OD2 3.24Å; N141-D145 PolarHBondContact ND2-OD2 3.27Å; D143-D145 PolarHBondContact O-N 3.04Å; D145-D151 WeakPolarHBondContact CA-OD2 3.45Å; D145-D151 VanDerWaalsContact CB-OD2 3.25Å; D145-D151 WeakPolarHBondContact CB-OD2 3.4Å; D145-D151 PolarHBondContact N-OD2 3.38Å; D145-Y195 HydrophobicContact CB-CD2 4.09Å; D145-Y195 HydrophobicContact CB-CE2 3.95Å; D145-Y195 VanDerWaalsContact OD1-CD2 3.28Å; D145-Y195 WeakPolarHBondContact OD1-CD2 3.39Å; D145-Y195 VanDerWaalsContact OD1-CE2 3.3Å; D145-Y195 WeakPolarHBondContact OD1-CE2 3.14Å
146	C	91.9	Very high	91.9	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-78.2	-20.5	176.3	-84.5	0	0	0	0	114.7	C127 T130 D148 S150 D151	C127-C146 HydrophobicContact CB-CB 3.55Å; C127-C146 WeakPolarHBondContact CB-SG 3.24Å; C127-C146 WeakPolarHBondContact SG-CA 3.34Å; C127-C146 WeakPolarHBondContact SG-CB 3.5Å; C127-C146 CovalentContact SG-SG 2.03Å; C127-C146 PolarHBondContact SG-SG 2.93Å; T130-C146 WeakPolarHBondContact CB-O 3.47Å; T130-C146 WeakPolarHBondContact CG2-O 3.47Å; T130-C146 PolarHBondContact OG1-O 3.05Å; C146-D148 WeakPolarHBondContact CB-OD1 3.36Å; C146-D148 PolarHBondContact O-N 3.3Å; C146-S150 WeakPolarHBondContact CB-OG 3.27Å; C146-S150 PolarHBondContact SG-OG 3.43Å; C146-S150 VanDerWaalsContact SG-OG 3.41Å; C146-D151 HydrophobicContact CB-CB 4.27Å; C146-D151 WeakPolarHBondContact CB-OD1 3.45Å; C146-D151 PolarHBondContact N-OD1 3.02Å; C146-D151 PolarHBondContact N-OD2 2.84Å
147	G	89.9	Confident	91.7	Very high	25 Å²	25	67.1 Å²	67.1	26%	0.258	33%	0.332	S	S	.	.	S	Bend	trans	85.6	-30.8	-173.5	0	0	0	0	0	113.6	N144	N144-G147 PolarHBondContact ND2-O 3.19Å; N144-G147 VanDerWaalsContact OD1-CA 3.22Å; N144-G147 WeakPolarHBondContact OD1-CA 3.08Å; N144-G147 PolarHBondContact OD1-N 2.95Å
148	D	92.4	Very high	91.5	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.251	32%	0.316	S	S	.	.	S	Bend	trans	-102.1	7.5	178.1	62.7	5.5	0	0	0	113.9	A128 Q129 T130 N144 C146 S150	A128-D148 PolarHBondContact N-OD2 2.69Å; Q129-D148 WeakPolarHBondContact CA-OD2 3.16Å; Q129-D148 HydrophobicContact CB-CB 4.03Å; Q129-D148 VanDerWaalsContact CB-OD2 3.26Å; Q129-D148 WeakPolarHBondContact CB-OD2 3.15Å; Q129-D148 PolarHBondContact N-OD2 2.89Å; T130-D148 HydrophobicContact CG2-CB 4.09Å; T130-D148 PolarHBondContact N-OD2 2.95Å; N144-D148 PolarHBondContact OD1-N 3.16Å; C146-D148 WeakPolarHBondContact CB-OD1 3.36Å; C146-D148 PolarHBondContact O-N 3.3Å; D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.49Å; D148-S150 PolarHBondContact OD1-N 3.15Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 2.84Å
149	Q	91.7	Very high	91.1	Very high	132 Å²	132	68.6 Å²	68.6	62%	0.617	34%	0.344	S	S	*	.	S	Bend	trans	62.3	15.5	-176.3	-55.5	177.1	-12.6	0	0	115	N144 D151 E152 A153	N144-Q149 HydrophobicContact CB-CG 4.16Å; N144-Q149 WeakPolarHBondContact ND2-CG 2.99Å; N144-Q149 WeakPolarHBondContact OD1-CA 3.21Å; N144-Q149 PolarHBondContact OD1-N 3.44Å; Q149-D151 VanDerWaalsContact C-N 3.27Å; Q149-D151 PolarHBondContact O-N 3.12Å; Q149-E152 PolarHBondContact O-N 2.95Å; Q149-A153 PolarHBondContact O-N 3.26Å
150	S	94.6	Very high	90.3	Very high	19 Å²	19	73.1 Å²	73.1	13%	0.133	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-70.2	-21.8	-179.3	58.5	0	0	0	0	114.2	C127 A128 C146 D148 E152 A153	C127-S150 WeakPolarHBondContact CA-OG 3.48Å; A128-S150 PolarHBondContact N-OG 3.37Å; C146-S150 WeakPolarHBondContact CB-OG 3.27Å; C146-S150 PolarHBondContact SG-OG 3.43Å; C146-S150 VanDerWaalsContact SG-OG 3.41Å; D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.49Å; D148-S150 PolarHBondContact OD1-N 3.15Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 2.84Å; S150-E152 VanDerWaalsContact C-N 3.33Å; S150-A153 WeakPolarHBondContact O-CB 3.36Å; S150-A153 PolarHBondContact O-N 3.22Å
151	D	92.5	Very high	89.5	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.011	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-71.6	-23.8	173.1	50.1	-34.9	0	0	0	114.1	L139 C140 D145 C146 Q149	L139-D151 HydrophobicContact CD2-CB 3.8Å; C140-D151 PolarHBondContact N-O 3.04Å; D145-D151 WeakPolarHBondContact CA-OD2 3.45Å; D145-D151 VanDerWaalsContact CB-OD2 3.25Å; D145-D151 WeakPolarHBondContact CB-OD2 3.4Å; D145-D151 PolarHBondContact N-OD2 3.38Å; C146-D151 HydrophobicContact CB-CB 4.27Å; C146-D151 WeakPolarHBondContact CB-OD1 3.45Å; C146-D151 PolarHBondContact N-OD1 3.02Å; C146-D151 PolarHBondContact N-OD2 2.84Å; Q149-D151 VanDerWaalsContact C-N 3.27Å; Q149-D151 PolarHBondContact O-N 3.12Å
152	E	93.6	Very high	89	Confident	39 Å²	39	78.8 Å²	78.8	18%	0.182	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-99.6	4.2	177.7	-62.9	-60.5	121.7	0	0	112.5	C140 N141 G142 D143 Q149 S150 C155	C140-E152 WeakPolarHBondContact CA-OE1 3.49Å; C140-E152 WeakPolarHBondContact CA-OE2 3.41Å; C140-E152 PolarHBondContact N-OE1 3.46Å; N141-E152 PolarHBondContact N-OE1 2.91Å; N141-E152 PolarHBondContact N-OE2 3.06Å; N141-E152 PolarHBondContact OD1-OE1 2.9Å; G142-E152 VanDerWaalsContact CA-OE2 3.3Å; G142-E152 WeakPolarHBondContact CA-OE2 3.47Å; G142-E152 VanDerWaalsContact N-CD 3.28Å; G142-E152 PolarHBondContact N-OE1 2.87Å; G142-E152 PolarHBondContact N-OE2 3.23Å; D143-E152 WeakPolarHBondContact O-CG 3.05Å; Q149-E152 PolarHBondContact O-N 2.95Å; S150-E152 VanDerWaalsContact C-N 3.33Å; E152-C155 VanDerWaalsContact C-SG 3.53Å; E152-C155 PolarHBondContact O-SG 3.16Å; E152-C155 VanDerWaalsContact O-SG 3.34Å
153	A	92.9	Very high	88.6	Confident	53 Å²	53	85.4 Å²	85.4	44%	0.438	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	144.1	175.5	0	0	0	0	0	111.5	Q149 S150 C155	Q149-A153 PolarHBondContact O-N 3.26Å; S150-A153 WeakPolarHBondContact O-CB 3.36Å; S150-A153 PolarHBondContact O-N 3.22Å; A153-C155 VanDerWaalsContact C-N 3.28Å; A153-C155 PolarHBondContact O-N 3.11Å
154	N	91.6	Very high	88.2	Confident	170 Å²	170	89.7 Å²	89.7	91%	0.909	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	29.8	175.1	-57.4	-43.7	0	0	0	115.3
155	C	90.6	Very high	87.8	Confident	34 Å²	34	95.4 Å²	95.4	23%	0.23	45%	0.449	C	S	.	.			trans	-80.5	123.1	178.5	-64	0	0	0	0	112.6	C140 E152 A153 I158	C140-C155 WeakPolarHBondContact CA-SG 3.43Å; C140-C155 HydrophobicContact CB-CB 3.64Å; C140-C155 WeakPolarHBondContact CB-SG 3.4Å; C140-C155 WeakPolarHBondContact SG-CA 3.36Å; C140-C155 WeakPolarHBondContact SG-CB 3.2Å; C140-C155 CovalentContact SG-SG 2.02Å; C140-C155 PolarHBondContact SG-SG 3.05Å; E152-C155 VanDerWaalsContact C-SG 3.53Å; E152-C155 PolarHBondContact O-SG 3.16Å; E152-C155 VanDerWaalsContact O-SG 3.34Å; A153-C155 VanDerWaalsContact C-N 3.28Å; A153-C155 PolarHBondContact O-N 3.11Å; C155-I158 HydrophobicContact CB-CG1 4.42Å
156	R	89.8	Confident	87.6	Confident	253 Å²	253	97 Å²	97	96%	0.955	46%	0.457	S	S	*	.	S	Bend	trans	-70.6	-34.8	173.3	-66	-176.9	-178.7	-179.3	-0.1	112.6
157	R	87.2	Confident	87.6	Confident	182 Å²	182	101.2 Å²	101.2	69%	0.687	48%	0.48	S	S	*	.	S	Bend	trans	-147	140.7	176.8	-68.1	-173.5	178.1	178	-1.5	108.3	Y159	R157-Y159 HydrophobicContact CB-CE2 4.2Å
158	I	86.8	Confident	87.7	Confident	97 Å²	97	104.1 Å²	104.1	50%	0.497	49%	0.486	S	S	.	.			trans	-98.5	116.1	176.1	-58.3	173	0	0	0	108	C140 C155 K160	C140-I158 WeakPolarHBondContact O-CA 3.32Å; C155-I158 HydrophobicContact CB-CG1 4.42Å; I158-K160 HydrophobicContact CG2-CG 4.03Å; I158-K160 PolarHBondContact O-N 3.49Å
159	Y	82.9	Confident	87.7	Confident	166 Å²	166	102.1 Å²	102.1	65%	0.651	48%	0.475	S	S	*	.			trans	-91.3	77	177.4	-65	-80.9	0	0	0	109.5	C140 R157 K161	C140-Y159 PolarHBondContact O-N 3.12Å; R157-Y159 HydrophobicContact CB-CE2 4.2Å; Y159-K161 PolarHBondContact O-N 2.64Å
160	K	78.7	Confident	87.6	Confident	152 Å²	152	98.3 Å²	98.3	66%	0.661	46%	0.455	S	S	*	.			trans	-54	113.9	-179.8	-69.9	-167.4	178.2	-171.2	0	110.7	N141 I158 C162	N141-K160 WeakPolarHBondContact O-CA 3.35Å; I158-K160 HydrophobicContact CG2-CG 4.03Å; I158-K160 PolarHBondContact O-N 3.49Å; K160-C162 VanDerWaalsContact C-N 3.3Å
161	K	75.1	Confident	87.2	Confident	136 Å²	136	98.8 Å²	98.8	59%	0.591	46%	0.463	S	S	*	.	S	Bend	trans	-71.3	-31.6	176.1	-168.2	61.9	174.7	-177.5	0	111.7	Y159 G198 C200	Y159-K161 PolarHBondContact O-N 2.64Å; K161-G198 WeakPolarHBondContact CG-O 3.32Å; K161-C200 HydrophobicContact CG-CB 4.03Å
162	C	81.3	Confident	87.2	Confident	22 Å²	22	99 Å²	99	15%	0.149	46%	0.464	C	S	.	.			trans	-104.8	118.3	175.8	-62.8	0	0	0	0	111.7	K160 M166 C200	K160-C162 VanDerWaalsContact C-N 3.3Å; C162-M166 HydrophobicContact CB-CE 4.14Å; C162-M166 WeakPolarHBondContact SG-CE 3.32Å; C162-C200 WeakPolarHBondContact CA-SG 3.43Å; C162-C200 HydrophobicContact CB-CB 4.36Å; C162-C200 WeakPolarHBondContact CB-SG 3.12Å; C162-C200 WeakPolarHBondContact SG-CB 3.18Å; C162-C200 CovalentContact SG-SG 2.01Å; C162-C200 PolarHBondContact SG-SG 2.83Å
163	Q	79.8	Confident	87.2	Confident	178 Å²	178	99.3 Å²	99.3	83%	0.832	48%	0.478	S	S	*	.	S	Bend	trans	-84.5	-23.6	173.7	-66.4	-176.4	-4.5	0	0	112.5
164	H	83.1	Confident	87.1	Confident	114 Å²	114	99.4 Å²	99.4	53%	0.528	48%	0.476	S	S	.	.	S	Bend	trans	-109.3	141.1	-178.9	-58.9	-52.1	0	0	0	110.7	R209	H164-R209 VanDerWaalsContact CB-NH1 3.34Å
165	E	84.1	Confident	87.3	Confident	181 Å²	181	91.3 Å²	91.3	85%	0.846	43%	0.433	S	S	*	.			trans	-67	135.3	167.3	-65.4	178.8	177.9	0	0	109.5
166	M	89.7	Confident	87.6	Confident	34 Å²	34	90 Å²	90	17%	0.167	42%	0.424	C	S	.	.			trans	-140.9	140.1	-177.5	-67.4	-175.5	-75.7	0	0	109.1	C162 C200 P202 R209 R211	C162-M166 HydrophobicContact CB-CE 4.14Å; C162-M166 WeakPolarHBondContact SG-CE 3.32Å; M166-C200 WeakPolarHBondContact CE-SG 3.38Å; M166-P202 HydrophobicContact SD-CB 3.72Å; M166-R209 WeakPolarHBondContact CA-O 2.79Å; M166-R209 HydrophobicContact CG-CB 4.25Å; M166-R211 HydrophobicContact CB-CB 3.83Å; M166-R211 HydrophobicContact CE-CB 4.07Å; M166-R211 HydrophobicContact CE-CG 3.76Å; M166-R211 HydrophobicContact SD-CB 4.23Å; M166-R211 HydrophobicContact SD-CG 4.44Å
167	D	91.1	Very high	87.9	Confident	90 Å²	90	78.3 Å²	78.3	48%	0.481	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-83.7	159.1	-178	-66.9	-34.4	0	0	0	112.1	R209 F210 R211	D167-R209 PolarHBondContact N-O 3.43Å; D167-F210 HydrophobicContact CB-CD1 3.94Å; D167-F210 HydrophobicContact CB-CE1 3.98Å; D167-F210 CarbonylContact O-C 3.6Å; D167-F210 VanDerWaalsContact O-CA 3.29Å; D167-F210 WeakPolarHBondContact O-CA 3.21Å; D167-R211 PolarHBondContact O-N 2.86Å
168	Q	92.4	Very high	88.3	Confident	85 Å²	85	69.7 Å²	69.7	40%	0.397	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-77.5	150.7	165.5	-65.8	178.6	15.1	0	0	109.5	W170 I172 Y196 F210	Q168-W170 PolarHBondContact O-N 3.41Å; Q168-I172 HydrophobicContact CB-CG2 4.11Å; Q168-Y196 WeakPolarHBondContact CG-OH 3.35Å; Q168-F210 VanDerWaalsContact O-CD1 3.25Å; Q168-F210 WeakPolarHBondContact O-CD1 3.49Å; Q168-F210 WeakPolarHBondContact O-CE1 3.31Å
169	Y	92.6	Very high	88.6	Confident	5 Å²	5	65 Å²	65	2%	0.02	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-56.3	137.7	172.4	-61	-46.7	0	0	0	110.5	G171 I172 H203 I205 F210 K212 V216 Y219	Y169-G171 PolarHBondContact O-N 2.88Å; Y169-I172 HydrophobicContact CD2-CD1 4.18Å; Y169-I172 VanDerWaalsContact O-CB 3.28Å; Y169-I172 WeakPolarHBondContact O-CB 3.28Å; Y169-I172 VanDerWaalsContact O-CG2 3.28Å; Y169-I172 WeakPolarHBondContact O-CG2 3.43Å; Y169-I172 PolarHBondContact O-N 3Å; Y169-I172 VanDerWaalsContact O-N 3.15Å; Y169-H203 HydrophobicContact CE1-CB 4.44Å; Y169-H203 AromaticContact CE1-ND1 3.74Å; Y169-H203 PolarHBondContact OH-ND1 2.87Å; Y169-I205 HydrophobicContact CD1-CD1 4.35Å; Y169-I205 HydrophobicContact CE1-CD1 4.16Å; Y169-F210 HydrophobicContact CD1-CB 3.6Å; Y169-F210 AromaticContact CD1-CD1 3.83Å; Y169-F210 HydrophobicContact CD1-CD1 3.83Å; Y169-F210 HydrophobicContact CD1-CD2 4.4Å; Y169-F210 AromaticContact CD1-CG 3.68Å; Y169-F210 HydrophobicContact CD1-CG 3.68Å; Y169-F210 HydrophobicContact CE1-CB 3.41Å; Y169-F210 VanDerWaalsContact CE1-CB 3.41Å; Y169-F210 AromaticContact CE1-CG 3.94Å; Y169-F210 HydrophobicContact CE1-CG 3.94Å; Y169-K212 HydrophobicContact CE2-CB 4.34Å; Y169-K212 HydrophobicContact CE2-CG 4.06Å; Y169-K212 WeakPolarHBondContact OH-CB 3.01Å; Y169-V216 HydrophobicContact CE2-CG1 4.44Å; Y169-Y219 AromaticContact CD1-CD1 3.95Å; Y169-Y219 HydrophobicContact CD1-CD1 3.95Å; Y169-Y219 HydrophobicContact CD1-CE1 4.19Å; Y169-Y219 HydrophobicContact CD1-CG 4.24Å; Y169-Y219 HydrophobicContact CD2-CD1 4.36Å; Y169-Y219 AromaticContact CD2-CD2 3.88Å; Y169-Y219 HydrophobicContact CD2-CD2 3.88Å; Y169-Y219 HydrophobicContact CD2-CE2 4.45Å; Y169-Y219 AromaticContact CD2-CG 3.82Å; Y169-Y219 HydrophobicContact CD2-CG 3.82Å; Y169-Y219 HydrophobicContact CE1-CD1 4.01Å; Y169-Y219 HydrophobicContact CE1-CG 4.27Å; Y169-Y219 VanDerWaalsContact CE2-CB 3.5Å; Y169-Y219 HydrophobicContact CE2-CD1 4.4Å; Y169-Y219 HydrophobicContact CE2-CD2 4.29Å; Y169-Y219 AromaticContact CE2-CG 3.83Å; Y169-Y219 HydrophobicContact CE2-CG 3.83Å; Y169-Y219 HydrophobicContact CG-CD1 4.14Å; Y169-Y219 HydrophobicContact CG-CD2 4.13Å; Y169-Y219 HydrophobicContact CG-CE1 4.34Å; Y169-Y219 HydrophobicContact CG-CE2 4.31Å; Y169-Y219 HydrophobicContact CG-CG 4.03Å
170	W	89.6	Confident	88.9	Confident	52 Å²	52	57.5 Å²	57.5	20%	0.197	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131.1	177.3	-59.3	-44.5	0	0	0	110.6	Q168 I172 F210 Q457 Y458	Q168-W170 PolarHBondContact O-N 3.41Å; W170-I172 VanDerWaalsContact C-N 3.27Å; W170-I172 PolarHBondContact O-N 2.89Å; W170-F210 HydrophobicContact CD2-CE1 4.27Å; W170-F210 AromaticContact CD2-CZ 3.86Å; W170-F210 HydrophobicContact CD2-CZ 3.86Å; W170-F210 AromaticContact CE2-CZ 3.58Å; W170-F210 HydrophobicContact CE3-CZ 4.12Å; W170-F210 HydrophobicContact CG-CE1 4.47Å; W170-F210 HydrophobicContact CH2-CE2 4.47Å; W170-F210 AromaticContact CH2-CZ 3.94Å; W170-F210 HydrophobicContact CH2-CZ 3.94Å; W170-F210 HydrophobicContact CZ2-CE1 4.49Å; W170-F210 AromaticContact CZ2-CZ 3.65Å; W170-F210 HydrophobicContact CZ2-CZ 3.65Å; W170-F210 HydrophobicContact CZ3-CZ 4.16Å; W170-Q457 HydrophobicContact CZ3-CG 4Å; W170-Y458 HydrophobicContact CD2-CD1 4.38Å; W170-Y458 AromaticContact CE2-CD1 3.9Å; W170-Y458 AromaticContact CH2-CD1 3.85Å; W170-Y458 HydrophobicContact CH2-CD1 3.85Å; W170-Y458 AromaticContact CH2-CE1 3.7Å; W170-Y458 HydrophobicContact CH2-CE1 3.7Å; W170-Y458 AromaticContact CZ2-CD1 3.63Å; W170-Y458 HydrophobicContact CZ2-CD1 3.63Å; W170-Y458 AromaticContact CZ2-CE1 3.67Å; W170-Y458 HydrophobicContact CZ2-CE1 3.67Å; W170-Y458 HydrophobicContact CZ3-CD1 4.33Å; W170-Y458 HydrophobicContact CZ3-CE1 4.47Å
171	G	86.8	Confident	89.3	Confident	29 Å²	29	50.6 Å²	50.6	30%	0.299	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	7.3	-178.8	0	0	0	0	0	116	Y169 G173 S174	Y169-G171 PolarHBondContact O-N 2.88Å; G171-G173 PolarHBondContact O-N 3.4Å; G171-S174 PolarHBondContact O-N 2.89Å
172	I	92.6	Very high	89.7	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.4	-174.5	-160.5	57.3	0	0	0	114.6	Q168 Y169 W170 L175 A176 H193 P213 V216 Y304	Q168-I172 HydrophobicContact CB-CG2 4.11Å; Y169-I172 HydrophobicContact CD2-CD1 4.18Å; Y169-I172 VanDerWaalsContact O-CB 3.28Å; Y169-I172 WeakPolarHBondContact O-CB 3.28Å; Y169-I172 VanDerWaalsContact O-CG2 3.28Å; Y169-I172 WeakPolarHBondContact O-CG2 3.43Å; Y169-I172 PolarHBondContact O-N 3Å; Y169-I172 VanDerWaalsContact O-N 3.15Å; W170-I172 VanDerWaalsContact C-N 3.27Å; W170-I172 PolarHBondContact O-N 2.89Å; I172-L175 HydrophobicContact CD1-CB 4.35Å; I172-L175 HydrophobicContact CD1-CD1 3.86Å; I172-L175 PolarHBondContact O-N 2.95Å; I172-A176 PolarHBondContact O-N 2.03Å; I172-H193 HydrophobicContact CG1-CB 4.06Å; I172-H193 PolarHBondContact O-ND1 3.02Å; I172-H193 VanDerWaalsContact O-ND1 3.14Å; I172-P213 HydrophobicContact CG1-CG 4.37Å; I172-V216 HydrophobicContact CD1-CG2 4.28Å; I172-Y304 HydrophobicContact CD1-CD2 4.3Å; I172-Y304 HydrophobicContact CD1-CE2 4.03Å
173	G	91.6	Very high	89.7	Confident	46 Å²	46	46.4 Å²	46.4	47%	0.474	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-41	176.6	0	0	0	0	0	112.2	G171 L175 A176 S177	G171-G173 PolarHBondContact O-N 3.4Å; G173-L175 PolarHBondContact O-N 3.36Å; G173-A176 VanDerWaalsContact O-CB 3.31Å; G173-A176 WeakPolarHBondContact O-CB 3.43Å; G173-A176 PolarHBondContact O-N 3.22Å; G173-S177 PolarHBondContact O-N 3.03Å
174	S	92.8	Very high	89.8	Confident	56 Å²	56	39.2 Å²	39.2	39%	0.392	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.2	176.4	-55.4	0	0	0	0	112.9	G171 A176 S177	G171-S174 PolarHBondContact O-N 2.89Å; S174-A176 VanDerWaalsContact C-N 3.3Å; S174-S177 PolarHBondContact O-OG 3.4Å
175	L	95.4	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.3	172.5	-69.2	170.1	0	0	0	112.9	I172 G173 H193 Y304 I345 A348 L350 I462	I172-L175 HydrophobicContact CD1-CB 4.35Å; I172-L175 HydrophobicContact CD1-CD1 3.86Å; I172-L175 PolarHBondContact O-N 2.95Å; G173-L175 PolarHBondContact O-N 3.36Å; L175-H193 PolarHBondContact O-CE1 3.22Å; L175-Y304 HydrophobicContact CB-CE2 4.39Å; L175-Y304 HydrophobicContact CD1-CD1 4.18Å; L175-Y304 HydrophobicContact CD1-CD2 3.55Å; L175-Y304 HydrophobicContact CD1-CE2 4Å; L175-Y304 HydrophobicContact CD1-CG 3.62Å; L175-Y304 HydrophobicContact CD2-CD1 4.01Å; L175-Y304 HydrophobicContact CD2-CE1 4.41Å; L175-Y304 HydrophobicContact CD2-CG 4.23Å; L175-Y304 HydrophobicContact CG-CG 4.45Å; L175-I345 HydrophobicContact CD2-CD1 4.07Å; L175-I345 HydrophobicContact CD2-CG2 4.2Å; L175-A348 HydrophobicContact CD2-CB 3.61Å; L175-L350 HydrophobicContact CD1-CD1 3.82Å; L175-L350 HydrophobicContact CD1-CD2 4.17Å; L175-L350 HydrophobicContact CD1-CG 4.24Å; L175-L350 HydrophobicContact CD2-CD2 4.06Å; L175-L350 HydrophobicContact CG-CD2 4.25Å; L175-I462 HydrophobicContact CD2-CD1 4.1Å; L175-I462 HydrophobicContact CD2-CG1 4.09Å
176	A	96.2	Very high	90.2	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-17.9	179.1	0	0	0	0	0	113.1	I172 G173 S174 V190 L191 H193	I172-A176 PolarHBondContact O-N 2.03Å; G173-A176 VanDerWaalsContact O-CB 3.31Å; G173-A176 WeakPolarHBondContact O-CB 3.43Å; G173-A176 PolarHBondContact O-N 3.22Å; S174-A176 VanDerWaalsContact C-N 3.3Å; A176-V190 WeakPolarHBondContact O-CG2 3.29Å; A176-V190 PolarHBondContact O-N 3.4Å; A176-L191 HydrophobicContact CB-CB 4.41Å; A176-L191 WeakPolarHBondContact CB-O 3.44Å; A176-L191 PolarHBondContact O-N 2.66Å; A176-L191 VanDerWaalsContact O-N 3.08Å; A176-H193 HydrophobicContact CB-CB 4Å; A176-H193 WeakPolarHBondContact CB-ND1 3.37Å
177	S	96.3	Very high	90.4	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	148.5	175.9	44.2	0	0	0	0	112.5	G173 S174 E187	G173-S177 PolarHBondContact O-N 3.03Å; S174-S177 PolarHBondContact O-OG 3.4Å; S177-E187 WeakPolarHBondContact CB-O 3.27Å
178	G	96	Very high	90.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	161.1	164.8	0	0	0	0	0	111.3	E187 G188 F340 H343	G178-E187 PolarHBondContact O-N 3.25Å; G178-G188 PolarHBondContact N-O 2.94Å; G178-F340 VanDerWaalsContact CA-O 3.28Å; G178-F340 WeakPolarHBondContact CA-O 3.25Å; G178-H343 CarbonylContact C-O 3.53Å; G178-H343 WeakPolarHBondContact CA-O 3.28Å
179	I	92.2	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130	-178.1	-60.9	176.9	0	0	0	108.4	V181 S185 L186 L266 T342 H343 I345 I465 V467	I179-V181 HydrophobicContact CG2-CG2 4Å; I179-V181 PolarHBondContact O-N 2.8Å; I179-S185 WeakPolarHBondContact CA-O 3.42Å; I179-L186 HydrophobicContact CD1-CD2 4.37Å; I179-L186 HydrophobicContact CG1-CD2 3.76Å; I179-L266 HydrophobicContact CG2-CD2 4.44Å; I179-T342 PolarHBondContact O-N 2.83Å; I179-T342 PolarHBondContact O-OG1 3.34Å; I179-H343 PolarHBondContact N-O 3.04Å; I179-H343 PolarHBondContact O-N 2.71Å; I179-I345 HydrophobicContact CD1-CD1 3.68Å; I179-I345 HydrophobicContact CD1-CG1 3.28Å; I179-I345 HydrophobicContact CG1-CD1 4.28Å; I179-I345 HydrophobicContact CG1-CG1 4.07Å; I179-I465 HydrophobicContact CD1-CD1 3.65Å; I179-V467 HydrophobicContact CD1-CG1 4.16Å
180	N	89.9	Confident	91.1	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	100.4	161.7	-171.9	-14	0	0	0	109.6	F182 T183 N184 S185 E187	N180-F182 PolarHBondContact O-N 2.91Å; N180-F182 WeakPolarHBondContact OD1-CB 3.27Å; N180-F182 PolarHBondContact OD1-N 3.31Å; N180-F182 VanDerWaalsContact OD1-N 3.11Å; N180-T183 VanDerWaalsContact CB-OG1 3.24Å; N180-T183 WeakPolarHBondContact CB-OG1 3.34Å; N180-T183 PolarHBondContact ND2-OG1 2.95Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 2.77Å; N180-N184 WeakPolarHBondContact O-CA 3.49Å; N180-N184 PolarHBondContact O-N 2.93Å; N180-S185 PolarHBondContact N-O 3.49Å; N180-S185 PolarHBondContact O-N 3.11Å; N180-E187 HydrophobicContact CB-CG 4.04Å
181	V	86.8	Confident	91.5	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.036	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.5	-177.1	-177.9	0	0	0	0	112	I179 F254 I260 T342 H343 V467	I179-V181 HydrophobicContact CG2-CG2 4Å; I179-V181 PolarHBondContact O-N 2.8Å; V181-F254 HydrophobicContact CG1-CE1 4.35Å; V181-F254 HydrophobicContact CG1-CZ 3.97Å; V181-I260 HydrophobicContact CG1-CD1 3.9Å; V181-T342 PolarHBondContact N-OG1 2.91Å; V181-H343 HydrophobicContact CG2-CB 3.92Å; V181-H343 VanDerWaalsContact CG2-ND1 3.32Å; V181-H343 WeakPolarHBondContact CG2-ND1 3.41Å; V181-V467 HydrophobicContact CG2-CG2 4.31Å
182	F	83.5	Confident	91.9	Very high	50 Å²	50	22.3 Å²	22.3	22%	0.219	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-27	178.5	-53.1	-48.4	0	0	0	112.6	N180 F254 F258 T342 L493 F496 Q497 V500	N180-F182 PolarHBondContact O-N 2.91Å; N180-F182 WeakPolarHBondContact OD1-CB 3.27Å; N180-F182 PolarHBondContact OD1-N 3.31Å; N180-F182 VanDerWaalsContact OD1-N 3.11Å; F182-F254 HydrophobicContact CD1-CE2 4.11Å; F182-F254 AromaticContact CD1-CZ 3.93Å; F182-F254 HydrophobicContact CD1-CZ 3.93Å; F182-F254 HydrophobicContact CE1-CD2 4.48Å; F182-F254 HydrophobicContact CE1-CE1 4.18Å; F182-F254 AromaticContact CE1-CE2 3.63Å; F182-F254 HydrophobicContact CE1-CE2 3.63Å; F182-F254 AromaticContact CE1-CZ 3.44Å; F182-F254 HydrophobicContact CE1-CZ 3.44Å; F182-F254 VanDerWaalsContact CE1-CZ 3.44Å; F182-F254 HydrophobicContact CZ-CZ 4.45Å; F182-F258 HydrophobicContact CE1-CE1 4.39Å; F182-F258 HydrophobicContact CZ-CD1 4.17Å; F182-F258 AromaticContact CZ-CE1 3.95Å; F182-F258 HydrophobicContact CZ-CE1 3.95Å; F182-T342 HydrophobicContact CD2-CG2 4.03Å; F182-T342 HydrophobicContact CE2-CG2 3.81Å; F182-L493 HydrophobicContact CE2-CD1 3.89Å; F182-L493 HydrophobicContact CZ-CD1 4.13Å; F182-F496 HydrophobicContact CD2-CD1 4.07Å; F182-F496 HydrophobicContact CD2-CE1 4.29Å; F182-F496 HydrophobicContact CE2-CD1 4.03Å; F182-Q497 HydrophobicContact CD1-CG 4.22Å; F182-Q497 HydrophobicContact CE1-CB 4.1Å; F182-Q497 HydrophobicContact CE1-CG 3.69Å; F182-Q497 HydrophobicContact CE2-CB 3.9Å; F182-Q497 HydrophobicContact CE2-CG 4.35Å; F182-Q497 HydrophobicContact CZ-CB 3.62Å; F182-Q497 HydrophobicContact CZ-CG 3.76Å; F182-V500 HydrophobicContact CB-CG2 3.74Å; F182-V500 HydrophobicContact CD2-CG2 3.74Å; F182-V500 HydrophobicContact CG-CG2 4.02Å
183	T	80.6	Confident	92	Very high	21 Å²	21	22.4 Å²	22.4	13%	0.129	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-8	-178.5	52.5	0	0	0	0	113.1	N180 S185 Q271	N180-T183 VanDerWaalsContact CB-OG1 3.24Å; N180-T183 WeakPolarHBondContact CB-OG1 3.34Å; N180-T183 PolarHBondContact ND2-OG1 2.95Å; N180-T183 PolarHBondContact O-N 2.92Å; N180-T183 PolarHBondContact O-OG1 2.77Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å; T183-S185 PolarHBondContact OG1-OG 3.23Å; T183-Q271 VanDerWaalsContact CG2-NE2 3.27Å
184	N	83.4	Confident	92.1	Very high	26 Å²	26	28.9 Å²	28.9	14%	0.139	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	41.8	-171.9	-61.3	-52.5	0	0	0	112.1	N180	N180-N184 WeakPolarHBondContact O-CA 3.49Å; N180-N184 PolarHBondContact O-N 2.93Å
185	S	84.8	Confident	92.1	Very high	20 Å²	20	27 Å²	27	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.2	177.6	47.8	0	0	0	0	111.7	I179 N180 T183 E187	I179-S185 WeakPolarHBondContact CA-O 3.42Å; N180-S185 PolarHBondContact N-O 3.49Å; N180-S185 PolarHBondContact O-N 3.11Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å; T183-S185 PolarHBondContact OG1-OG 3.23Å; S185-E187 WeakPolarHBondContact CB-OE1 3.41Å; S185-E187 PolarHBondContact OG-OE1 3.41Å
186	L	90.3	Very high	92	Very high	78 Å²	78	28.3 Å²	28.3	41%	0.408	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135	166.7	-60.2	-177.4	0	0	0	108.4	I179 I462	I179-L186 HydrophobicContact CD1-CD2 4.37Å; I179-L186 HydrophobicContact CG1-CD2 3.76Å; L186-I462 HydrophobicContact CD2-CD1 4.48Å
187	E	94.4	Very high	91.8	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-159.4	-179.3	-52	-56.9	166.3	0	0	110.4	S177 G178 N180 S185	S177-E187 WeakPolarHBondContact CB-O 3.27Å; G178-E187 PolarHBondContact O-N 3.25Å; N180-E187 HydrophobicContact CB-CG 4.04Å; S185-E187 WeakPolarHBondContact CB-OE1 3.41Å; S185-E187 PolarHBondContact OG-OE1 3.41Å
188	G	95.7	Very high	91.3	Very high	26 Å²	26	30 Å²	30	27%	0.268	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	159.1	-179.6	0	0	0	0	0	115	G178 V190 D339	G178-G188 PolarHBondContact N-O 2.94Å; G188-V190 PolarHBondContact O-N 3.45Å; G188-D339 WeakPolarHBondContact CA-O 3.35Å; G188-D339 PolarHBondContact N-O 2.87Å
189	S	96.7	Very high	90.8	Very high	43 Å²	43	31.6 Å²	31.6	30%	0.301	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.9	178.1	-66.6	0	0	0	0	112.1	H314 F340	S189-H314 VanDerWaalsContact O-CB 3.24Å; S189-H314 WeakPolarHBondContact O-CB 3.43Å; S189-F340 WeakPolarHBondContact O-CE1 3.46Å
190	V	97.7	Very high	90.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.			trans	-106.9	-27.5	178.5	-63.4	0	0	0	0	112.2	A176 G188 H314 F317 F340 L470 L473	A176-V190 WeakPolarHBondContact O-CG2 3.29Å; A176-V190 PolarHBondContact O-N 3.4Å; G188-V190 PolarHBondContact O-N 3.45Å; V190-H314 PolarHBondContact O-N 3.46Å; V190-F317 HydrophobicContact CB-CD1 4.42Å; V190-F317 HydrophobicContact CB-CD2 4.43Å; V190-F317 HydrophobicContact CB-CG 4.26Å; V190-F317 HydrophobicContact CG1-CD2 3.89Å; V190-F317 HydrophobicContact CG1-CE2 4.18Å; V190-F317 HydrophobicContact CG1-CG 4.18Å; V190-F340 HydrophobicContact CG1-CB 3.73Å; V190-F340 HydrophobicContact CG1-CD1 3.78Å; V190-F340 HydrophobicContact CG1-CG 4.14Å; V190-L470 HydrophobicContact CB-CD2 4.23Å; V190-L470 HydrophobicContact CG1-CD2 3.84Å; V190-L470 HydrophobicContact CG2-CD2 4.25Å; V190-L473 HydrophobicContact CB-CD1 4.22Å; V190-L473 HydrophobicContact CG2-CD1 4.27Å
191	L	97.3	Very high	90.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-110.5	147.7	175.5	-65.8	170.8	0	0	0	110.8	A176 H193 L306 L311 L313 Y344 L473	A176-L191 HydrophobicContact CB-CB 4.41Å; A176-L191 WeakPolarHBondContact CB-O 3.44Å; A176-L191 PolarHBondContact O-N 2.66Å; A176-L191 VanDerWaalsContact O-N 3.08Å; L191-H193 PolarHBondContact O-N 3.34Å; L191-L306 HydrophobicContact CD1-CD1 3.69Å; L191-L306 HydrophobicContact CD1-CD2 3.81Å; L191-L306 HydrophobicContact CD1-CG 4.44Å; L191-L311 HydrophobicContact CD2-CB 4.15Å; L191-L311 HydrophobicContact CD2-CD1 4.13Å; L191-L313 HydrophobicContact CD2-CD2 4.29Å; L191-Y344 HydrophobicContact CD1-CD2 4.36Å; L191-L473 HydrophobicContact CD2-CD2 4.1Å
192	D	96.1	Very high	90.1	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.053	23%	0.232	C	C	.	.			trans	-96.4	91.5	174.1	-164.7	-20.6	0	0	0	110.9	R132 R194 Y195 N215 M312	R132-D192 IonicContact CZ-OD2 2.72Å; R132-D192 IonicContact NH1-OD2 3.59Å; R132-D192 PolarHBondContact NH1-OD2 3.33Å; R132-D192 IonicContact NH2-OD2 2.78Å; R132-D192 PolarHBondContact NH2-OD2 3.31Å; D192-R194 PolarHBondContact O-N 3.04Å; D192-R194 WeakPolarHBondContact OD1-CA 3.22Å; D192-R194 WeakPolarHBondContact OD1-CB 3.31Å; D192-R194 PolarHBondContact OD1-N 2.99Å; D192-Y195 PolarHBondContact OD1-N 3.07Å; D192-Y195 VanDerWaalsContact OD1-N 3.16Å; D192-N215 PolarHBondContact O-ND2 3.31Å; D192-M312 HydrophobicContact CB-CB 4.46Å; D192-M312 HydrophobicContact CB-CG 3.96Å; D192-M312 PolarHBondContact N-O 3.11Å
193	H	95.3	Very high	90.4	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.032	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.6	173.7	-70.4	177.6	0	0	0	113.6	I172 L175 A176 L191 P213 Y304	I172-H193 HydrophobicContact CG1-CB 4.06Å; I172-H193 PolarHBondContact O-ND1 3.02Å; I172-H193 VanDerWaalsContact O-ND1 3.14Å; L175-H193 PolarHBondContact O-CE1 3.22Å; A176-H193 HydrophobicContact CB-CB 4Å; A176-H193 WeakPolarHBondContact CB-ND1 3.37Å; L191-H193 PolarHBondContact O-N 3.34Å; H193-P213 HydrophobicContact CB-CG 4.49Å; H193-P213 WeakPolarHBondContact O-CB 3.49Å; H193-Y304 AromaticContact CE1-CZ 3.95Å; H193-Y304 PolarHBondContact CE1-OH 3.49Å; H193-Y304 PolarHBondContact NE2-OH 3.44Å
194	R	92.4	Very high	90.8	Very high	182 Å²	182	46.1 Å²	46.1	69%	0.687	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-11	170.4	-62.4	-176.5	176	-177.8	0.4	112.3	D192 Y196	D192-R194 PolarHBondContact O-N 3.04Å; D192-R194 WeakPolarHBondContact OD1-CA 3.22Å; D192-R194 WeakPolarHBondContact OD1-CB 3.31Å; D192-R194 PolarHBondContact OD1-N 2.99Å; R194-Y196 WeakPolarHBondContact O-CD2 3.22Å; R194-Y196 WeakPolarHBondContact O-CE2 3.13Å
195	Y	94.1	Very high	90.9	Very high	18 Å²	18	45.3 Å²	45.3	7%	0.071	25%	0.251	C	S	.	.			trans	-79.5	129.4	174.9	178.6	-107.6	0	0	0	111.9	L138 D145 D192 A197 Y214 M312	L138-Y195 HydrophobicContact CD1-CE2 4.08Å; L138-Y195 WeakPolarHBondContact CD1-OH 3.36Å; D145-Y195 HydrophobicContact CB-CD2 4.09Å; D145-Y195 HydrophobicContact CB-CE2 3.95Å; D145-Y195 VanDerWaalsContact OD1-CD2 3.28Å; D145-Y195 WeakPolarHBondContact OD1-CD2 3.39Å; D145-Y195 VanDerWaalsContact OD1-CE2 3.3Å; D145-Y195 WeakPolarHBondContact OD1-CE2 3.14Å; D192-Y195 PolarHBondContact OD1-N 3.07Å; D192-Y195 VanDerWaalsContact OD1-N 3.16Å; Y195-A197 HydrophobicContact CD1-CB 4.43Å; Y195-A197 HydrophobicContact CE1-CB 3.56Å; Y195-A197 WeakPolarHBondContact OH-CB 3.14Å; Y195-Y214 AromaticContact CD1-CD1 3.67Å; Y195-Y214 HydrophobicContact CD1-CD1 3.67Å; Y195-Y214 AromaticContact CD1-CG 3.84Å; Y195-Y214 HydrophobicContact CD1-CG 3.84Å; Y195-Y214 AromaticContact CE1-CD1 3.56Å; Y195-Y214 HydrophobicContact CE1-CD1 3.56Å; Y195-Y214 HydrophobicContact CE1-CD2 4.41Å; Y195-Y214 HydrophobicContact CE1-CE1 4.13Å; Y195-Y214 AromaticContact CE1-CG 3.71Å; Y195-Y214 HydrophobicContact CE1-CG 3.71Å; Y195-Y214 WeakPolarHBondContact O-CB 3.47Å; Y195-Y214 PolarHBondContact O-N 2.88Å; Y195-M312 HydrophobicContact CD1-CB 3.5Å; Y195-M312 HydrophobicContact CD1-CE 3.97Å; Y195-M312 HydrophobicContact CD1-CG 3.59Å; Y195-M312 HydrophobicContact CD2-CE 4.49Å; Y195-M312 HydrophobicContact CD2-CG 4.39Å; Y195-M312 HydrophobicContact CE1-CB 4.07Å; Y195-M312 HydrophobicContact CE1-CE 3.53Å; Y195-M312 HydrophobicContact CE1-CG 4.17Å; Y195-M312 HydrophobicContact CE2-CE 4.12Å; Y195-M312 HydrophobicContact CG-CB 4.1Å; Y195-M312 HydrophobicContact CG-CE 4.42Å; Y195-M312 HydrophobicContact CG-CG 3.71Å
196	Y	92.7	Very high	90.9	Very high	26 Å²	26	49.6 Å²	49.6	10%	0.102	27%	0.272	C	S	.	.			trans	-113.9	-11.8	-176.4	-64.5	-75.6	0	0	0	114.4	Q168 R194 G198 G199 R211 P213	Q168-Y196 WeakPolarHBondContact CG-OH 3.35Å; R194-Y196 WeakPolarHBondContact O-CD2 3.22Å; R194-Y196 WeakPolarHBondContact O-CE2 3.13Å; Y196-G198 PolarHBondContact O-N 3.06Å; Y196-G199 WeakPolarHBondContact O-CA 3.47Å; Y196-G199 PolarHBondContact O-N 3.12Å; Y196-R211 HydrophobicContact CD1-CB 4.5Å; Y196-R211 HydrophobicContact CD1-CG 3.62Å; Y196-R211 HydrophobicContact CE1-CB 3.86Å; Y196-R211 VanDerWaalsContact CE1-CD 3.47Å; Y196-R211 HydrophobicContact CE1-CG 3.45Å; Y196-R211 VanDerWaalsContact CE1-CG 3.45Å; Y196-R211 HydrophobicContact CG-CG 4.4Å; Y196-P213 HydrophobicContact CD1-CB 4.32Å; Y196-P213 HydrophobicContact CE1-CB 4.03Å
197	A	90.8	Very high	90.7	Very high	34 Å²	34	53.7 Å²	53.7	28%	0.281	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.9	-176.1	0	0	0	0	0	113.6	Y195 G199 Y214	Y195-A197 HydrophobicContact CD1-CB 4.43Å; Y195-A197 HydrophobicContact CE1-CB 3.56Å; Y195-A197 WeakPolarHBondContact OH-CB 3.14Å; A197-G199 PolarHBondContact O-N 3.5Å; A197-Y214 HydrophobicContact CB-CD2 3.3Å; A197-Y214 HydrophobicContact CB-CE2 3.89Å; A197-Y214 HydrophobicContact CB-CG 3.74Å
198	G	86.6	Confident	90.5	Very high	17 Å²	17	52.9 Å²	52.9	18%	0.175	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	10.9	-175	0	0	0	0	0	114.8	K161 Y196	K161-G198 WeakPolarHBondContact CG-O 3.32Å; Y196-G198 PolarHBondContact O-N 3.06Å
199	G	86.1	Confident	90.3	Very high	33 Å²	33	55.9 Å²	55.9	34%	0.34	30%	0.297	S	S	.	.			trans	-72.1	134.9	171.9	0	0	0	0	0	111.7	Y196 A197 R211	Y196-G199 WeakPolarHBondContact O-CA 3.47Å; Y196-G199 PolarHBondContact O-N 3.12Å; A197-G199 PolarHBondContact O-N 3.5Å; G199-R211 PolarHBondContact O-NE 3.49Å; G199-R211 PolarHBondContact O-NH2 3.41Å
200	C	85.4	Confident	90.2	Very high	31 Å²	31	53.9 Å²	53.9	21%	0.209	28%	0.283	C	S	.	.			trans	-145	18.8	-176.2	-166.7	0	0	0	0	113.9	K161 C162 M166 P202	K161-C200 HydrophobicContact CG-CB 4.03Å; C162-C200 WeakPolarHBondContact CA-SG 3.43Å; C162-C200 HydrophobicContact CB-CB 4.36Å; C162-C200 WeakPolarHBondContact CB-SG 3.12Å; C162-C200 WeakPolarHBondContact SG-CB 3.18Å; C162-C200 CovalentContact SG-SG 2.01Å; C162-C200 PolarHBondContact SG-SG 2.83Å; M166-C200 WeakPolarHBondContact CE-SG 3.38Å; C200-P202 WeakPolarHBondContact O-CD 3.05Å
201	S	81.5	Confident	89.9	Confident	98 Å²	98	54.9 Å²	54.9	69%	0.685	29%	0.286	S	S	*	.			trans	-72	122	175.6	-172.6	0	0	0	0	109.3
202	P	86.5	Confident	89.7	Confident	53 Å²	53	59.2 Å²	59.2	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.8	175.9	28	-33	0	0	0	110.3	M166 C200 Y204	M166-P202 HydrophobicContact SD-CB 3.72Å; C200-P202 WeakPolarHBondContact O-CD 3.05Å; P202-Y204 HydrophobicContact CB-CE2 3.93Å; P202-Y204 HydrophobicContact CG-CE2 3.95Å
203	H	89.4	Confident	89.7	Confident	63 Å²	63	59 Å²	59	29%	0.292	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.2	171.4	-172.7	-105.2	0	0	0	108.6	Y169 F210 Y219	Y169-H203 HydrophobicContact CE1-CB 4.44Å; Y169-H203 AromaticContact CE1-ND1 3.74Å; Y169-H203 PolarHBondContact OH-ND1 2.87Å; H203-F210 HydrophobicContact CB-CB 4.47Å; H203-F210 PolarHBondContact N-O 2.98Å; H203-F210 WeakPolarHBondContact O-CB 3.4Å; H203-F210 PolarHBondContact O-N 3.34Å; H203-Y219 PolarHBondContact CE1-O 3.11Å; H203-Y219 VanDerWaalsContact CE1-O 3.28Å
204	Y	88.8	Confident	89.7	Confident	144 Å²	144	62 Å²	62	57%	0.565	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.3	-175.1	-71	-95.5	0	0	0	110.7	P202 T208 R209	P202-Y204 HydrophobicContact CB-CE2 3.93Å; P202-Y204 HydrophobicContact CG-CE2 3.95Å; Y204-T208 WeakPolarHBondContact CA-O 3.34Å; Y204-R209 HydrophobicContact CD1-CG 3.8Å; Y204-R209 HydrophobicContact CE1-CG 3.21Å; Y204-R209 WeakPolarHBondContact OH-CD 3.22Å
205	I	86.8	Confident	89.9	Confident	9 Å²	9	53.4 Å²	53.4	5%	0.046	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.5	172	-54.5	174.5	0	0	0	106.9	Y169 N207 T208 F210 Y219 P221	Y169-I205 HydrophobicContact CD1-CD1 4.35Å; Y169-I205 HydrophobicContact CE1-CD1 4.16Å; I205-N207 VanDerWaalsContact C-N 3.31Å; I205-N207 PolarHBondContact O-N 2.72Å; I205-T208 PolarHBondContact N-O 2.82Å; I205-T208 VanDerWaalsContact N-O 3.09Å; I205-T208 WeakPolarHBondContact O-CB 3.42Å; I205-T208 PolarHBondContact O-N 3.28Å; I205-F210 HydrophobicContact CB-CD2 3.92Å; I205-F210 HydrophobicContact CB-CE2 3.79Å; I205-F210 HydrophobicContact CD1-CD2 4.09Å; I205-F210 HydrophobicContact CD1-CE2 4.38Å; I205-F210 HydrophobicContact CG1-CD2 4.07Å; I205-F210 HydrophobicContact CG1-CE2 4.38Å; I205-Y219 HydrophobicContact CD1-CD1 3.67Å; I205-Y219 HydrophobicContact CD1-CE1 3.7Å; I205-P221 HydrophobicContact CG1-CG 4.32Å; I205-P221 HydrophobicContact CG2-CB 3.96Å; I205-P221 HydrophobicContact CG2-CG 4.22Å
206	L	83.9	Confident	89.9	Confident	110 Å²	110	52.6 Å²	52.6	58%	0.576	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	48.3	179.3	-58	174.1	0	0	0	113.1	T208 Q457	L206-T208 PolarHBondContact O-N 3.33Å; L206-Q457 HydrophobicContact CD1-CG 3.62Å
207	N	86.4	Confident	90.1	Very high	165 Å²	165	55 Å²	55	88%	0.882	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	5.1	-176.5	-58.2	-35.5	0	0	0	116.1	I205	I205-N207 VanDerWaalsContact C-N 3.31Å; I205-N207 PolarHBondContact O-N 2.72Å
208	T	89.4	Confident	90.3	Very high	39 Å²	39	55.3 Å²	55.3	24%	0.239	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.2	175	-55.6	0	0	0	0	110.1	Y204 I205 L206 F210	Y204-T208 WeakPolarHBondContact CA-O 3.34Å; I205-T208 PolarHBondContact N-O 2.82Å; I205-T208 VanDerWaalsContact N-O 3.09Å; I205-T208 WeakPolarHBondContact O-CB 3.42Å; I205-T208 PolarHBondContact O-N 3.28Å; L206-T208 PolarHBondContact O-N 3.33Å; T208-F210 HydrophobicContact CG2-CD2 4.27Å; T208-F210 HydrophobicContact CG2-CE1 4.21Å; T208-F210 HydrophobicContact CG2-CE2 3.66Å; T208-F210 HydrophobicContact CG2-CZ 3.64Å
209	R	92.9	Very high	90.6	Very high	90 Å²	90	55 Å²	55	34%	0.34	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.9	179.2	-73.5	-177.6	-63.1	174.6	2.8	110.3	H164 M166 D167 Y204	H164-R209 VanDerWaalsContact CB-NH1 3.34Å; M166-R209 WeakPolarHBondContact CA-O 2.79Å; M166-R209 HydrophobicContact CG-CB 4.25Å; D167-R209 PolarHBondContact N-O 3.43Å; Y204-R209 HydrophobicContact CD1-CG 3.8Å; Y204-R209 HydrophobicContact CE1-CG 3.21Å; Y204-R209 WeakPolarHBondContact OH-CD 3.22Å
210	F	93.1	Very high	90.9	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.2	176.3	-67	-79.2	0	0	0	112.5	D167 Q168 Y169 W170 H203 I205 T208	D167-F210 HydrophobicContact CB-CD1 3.94Å; D167-F210 HydrophobicContact CB-CE1 3.98Å; D167-F210 CarbonylContact O-C 3.6Å; D167-F210 VanDerWaalsContact O-CA 3.29Å; D167-F210 WeakPolarHBondContact O-CA 3.21Å; Q168-F210 VanDerWaalsContact O-CD1 3.25Å; Q168-F210 WeakPolarHBondContact O-CD1 3.49Å; Q168-F210 WeakPolarHBondContact O-CE1 3.31Å; Y169-F210 HydrophobicContact CD1-CB 3.6Å; Y169-F210 AromaticContact CD1-CD1 3.83Å; Y169-F210 HydrophobicContact CD1-CD1 3.83Å; Y169-F210 HydrophobicContact CD1-CD2 4.4Å; Y169-F210 AromaticContact CD1-CG 3.68Å; Y169-F210 HydrophobicContact CD1-CG 3.68Å; Y169-F210 HydrophobicContact CE1-CB 3.41Å; Y169-F210 VanDerWaalsContact CE1-CB 3.41Å; Y169-F210 AromaticContact CE1-CG 3.94Å; Y169-F210 HydrophobicContact CE1-CG 3.94Å; W170-F210 HydrophobicContact CD2-CE1 4.27Å; W170-F210 AromaticContact CD2-CZ 3.86Å; W170-F210 HydrophobicContact CD2-CZ 3.86Å; W170-F210 AromaticContact CE2-CZ 3.58Å; W170-F210 HydrophobicContact CE3-CZ 4.12Å; W170-F210 HydrophobicContact CG-CE1 4.47Å; W170-F210 HydrophobicContact CH2-CE2 4.47Å; W170-F210 AromaticContact CH2-CZ 3.94Å; W170-F210 HydrophobicContact CH2-CZ 3.94Å; W170-F210 HydrophobicContact CZ2-CE1 4.49Å; W170-F210 AromaticContact CZ2-CZ 3.65Å; W170-F210 HydrophobicContact CZ2-CZ 3.65Å; W170-F210 HydrophobicContact CZ3-CZ 4.16Å; H203-F210 HydrophobicContact CB-CB 4.47Å; H203-F210 PolarHBondContact N-O 2.98Å; H203-F210 WeakPolarHBondContact O-CB 3.4Å; H203-F210 PolarHBondContact O-N 3.34Å; I205-F210 HydrophobicContact CB-CD2 3.92Å; I205-F210 HydrophobicContact CB-CE2 3.79Å; I205-F210 HydrophobicContact CD1-CD2 4.09Å; I205-F210 HydrophobicContact CD1-CE2 4.38Å; I205-F210 HydrophobicContact CG1-CD2 4.07Å; I205-F210 HydrophobicContact CG1-CE2 4.38Å; T208-F210 HydrophobicContact CG2-CD2 4.27Å; T208-F210 HydrophobicContact CG2-CE1 4.21Å; T208-F210 HydrophobicContact CG2-CE2 3.66Å; T208-F210 HydrophobicContact CG2-CZ 3.64Å
211	R	92.8	Very high	91.1	Very high	20 Å²	20	57.4 Å²	57.4	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.8	171.4	-164.4	179.5	-179.1	-178.5	-1.3	109.7	D143 M166 D167 Y196 G199 P213	D143-R211 IonicContact OD1-CZ 3.96Å; D143-R211 IonicContact OD1-NH1 3.61Å; D143-R211 PolarHBondContact OD1-NH1 3.29Å; D143-R211 IonicContact OD1-NH2 3.42Å; D143-R211 PolarHBondContact OD1-NH2 3.1Å; D143-R211 IonicContact OD2-CZ 2.78Å; D143-R211 IonicContact OD2-NH1 2.77Å; D143-R211 IonicContact OD2-NH2 4Å; D143-R211 PolarHBondContact OD2-NH2 3.05Å; M166-R211 HydrophobicContact CB-CB 3.83Å; M166-R211 HydrophobicContact CE-CB 4.07Å; M166-R211 HydrophobicContact CE-CG 3.76Å; M166-R211 HydrophobicContact SD-CB 4.23Å; M166-R211 HydrophobicContact SD-CG 4.44Å; D167-R211 PolarHBondContact O-N 2.86Å; Y196-R211 HydrophobicContact CD1-CB 4.5Å; Y196-R211 HydrophobicContact CD1-CG 3.62Å; Y196-R211 HydrophobicContact CE1-CB 3.86Å; Y196-R211 VanDerWaalsContact CE1-CD 3.47Å; Y196-R211 HydrophobicContact CE1-CG 3.45Å; Y196-R211 VanDerWaalsContact CE1-CG 3.45Å; Y196-R211 HydrophobicContact CG-CG 4.4Å; G199-R211 PolarHBondContact O-NE 3.49Å; G199-R211 PolarHBondContact O-NH2 3.41Å; R211-P213 WeakPolarHBondContact O-CD 3.25Å
212	K	93.4	Very high	91.2	Very high	94 Å²	94	56.3 Å²	56.3	41%	0.409	28%	0.278	S	S	.	.			trans	-71.2	120.1	177.6	-170.1	172.4	76.6	169.2	0	110.7	Y169 V216 E217	Y169-K212 HydrophobicContact CE2-CB 4.34Å; Y169-K212 HydrophobicContact CE2-CG 4.06Å; Y169-K212 WeakPolarHBondContact OH-CB 3.01Å; K212-V216 HydrophobicContact CG-CB 4.39Å; K212-E217 PolarHBondContact NZ-O 2.98Å
213	P	94.9	Very high	90.2	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.026	30%	0.299	C	S	.	.			trans	-71.8	156.1	177	28.1	-31.6	0	0	0	112.3	I172 H193 Y196 R211 N215 V216	I172-P213 HydrophobicContact CG1-CG 4.37Å; H193-P213 HydrophobicContact CB-CG 4.49Å; H193-P213 WeakPolarHBondContact O-CB 3.49Å; Y196-P213 HydrophobicContact CD1-CB 4.32Å; Y196-P213 HydrophobicContact CE1-CB 4.03Å; R211-P213 WeakPolarHBondContact O-CD 3.25Å; P213-N215 VanDerWaalsContact C-N 3.29Å; P213-N215 PolarHBondContact O-N 3.29Å; P213-V216 HydrophobicContact CG-CB 4.05Å; P213-V216 HydrophobicContact CG-CG2 3.56Å; P213-V216 PolarHBondContact O-N 2.8Å; P213-V216 VanDerWaalsContact O-N 3.13Å
214	Y	95	Very high	88.8	Confident	72 Å²	72	64.9 Å²	64.9	28%	0.282	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.3	-169.8	170.2	-98.4	0	0	0	113.8	Y195 A197 V216 K307 S310 M312	Y195-Y214 AromaticContact CD1-CD1 3.67Å; Y195-Y214 HydrophobicContact CD1-CD1 3.67Å; Y195-Y214 AromaticContact CD1-CG 3.84Å; Y195-Y214 HydrophobicContact CD1-CG 3.84Å; Y195-Y214 AromaticContact CE1-CD1 3.56Å; Y195-Y214 HydrophobicContact CE1-CD1 3.56Å; Y195-Y214 HydrophobicContact CE1-CD2 4.41Å; Y195-Y214 HydrophobicContact CE1-CE1 4.13Å; Y195-Y214 AromaticContact CE1-CG 3.71Å; Y195-Y214 HydrophobicContact CE1-CG 3.71Å; Y195-Y214 WeakPolarHBondContact O-CB 3.47Å; Y195-Y214 PolarHBondContact O-N 2.88Å; A197-Y214 HydrophobicContact CB-CD2 3.3Å; A197-Y214 HydrophobicContact CB-CE2 3.89Å; A197-Y214 HydrophobicContact CB-CG 3.74Å; Y214-V216 VanDerWaalsContact C-N 3.26Å; Y214-V216 PolarHBondContact O-N 3Å; Y214-K307 WeakPolarHBondContact O-CD 3.06Å; Y214-K307 PolarHBondContact O-NZ 3.3Å; Y214-K307 VanDerWaalsContact O-NZ 3.09Å; Y214-K307 PolarHBondContact OH-NZ 2.84Å; Y214-S310 WeakPolarHBondContact CE1-O 3.5Å; Y214-S310 PolarHBondContact OH-O 3.37Å; Y214-M312 HydrophobicContact CD1-CB 4.4Å
215	N	96.3	Very high	87.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.6	-179.3	-75	-8.4	0	0	0	113.2	D192 P213 L306 K307 L311 M312	D192-N215 PolarHBondContact O-ND2 3.31Å; P213-N215 VanDerWaalsContact C-N 3.29Å; P213-N215 PolarHBondContact O-N 3.29Å; N215-L306 HydrophobicContact CB-CD1 4.02Å; N215-L306 WeakPolarHBondContact O-CD1 3.47Å; N215-K307 WeakPolarHBondContact O-CB 3.38Å; N215-K307 WeakPolarHBondContact O-CG 3.39Å; N215-K307 PolarHBondContact O-N 2.98Å; N215-L311 HydrophobicContact CB-CD2 4.35Å; N215-M312 PolarHBondContact ND2-O 3.18Å; N215-M312 WeakPolarHBondContact OD1-CB 3.24Å; N215-M312 PolarHBondContact OD1-N 3.01Å
216	V	96.1	Very high	86.4	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.4	-169.8	-179.8	0	0	0	0	109.9	Y169 I172 K212 P213 Y214 Y304	Y169-V216 HydrophobicContact CE2-CG1 4.44Å; I172-V216 HydrophobicContact CD1-CG2 4.28Å; K212-V216 HydrophobicContact CG-CB 4.39Å; P213-V216 HydrophobicContact CG-CB 4.05Å; P213-V216 HydrophobicContact CG-CG2 3.56Å; P213-V216 PolarHBondContact O-N 2.8Å; P213-V216 VanDerWaalsContact O-N 3.13Å; Y214-V216 VanDerWaalsContact C-N 3.26Å; Y214-V216 PolarHBondContact O-N 3Å; V216-Y304 HydrophobicContact CB-CE2 4.29Å; V216-Y304 HydrophobicContact CG1-CD2 4.09Å; V216-Y304 HydrophobicContact CG1-CE2 3.85Å; V216-Y304 HydrophobicContact CG2-CD2 4.48Å; V216-Y304 HydrophobicContact CG2-CE2 3.54Å
217	E	95.4	Very high	85.9	Confident	75 Å²	75	64.6 Å²	64.6	35%	0.35	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-57.6	178.6	-173.5	-178	170.6	0	0	109.1	K212 K305 K307	K212-E217 PolarHBondContact NZ-O 2.98Å; E217-K305 WeakPolarHBondContact CB-O 3.5Å; E217-K305 PolarHBondContact N-O 3.35Å; E217-K305 IonicContact OE1-NZ 2.82Å; E217-K305 WeakPolarHBondContact OE2-CD 3.41Å; E217-K305 WeakPolarHBondContact OE2-CE 3.42Å; E217-K305 IonicContact OE2-NZ 3.56Å; E217-K307 HydrophobicContact CB-CG 3.87Å
218	S	94.4	Very high	85.4	Confident	41 Å²	41	63 Å²	63	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.4	-178.8	62.3	0	0	0	0	111.9	K305	S218-K305 PolarHBondContact N-O 3.43Å; S218-K305 PolarHBondContact O-N 3.01Å; S218-K305 VanDerWaalsContact OG-CB 3.28Å; S218-K305 WeakPolarHBondContact OG-CB 2.98Å
219	Y	93.8	Very high	85	Confident	11 Å²	11	62.3 Å²	62.3	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	99.1	169.3	-173.8	-84.2	0	0	0	107.1	Y169 H203 I205 A302 H303 Y304 L350	Y169-Y219 AromaticContact CD1-CD1 3.95Å; Y169-Y219 HydrophobicContact CD1-CD1 3.95Å; Y169-Y219 HydrophobicContact CD1-CE1 4.19Å; Y169-Y219 HydrophobicContact CD1-CG 4.24Å; Y169-Y219 HydrophobicContact CD2-CD1 4.36Å; Y169-Y219 AromaticContact CD2-CD2 3.88Å; Y169-Y219 HydrophobicContact CD2-CD2 3.88Å; Y169-Y219 HydrophobicContact CD2-CE2 4.45Å; Y169-Y219 AromaticContact CD2-CG 3.82Å; Y169-Y219 HydrophobicContact CD2-CG 3.82Å; Y169-Y219 HydrophobicContact CE1-CD1 4.01Å; Y169-Y219 HydrophobicContact CE1-CG 4.27Å; Y169-Y219 VanDerWaalsContact CE2-CB 3.5Å; Y169-Y219 HydrophobicContact CE2-CD1 4.4Å; Y169-Y219 HydrophobicContact CE2-CD2 4.29Å; Y169-Y219 AromaticContact CE2-CG 3.83Å; Y169-Y219 HydrophobicContact CE2-CG 3.83Å; Y169-Y219 HydrophobicContact CG-CD1 4.14Å; Y169-Y219 HydrophobicContact CG-CD2 4.13Å; Y169-Y219 HydrophobicContact CG-CE1 4.34Å; Y169-Y219 HydrophobicContact CG-CE2 4.31Å; Y169-Y219 HydrophobicContact CG-CG 4.03Å; H203-Y219 PolarHBondContact CE1-O 3.11Å; H203-Y219 VanDerWaalsContact CE1-O 3.28Å; I205-Y219 HydrophobicContact CD1-CD1 3.67Å; I205-Y219 HydrophobicContact CD1-CE1 3.7Å; Y219-A302 HydrophobicContact CD1-CB 4.39Å; Y219-A302 HydrophobicContact CE1-CB 3.64Å; Y219-A302 HydrophobicContact CE2-CB 3.99Å; Y219-A302 VanDerWaalsContact CZ-CB 3.4Å; Y219-A302 WeakPolarHBondContact OH-CB 3.43Å; Y219-H303 WeakPolarHBondContact CA-O 3.33Å; Y219-Y304 HydrophobicContact CD2-CD2 4.4Å; Y219-L350 HydrophobicContact CE2-CD1 3.67Å
220	T	91.9	Very high	84.7	Confident	63 Å²	63	60.6 Å²	60.6	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	-173.1	52.2	0	0	0	0	109.8	A302 H303	T220-A302 CarbonylContact O-C 3.45Å; T220-A302 VanDerWaalsContact O-CA 3.32Å; T220-A302 WeakPolarHBondContact O-CA 3.42Å; T220-H303 PolarHBondContact N-O 2.89Å; T220-H303 PolarHBondContact O-N 3.44Å
221	P	89.8	Confident	84.4	Confident	52 Å²	52	61.8 Å²	61.8	34%	0.338	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.9	174.3	29.5	-34	0	0	0	110.3	I205 V301	I205-P221 HydrophobicContact CG1-CG 4.32Å; I205-P221 HydrophobicContact CG2-CB 3.96Å; I205-P221 HydrophobicContact CG2-CG 4.22Å; P221-V301 CarbonylContact C-O 3.58Å; P221-V301 WeakPolarHBondContact CA-O 3.18Å
222	Q	83.9	Confident	84.3	Confident	74 Å²	74	66.4 Å²	66.4	35%	0.346	34%	0.337	S	S	.	.			trans	-104.6	126	173	-68.8	-64.8	-16.7	0	0	108.4	E300 V301 H303	Q222-E300 WeakPolarHBondContact CB-O 3.1Å; Q222-V301 PolarHBondContact N-O 3.18Å; Q222-H303 PolarHBondContact NE2-CE1 3.47Å; Q222-H303 VanDerWaalsContact NE2-CE1 3.34Å; Q222-H303 PolarHBondContact NE2-ND1 3.27Å
223	T	65.9	Low	84.2	Confident	127 Å²	127	65.2 Å²	65.2	78%	0.779	33%	0.333	S	S	*	.			trans	-101.5	5.3	-173.4	56.5	0	0	0	0	113.4
224	Q	58.9	Low	84	Confident	170 Å²	170	66.1 Å²	66.1	79%	0.794	34%	0.336	S	S	*	.			trans	-136.6	83.6	-173.4	-67.3	-172.1	-0.9	0	0	111.2
225	G	60	Low	83.6	Confident	33 Å²	33	70.1 Å²	70.1	34%	0.34	36%	0.358	S	S	.	.			trans	-91.2	125.9	157.2	0	0	0	0	0	109.5
226	K	65.1	Low	83.1	Confident	168 Å²	168	72 Å²	72	73%	0.73	37%	0.371	S	S	*	.			trans	-92.8	128.3	160.4	-69.6	-178.7	-179.7	177.5	0	106.7	E228	K226-E228 HydrophobicContact CB-CB 4.3Å; K226-E228 PolarHBondContact O-N 3.43Å
227	Y	73.4	Confident	82.7	Confident	56 Å²	56	72.3 Å²	72.3	22%	0.22	37%	0.372	C	S	.	.			trans	-71.1	45.7	170	-57.1	-68.1	0	0	0	111.3	L299 M449 Q450 W452	Y227-L299 HydrophobicContact CE1-CD2 4.36Å; Y227-M449 HydrophobicContact CD1-CB 4.12Å; Y227-M449 HydrophobicContact CD1-CE 3.8Å; Y227-M449 HydrophobicContact CE1-CB 4.47Å; Y227-M449 VanDerWaalsContact CE1-O 3.27Å; Y227-M449 WeakPolarHBondContact CE1-O 3.46Å; Y227-M449 HydrophobicContact CG-CB 4.28Å; Y227-Q450 HydrophobicContact CE2-CG 4.4Å; Y227-W452 HydrophobicContact CD1-CZ3 4.41Å; Y227-W452 HydrophobicContact CE1-CE3 4.3Å; Y227-W452 HydrophobicContact CE1-CZ3 4.37Å
228	E	76.9	Confident	82.1	Confident	131 Å²	131	70.8 Å²	70.8	61%	0.612	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-84.7	130.2	178.2	-171.4	167.2	-169.8	0	0	108.6	K226 S297	K226-E228 HydrophobicContact CB-CB 4.3Å; K226-E228 PolarHBondContact O-N 3.43Å; E228-S297 PolarHBondContact O-OG 3.33Å; E228-S297 VanDerWaalsContact O-OG 3.05Å
229	F	81.6	Confident	81.7	Confident	25 Å²	25	72.3 Å²	72.3	11%	0.11	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-91.5	122.1	174.2	-80.2	-88.4	0	0	0	109.8	A295 R296 Y354 Y356 F383 P444 M449	F229-A295 HydrophobicContact CD1-CB 3.9Å; F229-R296 WeakPolarHBondContact CA-O 3.31Å; F229-Y354 AromaticContact CE1-CD1 3.84Å; F229-Y354 HydrophobicContact CE1-CD1 3.84Å; F229-Y354 AromaticContact CZ-CD1 3.83Å; F229-Y354 HydrophobicContact CZ-CD1 3.83Å; F229-Y354 HydrophobicContact CZ-CE1 4.36Å; F229-Y356 AromaticContact CD1-CE1 3.89Å; F229-Y356 HydrophobicContact CD1-CE1 3.89Å; F229-Y356 AromaticContact CE1-CD1 3.97Å; F229-Y356 HydrophobicContact CE1-CD1 3.97Å; F229-Y356 AromaticContact CE1-CE1 3.64Å; F229-Y356 HydrophobicContact CE1-CE1 3.64Å; F229-Y356 HydrophobicContact CZ-CE1 4.19Å; F229-F383 HydrophobicContact CD2-CB 4.19Å; F229-P444 HydrophobicContact CE2-CG 4.36Å; F229-P444 HydrophobicContact CZ-CB 4.3Å; F229-P444 HydrophobicContact CZ-CG 3.97Å; F229-M449 HydrophobicContact CE2-CE 4.17Å; F229-M449 HydrophobicContact CE2-SD 4.23Å; F229-M449 HydrophobicContact CZ-CE 3.98Å; F229-M449 HydrophobicContact CZ-SD 3.93Å
230	S	86.7	Confident	81.3	Confident	54 Å²	54	71.8 Å²	71.8	38%	0.378	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124	161.5	66.6	0	0	0	0	108.7	A295 R296	S230-A295 CarbonylContact O-C 3.54Å; S230-A295 WeakPolarHBondContact O-CA 3.42Å; S230-R296 PolarHBondContact N-O 2.85Å; S230-R296 PolarHBondContact O-N 2.98Å; S230-R296 PolarHBondContact OG-O 3.43Å
231	L	86.8	Confident	81	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.9	-179.8	-68	160	0	0	0	108.7	L293 H294 A295 H376 A379 K380	L231-L293 HydrophobicContact CB-CD1 4.48Å; L231-L293 HydrophobicContact CD2-CD1 4.41Å; L231-L293 HydrophobicContact CD2-CD2 4.22Å; L231-L293 HydrophobicContact CD2-CG 4.24Å; L231-H294 CarbonylContact C-O 3.53Å; L231-H294 WeakPolarHBondContact CA-O 3.24Å; L231-A295 HydrophobicContact CD2-CB 3.53Å; L231-H376 VanDerWaalsContact CB-CD2 3.45Å; L231-H376 WeakPolarHBondContact CB-CD2 3.44Å; L231-H376 WeakPolarHBondContact CB-NE2 3.42Å; L231-A379 HydrophobicContact CD1-CB 3.85Å; L231-A379 HydrophobicContact CD2-CB 4.02Å; L231-K380 HydrophobicContact CD1-CB 3.9Å
232	K	90.2	Very high	80.5	Confident	118 Å²	118	70.5 Å²	70.5	51%	0.513	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.8	176	-68.6	-177.3	-176.5	170.7	0	110.2	Y234 H294	K232-Y234 HydrophobicContact CB-CE2 3.87Å; K232-H294 PolarHBondContact N-O 3.23Å; K232-H294 PolarHBondContact O-N 3.18Å
233	E	90.4	Very high	80.3	Confident	69 Å²	69	69.8 Å²	69.8	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.1	-176	-54.7	-176.2	-172.5	0	0	109.5	L293 L372 H376	E233-L293 HydrophobicContact CG-CD1 3.94Å; E233-L372 HydrophobicContact CB-CD1 3.77Å; E233-L372 HydrophobicContact CB-CD2 3.73Å; E233-L372 HydrophobicContact CB-CG 4.38Å; E233-L372 VanDerWaalsContact CD-CD2 3.42Å; E233-L372 HydrophobicContact CG-CD1 4.35Å; E233-L372 HydrophobicContact CG-CD2 3.42Å; E233-L372 VanDerWaalsContact CG-CD2 3.42Å; E233-L372 HydrophobicContact CG-CG 4.45Å; E233-L372 WeakPolarHBondContact OE2-CD2 3.42Å; E233-H376 HydrophobicContact CG-CB 4.44Å; E233-H376 WeakPolarHBondContact OE1-CB 3.41Å; E233-H376 IonicContact OE1-CD2 3.81Å; E233-H376 PolarHBondContact OE1-CD2 2.9Å; E233-H376 VanDerWaalsContact OE1-CD2 3.32Å; E233-H376 IonicContact OE1-CG 3.7Å; E233-H376 IonicContact OE1-ND1 3.8Å
234	Y	90.5	Very high	81	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.09	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125	175.2	-56.8	-83.1	0	0	0	109.9	K232 S236 D239 F240 N243 V244 F292 H294	K232-Y234 HydrophobicContact CB-CE2 3.87Å; Y234-S236 VanDerWaalsContact C-N 3.34Å; Y234-D239 HydrophobicContact CD1-CB 3.96Å; Y234-F240 HydrophobicContact CD2-CB 4.26Å; Y234-F240 AromaticContact CD2-CD2 3.87Å; Y234-F240 HydrophobicContact CD2-CD2 3.87Å; Y234-F240 HydrophobicContact CE2-CD2 4.15Å; Y234-F240 HydrophobicContact CG-CB 4.05Å; Y234-F240 HydrophobicContact CG-CD2 4.5Å; Y234-N243 HydrophobicContact CE1-CB 3.7Å; Y234-V244 HydrophobicContact CE2-CG2 3.96Å; Y234-F292 PolarHBondContact N-O 3.14Å; Y234-F292 PolarHBondContact O-N 3.34Å; Y234-H294 HydrophobicContact CD2-CB 4.3Å; Y234-H294 HydrophobicContact CE2-CB 3.85Å
235	E	87.2	Confident	81.9	Confident	156 Å²	156	56.4 Å²	56.4	73%	0.729	29%	0.285	S	S	*	.	S	Bend	trans	-77.3	-22.5	-179.5	-62.5	-167.8	168.7	0	0	113
236	S	86.8	Confident	82.3	Confident	40 Å²	40	57 Å²	57	28%	0.28	28%	0.279	S	S	.	.	S	Bend	trans	-135.2	155.3	-179	82	0	0	0	0	112.1	Y234 S238 D239 F240	Y234-S236 VanDerWaalsContact C-N 3.34Å; S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 2.86Å; S236-S238 PolarHBondContact OG-N 2.9Å; S236-D239 PolarHBondContact O-N 3.13Å; S236-D239 PolarHBondContact OG-N 3.28Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; S236-F240 PolarHBondContact O-N 3.49Å
237	Y	87.4	Confident	82.1	Confident	8 Å²	8	54.5 Å²	54.5	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-33.6	173	178.1	-91.9	0	0	0	112.1	D239 F240 E241 T282 K283 F285 S286 F292	Y237-D239 VanDerWaalsContact C-N 3.33Å; Y237-D239 PolarHBondContact O-N 2.95Å; Y237-F240 HydrophobicContact CD2-CD1 4.19Å; Y237-F240 HydrophobicContact CE2-CD1 4.09Å; Y237-F240 HydrophobicContact CE2-CE1 4.46Å; Y237-F240 PolarHBondContact O-N 3.38Å; Y237-E241 HydrophobicContact CD1-CB 4.22Å; Y237-E241 HydrophobicContact CE1-CB 3.68Å; Y237-E241 HydrophobicContact CE1-CG 4.15Å; Y237-E241 WeakPolarHBondContact O-CB 3.33Å; Y237-E241 PolarHBondContact O-N 3.27Å; Y237-E241 PolarHBondContact OH-OE1 3.3Å; Y237-T282 VanDerWaalsContact CE2-O 3.24Å; Y237-T282 WeakPolarHBondContact CE2-O 2.98Å; Y237-K283 HydrophobicContact CE1-CD 3.62Å; Y237-K283 WeakPolarHBondContact OH-CD 3.46Å; Y237-F285 HydrophobicContact CD2-CB 4.49Å; Y237-S286 VanDerWaalsContact CG-CA 3.49Å; Y237-F292 HydrophobicContact CD2-CE1 4.08Å; Y237-F292 HydrophobicContact CD2-CE2 4.49Å; Y237-F292 AromaticContact CD2-CZ 3.74Å; Y237-F292 HydrophobicContact CD2-CZ 3.74Å; Y237-F292 HydrophobicContact CG-CZ 4.3Å
238	S	82.8	Confident	81	Confident	42 Å²	42	52.9 Å²	52.9	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-44.1	178.2	-177.1	0	0	0	0	111.2	S236 F240 E241 H242	S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 2.86Å; S236-S238 PolarHBondContact OG-N 2.9Å; S238-F240 VanDerWaalsContact C-N 3.35Å; S238-E241 PolarHBondContact O-N 3.27Å; S238-H242 WeakPolarHBondContact O-CB 3.24Å; S238-H242 PolarHBondContact O-N 3.22Å
239	D	84.5	Confident	79.4	Confident	73 Å²	73	48.3 Å²	48.3	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-38.6	177.8	-59.3	-43.3	0	0	0	111.9	Y234 S236 Y237 N243	Y234-D239 HydrophobicContact CD1-CB 3.96Å; S236-D239 PolarHBondContact O-N 3.13Å; S236-D239 PolarHBondContact OG-N 3.28Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; Y237-D239 VanDerWaalsContact C-N 3.33Å; Y237-D239 PolarHBondContact O-N 2.95Å; D239-N243 WeakPolarHBondContact O-CB 3.29Å; D239-N243 PolarHBondContact O-N 2.89Å; D239-N243 VanDerWaalsContact O-N 3.08Å; D239-N243 PolarHBondContact O-ND2 2.93Å
240	F	87.3	Confident	77.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-49.6	174.9	172.4	-97.6	0	0	0	111.8	Y234 S236 Y237 S238 H242 N243 V244 I245 Y278 T282 F292 H294 T357	Y234-F240 HydrophobicContact CD2-CB 4.26Å; Y234-F240 AromaticContact CD2-CD2 3.87Å; Y234-F240 HydrophobicContact CD2-CD2 3.87Å; Y234-F240 HydrophobicContact CE2-CD2 4.15Å; Y234-F240 HydrophobicContact CG-CB 4.05Å; Y234-F240 HydrophobicContact CG-CD2 4.5Å; S236-F240 PolarHBondContact O-N 3.49Å; Y237-F240 HydrophobicContact CD2-CD1 4.19Å; Y237-F240 HydrophobicContact CE2-CD1 4.09Å; Y237-F240 HydrophobicContact CE2-CE1 4.46Å; Y237-F240 PolarHBondContact O-N 3.38Å; S238-F240 VanDerWaalsContact C-N 3.35Å; F240-H242 PolarHBondContact O-N 3.43Å; F240-N243 PolarHBondContact O-N 2.77Å; F240-V244 HydrophobicContact CD2-CB 4.21Å; F240-V244 HydrophobicContact CD2-CG2 3.7Å; F240-V244 HydrophobicContact CE2-CB 3.98Å; F240-V244 HydrophobicContact CE2-CG1 4.05Å; F240-V244 HydrophobicContact CE2-CG2 3.72Å; F240-V244 HydrophobicContact CG-CG2 4.46Å; F240-V244 HydrophobicContact CZ-CB 4.27Å; F240-V244 HydrophobicContact CZ-CG1 4.13Å; F240-V244 HydrophobicContact CZ-CG2 4.49Å; F240-V244 VanDerWaalsContact O-CB 3.28Å; F240-V244 WeakPolarHBondContact O-CB 3.38Å; F240-V244 WeakPolarHBondContact O-CG2 3.13Å; F240-V244 PolarHBondContact O-N 2.85Å; F240-I245 HydrophobicContact CE1-CD1 4.14Å; F240-I245 HydrophobicContact CE1-CG1 4.5Å; F240-Y278 WeakPolarHBondContact CZ-OH 3.25Å; F240-T282 HydrophobicContact CE1-CG2 4.04Å; F240-T282 HydrophobicContact CZ-CG2 4.28Å; F240-F292 HydrophobicContact CB-CD2 4.44Å; F240-F292 HydrophobicContact CB-CG 4.33Å; F240-F292 HydrophobicContact CD1-CD1 4.43Å; F240-F292 HydrophobicContact CD2-CB 4.23Å; F240-F292 HydrophobicContact CD2-CD1 4.48Å; F240-F292 HydrophobicContact CD2-CG 4.46Å; F240-F292 HydrophobicContact CG-CD1 4.28Å; F240-F292 HydrophobicContact CG-CG 4.31Å; F240-H294 HydrophobicContact CE2-CB 4.3Å; F240-T357 HydrophobicContact CD2-CG2 4.35Å; F240-T357 HydrophobicContact CE2-CG2 3.58Å; F240-T357 HydrophobicContact CZ-CG2 3.84Å
241	E	84.8	Confident	75.2	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.056	27%	0.272	C	S	.	.	I	π-helix	trans	-59.4	-48.2	178.7	179.4	168.5	-121	0	0	110.3	Y237 S238 N243 I245 E246 K283 K547	Y237-E241 HydrophobicContact CD1-CB 4.22Å; Y237-E241 HydrophobicContact CE1-CB 3.68Å; Y237-E241 HydrophobicContact CE1-CG 4.15Å; Y237-E241 WeakPolarHBondContact O-CB 3.33Å; Y237-E241 PolarHBondContact O-N 3.27Å; Y237-E241 PolarHBondContact OH-OE1 3.3Å; S238-E241 PolarHBondContact O-N 3.27Å; E241-N243 PolarHBondContact O-N 3.46Å; E241-I245 HydrophobicContact CG-CB 4.34Å; E241-I245 HydrophobicContact CG-CD1 4.39Å; E241-I245 CarbonylContact O-C 3.59Å; E241-I245 WeakPolarHBondContact O-CA 2.77Å; E241-I245 WeakPolarHBondContact O-CB 3.33Å; E241-I245 PolarHBondContact O-N 2.98Å; E241-E246 HydrophobicContact CG-CG 4.14Å; E241-E246 PolarHBondContact O-N 3.38Å; E241-K283 VanDerWaalsContact CD-NZ 3.31Å; E241-K283 IonicContact OE1-NZ 3.44Å; E241-K283 PolarHBondContact OE1-NZ 2.8Å; E241-K283 IonicContact OE2-NZ 3.53Å; E241-K283 PolarHBondContact OE2-NZ 2.89Å; E241-K547 IonicContact OE2-NZ 2.88Å
242	H	78.7	Confident	73.2	Confident	76 Å²	76	51 Å²	51	35%	0.352	28%	0.276	S	S	.	.	I	π-helix	trans	-60.5	-45.7	178.9	-176.4	-92.8	0	0	0	111.7	S238 F240 K247	S238-H242 WeakPolarHBondContact O-CB 3.24Å; S238-H242 PolarHBondContact O-N 3.22Å; F240-H242 PolarHBondContact O-N 3.43Å; H242-K247 WeakPolarHBondContact O-CA 3.37Å; H242-K247 WeakPolarHBondContact O-CB 3.27Å; H242-K247 PolarHBondContact O-N 2.88Å
243	N	81	Confident	71.1	Confident	59 Å²	59	48.3 Å²	48.3	32%	0.316	28%	0.281	S	S	.	.	I	π-helix	trans	-86.4	-27.5	-172.9	-71.5	-66.4	0	0	0	115.3	Y234 D239 F240 E241	Y234-N243 HydrophobicContact CE1-CB 3.7Å; D239-N243 WeakPolarHBondContact O-CB 3.29Å; D239-N243 PolarHBondContact O-N 2.89Å; D239-N243 VanDerWaalsContact O-N 3.08Å; D239-N243 PolarHBondContact O-ND2 2.93Å; F240-N243 PolarHBondContact O-N 2.77Å; E241-N243 PolarHBondContact O-N 3.46Å
244	V	80.8	Confident	69.2	Low	13 Å²	13	47.4 Å²	47.4	8%	0.079	28%	0.276	C	S	.	.	I	π-helix	trans	-104.5	-39	-174.7	-177.7	0	0	0	0	111.7	Y234 F240	Y234-V244 HydrophobicContact CE2-CG2 3.96Å; F240-V244 HydrophobicContact CD2-CB 4.21Å; F240-V244 HydrophobicContact CD2-CG2 3.7Å; F240-V244 HydrophobicContact CE2-CB 3.98Å; F240-V244 HydrophobicContact CE2-CG1 4.05Å; F240-V244 HydrophobicContact CE2-CG2 3.72Å; F240-V244 HydrophobicContact CG-CG2 4.46Å; F240-V244 HydrophobicContact CZ-CB 4.27Å; F240-V244 HydrophobicContact CZ-CG1 4.13Å; F240-V244 HydrophobicContact CZ-CG2 4.49Å; F240-V244 VanDerWaalsContact O-CB 3.28Å; F240-V244 WeakPolarHBondContact O-CB 3.38Å; F240-V244 WeakPolarHBondContact O-CG2 3.13Å; F240-V244 PolarHBondContact O-N 2.85Å
245	I	77.1	Confident	67.2	Low	4 Å²	4	49.2 Å²	49.2	2%	0.021	29%	0.292	C	S	.	.	I	π-helix	trans	-97.5	-45.1	-174.4	-56.7	176.8	0	0	0	111.2	F240 E241 Y278 I279	F240-I245 HydrophobicContact CE1-CD1 4.14Å; F240-I245 HydrophobicContact CE1-CG1 4.5Å; E241-I245 HydrophobicContact CG-CB 4.34Å; E241-I245 HydrophobicContact CG-CD1 4.39Å; E241-I245 CarbonylContact O-C 3.59Å; E241-I245 WeakPolarHBondContact O-CA 2.77Å; E241-I245 WeakPolarHBondContact O-CB 3.33Å; E241-I245 PolarHBondContact O-N 2.98Å; I245-Y278 HydrophobicContact CG1-CE1 4.42Å; I245-I279 HydrophobicContact CG2-CD1 4.49Å; I245-I279 HydrophobicContact CG2-CG1 4.39Å
246	E	69.3	Low	65.4	Low	46 Å²	46	51.1 Å²	51.1	22%	0.215	30%	0.298	C	S	.	.	I	π-helix	trans	-92.3	-44.8	-172.9	-61.5	-169.9	159	0	0	113.2	E241 A248 A249 S250 R270 K547	E241-E246 HydrophobicContact CG-CG 4.14Å; E241-E246 PolarHBondContact O-N 3.38Å; E246-A248 VanDerWaalsContact C-N 3.29Å; E246-A248 PolarHBondContact O-N 2.9Å; E246-A249 CarbonylContact O-C 3.6Å; E246-A249 WeakPolarHBondContact O-CA 3.31Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.47Å; E246-S250 WeakPolarHBondContact O-CB 3.35Å; E246-S250 PolarHBondContact O-N 2.83Å; E246-R270 IonicContact OE1-NH2 3.23Å; E246-K547 IonicContact OE1-NZ 3.93Å; E246-K547 PolarHBondContact OE1-NZ 3.41Å
247	K	59.7	Low	63.9	Low	114 Å²	114	50.5 Å²	50.5	50%	0.496	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-29.1	-177.4	-174	174.4	-173.8	175.6	0	113.6	H242 A249 S250	H242-K247 WeakPolarHBondContact O-CA 3.37Å; H242-K247 WeakPolarHBondContact O-CB 3.27Å; H242-K247 PolarHBondContact O-N 2.88Å; K247-A249 PolarHBondContact O-N 3.47Å; K247-S250 WeakPolarHBondContact CA-OG 3.36Å; K247-S250 PolarHBondContact O-N 2.91Å
248	A	50.5	Low	63	Low	23 Å²	23	51.2 Å²	51.2	19%	0.19	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-22.5	171	0	0	0	0	0	112	E246 G267	E246-A248 VanDerWaalsContact C-N 3.29Å; E246-A248 PolarHBondContact O-N 2.9Å; A248-G267 VanDerWaalsContact C-CA 3.42Å; A248-G267 WeakPolarHBondContact O-CA 2.99Å; A248-G267 PolarHBondContact O-N 2.89Å
249	A	43.7	Very low	62.5	Low	34 Å²	34	52.8 Å²	52.8	28%	0.281	30%	0.303	S	S	.	.	H	α-helix	trans	-99.1	-19.6	174.7	0	0	0	0	0	113.7	E246 K247	E246-A249 CarbonylContact O-C 3.6Å; E246-A249 WeakPolarHBondContact O-CA 3.31Å; E246-A249 WeakPolarHBondContact O-CB 3.36Å; E246-A249 PolarHBondContact O-N 3.47Å; K247-A249 PolarHBondContact O-N 3.47Å
250	S	40.7	Very low	62.1	Low	71 Å²	71	49.8 Å²	49.8	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-104	7.1	-168.7	84.5	0	0	0	0	115.3	E246 K247 S252	E246-S250 WeakPolarHBondContact O-CB 3.35Å; E246-S250 PolarHBondContact O-N 2.83Å; K247-S250 WeakPolarHBondContact CA-OG 3.36Å; K247-S250 PolarHBondContact O-N 2.91Å; S250-S252 PolarHBondContact O-N 2.91Å
251	S	39.1	Very low	61.4	Low	63 Å²	63	55.1 Å²	55.1	44%	0.441	32%	0.322	S	S	.	.			trans	-69.9	-3.8	171.8	55.9	0	0	0	0	113	G253	S251-G253 PolarHBondContact O-N 3.39Å
252	S	45.4	Very low	61.2	Low	28 Å²	28	56.1 Å²	56.1	20%	0.196	34%	0.336	C	S	.	.			trans	-79.3	64.9	172	62.4	0	0	0	0	111.6	S250 F254	S250-S252 PolarHBondContact O-N 2.91Å; S252-F254 VanDerWaalsContact CB-CE2 3.5Å; S252-F254 WeakPolarHBondContact O-CD2 3.45Å; S252-F254 PolarHBondContact O-N 2.95Å; S252-F254 WeakPolarHBondContact OG-CE2 3.45Å
253	G	45	Very low	61.3	Low	61 Å²	61	56.5 Å²	56.5	63%	0.629	34%	0.339	S	S	*	.			trans	-67.4	87.6	157.6	0	0	0	0	0	107.8	S251 S255	S251-G253 PolarHBondContact O-N 3.39Å; G253-S255 PolarHBondContact O-N 2.03Å
254	F	52	Low	61.3	Low	50 Å²	50	54.9 Å²	54.9	22%	0.219	33%	0.329	C	S	.	.			trans	-66.3	106	-177.8	-65.6	-77.8	0	0	0	109.2	V181 F182 S252 F258 I260	V181-F254 HydrophobicContact CG1-CE1 4.35Å; V181-F254 HydrophobicContact CG1-CZ 3.97Å; F182-F254 HydrophobicContact CD1-CE2 4.11Å; F182-F254 AromaticContact CD1-CZ 3.93Å; F182-F254 HydrophobicContact CD1-CZ 3.93Å; F182-F254 HydrophobicContact CE1-CD2 4.48Å; F182-F254 HydrophobicContact CE1-CE1 4.18Å; F182-F254 AromaticContact CE1-CE2 3.63Å; F182-F254 HydrophobicContact CE1-CE2 3.63Å; F182-F254 AromaticContact CE1-CZ 3.44Å; F182-F254 HydrophobicContact CE1-CZ 3.44Å; F182-F254 VanDerWaalsContact CE1-CZ 3.44Å; F182-F254 HydrophobicContact CZ-CZ 4.45Å; S252-F254 VanDerWaalsContact CB-CE2 3.5Å; S252-F254 WeakPolarHBondContact O-CD2 3.45Å; S252-F254 PolarHBondContact O-N 2.95Å; S252-F254 WeakPolarHBondContact OG-CE2 3.45Å; F254-F258 HydrophobicContact CB-CD1 4.19Å; F254-F258 HydrophobicContact CD1-CB 4.21Å; F254-F258 AromaticContact CD1-CD1 3.69Å; F254-F258 HydrophobicContact CD1-CD1 3.69Å; F254-F258 HydrophobicContact CD1-CG 4.41Å; F254-F258 HydrophobicContact CE1-CD1 4.17Å; F254-F258 AromaticContact CG-CD1 3.91Å; F254-F258 HydrophobicContact CG-CD1 3.91Å; F254-F258 HydrophobicContact CG-CE1 4.43Å; F254-I260 HydrophobicContact CD1-CD1 4.28Å; F254-I260 HydrophobicContact CD1-CG1 4.06Å; F254-I260 HydrophobicContact CE1-CD1 3.73Å; F254-I260 HydrophobicContact CE1-CG1 4Å; F254-I260 HydrophobicContact CZ-CD1 4.36Å
255	S	48.2	Very low	61.3	Low	60 Å²	60	56.7 Å²	56.7	42%	0.42	34%	0.337	S	S	.	.			trans	-66.7	163.2	168.3	69.9	0	0	0	0	110.3	G253 G257 F258 K259	G253-S255 PolarHBondContact O-N 2.03Å; S255-G257 PolarHBondContact O-N 3.42Å; S255-F258 PolarHBondContact O-N 2.94Å; S255-K259 PolarHBondContact OG-O 2.02Å
256	F	48.3	Very low	61	Low	196 Å²	196	57.6 Å²	57.6	86%	0.86	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	113.3	-179.3	-165.5	-92.8	0	0	0	111.3
257	G	56.2	Low	61	Low	28 Å²	28	55.8 Å²	55.8	29%	0.289	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	26	-174.8	0	0	0	0	0	115.6	S255 K259 Y471	S255-G257 PolarHBondContact O-N 3.42Å; G257-K259 PolarHBondContact O-N 3.4Å; G257-Y471 PolarHBondContact O-OH 2.81Å
258	F	68.4	Low	61.7	Low	23 Å²	23	51 Å²	51	10%	0.101	32%	0.315	C	S	.	.	S	Bend	trans	57.3	17.2	170.9	-65.1	-87.6	0	0	0	115.6	F182 F254 S255 H343 P469 L493 E494 Q497	F182-F258 HydrophobicContact CE1-CE1 4.39Å; F182-F258 HydrophobicContact CZ-CD1 4.17Å; F182-F258 AromaticContact CZ-CE1 3.95Å; F182-F258 HydrophobicContact CZ-CE1 3.95Å; F254-F258 HydrophobicContact CB-CD1 4.19Å; F254-F258 HydrophobicContact CD1-CB 4.21Å; F254-F258 AromaticContact CD1-CD1 3.69Å; F254-F258 HydrophobicContact CD1-CD1 3.69Å; F254-F258 HydrophobicContact CD1-CG 4.41Å; F254-F258 HydrophobicContact CE1-CD1 4.17Å; F254-F258 AromaticContact CG-CD1 3.91Å; F254-F258 HydrophobicContact CG-CD1 3.91Å; F254-F258 HydrophobicContact CG-CE1 4.43Å; S255-F258 PolarHBondContact O-N 2.94Å; F258-H343 PolarHBondContact O-NE2 2.77Å; F258-P469 HydrophobicContact CB-CG 4.41Å; F258-L493 HydrophobicContact CB-CD2 3.66Å; F258-L493 HydrophobicContact CD1-CD2 4.1Å; F258-L493 HydrophobicContact CD1-CG 4.18Å; F258-L493 HydrophobicContact CD2-CB 4.46Å; F258-L493 HydrophobicContact CD2-CD2 3.58Å; F258-L493 HydrophobicContact CD2-CG 3.87Å; F258-L493 HydrophobicContact CE1-CG 4.33Å; F258-L493 HydrophobicContact CE2-CB 4.4Å; F258-L493 HydrophobicContact CE2-CD2 4.27Å; F258-L493 HydrophobicContact CE2-CG 4.04Å; F258-L493 HydrophobicContact CG-CD2 3.5Å; F258-L493 VanDerWaalsContact CG-CD2 3.5Å; F258-L493 HydrophobicContact CG-CG 3.96Å; F258-L493 HydrophobicContact CZ-CG 4.28Å; F258-E494 HydrophobicContact CE2-CB 4.18Å; F258-E494 HydrophobicContact CZ-CB 4.24Å; F258-E494 HydrophobicContact CZ-CG 4.48Å; F258-Q497 HydrophobicContact CE1-CB 4.3Å; F258-Q497 HydrophobicContact CE1-CG 4.46Å; F258-Q497 HydrophobicContact CZ-CB 4.49Å; F258-Q497 VanDerWaalsContact CZ-OE1 3.31Å
259	K	72.4	Confident	62.9	Low	74 Å²	74	50.9 Å²	50.9	32%	0.322	31%	0.313	S	S	.	.			trans	-80.2	126.7	175.7	-61.2	-165.8	-179.2	-131.8	0	109.5	S255 G257 P261 E468 P469 E472	S255-K259 PolarHBondContact OG-O 2.02Å; G257-K259 PolarHBondContact O-N 3.4Å; K259-P261 WeakPolarHBondContact O-CD 3.22Å; K259-E468 WeakPolarHBondContact CE-OE1 3.15Å; K259-E468 IonicContact NZ-OE1 2.75Å; K259-E468 PolarHBondContact NZ-OE1 2.87Å; K259-P469 HydrophobicContact CG-CG 4.21Å; K259-E472 WeakPolarHBondContact CE-OE1 3.42Å; K259-E472 IonicContact NZ-OE1 2.77Å; K259-E472 PolarHBondContact NZ-OE1 2.9Å
260	I	75.9	Confident	64.5	Low	10 Å²	10	52.7 Å²	52.7	5%	0.051	31%	0.312	C	S	.	.			trans	-100.3	107.2	174.1	-57.4	177.9	0	0	0	107.3	V181 F254 F264 V467	V181-I260 HydrophobicContact CG1-CD1 3.9Å; F254-I260 HydrophobicContact CD1-CD1 4.28Å; F254-I260 HydrophobicContact CD1-CG1 4.06Å; F254-I260 HydrophobicContact CE1-CD1 3.73Å; F254-I260 HydrophobicContact CE1-CG1 4Å; F254-I260 HydrophobicContact CZ-CD1 4.36Å; I260-F264 HydrophobicContact CB-CE1 4.15Å; I260-F264 HydrophobicContact CD1-CE1 4.07Å; I260-F264 HydrophobicContact CD1-CZ 3.93Å; I260-F264 HydrophobicContact CG2-CD1 3.63Å; I260-F264 HydrophobicContact CG2-CE1 3.63Å; I260-F264 HydrophobicContact CG2-CG 4.45Å; I260-F264 HydrophobicContact CG2-CZ 4.44Å; I260-V467 HydrophobicContact CB-CG2 4.37Å; I260-V467 HydrophobicContact CD1-CG2 4.04Å; I260-V467 HydrophobicContact CG1-CG2 4.5Å
261	P	72.8	Confident	66	Low	112 Å²	112	51.6 Å²	51.6	73%	0.727	30%	0.299	S	S	*	.			trans	-72.9	132.8	179.7	29.5	-33	0	0	0	110.5	K259	K259-P261 WeakPolarHBondContact O-CD 3.22Å
262	G	79.8	Confident	68	Low	34 Å²	34	51.3 Å²	51.3	35%	0.351	30%	0.298	S	S	.	.	S	Bend	trans	84.5	-178	171.2	0	0	0	0	0	114.9	K466	G262-K466 WeakPolarHBondContact O-CG 3.48Å
263	I	81.6	Confident	69.7	Low	84 Å²	84	56 Å²	56	43%	0.431	32%	0.321	S	S	.	.			trans	-88.8	133.1	-179.3	-63.2	168.5	0	0	0	108.7	E347 K464 I465 K466	I263-E347 HydrophobicContact CD1-CG 4.35Å; I263-E347 WeakPolarHBondContact CD1-OE1 3.28Å; I263-K464 HydrophobicContact CG2-CB 3.61Å; I263-K464 HydrophobicContact CG2-CG 4.48Å; I263-I465 CarbonylContact C-O 3.56Å; I263-I465 WeakPolarHBondContact CA-O 3.35Å; I263-K466 HydrophobicContact CG1-CB 4.09Å
264	F	81.2	Confident	71.4	Confident	24 Å²	24	56.1 Å²	56.1	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.1	176.1	66	-82	0	0	0	111.1	I260 L266 K464 I465 V467	I260-F264 HydrophobicContact CB-CE1 4.15Å; I260-F264 HydrophobicContact CD1-CE1 4.07Å; I260-F264 HydrophobicContact CD1-CZ 3.93Å; I260-F264 HydrophobicContact CG2-CD1 3.63Å; I260-F264 HydrophobicContact CG2-CE1 3.63Å; I260-F264 HydrophobicContact CG2-CG 4.45Å; I260-F264 HydrophobicContact CG2-CZ 4.44Å; F264-L266 HydrophobicContact CE2-CD2 4.43Å; F264-K464 CarbonylContact O-C 3.53Å; F264-K464 WeakPolarHBondContact O-CA 3.44Å; F264-I465 HydrophobicContact CD1-CG1 4.49Å; F264-I465 VanDerWaalsContact CD1-O 3.29Å; F264-I465 WeakPolarHBondContact CD1-O 2.99Å; F264-I465 HydrophobicContact CD2-CG1 4.41Å; F264-I465 HydrophobicContact CE1-CG1 4.04Å; F264-I465 HydrophobicContact CE2-CD1 4.03Å; F264-I465 HydrophobicContact CE2-CG1 3.94Å; F264-I465 HydrophobicContact CZ-CD1 3.8Å; F264-I465 HydrophobicContact CZ-CG1 3.74Å; F264-I465 PolarHBondContact N-O 3.41Å; F264-I465 PolarHBondContact O-N 3.43Å; F264-V467 HydrophobicContact CE1-CG1 4.19Å; F264-V467 HydrophobicContact CE1-CG2 3.8Å; F264-V467 HydrophobicContact CZ-CG1 4.01Å; F264-V467 HydrophobicContact CZ-CG2 3.84Å
265	E	80.7	Confident	72.9	Confident	52 Å²	52	54 Å²	54	24%	0.243	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140	176.8	-67.9	-178.3	175.3	0	0	110.9	R296 K464	E265-R296 IonicContact OE1-CZ 3.46Å; E265-R296 IonicContact OE1-NH1 3.8Å; E265-R296 IonicContact OE1-NH2 3.87Å; E265-R296 PolarHBondContact OE1-NH2 2.95Å; E265-R296 IonicContact OE2-CZ 3.47Å; E265-R296 VanDerWaalsContact OE2-CZ 3.25Å; E265-R296 IonicContact OE2-NH1 3.04Å; E265-R296 PolarHBondContact OE2-NH1 3.47Å; E265-R296 IonicContact OE2-NH2 3.47Å; E265-R296 PolarHBondContact OE2-NH2 3.46Å; E265-K464 HydrophobicContact CG-CG 3.72Å
266	L	69.7	Low	74.7	Confident	23 Å²	23	53 Å²	53	12%	0.12	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-72.4	129.7	169.5	-78.5	170.9	0	0	0	110.2	I179 F264 R428 I465	I179-L266 HydrophobicContact CG2-CD2 4.44Å; F264-L266 HydrophobicContact CE2-CD2 4.43Å; L266-R428 PolarHBondContact O-NH1 2.77Å; L266-I465 HydrophobicContact CD1-CD1 3.76Å; L266-I465 HydrophobicContact CD2-CD1 3.55Å; L266-I465 HydrophobicContact CG-CD1 3.45Å; L266-I465 VanDerWaalsContact CG-CD1 3.45Å; L266-I465 HydrophobicContact CG-CG1 4.14Å
267	G	70.8	Confident	76.5	Confident	7 Å²	7	47.9 Å²	47.9	7%	0.072	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66.3	167.5	175.6	0	0	0	0	0	113.5	A248 S269	A248-G267 VanDerWaalsContact C-CA 3.42Å; A248-G267 WeakPolarHBondContact O-CA 2.99Å; A248-G267 PolarHBondContact O-N 2.89Å; G267-S269 PolarHBondContact O-N 3.07Å; G267-S269 VanDerWaalsContact O-N 3.14Å
268	I	74.3	Confident	77.9	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.072	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.8	116.8	174.8	-58.4	174	0	0	0	108.6	R270 Y278 L426	I268-R270 PolarHBondContact O-N 2.96Å; I268-Y278 HydrophobicContact CD1-CD1 3.8Å; I268-Y278 HydrophobicContact CD1-CE1 3.65Å; I268-L426 HydrophobicContact CD1-CD2 3.71Å; I268-L426 HydrophobicContact CG1-CD2 3.93Å
269	S	74.3	Confident	78.9	Confident	20 Å²	20	45.6 Å²	45.6	14%	0.14	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.4	117.9	177.2	179.1	0	0	0	0	110.6	G267 Q271 S272	G267-S269 PolarHBondContact O-N 3.07Å; G267-S269 VanDerWaalsContact O-N 3.14Å; S269-Q271 PolarHBondContact O-N 3.18Å; S269-Q271 PolarHBondContact OG-N 2.92Å; S269-S272 PolarHBondContact O-N 2.89Å; S269-S272 PolarHBondContact OG-N 3.47Å
270	R	77.1	Confident	79.6	Confident	73 Å²	73	47.3 Å²	47.3	28%	0.275	25%	0.247	S	C	.	.	S	Bend	trans	-71.4	-13	173.2	-61.2	-175.6	177.9	172.1	-1.3	112.5	E246 I268 K276 I279 V515 I524	E246-R270 IonicContact OE1-NH2 3.23Å; I268-R270 PolarHBondContact O-N 2.96Å; R270-K276 WeakPolarHBondContact O-CE 3.36Å; R270-K276 WeakPolarHBondContact O-CG 3.4Å; R270-I279 HydrophobicContact CB-CD1 4.48Å; R270-I279 HydrophobicContact CG-CD1 3.81Å; R270-V515 HydrophobicContact CB-CG1 4.43Å; R270-V515 HydrophobicContact CB-CG2 3.92Å; R270-I524 HydrophobicContact CB-CD1 4.47Å
271	Q	74	Confident	80.2	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.22	25%	0.251	C	S	.	.	S	Bend	trans	-89.3	-29.3	179.2	-67.3	-173.6	-11.7	0	0	112.7	T183 S269 V515 L516 K517	T183-Q271 VanDerWaalsContact CG2-NE2 3.27Å; S269-Q271 PolarHBondContact O-N 3.18Å; S269-Q271 PolarHBondContact OG-N 2.92Å; Q271-V515 HydrophobicContact CG-CG1 3.92Å; Q271-L516 PolarHBondContact NE2-O 3.16Å; Q271-K517 HydrophobicContact CG-CG 4.49Å; Q271-K517 PolarHBondContact O-NZ 2.68Å
272	S	80.7	Confident	80.9	Confident	58 Å²	58	43.2 Å²	43.2	41%	0.406	22%	0.216	S	C	.	.	S	Bend	trans	-69.4	137.3	176.2	175.9	0	0	0	0	112.2	S269 R274 G275 K276	S269-S272 PolarHBondContact O-N 2.89Å; S269-S272 PolarHBondContact OG-N 3.47Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.94Å; S272-G275 PolarHBondContact O-N 3.48Å; S272-G275 VanDerWaalsContact O-N 3.13Å; S272-K276 WeakPolarHBondContact O-CG 3.5Å; S272-K276 PolarHBondContact O-N 3.15Å
273	D	80.1	Confident	81.3	Confident	127 Å²	127	41.7 Å²	41.7	68%	0.679	20%	0.2	S	C	*	.	H	α-helix	trans	-60	-36.7	-179.6	-64.5	-33	0	0	0	112.9	K276 H277	D273-K276 PolarHBondContact O-N 3.02Å; D273-H277 WeakPolarHBondContact O-CB 3.45Å; D273-H277 PolarHBondContact O-N 3.44Å
274	R	81.3	Confident	81.5	Confident	63 Å²	63	41 Å²	41	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43	176.3	-166.4	178.5	-169.7	156.8	6.4	111.7	S272 H277 Y278 L426 V427	S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 2.94Å; R274-H277 PolarHBondContact O-N 3.06Å; R274-Y278 WeakPolarHBondContact O-CB 3.28Å; R274-Y278 PolarHBondContact O-N 3.38Å; R274-L426 HydrophobicContact CG-CD1 3.81Å; R274-V427 PolarHBondContact NE-O 3Å; R274-V427 PolarHBondContact NH1-O 3.26Å; R274-V427 PolarHBondContact NH2-O 3.23Å
275	G	82.8	Confident	81.8	Confident	4 Å²	4	40.1 Å²	40.1	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-43.1	175.7	0	0	0	0	0	112.1	S272 H277 Y278 I279	S272-G275 PolarHBondContact O-N 3.48Å; S272-G275 VanDerWaalsContact O-N 3.13Å; G275-H277 VanDerWaalsContact C-N 3.34Å; G275-H277 PolarHBondContact O-N 2.86Å; G275-Y278 PolarHBondContact O-N 3.49Å; G275-I279 VanDerWaalsContact O-CG1 3.31Å; G275-I279 WeakPolarHBondContact O-CG1 3.36Å; G275-I279 PolarHBondContact O-N 3.42Å
276	K	86.4	Confident	81.9	Confident	40 Å²	40	38.7 Å²	38.7	17%	0.174	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-46	172.9	-71.8	-177.1	171.9	-163.2	0	111.9	R270 S272 D273 I279 R280 D522 I524	R270-K276 WeakPolarHBondContact O-CE 3.36Å; R270-K276 WeakPolarHBondContact O-CG 3.4Å; S272-K276 WeakPolarHBondContact O-CG 3.5Å; S272-K276 PolarHBondContact O-N 3.15Å; D273-K276 PolarHBondContact O-N 3.02Å; K276-I279 PolarHBondContact O-N 3.2Å; K276-R280 VanDerWaalsContact O-CB 3.22Å; K276-R280 WeakPolarHBondContact O-CB 3.41Å; K276-R280 PolarHBondContact O-N 2.91Å; K276-D522 IonicContact NZ-OD2 3.93Å; K276-I524 HydrophobicContact CB-CD1 4.33Å; K276-I524 HydrophobicContact CG-CD1 3.8Å; K276-I524 HydrophobicContact CG-CG1 4.08Å
277	H	86.1	Confident	82.2	Confident	88 Å²	88	40 Å²	40	41%	0.407	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-42.2	178.9	-175.6	-97.4	0	0	0	112.1	D273 R274 G275 R280 R281	D273-H277 WeakPolarHBondContact O-CB 3.45Å; D273-H277 PolarHBondContact O-N 3.44Å; R274-H277 PolarHBondContact O-N 3.06Å; G275-H277 VanDerWaalsContact C-N 3.34Å; G275-H277 PolarHBondContact O-N 2.86Å; H277-R280 PolarHBondContact O-N 2.88Å; H277-R281 WeakPolarHBondContact CE1-CD 3.34Å; H277-R281 WeakPolarHBondContact O-CG 3.45Å; H277-R281 PolarHBondContact O-N 2.86Å
278	Y	86.9	Confident	82.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-53.2	174.6	-177	-99.6	0	0	0	111.5	F240 I245 I268 R274 G275 R280 R281 T282 T357 V424 L426	F240-Y278 WeakPolarHBondContact CZ-OH 3.25Å; I245-Y278 HydrophobicContact CG1-CE1 4.42Å; I268-Y278 HydrophobicContact CD1-CD1 3.8Å; I268-Y278 HydrophobicContact CD1-CE1 3.65Å; R274-Y278 WeakPolarHBondContact O-CB 3.28Å; R274-Y278 PolarHBondContact O-N 3.38Å; G275-Y278 PolarHBondContact O-N 3.49Å; Y278-R280 VanDerWaalsContact C-N 3.33Å; Y278-R280 PolarHBondContact O-N 3.22Å; Y278-R281 PolarHBondContact O-N 3.07Å; Y278-R281 VanDerWaalsContact O-N 3.15Å; Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 4.16Å; Y278-T282 HydrophobicContact CE2-CG2 4.3Å; Y278-T282 PolarHBondContact O-N 2.94Å; Y278-T282 PolarHBondContact O-OG1 3.31Å; Y278-T357 PolarHBondContact OH-OG1 3.08Å; Y278-V424 HydrophobicContact CD2-CG1 3.49Å; Y278-V424 VanDerWaalsContact CD2-CG1 3.49Å; Y278-V424 HydrophobicContact CE2-CB 4.37Å; Y278-V424 HydrophobicContact CE2-CG1 3.63Å; Y278-V424 HydrophobicContact CG-CG1 4.46Å; Y278-L426 HydrophobicContact CD1-CD2 4.42Å; Y278-L426 HydrophobicContact CD2-CB 3.75Å; Y278-L426 HydrophobicContact CD2-CD2 4.34Å; Y278-L426 HydrophobicContact CD2-CG 4.48Å; Y278-L426 HydrophobicContact CE2-CB 3.86Å; Y278-L426 HydrophobicContact CG-CB 4.44Å; Y278-L426 HydrophobicContact CG-CD2 4.28Å
279	I	87.9	Confident	83.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-43.9	178.9	-67.1	166.8	0	0	0	110.9	I245 R270 G275 K276 R281 T282 K283 V513 I524	I245-I279 HydrophobicContact CG2-CD1 4.49Å; I245-I279 HydrophobicContact CG2-CG1 4.39Å; R270-I279 HydrophobicContact CB-CD1 4.48Å; R270-I279 HydrophobicContact CG-CD1 3.81Å; G275-I279 VanDerWaalsContact O-CG1 3.31Å; G275-I279 WeakPolarHBondContact O-CG1 3.36Å; G275-I279 PolarHBondContact O-N 3.42Å; K276-I279 PolarHBondContact O-N 3.2Å; I279-R281 VanDerWaalsContact C-N 3.31Å; I279-R281 PolarHBondContact O-N 3.09Å; I279-T282 PolarHBondContact O-N 2.97Å; I279-T282 PolarHBondContact O-OG1 3.29Å; I279-K283 WeakPolarHBondContact O-CB 3.34Å; I279-K283 PolarHBondContact O-N 2.85Å; I279-V513 HydrophobicContact CG2-CG2 4.15Å; I279-I524 HydrophobicContact CB-CG2 4.4Å; I279-I524 HydrophobicContact CD1-CD1 4.39Å; I279-I524 HydrophobicContact CG2-CG2 4.1Å
280	R	87.9	Confident	83.9	Confident	110 Å²	110	46.3 Å²	46.3	42%	0.415	22%	0.215	S	C	.	.	H	α-helix	trans	-57.7	-41.8	176.9	166.7	160	-159.4	-157	5.8	112.7	K276 H277 Y278 I524 C525 I527	K276-R280 VanDerWaalsContact O-CB 3.22Å; K276-R280 WeakPolarHBondContact O-CB 3.41Å; K276-R280 PolarHBondContact O-N 2.91Å; H277-R280 PolarHBondContact O-N 2.88Å; Y278-R280 VanDerWaalsContact C-N 3.33Å; Y278-R280 PolarHBondContact O-N 3.22Å; R280-I524 HydrophobicContact CB-CG2 4.11Å; R280-C525 VanDerWaalsContact CD-O 3.27Å; R280-C525 WeakPolarHBondContact CD-O 3.27Å; R280-C525 WeakPolarHBondContact CG-O 3.38Å; R280-C525 PolarHBondContact NE-O 3.15Å; R280-I527 HydrophobicContact CG-CG1 3.79Å; R280-I527 PolarHBondContact O-N 2.91Å; R280-I527 VanDerWaalsContact O-N 3.13Å
281	R	88.3	Confident	84.5	Confident	35 Å²	35	43.3 Å²	43.3	13%	0.132	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-46.6	178.5	-77.8	-174.8	71.5	178.4	1.5	111.9	H277 Y278 I279 R284 D422 L423 V424 I527	H277-R281 WeakPolarHBondContact CE1-CD 3.34Å; H277-R281 WeakPolarHBondContact O-CG 3.45Å; H277-R281 PolarHBondContact O-N 2.86Å; Y278-R281 PolarHBondContact O-N 3.07Å; Y278-R281 VanDerWaalsContact O-N 3.15Å; I279-R281 VanDerWaalsContact C-N 3.31Å; I279-R281 PolarHBondContact O-N 3.09Å; R281-R284 VanDerWaalsContact O-CD 3.31Å; R281-R284 WeakPolarHBondContact O-CD 3.45Å; R281-R284 VanDerWaalsContact O-CG 3.23Å; R281-R284 WeakPolarHBondContact O-CG 3.32Å; R281-D422 IonicContact CZ-OD1 3.94Å; R281-D422 IonicContact CZ-OD2 3.12Å; R281-D422 IonicContact NE-OD2 3.71Å; R281-D422 IonicContact NH2-OD1 3.16Å; R281-D422 PolarHBondContact NH2-OD1 2.77Å; R281-D422 IonicContact NH2-OD2 3.13Å; R281-D422 PolarHBondContact NH2-OD2 2.59Å; R281-L423 PolarHBondContact NH2-O 3.5Å; R281-V424 HydrophobicContact CB-CG1 4Å; R281-V424 HydrophobicContact CB-CG2 4.09Å; R281-I527 HydrophobicContact CB-CD1 4.29Å; R281-I527 HydrophobicContact CG-CD1 3.56Å
282	T	87.9	Confident	85.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.3	-38.6	-176.3	59	0	0	0	0	112.4	Y237 F240 Y278 I279 R284 F285 V424	Y237-T282 VanDerWaalsContact CE2-O 3.24Å; Y237-T282 WeakPolarHBondContact CE2-O 2.98Å; F240-T282 HydrophobicContact CE1-CG2 4.04Å; F240-T282 HydrophobicContact CZ-CG2 4.28Å; Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 4.16Å; Y278-T282 HydrophobicContact CE2-CG2 4.3Å; Y278-T282 PolarHBondContact O-N 2.94Å; Y278-T282 PolarHBondContact O-OG1 3.31Å; I279-T282 PolarHBondContact O-N 2.97Å; I279-T282 PolarHBondContact O-OG1 3.29Å; T282-R284 PolarHBondContact O-N 2.87Å; T282-F285 WeakPolarHBondContact O-CB 3.5Å; T282-F285 PolarHBondContact O-N 3.22Å; T282-V424 HydrophobicContact CG2-CB 4.31Å; T282-V424 HydrophobicContact CG2-CG1 4.07Å; T282-V424 HydrophobicContact CG2-CG2 4.24Å
283	K	87.7	Confident	85.8	Confident	3 Å²	3	38.3 Å²	38.3	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-18.2	-175.2	-163.8	66.6	176.2	173.5	0	113.7	Y237 E241 I279 F285 S286 N511 P526 D545	Y237-K283 HydrophobicContact CE1-CD 3.62Å; Y237-K283 WeakPolarHBondContact OH-CD 3.46Å; E241-K283 VanDerWaalsContact CD-NZ 3.31Å; E241-K283 IonicContact OE1-NZ 3.44Å; E241-K283 PolarHBondContact OE1-NZ 2.8Å; E241-K283 IonicContact OE2-NZ 3.53Å; E241-K283 PolarHBondContact OE2-NZ 2.89Å; I279-K283 WeakPolarHBondContact O-CB 3.34Å; I279-K283 PolarHBondContact O-N 2.85Å; K283-F285 PolarHBondContact O-N 2.8Å; K283-F285 VanDerWaalsContact O-N 3.11Å; K283-S286 PolarHBondContact O-N 2.91Å; K283-S286 PolarHBondContact O-OG 2.93Å; K283-N511 WeakPolarHBondContact CE-O 3.33Å; K283-P526 HydrophobicContact CB-CB 4.31Å; K283-P526 HydrophobicContact CB-CG 4.07Å; K283-P526 HydrophobicContact CG-CB 4.49Å; K283-P526 HydrophobicContact CG-CG 3.77Å; K283-D545 IonicContact NZ-OD2 3.23Å; K283-D545 PolarHBondContact NZ-OD2 2.9Å
284	R	86.7	Confident	86.3	Confident	68 Å²	68	32.7 Å²	32.7	26%	0.257	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.6	174.2	84.2	-169.6	-170.7	176.2	4.6	113.1	R281 T282 E421 D422 P526 I527	R281-R284 VanDerWaalsContact O-CD 3.31Å; R281-R284 WeakPolarHBondContact O-CD 3.45Å; R281-R284 VanDerWaalsContact O-CG 3.23Å; R281-R284 WeakPolarHBondContact O-CG 3.32Å; T282-R284 PolarHBondContact O-N 2.87Å; R284-E421 PolarHBondContact NH2-O 2.81Å; R284-D422 IonicContact CZ-OD2 3.57Å; R284-D422 VanDerWaalsContact CZ-OD2 3.23Å; R284-D422 IonicContact NE-OD2 3.32Å; R284-D422 IonicContact NH1-OD2 3.73Å; R284-D422 VanDerWaalsContact NH2-CB 3.3Å; R284-D422 VanDerWaalsContact NH2-CG 3.26Å; R284-D422 IonicContact NH2-OD2 2.74Å; R284-D422 PolarHBondContact NH2-OD2 3.33Å; R284-D422 VanDerWaalsContact NH2-OD2 3.12Å; R284-P526 HydrophobicContact CB-CB 4.41Å; R284-I527 HydrophobicContact CB-CB 4.24Å
285	F	86.6	Confident	86.7	Confident	7 Å²	7	29.7 Å²	29.7	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	8.7	-176.8	-60.8	-70.1	0	0	0	114	Y237 T282 K283 H287 T288 F292 V359 E421 D422	Y237-F285 HydrophobicContact CD2-CB 4.49Å; T282-F285 WeakPolarHBondContact O-CB 3.5Å; T282-F285 PolarHBondContact O-N 3.22Å; K283-F285 PolarHBondContact O-N 2.8Å; K283-F285 VanDerWaalsContact O-N 3.11Å; F285-H287 PolarHBondContact O-N 2.88Å; F285-H287 VanDerWaalsContact O-N 3.16Å; F285-T288 VanDerWaalsContact CA-OG1 3.24Å; F285-T288 WeakPolarHBondContact CA-OG1 3.01Å; F285-T288 HydrophobicContact CD1-CG2 4.44Å; F285-T288 WeakPolarHBondContact CD1-OG1 3.41Å; F285-T288 PolarHBondContact O-N 2.83Å; F285-T288 PolarHBondContact O-OG1 2.82Å; F285-T288 VanDerWaalsContact O-OG1 3.12Å; F285-F292 HydrophobicContact CB-CE1 3.99Å; F285-F292 HydrophobicContact CB-CZ 3.64Å; F285-F292 HydrophobicContact CD2-CE1 4.49Å; F285-F292 HydrophobicContact CG-CE1 4.49Å; F285-F292 HydrophobicContact CG-CZ 4.49Å; F285-V359 HydrophobicContact CB-CG1 4.3Å; F285-V359 HydrophobicContact CD1-CG1 3.67Å; F285-V359 HydrophobicContact CD2-CB 4.22Å; F285-V359 HydrophobicContact CD2-CG1 3.73Å; F285-V359 HydrophobicContact CD2-CG2 3.92Å; F285-V359 HydrophobicContact CE1-CB 4.38Å; F285-V359 HydrophobicContact CE1-CG1 3.68Å; F285-V359 HydrophobicContact CE2-CB 3.83Å; F285-V359 HydrophobicContact CE2-CG1 3.72Å; F285-V359 HydrophobicContact CE2-CG2 3.69Å; F285-V359 HydrophobicContact CG-CG1 3.67Å; F285-V359 HydrophobicContact CZ-CB 3.87Å; F285-V359 HydrophobicContact CZ-CG1 3.64Å; F285-V359 HydrophobicContact CZ-CG2 4.26Å; F285-E421 HydrophobicContact CE1-CB 3.65Å; F285-E421 HydrophobicContact CE1-CG 4.4Å; F285-E421 WeakPolarHBondContact CE1-OE2 3.18Å; F285-E421 HydrophobicContact CZ-CB 3.81Å; F285-D422 HydrophobicContact CE2-CB 3.75Å; F285-D422 HydrophobicContact CZ-CB 3.71Å
286	S	82.6	Confident	86.9	Confident	22 Å²	22	31.2 Å²	31.2	15%	0.154	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.2	179.7	61.5	0	0	0	0	113.5	Y237 K283	Y237-S286 VanDerWaalsContact CG-CA 3.49Å; K283-S286 PolarHBondContact O-N 2.91Å; K283-S286 PolarHBondContact O-OG 2.93Å
287	H	77.1	Confident	87	Confident	51 Å²	51	29.3 Å²	29.3	24%	0.236	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	20.1	-172.1	-57.6	-49.2	0	0	0	113.4	F285 N511 P543 D545	F285-H287 PolarHBondContact O-N 2.88Å; F285-H287 VanDerWaalsContact O-N 3.16Å; H287-N511 PolarHBondContact CD2-ND2 2.84Å; H287-N511 PolarHBondContact NE2-ND2 3.44Å; H287-P543 HydrophobicContact CB-CG 3.92Å; H287-P543 PolarHBondContact CD2-O 3.32Å; H287-P543 WeakPolarHBondContact ND1-CB 3.19Å; H287-P543 PolarHBondContact NE2-O 2.74Å; H287-D545 IonicContact CE1-OD1 3.91Å; H287-D545 PolarHBondContact CE1-OD1 3.35Å; H287-D545 VanDerWaalsContact CE1-OD1 3.31Å; H287-D545 IonicContact CE1-OD2 2.69Å; H287-D545 IonicContact NE2-OD2 2.73Å
288	T	80.6	Confident	87	Confident	30 Å²	30	27.5 Å²	27.5	18%	0.184	12%	0.123	C	C	.	.	S	Bend	trans	-101.5	153.2	171.8	50.1	0	0	0	0	108.8	F285 S290 R539	F285-T288 VanDerWaalsContact CA-OG1 3.24Å; F285-T288 WeakPolarHBondContact CA-OG1 3.01Å; F285-T288 HydrophobicContact CD1-CG2 4.44Å; F285-T288 WeakPolarHBondContact CD1-OG1 3.41Å; F285-T288 PolarHBondContact O-N 2.83Å; F285-T288 PolarHBondContact O-OG1 2.82Å; F285-T288 VanDerWaalsContact O-OG1 3.12Å; T288-S290 WeakPolarHBondContact CB-OG 3.33Å; T288-S290 PolarHBondContact O-N 3.5Å; T288-S290 WeakPolarHBondContact OG1-CB 3.44Å; T288-S290 PolarHBondContact OG1-OG 3.3Å; T288-R539 VanDerWaalsContact CG2-NH1 3.32Å
289	K	84.3	Confident	87.1	Confident	139 Å²	139	28.1 Å²	28.1	60%	0.604	13%	0.126	S	C	*	.	S	Bend	trans	-75.7	62.4	168.4	-65.5	-177.2	-172.9	171.4	0	109.1	K362 E363	K289-K362 HydrophobicContact CB-CB 4.37Å; K289-K362 WeakPolarHBondContact O-CB 3.38Å; K289-K362 PolarHBondContact O-N 2.76Å; K289-E363 HydrophobicContact CD-CG 4.33Å; K289-E363 VanDerWaalsContact CD-OE1 3.31Å; K289-E363 WeakPolarHBondContact CD-OE1 3.47Å; K289-E363 IonicContact NZ-OE1 2.91Å; K289-E363 PolarHBondContact NZ-OE1 3.02Å
290	S	89.1	Confident	87.3	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.4	-177.4	-51.6	0	0	0	0	110.2	T288 F292 M360 E421	T288-S290 WeakPolarHBondContact CB-OG 3.33Å; T288-S290 PolarHBondContact O-N 3.5Å; T288-S290 WeakPolarHBondContact OG1-CB 3.44Å; T288-S290 PolarHBondContact OG1-OG 3.3Å; S290-F292 WeakPolarHBondContact O-CE2 3.28Å; S290-M360 CarbonylContact C-O 3.5Å; S290-M360 WeakPolarHBondContact CA-O 3.49Å; S290-E421 WeakPolarHBondContact CB-OE2 3.35Å; S290-E421 PolarHBondContact OG-OE2 3.41Å
291	V	90.9	Very high	87.4	Confident	11 Å²	11	25.6 Å²	25.6	7%	0.067	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.9	177.6	178.8	0	0	0	0	107.8	M360 K362 L372	V291-M360 HydrophobicContact CG1-CE 4.48Å; V291-M360 PolarHBondContact N-O 2.92Å; V291-M360 PolarHBondContact O-N 3.26Å; V291-K362 HydrophobicContact CG2-CB 4.05Å; V291-K362 HydrophobicContact CG2-CD 4.23Å; V291-K362 HydrophobicContact CG2-CG 4.2Å; V291-L372 HydrophobicContact CG1-CB 4.5Å; V291-L372 HydrophobicContact CG1-CD1 3.11Å; V291-L372 HydrophobicContact CG1-CD2 4.46Å; V291-L372 HydrophobicContact CG1-CG 3.47Å; V291-L372 VanDerWaalsContact CG1-CG 3.47Å
292	F	91.6	Very high	87.6	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129	-171.8	-54.7	-103.2	0	0	0	110.3	Y234 Y237 F240 F285 S290 T357 L358 V359	Y234-F292 PolarHBondContact N-O 3.14Å; Y234-F292 PolarHBondContact O-N 3.34Å; Y237-F292 HydrophobicContact CD2-CE1 4.08Å; Y237-F292 HydrophobicContact CD2-CE2 4.49Å; Y237-F292 AromaticContact CD2-CZ 3.74Å; Y237-F292 HydrophobicContact CD2-CZ 3.74Å; Y237-F292 HydrophobicContact CG-CZ 4.3Å; F240-F292 HydrophobicContact CB-CD2 4.44Å; F240-F292 HydrophobicContact CB-CG 4.33Å; F240-F292 HydrophobicContact CD1-CD1 4.43Å; F240-F292 HydrophobicContact CD2-CB 4.23Å; F240-F292 HydrophobicContact CD2-CD1 4.48Å; F240-F292 HydrophobicContact CD2-CG 4.46Å; F240-F292 HydrophobicContact CG-CD1 4.28Å; F240-F292 HydrophobicContact CG-CG 4.31Å; F285-F292 HydrophobicContact CB-CE1 3.99Å; F285-F292 HydrophobicContact CB-CZ 3.64Å; F285-F292 HydrophobicContact CD2-CE1 4.49Å; F285-F292 HydrophobicContact CG-CE1 4.49Å; F285-F292 HydrophobicContact CG-CZ 4.49Å; S290-F292 WeakPolarHBondContact O-CE2 3.28Å; F292-T357 HydrophobicContact CB-CG2 4.24Å; F292-T357 HydrophobicContact CD1-CG2 4.03Å; F292-L358 WeakPolarHBondContact CA-O 3.28Å; F292-V359 HydrophobicContact CD1-CB 4.4Å; F292-V359 HydrophobicContact CD1-CG1 4.12Å; F292-V359 HydrophobicContact CD1-CG2 3.77Å; F292-V359 HydrophobicContact CE1-CB 4.32Å; F292-V359 HydrophobicContact CE1-CG1 3.7Å; F292-V359 HydrophobicContact CE1-CG2 3.76Å; F292-V359 HydrophobicContact CZ-CG1 4.13Å
293	L	89.9	Confident	87.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.4	164.5	-176	73	0	0	0	107.7	L231 E233 T357 L358 M360 L372 V375 H376 A379	L231-L293 HydrophobicContact CB-CD1 4.48Å; L231-L293 HydrophobicContact CD2-CD1 4.41Å; L231-L293 HydrophobicContact CD2-CD2 4.22Å; L231-L293 HydrophobicContact CD2-CG 4.24Å; E233-L293 HydrophobicContact CG-CD1 3.94Å; L293-T357 WeakPolarHBondContact O-CA 3.23Å; L293-L358 HydrophobicContact CB-CB 4.32Å; L293-L358 HydrophobicContact CD2-CD1 4.3Å; L293-L358 PolarHBondContact N-O 2.62Å; L293-L358 PolarHBondContact O-N 2.74Å; L293-M360 HydrophobicContact CB-CE 3.94Å; L293-L372 HydrophobicContact CD1-CD2 4.14Å; L293-V375 HydrophobicContact CD2-CG1 3.78Å; L293-H376 HydrophobicContact CD1-CB 4.05Å; L293-A379 HydrophobicContact CD2-CB 3.97Å
294	H	91.1	Very high	88.3	Confident	9 Å²	9	26.8 Å²	26.8	4%	0.042	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.6	178.2	-177.6	65.1	0	0	0	109.6	L231 K232 Y234 F240 T357	L231-H294 CarbonylContact C-O 3.53Å; L231-H294 WeakPolarHBondContact CA-O 3.24Å; K232-H294 PolarHBondContact N-O 3.23Å; K232-H294 PolarHBondContact O-N 3.18Å; Y234-H294 HydrophobicContact CD2-CB 4.3Å; Y234-H294 HydrophobicContact CE2-CB 3.85Å; F240-H294 HydrophobicContact CE2-CB 4.3Å; H294-T357 PolarHBondContact ND1-OG1 2.83Å
295	A	88.1	Confident	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.6	177.1	0	0	0	0	0	109.5	F229 S230 L231 E355 Y356	F229-A295 HydrophobicContact CD1-CB 3.9Å; S230-A295 CarbonylContact O-C 3.54Å; S230-A295 WeakPolarHBondContact O-CA 3.42Å; L231-A295 HydrophobicContact CD2-CB 3.53Å; A295-E355 VanDerWaalsContact O-CA 3.31Å; A295-E355 WeakPolarHBondContact O-CA 3.47Å; A295-Y356 HydrophobicContact CB-CD1 3.79Å; A295-Y356 HydrophobicContact CB-CD2 3.99Å; A295-Y356 HydrophobicContact CB-CE1 3.29Å; A295-Y356 HydrophobicContact CB-CE2 3.48Å; A295-Y356 VanDerWaalsContact CB-CE2 3.48Å; A295-Y356 HydrophobicContact CB-CG 4.11Å; A295-Y356 VanDerWaalsContact CB-OH 3.27Å; A295-Y356 WeakPolarHBondContact CB-OH 3.28Å; A295-Y356 PolarHBondContact N-O 3.38Å; A295-Y356 PolarHBondContact O-N 2.76Å
296	R	87.9	Confident	89.3	Confident	35 Å²	35	27.8 Å²	27.8	13%	0.132	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.4	-178.8	175.8	174.1	179	171.8	-14.1	111	F229 S230 E265 D298 I353 E355	F229-R296 WeakPolarHBondContact CA-O 3.31Å; S230-R296 PolarHBondContact N-O 2.85Å; S230-R296 PolarHBondContact O-N 2.98Å; S230-R296 PolarHBondContact OG-O 3.43Å; E265-R296 IonicContact OE1-CZ 3.46Å; E265-R296 IonicContact OE1-NH1 3.8Å; E265-R296 IonicContact OE1-NH2 3.87Å; E265-R296 PolarHBondContact OE1-NH2 2.95Å; E265-R296 IonicContact OE2-CZ 3.47Å; E265-R296 VanDerWaalsContact OE2-CZ 3.25Å; E265-R296 IonicContact OE2-NH1 3.04Å; E265-R296 PolarHBondContact OE2-NH1 3.47Å; E265-R296 IonicContact OE2-NH2 3.47Å; E265-R296 PolarHBondContact OE2-NH2 3.46Å; R296-D298 IonicContact CZ-OD1 2.78Å; R296-D298 VanDerWaalsContact CZ-OD1 3.27Å; R296-D298 IonicContact NE-OD1 2.87Å; R296-D298 PolarHBondContact NE-OD1 3.08Å; R296-D298 IonicContact NE-OD2 2.63Å; R296-D298 PolarHBondContact NE-OD2 2.67Å; R296-D298 IonicContact NH2-OD1 3.09Å; R296-D298 PolarHBondContact NH2-OD1 2.84Å; R296-D298 IonicContact NH2-OD2 3.54Å; R296-I353 HydrophobicContact CG-CG2 4.23Å; R296-E355 HydrophobicContact CB-CG 3.82Å; R296-E355 WeakPolarHBondContact CD-OE1 3.43Å; R296-E355 HydrophobicContact CG-CG 3.64Å; R296-E355 IonicContact CZ-OE1 2.83Å; R296-E355 IonicContact NE-OE1 3.84Å; R296-E355 PolarHBondContact NE-OE1 3.31Å; R296-E355 IonicContact NH1-OE1 3.55Å; R296-E355 PolarHBondContact NH1-OE1 2.97Å
297	S	87.4	Confident	89.9	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.1	169.6	-166.7	0	0	0	0	109.8	E228 Y354	E228-S297 PolarHBondContact O-OG 3.33Å; E228-S297 VanDerWaalsContact O-OG 3.05Å; S297-Y354 PolarHBondContact N-O 3.3Å; S297-Y354 PolarHBondContact O-N 2.59Å
298	D	87.3	Confident	90.7	Very high	50 Å²	50	32 Å²	32	27%	0.267	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.7	179.4	-57.3	-70.2	0	0	0	109	R296 I353	R296-D298 IonicContact CZ-OD1 2.78Å; R296-D298 VanDerWaalsContact CZ-OD1 3.27Å; R296-D298 IonicContact NE-OD1 2.87Å; R296-D298 PolarHBondContact NE-OD1 3.08Å; R296-D298 IonicContact NE-OD2 2.63Å; R296-D298 PolarHBondContact NE-OD2 2.67Å; R296-D298 IonicContact NH2-OD1 3.09Å; R296-D298 PolarHBondContact NH2-OD1 2.84Å; R296-D298 IonicContact NH2-OD2 3.54Å; D298-I353 WeakPolarHBondContact OD1-CG1 2.78Å
299	L	89.4	Confident	91.2	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.7	175.4	176.1	61	0	0	0	108.9	Y227 V301 G351 G352 W452 G453 V456	Y227-L299 HydrophobicContact CE1-CD2 4.36Å; L299-V301 HydrophobicContact CD2-CG2 4.46Å; L299-V301 HydrophobicContact CG-CG2 4.16Å; L299-G351 CarbonylContact O-C 3.54Å; L299-G351 WeakPolarHBondContact O-CA 3.17Å; L299-G352 PolarHBondContact N-O 3.32Å; L299-G352 PolarHBondContact O-N 2.83Å; L299-W452 HydrophobicContact CB-CH2 3.63Å; L299-W452 HydrophobicContact CB-CZ3 3.75Å; L299-W452 HydrophobicContact CD2-CE3 4.39Å; L299-W452 HydrophobicContact CD2-CH2 4.43Å; L299-W452 HydrophobicContact CD2-CZ3 4.04Å; L299-G453 VanDerWaalsContact CD2-CA 3.46Å; L299-V456 HydrophobicContact CD2-CB 4.01Å; L299-V456 HydrophobicContact CD2-CG1 4.11Å; L299-V456 HydrophobicContact CD2-CG2 4.32Å
300	E	91.1	Very high	91.5	Very high	53 Å²	53	38.3 Å²	38.3	25%	0.248	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.4	175.1	-48.7	-162.3	166.9	0	0	109.9	Q222 H303 V349 I463 K464	Q222-E300 WeakPolarHBondContact CB-O 3.1Å; E300-H303 IonicContact OE2-CD2 3.37Å; E300-H303 IonicContact OE2-CE1 2.7Å; E300-H303 IonicContact OE2-NE2 3.5Å; E300-H303 PolarHBondContact OE2-NE2 3.49Å; E300-V349 HydrophobicContact CB-CG1 3.92Å; E300-V349 HydrophobicContact CG-CG1 3.81Å; E300-I463 HydrophobicContact CG-CD1 4Å; E300-K464 IonicContact OE1-NZ 3.28Å; E300-K464 PolarHBondContact OE1-NZ 3.18Å
301	V	90.5	Very high	91.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-35.2	-176.6	168.4	0	0	0	0	112.3	P221 Q222 L299 L350 V456 Q457	P221-V301 CarbonylContact C-O 3.58Å; P221-V301 WeakPolarHBondContact CA-O 3.18Å; Q222-V301 PolarHBondContact N-O 3.18Å; L299-V301 HydrophobicContact CD2-CG2 4.46Å; L299-V301 HydrophobicContact CG-CG2 4.16Å; V301-L350 PolarHBondContact N-O 2.91Å; V301-V456 HydrophobicContact CG2-CG1 3.7Å; V301-Q457 VanDerWaalsContact CG1-CD 3.5Å; V301-Q457 VanDerWaalsContact CG1-OE1 3.3Å
302	A	92.2	Very high	92	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.6	178.5	0	0	0	0	0	112.2	Y219 T220 L350	Y219-A302 HydrophobicContact CD1-CB 4.39Å; Y219-A302 HydrophobicContact CE1-CB 3.64Å; Y219-A302 HydrophobicContact CE2-CB 3.99Å; Y219-A302 VanDerWaalsContact CZ-CB 3.4Å; Y219-A302 WeakPolarHBondContact OH-CB 3.43Å; T220-A302 CarbonylContact O-C 3.45Å; T220-A302 VanDerWaalsContact O-CA 3.32Å; T220-A302 WeakPolarHBondContact O-CA 3.42Å; A302-L350 HydrophobicContact CB-CB 4.25Å; A302-L350 HydrophobicContact CB-CD1 4.49Å; A302-L350 PolarHBondContact N-O 3.13Å; A302-L350 VanDerWaalsContact N-O 3.12Å; A302-L350 PolarHBondContact O-N 3.27Å
303	H	94.6	Very high	92.3	Very high	61 Å²	61	40.7 Å²	40.7	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.5	170.1	-66.9	-173.3	0	0	0	109.2	Y219 T220 Q222 E300	Y219-H303 WeakPolarHBondContact CA-O 3.33Å; T220-H303 PolarHBondContact N-O 2.89Å; T220-H303 PolarHBondContact O-N 3.44Å; Q222-H303 PolarHBondContact NE2-CE1 3.47Å; Q222-H303 VanDerWaalsContact NE2-CE1 3.34Å; Q222-H303 PolarHBondContact NE2-ND1 3.27Å; E300-H303 IonicContact OE2-CD2 3.37Å; E300-H303 IonicContact OE2-CE1 2.7Å; E300-H303 IonicContact OE2-NE2 3.5Å; E300-H303 PolarHBondContact OE2-NE2 3.49Å
304	Y	95.7	Very high	92.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.4	-177.5	166.8	-94.8	0	0	0	110.2	I172 L175 H193 V216 Y219 L306 I345 E347 A348	I172-Y304 HydrophobicContact CD1-CD2 4.3Å; I172-Y304 HydrophobicContact CD1-CE2 4.03Å; L175-Y304 HydrophobicContact CB-CE2 4.39Å; L175-Y304 HydrophobicContact CD1-CD1 4.18Å; L175-Y304 HydrophobicContact CD1-CD2 3.55Å; L175-Y304 HydrophobicContact CD1-CE2 4Å; L175-Y304 HydrophobicContact CD1-CG 3.62Å; L175-Y304 HydrophobicContact CD2-CD1 4.01Å; L175-Y304 HydrophobicContact CD2-CE1 4.41Å; L175-Y304 HydrophobicContact CD2-CG 4.23Å; L175-Y304 HydrophobicContact CG-CG 4.45Å; H193-Y304 AromaticContact CE1-CZ 3.95Å; H193-Y304 PolarHBondContact CE1-OH 3.49Å; H193-Y304 PolarHBondContact NE2-OH 3.44Å; V216-Y304 HydrophobicContact CB-CE2 4.29Å; V216-Y304 HydrophobicContact CG1-CD2 4.09Å; V216-Y304 HydrophobicContact CG1-CE2 3.85Å; V216-Y304 HydrophobicContact CG2-CD2 4.48Å; V216-Y304 HydrophobicContact CG2-CE2 3.54Å; Y219-Y304 HydrophobicContact CD2-CD2 4.4Å; Y304-L306 HydrophobicContact CE1-CB 4.13Å; Y304-L306 WeakPolarHBondContact OH-CD1 3.4Å; Y304-I345 HydrophobicContact CD1-CG2 4.34Å; Y304-I345 HydrophobicContact CE1-CG2 4.2Å; Y304-E347 WeakPolarHBondContact O-CA 3.09Å; Y304-A348 HydrophobicContact CD1-CB 4.07Å; Y304-A348 PolarHBondContact N-O 2.99Å; Y304-A348 PolarHBondContact O-N 3.42Å
305	K	96.8	Very high	92.8	Very high	87 Å²	87	44.6 Å²	44.6	38%	0.378	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.3	172.4	-164	176.8	176.2	-166.8	0	111.4	E217 S218	E217-K305 WeakPolarHBondContact CB-O 3.5Å; E217-K305 PolarHBondContact N-O 3.35Å; E217-K305 IonicContact OE1-NZ 2.82Å; E217-K305 WeakPolarHBondContact OE2-CD 3.41Å; E217-K305 WeakPolarHBondContact OE2-CE 3.42Å; E217-K305 IonicContact OE2-NZ 3.56Å; S218-K305 PolarHBondContact N-O 3.43Å; S218-K305 PolarHBondContact O-N 3.01Å; S218-K305 VanDerWaalsContact OG-CB 3.28Å; S218-K305 WeakPolarHBondContact OG-CB 2.98Å
306	L	97.3	Very high	93.1	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	145.5	174.7	-172.1	71.8	0	0	0	110.3	L191 N215 Y304 L311 Y344 I345 T346	L191-L306 HydrophobicContact CD1-CD1 3.69Å; L191-L306 HydrophobicContact CD1-CD2 3.81Å; L191-L306 HydrophobicContact CD1-CG 4.44Å; N215-L306 HydrophobicContact CB-CD1 4.02Å; N215-L306 WeakPolarHBondContact O-CD1 3.47Å; Y304-L306 HydrophobicContact CE1-CB 4.13Å; Y304-L306 WeakPolarHBondContact OH-CD1 3.4Å; L306-L311 HydrophobicContact CD1-CD2 3.82Å; L306-L311 HydrophobicContact CD2-CD1 3.66Å; L306-L311 HydrophobicContact CD2-CD2 4.18Å; L306-L311 HydrophobicContact CG-CD1 4.24Å; L306-L311 HydrophobicContact CG-CD2 3.81Å; L306-Y344 HydrophobicContact CD2-CD2 3.94Å; L306-Y344 HydrophobicContact CD2-CE2 3.71Å; L306-I345 WeakPolarHBondContact CD2-O 3.15Å; L306-T346 VanDerWaalsContact CB-O 3.26Å; L306-T346 WeakPolarHBondContact CB-O 3.33Å; L306-T346 PolarHBondContact N-O 3.34Å
307	K	96	Very high	93.5	Very high	49 Å²	49	47.5 Å²	47.5	21%	0.213	23%	0.232	C	C	.	.			trans	-58.7	145.3	172.1	-74.9	167.3	68.4	178.2	0	111.4	Y214 N215 E217 R309 L311	Y214-K307 WeakPolarHBondContact O-CD 3.06Å; Y214-K307 PolarHBondContact O-NZ 3.3Å; Y214-K307 VanDerWaalsContact O-NZ 3.09Å; Y214-K307 PolarHBondContact OH-NZ 2.84Å; N215-K307 WeakPolarHBondContact O-CB 3.38Å; N215-K307 WeakPolarHBondContact O-CG 3.39Å; N215-K307 PolarHBondContact O-N 2.98Å; E217-K307 HydrophobicContact CB-CG 3.87Å; K307-R309 PolarHBondContact O-N 3.26Å; K307-L311 HydrophobicContact CB-CD2 3.93Å; K307-L311 WeakPolarHBondContact O-CD2 3.13Å
308	P	93.6	Very high	93.9	Very high	113 Å²	113	48.1 Å²	48.1	73%	0.734	24%	0.236	S	C	*	.	S	Bend	trans	-73	-25.3	-175.2	27.4	-35.4	0	0	0	113.9
309	R	90.7	Very high	94.1	Very high	208 Å²	208	47.9 Å²	47.9	79%	0.785	23%	0.233	S	C	*	.	S	Bend	trans	-151.5	168.5	-175.6	-63.9	-173.4	-175.6	169	2	111.3	K307	K307-R309 PolarHBondContact O-N 3.26Å
310	S	90.6	Very high	94.4	Very high	92 Å²	92	49.2 Å²	49.2	64%	0.643	24%	0.237	S	C	*	.			trans	56.3	51.6	176.2	-55.5	0	0	0	0	112	Y214	Y214-S310 WeakPolarHBondContact CE1-O 3.5Å; Y214-S310 PolarHBondContact OH-O 3.37Å
311	L	95.4	Very high	94.6	Very high	24 Å²	24	47 Å²	47	13%	0.126	23%	0.227	C	C	.	.			trans	-82.8	144.7	178.7	-62.6	173.7	0	0	0	110.6	L191 N215 L306 K307 Y344 L473	L191-L311 HydrophobicContact CD2-CB 4.15Å; L191-L311 HydrophobicContact CD2-CD1 4.13Å; N215-L311 HydrophobicContact CB-CD2 4.35Å; L306-L311 HydrophobicContact CD1-CD2 3.82Å; L306-L311 HydrophobicContact CD2-CD1 3.66Å; L306-L311 HydrophobicContact CD2-CD2 4.18Å; L306-L311 HydrophobicContact CG-CD1 4.24Å; L306-L311 HydrophobicContact CG-CD2 3.81Å; K307-L311 HydrophobicContact CB-CD2 3.93Å; K307-L311 WeakPolarHBondContact O-CD2 3.13Å; L311-Y344 HydrophobicContact CD1-CE2 4.48Å; L311-L473 HydrophobicContact CD1-CD2 3.85Å
312	M	95.3	Very high	94.7	Very high	32 Å²	32	51.3 Å²	51.3	16%	0.158	25%	0.245	C	C	.	.			trans	-87.3	114	170.1	-172.2	56.4	64.9	0	0	109.8	R132 D192 Y195 Y214 N215	R132-M312 HydrophobicContact CG-SD 4.38Å; D192-M312 HydrophobicContact CB-CB 4.46Å; D192-M312 HydrophobicContact CB-CG 3.96Å; D192-M312 PolarHBondContact N-O 3.11Å; Y195-M312 HydrophobicContact CD1-CB 3.5Å; Y195-M312 HydrophobicContact CD1-CE 3.97Å; Y195-M312 HydrophobicContact CD1-CG 3.59Å; Y195-M312 HydrophobicContact CD2-CE 4.49Å; Y195-M312 HydrophobicContact CD2-CG 4.39Å; Y195-M312 HydrophobicContact CE1-CB 4.07Å; Y195-M312 HydrophobicContact CE1-CE 3.53Å; Y195-M312 HydrophobicContact CE1-CG 4.17Å; Y195-M312 HydrophobicContact CE2-CE 4.12Å; Y195-M312 HydrophobicContact CG-CB 4.1Å; Y195-M312 HydrophobicContact CG-CE 4.42Å; Y195-M312 HydrophobicContact CG-CG 3.71Å; Y214-M312 HydrophobicContact CD1-CB 4.4Å; N215-M312 PolarHBondContact ND2-O 3.18Å; N215-M312 WeakPolarHBondContact OD1-CB 3.24Å; N215-M312 PolarHBondContact OD1-N 3.01Å
313	L	96.8	Very high	94.7	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-75.6	147.7	177.3	-56	-177.5	0	0	0	111	R132 L191 F317 L318 L473 F479	R132-L313 PolarHBondContact NH2-O 3.05Å; L191-L313 HydrophobicContact CD2-CD2 4.29Å; L313-F317 HydrophobicContact CB-CD1 4.46Å; L313-F317 HydrophobicContact CD1-CD1 4.33Å; L313-F317 HydrophobicContact CD1-CE1 4.38Å; L313-L318 HydrophobicContact CD1-CD1 4.37Å; L313-L473 HydrophobicContact CD2-CB 3.96Å; L313-L473 HydrophobicContact CD2-CD1 4.25Å; L313-L473 HydrophobicContact CD2-CD2 4Å; L313-L473 HydrophobicContact CD2-CG 4.29Å; L313-F479 HydrophobicContact CD1-CE2 3.62Å; L313-F479 HydrophobicContact CD1-CZ 3.69Å
314	H	97.1	Very high	94.7	Very high	25 Å²	25	55.6 Å²	55.6	12%	0.116	26%	0.259	C	S	.	.			trans	-61.2	139.2	169.7	-165.5	-103.6	0	0	0	109.7	S189 V190 E316 F317 L318	S189-H314 VanDerWaalsContact O-CB 3.24Å; S189-H314 WeakPolarHBondContact O-CB 3.43Å; V190-H314 PolarHBondContact O-N 3.46Å; H314-E316 VanDerWaalsContact C-N 3.31Å; H314-E316 IonicContact CE1-OE2 3.94Å; H314-E316 IonicContact ND1-OE2 3.7Å; H314-E316 PolarHBondContact O-N 3.36Å; H314-F317 HydrophobicContact CB-CB 4.42Å; H314-F317 PolarHBondContact O-N 3.05Å; H314-L318 WeakPolarHBondContact O-CB 3.36Å; H314-L318 PolarHBondContact O-N 2.91Å
315	Y	94.2	Very high	94.6	Very high	67 Å²	67	55.5 Å²	55.5	26%	0.263	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-34.5	-171.8	58.1	-90.5	0	0	0	112.7	T130 L318 Q319	T130-Y315 HydrophobicContact CG2-CD1 4.35Å; T130-Y315 HydrophobicContact CG2-CD2 3.74Å; T130-Y315 HydrophobicContact CG2-CE2 4.46Å; T130-Y315 HydrophobicContact CG2-CG 3.68Å; Y315-L318 PolarHBondContact O-N 3.32Å; Y315-Q319 WeakPolarHBondContact O-CB 3.04Å; Y315-Q319 VanDerWaalsContact O-CG 3.29Å; Y315-Q319 WeakPolarHBondContact O-CG 3.45Å; Y315-Q319 PolarHBondContact O-N 3.09Å
316	E	95.4	Very high	94.4	Very high	96 Å²	96	53 Å²	53	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-44.8	176.3	-61.2	-177	150.5	0	0	111.6	H314 Q319 R320 F340	H314-E316 VanDerWaalsContact C-N 3.31Å; H314-E316 IonicContact CE1-OE2 3.94Å; H314-E316 IonicContact ND1-OE2 3.7Å; H314-E316 PolarHBondContact O-N 3.36Å; E316-Q319 PolarHBondContact O-N 3.44Å; E316-R320 WeakPolarHBondContact O-CB 3.48Å; E316-R320 PolarHBondContact O-N 2.92Å; E316-F340 HydrophobicContact CB-CZ 4.23Å
317	F	96.6	Very high	94.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-45.6	175.3	-179.9	-107.8	0	0	0	111	V190 L313 H314 Q319 R320 V321 L336 F340 L470 L473	V190-F317 HydrophobicContact CB-CD1 4.42Å; V190-F317 HydrophobicContact CB-CD2 4.43Å; V190-F317 HydrophobicContact CB-CG 4.26Å; V190-F317 HydrophobicContact CG1-CD2 3.89Å; V190-F317 HydrophobicContact CG1-CE2 4.18Å; V190-F317 HydrophobicContact CG1-CG 4.18Å; L313-F317 HydrophobicContact CB-CD1 4.46Å; L313-F317 HydrophobicContact CD1-CD1 4.33Å; L313-F317 HydrophobicContact CD1-CE1 4.38Å; H314-F317 HydrophobicContact CB-CB 4.42Å; H314-F317 PolarHBondContact O-N 3.05Å; F317-Q319 VanDerWaalsContact C-N 3.32Å; F317-Q319 PolarHBondContact O-N 2.93Å; F317-R320 PolarHBondContact O-N 3.35Å; F317-V321 HydrophobicContact CD1-CG2 4.34Å; F317-V321 HydrophobicContact CD2-CG2 4.23Å; F317-V321 HydrophobicContact CE1-CG2 3.96Å; F317-V321 HydrophobicContact CE2-CG2 3.85Å; F317-V321 HydrophobicContact CG-CG2 4.47Å; F317-V321 HydrophobicContact CZ-CG2 3.7Å; F317-V321 WeakPolarHBondContact O-CG2 3.47Å; F317-V321 PolarHBondContact O-N 2.02Å; F317-L336 HydrophobicContact CD2-CD1 4.24Å; F317-L336 HydrophobicContact CE2-CD1 3.98Å; F317-F340 HydrophobicContact CB-CD1 4.12Å; F317-F340 HydrophobicContact CB-CE1 3.83Å; F317-F340 HydrophobicContact CB-CZ 4.19Å; F317-F340 HydrophobicContact CD2-CB 4.07Å; F317-F340 AromaticContact CD2-CD1 3.86Å; F317-F340 HydrophobicContact CD2-CD1 3.86Å; F317-F340 AromaticContact CD2-CD2 3.95Å; F317-F340 HydrophobicContact CD2-CD2 3.95Å; F317-F340 HydrophobicContact CD2-CE1 4.28Å; F317-F340 HydrophobicContact CD2-CE2 4.37Å; F317-F340 AromaticContact CD2-CG 3.68Å; F317-F340 HydrophobicContact CD2-CG 3.68Å; F317-F340 HydrophobicContact CE2-CB 4.3Å; F317-F340 HydrophobicContact CE2-CG 4.36Å; F317-F340 HydrophobicContact CG-CD1 4.43Å; F317-L470 HydrophobicContact CE2-CD1 4.41Å; F317-L470 HydrophobicContact CZ-CD2 4.44Å; F317-L473 HydrophobicContact CE1-CB 4.19Å; F317-L473 HydrophobicContact CE1-CD1 4.12Å; F317-L473 HydrophobicContact CZ-CD1 4.49Å
318	L	94.6	Very high	94.2	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-55.6	-46.4	175.6	178.2	69	0	0	0	111.6	L313 H314 Y315 K322 F479	L313-L318 HydrophobicContact CD1-CD1 4.37Å; H314-L318 WeakPolarHBondContact O-CB 3.36Å; H314-L318 PolarHBondContact O-N 2.91Å; Y315-L318 PolarHBondContact O-N 3.32Å; L318-K322 HydrophobicContact CG-CD 4.46Å; L318-K322 WeakPolarHBondContact O-CG 3.36Å; L318-K322 PolarHBondContact O-N 3.38Å; L318-F479 HydrophobicContact CD1-CE1 3.64Å; L318-F479 HydrophobicContact CD1-CE2 4.44Å; L318-F479 HydrophobicContact CD1-CZ 3.56Å
319	Q	93	Very high	94.3	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.21	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-42	177.9	-74.3	-176.8	-10	0	0	112.2	Q129 T130 Y315 E316 F317 V321 K322 R323	Q129-Q319 PolarHBondContact O-NE2 3.41Å; T130-Q319 VanDerWaalsContact CA-NE2 3.34Å; T130-Q319 PolarHBondContact O-NE2 3.39Å; T130-Q319 VanDerWaalsContact O-NE2 3.08Å; Y315-Q319 WeakPolarHBondContact O-CB 3.04Å; Y315-Q319 VanDerWaalsContact O-CG 3.29Å; Y315-Q319 WeakPolarHBondContact O-CG 3.45Å; Y315-Q319 PolarHBondContact O-N 3.09Å; E316-Q319 PolarHBondContact O-N 3.44Å; F317-Q319 VanDerWaalsContact C-N 3.32Å; F317-Q319 PolarHBondContact O-N 2.93Å; Q319-V321 PolarHBondContact O-N 3.34Å; Q319-K322 PolarHBondContact O-N 3.36Å; Q319-R323 WeakPolarHBondContact O-CG 3.41Å; Q319-R323 PolarHBondContact O-N 3.3Å; Q319-R323 VanDerWaalsContact O-N 3.17Å
320	R	95.6	Very high	94.6	Very high	43 Å²	43	40.4 Å²	40.4	16%	0.162	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-45.3	178.4	-168	67.3	168.2	120.3	-7.4	110.9	E316 F317 R323 L324 E332 D335 L336 D339 F340	E316-R320 WeakPolarHBondContact O-CB 3.48Å; E316-R320 PolarHBondContact O-N 2.92Å; F317-R320 PolarHBondContact O-N 3.35Å; R320-R323 PolarHBondContact O-N 3.03Å; R320-R323 VanDerWaalsContact O-N 3.15Å; R320-L324 PolarHBondContact O-N 3.24Å; R320-E332 IonicContact CZ-OE2 2.84Å; R320-E332 IonicContact NH1-OE2 2.64Å; R320-E332 PolarHBondContact NH1-OE2 2.82Å; R320-E332 IonicContact NH2-OE2 3.1Å; R320-D335 IonicContact NH2-OD2 2.78Å; R320-L336 HydrophobicContact CB-CD1 4.12Å; R320-L336 HydrophobicContact CG-CD1 3.59Å; R320-D339 IonicContact NE-OD2 2.77Å; R320-F340 HydrophobicContact CB-CE2 3.94Å; R320-F340 HydrophobicContact CG-CE2 3.98Å
321	V	94.8	Very high	94.8	Very high	5 Å²	5	36 Å²	36	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-39	177.8	177.3	0	0	0	0	111.7	F317 Q319 R323 L324 L336 V474 F479 V485	F317-V321 HydrophobicContact CD1-CG2 4.34Å; F317-V321 HydrophobicContact CD2-CG2 4.23Å; F317-V321 HydrophobicContact CE1-CG2 3.96Å; F317-V321 HydrophobicContact CE2-CG2 3.85Å; F317-V321 HydrophobicContact CG-CG2 4.47Å; F317-V321 HydrophobicContact CZ-CG2 3.7Å; F317-V321 WeakPolarHBondContact O-CG2 3.47Å; F317-V321 PolarHBondContact O-N 2.02Å; Q319-V321 PolarHBondContact O-N 3.34Å; V321-R323 PolarHBondContact O-N 3.03Å; V321-L324 HydrophobicContact CB-CD1 4.33Å; V321-L324 HydrophobicContact CG1-CD1 4.17Å; V321-L324 HydrophobicContact CG2-CD1 4.42Å; V321-L324 WeakPolarHBondContact O-CB 3.34Å; V321-L324 PolarHBondContact O-N 3.1Å; V321-L324 VanDerWaalsContact O-N 3.14Å; V321-L336 HydrophobicContact CG2-CD1 4.12Å; V321-V474 HydrophobicContact CG1-CG1 4.41Å; V321-V474 HydrophobicContact CG1-CG2 4.06Å; V321-F479 HydrophobicContact CB-CD1 4.29Å; V321-F479 HydrophobicContact CB-CE1 3.52Å; V321-F479 HydrophobicContact CB-CZ 3.81Å; V321-F479 HydrophobicContact CG1-CD1 3.64Å; V321-F479 HydrophobicContact CG1-CD2 4.48Å; V321-F479 HydrophobicContact CG1-CE1 3.3Å; V321-F479 HydrophobicContact CG1-CE2 4.21Å; V321-F479 HydrophobicContact CG1-CG 4.21Å; V321-F479 HydrophobicContact CG1-CZ 3.62Å; V321-F479 HydrophobicContact CG2-CZ 4.46Å; V321-V485 HydrophobicContact CG1-CG1 4.41Å
322	K	91.7	Very high	94.8	Very high	96 Å²	96	35.5 Å²	35.5	42%	0.417	16%	0.155	S	C	.	.	H	α-helix	trans	-63.1	-22.8	174.3	-77.1	177.4	179.8	178.9	0	113.9	Q80 G131 L318 Q319 F479	Q80-K322 PolarHBondContact NE2-O 3.47Å; G131-K322 PolarHBondContact O-NZ 3.2Å; L318-K322 HydrophobicContact CG-CD 4.46Å; L318-K322 WeakPolarHBondContact O-CG 3.36Å; L318-K322 PolarHBondContact O-N 3.38Å; Q319-K322 PolarHBondContact O-N 3.36Å; K322-F479 HydrophobicContact CG-CD1 4.06Å; K322-F479 HydrophobicContact CG-CE1 4.04Å
323	R	92.5	Very high	94.9	Very high	145 Å²	145	34 Å²	34	55%	0.547	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.5	177.8	-70.2	173.3	-176.1	168	4.6	113.2	Q319 R320 V321	Q319-R323 WeakPolarHBondContact O-CG 3.41Å; Q319-R323 PolarHBondContact O-N 3.3Å; Q319-R323 VanDerWaalsContact O-N 3.17Å; R320-R323 PolarHBondContact O-N 3.03Å; R320-R323 VanDerWaalsContact O-N 3.15Å; V321-R323 PolarHBondContact O-N 3.03Å
324	L	94.8	Very high	94.9	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-67.9	140.6	179.1	-66.3	171	0	0	0	110.8	R320 V321 E332 Y333 L336 V485	R320-L324 PolarHBondContact O-N 3.24Å; V321-L324 HydrophobicContact CB-CD1 4.33Å; V321-L324 HydrophobicContact CG1-CD1 4.17Å; V321-L324 HydrophobicContact CG2-CD1 4.42Å; V321-L324 WeakPolarHBondContact O-CB 3.34Å; V321-L324 PolarHBondContact O-N 3.1Å; V321-L324 VanDerWaalsContact O-N 3.14Å; L324-E332 HydrophobicContact CD2-CB 4.15Å; L324-Y333 HydrophobicContact CB-CE1 4.37Å; L324-Y333 HydrophobicContact CD1-CD1 4.15Å; L324-Y333 HydrophobicContact CD1-CE1 3.81Å; L324-Y333 HydrophobicContact CD2-CD1 4.19Å; L324-Y333 HydrophobicContact CD2-CE1 4.26Å; L324-Y333 HydrophobicContact CG-CE1 4.37Å; L324-L336 HydrophobicContact CD1-CD2 3.91Å; L324-V485 HydrophobicContact CD1-CG1 4.13Å
325	P	94.4	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.146	C	C	.	.			trans	-74.3	148.2	174.2	30.4	-33.6	0	0	0	111.7	D77 Y84 E332 Y333	D77-P325 WeakPolarHBondContact OD2-CA 3.43Å; D77-P325 WeakPolarHBondContact OD2-CB 3.25Å; Y84-P325 HydrophobicContact CD2-CB 4.02Å; Y84-P325 HydrophobicContact CD2-CG 4.19Å; Y84-P325 HydrophobicContact CE1-CG 4.49Å; Y84-P325 HydrophobicContact CE2-CB 3.51Å; Y84-P325 HydrophobicContact CE2-CG 3.98Å; P325-E332 HydrophobicContact CG-CB 4.4Å; P325-E332 HydrophobicContact CG-CG 4.32Å; P325-Y333 PolarHBondContact O-OH 3.05Å
326	L	92.3	Very high	94.9	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.183	13%	0.134	C	C	.	.	S	Bend	trans	-74.2	-36	171.4	-60.5	-178.1	0	0	0	111.2	D77 Y481 V485 N488	D77-L326 PolarHBondContact OD2-N 3.33Å; L326-Y481 HydrophobicContact CD1-CD1 4.28Å; L326-Y481 HydrophobicContact CD1-CD2 3.74Å; L326-Y481 HydrophobicContact CD1-CE1 4.48Å; L326-Y481 HydrophobicContact CD1-CE2 3.98Å; L326-Y481 HydrophobicContact CD1-CG 3.9Å; L326-Y481 HydrophobicContact CD2-CD2 4.03Å; L326-Y481 HydrophobicContact CD2-CG 3.89Å; L326-V485 HydrophobicContact CD2-CG2 4.21Å; L326-N488 PolarHBondContact O-ND2 2.96Å
327	E	93.2	Very high	95	Very high	64 Å²	64	25.9 Å²	25.9	30%	0.299	11%	0.113	S	C	.	.	S	Bend	trans	-70.9	136.4	170	-63	-69.4	-178.3	0	0	109.4	T75 S329	T75-E327 WeakPolarHBondContact OG1-CG 3.13Å; T75-E327 PolarHBondContact OG1-OE1 3.36Å; E327-S329 PolarHBondContact O-N 3.29Å; E327-S329 VanDerWaalsContact O-N 3.17Å
328	Y	95.5	Very high	94.8	Very high	46 Å²	46	29.7 Å²	29.7	18%	0.18	13%	0.127	C	C	.	.			trans	-67.1	117.5	-175.2	-177.3	-104.8	0	0	0	111.3	Y333 N488 Q491 A492 E495	Y328-Y333 HydrophobicContact CD2-CE2 4.47Å; Y328-N488 HydrophobicContact CD2-CB 3.96Å; Y328-Q491 HydrophobicContact CE1-CG 4.47Å; Y328-Q491 HydrophobicContact CE2-CB 4Å; Y328-Q491 HydrophobicContact CE2-CG 4Å; Y328-A492 HydrophobicContact CE2-CB 4.16Å; Y328-A492 WeakPolarHBondContact OH-CA 2.93Å; Y328-E495 PolarHBondContact OH-OE1 3.29Å; Y328-E495 PolarHBondContact OH-OE2 3.23Å
329	S	95.9	Very high	94.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	14%	0.144	C	C	.	.			trans	-138.1	101	174.6	173.6	0	0	0	0	109.4	Y84 E327 G331 E332 Y333	Y84-S329 WeakPolarHBondContact CB-OG 3.25Å; E327-S329 PolarHBondContact O-N 3.29Å; E327-S329 VanDerWaalsContact O-N 3.17Å; S329-G331 PolarHBondContact O-N 3.32Å; S329-E332 PolarHBondContact O-N 2.78Å; S329-Y333 WeakPolarHBondContact O-CD2 3.32Å
330	Y	96.5	Very high	95.1	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-35.9	-174.4	174.5	-115.4	0	0	0	113.1	Y86 E332 Y333 R334 A492 E495 F496 E499	Y86-Y330 AromaticContact CD2-CD1 3.84Å; Y86-Y330 HydrophobicContact CD2-CD1 3.84Å; Y86-Y330 HydrophobicContact CD2-CG 4.43Å; Y86-Y330 AromaticContact CE2-CD1 3.77Å; Y86-Y330 HydrophobicContact CE2-CD1 3.77Å; Y86-Y330 HydrophobicContact CE2-CG 4.13Å; Y86-Y330 VanDerWaalsContact CZ-CB 3.46Å; Y330-E332 VanDerWaalsContact C-N 3.34Å; Y330-E332 PolarHBondContact O-N 2.85Å; Y330-Y333 PolarHBondContact O-N 3.5Å; Y330-Y333 VanDerWaalsContact O-N 3.15Å; Y330-R334 HydrophobicContact CE1-CB 4.19Å; Y330-R334 HydrophobicContact CE1-CG 4.45Å; Y330-R334 HydrophobicContact CE2-CB 4.14Å; Y330-R334 VanDerWaalsContact O-CB 3.28Å; Y330-R334 WeakPolarHBondContact O-CB 3.44Å; Y330-R334 PolarHBondContact O-N 2.77Å; Y330-A492 HydrophobicContact CD2-CB 4.01Å; Y330-A492 HydrophobicContact CE2-CB 4.42Å; Y330-E495 HydrophobicContact CD2-CB 3.84Å; Y330-E495 HydrophobicContact CE2-CB 3.5Å; Y330-F496 HydrophobicContact CE2-CB 4.36Å; Y330-F496 VanDerWaalsContact OH-CA 3.28Å; Y330-F496 WeakPolarHBondContact OH-CA 3.19Å; Y330-F496 PolarHBondContact OH-N 2.9Å; Y330-E499 WeakPolarHBondContact CE1-OE2 3.37Å; Y330-E499 VanDerWaalsContact CZ-OE2 3.28Å; Y330-E499 PolarHBondContact OH-OE2 3.02Å
331	G	95.5	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.1	-42	-179.9	0	0	0	0	0	114.3	S329 D335	S329-G331 PolarHBondContact O-N 3.32Å; G331-D335 PolarHBondContact O-N 3.37Å
332	E	96.1	Very high	95	Very high	12 Å²	12	29 Å²	29	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-72.6	-37.1	178.4	-68.4	-60.1	145.5	0	0	112.6	Y84 K105 R320 L324 P325 S329 Y330 L336	Y84-E332 HydrophobicContact CD1-CG 3.79Å; Y84-E332 HydrophobicContact CE1-CG 3.83Å; K105-E332 WeakPolarHBondContact CE-OE1 3.25Å; K105-E332 IonicContact NZ-OE1 3.07Å; K105-E332 PolarHBondContact NZ-OE1 3.16Å; K105-E332 IonicContact NZ-OE2 2.71Å; R320-E332 IonicContact CZ-OE2 2.84Å; R320-E332 IonicContact NH1-OE2 2.64Å; R320-E332 PolarHBondContact NH1-OE2 2.82Å; R320-E332 IonicContact NH2-OE2 3.1Å; L324-E332 HydrophobicContact CD2-CB 4.15Å; P325-E332 HydrophobicContact CG-CB 4.4Å; P325-E332 HydrophobicContact CG-CG 4.32Å; S329-E332 PolarHBondContact O-N 2.78Å; Y330-E332 VanDerWaalsContact C-N 3.34Å; Y330-E332 PolarHBondContact O-N 2.85Å; E332-L336 PolarHBondContact O-N 2.78Å
333	Y	97.1	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-72.8	-35	177.1	-68.7	-78.9	0	0	0	112.1	L324 P325 Y328 S329 Y330 L336 F337 N488 M489 A492	L324-Y333 HydrophobicContact CB-CE1 4.37Å; L324-Y333 HydrophobicContact CD1-CD1 4.15Å; L324-Y333 HydrophobicContact CD1-CE1 3.81Å; L324-Y333 HydrophobicContact CD2-CD1 4.19Å; L324-Y333 HydrophobicContact CD2-CE1 4.26Å; L324-Y333 HydrophobicContact CG-CE1 4.37Å; P325-Y333 PolarHBondContact O-OH 3.05Å; Y328-Y333 HydrophobicContact CD2-CE2 4.47Å; S329-Y333 WeakPolarHBondContact O-CD2 3.32Å; Y330-Y333 PolarHBondContact O-N 3.5Å; Y330-Y333 VanDerWaalsContact O-N 3.15Å; Y333-L336 WeakPolarHBondContact O-CB 3.26Å; Y333-L336 PolarHBondContact O-N 3.32Å; Y333-F337 WeakPolarHBondContact O-CD2 3.49Å; Y333-F337 PolarHBondContact O-N 2.96Å; Y333-F337 VanDerWaalsContact O-N 3.13Å; Y333-N488 HydrophobicContact CE1-CB 3.84Å; Y333-N488 HydrophobicContact CE2-CB 3.77Å; Y333-N488 VanDerWaalsContact OH-CB 3.27Å; Y333-N488 WeakPolarHBondContact OH-CB 3.45Å; Y333-N488 PolarHBondContact OH-ND2 3.18Å; Y333-N488 VanDerWaalsContact OH-ND2 3.1Å; Y333-M489 HydrophobicContact CD1-CG 3.69Å; Y333-M489 HydrophobicContact CE1-CG 3.7Å; Y333-A492 HydrophobicContact CG-CB 3.96Å
334	R	95.7	Very high	95.3	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-47.5	173.8	175.1	176.1	66.4	-156	-10.8	111	A87 D104 Y330 L336 F337 R338 F496 E499	A87-R334 PolarHBondContact O-NH1 2.98Å; A87-R334 PolarHBondContact O-NH2 2.8Å; D104-R334 VanDerWaalsContact CB-NH2 3.31Å; D104-R334 PolarHBondContact O-NH2 3.07Å; D104-R334 IonicContact OD1-CZ 2.84Å; D104-R334 IonicContact OD1-NE 3.85Å; D104-R334 IonicContact OD1-NH2 3.75Å; D104-R334 PolarHBondContact OD1-NH2 3.48Å; D104-R334 IonicContact OD2-CZ 3.11Å; D104-R334 IonicContact OD2-NE 3.85Å; D104-R334 PolarHBondContact OD2-NE 2.84Å; D104-R334 IonicContact OD2-NH1 2.83Å; D104-R334 IonicContact OD2-NH2 3.7Å; D104-R334 PolarHBondContact OD2-NH2 3.34Å; D104-R334 VanDerWaalsContact OD2-NH2 3.13Å; Y330-R334 HydrophobicContact CE1-CB 4.19Å; Y330-R334 HydrophobicContact CE1-CG 4.45Å; Y330-R334 HydrophobicContact CE2-CB 4.14Å; Y330-R334 VanDerWaalsContact O-CB 3.28Å; Y330-R334 WeakPolarHBondContact O-CB 3.44Å; Y330-R334 PolarHBondContact O-N 2.77Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 3.45Å; R334-F337 PolarHBondContact O-N 2.85Å; R334-F337 VanDerWaalsContact O-N 3.13Å; R334-R338 WeakPolarHBondContact O-CG 3.2Å; R334-R338 PolarHBondContact O-N 2.56Å; R334-F496 HydrophobicContact CG-CD2 4.06Å; R334-F496 HydrophobicContact CG-CE2 4.14Å; R334-E499 VanDerWaalsContact CD-OE1 3.32Å; R334-E499 WeakPolarHBondContact CD-OE1 3.15Å; R334-E499 VanDerWaalsContact CD-OE2 3.25Å; R334-E499 WeakPolarHBondContact CD-OE2 3.48Å; R334-E499 IonicContact NH1-OE1 3.32Å; R334-E499 IonicContact NH1-OE2 3.78Å
335	D	95.3	Very high	95.3	Very high	26 Å²	26	18.3 Å²	18.3	14%	0.139	8%	0.084	C	C	.	.	H	α-helix	trans	-63.8	-40	178.6	-74	-3.9	0	0	0	111.8	K105 R320 G331 F337 R338 D339	K105-D335 WeakPolarHBondContact CD-OD2 3.04Å; K105-D335 WeakPolarHBondContact CE-OD2 3.03Å; R320-D335 IonicContact NH2-OD2 2.78Å; G331-D335 PolarHBondContact O-N 3.37Å; D335-F337 VanDerWaalsContact C-N 3.25Å; D335-F337 PolarHBondContact O-N 3.28Å; D335-R338 PolarHBondContact O-N 2.68Å; D335-R338 VanDerWaalsContact O-N 3.14Å; D335-R338 IonicContact OD1-NH1 2.88Å; D335-D339 WeakPolarHBondContact O-CB 3.31Å; D335-D339 PolarHBondContact O-N 2.86Å
336	L	97.1	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-54.2	-44.1	172.5	-178.8	78.7	0	0	0	111.5	F317 R320 V321 L324 E332 Y333 R334 D339 F340 M489	F317-L336 HydrophobicContact CD2-CD1 4.24Å; F317-L336 HydrophobicContact CE2-CD1 3.98Å; R320-L336 HydrophobicContact CB-CD1 4.12Å; R320-L336 HydrophobicContact CG-CD1 3.59Å; V321-L336 HydrophobicContact CG2-CD1 4.12Å; L324-L336 HydrophobicContact CD1-CD2 3.91Å; E332-L336 PolarHBondContact O-N 2.78Å; Y333-L336 WeakPolarHBondContact O-CB 3.26Å; Y333-L336 PolarHBondContact O-N 3.32Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 3.45Å; L336-D339 PolarHBondContact O-N 3.41Å; L336-F340 HydrophobicContact CD1-CD2 3.9Å; L336-F340 HydrophobicContact CD1-CE2 4.41Å; L336-F340 WeakPolarHBondContact O-CB 3.39Å; L336-F340 PolarHBondContact O-N 3.31Å; L336-M489 HydrophobicContact CD2-CE 3.65Å; L336-M489 HydrophobicContact CD2-SD 4.31Å
337	F	96.1	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.3	-30.2	178.8	-63.8	-49.7	0	0	0	113.8	Y333 R334 D335 G341 T342 L470 M489 A492 L493 F496	Y333-F337 WeakPolarHBondContact O-CD2 3.49Å; Y333-F337 PolarHBondContact O-N 2.96Å; Y333-F337 VanDerWaalsContact O-N 3.13Å; R334-F337 PolarHBondContact O-N 2.85Å; R334-F337 VanDerWaalsContact O-N 3.13Å; D335-F337 VanDerWaalsContact C-N 3.25Å; D335-F337 PolarHBondContact O-N 3.28Å; F337-G341 VanDerWaalsContact CA-O 3.31Å; F337-G341 WeakPolarHBondContact CA-O 3.38Å; F337-G341 VanDerWaalsContact CD1-O 3.3Å; F337-G341 WeakPolarHBondContact CD1-O 3.28Å; F337-G341 CarbonylContact O-C 3.52Å; F337-G341 WeakPolarHBondContact O-CA 3.21Å; F337-G341 PolarHBondContact O-N 2.76Å; F337-T342 HydrophobicContact CB-CG2 4.36Å; F337-T342 HydrophobicContact CD1-CG2 4.25Å; F337-T342 HydrophobicContact CG-CG2 4.41Å; F337-L470 HydrophobicContact CD1-CD1 4.41Å; F337-M489 HydrophobicContact CE1-CE 4.15Å; F337-M489 HydrophobicContact CZ-CB 4.44Å; F337-M489 HydrophobicContact CZ-CE 4.47Å; F337-M489 WeakPolarHBondContact CZ-O 3.31Å; F337-A492 HydrophobicContact CE2-CB 3.85Å; F337-L493 HydrophobicContact CE1-CD1 4.36Å; F337-L493 HydrophobicContact CE2-CB 4.15Å; F337-L493 HydrophobicContact CZ-CB 3.91Å; F337-L493 HydrophobicContact CZ-CD1 4.28Å; F337-F496 HydrophobicContact CB-CD1 3.95Å; F337-F496 HydrophobicContact CB-CD2 4.22Å; F337-F496 HydrophobicContact CB-CE1 3.77Å; F337-F496 HydrophobicContact CB-CE2 4.05Å; F337-F496 HydrophobicContact CB-CG 4.16Å; F337-F496 HydrophobicContact CB-CZ 3.8Å; F337-F496 HydrophobicContact CD2-CB 4.11Å; F337-F496 HydrophobicContact CD2-CD1 4.39Å; F337-F496 HydrophobicContact CD2-CD2 4.5Å; F337-F496 HydrophobicContact CD2-CG 4.1Å; F337-F496 HydrophobicContact CG-CD1 4.37Å; F337-F496 HydrophobicContact CG-CG 4.47Å
338	R	93.6	Very high	95.6	Very high	80 Å²	80	18.1 Å²	18.1	30%	0.302	8%	0.084	S	C	.	.	H	α-helix	trans	-68.1	-40.6	172.2	-71.7	178.2	176.5	170.2	0	111.2	D104 R334 D335 F496 E499	D104-R338 IonicContact OD2-CZ 2.68Å; D104-R338 IonicContact OD2-NH1 3.16Å; D104-R338 PolarHBondContact OD2-NH1 3.26Å; D104-R338 IonicContact OD2-NH2 2.89Å; D104-R338 PolarHBondContact OD2-NH2 3.37Å; D104-R338 VanDerWaalsContact OD2-NH2 3.16Å; R334-R338 WeakPolarHBondContact O-CG 3.2Å; R334-R338 PolarHBondContact O-N 2.56Å; D335-R338 PolarHBondContact O-N 2.68Å; D335-R338 VanDerWaalsContact O-N 3.14Å; D335-R338 IonicContact OD1-NH1 2.88Å; R338-F496 HydrophobicContact CG-CE2 3.93Å; R338-F496 HydrophobicContact CG-CZ 4.21Å; R338-E499 IonicContact NH2-OE1 3.87Å; R338-E499 PolarHBondContact NH2-OE1 3.28Å
339	D	95.9	Very high	95.5	Very high	80 Å²	80	16.5 Å²	16.5	43%	0.428	8%	0.079	S	C	.	.	H	α-helix	trans	-78.9	-37.4	-175.9	-64.4	-21.4	0	0	0	112.6	G188 R320 D335 L336	G188-D339 WeakPolarHBondContact CA-O 3.35Å; G188-D339 PolarHBondContact N-O 2.87Å; R320-D339 IonicContact NE-OD2 2.77Å; D335-D339 WeakPolarHBondContact O-CB 3.31Å; D335-D339 PolarHBondContact O-N 2.86Å; L336-D339 PolarHBondContact O-N 3.41Å
340	F	97.3	Very high	95.3	Very high	13 Å²	13	16.5 Å²	16.5	6%	0.057	8%	0.079	C	C	.	.	H	α-helix	trans	-122.7	3.1	-169.8	-64.4	-79.4	0	0	0	114.3	G178 S189 V190 E316 F317 R320 L336 L470	G178-F340 VanDerWaalsContact CA-O 3.28Å; G178-F340 WeakPolarHBondContact CA-O 3.25Å; S189-F340 WeakPolarHBondContact O-CE1 3.46Å; V190-F340 HydrophobicContact CG1-CB 3.73Å; V190-F340 HydrophobicContact CG1-CD1 3.78Å; V190-F340 HydrophobicContact CG1-CG 4.14Å; E316-F340 HydrophobicContact CB-CZ 4.23Å; F317-F340 HydrophobicContact CB-CD1 4.12Å; F317-F340 HydrophobicContact CB-CE1 3.83Å; F317-F340 HydrophobicContact CB-CZ 4.19Å; F317-F340 HydrophobicContact CD2-CB 4.07Å; F317-F340 AromaticContact CD2-CD1 3.86Å; F317-F340 HydrophobicContact CD2-CD1 3.86Å; F317-F340 AromaticContact CD2-CD2 3.95Å; F317-F340 HydrophobicContact CD2-CD2 3.95Å; F317-F340 HydrophobicContact CD2-CE1 4.28Å; F317-F340 HydrophobicContact CD2-CE2 4.37Å; F317-F340 AromaticContact CD2-CG 3.68Å; F317-F340 HydrophobicContact CD2-CG 3.68Å; F317-F340 HydrophobicContact CE2-CB 4.3Å; F317-F340 HydrophobicContact CE2-CG 4.36Å; F317-F340 HydrophobicContact CG-CD1 4.43Å; R320-F340 HydrophobicContact CB-CE2 3.94Å; R320-F340 HydrophobicContact CG-CE2 3.98Å; L336-F340 HydrophobicContact CD1-CD2 3.9Å; L336-F340 HydrophobicContact CD1-CE2 4.41Å; L336-F340 WeakPolarHBondContact O-CB 3.39Å; L336-F340 PolarHBondContact O-N 3.31Å; F340-L470 HydrophobicContact CB-CD1 4.28Å
341	G	95	Very high	95.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.			trans	78.3	-164.7	-178.7	0	0	0	0	0	112.5	F337 L470	F337-G341 VanDerWaalsContact CA-O 3.31Å; F337-G341 WeakPolarHBondContact CA-O 3.38Å; F337-G341 VanDerWaalsContact CD1-O 3.3Å; F337-G341 WeakPolarHBondContact CD1-O 3.28Å; F337-G341 CarbonylContact O-C 3.52Å; F337-G341 WeakPolarHBondContact O-CA 3.21Å; F337-G341 PolarHBondContact O-N 2.76Å; G341-L470 WeakPolarHBondContact O-CD1 3.47Å
342	T	94	Very high	94.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-114.1	-23.4	-174.5	54.6	0	0	0	0	113.4	I179 V181 F182 F337 L470 L493 F496	I179-T342 PolarHBondContact O-N 2.83Å; I179-T342 PolarHBondContact O-OG1 3.34Å; V181-T342 PolarHBondContact N-OG1 2.91Å; F182-T342 HydrophobicContact CD2-CG2 4.03Å; F182-T342 HydrophobicContact CE2-CG2 3.81Å; F337-T342 HydrophobicContact CB-CG2 4.36Å; F337-T342 HydrophobicContact CD1-CG2 4.25Å; F337-T342 HydrophobicContact CG-CG2 4.41Å; T342-L470 WeakPolarHBondContact O-CG 3.36Å; T342-L470 PolarHBondContact O-N 2.84Å; T342-L493 HydrophobicContact CG2-CD1 3.61Å; T342-F496 HydrophobicContact CG2-CD1 3.81Å; T342-F496 HydrophobicContact CG2-CE1 3.75Å
343	H	94.1	Very high	94.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.2	-178.3	-61.3	71.7	0	0	0	111.6	G178 I179 V181 F258 V467 E468	G178-H343 CarbonylContact C-O 3.53Å; G178-H343 WeakPolarHBondContact CA-O 3.28Å; I179-H343 PolarHBondContact N-O 3.04Å; I179-H343 PolarHBondContact O-N 2.71Å; V181-H343 HydrophobicContact CG2-CB 3.92Å; V181-H343 VanDerWaalsContact CG2-ND1 3.32Å; V181-H343 WeakPolarHBondContact CG2-ND1 3.41Å; F258-H343 PolarHBondContact O-NE2 2.77Å; H343-V467 HydrophobicContact CB-CB 3.87Å; H343-V467 HydrophobicContact CB-CG2 4Å; H343-E468 CarbonylContact C-O 3.6Å; H343-E468 VanDerWaalsContact CA-O 3.26Å; H343-E468 WeakPolarHBondContact CA-O 3.37Å; H343-E468 WeakPolarHBondContact CB-O 3.3Å
344	Y	95.8	Very high	94	Very high	21 Å²	21	15.8 Å²	15.8	8%	0.082	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.8	169.5	69.4	-79.7	0	0	0	110.9	L191 L306 L311 T346 V467 E468 P469 L470 E472 L473	L191-Y344 HydrophobicContact CD1-CD2 4.36Å; L306-Y344 HydrophobicContact CD2-CD2 3.94Å; L306-Y344 HydrophobicContact CD2-CE2 3.71Å; L311-Y344 HydrophobicContact CD1-CE2 4.48Å; Y344-T346 HydrophobicContact CD2-CG2 4.25Å; Y344-T346 HydrophobicContact CE2-CG2 3.66Å; Y344-V467 VanDerWaalsContact O-CA 3.26Å; Y344-V467 WeakPolarHBondContact O-CA 3Å; Y344-E468 HydrophobicContact CD1-CB 4.38Å; Y344-E468 WeakPolarHBondContact CD1-O 3.31Å; Y344-E468 HydrophobicContact CE1-CB 3.69Å; Y344-E468 HydrophobicContact CE1-CG 4.17Å; Y344-E468 WeakPolarHBondContact CE1-O 3.17Å; Y344-E468 HydrophobicContact CE2-CB 4.42Å; Y344-E468 PolarHBondContact N-O 2.65Å; Y344-E468 PolarHBondContact O-N 3.44Å; Y344-P469 WeakPolarHBondContact CE1-O 3.18Å; Y344-L470 HydrophobicContact CD1-CD2 4.32Å; Y344-E472 HydrophobicContact CE1-CB 4.29Å; Y344-L473 HydrophobicContact CD1-CD1 3.71Å; Y344-L473 HydrophobicContact CD1-CD2 4.15Å; Y344-L473 HydrophobicContact CD1-CG 3.67Å; Y344-L473 HydrophobicContact CD2-CD1 4.4Å; Y344-L473 HydrophobicContact CD2-CD2 4.08Å; Y344-L473 HydrophobicContact CD2-CG 4.44Å; Y344-L473 HydrophobicContact CE1-CD1 4.15Å; Y344-L473 HydrophobicContact CE1-CD2 3.84Å; Y344-L473 HydrophobicContact CE1-CG 3.57Å; Y344-L473 HydrophobicContact CE2-CD2 3.74Å; Y344-L473 HydrophobicContact CE2-CG 4.34Å; Y344-L473 HydrophobicContact CG-CD1 3.85Å; Y344-L473 HydrophobicContact CG-CD2 4.27Å; Y344-L473 HydrophobicContact CG-CG 4.12Å
345	I	95.6	Very high	93.6	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125	-174.3	-58.1	164.4	0	0	0	110.1	L175 I179 Y304 L306 A348 I462	L175-I345 HydrophobicContact CD2-CD1 4.07Å; L175-I345 HydrophobicContact CD2-CG2 4.2Å; I179-I345 HydrophobicContact CD1-CD1 3.68Å; I179-I345 HydrophobicContact CD1-CG1 3.28Å; I179-I345 HydrophobicContact CG1-CD1 4.28Å; I179-I345 HydrophobicContact CG1-CG1 4.07Å; Y304-I345 HydrophobicContact CD1-CG2 4.34Å; Y304-I345 HydrophobicContact CE1-CG2 4.2Å; L306-I345 WeakPolarHBondContact CD2-O 3.15Å; I345-A348 HydrophobicContact CG2-CB 3.78Å; I345-I462 HydrophobicContact CD1-CD1 3.87Å
346	T	95.8	Very high	93.1	Very high	27 Å²	27	14.7 Å²	14.7	17%	0.166	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-33.5	174.6	57.5	0	0	0	0	112.7	L306 Y344 K466 E468	L306-T346 VanDerWaalsContact CB-O 3.26Å; L306-T346 WeakPolarHBondContact CB-O 3.33Å; L306-T346 PolarHBondContact N-O 3.34Å; Y344-T346 HydrophobicContact CD2-CG2 4.25Å; Y344-T346 HydrophobicContact CE2-CG2 3.66Å; T346-K466 PolarHBondContact N-O 3.35Å; T346-K466 PolarHBondContact OG1-O 3.28Å; T346-E468 HydrophobicContact CG2-CB 3.8Å
347	E	95.6	Very high	92.7	Very high	65 Å²	65	14.7 Å²	14.7	30%	0.304	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.4	176.7	-167	175.3	172.4	0	0	108.1	I263 Y304 I465 K466	I263-E347 HydrophobicContact CD1-CG 4.35Å; I263-E347 WeakPolarHBondContact CD1-OE1 3.28Å; Y304-E347 WeakPolarHBondContact O-CA 3.09Å; E347-I465 CarbonylContact O-C 3.59Å; E347-I465 WeakPolarHBondContact O-CA 2.95Å; E347-K466 HydrophobicContact CB-CB 3.76Å; E347-K466 HydrophobicContact CB-CD 4.24Å; E347-K466 PolarHBondContact N-O 2.7Å; E347-K466 PolarHBondContact O-N 2.81Å
348	A	94.6	Very high	92.4	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.5	178	0	0	0	0	0	112.1	L175 Y304 I345 I462 K464 I465	L175-A348 HydrophobicContact CD2-CB 3.61Å; Y304-A348 HydrophobicContact CD1-CB 4.07Å; Y304-A348 PolarHBondContact N-O 2.99Å; Y304-A348 PolarHBondContact O-N 3.42Å; I345-A348 HydrophobicContact CG2-CB 3.78Å; A348-I462 HydrophobicContact CB-CG2 4.39Å; A348-K464 CarbonylContact C-O 3.49Å; A348-K464 VanDerWaalsContact CA-O 3.26Å; A348-K464 WeakPolarHBondContact CA-O 3.47Å; A348-I465 HydrophobicContact CB-CG2 4.22Å
349	V	92.9	Very high	92.2	Very high	12 Å²	12	11 Å²	11	7%	0.073	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.9	164.4	-175.9	0	0	0	0	107	E300 I463 K464	E300-V349 HydrophobicContact CB-CG1 3.92Å; E300-V349 HydrophobicContact CG-CG1 3.81Å; V349-I463 HydrophobicContact CB-CD1 4.37Å; V349-I463 HydrophobicContact CB-CG1 3.94Å; V349-I463 HydrophobicContact CG1-CD1 3.69Å; V349-I463 HydrophobicContact CG1-CG1 3.77Å; V349-I463 WeakPolarHBondContact O-CG1 3.39Å; V349-I463 PolarHBondContact O-N 2.93Å; V349-K464 HydrophobicContact CB-CB 3.97Å; V349-K464 HydrophobicContact CB-CD 4.42Å; V349-K464 HydrophobicContact CG2-CB 4Å; V349-K464 HydrophobicContact CG2-CD 4.19Å; V349-K464 PolarHBondContact N-O 2.82Å; V349-K464 PolarHBondContact O-N 3.16Å
350	L	92.3	Very high	91.8	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.01	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.9	173.8	-67.6	-174.5	0	0	0	109.8	L175 Y219 V301 A302 P460 A461 I462	L175-L350 HydrophobicContact CD1-CD1 3.82Å; L175-L350 HydrophobicContact CD1-CD2 4.17Å; L175-L350 HydrophobicContact CD1-CG 4.24Å; L175-L350 HydrophobicContact CD2-CD2 4.06Å; L175-L350 HydrophobicContact CG-CD2 4.25Å; Y219-L350 HydrophobicContact CE2-CD1 3.67Å; V301-L350 PolarHBondContact N-O 2.91Å; A302-L350 HydrophobicContact CB-CB 4.25Å; A302-L350 HydrophobicContact CB-CD1 4.49Å; A302-L350 PolarHBondContact N-O 3.13Å; A302-L350 VanDerWaalsContact N-O 3.12Å; A302-L350 PolarHBondContact O-N 3.27Å; L350-P460 HydrophobicContact CB-CB 4.06Å; L350-P460 HydrophobicContact CB-CG 4.46Å; L350-P460 HydrophobicContact CD1-CG 4.29Å; L350-A461 WeakPolarHBondContact CA-O 3.31Å; L350-I462 HydrophobicContact CD2-CB 4.4Å; L350-I462 HydrophobicContact CD2-CG1 3.7Å
351	G	91.3	Very high	91.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-149.7	-175.6	0	0	0	0	0	113.2	L299 A461	L299-G351 CarbonylContact O-C 3.54Å; L299-G351 WeakPolarHBondContact O-CA 3.17Å; G351-A461 PolarHBondContact N-O 3.43Å; G351-A461 PolarHBondContact O-N 2.95Å
352	G	90	Very high	91.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.6	177.6	0	0	0	0	0	111.3	L299 R428 W452	L299-G352 PolarHBondContact N-O 3.32Å; L299-G352 PolarHBondContact O-N 2.83Å; G352-R428 CarbonylContact C-O 3.5Å; G352-R428 WeakPolarHBondContact CA-O 3.46Å; G352-W452 VanDerWaalsContact C-CZ2 3.42Å
353	I	88.4	Confident	90.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.2	171.4	-59.4	172.2	0	0	0	107.9	R296 D298 E355 V427 R428 I463	R296-I353 HydrophobicContact CG-CG2 4.23Å; D298-I353 WeakPolarHBondContact OD1-CG1 2.78Å; I353-E355 HydrophobicContact CG2-CG 3.55Å; I353-V427 CarbonylContact O-C 3.58Å; I353-V427 WeakPolarHBondContact O-CA 3.3Å; I353-R428 HydrophobicContact CB-CB 4.26Å; I353-R428 PolarHBondContact N-O 2.84Å; I353-R428 PolarHBondContact O-N 3.36Å; I353-I463 HydrophobicContact CD1-CB 3.86Å; I353-I463 HydrophobicContact CD1-CG2 3.78Å; I353-I463 HydrophobicContact CG1-CB 4.11Å; I353-I463 HydrophobicContact CG1-CG2 3.62Å
354	Y	87.4	Confident	90.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.9	170.6	-166.2	-75.6	0	0	0	108.7	F229 S297 Y356 V425 V427 A439 P444 M449 W452	F229-Y354 AromaticContact CE1-CD1 3.84Å; F229-Y354 HydrophobicContact CE1-CD1 3.84Å; F229-Y354 AromaticContact CZ-CD1 3.83Å; F229-Y354 HydrophobicContact CZ-CD1 3.83Å; F229-Y354 HydrophobicContact CZ-CE1 4.36Å; S297-Y354 PolarHBondContact N-O 3.3Å; S297-Y354 PolarHBondContact O-N 2.59Å; Y354-Y356 HydrophobicContact CD1-CD1 4.34Å; Y354-Y356 AromaticContact CE1-CD1 3.98Å; Y354-Y356 HydrophobicContact CE1-CD1 3.98Å; Y354-V425 HydrophobicContact CE1-CG1 4.18Å; Y354-V427 HydrophobicContact CD2-CG1 4.14Å; Y354-V427 HydrophobicContact CD2-CG2 3.63Å; Y354-V427 HydrophobicContact CE2-CG2 3.67Å; Y354-V427 HydrophobicContact CG-CG2 4.37Å; Y354-A439 HydrophobicContact CE2-CB 3.96Å; Y354-A439 WeakPolarHBondContact OH-CB 3.31Å; Y354-P444 HydrophobicContact CE1-CB 3.89Å; Y354-P444 HydrophobicContact CE1-CG 3.99Å; Y354-M449 HydrophobicContact CD1-SD 4.36Å; Y354-M449 HydrophobicContact CD2-SD 4.14Å; Y354-M449 HydrophobicContact CE2-SD 4.4Å; Y354-M449 HydrophobicContact CG-CE 4.39Å; Y354-M449 HydrophobicContact CG-SD 4.12Å; Y354-W452 HydrophobicContact CD2-CD2 4.42Å
355	E	86.8	Confident	89.8	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.023	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.5	-179.5	-77.6	160.5	159.3	0	0	110.1	A295 R296 I353 V425 L426 R428	A295-E355 VanDerWaalsContact O-CA 3.31Å; A295-E355 WeakPolarHBondContact O-CA 3.47Å; R296-E355 HydrophobicContact CB-CG 3.82Å; R296-E355 WeakPolarHBondContact CD-OE1 3.43Å; R296-E355 HydrophobicContact CG-CG 3.64Å; R296-E355 IonicContact CZ-OE1 2.83Å; R296-E355 IonicContact NE-OE1 3.84Å; R296-E355 PolarHBondContact NE-OE1 3.31Å; R296-E355 IonicContact NH1-OE1 3.55Å; R296-E355 PolarHBondContact NH1-OE1 2.97Å; I353-E355 HydrophobicContact CG2-CG 3.55Å; E355-V425 CarbonylContact O-C 3.59Å; E355-V425 WeakPolarHBondContact O-CA 2.98Å; E355-V425 WeakPolarHBondContact O-CG1 3.5Å; E355-L426 HydrophobicContact CB-CB 4.46Å; E355-L426 PolarHBondContact N-O 3.14Å; E355-L426 PolarHBondContact O-N 3.36Å; E355-R428 VanDerWaalsContact CD-NH2 3.3Å; E355-R428 IonicContact OE1-NH2 2.9Å; E355-R428 PolarHBondContact OE1-NH2 2.88Å; E355-R428 IonicContact OE2-CZ 3.41Å; E355-R428 IonicContact OE2-NE 3.27Å; E355-R428 IonicContact OE2-NH2 2.81Å; E355-R428 PolarHBondContact OE2-NH2 3.49Å
356	Y	86.6	Confident	89.4	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.7	166	70.5	-94.1	0	0	0	110.8	F229 A295 Y354 L358 F383 L423 V424 L443 P444	F229-Y356 AromaticContact CD1-CE1 3.89Å; F229-Y356 HydrophobicContact CD1-CE1 3.89Å; F229-Y356 AromaticContact CE1-CD1 3.97Å; F229-Y356 HydrophobicContact CE1-CD1 3.97Å; F229-Y356 AromaticContact CE1-CE1 3.64Å; F229-Y356 HydrophobicContact CE1-CE1 3.64Å; F229-Y356 HydrophobicContact CZ-CE1 4.19Å; A295-Y356 HydrophobicContact CB-CD1 3.79Å; A295-Y356 HydrophobicContact CB-CD2 3.99Å; A295-Y356 HydrophobicContact CB-CE1 3.29Å; A295-Y356 HydrophobicContact CB-CE2 3.48Å; A295-Y356 VanDerWaalsContact CB-CE2 3.48Å; A295-Y356 HydrophobicContact CB-CG 4.11Å; A295-Y356 VanDerWaalsContact CB-OH 3.27Å; A295-Y356 WeakPolarHBondContact CB-OH 3.28Å; A295-Y356 PolarHBondContact N-O 3.38Å; A295-Y356 PolarHBondContact O-N 2.76Å; Y354-Y356 HydrophobicContact CD1-CD1 4.34Å; Y354-Y356 AromaticContact CE1-CD1 3.98Å; Y354-Y356 HydrophobicContact CE1-CD1 3.98Å; Y356-L358 HydrophobicContact CD2-CG 4.32Å; Y356-L358 HydrophobicContact CE2-CD1 4.26Å; Y356-L358 HydrophobicContact CE2-CG 4.22Å; Y356-F383 AromaticContact CZ-CE2 3.89Å; Y356-F383 AromaticContact CZ-CZ 3.87Å; Y356-F383 WeakPolarHBondContact OH-CD2 3.15Å; Y356-F383 WeakPolarHBondContact OH-CE2 3.26Å; Y356-F383 WeakPolarHBondContact OH-CZ 3.4Å; Y356-L423 HydrophobicContact CD2-CD1 3.65Å; Y356-L423 HydrophobicContact CG-CD1 4.16Å; Y356-V424 CarbonylContact C-O 3.51Å; Y356-V424 VanDerWaalsContact CA-O 3.29Å; Y356-V424 WeakPolarHBondContact CA-O 3.35Å; Y356-L443 HydrophobicContact CE2-CD2 4.42Å; Y356-P444 HydrophobicContact CD1-CG 4Å; Y356-P444 HydrophobicContact CE1-CG 3.67Å
357	T	88.8	Confident	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.7	178.4	-55	0	0	0	0	108.6	F240 Y278 F292 L293 H294 V359 V424	F240-T357 HydrophobicContact CD2-CG2 4.35Å; F240-T357 HydrophobicContact CE2-CG2 3.58Å; F240-T357 HydrophobicContact CZ-CG2 3.84Å; Y278-T357 PolarHBondContact OH-OG1 3.08Å; F292-T357 HydrophobicContact CB-CG2 4.24Å; F292-T357 HydrophobicContact CD1-CG2 4.03Å; L293-T357 WeakPolarHBondContact O-CA 3.23Å; H294-T357 PolarHBondContact ND1-OG1 2.83Å; T357-V359 HydrophobicContact CG2-CG2 4.4Å; T357-V424 PolarHBondContact N-O 3.12Å; T357-V424 PolarHBondContact O-N 3.42Å
358	L	88.1	Confident	88.1	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	168.6	-72.7	170.2	0	0	0	108.5	F292 L293 Y356 I410 V420 L423	F292-L358 WeakPolarHBondContact CA-O 3.28Å; L293-L358 HydrophobicContact CB-CB 4.32Å; L293-L358 HydrophobicContact CD2-CD1 4.3Å; L293-L358 PolarHBondContact N-O 2.62Å; L293-L358 PolarHBondContact O-N 2.74Å; Y356-L358 HydrophobicContact CD2-CG 4.32Å; Y356-L358 HydrophobicContact CE2-CD1 4.26Å; Y356-L358 HydrophobicContact CE2-CG 4.22Å; L358-I410 HydrophobicContact CD1-CD1 3.99Å; L358-I410 HydrophobicContact CD2-CD1 4.39Å; L358-I410 HydrophobicContact CD2-CG1 4.31Å; L358-I410 HydrophobicContact CD2-CG2 4.28Å; L358-V420 HydrophobicContact CD2-CG1 4.21Å; L358-L423 HydrophobicContact CD2-CB 4.29Å; L358-L423 HydrophobicContact CD2-CD1 3.57Å; L358-L423 HydrophobicContact CD2-CG 4.46Å; L358-L423 HydrophobicContact CG-CD1 4.06Å
359	V	89.4	Confident	87.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.4	175	-169.8	0	0	0	0	108.3	F285 F292 T357 E421 D422	F285-V359 HydrophobicContact CB-CG1 4.3Å; F285-V359 HydrophobicContact CD1-CG1 3.67Å; F285-V359 HydrophobicContact CD2-CB 4.22Å; F285-V359 HydrophobicContact CD2-CG1 3.73Å; F285-V359 HydrophobicContact CD2-CG2 3.92Å; F285-V359 HydrophobicContact CE1-CB 4.38Å; F285-V359 HydrophobicContact CE1-CG1 3.68Å; F285-V359 HydrophobicContact CE2-CB 3.83Å; F285-V359 HydrophobicContact CE2-CG1 3.72Å; F285-V359 HydrophobicContact CE2-CG2 3.69Å; F285-V359 HydrophobicContact CG-CG1 3.67Å; F285-V359 HydrophobicContact CZ-CB 3.87Å; F285-V359 HydrophobicContact CZ-CG1 3.64Å; F285-V359 HydrophobicContact CZ-CG2 4.26Å; F292-V359 HydrophobicContact CD1-CB 4.4Å; F292-V359 HydrophobicContact CD1-CG1 4.12Å; F292-V359 HydrophobicContact CD1-CG2 3.77Å; F292-V359 HydrophobicContact CE1-CB 4.32Å; F292-V359 HydrophobicContact CE1-CG1 3.7Å; F292-V359 HydrophobicContact CE1-CG2 3.76Å; F292-V359 HydrophobicContact CZ-CG1 4.13Å; T357-V359 HydrophobicContact CG2-CG2 4.4Å; V359-E421 PolarHBondContact O-N 2.91Å; V359-D422 HydrophobicContact CB-CB 4.32Å; V359-D422 HydrophobicContact CG2-CB 4.32Å; V359-D422 PolarHBondContact N-O 3.21Å; V359-D422 PolarHBondContact O-N 3.49Å
360	M	88.7	Confident	87.1	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140	-172.3	-60.8	168.2	-72.3	0	0	110.6	S290 V291 L293 K362 M365 V375 M419	S290-M360 CarbonylContact C-O 3.5Å; S290-M360 WeakPolarHBondContact CA-O 3.49Å; V291-M360 HydrophobicContact CG1-CE 4.48Å; V291-M360 PolarHBondContact N-O 2.92Å; V291-M360 PolarHBondContact O-N 3.26Å; L293-M360 HydrophobicContact CB-CE 3.94Å; M360-K362 PolarHBondContact O-N 2.86Å; M360-M365 HydrophobicContact CB-CG 4.12Å; M360-M365 HydrophobicContact CB-SD 3.5Å; M360-M365 WeakPolarHBondContact CB-SD 3.45Å; M360-M365 HydrophobicContact CE-CE 4.46Å; M360-M365 HydrophobicContact CE-SD 4.31Å; M360-M365 HydrophobicContact CG-SD 4.3Å; M360-M365 HydrophobicContact SD-CE 4.08Å; M360-M365 HydrophobicContact SD-SD 3.97Å; M360-V375 HydrophobicContact CE-CG1 4.34Å; M360-V375 HydrophobicContact SD-CB 4.17Å; M360-V375 HydrophobicContact SD-CG1 3.76Å; M360-V375 HydrophobicContact SD-CG2 3.77Å; M360-M419 WeakPolarHBondContact CA-O 3.38Å; M360-M419 HydrophobicContact SD-CE 4.4Å
361	N	88.7	Confident	86.7	Confident	39 Å²	39	38.9 Å²	38.9	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.1	176.5	-172.5	-66.5	0	0	0	110.1	E363 A364 M365 M419 E421	N361-E363 VanDerWaalsContact C-N 3.32Å; N361-E363 PolarHBondContact O-N 3.03Å; N361-E363 PolarHBondContact OD1-N 2.03Å; N361-E363 VanDerWaalsContact OD1-N 3.1Å; N361-A364 HydrophobicContact CB-CB 3.95Å; N361-A364 PolarHBondContact O-N 3.37Å; N361-A364 PolarHBondContact OD1-N 3.15Å; N361-A364 VanDerWaalsContact OD1-N 3.15Å; N361-M365 WeakPolarHBondContact O-CG 3.49Å; N361-M365 PolarHBondContact O-N 3.42Å; N361-M419 PolarHBondContact N-O 2.99Å; N361-E421 HydrophobicContact CB-CG 3.8Å; N361-E421 PolarHBondContact ND2-OE1 2.87Å
362	K	88	Confident	86.3	Confident	92 Å²	92	40.1 Å²	40.1	40%	0.4	20%	0.198	S	C	.	.	H	α-helix	trans	-58.7	-41.2	-175.4	-171.7	171.6	178.5	171.8	0	113	K289 V291 M360 M365 E366	K289-K362 HydrophobicContact CB-CB 4.37Å; K289-K362 WeakPolarHBondContact O-CB 3.38Å; K289-K362 PolarHBondContact O-N 2.76Å; V291-K362 HydrophobicContact CG2-CB 4.05Å; V291-K362 HydrophobicContact CG2-CD 4.23Å; V291-K362 HydrophobicContact CG2-CG 4.2Å; M360-K362 PolarHBondContact O-N 2.86Å; K362-M365 WeakPolarHBondContact O-CB 3.31Å; K362-M365 PolarHBondContact O-N 3.36Å; K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 WeakPolarHBondContact O-CG 3.44Å; K362-E366 PolarHBondContact O-N 3.17Å
363	E	87	Confident	85.9	Confident	93 Å²	93	45.2 Å²	45.2	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-72	-34.3	-178.1	-61.1	179.7	175.2	0	0	111.8	K289 N361 R367	K289-E363 HydrophobicContact CD-CG 4.33Å; K289-E363 VanDerWaalsContact CD-OE1 3.31Å; K289-E363 WeakPolarHBondContact CD-OE1 3.47Å; K289-E363 IonicContact NZ-OE1 2.91Å; K289-E363 PolarHBondContact NZ-OE1 3.02Å; N361-E363 VanDerWaalsContact C-N 3.32Å; N361-E363 PolarHBondContact O-N 3.03Å; N361-E363 PolarHBondContact OD1-N 2.03Å; N361-E363 VanDerWaalsContact OD1-N 3.1Å; E363-R367 WeakPolarHBondContact O-CB 3.4Å; E363-R367 WeakPolarHBondContact O-CG 3.48Å; E363-R367 PolarHBondContact O-N 2.98Å; E363-R367 VanDerWaalsContact O-N 3.11Å; E363-R367 PolarHBondContact O-NE 3.33Å
364	A	85.5	Confident	85.5	Confident	13 Å²	13	46.1 Å²	46.1	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-70.2	-38.8	173.1	0	0	0	0	0	111.9	N361 R367 G368	N361-A364 HydrophobicContact CB-CB 3.95Å; N361-A364 PolarHBondContact O-N 3.37Å; N361-A364 PolarHBondContact OD1-N 3.15Å; N361-A364 VanDerWaalsContact OD1-N 3.15Å; A364-R367 PolarHBondContact O-N 3.31Å; A364-G368 PolarHBondContact O-N 3.31Å
365	M	85.4	Confident	85	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-49.3	173.6	-72.4	-175.8	73.5	0	0	111.6	M360 N361 K362 R367 G368 D369 Y370 V375 M419	M360-M365 HydrophobicContact CB-CG 4.12Å; M360-M365 HydrophobicContact CB-SD 3.5Å; M360-M365 WeakPolarHBondContact CB-SD 3.45Å; M360-M365 HydrophobicContact CE-CE 4.46Å; M360-M365 HydrophobicContact CE-SD 4.31Å; M360-M365 HydrophobicContact CG-SD 4.3Å; M360-M365 HydrophobicContact SD-CE 4.08Å; M360-M365 HydrophobicContact SD-SD 3.97Å; N361-M365 WeakPolarHBondContact O-CG 3.49Å; N361-M365 PolarHBondContact O-N 3.42Å; K362-M365 WeakPolarHBondContact O-CB 3.31Å; K362-M365 PolarHBondContact O-N 3.36Å; M365-R367 PolarHBondContact O-N 2.88Å; M365-G368 CarbonylContact O-C 3.52Å; M365-G368 PolarHBondContact O-N 3.17Å; M365-G368 VanDerWaalsContact O-N 3.14Å; M365-D369 PolarHBondContact O-N 2.83Å; M365-Y370 PolarHBondContact O-N 3.12Å; M365-V375 HydrophobicContact CE-CG2 3.84Å; M365-M419 HydrophobicContact CB-CG 4.23Å; M365-M419 HydrophobicContact CB-SD 4.36Å; M365-M419 HydrophobicContact CG-CG 3.33Å; M365-M419 HydrophobicContact CG-SD 3.59Å; M365-M419 VanDerWaalsContact CG-SD 3.59Å
366	E	85.8	Confident	84.7	Confident	123 Å²	123	48.2 Å²	48.2	58%	0.575	24%	0.24	S	C	*	.	H	α-helix	trans	-63.9	-40.5	-179.8	-72.7	171.3	-172.6	0	0	111.7	K362 G368 D369	K362-E366 WeakPolarHBondContact CE-OE1 3.42Å; K362-E366 WeakPolarHBondContact O-CG 3.44Å; K362-E366 PolarHBondContact O-N 3.17Å; E366-G368 VanDerWaalsContact C-N 3.26Å; E366-G368 PolarHBondContact O-N 3.25Å; E366-D369 PolarHBondContact O-N 2.96Å; E366-D369 VanDerWaalsContact O-N 3.16Å
367	R	85.4	Confident	84.3	Confident	194 Å²	194	49.3 Å²	49.3	73%	0.732	25%	0.249	S	C	*	.	H	α-helix	trans	-62.1	-33.2	173.3	-78	-174.3	-66.4	149.7	-1.4	113.2	E363 A364 M365 D369	E363-R367 WeakPolarHBondContact O-CB 3.4Å; E363-R367 WeakPolarHBondContact O-CG 3.48Å; E363-R367 PolarHBondContact O-N 2.98Å; E363-R367 VanDerWaalsContact O-N 3.11Å; E363-R367 PolarHBondContact O-NE 3.33Å; A364-R367 PolarHBondContact O-N 3.31Å; M365-R367 PolarHBondContact O-N 2.88Å; R367-D369 VanDerWaalsContact C-N 3.31Å
368	G	79.8	Confident	83.7	Confident	35 Å²	35	49.4 Å²	49.4	36%	0.361	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3	177.2	0	0	0	0	0	114.7	A364 M365 E366 Y370	A364-G368 PolarHBondContact O-N 3.31Å; M365-G368 CarbonylContact O-C 3.52Å; M365-G368 PolarHBondContact O-N 3.17Å; M365-G368 VanDerWaalsContact O-N 3.14Å; E366-G368 VanDerWaalsContact C-N 3.26Å; E366-G368 PolarHBondContact O-N 3.25Å; G368-Y370 WeakPolarHBondContact O-CD2 3.44Å; G368-Y370 PolarHBondContact O-N 3.4Å
369	D	83.3	Confident	83	Confident	106 Å²	106	49.6 Å²	49.6	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.8	-172.9	-172.2	37.1	0	0	0	112.9	M365 E366 R367 K402	M365-D369 PolarHBondContact O-N 2.83Å; E366-D369 PolarHBondContact O-N 2.96Å; E366-D369 VanDerWaalsContact O-N 3.16Å; R367-D369 VanDerWaalsContact C-N 3.31Å; D369-K402 PolarHBondContact O-NZ 3.07Å; D369-K402 IonicContact OD1-NZ 2.72Å; D369-K402 IonicContact OD2-NZ 3.82Å; D369-K402 PolarHBondContact OD2-NZ 3.11Å
370	Y	83.1	Confident	82	Confident	39 Å²	39	54.6 Å²	54.6	15%	0.153	27%	0.273	C	S	.	.			trans	-106.6	135.7	174.4	-61.8	-62.5	0	0	0	111.2	M365 G368 K402 I406 M419	M365-Y370 PolarHBondContact O-N 3.12Å; G368-Y370 WeakPolarHBondContact O-CD2 3.44Å; G368-Y370 PolarHBondContact O-N 3.4Å; Y370-K402 HydrophobicContact CE1-CB 4.27Å; Y370-K402 HydrophobicContact CE1-CG 4.43Å; Y370-I406 HydrophobicContact CD1-CD1 3.8Å; Y370-I406 HydrophobicContact CD1-CG1 3.72Å; Y370-I406 HydrophobicContact CE1-CD1 4Å; Y370-I406 HydrophobicContact CE1-CG1 3.58Å; Y370-I406 HydrophobicContact CG-CG1 4.37Å; Y370-M419 HydrophobicContact CD2-SD 3.56Å; Y370-M419 VanDerWaalsContact CD2-SD 3.56Å; Y370-M419 HydrophobicContact CE2-SD 4.29Å; Y370-M419 HydrophobicContact CG-SD 3.98Å
371	T	84.4	Confident	80.6	Confident	67 Å²	67	56 Å²	56	41%	0.411	28%	0.281	S	S	.	.			trans	-109.9	161	171.3	68.3	0	0	0	0	109.9	N373 N374 V375	T371-N373 PolarHBondContact O-N 2.83Å; T371-N374 PolarHBondContact N-ND2 3.46Å; T371-N374 WeakPolarHBondContact O-CB 3.29Å; T371-N374 PolarHBondContact O-N 2.76Å; T371-N374 PolarHBondContact OG1-N 2.88Å; T371-N374 PolarHBondContact OG1-ND2 3.41Å; T371-N374 PolarHBondContact OG1-OD1 2.84Å; T371-N374 VanDerWaalsContact OG1-OD1 3.05Å; T371-V375 PolarHBondContact O-N 2.83Å
372	L	81.9	Confident	78.9	Confident	27 Å²	27	56.8 Å²	56.8	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-41.2	175.5	-143	179.4	0	0	0	111.3	E233 V291 L293 N374 V375 H376	E233-L372 HydrophobicContact CB-CD1 3.77Å; E233-L372 HydrophobicContact CB-CD2 3.73Å; E233-L372 HydrophobicContact CB-CG 4.38Å; E233-L372 VanDerWaalsContact CD-CD2 3.42Å; E233-L372 HydrophobicContact CG-CD1 4.35Å; E233-L372 HydrophobicContact CG-CD2 3.42Å; E233-L372 VanDerWaalsContact CG-CD2 3.42Å; E233-L372 HydrophobicContact CG-CG 4.45Å; E233-L372 WeakPolarHBondContact OE2-CD2 3.42Å; V291-L372 HydrophobicContact CG1-CB 4.5Å; V291-L372 HydrophobicContact CG1-CD1 3.11Å; V291-L372 HydrophobicContact CG1-CD2 4.46Å; V291-L372 HydrophobicContact CG1-CG 3.47Å; V291-L372 VanDerWaalsContact CG1-CG 3.47Å; L293-L372 HydrophobicContact CD1-CD2 4.14Å; L372-N374 VanDerWaalsContact C-N 3.28Å; L372-N374 PolarHBondContact O-N 2.81Å; L372-V375 PolarHBondContact O-N 2.91Å; L372-V375 VanDerWaalsContact O-N 3.1Å; L372-H376 WeakPolarHBondContact O-CB 3.37Å; L372-H376 PolarHBondContact O-N 2.81Å
373	N	81.1	Confident	77.2	Confident	106 Å²	106	53.7 Å²	53.7	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-57.3	-37.8	173.2	-75.3	-36.1	0	0	0	112.9	T371 A377	T371-N373 PolarHBondContact O-N 2.83Å; N373-A377 VanDerWaalsContact O-CB 3.22Å; N373-A377 WeakPolarHBondContact O-CB 3.45Å; N373-A377 PolarHBondContact O-N 2.95Å
374	N	79.5	Confident	75.1	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-44.2	176.6	-63.5	-12	0	0	0	110.7	T371 L372 C378 V398 I406	T371-N374 PolarHBondContact N-ND2 3.46Å; T371-N374 WeakPolarHBondContact O-CB 3.29Å; T371-N374 PolarHBondContact O-N 2.76Å; T371-N374 PolarHBondContact OG1-N 2.88Å; T371-N374 PolarHBondContact OG1-ND2 3.41Å; T371-N374 PolarHBondContact OG1-OD1 2.84Å; T371-N374 VanDerWaalsContact OG1-OD1 3.05Å; L372-N374 VanDerWaalsContact C-N 3.28Å; L372-N374 PolarHBondContact O-N 2.81Å; N374-C378 VanDerWaalsContact O-CB 3.31Å; N374-C378 WeakPolarHBondContact O-CB 3.43Å; N374-C378 PolarHBondContact O-N 3.49Å; N374-V398 HydrophobicContact CB-CG1 4.42Å; N374-I406 HydrophobicContact CB-CD1 4.26Å
375	V	78.2	Confident	72.7	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-68.8	-43.2	179.3	-172.5	0	0	0	0	110.8	L293 M360 M365 T371 L372 A377 C378 A379 I406 M419	L293-V375 HydrophobicContact CD2-CG1 3.78Å; M360-V375 HydrophobicContact CE-CG1 4.34Å; M360-V375 HydrophobicContact SD-CB 4.17Å; M360-V375 HydrophobicContact SD-CG1 3.76Å; M360-V375 HydrophobicContact SD-CG2 3.77Å; M365-V375 HydrophobicContact CE-CG2 3.84Å; T371-V375 PolarHBondContact O-N 2.83Å; L372-V375 PolarHBondContact O-N 2.91Å; L372-V375 VanDerWaalsContact O-N 3.1Å; V375-A377 PolarHBondContact O-N 2.87Å; V375-C378 WeakPolarHBondContact O-CB 3.45Å; V375-C378 PolarHBondContact O-N 2.86Å; V375-A379 VanDerWaalsContact O-CB 3.27Å; V375-A379 WeakPolarHBondContact O-CB 3.38Å; V375-A379 PolarHBondContact O-N 3.3Å; V375-I406 HydrophobicContact CG1-CG2 4.26Å; V375-I406 HydrophobicContact CG2-CD1 4.11Å; V375-I406 HydrophobicContact CG2-CG2 4.47Å; V375-M419 HydrophobicContact CG2-CE 4.46Å
376	H	81	Confident	70.1	Confident	46 Å²	46	63.4 Å²	63.4	21%	0.213	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-44.2	176	175.1	-82.7	0	0	0	112	L231 E233 L293 L372 A379 K380	L231-H376 VanDerWaalsContact CB-CD2 3.45Å; L231-H376 WeakPolarHBondContact CB-CD2 3.44Å; L231-H376 WeakPolarHBondContact CB-NE2 3.42Å; E233-H376 HydrophobicContact CG-CB 4.44Å; E233-H376 WeakPolarHBondContact OE1-CB 3.41Å; E233-H376 IonicContact OE1-CD2 3.81Å; E233-H376 PolarHBondContact OE1-CD2 2.9Å; E233-H376 VanDerWaalsContact OE1-CD2 3.32Å; E233-H376 IonicContact OE1-CG 3.7Å; E233-H376 IonicContact OE1-ND1 3.8Å; L293-H376 HydrophobicContact CD1-CB 4.05Å; L372-H376 WeakPolarHBondContact O-CB 3.37Å; L372-H376 PolarHBondContact O-N 2.81Å; H376-A379 PolarHBondContact O-N 2.95Å; H376-K380 WeakPolarHBondContact O-CB 3.22Å; H376-K380 PolarHBondContact O-N 3.11Å
377	A	76.6	Confident	67.4	Low	23 Å²	23	60.3 Å²	60.3	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-39	177	0	0	0	0	0	112.6	N373 V375 V398	N373-A377 VanDerWaalsContact O-CB 3.22Å; N373-A377 WeakPolarHBondContact O-CB 3.45Å; N373-A377 PolarHBondContact O-N 2.95Å; V375-A377 PolarHBondContact O-N 2.87Å; A377-V398 HydrophobicContact CB-CG2 4Å
378	C	75.9	Confident	64.7	Low	3 Å²	3	55.3 Å²	55.3	2%	0.02	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-53.7	173.9	-174.4	0	0	0	0	110.7	N374 V375 K380 N381 D382 C403 I406	N374-C378 VanDerWaalsContact O-CB 3.31Å; N374-C378 WeakPolarHBondContact O-CB 3.43Å; N374-C378 PolarHBondContact O-N 3.49Å; V375-C378 WeakPolarHBondContact O-CB 3.45Å; V375-C378 PolarHBondContact O-N 2.86Å; C378-K380 VanDerWaalsContact C-N 3.33Å; C378-K380 PolarHBondContact O-N 3.14Å; C378-N381 PolarHBondContact O-N 2.92Å; C378-N381 VanDerWaalsContact O-N 3.11Å; C378-D382 PolarHBondContact O-N 3.32Å; C378-D382 PolarHBondContact SG-OD2 2.82Å; C378-C403 HydrophobicContact CB-CB 4.08Å; C378-C403 VanDerWaalsContact CB-SG 3.56Å; C378-C403 WeakPolarHBondContact SG-CA 3.26Å; C378-C403 WeakPolarHBondContact SG-CB 3.41Å; C378-I406 HydrophobicContact CB-CD1 4.39Å
379	A	74.5	Confident	62.7	Low	5 Å²	5	57.8 Å²	57.8	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-52.9	-51	177.5	0	0	0	0	0	111.2	L231 L293 V375 H376 N381 D382 F383	L231-A379 HydrophobicContact CD1-CB 3.85Å; L231-A379 HydrophobicContact CD2-CB 4.02Å; L293-A379 HydrophobicContact CD2-CB 3.97Å; V375-A379 VanDerWaalsContact O-CB 3.27Å; V375-A379 WeakPolarHBondContact O-CB 3.38Å; V375-A379 PolarHBondContact O-N 3.3Å; H376-A379 PolarHBondContact O-N 2.95Å; A379-N381 PolarHBondContact O-N 3.27Å; A379-D382 PolarHBondContact O-N 2.95Å; A379-F383 HydrophobicContact CB-CD2 3.73Å; A379-F383 HydrophobicContact CB-CE2 3.46Å; A379-F383 VanDerWaalsContact CB-CE2 3.46Å; A379-F383 WeakPolarHBondContact O-CB 3.4Å; A379-F383 WeakPolarHBondContact O-CD2 3.38Å; A379-F383 WeakPolarHBondContact O-CG 3.42Å; A379-F383 PolarHBondContact O-N 3.45Å; A379-F383 VanDerWaalsContact O-N 3.09Å
380	K	69.1	Low	60.3	Low	105 Å²	105	61.3 Å²	61.3	46%	0.457	35%	0.352	S	S	.	.	H	α-helix	trans	-55.7	-25.5	-177.2	-169.6	167.7	-174.2	162.3	0	114.6	L231 H376 C378	L231-K380 HydrophobicContact CD1-CB 3.9Å; H376-K380 WeakPolarHBondContact O-CB 3.22Å; H376-K380 PolarHBondContact O-N 3.11Å; C378-K380 VanDerWaalsContact C-N 3.33Å; C378-K380 PolarHBondContact O-N 3.14Å
381	N	58.6	Low	57.9	Low	30 Å²	30	68 Å²	68	16%	0.16	39%	0.385	C	S	.	.	H	α-helix	trans	-100.2	-42.4	-173.6	-76.7	-10.1	0	0	0	112.9	C378 A379 F383 K384 V392	C378-N381 PolarHBondContact O-N 2.92Å; C378-N381 VanDerWaalsContact O-N 3.11Å; A379-N381 PolarHBondContact O-N 3.27Å; N381-F383 VanDerWaalsContact C-N 3.25Å; N381-F383 PolarHBondContact O-N 3.45Å; N381-K384 PolarHBondContact O-N 2.92Å; N381-V392 HydrophobicContact CB-CG1 3.77Å; N381-V392 VanDerWaalsContact CG-CG1 3.45Å; N381-V392 WeakPolarHBondContact ND2-CG1 3.22Å
382	D	52.7	Low	55.6	Low	56 Å²	56	67.8 Å²	67.8	30%	0.299	38%	0.383	S	S	.	.	H	α-helix	trans	-70	-24.8	176.1	-65.2	-45.1	0	0	0	112.2	C378 A379 K384 L407	C378-D382 PolarHBondContact O-N 3.32Å; C378-D382 PolarHBondContact SG-OD2 2.82Å; A379-D382 PolarHBondContact O-N 2.95Å; D382-K384 VanDerWaalsContact C-N 3.31Å; D382-K384 PolarHBondContact O-N 3.35Å; D382-L407 HydrophobicContact CB-CD2 4.41Å; D382-L407 WeakPolarHBondContact OD2-CD1 3.34Å
383	F	52.2	Low	53.4	Low	28 Å²	28	77.3 Å²	77.3	12%	0.123	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.9	177.1	-60.3	-55.3	0	0	0	114.3	F229 Y356 A379 N381 I385 L443 P444	F229-F383 HydrophobicContact CD2-CB 4.19Å; Y356-F383 AromaticContact CZ-CE2 3.89Å; Y356-F383 AromaticContact CZ-CZ 3.87Å; Y356-F383 WeakPolarHBondContact OH-CD2 3.15Å; Y356-F383 WeakPolarHBondContact OH-CE2 3.26Å; Y356-F383 WeakPolarHBondContact OH-CZ 3.4Å; A379-F383 HydrophobicContact CB-CD2 3.73Å; A379-F383 HydrophobicContact CB-CE2 3.46Å; A379-F383 VanDerWaalsContact CB-CE2 3.46Å; A379-F383 WeakPolarHBondContact O-CB 3.4Å; A379-F383 WeakPolarHBondContact O-CD2 3.38Å; A379-F383 WeakPolarHBondContact O-CG 3.42Å; A379-F383 PolarHBondContact O-N 3.45Å; A379-F383 VanDerWaalsContact O-N 3.09Å; N381-F383 VanDerWaalsContact C-N 3.25Å; N381-F383 PolarHBondContact O-N 3.45Å; F383-I385 PolarHBondContact O-N 2.7Å; F383-L443 HydrophobicContact CE1-CB 4.21Å; F383-L443 HydrophobicContact CE1-CD1 4.39Å; F383-L443 HydrophobicContact CE1-CD2 4.4Å; F383-L443 HydrophobicContact CZ-CD1 4.04Å; F383-L443 HydrophobicContact CZ-CD2 4.02Å; F383-L443 HydrophobicContact CZ-CG 4.44Å; F383-P444 HydrophobicContact CD1-CG 4.13Å; F383-P444 HydrophobicContact CE1-CG 3.96Å
384	K	43.1	Very low	51.4	Low	144 Å²	144	73.8 Å²	73.8	63%	0.626	40%	0.401	S	S	*	.	S	Bend	trans	-87	80.3	166.4	-74.5	-176.4	178.6	-176.5	0	109.8	N381 D382	N381-K384 PolarHBondContact O-N 2.92Å; D382-K384 VanDerWaalsContact C-N 3.31Å; D382-K384 PolarHBondContact O-N 3.35Å
385	I	34.6	Very low	49.3	Very low	101 Å²	101	81.8 Å²	81.8	52%	0.518	44%	0.435	S	S	.	.	S	Bend	trans	35.1	94.3	153.6	-48.4	178	0	0	0	115.1	F383 G387 A446	F383-I385 PolarHBondContact O-N 2.7Å; I385-G387 PolarHBondContact O-N 3.13Å; I385-A446 HydrophobicContact CG2-CB 3.95Å
386	G	31	Very low	47.4	Very low	71 Å²	71	90.5 Å²	90.5	73%	0.732	48%	0.481	S	S	*	.	S	Bend	trans	71	23.3	142	0	0	0	0	0	118.3
387	G	29	Very low	45.8	Very low	59 Å²	59	92 Å²	92	61%	0.608	51%	0.509	S	S	*	.			trans	-98.6	125	166.5	0	0	0	0	0	110.5	I385 I389	I385-G387 PolarHBondContact O-N 3.13Å; G387-I389 PolarHBondContact O-N 3.47Å
388	A	29	Very low	44.8	Very low	88 Å²	88	92 Å²	92	73%	0.727	51%	0.506	S	S	*	.			trans	-42.7	141.6	153.2	0	0	0	0	0	109.1	E390	A388-E390 PolarHBondContact O-N 3.13Å
389	I	37.6	Very low	44.2	Very low	88 Å²	88	95.4 Å²	95.4	45%	0.451	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	70.6	177.9	-52.1	166.5	0	0	0	109.1	G387 I400	G387-I389 PolarHBondContact O-N 3.47Å; I389-I400 HydrophobicContact CG2-CG2 4.46Å
390	E	33.2	Very low	43.7	Very low	180 Å²	180	99.5 Å²	99.5	84%	0.841	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-29.1	173.2	-88.4	-164.6	155.5	0	0	113.3	A388	A388-E390 PolarHBondContact O-N 3.13Å
391	E	31.9	Very low	43.6	Very low	180 Å²	180	97 Å²	97	84%	0.841	55%	0.554	S	S	*	*			trans	-151.8	93.7	176.9	-102.1	176	-172.3	0	0	112.4
392	V	36.1	Very low	44.2	Very low	62 Å²	62	98.6 Å²	98.6	38%	0.376	56%	0.56	S	S	.	*			trans	-120.7	108.6	161.2	-171.9	0	0	0	0	109.7	N381 V394	N381-V392 HydrophobicContact CB-CG1 3.77Å; N381-V392 VanDerWaalsContact CG-CG1 3.45Å; N381-V392 WeakPolarHBondContact ND2-CG1 3.22Å; V392-V394 VanDerWaalsContact C-N 3.25Å; V392-V394 PolarHBondContact O-N 3.34Å
393	Y	35.8	Very low	45.2	Very low	226 Å²	226	96.4 Å²	96.4	89%	0.886	55%	0.549	S	S	*	.			trans	-59.1	92.6	159.6	-90.7	-94	0	0	0	108.5	K395	Y393-K395 PolarHBondContact O-N 3.24Å
394	V	39.6	Very low	46.2	Very low	32 Å²	32	101.5 Å²	101.5	19%	0.194	57%	0.567	C	S	.	*			trans	-64.1	118	170.7	-166.5	0	0	0	0	106.9	V392 L396 V398 I400	V392-V394 VanDerWaalsContact C-N 3.25Å; V392-V394 PolarHBondContact O-N 3.34Å; V394-L396 PolarHBondContact O-N 3.25Å; V394-V398 WeakPolarHBondContact CB-O 3.1Å; V394-V398 HydrophobicContact CG1-CB 3.84Å; V394-V398 VanDerWaalsContact CG1-O 3.28Å; V394-V398 WeakPolarHBondContact CG1-O 3.4Å; V394-I400 HydrophobicContact CG2-CG1 4.12Å
395	K	35.6	Very low	47.6	Very low	187 Å²	187	95.6 Å²	95.6	81%	0.813	55%	0.548	S	S	*	.			trans	-48.3	131.6	169.8	-103.9	-176.9	172.1	-175.5	0	108.5	Y393 G397	Y393-K395 PolarHBondContact O-N 3.24Å; K395-G397 PolarHBondContact O-N 2.76Å
396	L	38.4	Very low	49.5	Very low	186 Å²	186	90.9 Å²	90.9	97%	0.974	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-21.9	108.9	-173.9	-84.5	90.7	0	0	0	114.3	V394	V394-L396 PolarHBondContact O-N 3.25Å
397	G	46.7	Very low	51.4	Low	78 Å²	78	89.3 Å²	89.3	80%	0.804	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.2	-18.6	159.6	0	0	0	0	0	118	K395	K395-G397 PolarHBondContact O-N 2.76Å
398	V	56.6	Low	53.5	Low	22 Å²	22	90.8 Å²	90.8	13%	0.133	49%	0.492	C	S	.	.			trans	-118.5	127.1	-176.2	-173.3	0	0	0	0	111.2	N374 A377 V394 K402	N374-V398 HydrophobicContact CB-CG1 4.42Å; A377-V398 HydrophobicContact CB-CG2 4Å; V394-V398 WeakPolarHBondContact CB-O 3.1Å; V394-V398 HydrophobicContact CG1-CB 3.84Å; V394-V398 VanDerWaalsContact CG1-O 3.28Å; V394-V398 WeakPolarHBondContact CG1-O 3.4Å; V398-K402 HydrophobicContact CG1-CB 4.36Å
399	S	62.1	Low	55.6	Low	75 Å²	75	88.9 Å²	88.9	52%	0.524	47%	0.468	S	S	.	.			trans	-75.7	139.9	177.7	173	0	0	0	0	111.6	G401 K402 C403	S399-G401 PolarHBondContact O-N 3.17Å; S399-G401 VanDerWaalsContact O-N 3.12Å; S399-G401 PolarHBondContact OG-N 3.15Å; S399-K402 PolarHBondContact O-N 3.46Å; S399-C403 PolarHBondContact O-N 3.45Å
400	I	65.3	Low	57.2	Low	91 Å²	91	85.2 Å²	85.2	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-52.4	-33.7	173.7	-63.2	170	0	0	0	111.3	I389 V394 C403 R404	I389-I400 HydrophobicContact CG2-CG2 4.46Å; V394-I400 HydrophobicContact CG2-CG1 4.12Å; I400-C403 PolarHBondContact O-N 3.26Å; I400-R404 PolarHBondContact O-N 3.28Å; I400-R404 VanDerWaalsContact O-N 3.08Å
401	G	66.3	Low	58.9	Low	52 Å²	52	84.7 Å²	84.7	54%	0.536	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-38.7	175.9	0	0	0	0	0	113.5	S399 G405	S399-G401 PolarHBondContact O-N 3.17Å; S399-G401 VanDerWaalsContact O-N 3.12Å; S399-G401 PolarHBondContact OG-N 3.15Å; G401-G405 PolarHBondContact O-N 3.24Å; G401-G405 VanDerWaalsContact O-N 3.13Å
402	K	71.9	Confident	60.7	Low	64 Å²	64	79.1 Å²	79.1	28%	0.278	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-41	176.4	-77.1	-164.3	174.6	-164.5	0	111.1	D369 Y370 V398 S399 G405 I406	D369-K402 PolarHBondContact O-NZ 3.07Å; D369-K402 IonicContact OD1-NZ 2.72Å; D369-K402 IonicContact OD2-NZ 3.82Å; D369-K402 PolarHBondContact OD2-NZ 3.11Å; Y370-K402 HydrophobicContact CE1-CB 4.27Å; Y370-K402 HydrophobicContact CE1-CG 4.43Å; V398-K402 HydrophobicContact CG1-CB 4.36Å; S399-K402 PolarHBondContact O-N 3.46Å; K402-G405 PolarHBondContact O-N 3.01Å; K402-I406 WeakPolarHBondContact O-CG1 3.48Å; K402-I406 PolarHBondContact O-N 2.81Å
403	C	73.3	Confident	62.2	Low	11 Å²	11	78.5 Å²	78.5	7%	0.074	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-46	176.2	-67.4	0	0	0	0	112.3	C378 S399 I400 G405 I406 L407	C378-C403 HydrophobicContact CB-CB 4.08Å; C378-C403 VanDerWaalsContact CB-SG 3.56Å; C378-C403 WeakPolarHBondContact SG-CA 3.26Å; C378-C403 WeakPolarHBondContact SG-CB 3.41Å; S399-C403 PolarHBondContact O-N 3.45Å; I400-C403 PolarHBondContact O-N 3.26Å; C403-G405 VanDerWaalsContact C-N 3.26Å; C403-G405 PolarHBondContact O-N 2.83Å; C403-I406 PolarHBondContact O-N 3.16Å; C403-I406 VanDerWaalsContact O-N 3.16Å; C403-L407 WeakPolarHBondContact O-CG 3.24Å; C403-L407 PolarHBondContact O-N 2.91Å
404	R	73.1	Confident	63.4	Low	134 Å²	134	74.8 Å²	74.8	51%	0.506	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-35.4	177	-167.1	179.3	-75.4	176.2	-3.9	112.1	I400 N408	I400-R404 PolarHBondContact O-N 3.28Å; I400-R404 VanDerWaalsContact O-N 3.08Å; R404-N408 VanDerWaalsContact O-CG 3.28Å; R404-N408 PolarHBondContact O-N 2.63Å; R404-N408 VanDerWaalsContact O-N 3.13Å; R404-N408 PolarHBondContact O-ND2 3.41Å
405	G	73.1	Confident	64.5	Low	21 Å²	21	79.2 Å²	79.2	22%	0.216	42%	0.423	C	S	.	.	H	α-helix	trans	-61.5	-49.5	171.9	0	0	0	0	0	112.8	G401 K402 C403 L407 N408 E409	G401-G405 PolarHBondContact O-N 3.24Å; G401-G405 VanDerWaalsContact O-N 3.13Å; K402-G405 PolarHBondContact O-N 3.01Å; C403-G405 VanDerWaalsContact C-N 3.26Å; C403-G405 PolarHBondContact O-N 2.83Å; G405-L407 PolarHBondContact O-N 3Å; G405-N408 PolarHBondContact O-N 2.78Å; G405-E409 PolarHBondContact O-N 3.13Å
406	I	73.9	Confident	65.5	Low	1 Å²	1	79.6 Å²	79.6	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-60.4	-45	178.1	-67	163.5	0	0	0	111.3	Y370 N374 V375 C378 K402 C403 N408 E409 I410 M419	Y370-I406 HydrophobicContact CD1-CD1 3.8Å; Y370-I406 HydrophobicContact CD1-CG1 3.72Å; Y370-I406 HydrophobicContact CE1-CD1 4Å; Y370-I406 HydrophobicContact CE1-CG1 3.58Å; Y370-I406 HydrophobicContact CG-CG1 4.37Å; N374-I406 HydrophobicContact CB-CD1 4.26Å; V375-I406 HydrophobicContact CG1-CG2 4.26Å; V375-I406 HydrophobicContact CG2-CD1 4.11Å; V375-I406 HydrophobicContact CG2-CG2 4.47Å; C378-I406 HydrophobicContact CB-CD1 4.39Å; K402-I406 WeakPolarHBondContact O-CG1 3.48Å; K402-I406 PolarHBondContact O-N 2.81Å; C403-I406 PolarHBondContact O-N 3.16Å; C403-I406 VanDerWaalsContact O-N 3.16Å; I406-N408 VanDerWaalsContact C-N 3.32Å; I406-N408 PolarHBondContact O-N 3.47Å; I406-E409 PolarHBondContact O-N 2.97Å; I406-E409 VanDerWaalsContact O-N 3.16Å; I406-I410 HydrophobicContact CG2-CD1 4.09Å; I406-I410 WeakPolarHBondContact O-CG1 3.37Å; I406-I410 PolarHBondContact O-N 2.91Å; I406-M419 HydrophobicContact CG1-CE 4.41Å; I406-M419 HydrophobicContact CG2-CE 4.18Å
407	L	71.3	Confident	66.5	Low	39 Å²	39	78.1 Å²	78.1	20%	0.204	41%	0.413	C	S	.	.	H	α-helix	trans	-60.2	-41.6	177.3	-73.7	175.3	0	0	0	112.3	D382 C403 G405 E409 I410 K411 L443	D382-L407 HydrophobicContact CB-CD2 4.41Å; D382-L407 WeakPolarHBondContact OD2-CD1 3.34Å; C403-L407 WeakPolarHBondContact O-CG 3.24Å; C403-L407 PolarHBondContact O-N 2.91Å; G405-L407 PolarHBondContact O-N 3Å; L407-E409 VanDerWaalsContact C-N 3.32Å; L407-E409 PolarHBondContact O-N 3.04Å; L407-I410 PolarHBondContact O-N 2.82Å; L407-K411 PolarHBondContact O-N 2.91Å; L407-L443 HydrophobicContact CD2-CD1 4.26Å
408	N	73.1	Confident	67.8	Low	89 Å²	89	75.7 Å²	75.7	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-39.9	176	-74.5	-21.5	0	0	0	111.2	R404 G405 I406 I410 K411 D412	R404-N408 VanDerWaalsContact O-CG 3.28Å; R404-N408 PolarHBondContact O-N 2.63Å; R404-N408 VanDerWaalsContact O-N 3.13Å; R404-N408 PolarHBondContact O-ND2 3.41Å; G405-N408 PolarHBondContact O-N 2.78Å; I406-N408 VanDerWaalsContact C-N 3.32Å; I406-N408 PolarHBondContact O-N 3.47Å; N408-I410 PolarHBondContact O-N 2.89Å; N408-K411 PolarHBondContact O-N 3.26Å; N408-D412 VanDerWaalsContact O-CB 3.25Å; N408-D412 WeakPolarHBondContact O-CB 3.49Å; N408-D412 PolarHBondContact O-N 2.93Å
409	E	72.8	Confident	69	Low	49 Å²	49	74.8 Å²	74.8	23%	0.229	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-35.8	175.2	-72.2	-164.3	126.2	0	0	113.2	G405 I406 L407 D412 R413 M419 V420	G405-E409 PolarHBondContact O-N 3.13Å; I406-E409 PolarHBondContact O-N 2.97Å; I406-E409 VanDerWaalsContact O-N 3.16Å; L407-E409 VanDerWaalsContact C-N 3.32Å; L407-E409 PolarHBondContact O-N 3.04Å; E409-D412 PolarHBondContact O-N 3.09Å; E409-R413 PolarHBondContact O-N 2.8Å; E409-R413 VanDerWaalsContact O-N 3.15Å; E409-M419 VanDerWaalsContact CD-CB 3.42Å; E409-M419 WeakPolarHBondContact OE1-CB 3.39Å; E409-M419 PolarHBondContact OE1-N 2.81Å; E409-M419 WeakPolarHBondContact OE2-CB 3.33Å; E409-M419 WeakPolarHBondContact OE2-CE 3.29Å; E409-V420 HydrophobicContact CB-CG2 4.44Å
410	I	71.3	Confident	70	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-67	-40.9	174.5	-62	165.2	0	0	0	110.8	L358 I406 L407 N408 D412 R413 V420 L443	L358-I410 HydrophobicContact CD1-CD1 3.99Å; L358-I410 HydrophobicContact CD2-CD1 4.39Å; L358-I410 HydrophobicContact CD2-CG1 4.31Å; L358-I410 HydrophobicContact CD2-CG2 4.28Å; I406-I410 HydrophobicContact CG2-CD1 4.09Å; I406-I410 WeakPolarHBondContact O-CG1 3.37Å; I406-I410 PolarHBondContact O-N 2.91Å; L407-I410 PolarHBondContact O-N 2.82Å; N408-I410 PolarHBondContact O-N 2.89Å; I410-D412 VanDerWaalsContact C-N 3.35Å; I410-R413 WeakPolarHBondContact O-CB 3.29Å; I410-R413 WeakPolarHBondContact O-CG 3.46Å; I410-V420 HydrophobicContact CG1-CG2 3.78Å; I410-L443 HydrophobicContact CB-CD1 4.25Å; I410-L443 HydrophobicContact CD1-CD1 3.95Å; I410-L443 HydrophobicContact CG2-CD1 3.66Å; I410-L443 HydrophobicContact CG2-CD2 4.01Å; I410-L443 HydrophobicContact CG2-CG 3.7Å
411	K	68.9	Low	70.9	Confident	170 Å²	170	69.7 Å²	69.7	74%	0.739	34%	0.342	S	S	*	.	H	α-helix	trans	-66.6	-37.7	176.8	-169.5	173.8	-177.3	173.3	0	111.9	L407 N408 R413	L407-K411 PolarHBondContact O-N 2.91Å; N408-K411 PolarHBondContact O-N 3.26Å; K411-R413 VanDerWaalsContact C-N 3.34Å; K411-R413 PolarHBondContact O-N 2.82Å
412	D	69.4	Low	71.8	Confident	63 Å²	63	67.9 Å²	67.9	34%	0.337	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8.4	-178.5	-83	-17.7	0	0	0	114.5	N408 E409 I410 N414 K415	N408-D412 VanDerWaalsContact O-CB 3.25Å; N408-D412 WeakPolarHBondContact O-CB 3.49Å; N408-D412 PolarHBondContact O-N 2.93Å; E409-D412 PolarHBondContact O-N 3.09Å; I410-D412 VanDerWaalsContact C-N 3.35Å; D412-N414 PolarHBondContact O-N 3.38Å; D412-K415 HydrophobicContact CB-CD 3.99Å; D412-K415 HydrophobicContact CB-CG 4.45Å; D412-K415 WeakPolarHBondContact O-CB 3.34Å; D412-K415 WeakPolarHBondContact O-CG 3.43Å; D412-K415 PolarHBondContact O-N 3.5Å; D412-K415 VanDerWaalsContact OD1-CE 3.3Å; D412-K415 WeakPolarHBondContact OD1-CE 3.44Å; D412-K415 IonicContact OD1-NZ 2.95Å; D412-K415 PolarHBondContact OD1-NZ 2.9Å; D412-K415 IonicContact OD2-NZ 2.75Å; D412-K415 PolarHBondContact OD2-NZ 3.45Å
413	R	68.1	Low	72.4	Confident	49 Å²	49	64.8 Å²	64.8	19%	0.185	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-16.5	-174.9	72.2	-177.7	-167.9	-130.7	3.3	116.9	E409 I410 K411 K415 V420 L423 Y440 Q441	E409-R413 PolarHBondContact O-N 2.8Å; E409-R413 VanDerWaalsContact O-N 3.15Å; I410-R413 WeakPolarHBondContact O-CB 3.29Å; I410-R413 WeakPolarHBondContact O-CG 3.46Å; K411-R413 VanDerWaalsContact C-N 3.34Å; K411-R413 PolarHBondContact O-N 2.82Å; R413-K415 VanDerWaalsContact C-N 3.32Å; R413-V420 HydrophobicContact CB-CG1 4.48Å; R413-L423 VanDerWaalsContact NH1-CD2 3.28Å; R413-Y440 PolarHBondContact NH2-O 3.25Å; R413-Q441 VanDerWaalsContact CZ-O 3.28Å; R413-Q441 PolarHBondContact NH1-O 2.97Å; R413-Q441 PolarHBondContact NH2-O 2.71Å
414	N	61.2	Low	73.1	Confident	147 Å²	147	64.3 Å²	64.3	79%	0.786	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.9	176.2	-65.3	-29.2	0	0	0	113.1	D412	D412-N414 PolarHBondContact O-N 3.38Å
415	K	62.5	Low	73.7	Confident	125 Å²	125	58 Å²	58	54%	0.543	28%	0.28	S	S	.	.	S	Bend	trans	-84.8	152.4	175.3	-62.9	-178.7	-172.1	166	0	110.2	D412 R413 T418	D412-K415 HydrophobicContact CB-CD 3.99Å; D412-K415 HydrophobicContact CB-CG 4.45Å; D412-K415 WeakPolarHBondContact O-CB 3.34Å; D412-K415 WeakPolarHBondContact O-CG 3.43Å; D412-K415 PolarHBondContact O-N 3.5Å; D412-K415 VanDerWaalsContact OD1-CE 3.3Å; D412-K415 WeakPolarHBondContact OD1-CE 3.44Å; D412-K415 IonicContact OD1-NZ 2.95Å; D412-K415 PolarHBondContact OD1-NZ 2.9Å; D412-K415 IonicContact OD2-NZ 2.75Å; D412-K415 PolarHBondContact OD2-NZ 3.45Å; R413-K415 VanDerWaalsContact C-N 3.32Å; K415-T418 HydrophobicContact CB-CG2 4.12Å
416	R	55.3	Low	74.3	Confident	195 Å²	195	57.4 Å²	57.4	74%	0.736	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	143.6	175.6	-74.2	177.6	170.7	166	-10.6	109.6	K45	K45-R416 VanDerWaalsContact CE-NH2 3.33Å
417	D	60.6	Low	74.9	Confident	156 Å²	156	57.4 Å²	57.4	83%	0.834	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	30.5	175.3	-55.1	-36.2	0	0	0	116.9
418	T	72.8	Confident	75.7	Confident	27 Å²	27	58 Å²	58	17%	0.166	27%	0.271	C	S	.	.			trans	-81.9	151.4	171.9	55.9	0	0	0	0	112.3	K415 V420	K415-T418 HydrophobicContact CB-CG2 4.12Å; T418-V420 VanDerWaalsContact C-N 3.25Å; T418-V420 PolarHBondContact O-N 3.44Å; T418-V420 PolarHBondContact OG1-O 2.84Å
419	M	82.4	Confident	76.3	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	-56.5	-37.8	172.6	-177.7	-170.1	70.8	0	0	113.2	M360 N361 M365 Y370 V375 I406 E409	M360-M419 WeakPolarHBondContact CA-O 3.38Å; M360-M419 HydrophobicContact SD-CE 4.4Å; N361-M419 PolarHBondContact N-O 2.99Å; M365-M419 HydrophobicContact CB-CG 4.23Å; M365-M419 HydrophobicContact CB-SD 4.36Å; M365-M419 HydrophobicContact CG-CG 3.33Å; M365-M419 HydrophobicContact CG-SD 3.59Å; M365-M419 VanDerWaalsContact CG-SD 3.59Å; Y370-M419 HydrophobicContact CD2-SD 3.56Å; Y370-M419 VanDerWaalsContact CD2-SD 3.56Å; Y370-M419 HydrophobicContact CE2-SD 4.29Å; Y370-M419 HydrophobicContact CG-SD 3.98Å; V375-M419 HydrophobicContact CG2-CE 4.46Å; I406-M419 HydrophobicContact CG1-CE 4.41Å; I406-M419 HydrophobicContact CG2-CE 4.18Å; E409-M419 VanDerWaalsContact CD-CB 3.42Å; E409-M419 WeakPolarHBondContact OE1-CB 3.39Å; E409-M419 PolarHBondContact OE1-N 2.81Å; E409-M419 WeakPolarHBondContact OE2-CB 3.33Å; E409-M419 WeakPolarHBondContact OE2-CE 3.29Å
420	V	83.6	Confident	76.7	Confident	1 Å²	1	52 Å²	52	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.9	-178.9	-177.4	0	0	0	0	109.4	L358 E409 I410 R413 T418	L358-V420 HydrophobicContact CD2-CG1 4.21Å; E409-V420 HydrophobicContact CB-CG2 4.44Å; I410-V420 HydrophobicContact CG1-CG2 3.78Å; R413-V420 HydrophobicContact CB-CG1 4.48Å; T418-V420 VanDerWaalsContact C-N 3.25Å; T418-V420 PolarHBondContact O-N 3.44Å; T418-V420 PolarHBondContact OG1-O 2.84Å
421	E	83.9	Confident	76.6	Confident	58 Å²	58	53.6 Å²	53.6	27%	0.271	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-29.9	-179	-63.4	-175.1	126.8	0	0	113	R284 F285 S290 V359 N361	R284-E421 PolarHBondContact NH2-O 2.81Å; F285-E421 HydrophobicContact CE1-CB 3.65Å; F285-E421 HydrophobicContact CE1-CG 4.4Å; F285-E421 WeakPolarHBondContact CE1-OE2 3.18Å; F285-E421 HydrophobicContact CZ-CB 3.81Å; S290-E421 WeakPolarHBondContact CB-OE2 3.35Å; S290-E421 PolarHBondContact OG-OE2 3.41Å; V359-E421 PolarHBondContact O-N 2.91Å; N361-E421 HydrophobicContact CB-CG 3.8Å; N361-E421 PolarHBondContact ND2-OE1 2.87Å
422	D	85.3	Confident	76.4	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	157.8	172.5	-146.7	-10.5	0	0	0	112.7	R281 R284 F285 V359 V424	R281-D422 IonicContact CZ-OD1 3.94Å; R281-D422 IonicContact CZ-OD2 3.12Å; R281-D422 IonicContact NE-OD2 3.71Å; R281-D422 IonicContact NH2-OD1 3.16Å; R281-D422 PolarHBondContact NH2-OD1 2.77Å; R281-D422 IonicContact NH2-OD2 3.13Å; R281-D422 PolarHBondContact NH2-OD2 2.59Å; R284-D422 IonicContact CZ-OD2 3.57Å; R284-D422 VanDerWaalsContact CZ-OD2 3.23Å; R284-D422 IonicContact NE-OD2 3.32Å; R284-D422 IonicContact NH1-OD2 3.73Å; R284-D422 VanDerWaalsContact NH2-CB 3.3Å; R284-D422 VanDerWaalsContact NH2-CG 3.26Å; R284-D422 IonicContact NH2-OD2 2.74Å; R284-D422 PolarHBondContact NH2-OD2 3.33Å; R284-D422 VanDerWaalsContact NH2-OD2 3.12Å; F285-D422 HydrophobicContact CE2-CB 3.75Å; F285-D422 HydrophobicContact CZ-CB 3.71Å; V359-D422 HydrophobicContact CB-CB 4.32Å; V359-D422 HydrophobicContact CG2-CB 4.32Å; V359-D422 PolarHBondContact N-O 3.21Å; V359-D422 PolarHBondContact O-N 3.49Å; D422-V424 HydrophobicContact CB-CG2 4.17Å
423	L	85.3	Confident	76.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.3	162.1	175.6	68.1	0	0	0	108	R281 Y356 L358 R413 V425 L443	R281-L423 PolarHBondContact NH2-O 3.5Å; Y356-L423 HydrophobicContact CD2-CD1 3.65Å; Y356-L423 HydrophobicContact CG-CD1 4.16Å; L358-L423 HydrophobicContact CD2-CB 4.29Å; L358-L423 HydrophobicContact CD2-CD1 3.57Å; L358-L423 HydrophobicContact CD2-CG 4.46Å; L358-L423 HydrophobicContact CG-CD1 4.06Å; R413-L423 VanDerWaalsContact NH1-CD2 3.28Å; L423-V425 HydrophobicContact CD1-CG2 4.42Å; L423-V425 HydrophobicContact CD2-CG2 4.4Å; L423-V425 HydrophobicContact CG-CG2 4.04Å; L423-L443 HydrophobicContact CD1-CD2 4.17Å; L423-L443 HydrophobicContact CD2-CD2 4.07Å
424	V	86.6	Confident	76.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.2	-179.1	-169.2	0	0	0	0	109.5	Y278 R281 T282 Y356 T357 D422	Y278-V424 HydrophobicContact CD2-CG1 3.49Å; Y278-V424 VanDerWaalsContact CD2-CG1 3.49Å; Y278-V424 HydrophobicContact CE2-CB 4.37Å; Y278-V424 HydrophobicContact CE2-CG1 3.63Å; Y278-V424 HydrophobicContact CG-CG1 4.46Å; R281-V424 HydrophobicContact CB-CG1 4Å; R281-V424 HydrophobicContact CB-CG2 4.09Å; T282-V424 HydrophobicContact CG2-CB 4.31Å; T282-V424 HydrophobicContact CG2-CG1 4.07Å; T282-V424 HydrophobicContact CG2-CG2 4.24Å; Y356-V424 CarbonylContact C-O 3.51Å; Y356-V424 VanDerWaalsContact CA-O 3.29Å; Y356-V424 WeakPolarHBondContact CA-O 3.35Å; T357-V424 PolarHBondContact N-O 3.12Å; T357-V424 PolarHBondContact O-N 3.42Å; D422-V424 HydrophobicContact CB-CG2 4.17Å
425	V	85.9	Confident	76.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.6	-176.9	-171.6	0	0	0	0	111.6	Y354 E355 L423 V427 A439 Y440	Y354-V425 HydrophobicContact CE1-CG1 4.18Å; E355-V425 CarbonylContact O-C 3.59Å; E355-V425 WeakPolarHBondContact O-CA 2.98Å; E355-V425 WeakPolarHBondContact O-CG1 3.5Å; L423-V425 HydrophobicContact CD1-CG2 4.42Å; L423-V425 HydrophobicContact CD2-CG2 4.4Å; L423-V425 HydrophobicContact CG-CG2 4.04Å; V425-V427 HydrophobicContact CG1-CG2 4Å; V425-A439 HydrophobicContact CG1-CB 4.09Å; V425-A439 WeakPolarHBondContact CG2-O 3.21Å; V425-Y440 HydrophobicContact CB-CD1 4.14Å; V425-Y440 HydrophobicContact CB-CE1 3.96Å; V425-Y440 WeakPolarHBondContact O-CE1 3.35Å; V425-Y440 PolarHBondContact O-OH 3.22Å
426	L	86.5	Confident	77.2	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.1	174.5	-178.5	63.4	0	0	0	108.7	I268 R274 Y278 E355	I268-L426 HydrophobicContact CD1-CD2 3.71Å; I268-L426 HydrophobicContact CG1-CD2 3.93Å; R274-L426 HydrophobicContact CG-CD1 3.81Å; Y278-L426 HydrophobicContact CD1-CD2 4.42Å; Y278-L426 HydrophobicContact CD2-CB 3.75Å; Y278-L426 HydrophobicContact CD2-CD2 4.34Å; Y278-L426 HydrophobicContact CD2-CG 4.48Å; Y278-L426 HydrophobicContact CE2-CB 3.86Å; Y278-L426 HydrophobicContact CG-CB 4.44Å; Y278-L426 HydrophobicContact CG-CD2 4.28Å; E355-L426 HydrophobicContact CB-CB 4.46Å; E355-L426 PolarHBondContact N-O 3.14Å; E355-L426 PolarHBondContact O-N 3.36Å
427	V	86.4	Confident	77.9	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.6	175.7	-170.7	0	0	0	0	108.6	R274 I353 Y354 V425 A439	R274-V427 PolarHBondContact NE-O 3Å; R274-V427 PolarHBondContact NH1-O 3.26Å; R274-V427 PolarHBondContact NH2-O 3.23Å; I353-V427 CarbonylContact O-C 3.58Å; I353-V427 WeakPolarHBondContact O-CA 3.3Å; Y354-V427 HydrophobicContact CD2-CG1 4.14Å; Y354-V427 HydrophobicContact CD2-CG2 3.63Å; Y354-V427 HydrophobicContact CE2-CG2 3.67Å; Y354-V427 HydrophobicContact CG-CG2 4.37Å; V425-V427 HydrophobicContact CG1-CG2 4Å; V427-A439 HydrophobicContact CG2-CB 4.31Å
428	R	86.8	Confident	78.3	Confident	52 Å²	52	33.5 Å²	33.5	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.3	172.8	-66.7	178.6	-86.6	174.7	-6.5	107.5	L266 G352 I353 E355 A461	L266-R428 PolarHBondContact O-NH1 2.77Å; G352-R428 CarbonylContact C-O 3.5Å; G352-R428 WeakPolarHBondContact CA-O 3.46Å; I353-R428 HydrophobicContact CB-CB 4.26Å; I353-R428 PolarHBondContact N-O 2.84Å; I353-R428 PolarHBondContact O-N 3.36Å; E355-R428 VanDerWaalsContact CD-NH2 3.3Å; E355-R428 IonicContact OE1-NH2 2.9Å; E355-R428 PolarHBondContact OE1-NH2 2.88Å; E355-R428 IonicContact OE2-CZ 3.41Å; E355-R428 IonicContact OE2-NE 3.27Å; E355-R428 IonicContact OE2-NH2 2.81Å; E355-R428 PolarHBondContact OE2-NH2 3.49Å; R428-A461 HydrophobicContact CB-CB 4.36Å
429	G	86.1	Confident	78.2	Confident	11 Å²	11	32.2 Å²	32.2	11%	0.113	17%	0.174	C	C	.	.	S	Bend	trans	76.9	146.5	-173	0	0	0	0	0	112.7	A431 W452	G429-A431 PolarHBondContact O-N 3.41Å; G429-A431 VanDerWaalsContact O-N 3.15Å; G429-W452 PolarHBondContact O-NE1 3.35Å; G429-W452 VanDerWaalsContact O-NE1 3.07Å
430	G	81.4	Confident	77.5	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	63.6	18.2	177.8	0	0	0	0	0	115.3	S432 I435 A455 N459	G430-S432 PolarHBondContact O-N 2.99Å; G430-I435 VanDerWaalsContact O-CD1 3.25Å; G430-I435 WeakPolarHBondContact O-CD1 3.49Å; G430-A455 VanDerWaalsContact CA-C 3.48Å; G430-A455 WeakPolarHBondContact O-CB 3.47Å; G430-N459 PolarHBondContact N-O 3.08Å
431	A	68.6	Low	76.7	Confident	43 Å²	43	40.5 Å²	40.5	36%	0.355	21%	0.21	S	C	.	.			trans	-78.3	96.4	-174.6	0	0	0	0	0	111.3	G429 T436	G429-A431 PolarHBondContact O-N 3.41Å; G429-A431 VanDerWaalsContact O-N 3.15Å; A431-T436 HydrophobicContact CB-CG2 3.98Å
432	S	65.4	Low	75.9	Confident	49 Å²	49	43.6 Å²	43.6	34%	0.343	23%	0.225	S	C	.	.			trans	-86.1	156.4	156.9	70.8	0	0	0	0	110	G430 H434 I435 T436	G430-S432 PolarHBondContact O-N 2.99Å; S432-H434 PolarHBondContact O-N 3.42Å; S432-I435 PolarHBondContact O-N 2.88Å; S432-I435 WeakPolarHBondContact OG-CD1 3.39Å; S432-I435 WeakPolarHBondContact OG-CG1 3.32Å; S432-I435 PolarHBondContact OG-N 3.33Å; S432-I435 VanDerWaalsContact OG-N 3.11Å; S432-T436 WeakPolarHBondContact O-CG2 3.44Å; S432-T436 PolarHBondContact O-N 2.82Å; S432-T436 PolarHBondContact O-OG1 3.17Å
433	E	68	Low	75.1	Confident	175 Å²	175	44.5 Å²	44.5	82%	0.818	23%	0.229	S	C	*	.	H	α-helix	trans	-56.1	-32	172.7	-69.8	-172.7	166.8	0	0	111.5	T436 T437	E433-T436 WeakPolarHBondContact CA-OG1 3.14Å; E433-T436 PolarHBondContact O-OG1 2.77Å; E433-T437 WeakPolarHBondContact O-CB 3.31Å; E433-T437 PolarHBondContact O-N 2.92Å; E433-T437 PolarHBondContact O-OG1 3.15Å
434	H	68.9	Low	74.5	Confident	100 Å²	100	45.1 Å²	45.1	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-65.7	-55.4	176.9	-174.2	66.5	0	0	0	112.7	S432 T436 T437 L438 E451	S432-H434 PolarHBondContact O-N 3.42Å; H434-T436 VanDerWaalsContact C-N 3.27Å; H434-T436 PolarHBondContact O-N 2.92Å; H434-T437 PolarHBondContact O-N 3.2Å; H434-T437 VanDerWaalsContact O-N 3.14Å; H434-L438 VanDerWaalsContact NE2-CD1 3.34Å; H434-L438 WeakPolarHBondContact NE2-CD1 3.17Å; H434-L438 PolarHBondContact O-N 3.37Å; H434-E451 IonicContact CD2-OE1 3.86Å; H434-E451 PolarHBondContact CD2-OE1 2.84Å; H434-E451 VanDerWaalsContact CD2-OE1 3.23Å; H434-E451 IonicContact CD2-OE2 2.62Å; H434-E451 IonicContact NE2-OE1 3.26Å; H434-E451 IonicContact NE2-OE2 3.06Å
435	I	73.1	Confident	73.9	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-40.7	-179.1	-68.8	161.5	0	0	0	110.3	G430 S432 A439 L448 E451 W452 A455	G430-I435 VanDerWaalsContact O-CD1 3.25Å; G430-I435 WeakPolarHBondContact O-CD1 3.49Å; S432-I435 PolarHBondContact O-N 2.88Å; S432-I435 WeakPolarHBondContact OG-CD1 3.39Å; S432-I435 WeakPolarHBondContact OG-CG1 3.32Å; S432-I435 PolarHBondContact OG-N 3.33Å; S432-I435 VanDerWaalsContact OG-N 3.11Å; I435-A439 WeakPolarHBondContact O-CB 3.42Å; I435-A439 PolarHBondContact O-N 3.45Å; I435-L448 HydrophobicContact CG2-CD1 4.41Å; I435-E451 HydrophobicContact CD1-CG 4.43Å; I435-E451 HydrophobicContact CG1-CG 4.39Å; I435-W452 HydrophobicContact CG2-CB 4.17Å; I435-W452 HydrophobicContact CG2-CG 4.46Å; I435-A455 HydrophobicContact CD1-CB 3.48Å; I435-A455 VanDerWaalsContact CD1-CB 3.48Å
436	T	68.6	Low	73.4	Confident	28 Å²	28	49.1 Å²	49.1	17%	0.172	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-38.1	178.6	54	0	0	0	0	112.5	A431 S432 E433 H434 Y440	A431-T436 HydrophobicContact CB-CG2 3.98Å; S432-T436 WeakPolarHBondContact O-CG2 3.44Å; S432-T436 PolarHBondContact O-N 2.82Å; S432-T436 PolarHBondContact O-OG1 3.17Å; E433-T436 WeakPolarHBondContact CA-OG1 3.14Å; E433-T436 PolarHBondContact O-OG1 2.77Å; H434-T436 VanDerWaalsContact C-N 3.27Å; H434-T436 PolarHBondContact O-N 2.92Å; T436-Y440 WeakPolarHBondContact O-CD2 3.2Å; T436-Y440 PolarHBondContact O-N 2.92Å
437	T	68.7	Low	73	Confident	71 Å²	71	54.5 Å²	54.5	44%	0.436	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-48.1	177.1	-59.1	0	0	0	0	111.5	E433 H434 A439 Y440 Q441	E433-T437 WeakPolarHBondContact O-CB 3.31Å; E433-T437 PolarHBondContact O-N 2.92Å; E433-T437 PolarHBondContact O-OG1 3.15Å; H434-T437 PolarHBondContact O-N 3.2Å; H434-T437 VanDerWaalsContact O-N 3.14Å; T437-A439 PolarHBondContact O-N 2.99Å; T437-Y440 PolarHBondContact O-N 3.32Å; T437-Q441 WeakPolarHBondContact O-CG 3.48Å; T437-Q441 PolarHBondContact O-N 3.5Å
438	L	69.4	Low	72.8	Confident	58 Å²	58	54.9 Å²	54.9	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-43	178.3	-70.5	178.5	0	0	0	111.8	H434 Y440 Q441 E442 L448	H434-L438 VanDerWaalsContact NE2-CD1 3.34Å; H434-L438 WeakPolarHBondContact NE2-CD1 3.17Å; H434-L438 PolarHBondContact O-N 3.37Å; L438-Y440 PolarHBondContact O-N 3.07Å; L438-Q441 PolarHBondContact O-N 2.96Å; L438-E442 PolarHBondContact O-N 2.92Å; L438-E442 VanDerWaalsContact O-N 3.12Å; L438-L448 HydrophobicContact CB-CD1 3.83Å; L438-L448 HydrophobicContact CB-CD2 4.28Å; L438-L448 HydrophobicContact CD1-CD1 3.93Å
439	A	71.6	Confident	72.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-28.3	177.2	0	0	0	0	0	113.2	Y354 V425 V427 I435 T437	Y354-A439 HydrophobicContact CE2-CB 3.96Å; Y354-A439 WeakPolarHBondContact OH-CB 3.31Å; V425-A439 HydrophobicContact CG1-CB 4.09Å; V425-A439 WeakPolarHBondContact CG2-O 3.21Å; V427-A439 HydrophobicContact CG2-CB 4.31Å; I435-A439 WeakPolarHBondContact O-CB 3.42Å; I435-A439 PolarHBondContact O-N 3.45Å; T437-A439 PolarHBondContact O-N 2.99Å
440	Y	68.3	Low	72.4	Confident	63 Å²	63	57 Å²	57	25%	0.247	30%	0.3	C	S	.	.	H	α-helix	trans	-85.9	-19.9	176	-77.8	-57.9	0	0	0	114	R413 V425 T436 T437 L438	R413-Y440 PolarHBondContact NH2-O 3.25Å; V425-Y440 HydrophobicContact CB-CD1 4.14Å; V425-Y440 HydrophobicContact CB-CE1 3.96Å; V425-Y440 WeakPolarHBondContact O-CE1 3.35Å; V425-Y440 PolarHBondContact O-OH 3.22Å; T436-Y440 WeakPolarHBondContact O-CD2 3.2Å; T436-Y440 PolarHBondContact O-N 2.92Å; T437-Y440 PolarHBondContact O-N 3.32Å; L438-Y440 PolarHBondContact O-N 3.07Å
441	Q	66.3	Low	72.6	Confident	114 Å²	114	60.6 Å²	60.6	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-86.9	-48.2	-177.9	-71.3	-180	5.9	0	0	111.2	R413 T437 L438	R413-Q441 VanDerWaalsContact CZ-O 3.28Å; R413-Q441 PolarHBondContact NH1-O 2.97Å; R413-Q441 PolarHBondContact NH2-O 2.71Å; T437-Q441 WeakPolarHBondContact O-CG 3.48Å; T437-Q441 PolarHBondContact O-N 3.5Å; L438-Q441 PolarHBondContact O-N 2.96Å
442	E	66.5	Low	73.5	Confident	123 Å²	123	58.5 Å²	58.5	58%	0.575	30%	0.299	S	S	*	.	S	Bend	trans	-126.3	167.8	-169.8	-59.6	-167.8	163.2	0	0	112.6	L438	L438-E442 PolarHBondContact O-N 2.92Å; L438-E442 VanDerWaalsContact O-N 3.12Å
443	L	68.4	Low	74.5	Confident	32 Å²	32	56.5 Å²	56.5	17%	0.168	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66	150.9	167.4	-76.5	175.8	0	0	0	109.7	Y356 F383 L407 I410 L423 T445	Y356-L443 HydrophobicContact CE2-CD2 4.42Å; F383-L443 HydrophobicContact CE1-CB 4.21Å; F383-L443 HydrophobicContact CE1-CD1 4.39Å; F383-L443 HydrophobicContact CE1-CD2 4.4Å; F383-L443 HydrophobicContact CZ-CD1 4.04Å; F383-L443 HydrophobicContact CZ-CD2 4.02Å; F383-L443 HydrophobicContact CZ-CG 4.44Å; L407-L443 HydrophobicContact CD2-CD1 4.26Å; I410-L443 HydrophobicContact CB-CD1 4.25Å; I410-L443 HydrophobicContact CD1-CD1 3.95Å; I410-L443 HydrophobicContact CG2-CD1 3.66Å; I410-L443 HydrophobicContact CG2-CD2 4.01Å; I410-L443 HydrophobicContact CG2-CG 3.7Å; L423-L443 HydrophobicContact CD1-CD2 4.17Å; L423-L443 HydrophobicContact CD2-CD2 4.07Å; L443-T445 PolarHBondContact O-N 3.33Å
444	P	72.7	Confident	75.4	Confident	13 Å²	13	53.4 Å²	53.4	8%	0.084	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.5	122.1	-178.4	24	-32	0	0	0	111.7	F229 Y354 Y356 F383 M449	F229-P444 HydrophobicContact CE2-CG 4.36Å; F229-P444 HydrophobicContact CZ-CB 4.3Å; F229-P444 HydrophobicContact CZ-CG 3.97Å; Y354-P444 HydrophobicContact CE1-CB 3.89Å; Y354-P444 HydrophobicContact CE1-CG 3.99Å; Y356-P444 HydrophobicContact CD1-CG 4Å; Y356-P444 HydrophobicContact CE1-CG 3.67Å; F383-P444 HydrophobicContact CD1-CG 4.13Å; F383-P444 HydrophobicContact CE1-CG 3.96Å; P444-M449 HydrophobicContact CB-CG 4.19Å; P444-M449 HydrophobicContact CB-SD 3.92Å
445	T	73.4	Confident	76.3	Confident	67 Å²	67	49.8 Å²	49.8	41%	0.411	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-92.8	162.8	172.5	60.8	0	0	0	0	111	L443 D447 L448 M449	L443-T445 PolarHBondContact O-N 3.33Å; T445-D447 VanDerWaalsContact C-N 3.3Å; T445-D447 PolarHBondContact O-N 3.49Å; T445-L448 PolarHBondContact O-N 2.85Å; T445-L448 WeakPolarHBondContact OG1-CB 3.01Å; T445-L448 PolarHBondContact OG1-N 3.5Å; T445-M449 WeakPolarHBondContact O-CG 3.49Å; T445-M449 PolarHBondContact O-N 3.23Å
446	A	75.6	Confident	77.2	Confident	21 Å²	21	49.7 Å²	49.7	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-44.1	176.9	0	0	0	0	0	112.1	I385 M449 Q450	I385-A446 HydrophobicContact CG2-CB 3.95Å; A446-M449 PolarHBondContact O-N 3.29Å; A446-Q450 WeakPolarHBondContact O-CG 3.19Å; A446-Q450 PolarHBondContact O-N 3.4Å
447	D	78.4	Confident	78.1	Confident	119 Å²	119	50.1 Å²	50.1	64%	0.636	26%	0.263	S	S	*	.	H	α-helix	trans	-64.3	-43.8	-179.6	-56.1	-27.3	0	0	0	111.3	T445 M449 Q450 E451	T445-D447 VanDerWaalsContact C-N 3.3Å; T445-D447 PolarHBondContact O-N 3.49Å; D447-M449 VanDerWaalsContact C-N 3.31Å; D447-M449 PolarHBondContact O-N 2.89Å; D447-Q450 PolarHBondContact O-N 3.11Å; D447-E451 PolarHBondContact O-N 3.36Å
448	L	81.8	Confident	78.9	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-39.7	176.3	179.8	64.2	0	0	0	111.7	I435 L438 T445 E451 W452	I435-L448 HydrophobicContact CG2-CD1 4.41Å; L438-L448 HydrophobicContact CB-CD1 3.83Å; L438-L448 HydrophobicContact CB-CD2 4.28Å; L438-L448 HydrophobicContact CD1-CD1 3.93Å; T445-L448 PolarHBondContact O-N 2.85Å; T445-L448 WeakPolarHBondContact OG1-CB 3.01Å; T445-L448 PolarHBondContact OG1-N 3.5Å; L448-E451 PolarHBondContact O-N 2.6Å; L448-W452 VanDerWaalsContact O-CB 3.29Å; L448-W452 WeakPolarHBondContact O-CB 3.49Å; L448-W452 PolarHBondContact O-N 2.64Å
449	M	82.8	Confident	79.9	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-35.4	178.6	-70.1	-57.4	-58.4	0	0	112.1	Y227 F229 Y354 P444 T445 A446 D447 W452 G453	Y227-M449 HydrophobicContact CD1-CB 4.12Å; Y227-M449 HydrophobicContact CD1-CE 3.8Å; Y227-M449 HydrophobicContact CE1-CB 4.47Å; Y227-M449 VanDerWaalsContact CE1-O 3.27Å; Y227-M449 WeakPolarHBondContact CE1-O 3.46Å; Y227-M449 HydrophobicContact CG-CB 4.28Å; F229-M449 HydrophobicContact CE2-CE 4.17Å; F229-M449 HydrophobicContact CE2-SD 4.23Å; F229-M449 HydrophobicContact CZ-CE 3.98Å; F229-M449 HydrophobicContact CZ-SD 3.93Å; Y354-M449 HydrophobicContact CD1-SD 4.36Å; Y354-M449 HydrophobicContact CD2-SD 4.14Å; Y354-M449 HydrophobicContact CE2-SD 4.4Å; Y354-M449 HydrophobicContact CG-CE 4.39Å; Y354-M449 HydrophobicContact CG-SD 4.12Å; P444-M449 HydrophobicContact CB-CG 4.19Å; P444-M449 HydrophobicContact CB-SD 3.92Å; T445-M449 WeakPolarHBondContact O-CG 3.49Å; T445-M449 PolarHBondContact O-N 3.23Å; A446-M449 PolarHBondContact O-N 3.29Å; D447-M449 VanDerWaalsContact C-N 3.31Å; D447-M449 PolarHBondContact O-N 2.89Å; M449-W452 HydrophobicContact CE-CE3 3.53Å; M449-W452 HydrophobicContact CE-CZ3 3.61Å; M449-W452 HydrophobicContact SD-CE3 4.48Å; M449-G453 PolarHBondContact O-N 2.95Å
450	Q	83.3	Confident	80.8	Confident	100 Å²	100	56.2 Å²	56.2	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-48.5	172.9	-72.3	178.9	0.4	0	0	111.3	Y227 A446 D447 W452 G453 D454	Y227-Q450 HydrophobicContact CE2-CG 4.4Å; A446-Q450 WeakPolarHBondContact O-CG 3.19Å; A446-Q450 PolarHBondContact O-N 3.4Å; D447-Q450 PolarHBondContact O-N 3.11Å; Q450-W452 VanDerWaalsContact C-N 3.3Å; Q450-W452 PolarHBondContact O-N 2.9Å; Q450-G453 PolarHBondContact O-N 2.96Å; Q450-D454 PolarHBondContact O-N 3.48Å
451	E	84.9	Confident	81.8	Confident	76 Å²	76	54.4 Å²	54.4	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-41.2	177.7	-170.2	-176.3	-176.1	0	0	111.6	H434 I435 D447 L448 D454 A455	H434-E451 IonicContact CD2-OE1 3.86Å; H434-E451 PolarHBondContact CD2-OE1 2.84Å; H434-E451 VanDerWaalsContact CD2-OE1 3.23Å; H434-E451 IonicContact CD2-OE2 2.62Å; H434-E451 IonicContact NE2-OE1 3.26Å; H434-E451 IonicContact NE2-OE2 3.06Å; I435-E451 HydrophobicContact CD1-CG 4.43Å; I435-E451 HydrophobicContact CG1-CG 4.39Å; D447-E451 PolarHBondContact O-N 3.36Å; L448-E451 PolarHBondContact O-N 2.6Å; E451-D454 PolarHBondContact O-N 3.37Å; E451-A455 WeakPolarHBondContact O-CB 3.45Å; E451-A455 PolarHBondContact O-N 2.97Å
452	W	87.8	Confident	83	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-44.7	172.3	172.4	67.4	0	0	0	112	Y227 L299 G352 Y354 G429 I435 L448 M449 Q450 D454 A455 V456	Y227-W452 HydrophobicContact CD1-CZ3 4.41Å; Y227-W452 HydrophobicContact CE1-CE3 4.3Å; Y227-W452 HydrophobicContact CE1-CZ3 4.37Å; L299-W452 HydrophobicContact CB-CH2 3.63Å; L299-W452 HydrophobicContact CB-CZ3 3.75Å; L299-W452 HydrophobicContact CD2-CE3 4.39Å; L299-W452 HydrophobicContact CD2-CH2 4.43Å; L299-W452 HydrophobicContact CD2-CZ3 4.04Å; G352-W452 VanDerWaalsContact C-CZ2 3.42Å; Y354-W452 HydrophobicContact CD2-CD2 4.42Å; G429-W452 PolarHBondContact O-NE1 3.35Å; G429-W452 VanDerWaalsContact O-NE1 3.07Å; I435-W452 HydrophobicContact CG2-CB 4.17Å; I435-W452 HydrophobicContact CG2-CG 4.46Å; L448-W452 VanDerWaalsContact O-CB 3.29Å; L448-W452 WeakPolarHBondContact O-CB 3.49Å; L448-W452 PolarHBondContact O-N 2.64Å; M449-W452 HydrophobicContact CE-CE3 3.53Å; M449-W452 HydrophobicContact CE-CZ3 3.61Å; M449-W452 HydrophobicContact SD-CE3 4.48Å; Q450-W452 VanDerWaalsContact C-N 3.3Å; Q450-W452 PolarHBondContact O-N 2.9Å; W452-D454 VanDerWaalsContact C-N 3.34Å; W452-D454 PolarHBondContact O-N 2.78Å; W452-A455 PolarHBondContact O-N 2.84Å; W452-A455 VanDerWaalsContact O-N 3.15Å; W452-V456 HydrophobicContact CD2-CG2 3.93Å; W452-V456 VanDerWaalsContact CE2-CG2 3.41Å; W452-V456 HydrophobicContact CG-CG2 4.24Å; W452-V456 HydrophobicContact CH2-CG2 4.49Å; W452-V456 HydrophobicContact CZ2-CG2 3.76Å; W452-V456 VanDerWaalsContact NE1-CG2 3.33Å; W452-V456 VanDerWaalsContact O-CG2 3.24Å; W452-V456 WeakPolarHBondContact O-CG2 3.32Å; W452-V456 PolarHBondContact O-N 3.44Å
453	G	87.2	Confident	84	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-43.7	178.6	0	0	0	0	0	112.9	L299 M449 Q450 A455 V456 Q457	L299-G453 VanDerWaalsContact CD2-CA 3.46Å; M449-G453 PolarHBondContact O-N 2.95Å; Q450-G453 PolarHBondContact O-N 2.96Å; G453-A455 VanDerWaalsContact C-N 3.34Å; G453-A455 PolarHBondContact O-N 3.3Å; G453-V456 PolarHBondContact O-N 2.01Å; G453-Q457 PolarHBondContact O-N 2.8Å
454	D	85.8	Confident	85	Confident	109 Å²	109	45.5 Å²	45.5	58%	0.583	24%	0.239	S	C	*	.	H	α-helix	trans	-62.3	-42.1	174.5	-71	-17.7	0	0	0	111.2	Q450 E451 W452 V456 Q457 Y458	Q450-D454 PolarHBondContact O-N 3.48Å; E451-D454 PolarHBondContact O-N 3.37Å; W452-D454 VanDerWaalsContact C-N 3.34Å; W452-D454 PolarHBondContact O-N 2.78Å; D454-V456 PolarHBondContact O-N 2.83Å; D454-Q457 WeakPolarHBondContact O-CB 2.91Å; D454-Q457 PolarHBondContact O-N 3.34Å; D454-Y458 WeakPolarHBondContact O-CD2 3.1Å
455	A	88.9	Confident	85.9	Confident	25 Å²	25	44.9 Å²	44.9	21%	0.207	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-37.5	177.4	0	0	0	0	0	113	G430 I435 E451 W452 G453 Q457 Y458 N459	G430-A455 VanDerWaalsContact CA-C 3.48Å; G430-A455 WeakPolarHBondContact O-CB 3.47Å; I435-A455 HydrophobicContact CD1-CB 3.48Å; I435-A455 VanDerWaalsContact CD1-CB 3.48Å; E451-A455 WeakPolarHBondContact O-CB 3.45Å; E451-A455 PolarHBondContact O-N 2.97Å; W452-A455 PolarHBondContact O-N 2.84Å; W452-A455 VanDerWaalsContact O-N 3.15Å; G453-A455 VanDerWaalsContact C-N 3.34Å; G453-A455 PolarHBondContact O-N 3.3Å; A455-Q457 PolarHBondContact O-N 2.02Å; A455-Y458 PolarHBondContact O-N 3.28Å; A455-N459 PolarHBondContact O-N 2.9Å
456	V	90.1	Very high	86.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-33.7	176.6	173.2	0	0	0	0	110.9	L299 V301 W452 G453 D454 Y458 N459 P460	L299-V456 HydrophobicContact CD2-CB 4.01Å; L299-V456 HydrophobicContact CD2-CG1 4.11Å; L299-V456 HydrophobicContact CD2-CG2 4.32Å; V301-V456 HydrophobicContact CG2-CG1 3.7Å; W452-V456 HydrophobicContact CD2-CG2 3.93Å; W452-V456 VanDerWaalsContact CE2-CG2 3.41Å; W452-V456 HydrophobicContact CG-CG2 4.24Å; W452-V456 HydrophobicContact CH2-CG2 4.49Å; W452-V456 HydrophobicContact CZ2-CG2 3.76Å; W452-V456 VanDerWaalsContact NE1-CG2 3.33Å; W452-V456 VanDerWaalsContact O-CG2 3.24Å; W452-V456 WeakPolarHBondContact O-CG2 3.32Å; W452-V456 PolarHBondContact O-N 3.44Å; G453-V456 PolarHBondContact O-N 2.01Å; D454-V456 PolarHBondContact O-N 2.83Å; V456-Y458 VanDerWaalsContact C-N 3.28Å; V456-Y458 PolarHBondContact O-N 3.46Å; V456-N459 CarbonylContact O-C 3.56Å; V456-N459 PolarHBondContact O-N 2.81Å; V456-P460 VanDerWaalsContact O-CA 3.28Å; V456-P460 WeakPolarHBondContact O-CA 3.4Å; V456-P460 WeakPolarHBondContact O-CB 3Å; V456-P460 WeakPolarHBondContact O-CD 3.46Å
457	Q	87.7	Confident	87.5	Confident	37 Å²	37	44.2 Å²	44.2	17%	0.173	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-39.3	178.7	-175.4	59.3	67.1	0	0	112.7	W170 L206 V301 G453 D454 A455	W170-Q457 HydrophobicContact CZ3-CG 4Å; L206-Q457 HydrophobicContact CD1-CG 3.62Å; V301-Q457 VanDerWaalsContact CG1-CD 3.5Å; V301-Q457 VanDerWaalsContact CG1-OE1 3.3Å; G453-Q457 PolarHBondContact O-N 2.8Å; D454-Q457 WeakPolarHBondContact O-CB 2.91Å; D454-Q457 PolarHBondContact O-N 3.34Å; A455-Q457 PolarHBondContact O-N 2.02Å
458	Y	86.4	Confident	88.2	Confident	147 Å²	147	40.5 Å²	40.5	58%	0.576	20%	0.201	S	C	*	.	H	α-helix	trans	-90.8	-28.7	-178.7	-61.8	-78.3	0	0	0	113.6	W170 D454 A455 V456 P460	W170-Y458 HydrophobicContact CD2-CD1 4.38Å; W170-Y458 AromaticContact CE2-CD1 3.9Å; W170-Y458 AromaticContact CH2-CD1 3.85Å; W170-Y458 HydrophobicContact CH2-CD1 3.85Å; W170-Y458 AromaticContact CH2-CE1 3.7Å; W170-Y458 HydrophobicContact CH2-CE1 3.7Å; W170-Y458 AromaticContact CZ2-CD1 3.63Å; W170-Y458 HydrophobicContact CZ2-CD1 3.63Å; W170-Y458 AromaticContact CZ2-CE1 3.67Å; W170-Y458 HydrophobicContact CZ2-CE1 3.67Å; W170-Y458 HydrophobicContact CZ3-CD1 4.33Å; W170-Y458 HydrophobicContact CZ3-CE1 4.47Å; D454-Y458 WeakPolarHBondContact O-CD2 3.1Å; A455-Y458 PolarHBondContact O-N 3.28Å; V456-Y458 VanDerWaalsContact C-N 3.28Å; V456-Y458 PolarHBondContact O-N 3.46Å; Y458-P460 VanDerWaalsContact C-CD 3.5Å
459	N	89.3	Confident	88.8	Confident	99 Å²	99	40 Å²	40	53%	0.529	20%	0.198	S	C	.	.	S	Bend	trans	-130.4	69	178.7	-170.3	13	0	0	0	111.2	G430 A455 V456	G430-N459 PolarHBondContact N-O 3.08Å; A455-N459 PolarHBondContact O-N 2.9Å; V456-N459 CarbonylContact O-C 3.56Å; V456-N459 PolarHBondContact O-N 2.81Å
460	P	91.4	Very high	89.4	Confident	10 Å²	10	39.6 Å²	39.6	7%	0.065	20%	0.197	C	C	.	.			trans	-73.7	144.5	-178.7	30.4	-34.8	0	0	0	110.9	L350 V456 Y458	L350-P460 HydrophobicContact CB-CB 4.06Å; L350-P460 HydrophobicContact CB-CG 4.46Å; L350-P460 HydrophobicContact CD1-CG 4.29Å; V456-P460 VanDerWaalsContact O-CA 3.28Å; V456-P460 WeakPolarHBondContact O-CA 3.4Å; V456-P460 WeakPolarHBondContact O-CB 3Å; V456-P460 WeakPolarHBondContact O-CD 3.46Å; Y458-P460 VanDerWaalsContact C-CD 3.5Å
461	A	90.3	Very high	89.9	Confident	25 Å²	25	35 Å²	35	21%	0.207	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	157.6	166.1	0	0	0	0	0	110.8	L350 G351 R428 I463	L350-A461 WeakPolarHBondContact CA-O 3.31Å; G351-A461 PolarHBondContact N-O 3.43Å; G351-A461 PolarHBondContact O-N 2.95Å; R428-A461 HydrophobicContact CB-CB 4.36Å; A461-I463 PolarHBondContact O-N 3.31Å
462	I	90.8	Very high	90.4	Very high	28 Å²	28	33.9 Å²	33.9	14%	0.144	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.7	170.3	-59.9	164.9	0	0	0	107.8	L175 L186 I345 A348 L350 I465	L175-I462 HydrophobicContact CD2-CD1 4.1Å; L175-I462 HydrophobicContact CD2-CG1 4.09Å; L186-I462 HydrophobicContact CD2-CD1 4.48Å; I345-I462 HydrophobicContact CD1-CD1 3.87Å; A348-I462 HydrophobicContact CB-CG2 4.39Å; L350-I462 HydrophobicContact CD2-CB 4.4Å; L350-I462 HydrophobicContact CD2-CG1 3.7Å; I462-I465 HydrophobicContact CG2-CG2 3.07Å
463	I	87.5	Confident	90.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-39.4	-174.6	59.7	165.5	0	0	0	112.5	E300 V349 I353 A461	E300-I463 HydrophobicContact CG-CD1 4Å; V349-I463 HydrophobicContact CB-CD1 4.37Å; V349-I463 HydrophobicContact CB-CG1 3.94Å; V349-I463 HydrophobicContact CG1-CD1 3.69Å; V349-I463 HydrophobicContact CG1-CG1 3.77Å; V349-I463 WeakPolarHBondContact O-CG1 3.39Å; V349-I463 PolarHBondContact O-N 2.93Å; I353-I463 HydrophobicContact CD1-CB 3.86Å; I353-I463 HydrophobicContact CD1-CG2 3.78Å; I353-I463 HydrophobicContact CG1-CB 4.11Å; I353-I463 HydrophobicContact CG1-CG2 3.62Å; A461-I463 PolarHBondContact O-N 3.31Å
464	K	90.1	Very high	91.1	Very high	52 Å²	52	33.8 Å²	33.8	23%	0.226	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.8	176	-61.8	166.3	-175.6	164.6	0	109.3	I263 F264 E265 E300 A348 V349	I263-K464 HydrophobicContact CG2-CB 3.61Å; I263-K464 HydrophobicContact CG2-CG 4.48Å; F264-K464 CarbonylContact O-C 3.53Å; F264-K464 WeakPolarHBondContact O-CA 3.44Å; E265-K464 HydrophobicContact CG-CG 3.72Å; E300-K464 IonicContact OE1-NZ 3.28Å; E300-K464 PolarHBondContact OE1-NZ 3.18Å; A348-K464 CarbonylContact C-O 3.49Å; A348-K464 VanDerWaalsContact CA-O 3.26Å; A348-K464 WeakPolarHBondContact CA-O 3.47Å; V349-K464 HydrophobicContact CB-CB 3.97Å; V349-K464 HydrophobicContact CB-CD 4.42Å; V349-K464 HydrophobicContact CG2-CB 4Å; V349-K464 HydrophobicContact CG2-CD 4.19Å; V349-K464 PolarHBondContact N-O 2.82Å; V349-K464 PolarHBondContact O-N 3.16Å
465	I	90.9	Very high	91.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.1	-178.3	59.6	178.1	0	0	0	112.7	I179 I263 F264 L266 E347 A348 I462 V467	I179-I465 HydrophobicContact CD1-CD1 3.65Å; I263-I465 CarbonylContact C-O 3.56Å; I263-I465 WeakPolarHBondContact CA-O 3.35Å; F264-I465 HydrophobicContact CD1-CG1 4.49Å; F264-I465 VanDerWaalsContact CD1-O 3.29Å; F264-I465 WeakPolarHBondContact CD1-O 2.99Å; F264-I465 HydrophobicContact CD2-CG1 4.41Å; F264-I465 HydrophobicContact CE1-CG1 4.04Å; F264-I465 HydrophobicContact CE2-CD1 4.03Å; F264-I465 HydrophobicContact CE2-CG1 3.94Å; F264-I465 HydrophobicContact CZ-CD1 3.8Å; F264-I465 HydrophobicContact CZ-CG1 3.74Å; F264-I465 PolarHBondContact N-O 3.41Å; F264-I465 PolarHBondContact O-N 3.43Å; L266-I465 HydrophobicContact CD1-CD1 3.76Å; L266-I465 HydrophobicContact CD2-CD1 3.55Å; L266-I465 HydrophobicContact CG-CD1 3.45Å; L266-I465 VanDerWaalsContact CG-CD1 3.45Å; L266-I465 HydrophobicContact CG-CG1 4.14Å; E347-I465 CarbonylContact O-C 3.59Å; E347-I465 WeakPolarHBondContact O-CA 2.95Å; A348-I465 HydrophobicContact CB-CG2 4.22Å; I462-I465 HydrophobicContact CG2-CG2 3.07Å; I465-V467 HydrophobicContact CB-CG1 4.19Å; I465-V467 HydrophobicContact CD1-CG1 3.39Å; I465-V467 HydrophobicContact CG1-CG1 3.87Å
466	K	92	Very high	91.5	Very high	74 Å²	74	33.3 Å²	33.3	32%	0.322	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.6	159.2	-174.1	177.7	178.2	179	0	107.7	G262 I263 T346 E347	G262-K466 WeakPolarHBondContact O-CG 3.48Å; I263-K466 HydrophobicContact CG1-CB 4.09Å; T346-K466 PolarHBondContact N-O 3.35Å; T346-K466 PolarHBondContact OG1-O 3.28Å; E347-K466 HydrophobicContact CB-CB 3.76Å; E347-K466 HydrophobicContact CB-CD 4.24Å; E347-K466 PolarHBondContact N-O 2.7Å; E347-K466 PolarHBondContact O-N 2.81Å
467	V	91.1	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.3	-174.5	-54	0	0	0	0	111.3	I179 V181 I260 F264 H343 Y344 I465	I179-V467 HydrophobicContact CD1-CG1 4.16Å; V181-V467 HydrophobicContact CG2-CG2 4.31Å; I260-V467 HydrophobicContact CB-CG2 4.37Å; I260-V467 HydrophobicContact CD1-CG2 4.04Å; I260-V467 HydrophobicContact CG1-CG2 4.5Å; F264-V467 HydrophobicContact CE1-CG1 4.19Å; F264-V467 HydrophobicContact CE1-CG2 3.8Å; F264-V467 HydrophobicContact CZ-CG1 4.01Å; F264-V467 HydrophobicContact CZ-CG2 3.84Å; H343-V467 HydrophobicContact CB-CB 3.87Å; H343-V467 HydrophobicContact CB-CG2 4Å; Y344-V467 VanDerWaalsContact O-CA 3.26Å; Y344-V467 WeakPolarHBondContact O-CA 3Å; I465-V467 HydrophobicContact CB-CG1 4.19Å; I465-V467 HydrophobicContact CD1-CG1 3.39Å; I465-V467 HydrophobicContact CG1-CG1 3.87Å
468	E	92.4	Very high	91.5	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.192	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.1	173.6	-163.3	72.6	-159.3	0	0	108.8	K259 H343 Y344 T346 E472	K259-E468 WeakPolarHBondContact CE-OE1 3.15Å; K259-E468 IonicContact NZ-OE1 2.75Å; K259-E468 PolarHBondContact NZ-OE1 2.87Å; H343-E468 CarbonylContact C-O 3.6Å; H343-E468 VanDerWaalsContact CA-O 3.26Å; H343-E468 WeakPolarHBondContact CA-O 3.37Å; H343-E468 WeakPolarHBondContact CB-O 3.3Å; Y344-E468 HydrophobicContact CD1-CB 4.38Å; Y344-E468 WeakPolarHBondContact CD1-O 3.31Å; Y344-E468 HydrophobicContact CE1-CB 3.69Å; Y344-E468 HydrophobicContact CE1-CG 4.17Å; Y344-E468 WeakPolarHBondContact CE1-O 3.17Å; Y344-E468 HydrophobicContact CE2-CB 4.42Å; Y344-E468 PolarHBondContact N-O 2.65Å; Y344-E468 PolarHBondContact O-N 3.44Å; T346-E468 HydrophobicContact CG2-CB 3.8Å; E468-E472 HydrophobicContact CG-CB 4.02Å; E468-E472 HydrophobicContact CG-CG 3.79Å
469	P	93.8	Very high	91.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	144.6	-179	-26.8	36	0	0	0	113.1	F258 K259 Y344 Y471 E472	F258-P469 HydrophobicContact CB-CG 4.41Å; K259-P469 HydrophobicContact CG-CG 4.21Å; Y344-P469 WeakPolarHBondContact CE1-O 3.18Å; P469-Y471 HydrophobicContact CB-CD1 3.7Å; P469-Y471 HydrophobicContact CB-CD2 4.49Å; P469-Y471 HydrophobicContact CB-CE1 3.24Å; P469-Y471 HydrophobicContact CB-CE2 4.08Å; P469-Y471 HydrophobicContact CB-CG 4.31Å; P469-Y471 VanDerWaalsContact CB-CZ 3.45Å; P469-Y471 HydrophobicContact CG-CE1 3.95Å; P469-Y471 PolarHBondContact O-N 3.28Å; P469-Y471 VanDerWaalsContact O-N 3.12Å; P469-E472 WeakPolarHBondContact O-CB 3.21Å; P469-E472 PolarHBondContact O-N 2.73Å
470	L	95.3	Very high	91.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.1	-176.3	-79.7	-178.8	0	0	0	114.5	V190 F317 F337 F340 G341 T342 Y344 E472 L473 M489	V190-L470 HydrophobicContact CB-CD2 4.23Å; V190-L470 HydrophobicContact CG1-CD2 3.84Å; V190-L470 HydrophobicContact CG2-CD2 4.25Å; F317-L470 HydrophobicContact CE2-CD1 4.41Å; F317-L470 HydrophobicContact CZ-CD2 4.44Å; F337-L470 HydrophobicContact CD1-CD1 4.41Å; F340-L470 HydrophobicContact CB-CD1 4.28Å; G341-L470 WeakPolarHBondContact O-CD1 3.47Å; T342-L470 WeakPolarHBondContact O-CG 3.36Å; T342-L470 PolarHBondContact O-N 2.84Å; Y344-L470 HydrophobicContact CD1-CD2 4.32Å; L470-E472 PolarHBondContact O-N 3Å; L470-E472 VanDerWaalsContact O-N 3.07Å; L470-L473 HydrophobicContact CD2-CD1 4.01Å; L470-L473 WeakPolarHBondContact O-CB 3.35Å; L470-L473 PolarHBondContact O-N 3.48Å; L470-M489 HydrophobicContact CB-CE 4.02Å
471	Y	94.5	Very high	91.7	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.8	-16.9	179.1	61.1	-108.3	0	0	0	112.5	G257 P469 L473 V474 K486 K490 L493	G257-Y471 PolarHBondContact O-OH 2.81Å; P469-Y471 HydrophobicContact CB-CD1 3.7Å; P469-Y471 HydrophobicContact CB-CD2 4.49Å; P469-Y471 HydrophobicContact CB-CE1 3.24Å; P469-Y471 HydrophobicContact CB-CE2 4.08Å; P469-Y471 HydrophobicContact CB-CG 4.31Å; P469-Y471 VanDerWaalsContact CB-CZ 3.45Å; P469-Y471 HydrophobicContact CG-CE1 3.95Å; P469-Y471 PolarHBondContact O-N 3.28Å; P469-Y471 VanDerWaalsContact O-N 3.12Å; Y471-L473 VanDerWaalsContact C-N 3.26Å; Y471-L473 PolarHBondContact O-N 3.46Å; Y471-V474 PolarHBondContact O-N 3.25Å; Y471-K486 WeakPolarHBondContact O-CD 3.14Å; Y471-K486 WeakPolarHBondContact O-CE 3.3Å; Y471-K486 WeakPolarHBondContact O-CG 3.11Å; Y471-K490 HydrophobicContact CD1-CG 3.79Å; Y471-K490 HydrophobicContact CD2-CG 4.36Å; Y471-K490 HydrophobicContact CE1-CG 3.6Å; Y471-K490 HydrophobicContact CE2-CG 4.24Å; Y471-K490 HydrophobicContact CG-CG 4.17Å; Y471-L493 HydrophobicContact CE1-CD2 4.31Å
472	E	94.4	Very high	91.8	Very high	53 Å²	53	33.1 Å²	33.1	25%	0.248	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.9	-23.6	174.6	-65.8	-64.3	-174.4	0	0	113.3	K259 Y344 E468 P469 L470 V474 K486	K259-E472 WeakPolarHBondContact CE-OE1 3.42Å; K259-E472 IonicContact NZ-OE1 2.77Å; K259-E472 PolarHBondContact NZ-OE1 2.9Å; Y344-E472 HydrophobicContact CE1-CB 4.29Å; E468-E472 HydrophobicContact CG-CB 4.02Å; E468-E472 HydrophobicContact CG-CG 3.79Å; P469-E472 WeakPolarHBondContact O-CB 3.21Å; P469-E472 PolarHBondContact O-N 2.73Å; L470-E472 PolarHBondContact O-N 3Å; L470-E472 VanDerWaalsContact O-N 3.07Å; E472-V474 PolarHBondContact O-N 3.45Å; E472-K486 IonicContact OE2-NZ 2.95Å; E472-K486 PolarHBondContact OE2-NZ 2.97Å
473	L	95.8	Very high	91.9	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-72	-16.1	172.9	-64.7	175.9	0	0	0	113.1	V190 L191 L311 L313 F317 Y344 L470 Y471 T475	V190-L473 HydrophobicContact CB-CD1 4.22Å; V190-L473 HydrophobicContact CG2-CD1 4.27Å; L191-L473 HydrophobicContact CD2-CD2 4.1Å; L311-L473 HydrophobicContact CD1-CD2 3.85Å; L313-L473 HydrophobicContact CD2-CB 3.96Å; L313-L473 HydrophobicContact CD2-CD1 4.25Å; L313-L473 HydrophobicContact CD2-CD2 4Å; L313-L473 HydrophobicContact CD2-CG 4.29Å; F317-L473 HydrophobicContact CE1-CB 4.19Å; F317-L473 HydrophobicContact CE1-CD1 4.12Å; F317-L473 HydrophobicContact CZ-CD1 4.49Å; Y344-L473 HydrophobicContact CD1-CD1 3.71Å; Y344-L473 HydrophobicContact CD1-CD2 4.15Å; Y344-L473 HydrophobicContact CD1-CG 3.67Å; Y344-L473 HydrophobicContact CD2-CD1 4.4Å; Y344-L473 HydrophobicContact CD2-CD2 4.08Å; Y344-L473 HydrophobicContact CD2-CG 4.44Å; Y344-L473 HydrophobicContact CE1-CD1 4.15Å; Y344-L473 HydrophobicContact CE1-CD2 3.84Å; Y344-L473 HydrophobicContact CE1-CG 3.57Å; Y344-L473 HydrophobicContact CE2-CD2 3.74Å; Y344-L473 HydrophobicContact CE2-CG 4.34Å; Y344-L473 HydrophobicContact CG-CD1 3.85Å; Y344-L473 HydrophobicContact CG-CD2 4.27Å; Y344-L473 HydrophobicContact CG-CG 4.12Å; L470-L473 HydrophobicContact CD2-CD1 4.01Å; L470-L473 WeakPolarHBondContact O-CB 3.35Å; L470-L473 PolarHBondContact O-N 3.48Å; Y471-L473 VanDerWaalsContact C-N 3.26Å; Y471-L473 PolarHBondContact O-N 3.46Å; L473-T475 PolarHBondContact O-N 3Å
474	V	94.6	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.			trans	-81.4	85.4	-179.8	-176.2	0	0	0	0	109.8	V321 Y471 E472 F479 V485 K486 M489	V321-V474 HydrophobicContact CG1-CG1 4.41Å; V321-V474 HydrophobicContact CG1-CG2 4.06Å; Y471-V474 PolarHBondContact O-N 3.25Å; E472-V474 PolarHBondContact O-N 3.45Å; V474-F479 HydrophobicContact CB-CD2 4.29Å; V474-F479 HydrophobicContact CG1-CB 4.21Å; V474-F479 HydrophobicContact CG1-CD2 3.73Å; V474-F479 HydrophobicContact CG1-CE2 4.34Å; V474-F479 HydrophobicContact CG1-CG 4.07Å; V474-V485 HydrophobicContact CG1-CB 4.2Å; V474-V485 HydrophobicContact CG1-CG1 4.03Å; V474-K486 HydrophobicContact CB-CG 4.11Å; V474-K486 HydrophobicContact CG1-CG 4.45Å; V474-K486 WeakPolarHBondContact O-CE 3.32Å; V474-M489 HydrophobicContact CG2-SD 3.69Å
475	T	92.7	Very high	92.5	Very high	46 Å²	46	37 Å²	37	28%	0.282	22%	0.216	S	C	.	.			trans	-90.8	158	-177.4	76.3	0	0	0	0	112.6	L473 T477 D478 F479	L473-T475 PolarHBondContact O-N 3Å; T475-T477 PolarHBondContact O-N 2.74Å; T475-T477 PolarHBondContact OG1-N 3.3Å; T475-T477 PolarHBondContact OG1-OG1 2.88Å; T475-D478 PolarHBondContact O-N 3.16Å; T475-D478 PolarHBondContact OG1-N 3.13Å; T475-D478 PolarHBondContact OG1-OD2 3.25Å; T475-F479 PolarHBondContact O-N 2.97Å; T475-F479 VanDerWaalsContact O-N 3.07Å
476	A	90.8	Very high	92.6	Very high	78 Å²	78	39.2 Å²	39.2	65%	0.645	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.2	173.8	0	0	0	0	0	113.3	S482	A476-S482 WeakPolarHBondContact CA-OG 3.45Å
477	T	88.4	Confident	92.7	Very high	105 Å²	105	41 Å²	41	64%	0.644	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-30.3	177	52.1	0	0	0	0	112.1	V120 T475	V120-T477 WeakPolarHBondContact CG1-O 3.5Å; T475-T477 PolarHBondContact O-N 2.74Å; T475-T477 PolarHBondContact OG1-N 3.3Å; T475-T477 PolarHBondContact OG1-OG1 2.88Å
478	D	88.1	Confident	92.9	Very high	56 Å²	56	41.8 Å²	41.8	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-26.5	-175.4	-55.6	-48.2	0	0	0	112.6	T475	T475-D478 PolarHBondContact O-N 3.16Å; T475-D478 PolarHBondContact OG1-N 3.13Å; T475-D478 PolarHBondContact OG1-OD2 3.25Å
479	F	90.8	Very high	93.1	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	23%	0.23	C	C	.	.			trans	-129.9	133.4	-173.5	-54.5	-80.3	0	0	0	112.6	L313 L318 V321 K322 V474 T475	L313-F479 HydrophobicContact CD1-CE2 3.62Å; L313-F479 HydrophobicContact CD1-CZ 3.69Å; L318-F479 HydrophobicContact CD1-CE1 3.64Å; L318-F479 HydrophobicContact CD1-CE2 4.44Å; L318-F479 HydrophobicContact CD1-CZ 3.56Å; V321-F479 HydrophobicContact CB-CD1 4.29Å; V321-F479 HydrophobicContact CB-CE1 3.52Å; V321-F479 HydrophobicContact CB-CZ 3.81Å; V321-F479 HydrophobicContact CG1-CD1 3.64Å; V321-F479 HydrophobicContact CG1-CD2 4.48Å; V321-F479 HydrophobicContact CG1-CE1 3.3Å; V321-F479 HydrophobicContact CG1-CE2 4.21Å; V321-F479 HydrophobicContact CG1-CG 4.21Å; V321-F479 HydrophobicContact CG1-CZ 3.62Å; V321-F479 HydrophobicContact CG2-CZ 4.46Å; K322-F479 HydrophobicContact CG-CD1 4.06Å; K322-F479 HydrophobicContact CG-CE1 4.04Å; V474-F479 HydrophobicContact CB-CD2 4.29Å; V474-F479 HydrophobicContact CG1-CB 4.21Å; V474-F479 HydrophobicContact CG1-CD2 3.73Å; V474-F479 HydrophobicContact CG1-CE2 4.34Å; V474-F479 HydrophobicContact CG1-CG 4.07Å; T475-F479 PolarHBondContact O-N 2.97Å; T475-F479 VanDerWaalsContact O-N 3.07Å
480	A	89.2	Confident	93	Very high	33 Å²	33	43.8 Å²	43.8	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	148.7	163.5	0	0	0	0	0	109.9	R117 V120 S482	R117-A480 VanDerWaalsContact O-CB 3.22Å; R117-A480 WeakPolarHBondContact O-CB 3.34Å; V120-A480 HydrophobicContact CG2-CB 4.45Å; A480-S482 PolarHBondContact O-N 2.8Å
481	Y	91.5	Very high	92.8	Very high	97 Å²	97	47.8 Å²	47.8	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	31	179.8	-51.7	-83	0	0	0	114.3	R117 L326 S483 T484 V485	R117-Y481 HydrophobicContact CB-CE2 4.36Å; R117-Y481 PolarHBondContact N-OH 2.73Å; R117-Y481 VanDerWaalsContact N-OH 3.11Å; R117-Y481 WeakPolarHBondContact O-CE2 3.25Å; L326-Y481 HydrophobicContact CD1-CD1 4.28Å; L326-Y481 HydrophobicContact CD1-CD2 3.74Å; L326-Y481 HydrophobicContact CD1-CE1 4.48Å; L326-Y481 HydrophobicContact CD1-CE2 3.98Å; L326-Y481 HydrophobicContact CD1-CG 3.9Å; L326-Y481 HydrophobicContact CD2-CD2 4.03Å; L326-Y481 HydrophobicContact CD2-CG 3.89Å; Y481-S483 PolarHBondContact O-N 3.34Å; Y481-S483 VanDerWaalsContact O-N 3.09Å; Y481-T484 PolarHBondContact O-N 3.31Å; Y481-V485 PolarHBondContact O-N 3.41Å; Y481-V485 VanDerWaalsContact O-N 3.14Å
482	S	92.6	Very high	92.9	Very high	13 Å²	13	47.7 Å²	47.7	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-51.7	-37.6	-177.2	63	0	0	0	0	113.1	A476 A480 T484 V485 K486	A476-S482 WeakPolarHBondContact CA-OG 3.45Å; A480-S482 PolarHBondContact O-N 2.8Å; S482-T484 PolarHBondContact O-N 3.2Å; S482-V485 PolarHBondContact O-N 3.28Å; S482-K486 WeakPolarHBondContact O-CB 3.36Å; S482-K486 VanDerWaalsContact O-CG 3.28Å; S482-K486 WeakPolarHBondContact O-CG 3.28Å; S482-K486 PolarHBondContact O-N 2.78Å
483	S	93.6	Very high	92.7	Very high	94 Å²	94	45.2 Å²	45.2	66%	0.657	25%	0.254	S	S	*	.	H	α-helix	trans	-62.2	-42.5	178.4	-54	0	0	0	0	112.8	Y481 Q487	Y481-S483 PolarHBondContact O-N 3.34Å; Y481-S483 VanDerWaalsContact O-N 3.09Å; S483-Q487 PolarHBondContact O-N 2.03Å; S483-Q487 VanDerWaalsContact O-N 3.1Å
484	T	94.1	Very high	92.3	Very high	60 Å²	60	48 Å²	48	37%	0.368	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-48	178	-53.8	0	0	0	0	110.6	Y481 S482 K486 Q487 N488	Y481-T484 PolarHBondContact O-N 3.31Å; S482-T484 PolarHBondContact O-N 3.2Å; T484-K486 VanDerWaalsContact C-N 3.33Å; T484-K486 PolarHBondContact O-N 2.81Å; T484-Q487 PolarHBondContact O-N 2.82Å; T484-Q487 VanDerWaalsContact O-N 3.12Å; T484-N488 PolarHBondContact O-N 2.94Å
485	V	94.9	Very high	92	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-43.6	178.2	178.7	0	0	0	0	110.8	V321 L324 L326 V474 Y481 S482 Q487 N488 M489	V321-V485 HydrophobicContact CG1-CG1 4.41Å; L324-V485 HydrophobicContact CD1-CG1 4.13Å; L326-V485 HydrophobicContact CD2-CG2 4.21Å; V474-V485 HydrophobicContact CG1-CB 4.2Å; V474-V485 HydrophobicContact CG1-CG1 4.03Å; Y481-V485 PolarHBondContact O-N 3.41Å; Y481-V485 VanDerWaalsContact O-N 3.14Å; S482-V485 PolarHBondContact O-N 3.28Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.83Å; V485-N488 PolarHBondContact O-N 2.9Å; V485-M489 HydrophobicContact CG1-CG 4.33Å; V485-M489 HydrophobicContact CG1-SD 4.11Å; V485-M489 WeakPolarHBondContact O-CB 3.32Å; V485-M489 VanDerWaalsContact O-CG 3.29Å; V485-M489 WeakPolarHBondContact O-CG 3.39Å; V485-M489 PolarHBondContact O-N 2.72Å
486	K	94.8	Very high	92	Very high	48 Å²	48	48.6 Å²	48.6	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-43.1	174.7	-79.6	-161.8	-176.2	-157.1	0	112.1	Y471 E472 V474 S482 T484 K490	Y471-K486 WeakPolarHBondContact O-CD 3.14Å; Y471-K486 WeakPolarHBondContact O-CE 3.3Å; Y471-K486 WeakPolarHBondContact O-CG 3.11Å; E472-K486 IonicContact OE2-NZ 2.95Å; E472-K486 PolarHBondContact OE2-NZ 2.97Å; V474-K486 HydrophobicContact CB-CG 4.11Å; V474-K486 HydrophobicContact CG1-CG 4.45Å; V474-K486 WeakPolarHBondContact O-CE 3.32Å; S482-K486 WeakPolarHBondContact O-CB 3.36Å; S482-K486 VanDerWaalsContact O-CG 3.28Å; S482-K486 WeakPolarHBondContact O-CG 3.28Å; S482-K486 PolarHBondContact O-N 2.78Å; T484-K486 VanDerWaalsContact C-N 3.33Å; T484-K486 PolarHBondContact O-N 2.81Å; K486-K490 WeakPolarHBondContact O-CG 3.49Å; K486-K490 PolarHBondContact O-N 3.19Å
487	Q	93.6	Very high	91.8	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.523	25%	0.247	S	C	.	.	H	α-helix	trans	-67.3	-45.1	-179.8	-175	61.1	15.8	0	0	111.7	S483 T484 V485 M489 K490 Q491	S483-Q487 PolarHBondContact O-N 2.03Å; S483-Q487 VanDerWaalsContact O-N 3.1Å; T484-Q487 PolarHBondContact O-N 2.82Å; T484-Q487 VanDerWaalsContact O-N 3.12Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.83Å; Q487-M489 VanDerWaalsContact C-N 3.33Å; Q487-M489 PolarHBondContact O-N 3.37Å; Q487-K490 WeakPolarHBondContact O-CB 3.39Å; Q487-K490 PolarHBondContact O-N 3.27Å; Q487-Q491 PolarHBondContact O-N 2.95Å; Q487-Q491 VanDerWaalsContact O-N 3.11Å
488	N	95.6	Very high	91.7	Very high	16 Å²	16	46.4 Å²	46.4	9%	0.086	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-41.8	176.3	-69.8	-14.5	0	0	0	111.6	L326 Y328 Y333 T484 V485 K490 Q491 A492	L326-N488 PolarHBondContact O-ND2 2.96Å; Y328-N488 HydrophobicContact CD2-CB 3.96Å; Y333-N488 HydrophobicContact CE1-CB 3.84Å; Y333-N488 HydrophobicContact CE2-CB 3.77Å; Y333-N488 VanDerWaalsContact OH-CB 3.27Å; Y333-N488 WeakPolarHBondContact OH-CB 3.45Å; Y333-N488 PolarHBondContact OH-ND2 3.18Å; Y333-N488 VanDerWaalsContact OH-ND2 3.1Å; T484-N488 PolarHBondContact O-N 2.94Å; V485-N488 PolarHBondContact O-N 2.9Å; N488-K490 VanDerWaalsContact C-N 3.33Å; N488-K490 PolarHBondContact O-N 3.31Å; N488-Q491 PolarHBondContact O-N 2.85Å; N488-A492 WeakPolarHBondContact O-CB 3.37Å; N488-A492 PolarHBondContact O-N 3.39Å
489	M	95.7	Very high	91.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-38.5	175.3	-74	-178.3	74	0	0	112.4	Y333 L336 F337 L470 V474 V485 Q487 A492 L493	Y333-M489 HydrophobicContact CD1-CG 3.69Å; Y333-M489 HydrophobicContact CE1-CG 3.7Å; L336-M489 HydrophobicContact CD2-CE 3.65Å; L336-M489 HydrophobicContact CD2-SD 4.31Å; F337-M489 HydrophobicContact CE1-CE 4.15Å; F337-M489 HydrophobicContact CZ-CB 4.44Å; F337-M489 HydrophobicContact CZ-CE 4.47Å; F337-M489 WeakPolarHBondContact CZ-O 3.31Å; L470-M489 HydrophobicContact CB-CE 4.02Å; V474-M489 HydrophobicContact CG2-SD 3.69Å; V485-M489 HydrophobicContact CG1-CG 4.33Å; V485-M489 HydrophobicContact CG1-SD 4.11Å; V485-M489 WeakPolarHBondContact O-CB 3.32Å; V485-M489 VanDerWaalsContact O-CG 3.29Å; V485-M489 WeakPolarHBondContact O-CG 3.39Å; V485-M489 PolarHBondContact O-N 2.72Å; Q487-M489 VanDerWaalsContact C-N 3.33Å; Q487-M489 PolarHBondContact O-N 3.37Å; M489-A492 PolarHBondContact O-N 3.08Å; M489-L493 VanDerWaalsContact O-CB 3.31Å; M489-L493 WeakPolarHBondContact O-CB 3.12Å; M489-L493 PolarHBondContact O-N 2.92Å
490	K	92.2	Very high	91.6	Very high	82 Å²	82	45.6 Å²	45.6	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-45.2	176.1	-75.6	172.8	-179.6	-177.4	0	111.9	Y471 K486 Q487 N488 L493 E494	Y471-K490 HydrophobicContact CD1-CG 3.79Å; Y471-K490 HydrophobicContact CD2-CG 4.36Å; Y471-K490 HydrophobicContact CE1-CG 3.6Å; Y471-K490 HydrophobicContact CE2-CG 4.24Å; Y471-K490 HydrophobicContact CG-CG 4.17Å; K486-K490 WeakPolarHBondContact O-CG 3.49Å; K486-K490 PolarHBondContact O-N 3.19Å; Q487-K490 WeakPolarHBondContact O-CB 3.39Å; Q487-K490 PolarHBondContact O-N 3.27Å; N488-K490 VanDerWaalsContact C-N 3.33Å; N488-K490 PolarHBondContact O-N 3.31Å; K490-L493 PolarHBondContact O-N 2.79Å; K490-E494 PolarHBondContact O-N 3Å
491	Q	91.7	Very high	91.4	Very high	85 Å²	85	46.3 Å²	46.3	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-48.1	177.1	-176.6	-179.2	-23.7	0	0	111	Y328 Q487 N488 L493 E494 E495	Y328-Q491 HydrophobicContact CE1-CG 4.47Å; Y328-Q491 HydrophobicContact CE2-CB 4Å; Y328-Q491 HydrophobicContact CE2-CG 4Å; Q487-Q491 PolarHBondContact O-N 2.95Å; Q487-Q491 VanDerWaalsContact O-N 3.11Å; N488-Q491 PolarHBondContact O-N 2.85Å; Q491-L493 VanDerWaalsContact C-N 3.25Å; Q491-L493 PolarHBondContact O-N 3.06Å; Q491-E494 WeakPolarHBondContact O-CB 3.04Å; Q491-E494 PolarHBondContact O-N 2.88Å; Q491-E494 VanDerWaalsContact O-N 3.11Å; Q491-E495 PolarHBondContact NE2-OE1 2.98Å; Q491-E495 PolarHBondContact O-N 3.24Å
492	A	94.8	Very high	91.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-32.7	178.8	0	0	0	0	0	112.4	Y328 Y330 Y333 F337 N488 M489 E494 E495 F496	Y328-A492 HydrophobicContact CE2-CB 4.16Å; Y328-A492 WeakPolarHBondContact OH-CA 2.93Å; Y330-A492 HydrophobicContact CD2-CB 4.01Å; Y330-A492 HydrophobicContact CE2-CB 4.42Å; Y333-A492 HydrophobicContact CG-CB 3.96Å; F337-A492 HydrophobicContact CE2-CB 3.85Å; N488-A492 WeakPolarHBondContact O-CB 3.37Å; N488-A492 PolarHBondContact O-N 3.39Å; M489-A492 PolarHBondContact O-N 3.08Å; A492-E494 VanDerWaalsContact C-N 3.33Å; A492-E494 PolarHBondContact O-N 3.03Å; A492-E495 PolarHBondContact O-N 2.98Å; A492-F496 VanDerWaalsContact O-CB 3.23Å; A492-F496 WeakPolarHBondContact O-CB 3.37Å; A492-F496 PolarHBondContact O-N 3.34Å
493	L	91.3	Very high	91.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-35.7	176.3	-176.3	59.3	0	0	0	112.2	F182 F258 F337 T342 Y471 M489 K490 Q491 Q497	F182-L493 HydrophobicContact CE2-CD1 3.89Å; F182-L493 HydrophobicContact CZ-CD1 4.13Å; F258-L493 HydrophobicContact CB-CD2 3.66Å; F258-L493 HydrophobicContact CD1-CD2 4.1Å; F258-L493 HydrophobicContact CD1-CG 4.18Å; F258-L493 HydrophobicContact CD2-CB 4.46Å; F258-L493 HydrophobicContact CD2-CD2 3.58Å; F258-L493 HydrophobicContact CD2-CG 3.87Å; F258-L493 HydrophobicContact CE1-CG 4.33Å; F258-L493 HydrophobicContact CE2-CB 4.4Å; F258-L493 HydrophobicContact CE2-CD2 4.27Å; F258-L493 HydrophobicContact CE2-CG 4.04Å; F258-L493 HydrophobicContact CG-CD2 3.5Å; F258-L493 VanDerWaalsContact CG-CD2 3.5Å; F258-L493 HydrophobicContact CG-CG 3.96Å; F258-L493 HydrophobicContact CZ-CG 4.28Å; F337-L493 HydrophobicContact CE1-CD1 4.36Å; F337-L493 HydrophobicContact CE2-CB 4.15Å; F337-L493 HydrophobicContact CZ-CB 3.91Å; F337-L493 HydrophobicContact CZ-CD1 4.28Å; T342-L493 HydrophobicContact CG2-CD1 3.61Å; Y471-L493 HydrophobicContact CE1-CD2 4.31Å; M489-L493 VanDerWaalsContact O-CB 3.31Å; M489-L493 WeakPolarHBondContact O-CB 3.12Å; M489-L493 PolarHBondContact O-N 2.92Å; K490-L493 PolarHBondContact O-N 2.79Å; Q491-L493 VanDerWaalsContact C-N 3.25Å; Q491-L493 PolarHBondContact O-N 3.06Å; L493-Q497 PolarHBondContact O-N 3.37Å
494	E	86.4	Confident	91	Very high	65 Å²	65	42.6 Å²	42.6	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-67.1	-41	174.3	-166.9	-168.4	148.6	0	0	111.8	F258 K490 Q491 A492 K498	F258-E494 HydrophobicContact CE2-CB 4.18Å; F258-E494 HydrophobicContact CZ-CB 4.24Å; F258-E494 HydrophobicContact CZ-CG 4.48Å; K490-E494 PolarHBondContact O-N 3Å; Q491-E494 WeakPolarHBondContact O-CB 3.04Å; Q491-E494 PolarHBondContact O-N 2.88Å; Q491-E494 VanDerWaalsContact O-N 3.11Å; A492-E494 VanDerWaalsContact C-N 3.33Å; A492-E494 PolarHBondContact O-N 3.03Å; E494-K498 IonicContact OE1-NZ 3.25Å; E494-K498 PolarHBondContact OE1-NZ 2.68Å
495	E	90.1	Very high	91	Very high	55 Å²	55	39.9 Å²	39.9	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-67	-42.5	175.3	-68.3	-178.4	-136.8	0	0	111.2	Y328 Y330 Q491 A492 Q497 K498 E499	Y328-E495 PolarHBondContact OH-OE1 3.29Å; Y328-E495 PolarHBondContact OH-OE2 3.23Å; Y330-E495 HydrophobicContact CD2-CB 3.84Å; Y330-E495 HydrophobicContact CE2-CB 3.5Å; Q491-E495 PolarHBondContact NE2-OE1 2.98Å; Q491-E495 PolarHBondContact O-N 3.24Å; A492-E495 PolarHBondContact O-N 2.98Å; E495-Q497 PolarHBondContact O-N 3.14Å; E495-K498 WeakPolarHBondContact O-CB 3.49Å; E495-K498 PolarHBondContact O-N 3.12Å; E495-K498 VanDerWaalsContact O-N 3.11Å; E495-E499 PolarHBondContact O-N 3.07Å
496	F	91.4	Very high	90.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-42.6	179	-171.3	-108.9	0	0	0	112.5	F182 Y330 R334 F337 R338 T342 A492 K498 E499 V500	F182-F496 HydrophobicContact CD2-CD1 4.07Å; F182-F496 HydrophobicContact CD2-CE1 4.29Å; F182-F496 HydrophobicContact CE2-CD1 4.03Å; Y330-F496 HydrophobicContact CE2-CB 4.36Å; Y330-F496 VanDerWaalsContact OH-CA 3.28Å; Y330-F496 WeakPolarHBondContact OH-CA 3.19Å; Y330-F496 PolarHBondContact OH-N 2.9Å; R334-F496 HydrophobicContact CG-CD2 4.06Å; R334-F496 HydrophobicContact CG-CE2 4.14Å; F337-F496 HydrophobicContact CB-CD1 3.95Å; F337-F496 HydrophobicContact CB-CD2 4.22Å; F337-F496 HydrophobicContact CB-CE1 3.77Å; F337-F496 HydrophobicContact CB-CE2 4.05Å; F337-F496 HydrophobicContact CB-CG 4.16Å; F337-F496 HydrophobicContact CB-CZ 3.8Å; F337-F496 HydrophobicContact CD2-CB 4.11Å; F337-F496 HydrophobicContact CD2-CD1 4.39Å; F337-F496 HydrophobicContact CD2-CD2 4.5Å; F337-F496 HydrophobicContact CD2-CG 4.1Å; F337-F496 HydrophobicContact CG-CD1 4.37Å; F337-F496 HydrophobicContact CG-CG 4.47Å; R338-F496 HydrophobicContact CG-CE2 3.93Å; R338-F496 HydrophobicContact CG-CZ 4.21Å; T342-F496 HydrophobicContact CG2-CD1 3.81Å; T342-F496 HydrophobicContact CG2-CE1 3.75Å; A492-F496 VanDerWaalsContact O-CB 3.23Å; A492-F496 WeakPolarHBondContact O-CB 3.37Å; A492-F496 PolarHBondContact O-N 3.34Å; F496-K498 PolarHBondContact O-N 2.89Å; F496-E499 PolarHBondContact O-N 2.92Å; F496-E499 VanDerWaalsContact O-N 3.16Å; F496-V500 HydrophobicContact CD1-CG1 4.13Å; F496-V500 HydrophobicContact CD1-CG2 4.43Å; F496-V500 HydrophobicContact CD2-CG1 3.93Å; F496-V500 HydrophobicContact CE1-CG1 3.75Å; F496-V500 HydrophobicContact CE1-CG2 4.35Å; F496-V500 HydrophobicContact CE2-CG1 3.53Å; F496-V500 HydrophobicContact CG-CG1 4.23Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.45Å; F496-V500 PolarHBondContact O-N 2.99Å
497	Q	87.6	Confident	90.7	Very high	52 Å²	52	40.7 Å²	40.7	24%	0.243	21%	0.211	C	C	.	.	H	α-helix	trans	-54.8	-39.8	174.8	-176.9	-172.5	12	0	0	111.9	F182 F258 L493 E495	F182-Q497 HydrophobicContact CD1-CG 4.22Å; F182-Q497 HydrophobicContact CE1-CB 4.1Å; F182-Q497 HydrophobicContact CE1-CG 3.69Å; F182-Q497 HydrophobicContact CE2-CB 3.9Å; F182-Q497 HydrophobicContact CE2-CG 4.35Å; F182-Q497 HydrophobicContact CZ-CB 3.62Å; F182-Q497 HydrophobicContact CZ-CG 3.76Å; F258-Q497 HydrophobicContact CE1-CB 4.3Å; F258-Q497 HydrophobicContact CE1-CG 4.46Å; F258-Q497 HydrophobicContact CZ-CB 4.49Å; F258-Q497 VanDerWaalsContact CZ-OE1 3.31Å; L493-Q497 PolarHBondContact O-N 3.37Å; E495-Q497 PolarHBondContact O-N 3.14Å
498	K	85.3	Confident	90.6	Very high	86 Å²	86	35.7 Å²	35.7	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-71	-43.4	179.7	-65.3	167.9	-170.2	160.9	0	110.5	E494 E495 F496 H504	E494-K498 IonicContact OE1-NZ 3.25Å; E494-K498 PolarHBondContact OE1-NZ 2.68Å; E495-K498 WeakPolarHBondContact O-CB 3.49Å; E495-K498 PolarHBondContact O-N 3.12Å; E495-K498 VanDerWaalsContact O-N 3.11Å; F496-K498 PolarHBondContact O-N 2.89Å; K498-H504 PolarHBondContact O-CD2 2.91Å; K498-H504 PolarHBondContact O-NE2 3.5Å
499	E	88.9	Confident	90.3	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.089	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-42.8	-178.5	-171.9	-178.8	148.5	0	0	112.7	L89 Y330 R334 R338 E495 F496 S501 H504 L516	L89-E499 HydrophobicContact CB-CG 4.45Å; Y330-E499 WeakPolarHBondContact CE1-OE2 3.37Å; Y330-E499 VanDerWaalsContact CZ-OE2 3.28Å; Y330-E499 PolarHBondContact OH-OE2 3.02Å; R334-E499 VanDerWaalsContact CD-OE1 3.32Å; R334-E499 WeakPolarHBondContact CD-OE1 3.15Å; R334-E499 VanDerWaalsContact CD-OE2 3.25Å; R334-E499 WeakPolarHBondContact CD-OE2 3.48Å; R334-E499 IonicContact NH1-OE1 3.32Å; R334-E499 IonicContact NH1-OE2 3.78Å; R338-E499 IonicContact NH2-OE1 3.87Å; R338-E499 PolarHBondContact NH2-OE1 3.28Å; E495-E499 PolarHBondContact O-N 3.07Å; F496-E499 PolarHBondContact O-N 2.92Å; F496-E499 VanDerWaalsContact O-N 3.16Å; E499-S501 VanDerWaalsContact C-N 3.26Å; E499-S501 PolarHBondContact O-N 3.27Å; E499-H504 PolarHBondContact O-CD2 2.92Å; E499-L516 WeakPolarHBondContact O-CD2 3.42Å
500	V	88.1	Confident	89.7	Confident	30 Å²	30	38.2 Å²	38.2	18%	0.182	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.1	-174.2	-56	0	0	0	0	114.5	F182 F496	F182-V500 HydrophobicContact CB-CG2 3.74Å; F182-V500 HydrophobicContact CD2-CG2 3.74Å; F182-V500 HydrophobicContact CG-CG2 4.02Å; F496-V500 HydrophobicContact CD1-CG1 4.13Å; F496-V500 HydrophobicContact CD1-CG2 4.43Å; F496-V500 HydrophobicContact CD2-CG1 3.93Å; F496-V500 HydrophobicContact CE1-CG1 3.75Å; F496-V500 HydrophobicContact CE1-CG2 4.35Å; F496-V500 HydrophobicContact CE2-CG1 3.53Å; F496-V500 HydrophobicContact CG-CG1 4.23Å; F496-V500 HydrophobicContact CZ-CG1 3.45Å; F496-V500 VanDerWaalsContact CZ-CG1 3.45Å; F496-V500 WeakPolarHBondContact O-CG2 3.45Å; F496-V500 PolarHBondContact O-N 2.99Å
501	S	86.1	Confident	89.3	Confident	47 Å²	47	34.8 Å²	34.8	33%	0.329	19%	0.188	S	C	.	.			trans	-70.2	131.1	179	-175.1	0	0	0	0	111.3	E499 C503 H504	E499-S501 VanDerWaalsContact C-N 3.26Å; E499-S501 PolarHBondContact O-N 3.27Å; S501-C503 VanDerWaalsContact CB-SG 3.55Å; S501-C503 PolarHBondContact O-N 2.74Å; S501-C503 PolarHBondContact OG-SG 2.93Å; S501-H504 PolarHBondContact O-CD2 2.94Å; S501-H504 VanDerWaalsContact O-CD2 3.3Å; S501-H504 PolarHBondContact O-N 3.36Å
502	S	88.3	Confident	89.2	Confident	42 Å²	42	31.2 Å²	31.2	29%	0.294	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-66.6	-4.2	178.2	61	0	0	0	0	114.1	H504 C505	S502-H504 PolarHBondContact O-N 3.23Å; S502-C505 WeakPolarHBondContact O-CB 3.48Å; S502-C505 PolarHBondContact O-N 2.74Å
503	C	89.2	Confident	89	Confident	24 Å²	24	31.9 Å²	31.9	16%	0.162	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.5	-19	175.8	66.3	0	0	0	0	113.4	S501 C505 C550 N570	S501-C503 VanDerWaalsContact CB-SG 3.55Å; S501-C503 PolarHBondContact O-N 2.74Å; S501-C503 PolarHBondContact OG-SG 2.93Å; C503-C505 VanDerWaalsContact C-N 3.26Å; C503-C550 HydrophobicContact CB-CB 3.97Å; C503-C550 WeakPolarHBondContact CB-SG 3.43Å; C503-C550 PolarHBondContact O-SG 3.1Å; C503-C550 WeakPolarHBondContact SG-CA 3.44Å; C503-C550 WeakPolarHBondContact SG-CB 3.01Å; C503-C550 CovalentContact SG-SG 2.03Å; C503-C550 PolarHBondContact SG-SG 3.23Å; C503-N570 PolarHBondContact O-ND2 3.03Å; C503-N570 VanDerWaalsContact O-ND2 3.09Å
504	H	91.1	Very high	89	Confident	61 Å²	61	33.1 Å²	33.1	28%	0.282	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-74.9	-17.2	175.9	-67.3	-66.3	0	0	0	113.1	P92 K498 E499 S501 S502 C550	P92-H504 WeakPolarHBondContact CD-O 3.44Å; P92-H504 HydrophobicContact CG-CB 4.42Å; P92-H504 WeakPolarHBondContact CG-O 3.49Å; K498-H504 PolarHBondContact O-CD2 2.91Å; K498-H504 PolarHBondContact O-NE2 3.5Å; E499-H504 PolarHBondContact O-CD2 2.92Å; S501-H504 PolarHBondContact O-CD2 2.94Å; S501-H504 VanDerWaalsContact O-CD2 3.3Å; S501-H504 PolarHBondContact O-N 3.36Å; S502-H504 PolarHBondContact O-N 3.23Å; H504-C550 VanDerWaalsContact CE1-SG 3.55Å; H504-C550 PolarHBondContact N-SG 2.9Å; H504-C550 VanDerWaalsContact N-SG 3.36Å; H504-C550 PolarHBondContact ND1-SG 2.7Å; H504-C550 VanDerWaalsContact ND1-SG 3.42Å
505	C	93.3	Very high	89.1	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.014	17%	0.174	C	C	.	.	S	Bend	trans	-71.1	144.4	175.1	-60.2	0	0	0	0	110.6	S502 C503 P514 C521 N570	S502-C505 WeakPolarHBondContact O-CB 3.48Å; S502-C505 PolarHBondContact O-N 2.74Å; C503-C505 VanDerWaalsContact C-N 3.26Å; C505-P514 HydrophobicContact CB-CB 3.61Å; C505-P514 HydrophobicContact CB-CG 4.41Å; C505-C521 WeakPolarHBondContact CA-SG 3.47Å; C505-C521 HydrophobicContact CB-CB 3.67Å; C505-C521 WeakPolarHBondContact CB-SG 3.43Å; C505-C521 WeakPolarHBondContact SG-CB 3.5Å; C505-C521 CovalentContact SG-SG 2.03Å; C505-C521 PolarHBondContact SG-SG 2.87Å; C505-N570 PolarHBondContact O-ND2 3.17Å
506	A	92.9	Very high	89	Confident	26 Å²	26	28.3 Å²	28.3	22%	0.215	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-68.1	150.4	168.3	0	0	0	0	0	110.2	I63 Q94 C508	I63-A506 HydrophobicContact CD1-CB 3.47Å; I63-A506 VanDerWaalsContact CD1-CB 3.47Å; Q94-A506 PolarHBondContact NE2-O 3.43Å; Q94-A506 VanDerWaalsContact OE1-CB 3.29Å; Q94-A506 PolarHBondContact OE1-O 3.16Å; A506-C508 PolarHBondContact O-N 3.45Å
507	P	92.3	Very high	88.8	Confident	47 Å²	47	30.6 Å²	30.6	31%	0.305	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-59.3	134	-179.2	-26.1	36.6	0	0	0	112.4	N570 P571	P507-N570 WeakPolarHBondContact CD-OD1 3.33Å; P507-N570 WeakPolarHBondContact CG-OD1 3.28Å; P507-P571 HydrophobicContact CB-CB 3.9Å; P507-P571 HydrophobicContact CB-CG 4.06Å; P507-P571 HydrophobicContact CG-CB 4.06Å
508	C	91.1	Very high	88.8	Confident	7 Å²	7	30.5 Å²	30.5	5%	0.047	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-77.4	148.5	163	-50.6	0	0	0	0	109.1	A506 G512 C523	A506-C508 PolarHBondContact O-N 3.45Å; C508-G512 WeakPolarHBondContact CB-O 3.26Å; C508-C523 HydrophobicContact CB-CB 3.8Å; C508-C523 WeakPolarHBondContact CB-SG 3.38Å; C508-C523 VanDerWaalsContact SG-CA 3.52Å; C508-C523 WeakPolarHBondContact SG-CB 3.44Å; C508-C523 CovalentContact SG-SG 2.03Å; C508-C523 PolarHBondContact SG-SG 3.22Å
509	Q	87.7	Confident	89	Confident	57 Å²	57	28.1 Å²	28.1	27%	0.266	18%	0.182	S	C	.	.	S	Bend	trans	-81.6	170.9	173.9	-58.7	-170.3	6.5	0	0	111	V58 N511 G512 A533 C534	V58-Q509 VanDerWaalsContact CG1-NE2 3.33Å; Q509-N511 PolarHBondContact O-N 3.32Å; Q509-G512 PolarHBondContact O-N 2.93Å; Q509-A533 WeakPolarHBondContact CA-O 3.35Å; Q509-A533 WeakPolarHBondContact CB-O 3.5Å; Q509-A533 HydrophobicContact CG-CB 4.48Å; Q509-A533 PolarHBondContact N-O 2.95Å; Q509-C534 WeakPolarHBondContact O-CB 3.41Å
510	G	83.5	Confident	89.2	Confident	12 Å²	12	33.8 Å²	33.8	12%	0.124	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.1	174.6	0	0	0	0	0	114.4	G512 P526	G510-G512 VanDerWaalsContact C-N 3.26Å; G510-G512 PolarHBondContact O-N 3.28Å; G510-P526 WeakPolarHBondContact O-CG 3.43Å
511	N	85.3	Confident	89.5	Confident	11 Å²	11	32.6 Å²	32.6	6%	0.059	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	31.1	-172.4	-50.2	-73	0	0	0	115	K283 H287 Q509 P543 T544 D545	K283-N511 WeakPolarHBondContact CE-O 3.33Å; H287-N511 PolarHBondContact CD2-ND2 2.84Å; H287-N511 PolarHBondContact NE2-ND2 3.44Å; Q509-N511 PolarHBondContact O-N 3.32Å; N511-P543 PolarHBondContact ND2-O 3.11Å; N511-P543 PolarHBondContact OD1-O 3.19Å; N511-T544 WeakPolarHBondContact OD1-CA 3.43Å; N511-D545 PolarHBondContact OD1-N 2.01Å
512	G	88.7	Confident	89.8	Confident	10 Å²	10	32.9 Å²	32.9	10%	0.103	19%	0.193	C	C	.	.			trans	-57.5	144.9	165.8	0	0	0	0	0	111.1	C508 Q509 G510 P514 I524	C508-G512 WeakPolarHBondContact CB-O 3.26Å; Q509-G512 PolarHBondContact O-N 2.93Å; G510-G512 VanDerWaalsContact C-N 3.26Å; G510-G512 PolarHBondContact O-N 3.28Å; G512-P514 WeakPolarHBondContact O-CD 3.39Å; G512-I524 VanDerWaalsContact CA-O 3.27Å; G512-I524 WeakPolarHBondContact CA-O 3.19Å
513	V	90	Very high	89.9	Confident	13 Å²	13	32.1 Å²	32.1	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.6	178.3	-179.1	0	0	0	0	108.7	I279 I524	I279-V513 HydrophobicContact CG2-CG2 4.15Å; V513-I524 HydrophobicContact CB-CB 4.3Å; V513-I524 PolarHBondContact N-O 2.93Å; V513-I524 PolarHBondContact O-N 3.13Å
514	P	90.9	Very high	90.1	Very high	27 Å²	27	31.6 Å²	31.6	18%	0.175	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.5	176.3	28.1	-32.6	0	0	0	110.9	C505 G512 D522	C505-P514 HydrophobicContact CB-CB 3.61Å; C505-P514 HydrophobicContact CB-CG 4.41Å; G512-P514 WeakPolarHBondContact O-CD 3.39Å; P514-D522 CarbonylContact C-O 3.59Å; P514-D522 WeakPolarHBondContact CA-O 3.29Å
515	V	89.3	Confident	90	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.6	176.8	-177.7	0	0	0	0	109.2	R270 Q271 K517 D522 I524	R270-V515 HydrophobicContact CB-CG1 4.43Å; R270-V515 HydrophobicContact CB-CG2 3.92Å; Q271-V515 HydrophobicContact CG-CG1 3.92Å; V515-K517 HydrophobicContact CG1-CG 4.32Å; V515-D522 PolarHBondContact N-O 3.31Å; V515-D522 PolarHBondContact O-N 3.02Å; V515-I524 HydrophobicContact CG2-CD1 3.53Å; V515-I524 HydrophobicContact CG2-CG1 3.93Å
516	L	88.8	Confident	89.8	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.7	173.6	-174.4	67.7	0	0	0	110.1	L89 P92 Q271 E499 G518 C521	L89-L516 HydrophobicContact CD2-CD1 4.46Å; P92-L516 HydrophobicContact CB-CD1 3.88Å; P92-L516 HydrophobicContact CG-CD1 4.34Å; Q271-L516 PolarHBondContact NE2-O 3.16Å; E499-L516 WeakPolarHBondContact O-CD2 3.42Å; L516-G518 WeakPolarHBondContact CD1-O 3.48Å; L516-C521 VanDerWaalsContact CD1-SG 3.56Å
517	K	86.3	Confident	89.5	Confident	51 Å²	51	31.4 Å²	31.4	22%	0.222	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	95.4	174.6	-67.8	-169	173	-156.2	0	109	Q271 V515 S519 R520	Q271-K517 HydrophobicContact CG-CG 4.49Å; Q271-K517 PolarHBondContact O-NZ 2.68Å; V515-K517 HydrophobicContact CG1-CG 4.32Å; K517-S519 PolarHBondContact O-N 2.94Å; K517-R520 HydrophobicContact CB-CG 4.26Å; K517-R520 PolarHBondContact N-O 3.24Å; K517-R520 WeakPolarHBondContact O-CG 3.26Å; K517-R520 PolarHBondContact O-N 2.85Å
518	G	87.1	Confident	89	Confident	49 Å²	49	30.7 Å²	30.7	51%	0.505	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-117.9	-172.6	0	0	0	0	0	110.3	L516	L516-G518 WeakPolarHBondContact CD1-O 3.48Å
519	S	91.2	Very high	88.8	Confident	37 Å²	37	30.6 Å²	30.6	26%	0.259	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	4.3	178.8	55.5	0	0	0	0	114.6	P92 S93 K517	P92-S519 CarbonylContact C-O 3.53Å; P92-S519 VanDerWaalsContact CA-O 3.22Å; P92-S519 WeakPolarHBondContact CA-O 3.16Å; P92-S519 WeakPolarHBondContact CB-O 3.36Å; S93-S519 PolarHBondContact N-O 2.93Å; S93-S519 PolarHBondContact OG-O 3.13Å; K517-S519 PolarHBondContact O-N 2.94Å
520	R	92.9	Very high	88.7	Confident	137 Å²	137	33.1 Å²	33.1	52%	0.517	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.8	179.8	61.7	167	178.6	-167.8	-1.1	113	S93 K517	S93-R520 WeakPolarHBondContact O-CA 3.26Å; K517-R520 HydrophobicContact CB-CG 4.26Å; K517-R520 PolarHBondContact N-O 3.24Å; K517-R520 WeakPolarHBondContact O-CG 3.26Å; K517-R520 PolarHBondContact O-N 2.85Å
521	C	93.5	Very high	88.9	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.4	172.6	-71.8	0	0	0	0	111.2	P92 S93 Q94 C505 L516	P92-C521 VanDerWaalsContact CB-SG 3.5Å; P92-C521 HydrophobicContact CG-CB 4.48Å; P92-C521 WeakPolarHBondContact CG-SG 3.38Å; S93-C521 PolarHBondContact O-N 2.85Å; Q94-C521 HydrophobicContact CB-CB 4.3Å; Q94-C521 HydrophobicContact CG-CB 4.02Å; C505-C521 WeakPolarHBondContact CA-SG 3.47Å; C505-C521 HydrophobicContact CB-CB 3.67Å; C505-C521 WeakPolarHBondContact CB-SG 3.43Å; C505-C521 WeakPolarHBondContact SG-CB 3.5Å; C505-C521 CovalentContact SG-SG 2.03Å; C505-C521 PolarHBondContact SG-SG 2.87Å; L516-C521 VanDerWaalsContact CD1-SG 3.56Å
522	D	91.8	Very high	88.9	Confident	52 Å²	52	37.7 Å²	37.7	28%	0.278	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.4	173.2	-62.1	-31.9	0	0	0	110.2	K276 P514 V515	K276-D522 IonicContact NZ-OD2 3.93Å; P514-D522 CarbonylContact C-O 3.59Å; P514-D522 WeakPolarHBondContact CA-O 3.29Å; V515-D522 PolarHBondContact N-O 3.31Å; V515-D522 PolarHBondContact O-N 3.02Å
523	C	92.2	Very high	88.9	Confident	26 Å²	26	37.2 Å²	37.2	18%	0.176	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.9	173.1	-69.7	0	0	0	0	111.4	C508 C525 L532	C508-C523 HydrophobicContact CB-CB 3.8Å; C508-C523 WeakPolarHBondContact CB-SG 3.38Å; C508-C523 VanDerWaalsContact SG-CA 3.52Å; C508-C523 WeakPolarHBondContact SG-CB 3.44Å; C508-C523 CovalentContact SG-SG 2.03Å; C508-C523 PolarHBondContact SG-SG 3.22Å; C523-C525 PolarHBondContact O-N 3.22Å; C523-L532 WeakPolarHBondContact CB-O 3.31Å
524	I	91.4	Very high	89	Confident	13 Å²	13	36.7 Å²	36.7	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106	166	-56.4	170.2	0	0	0	107.9	R270 K276 I279 R280 G512 V513 V515	R270-I524 HydrophobicContact CB-CD1 4.47Å; K276-I524 HydrophobicContact CB-CD1 4.33Å; K276-I524 HydrophobicContact CG-CD1 3.8Å; K276-I524 HydrophobicContact CG-CG1 4.08Å; I279-I524 HydrophobicContact CB-CG2 4.4Å; I279-I524 HydrophobicContact CD1-CD1 4.39Å; I279-I524 HydrophobicContact CG2-CG2 4.1Å; R280-I524 HydrophobicContact CB-CG2 4.11Å; G512-I524 VanDerWaalsContact CA-O 3.27Å; G512-I524 WeakPolarHBondContact CA-O 3.19Å; V513-I524 HydrophobicContact CB-CB 4.3Å; V513-I524 PolarHBondContact N-O 2.93Å; V513-I524 PolarHBondContact O-N 3.13Å; V515-I524 HydrophobicContact CG2-CD1 3.53Å; V515-I524 HydrophobicContact CG2-CG1 3.93Å
525	C	90.7	Very high	88.8	Confident	15 Å²	15	37 Å²	37	10%	0.101	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-85.7	136.4	-178.4	-59.3	0	0	0	0	113	R280 C523 C534	R280-C525 VanDerWaalsContact CD-O 3.27Å; R280-C525 WeakPolarHBondContact CD-O 3.27Å; R280-C525 WeakPolarHBondContact CG-O 3.38Å; R280-C525 PolarHBondContact NE-O 3.15Å; C523-C525 PolarHBondContact O-N 3.22Å; C525-C534 WeakPolarHBondContact CA-SG 3.46Å; C525-C534 HydrophobicContact CB-CB 3.66Å; C525-C534 WeakPolarHBondContact CB-SG 3.36Å; C525-C534 WeakPolarHBondContact SG-CA 3.47Å; C525-C534 WeakPolarHBondContact SG-CB 2.98Å; C525-C534 CovalentContact SG-SG 2.02Å; C525-C534 PolarHBondContact SG-SG 2.88Å
526	P	89.2	Confident	88.6	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.045	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-58.7	154.5	169.4	-23.5	34.9	0	0	0	112.4	K283 R284 G510 G528 S529	K283-P526 HydrophobicContact CB-CB 4.31Å; K283-P526 HydrophobicContact CB-CG 4.07Å; K283-P526 HydrophobicContact CG-CB 4.49Å; K283-P526 HydrophobicContact CG-CG 3.77Å; R284-P526 HydrophobicContact CB-CB 4.41Å; G510-P526 WeakPolarHBondContact O-CG 3.43Å; P526-G528 PolarHBondContact O-N 3.29Å; P526-S529 PolarHBondContact O-N 3.27Å
527	I	85	Confident	88.4	Confident	63 Å²	63	38.2 Å²	38.2	32%	0.323	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	131.1	173.8	-69.4	-175.7	0	0	0	110.8	R280 R281 R284 S529	R280-I527 HydrophobicContact CG-CG1 3.79Å; R280-I527 PolarHBondContact O-N 2.91Å; R280-I527 VanDerWaalsContact O-N 3.13Å; R281-I527 HydrophobicContact CB-CD1 4.29Å; R281-I527 HydrophobicContact CG-CD1 3.56Å; R284-I527 HydrophobicContact CB-CB 4.24Å; I527-S529 VanDerWaalsContact C-N 3.32Å
528	G	82.8	Confident	87.8	Confident	33 Å²	33	42.6 Å²	42.6	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-1.5	-177	0	0	0	0	0	114.1	P526 Y538	P526-G528 PolarHBondContact O-N 3.29Å; G528-Y538 WeakPolarHBondContact O-CD1 3.35Å
529	S	87.2	Confident	87.2	Confident	5 Å²	5	45.4 Å²	45.4	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	141.6	160.1	-58.7	0	0	0	0	110.2	P526 I527 V536	P526-S529 PolarHBondContact O-N 3.27Å; I527-S529 VanDerWaalsContact C-N 3.32Å; S529-V536 CarbonylContact C-O 3.48Å; S529-V536 VanDerWaalsContact CA-O 3.27Å; S529-V536 WeakPolarHBondContact CA-O 3.28Å
530	Q	85.8	Confident	86.3	Confident	109 Å²	109	51.4 Å²	51.4	51%	0.509	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	168.2	-177.8	-66.2	-176.4	-17.5	0	0	109.8	C534 E535 V536	Q530-C534 CarbonylContact O-C 3.39Å; Q530-C534 WeakPolarHBondContact O-CA 3.41Å; Q530-E535 PolarHBondContact O-N 3.09Å; Q530-V536 HydrophobicContact CB-CB 4.15Å; Q530-V536 PolarHBondContact N-O 2.95Å; Q530-V536 WeakPolarHBondContact O-CB 3.38Å; Q530-V536 PolarHBondContact O-N 3.44Å
531	G	86.6	Confident	85.5	Confident	40 Å²	40	51 Å²	51	41%	0.412	27%	0.265	S	S	.	.	S	Bend	trans	93.7	171.7	-175	0	0	0	0	0	112.8	A533 C534 E535	G531-A533 VanDerWaalsContact C-N 3.34Å; G531-C534 PolarHBondContact O-N 3.37Å; G531-E535 VanDerWaalsContact C-OE2 3.28Å; G531-E535 WeakPolarHBondContact CA-OE1 3.44Å; G531-E535 WeakPolarHBondContact CA-OE2 3.34Å
532	L	86.4	Confident	84.9	Confident	80 Å²	80	52.5 Å²	52.5	42%	0.419	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-30.4	-172.2	-63.2	164.2	0	0	0	112.2	L60 F95 H96 C523 E535	L60-L532 HydrophobicContact CD1-CB 4.42Å; F95-L532 HydrophobicContact CD1-CB 4.02Å; H96-L532 WeakPolarHBondContact CD2-CD1 3.31Å; H96-L532 VanDerWaalsContact NE2-CD2 3.33Å; H96-L532 WeakPolarHBondContact NE2-CD2 3.33Å; C523-L532 WeakPolarHBondContact CB-O 3.31Å; L532-E535 PolarHBondContact N-OE2 2.91Å
533	A	88.7	Confident	84.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.2	176.4	0	0	0	0	0	112.4	L60 F95 Q509 G531 E535	L60-A533 HydrophobicContact CD1-CB 3.68Å; L60-A533 HydrophobicContact CD2-CB 3.42Å; L60-A533 VanDerWaalsContact CD2-CB 3.42Å; L60-A533 HydrophobicContact CG-CB 4.21Å; F95-A533 HydrophobicContact CD1-CB 3.85Å; F95-A533 VanDerWaalsContact CE1-CA 3.46Å; F95-A533 HydrophobicContact CE1-CB 3.23Å; F95-A533 HydrophobicContact CE2-CB 4.46Å; F95-A533 HydrophobicContact CZ-CB 3.57Å; Q509-A533 WeakPolarHBondContact CA-O 3.35Å; Q509-A533 WeakPolarHBondContact CB-O 3.5Å; Q509-A533 HydrophobicContact CG-CB 4.48Å; Q509-A533 PolarHBondContact N-O 2.95Å; G531-A533 VanDerWaalsContact C-N 3.34Å; A533-E535 WeakPolarHBondContact CA-OE2 2.93Å; A533-E535 PolarHBondContact N-OE2 2.76Å; A533-E535 PolarHBondContact O-N 2.85Å
534	C	90.4	Very high	84.4	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	27%	0.268	C	S	.	.	S	Bend	trans	62.9	31.2	-171.3	-34	0	0	0	0	112.8	Q509 C525 Q530 G531	Q509-C534 WeakPolarHBondContact O-CB 3.41Å; C525-C534 WeakPolarHBondContact CA-SG 3.46Å; C525-C534 HydrophobicContact CB-CB 3.66Å; C525-C534 WeakPolarHBondContact CB-SG 3.36Å; C525-C534 WeakPolarHBondContact SG-CA 3.47Å; C525-C534 WeakPolarHBondContact SG-CB 2.98Å; C525-C534 CovalentContact SG-SG 2.02Å; C525-C534 PolarHBondContact SG-SG 2.88Å; Q530-C534 CarbonylContact O-C 3.39Å; Q530-C534 WeakPolarHBondContact O-CA 3.41Å; G531-C534 PolarHBondContact O-N 3.37Å
535	E	86.5	Confident	84.2	Confident	35 Å²	35	51.3 Å²	51.3	16%	0.164	27%	0.267	C	S	.	.			trans	-77.4	-24.4	-174.7	73	-74.5	-179.6	0	0	113.7	L60 Q530 G531 L532 A533	L60-E535 HydrophobicContact CD1-CG 3.9Å; L60-E535 WeakPolarHBondContact CD1-OE1 3.29Å; L60-E535 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E535 HydrophobicContact CG-CG 4.39Å; Q530-E535 PolarHBondContact O-N 3.09Å; G531-E535 VanDerWaalsContact C-OE2 3.28Å; G531-E535 WeakPolarHBondContact CA-OE1 3.44Å; G531-E535 WeakPolarHBondContact CA-OE2 3.34Å; L532-E535 PolarHBondContact N-OE2 2.91Å; A533-E535 WeakPolarHBondContact CA-OE2 2.93Å; A533-E535 PolarHBondContact N-OE2 2.76Å; A533-E535 PolarHBondContact O-N 2.85Å
536	V	86.1	Confident	84.2	Confident	25 Å²	25	50.8 Å²	50.8	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.3	179.5	-176.6	0	0	0	0	108.6	S529 Q530	S529-V536 CarbonylContact C-O 3.48Å; S529-V536 VanDerWaalsContact CA-O 3.27Å; S529-V536 WeakPolarHBondContact CA-O 3.28Å; Q530-V536 HydrophobicContact CB-CB 4.15Å; Q530-V536 PolarHBondContact N-O 2.95Å; Q530-V536 WeakPolarHBondContact O-CB 3.38Å; Q530-V536 PolarHBondContact O-N 3.44Å
537	S	83.7	Confident	84.2	Confident	19 Å²	19	53.9 Å²	53.9	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.7	175.7	-164.7	0	0	0	0	111.7	I542	S537-I542 WeakPolarHBondContact OG-CD1 3.45Å
538	Y	75.3	Confident	84.5	Confident	143 Å²	143	53.2 Å²	53.2	56%	0.561	27%	0.27	S	S	*	.	S	Bend	trans	-83.3	-14.3	177.5	64.9	-80.8	0	0	0	112.9	G528	G528-Y538 WeakPolarHBondContact O-CD1 3.35Å
539	R	73.3	Confident	84.9	Confident	107 Å²	107	53.6 Å²	53.6	40%	0.404	26%	0.264	S	S	.	.	S	Bend	trans	-98.9	133.1	179.8	-61.1	-171.7	-176.6	-172.5	0.4	110.6	T288 I542	T288-R539 VanDerWaalsContact CG2-NH1 3.32Å; R539-I542 HydrophobicContact CB-CD1 4.23Å; R539-I542 HydrophobicContact CB-CG1 3.87Å
540	K	72.1	Confident	85	Confident	163 Å²	163	54.9 Å²	54.9	71%	0.709	27%	0.273	S	S	*	.	S	Bend	trans	-84.2	149.9	170.5	-68.1	-173.5	178.6	-175.9	0	110.4	M53 I542	M53-K540 WeakPolarHBondContact SD-CE 3.48Å; K540-I542 VanDerWaalsContact C-N 3.33Å; K540-I542 PolarHBondContact O-N 3.17Å
541	N	76.4	Confident	85.2	Confident	128 Å²	128	53 Å²	53	68%	0.684	26%	0.261	S	S	*	.	S	Bend	trans	50.1	49	176.3	-60.7	-15.2	0	0	0	113.3	P543	N541-P543 WeakPolarHBondContact O-CD 3.45Å
542	I	80.7	Confident	85.3	Confident	39 Å²	39	53.7 Å²	53.7	20%	0.2	26%	0.26	C	S	.	.			trans	-58.3	127.8	174.2	-55.4	175.1	0	0	0	107.3	S537 R539 K540 T544	S537-I542 WeakPolarHBondContact OG-CD1 3.45Å; R539-I542 HydrophobicContact CB-CD1 4.23Å; R539-I542 HydrophobicContact CB-CG1 3.87Å; K540-I542 VanDerWaalsContact C-N 3.33Å; K540-I542 PolarHBondContact O-N 3.17Å; I542-T544 PolarHBondContact O-N 3.4Å
543	P	85.9	Confident	85.3	Confident	31 Å²	31	55 Å²	55	20%	0.201	28%	0.276	C	S	.	.			trans	-57.2	135.9	173	-19.9	29.9	0	0	0	109.7	H287 N511 N541 N575	H287-P543 HydrophobicContact CB-CG 3.92Å; H287-P543 PolarHBondContact CD2-O 3.32Å; H287-P543 WeakPolarHBondContact ND1-CB 3.19Å; H287-P543 PolarHBondContact NE2-O 2.74Å; N511-P543 PolarHBondContact ND2-O 3.11Å; N511-P543 PolarHBondContact OD1-O 3.19Å; N541-P543 WeakPolarHBondContact O-CD 3.45Å; P543-N575 WeakPolarHBondContact CB-O 3.38Å
544	T	87.8	Confident	85.1	Confident	25 Å²	25	57 Å²	57	15%	0.153	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-106.9	117.4	179.8	-58.1	0	0	0	0	107.9	N511 I542 P571 P573 Q574 G577	N511-T544 WeakPolarHBondContact OD1-CA 3.43Å; I542-T544 PolarHBondContact O-N 3.4Å; T544-P571 HydrophobicContact CG2-CB 4.18Å; T544-P571 HydrophobicContact CG2-CG 3.62Å; T544-P573 CarbonylContact O-C 3.6Å; T544-P573 VanDerWaalsContact O-CA 3.24Å; T544-P573 WeakPolarHBondContact O-CA 3.48Å; T544-Q574 PolarHBondContact N-O 3.04Å; T544-Q574 PolarHBondContact O-N 3.12Å; T544-G577 WeakPolarHBondContact O-CA 3.27Å
545	D	88.6	Confident	85	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.053	30%	0.299	C	S	.	.			trans	-71.6	137	175.9	-64.3	-34.9	0	0	0	110.5	K283 H287 N511 S578	K283-D545 IonicContact NZ-OD2 3.23Å; K283-D545 PolarHBondContact NZ-OD2 2.9Å; H287-D545 IonicContact CE1-OD1 3.91Å; H287-D545 PolarHBondContact CE1-OD1 3.35Å; H287-D545 VanDerWaalsContact CE1-OD1 3.31Å; H287-D545 IonicContact CE1-OD2 2.69Å; H287-D545 IonicContact NE2-OD2 2.73Å; N511-D545 PolarHBondContact OD1-N 2.01Å; D545-S578 PolarHBondContact OD1-N 2.89Å; D545-S578 PolarHBondContact OD1-OG 3.02Å
546	G	89.8	Confident	85.1	Confident	4 Å²	4	62.8 Å²	62.8	4%	0.041	33%	0.328	C	S	.	.			trans	-66.6	133.8	173.9	0	0	0	0	0	111.3	P571 S578 C580	G546-P571 CarbonylContact C-O 3.52Å; G546-P571 VanDerWaalsContact CA-O 3.31Å; G546-P571 WeakPolarHBondContact CA-O 3.35Å; G546-S578 PolarHBondContact N-O 3.06Å; G546-C580 PolarHBondContact O-SG 3.43Å; G546-C580 VanDerWaalsContact O-SG 3.37Å
547	K	89.9	Confident	85.2	Confident	71 Å²	71	65.1 Å²	65.1	31%	0.309	34%	0.344	S	S	.	.			trans	-127.5	148.7	170.2	-62.3	-67.5	-179	-173.2	0	111.1	E241 E246 N569 N570 P571 C580	E241-K547 IonicContact OE2-NZ 2.88Å; E246-K547 IonicContact OE1-NZ 3.93Å; E246-K547 PolarHBondContact OE1-NZ 3.41Å; K547-N569 PolarHBondContact O-N 3.02Å; K547-N570 WeakPolarHBondContact CB-O 3.21Å; K547-N570 CarbonylContact O-C 3.51Å; K547-N570 PolarHBondContact O-N 2.8Å; K547-P571 PolarHBondContact N-O 3.35Å; K547-C580 WeakPolarHBondContact CA-SG 3.47Å; K547-C580 PolarHBondContact N-SG 3.44Å; K547-C580 VanDerWaalsContact N-SG 3.38Å
548	W	90.2	Very high	85.4	Confident	49 Å²	49	68.8 Å²	68.8	19%	0.186	37%	0.37	C	S	.	.			trans	-69.3	139.3	-178	-70.3	111.8	0	0	0	111.5	R566 Q567 C568 C580 S581 G582 A584	W548-R566 HydrophobicContact CD2-CG 4.03Å; W548-R566 HydrophobicContact CE3-CB 4.09Å; W548-R566 HydrophobicContact CE3-CG 3.48Å; W548-R566 VanDerWaalsContact CE3-CG 3.48Å; W548-R566 HydrophobicContact CZ3-CG 3.86Å; W548-Q567 VanDerWaalsContact CE3-C 3.43Å; W548-C568 HydrophobicContact CE3-CB 4.28Å; W548-C568 HydrophobicContact CH2-CB 4.46Å; W548-C568 HydrophobicContact CZ3-CB 4.1Å; W548-C580 HydrophobicContact CD2-CB 3.87Å; W548-C580 HydrophobicContact CE3-CB 4.49Å; W548-C580 HydrophobicContact CG-CB 4.26Å; W548-C580 HydrophobicContact CH2-CB 4.22Å; W548-C580 HydrophobicContact CZ2-CB 3.57Å; W548-S581 PolarHBondContact NE1-O 3.37Å; W548-G582 WeakPolarHBondContact CZ2-O 3.41Å; W548-A584 HydrophobicContact CH2-CB 3.67Å; W548-A584 HydrophobicContact CZ3-CB 3.95Å
549	N	91.3	Very high	86	Confident	41 Å²	41	65.9 Å²	65.9	22%	0.219	38%	0.384	C	S	.	.			trans	-72.1	175.9	160.4	72.7	-1.8	0	0	0	111.2	R566 Q567 N569 N570	N549-R566 WeakPolarHBondContact OD1-CA 2.98Å; N549-R566 VanDerWaalsContact OD1-CB 3.31Å; N549-R566 WeakPolarHBondContact OD1-CB 3.37Å; N549-Q567 PolarHBondContact N-O 3.07Å; N549-Q567 PolarHBondContact OD1-N 3.07Å; N549-Q567 PolarHBondContact OD1-O 2.95Å; N549-N569 WeakPolarHBondContact CB-OD1 3.33Å; N549-N569 PolarHBondContact ND2-OD1 2.03Å; N549-N570 HydrophobicContact CB-CB 4Å
550	C	90.6	Very high	86.6	Confident	32 Å²	32	62.4 Å²	62.4	22%	0.216	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.1	173.5	-65.6	0	0	0	0	111.6	C503 H504	C503-C550 HydrophobicContact CB-CB 3.97Å; C503-C550 WeakPolarHBondContact CB-SG 3.43Å; C503-C550 PolarHBondContact O-SG 3.1Å; C503-C550 WeakPolarHBondContact SG-CA 3.44Å; C503-C550 WeakPolarHBondContact SG-CB 3.01Å; C503-C550 CovalentContact SG-SG 2.03Å; C503-C550 PolarHBondContact SG-SG 3.23Å; H504-C550 VanDerWaalsContact CE1-SG 3.55Å; H504-C550 PolarHBondContact N-SG 2.9Å; H504-C550 VanDerWaalsContact N-SG 3.36Å; H504-C550 PolarHBondContact ND1-SG 2.7Å; H504-C550 VanDerWaalsContact ND1-SG 3.42Å
551	W	88.8	Confident	87.4	Confident	69 Å²	69	61.5 Å²	61.5	26%	0.261	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-56.4	139.3	168.9	-72.9	108	0	0	0	111	R564 R566 E586	W551-R564 HydrophobicContact CD2-CG 4.23Å; W551-R564 HydrophobicContact CE3-CB 4.34Å; W551-R564 HydrophobicContact CE3-CG 3.64Å; W551-R564 HydrophobicContact CZ3-CG 4.05Å; W551-R566 HydrophobicContact CD2-CB 4.17Å; W551-R566 HydrophobicContact CD2-CG 4Å; W551-R566 HydrophobicContact CE3-CB 3.87Å; W551-R566 HydrophobicContact CE3-CG 3.68Å; W551-R566 HydrophobicContact CH2-CG 3.84Å; W551-R566 HydrophobicContact CZ2-CG 4.14Å; W551-R566 HydrophobicContact CZ3-CB 4.26Å; W551-R566 HydrophobicContact CZ3-CG 3.61Å; W551-E586 HydrophobicContact CH2-CB 3.88Å; W551-E586 HydrophobicContact CZ3-CB 4.06Å
552	S	88.9	Confident	87.9	Confident	56 Å²	56	57.7 Å²	57.7	39%	0.392	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-61	161.8	168.3	74.6	0	0	0	0	111	Q565	S552-Q565 WeakPolarHBondContact CB-O 2.76Å; S552-Q565 PolarHBondContact N-O 2.95Å; S552-Q565 PolarHBondContact OG-N 2.77Å; S552-Q565 PolarHBondContact OG-O 2.75Å
553	S	86.1	Confident	88.2	Confident	107 Å²	107	58.4 Å²	58.4	75%	0.748	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-54.9	147.9	162.8	-62.5	0	0	0	0	110.3
554	W	85.2	Confident	88.3	Confident	41 Å²	41	58.1 Å²	58.1	16%	0.155	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-61	138.6	170.7	-72.6	110.8	0	0	0	110	K562 T563 R564 E586 L588	W554-K562 HydrophobicContact CB-CD 4.09Å; W554-K562 HydrophobicContact CD2-CD 3.93Å; W554-K562 HydrophobicContact CD2-CG 4.13Å; W554-K562 HydrophobicContact CE3-CB 4.06Å; W554-K562 HydrophobicContact CE3-CD 4.02Å; W554-K562 HydrophobicContact CE3-CG 3.68Å; W554-K562 HydrophobicContact CG-CD 3.96Å; W554-K562 HydrophobicContact CZ3-CG 4.19Å; W554-K562 WeakPolarHBondContact CZ3-O 3.48Å; W554-T563 WeakPolarHBondContact CA-O 3.1Å; W554-T563 VanDerWaalsContact CE3-C 3.46Å; W554-R564 HydrophobicContact CD2-CB 4.14Å; W554-R564 HydrophobicContact CD2-CG 4.2Å; W554-R564 HydrophobicContact CE3-CB 3.84Å; W554-R564 HydrophobicContact CE3-CG 3.89Å; W554-R564 HydrophobicContact CH2-CB 4.47Å; W554-R564 HydrophobicContact CH2-CG 3.62Å; W554-R564 VanDerWaalsContact CZ2-CD 3.4Å; W554-R564 HydrophobicContact CZ2-CG 3.97Å; W554-R564 VanDerWaalsContact CZ2-NE 3.34Å; W554-R564 HydrophobicContact CZ3-CB 4.03Å; W554-R564 HydrophobicContact CZ3-CG 3.6Å; W554-E586 HydrophobicContact CH2-CB 4.44Å; W554-E586 HydrophobicContact CH2-CG 4.1Å; W554-L588 HydrophobicContact CH2-CB 4.09Å; W554-L588 HydrophobicContact CH2-CD1 3.42Å; W554-L588 VanDerWaalsContact CH2-CD1 3.42Å; W554-L588 HydrophobicContact CH2-CG 3.51Å; W554-L588 HydrophobicContact CZ2-CD1 3.35Å; W554-L588 HydrophobicContact CZ2-CG 4.02Å; W554-L588 HydrophobicContact CZ3-CB 4.26Å; W554-L588 HydrophobicContact CZ3-CD1 4.31Å; W554-L588 HydrophobicContact CZ3-CG 4.16Å
555	S	88	Confident	88.5	Confident	48 Å²	48	62.8 Å²	62.8	34%	0.336	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.7	155.8	167	71.1	0	0	0	0	110.4	K562 T563	S555-K562 WeakPolarHBondContact O-CB 3.45Å; S555-T563 PolarHBondContact N-O 2.86Å; S555-T563 PolarHBondContact OG-N 3.17Å; S555-T563 PolarHBondContact OG-OG1 3.41Å
556	S	87.8	Confident	88.7	Confident	110 Å²	110	64.7 Å²	64.7	77%	0.769	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-53	146.1	166.4	-58.3	0	0	0	0	110.3	S558	S556-S558 PolarHBondContact O-N 2.02Å; S556-S558 VanDerWaalsContact O-N 3.13Å
557	C	88.1	Confident	88.9	Confident	74 Å²	74	70.1 Å²	70.1	50%	0.5	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-62.5	116.7	176.7	-170.3	0	0	0	0	109	C590	C557-C590 WeakPolarHBondContact CA-SG 3.46Å; C557-C590 HydrophobicContact CB-CB 3.96Å; C557-C590 WeakPolarHBondContact CB-SG 3.5Å; C557-C590 WeakPolarHBondContact SG-CB 3.42Å; C557-C590 CovalentContact SG-SG 2.03Å; C557-C590 PolarHBondContact SG-SG 3.11Å
558	S	88.8	Confident	89	Confident	96 Å²	96	68.5 Å²	68.5	67%	0.671	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-133.1	124.7	178.6	-179.4	0	0	0	0	108.8	S556 G560 R561	S556-S558 PolarHBondContact O-N 2.02Å; S556-S558 VanDerWaalsContact O-N 3.13Å; S558-G560 PolarHBondContact O-N 2.99Å; S558-R561 PolarHBondContact N-O 3.32Å; S558-R561 PolarHBondContact O-N 3.09Å; S558-R561 VanDerWaalsContact O-N 3.12Å; S558-R561 VanDerWaalsContact O-O 3.07Å
559	G	86.9	Confident	89.1	Confident	83 Å²	83	69.5 Å²	69.5	86%	0.856	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	33.7	-176.9	0	0	0	0	0	113.6	R561	G559-R561 PolarHBondContact O-N 3.14Å
560	G	86.9	Confident	89	Confident	34 Å²	34	69.2 Å²	69.2	35%	0.351	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.2	-178.2	0	0	0	0	0	114.3	S558 D589 C590	S558-G560 PolarHBondContact O-N 2.99Å; G560-D589 CarbonylContact O-C 3.5Å; G560-D589 VanDerWaalsContact O-CA 3.27Å; G560-D589 WeakPolarHBondContact O-CA 3.38Å; G560-C590 CarbonylContact C-O 3.43Å; G560-C590 VanDerWaalsContact CA-O 3.3Å; G560-C590 WeakPolarHBondContact CA-O 3.36Å; G560-C590 PolarHBondContact O-N 3.41Å
561	R	87.7	Confident	89	Confident	144 Å²	144	68.9 Å²	68.9	54%	0.543	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148	178.5	-72.6	178.2	174.4	163.6	3.1	112.3	S558 G559 T587 L588 D589 C590	S558-R561 PolarHBondContact N-O 3.32Å; S558-R561 PolarHBondContact O-N 3.09Å; S558-R561 VanDerWaalsContact O-N 3.12Å; S558-R561 VanDerWaalsContact O-O 3.07Å; G559-R561 PolarHBondContact O-N 3.14Å; R561-T587 HydrophobicContact CB-CG2 4.14Å; R561-T587 HydrophobicContact CG-CG2 4.22Å; R561-L588 CarbonylContact C-O 3.44Å; R561-L588 WeakPolarHBondContact CA-O 3.43Å; R561-D589 VanDerWaalsContact CG-OD1 3.29Å; R561-D589 WeakPolarHBondContact CG-OD1 3.22Å; R561-D589 IonicContact CZ-OD1 3.96Å; R561-D589 IonicContact NE-OD1 3.03Å; R561-D589 PolarHBondContact NE-OD1 2.84Å; R561-D589 IonicContact NH2-OD1 3.99Å; R561-C590 VanDerWaalsContact CA-SG 3.51Å; R561-C590 PolarHBondContact N-SG 3.47Å
562	K	86.9	Confident	89.1	Confident	47 Å²	47	68.1 Å²	68.1	20%	0.204	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.7	168.8	59.2	179.1	-175.1	176.4	0	109.7	W554 S555 T587 L588 C590	W554-K562 HydrophobicContact CB-CD 4.09Å; W554-K562 HydrophobicContact CD2-CD 3.93Å; W554-K562 HydrophobicContact CD2-CG 4.13Å; W554-K562 HydrophobicContact CE3-CB 4.06Å; W554-K562 HydrophobicContact CE3-CD 4.02Å; W554-K562 HydrophobicContact CE3-CG 3.68Å; W554-K562 HydrophobicContact CG-CD 3.96Å; W554-K562 HydrophobicContact CZ3-CG 4.19Å; W554-K562 WeakPolarHBondContact CZ3-O 3.48Å; S555-K562 WeakPolarHBondContact O-CB 3.45Å; K562-T587 WeakPolarHBondContact O-CA 3.03Å; K562-L588 HydrophobicContact CG-CB 4.25Å; K562-L588 PolarHBondContact N-O 3.4Å; K562-L588 PolarHBondContact O-N 3.32Å; K562-C590 HydrophobicContact CD-CB 4.41Å; K562-C590 HydrophobicContact CG-CB 4.35Å
563	T	88.1	Confident	89.3	Confident	54 Å²	54	68.1 Å²	68.1	33%	0.331	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.9	-175.9	60.7	0	0	0	0	111.1	W554 S555 E586 T587	W554-T563 WeakPolarHBondContact CA-O 3.1Å; W554-T563 VanDerWaalsContact CE3-C 3.46Å; S555-T563 PolarHBondContact N-O 2.86Å; S555-T563 PolarHBondContact OG-N 3.17Å; S555-T563 PolarHBondContact OG-OG1 3.41Å; T563-E586 CarbonylContact C-O 3.38Å; T563-E586 VanDerWaalsContact CA-O 3.32Å; T563-E586 WeakPolarHBondContact CA-O 3.27Å; T563-T587 HydrophobicContact CG2-CG2 4.06Å
564	R	88.8	Confident	89.5	Confident	26 Å²	26	68 Å²	68	10%	0.098	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.4	170.3	65.9	178.2	-177.7	-173.3	-5.8	110.3	W551 W554 S585 E586	W551-R564 HydrophobicContact CD2-CG 4.23Å; W551-R564 HydrophobicContact CE3-CB 4.34Å; W551-R564 HydrophobicContact CE3-CG 3.64Å; W551-R564 HydrophobicContact CZ3-CG 4.05Å; W554-R564 HydrophobicContact CD2-CB 4.14Å; W554-R564 HydrophobicContact CD2-CG 4.2Å; W554-R564 HydrophobicContact CE3-CB 3.84Å; W554-R564 HydrophobicContact CE3-CG 3.89Å; W554-R564 HydrophobicContact CH2-CB 4.47Å; W554-R564 HydrophobicContact CH2-CG 3.62Å; W554-R564 VanDerWaalsContact CZ2-CD 3.4Å; W554-R564 HydrophobicContact CZ2-CG 3.97Å; W554-R564 VanDerWaalsContact CZ2-NE 3.34Å; W554-R564 HydrophobicContact CZ3-CB 4.03Å; W554-R564 HydrophobicContact CZ3-CG 3.6Å; R564-S585 WeakPolarHBondContact O-CA 3.3Å; R564-E586 HydrophobicContact CG-CB 4.05Å; R564-E586 IonicContact CZ-OE2 3.73Å; R564-E586 PolarHBondContact N-O 3.38Å; R564-E586 IonicContact NE-OE2 2.73Å; R564-E586 PolarHBondContact NE-OE2 3.39Å; R564-E586 IonicContact NH2-OE1 3.21Å; R564-E586 IonicContact NH2-OE2 3.54Å; R564-E586 PolarHBondContact NH2-OE2 3.33Å; R564-E586 PolarHBondContact O-N 3.47Å
565	Q	91.6	Very high	89.5	Confident	123 Å²	123	70.7 Å²	70.7	58%	0.575	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.3	-174.7	-64.3	-177.8	-5.4	0	0	111.5	S552 A584	S552-Q565 WeakPolarHBondContact CB-O 2.76Å; S552-Q565 PolarHBondContact N-O 2.95Å; S552-Q565 PolarHBondContact OG-N 2.77Å; S552-Q565 PolarHBondContact OG-O 2.75Å; Q565-A584 CarbonylContact C-O 3.56Å; Q565-A584 WeakPolarHBondContact CA-O 3.46Å
566	R	92	Very high	89.3	Confident	49 Å²	49	72.1 Å²	72.1	19%	0.185	44%	0.435	C	S	.	.			trans	-144.4	159.4	172.2	58.3	176	-179.3	-178.5	0.8	110.2	W548 N549 W551 P583 A584	W548-R566 HydrophobicContact CD2-CG 4.03Å; W548-R566 HydrophobicContact CE3-CB 4.09Å; W548-R566 HydrophobicContact CE3-CG 3.48Å; W548-R566 VanDerWaalsContact CE3-CG 3.48Å; W548-R566 HydrophobicContact CZ3-CG 3.86Å; N549-R566 WeakPolarHBondContact OD1-CA 2.98Å; N549-R566 VanDerWaalsContact OD1-CB 3.31Å; N549-R566 WeakPolarHBondContact OD1-CB 3.37Å; W551-R566 HydrophobicContact CD2-CB 4.17Å; W551-R566 HydrophobicContact CD2-CG 4Å; W551-R566 HydrophobicContact CE3-CB 3.87Å; W551-R566 HydrophobicContact CE3-CG 3.68Å; W551-R566 HydrophobicContact CH2-CG 3.84Å; W551-R566 HydrophobicContact CZ2-CG 4.14Å; W551-R566 HydrophobicContact CZ3-CB 4.26Å; W551-R566 HydrophobicContact CZ3-CG 3.61Å; R566-P583 VanDerWaalsContact CZ-O 3.24Å; R566-P583 PolarHBondContact NE-O 2.03Å; R566-P583 PolarHBondContact NH2-O 3.49Å; R566-A584 PolarHBondContact N-O 3.1Å
567	Q	93.5	Very high	89.2	Confident	118 Å²	118	67.5 Å²	67.5	55%	0.551	41%	0.405	S	S	*	.			trans	-122	146.8	-177.1	-63.5	177.5	-9.1	0	0	110.7	W548 N549 N569	W548-Q567 VanDerWaalsContact CE3-C 3.43Å; N549-Q567 PolarHBondContact N-O 3.07Å; N549-Q567 PolarHBondContact OD1-N 3.07Å; N549-Q567 PolarHBondContact OD1-O 2.95Å; Q567-N569 VanDerWaalsContact C-N 3.28Å; Q567-N569 PolarHBondContact O-N 3.12Å; Q567-N569 VanDerWaalsContact O-N 3.1Å; Q567-N569 PolarHBondContact O-OD1 3.3Å; Q567-N569 PolarHBondContact OE1-ND2 3.03Å
568	C	92.7	Very high	89	Confident	37 Å²	37	66 Å²	66	25%	0.25	40%	0.395	C	S	.	.	S	Bend	trans	-86	68.8	177.8	-173.6	0	0	0	0	110.1	W548 C580	W548-C568 HydrophobicContact CE3-CB 4.28Å; W548-C568 HydrophobicContact CH2-CB 4.46Å; W548-C568 HydrophobicContact CZ3-CB 4.1Å; C568-C580 WeakPolarHBondContact CA-SG 3.09Å; C568-C580 HydrophobicContact CB-CB 3.73Å; C568-C580 WeakPolarHBondContact CB-SG 3.29Å; C568-C580 WeakPolarHBondContact SG-CB 3Å; C568-C580 PolarHBondContact SG-N 3.32Å; C568-C580 CovalentContact SG-SG 2.02Å; C568-C580 PolarHBondContact SG-SG 3.21Å
569	N	92.2	Very high	89	Confident	70 Å²	70	66.1 Å²	66.1	37%	0.374	39%	0.394	S	S	.	.			trans	-139.9	17.2	-173.2	64.3	-6.7	0	0	0	114.5	K547 N549 Q567 P571 P572	K547-N569 PolarHBondContact O-N 3.02Å; N549-N569 WeakPolarHBondContact CB-OD1 3.33Å; N549-N569 PolarHBondContact ND2-OD1 2.03Å; Q567-N569 VanDerWaalsContact C-N 3.28Å; Q567-N569 PolarHBondContact O-N 3.12Å; Q567-N569 VanDerWaalsContact O-N 3.1Å; Q567-N569 PolarHBondContact O-OD1 3.3Å; Q567-N569 PolarHBondContact OE1-ND2 3.03Å; N569-P571 VanDerWaalsContact C-CA 3.49Å; N569-P572 WeakPolarHBondContact O-CD 3.09Å
570	N	89.3	Confident	89	Confident	35 Å²	35	63.2 Å²	63.2	19%	0.187	36%	0.36	C	S	.	.	S	Bend	trans	-126	60.3	-179.9	-163.3	43.8	0	0	0	113.6	C503 C505 P507 K547 N549	C503-N570 PolarHBondContact O-ND2 3.03Å; C503-N570 VanDerWaalsContact O-ND2 3.09Å; C505-N570 PolarHBondContact O-ND2 3.17Å; P507-N570 WeakPolarHBondContact CD-OD1 3.33Å; P507-N570 WeakPolarHBondContact CG-OD1 3.28Å; K547-N570 WeakPolarHBondContact CB-O 3.21Å; K547-N570 CarbonylContact O-C 3.51Å; K547-N570 PolarHBondContact O-N 2.8Å; N549-N570 HydrophobicContact CB-CB 4Å
571	P	91.1	Very high	88.8	Confident	25 Å²	25	64.8 Å²	64.8	16%	0.162	37%	0.366	C	S	.	.	S	Bend	cis	-92.3	168	4	34.9	-31.4	0	0	0	112.7	P507 T544 G546 K547 N569	P507-P571 HydrophobicContact CB-CB 3.9Å; P507-P571 HydrophobicContact CB-CG 4.06Å; P507-P571 HydrophobicContact CG-CB 4.06Å; T544-P571 HydrophobicContact CG2-CB 4.18Å; T544-P571 HydrophobicContact CG2-CG 3.62Å; G546-P571 CarbonylContact C-O 3.52Å; G546-P571 VanDerWaalsContact CA-O 3.31Å; G546-P571 WeakPolarHBondContact CA-O 3.35Å; K547-P571 PolarHBondContact N-O 3.35Å; N569-P571 VanDerWaalsContact C-CA 3.49Å
572	P	91.3	Very high	88.5	Confident	53 Å²	53	60.5 Å²	60.5	34%	0.344	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72	151.7	168.8	30.8	-34.2	0	0	0	111.1	N569 Q574	N569-P572 WeakPolarHBondContact O-CD 3.09Å; P572-Q574 PolarHBondContact O-N 2.93Å
573	P	92	Very high	88.4	Confident	57 Å²	57	62.1 Å²	62.1	37%	0.37	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.6	176.8	26.5	-32.7	0	0	0	111.1	T544	T544-P573 CarbonylContact O-C 3.6Å; T544-P573 VanDerWaalsContact O-CA 3.24Å; T544-P573 WeakPolarHBondContact O-CA 3.48Å
574	Q	89.9	Confident	88.5	Confident	104 Å²	104	61.9 Å²	61.9	49%	0.486	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-140.4	158.7	-179.4	-63.7	-179.4	-11.8	0	0	111.8	T544 P572 G576 G577	T544-Q574 PolarHBondContact N-O 3.04Å; T544-Q574 PolarHBondContact O-N 3.12Å; P572-Q574 PolarHBondContact O-N 2.93Å; Q574-G576 PolarHBondContact O-N 3.31Å; Q574-G576 VanDerWaalsContact O-N 3.11Å; Q574-G577 PolarHBondContact O-N 3.27Å
575	N	86.8	Confident	88.5	Confident	97 Å²	97	63.5 Å²	63.5	52%	0.519	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	35.1	174.6	-60.3	-34.8	0	0	0	113.9	P543	P543-N575 WeakPolarHBondContact CB-O 3.38Å
576	G	83.1	Confident	88.3	Confident	79 Å²	79	60.4 Å²	60.4	81%	0.814	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	14.5	-178.5	0	0	0	0	0	115.3	Q574	Q574-G576 PolarHBondContact O-N 3.31Å; Q574-G576 VanDerWaalsContact O-N 3.11Å
577	G	85	Confident	87.9	Confident	13 Å²	13	61.7 Å²	61.7	13%	0.134	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-69.1	161.6	174.9	0	0	0	0	0	113.5	T544 Q574	T544-G577 WeakPolarHBondContact O-CA 3.27Å; Q574-G577 PolarHBondContact O-N 3.27Å
578	S	85.4	Confident	87.4	Confident	41 Å²	41	59.4 Å²	59.4	29%	0.287	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-71.3	143.4	-172.4	-54.4	0	0	0	0	111.7	D545 G546	D545-S578 PolarHBondContact OD1-N 2.89Å; D545-S578 PolarHBondContact OD1-OG 3.02Å; G546-S578 PolarHBondContact N-O 3.06Å
579	P	88.7	Confident	86.9	Confident	99 Å²	99	62.7 Å²	62.7	64%	0.643	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-70	162	171.9	31.2	-35.1	0	0	0	111.3	S581	P579-S581 PolarHBondContact O-N 2.79Å
580	C	87	Confident	86.2	Confident	22 Å²	22	60.5 Å²	60.5	15%	0.149	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-64.9	134	176.4	-62.5	0	0	0	0	112	G546 K547 W548 C568	G546-C580 PolarHBondContact O-SG 3.43Å; G546-C580 VanDerWaalsContact O-SG 3.37Å; K547-C580 WeakPolarHBondContact CA-SG 3.47Å; K547-C580 PolarHBondContact N-SG 3.44Å; K547-C580 VanDerWaalsContact N-SG 3.38Å; W548-C580 HydrophobicContact CD2-CB 3.87Å; W548-C580 HydrophobicContact CE3-CB 4.49Å; W548-C580 HydrophobicContact CG-CB 4.26Å; W548-C580 HydrophobicContact CH2-CB 4.22Å; W548-C580 HydrophobicContact CZ2-CB 3.57Å; C568-C580 WeakPolarHBondContact CA-SG 3.09Å; C568-C580 HydrophobicContact CB-CB 3.73Å; C568-C580 WeakPolarHBondContact CB-SG 3.29Å; C568-C580 WeakPolarHBondContact SG-CB 3Å; C568-C580 PolarHBondContact SG-N 3.32Å; C568-C580 CovalentContact SG-SG 2.02Å; C568-C580 PolarHBondContact SG-SG 3.21Å
581	S	82.7	Confident	84.9	Confident	68 Å²	68	67.6 Å²	67.6	48%	0.476	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-89.8	143	173.9	-48.1	0	0	0	0	112	W548 P579	W548-S581 PolarHBondContact NE1-O 3.37Å; P579-S581 PolarHBondContact O-N 2.79Å
582	G	81.2	Confident	84.6	Confident	53 Å²	53	69.8 Å²	69.8	55%	0.546	46%	0.462	S	S	.	.	S	Bend	trans	100.9	178.7	178.5	0	0	0	0	0	114.7	W548	W548-G582 WeakPolarHBondContact CZ2-O 3.41Å
583	P	85.1	Confident	84.2	Confident	81 Å²	81	70.6 Å²	70.6	53%	0.526	47%	0.468	S	S	.	.			trans	-76.6	141	-172	28.9	-34.6	0	0	0	112.6	R566	R566-P583 VanDerWaalsContact CZ-O 3.24Å; R566-P583 PolarHBondContact NE-O 2.03Å; R566-P583 PolarHBondContact NH2-O 3.49Å
584	A	88.6	Confident	83.8	Confident	50 Å²	50	71.4 Å²	71.4	41%	0.413	47%	0.474	S	S	.	.	S	Bend	trans	-84	-21.1	173.1	0	0	0	0	0	113.4	W548 Q565 R566	W548-A584 HydrophobicContact CH2-CB 3.67Å; W548-A584 HydrophobicContact CZ3-CB 3.95Å; Q565-A584 CarbonylContact C-O 3.56Å; Q565-A584 WeakPolarHBondContact CA-O 3.46Å; R566-A584 PolarHBondContact N-O 3.1Å
585	S	88.6	Confident	83.5	Confident	59 Å²	59	69.5 Å²	69.5	41%	0.413	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.8	-177.2	-174.7	0	0	0	0	109.7	R564	R564-S585 WeakPolarHBondContact O-CA 3.3Å
586	E	87.4	Confident	83.2	Confident	59 Å²	59	67.8 Å²	67.8	28%	0.276	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	176.9	-172	-179	175.7	0	0	110.2	W551 W554 T563 R564	W551-E586 HydrophobicContact CH2-CB 3.88Å; W551-E586 HydrophobicContact CZ3-CB 4.06Å; W554-E586 HydrophobicContact CH2-CB 4.44Å; W554-E586 HydrophobicContact CH2-CG 4.1Å; T563-E586 CarbonylContact C-O 3.38Å; T563-E586 VanDerWaalsContact CA-O 3.32Å; T563-E586 WeakPolarHBondContact CA-O 3.27Å; R564-E586 HydrophobicContact CG-CB 4.05Å; R564-E586 IonicContact CZ-OE2 3.73Å; R564-E586 PolarHBondContact N-O 3.38Å; R564-E586 IonicContact NE-OE2 2.73Å; R564-E586 PolarHBondContact NE-OE2 3.39Å; R564-E586 IonicContact NH2-OE1 3.21Å; R564-E586 IonicContact NH2-OE2 3.54Å; R564-E586 PolarHBondContact NH2-OE2 3.33Å; R564-E586 PolarHBondContact O-N 3.47Å
587	T	84.6	Confident	83.2	Confident	75 Å²	75	67 Å²	67	46%	0.46	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.8	180	-55.6	0	0	0	0	109.1	R561 K562 T563	R561-T587 HydrophobicContact CB-CG2 4.14Å; R561-T587 HydrophobicContact CG-CG2 4.22Å; K562-T587 WeakPolarHBondContact O-CA 3.03Å; T563-T587 HydrophobicContact CG2-CG2 4.06Å
588	L	82	Confident	83.1	Confident	70 Å²	70	70.9 Å²	70.9	37%	0.366	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143	171.6	-69.9	178.1	0	0	0	109.7	W554 R561 K562	W554-L588 HydrophobicContact CH2-CB 4.09Å; W554-L588 HydrophobicContact CH2-CD1 3.42Å; W554-L588 VanDerWaalsContact CH2-CD1 3.42Å; W554-L588 HydrophobicContact CH2-CG 3.51Å; W554-L588 HydrophobicContact CZ2-CD1 3.35Å; W554-L588 HydrophobicContact CZ2-CG 4.02Å; W554-L588 HydrophobicContact CZ3-CB 4.26Å; W554-L588 HydrophobicContact CZ3-CD1 4.31Å; W554-L588 HydrophobicContact CZ3-CG 4.16Å; R561-L588 CarbonylContact C-O 3.44Å; R561-L588 WeakPolarHBondContact CA-O 3.43Å; K562-L588 HydrophobicContact CG-CB 4.25Å; K562-L588 PolarHBondContact N-O 3.4Å; K562-L588 PolarHBondContact O-N 3.32Å
589	D	82.1	Confident	82.9	Confident	107 Å²	107	73.2 Å²	73.2	57%	0.572	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	142	168.8	-58.5	-43.9	0	0	0	109.4	G560 R561	G560-D589 CarbonylContact O-C 3.5Å; G560-D589 VanDerWaalsContact O-CA 3.27Å; G560-D589 WeakPolarHBondContact O-CA 3.38Å; R561-D589 VanDerWaalsContact CG-OD1 3.29Å; R561-D589 WeakPolarHBondContact CG-OD1 3.22Å; R561-D589 IonicContact CZ-OD1 3.96Å; R561-D589 IonicContact NE-OD1 3.03Å; R561-D589 PolarHBondContact NE-OD1 2.84Å; R561-D589 IonicContact NH2-OD1 3.99Å
590	C	78.8	Confident	82.5	Confident	24 Å²	24	71 Å²	71	16%	0.162	47%	0.47	C	S	.	.			trans	-127.9	133.2	175.4	48.5	0	0	0	0	108.8	C557 G560 R561 K562	C557-C590 WeakPolarHBondContact CA-SG 3.46Å; C557-C590 HydrophobicContact CB-CB 3.96Å; C557-C590 WeakPolarHBondContact CB-SG 3.5Å; C557-C590 WeakPolarHBondContact SG-CB 3.42Å; C557-C590 CovalentContact SG-SG 2.03Å; C557-C590 PolarHBondContact SG-SG 3.11Å; G560-C590 CarbonylContact C-O 3.43Å; G560-C590 VanDerWaalsContact CA-O 3.3Å; G560-C590 WeakPolarHBondContact CA-O 3.36Å; G560-C590 PolarHBondContact O-N 3.41Å; R561-C590 VanDerWaalsContact CA-SG 3.51Å; R561-C590 PolarHBondContact N-SG 3.47Å; K562-C590 HydrophobicContact CD-CB 4.41Å; K562-C590 HydrophobicContact CG-CB 4.35Å
591	S	61.6	Low	82.1	Confident	184 Å²	184	75.5 Å²	75.5	100%	1.287	50%	0.5	S	S	*	.			trans	-97.7	0	-179.3	59.1	0	0	0	0	111.8

Retrieved 591 of 591 residues in 618.9 ms (Link to these results)

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