A0A087Y009_POEFO Loading...

ADAMTS like 5

AlphaFold DB , UniProt , Accession A0A087Y009, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	35.1	Very low	250 Å²	250	169.7 Å²	169.7	100%	1.232	89%	0.894	S	S	*	*				0	161	0	-77.8	168.8	165.2	0	0	109.1
2	T	29.2	Very low	34.7	Very low	142 Å²	142	167.1 Å²	167.1	87%	0.871	88%	0.881	S	S	*	*			trans	-81.4	168.4	-168.2	22.6	0	0	0	0	114
3	P	53.3	Low	34.5	Very low	125 Å²	125	171.6 Å²	171.6	81%	0.812	88%	0.879	S	S	*	*			trans	-106.9	178.9	-151.7	41.7	-38.3	0	0	0	115.6
4	G	30.3	Very low	34.3	Very low	80 Å²	80	168.3 Å²	168.3	83%	0.825	87%	0.87	S	S	*	*			trans	-151.2	109.4	164.8	0	0	0	0	0	112.8
5	Q	40.5	Very low	34.2	Very low	173 Å²	173	165.2 Å²	165.2	81%	0.808	86%	0.861	S	S	*	*			trans	-109	149.8	167.6	-69.6	-175	-1.6	0	0	110.3
6	T	31.8	Very low	34.1	Very low	136 Å²	136	161.8 Å²	161.8	83%	0.834	85%	0.85	S	S	*	*			trans	175.3	117	136.3	23.6	0	0	0	0	107.8
7	R	32.5	Very low	33.9	Very low	236 Å²	236	163.2 Å²	163.2	89%	0.891	85%	0.848	S	S	*	*				75.8	122.8	73	-84.8	-167.1	170.7	-163.3	-1.8	115
8	R	38.4	Very low	33.7	Very low	241 Å²	241	160.2 Å²	160.2	91%	0.909	84%	0.837	S	S	*	*			trans	-63.2	159.4	166.9	-58.6	172.5	174.8	172.5	-3.8	111.2
9	L	29.6	Very low	33.6	Very low	172 Å²	172	159.2 Å²	159.2	90%	0.901	83%	0.833	S	S	*	*			trans	-155	156.9	139.5	-112.8	165.3	0	0	0	111.6
10	T	33.2	Very low	33.3	Very low	131 Å²	131	158.3 Å²	158.3	80%	0.804	83%	0.828	S	S	*	*			trans	-102.4	145.5	-177	46.6	0	0	0	0	111.2
11	L	31.1	Very low	33.1	Very low	181 Å²	181	158.4 Å²	158.4	95%	0.948	83%	0.828	S	S	*	*			trans	-101.2	129.9	179.9	-147.5	80.4	0	0	0	112
12	N	30.3	Very low	32.8	Very low	138 Å²	138	151.4 Å²	151.4	74%	0.738	81%	0.81	S	S	*	*			trans	-161.6	120.9	169.4	-158.4	1.2	0	0	0	111.7
13	R	32.1	Very low	33.1	Very low	226 Å²	226	149 Å²	149	85%	0.853	80%	0.804	S	S	*	*			trans	66.4	153.3	162.8	-79	176.2	-177.7	-147.7	-2.3	117.9
14	V	32.3	Very low	32.4	Very low	125 Å²	125	149.2 Å²	149.2	76%	0.758	81%	0.806	S	S	*	*			cis	-163.7	-178.9	-22.4	99.1	0	0	0	0	109.5
15	V	31.9	Very low	32.4	Very low	122 Å²	122	148.2 Å²	148.2	74%	0.739	80%	0.796	S	S	*	*			trans	85.5	151.6	174.4	-164.3	0	0	0	0	115.6
16	T	32.8	Very low	31.8	Very low	111 Å²	111	145.5 Å²	145.5	68%	0.681	80%	0.796	S	S	*	*				-177.9	173.3	-51.5	-67.6	0	0	0	0	106
17	F	30.4	Very low	31.7	Very low	185 Å²	185	147.2 Å²	147.2	81%	0.811	80%	0.799	S	S	*	*			trans	79.7	140.1	172.7	-73.1	-99.2	0	0	0	116.5
18	V	30.8	Very low	31.7	Very low	109 Å²	109	140.2 Å²	140.2	66%	0.661	79%	0.792	S	S	*	*			cis	-159.6	154.5	-17.3	88.7	0	0	0	0	113.3
19	L	31.2	Very low	31.6	Very low	142 Å²	142	134.7 Å²	134.7	74%	0.743	79%	0.787	S	S	*	*			trans	25	135.9	155.4	-72.7	162.2	0	0	0	124.2
20	L	28.1	Very low	31.6	Very low	141 Å²	141	134.9 Å²	134.9	74%	0.738	79%	0.788	S	S	*	*				100	129	129.8	-85	165.6	0	0	0	123.5
21	L	29.9	Very low	31.5	Very low	160 Å²	160	137.8 Å²	137.8	84%	0.838	79%	0.792	S	S	*	*			trans	90.8	150.8	149.1	-68.4	171.3	0	0	0	122.8
22	A	29.8	Very low	31.4	Very low	103 Å²	103	135.1 Å²	135.1	85%	0.851	79%	0.789	S	S	*	*			trans	75.5	132.4	170	0	0	0	0	0	119.8
23	A	34.4	Very low	31.6	Very low	91 Å²	91	132.9 Å²	132.9	75%	0.752	79%	0.789	S	S	*	*			trans	-99.7	156.7	163.7	0	0	0	0	0	109.5
24	P	38.9	Very low	31.5	Very low	131 Å²	131	127.4 Å²	127.4	85%	0.851	79%	0.786	S	S	*	*				-128	-178	81	11.4	11.7	0	0	0	111.8
25	G	29.6	Very low	31.3	Very low	58 Å²	58	133.8 Å²	133.8	60%	0.598	80%	0.797	S	S	*	*			cis	136.3	122.4	0.1	0	0	0	0	0	111.6
26	S	27.9	Very low	31.1	Very low	117 Å²	117	133 Å²	133	82%	0.818	80%	0.796	S	S	*	*			trans	66.6	153.3	-178.1	83.1	0	0	0	0	115.5
27	L	30.9	Very low	31	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	80%	0.799	S	S	*	*			cis	-129.8	158.9	1.5	-75.6	166.4	0	0	0	110.7
28	A	32.1	Very low	31	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	80%	0.801	S	S	*	*			trans	-131	148.4	166.2	0	0	0	0	0	110.3
29	P	35.8	Very low	31.1	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	81%	0.813	S	S	*	*			trans	-77.7	158.7	-174.2	31.8	-35.7	0	0	0	113.5
30	L	29.1	Very low	31.1	Very low	177 Å²	177	135.4 Å²	135.4	93%	0.927	81%	0.811	S	S	*	*			trans	-69.8	142.8	-171	-64.1	89.5	0	0	0	113.6
31	Q	31.3	Very low	31.7	Very low	191 Å²	191	135.2 Å²	135.2	89%	0.893	82%	0.818	S	S	*	*			trans	-111	129	154.8	-66.7	-175.5	-0	0	0	108.5	A33	Q31-A33 PolarHBondContact O-N 2.62Å
32	S	30.8	Very low	32	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	82%	0.819	S	S	*	*			trans	-82.3	94.8	179.9	53.5	0	0	0	0	110.7
33	A	32.8	Very low	32.5	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	82%	0.818	S	S	*	*			trans	-70.4	137.3	176.2	0	0	0	0	0	112.4	Q31	Q31-A33 PolarHBondContact O-N 2.62Å
34	S	30.5	Very low	32.5	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	83%	0.826	S	S	*	*			trans	-70.4	133.2	174.1	51.8	0	0	0	0	111.9	S36	S34-S36 PolarHBondContact O-N 2.92Å
35	W	28.3	Very low	32.6	Very low	258 Å²	258	135.7 Å²	135.7	98%	0.977	82%	0.818	S	S	*	*			trans	-70.5	114.1	173.5	-79.7	12.3	0	0	0	112.2
36	S	28.6	Very low	33.1	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	83%	0.83	S	S	*	*			trans	-102.8	103.6	159.3	52.1	0	0	0	0	109	S34 E38	S34-S36 PolarHBondContact O-N 2.92Å; S36-E38 PolarHBondContact O-N 2.68Å
37	S	30.1	Very low	34.6	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	83%	0.833	S	S	*	*			trans	-85.3	95.6	178.2	52.6	0	0	0	0	110.9
38	E	29.1	Very low	35.3	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	83%	0.825	S	S	*	*			trans	-99	111	179.5	-169.9	166	-164.8	0	0	110	S36	S36-E38 PolarHBondContact O-N 2.68Å
39	W	33.8	Very low	36.1	Very low	243 Å²	243	142 Å²	142	92%	0.92	83%	0.833	S	S	*	*			trans	-112.9	124.5	177.7	-76.7	69.4	0	0	0	109.6
40	G	31.1	Very low	36.6	Very low	68 Å²	68	142.2 Å²	142.2	70%	0.701	83%	0.834	S	S	*	*			trans	-72.5	163	-179.4	0	0	0	0	0	113.7
41	P	41.8	Very low	37.6	Very low	137 Å²	137	138.2 Å²	138.2	89%	0.89	83%	0.827	S	S	*	*			trans	-79.7	138.5	-177.8	32.5	-34.4	0	0	0	112.3
42	S	34.4	Very low	38.7	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	83%	0.828	S	S	*	*			trans	-109.8	139.2	156.8	50.5	0	0	0	0	109.4
43	S	40.6	Very low	39.8	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	82%	0.824	S	S	*	*			trans	-92.9	124.9	-177.1	54.3	0	0	0	0	111.4
44	D	35.6	Very low	40.9	Very low	170 Å²	170	146.2 Å²	146.2	91%	0.909	83%	0.831	S	S	*	*			trans	-151.8	154.4	146	-138.7	-26.6	0	0	0	111
45	A	40.1	Very low	42	Very low	84 Å²	84	152 Å²	152	69%	0.694	84%	0.835	S	S	*	*			trans	-135.3	125	-166.7	0	0	0	0	0	113.9
46	S	40.3	Very low	43.5	Very low	122 Å²	122	147.6 Å²	147.6	85%	0.853	83%	0.826	S	S	*	*			trans	-156	144.7	158.3	-85.6	0	0	0	0	111.6
47	P	58.6	Low	45.1	Very low	135 Å²	135	149.6 Å²	149.6	88%	0.877	83%	0.827	S	S	*	*			trans	-94	129.7	-166.7	34.7	-33.7	0	0	0	113.4
48	G	46.8	Very low	46.6	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	82%	0.823	S	S	*	*			trans	-163.2	91.3	-179.7	0	0	0	0	0	116.1
49	R	47.8	Very low	48.5	Very low	243 Å²	243	145.4 Å²	145.4	92%	0.917	80%	0.8	S	S	*	*			trans	65.8	140.9	171.8	-57.9	178.3	169.8	-163.6	-4.8	116.4	A51	R49-A51 PolarHBondContact O-N 3.44Å
50	P	47	Very low	50.5	Low	128 Å²	128	142.7 Å²	142.7	83%	0.831	79%	0.789	S	S	*	*			trans	-72.6	98.6	166.8	30.5	-32.2	0	0	0	109.3	R52	P50-R52 PolarHBondContact O-N 3.23Å; P50-R52 VanDerWaalsContact O-N 3.08Å
51	A	49.5	Very low	53.2	Low	93 Å²	93	140.6 Å²	140.6	77%	0.769	76%	0.762	S	S	*	*			trans	-55	117.7	165	0	0	0	0	0	108.1	R49 A53	R49-A51 PolarHBondContact O-N 3.44Å; A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 3.08Å
52	R	56	Low	55.4	Low	245 Å²	245	138.4 Å²	138.4	93%	0.925	74%	0.74	S	S	*	*			trans	-65.3	89.3	-172.7	-172.3	-178.4	-170.2	179	4.4	109.3	P50 R54	P50-R52 PolarHBondContact O-N 3.23Å; P50-R52 VanDerWaalsContact O-N 3.08Å; R52-R54 PolarHBondContact O-N 3.39Å
53	A	52.4	Low	58.2	Low	95 Å²	95	135.9 Å²	135.9	79%	0.785	71%	0.712	S	S	*	*			trans	-53.6	102.1	-173.8	0	0	0	0	0	109.6	A51 R55	A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 3.08Å; A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.68Å
54	R	56.8	Low	60.7	Low	235 Å²	235	131.3 Å²	131.3	89%	0.887	68%	0.681	S	S	*	*			trans	-70.6	94.7	-179.7	-149.4	177.3	-173.6	-177.7	1.3	105.1	R52 Q56	R52-R54 PolarHBondContact O-N 3.39Å; R54-Q56 PolarHBondContact O-N 2.94Å
55	R	54.4	Low	63.6	Low	234 Å²	234	127.7 Å²	127.7	88%	0.883	68%	0.675	S	S	*	*			trans	-55.2	91.6	167.1	-95	-174.8	166.9	-175.9	-3.7	106.7	A53 L57	A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.68Å; R55-L57 PolarHBondContact O-N 3.04Å
56	Q	59.3	Low	66.3	Low	165 Å²	165	127.2 Å²	127.2	77%	0.771	66%	0.655	S	S	*	*			trans	-64	94.2	160	-75.3	-173.4	-13	0	0	104.7	R54 H58	R54-Q56 PolarHBondContact O-N 2.94Å; Q56-H58 VanDerWaalsContact C-N 3.27Å; Q56-H58 PolarHBondContact O-N 3.46Å
57	L	61.9	Low	69	Low	146 Å²	146	123.7 Å²	123.7	76%	0.764	63%	0.631	S	S	*	*			trans	-55.5	103.9	162.6	-79	163.7	0	0	0	104.9	R55 V59	R55-L57 PolarHBondContact O-N 3.04Å; L57-V59 HydrophobicContact CB-CG2 4.1Å; L57-V59 VanDerWaalsContact O-CG2 3.25Å; L57-V59 WeakPolarHBondContact O-CG2 3.4Å; L57-V59 PolarHBondContact O-N 3Å
58	H	62.3	Low	70.9	Confident	139 Å²	139	120.4 Å²	120.4	64%	0.644	62%	0.621	S	S	*	*			trans	-79.4	67	-175	-160	103.6	0	0	0	107.6	Q56 R60	Q56-H58 VanDerWaalsContact C-N 3.27Å; Q56-H58 PolarHBondContact O-N 3.46Å; H58-R60 PolarHBondContact O-N 3.36Å; H58-R60 VanDerWaalsContact O-N 3.1Å
59	V	67.9	Low	73.3	Confident	60 Å²	60	121.6 Å²	121.6	36%	0.364	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-62.9	117.5	-171.3	-154	0	0	0	0	107.4	L57 R90 N91	L57-V59 HydrophobicContact CB-CG2 4.1Å; L57-V59 VanDerWaalsContact O-CG2 3.25Å; L57-V59 WeakPolarHBondContact O-CG2 3.4Å; L57-V59 PolarHBondContact O-N 3Å; V59-R90 HydrophobicContact CB-CB 4.24Å; V59-R90 HydrophobicContact CG1-CB 3.47Å; V59-R90 VanDerWaalsContact CG1-CB 3.47Å; V59-R90 VanDerWaalsContact CG1-CD 3.45Å; V59-R90 HydrophobicContact CG1-CG 4.14Å; V59-N91 WeakPolarHBondContact O-CB 3.1Å; V59-N91 PolarHBondContact O-ND2 3Å
60	R	75.8	Confident	75.7	Confident	186 Å²	186	112.3 Å²	112.3	70%	0.702	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-87.1	157.6	176.7	-66.8	-173.2	173.9	-167.1	-3.5	109.1	H58	H58-R60 PolarHBondContact O-N 3.36Å; H58-R60 VanDerWaalsContact O-N 3.1Å
61	N	87.2	Confident	78	Confident	24 Å²	24	112.8 Å²	112.8	13%	0.128	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-81.6	129.7	170.4	-63.1	-28.8	0	0	0	107.9	T89 R90 N91 G95 C97	N61-T89 WeakPolarHBondContact OD1-CA 3.15Å; N61-R90 PolarHBondContact OD1-N 3.14Å; N61-N91 PolarHBondContact ND2-O 2.95Å; N61-N91 PolarHBondContact OD1-N 3.45Å; N61-N91 PolarHBondContact OD1-O 2.86Å; N61-G95 PolarHBondContact ND2-O 3.45Å; N61-C97 VanDerWaalsContact C-SG 3.5Å
62	E	88.5	Confident	80.3	Confident	92 Å²	92	109.4 Å²	109.4	43%	0.43	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.8	-165.9	-68.8	171.4	155.1	0	0	110.1	I88 R90 C97	E62-I88 PolarHBondContact N-O 3.08Å; E62-I88 WeakPolarHBondContact O-CA 3.23Å; E62-I88 WeakPolarHBondContact O-CB 3.43Å; E62-I88 PolarHBondContact O-N 3.27Å; E62-R90 IonicContact OE2-CZ 2.87Å; E62-R90 IonicContact OE2-NE 2.94Å; E62-R90 PolarHBondContact OE2-NE 3.3Å; E62-R90 IonicContact OE2-NH2 2.63Å; E62-R90 PolarHBondContact OE2-NH2 2.52Å; E62-R90 VanDerWaalsContact OE2-NH2 3.08Å; E62-C97 VanDerWaalsContact C-SG 3.53Å; E62-C97 PolarHBondContact O-SG 2.98Å
63	W	93.6	Very high	82.2	Confident	68 Å²	68	100.1 Å²	100.1	26%	0.258	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.7	172.4	-75.8	113.4	0	0	0	110.8	R85 C87 C97 A98 G99 P101	W63-R85 HydrophobicContact CD2-CG 4.09Å; W63-R85 HydrophobicContact CE3-CB 4.16Å; W63-R85 HydrophobicContact CE3-CG 3.48Å; W63-R85 VanDerWaalsContact CE3-CG 3.48Å; W63-R85 VanDerWaalsContact CG-NH1 3.35Å; W63-R85 HydrophobicContact CZ3-CG 3.81Å; W63-C87 HydrophobicContact CE3-CB 4.28Å; W63-C87 HydrophobicContact CH2-CB 4.43Å; W63-C87 HydrophobicContact CZ3-CB 3.98Å; W63-C97 HydrophobicContact CD2-CB 3.71Å; W63-C97 HydrophobicContact CE3-CB 4.18Å; W63-C97 HydrophobicContact CG-CB 4.23Å; W63-C97 HydrophobicContact CH2-CB 3.97Å; W63-C97 HydrophobicContact CZ2-CB 3.46Å; W63-C97 VanDerWaalsContact CZ2-CB 3.46Å; W63-C97 VanDerWaalsContact CZ2-O 3.31Å; W63-C97 WeakPolarHBondContact CZ2-O 3.49Å; W63-C97 HydrophobicContact CZ3-CB 4.31Å; W63-A98 PolarHBondContact NE1-O 3.17Å; W63-G99 VanDerWaalsContact CZ2-O 3.26Å; W63-G99 WeakPolarHBondContact CZ2-O 3.29Å; W63-P101 HydrophobicContact CH2-CB 3.85Å; W63-P101 HydrophobicContact CZ3-CB 4.02Å
64	A	93.7	Very high	84.2	Confident	23 Å²	23	97.1 Å²	97.1	19%	0.19	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-61	162.7	162.6	0	0	0	0	0	110.8	T86 I88	A64-T86 VanDerWaalsContact CB-O 3.3Å; A64-T86 WeakPolarHBondContact CB-O 3.35Å; A64-T86 WeakPolarHBondContact CB-OG1 3.38Å; A64-T86 PolarHBondContact N-O 3.3Å; A64-I88 HydrophobicContact CB-CD1 3.98Å; A64-I88 HydrophobicContact CB-CG1 4.03Å
65	A	95.3	Very high	85.9	Confident	94 Å²	94	91.1 Å²	91.1	78%	0.777	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-55.4	145.1	168.9	0	0	0	0	0	110.8
66	W	96.9	Very high	87.8	Confident	74 Å²	74	81.2 Å²	81.2	28%	0.28	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-62.6	143.2	173.1	-72.6	106	0	0	0	111.2	R83 R85 Q103	W66-R83 HydrophobicContact CD2-CG 4.18Å; W66-R83 HydrophobicContact CE3-CB 4.46Å; W66-R83 HydrophobicContact CE3-CG 3.66Å; W66-R83 HydrophobicContact CZ3-CG 4.18Å; W66-R85 HydrophobicContact CD2-CB 4.16Å; W66-R85 HydrophobicContact CD2-CG 4.15Å; W66-R85 HydrophobicContact CE3-CB 3.81Å; W66-R85 HydrophobicContact CE3-CG 3.73Å; W66-R85 HydrophobicContact CH2-CG 3.8Å; W66-R85 HydrophobicContact CZ2-CG 4.22Å; W66-R85 VanDerWaalsContact CZ2-NE 3.33Å; W66-R85 HydrophobicContact CZ3-CB 4.13Å; W66-R85 HydrophobicContact CZ3-CG 3.55Å; W66-Q103 HydrophobicContact CH2-CB 3.52Å; W66-Q103 HydrophobicContact CZ2-CB 4.05Å; W66-Q103 HydrophobicContact CZ3-CB 3.8Å
67	S	97.4	Very high	89.1	Confident	49 Å²	49	74.9 Å²	74.9	34%	0.343	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60	166.4	166.9	75	0	0	0	0	111.7	R83 T84	S67-R83 WeakPolarHBondContact OG-CA 3.11Å; S67-R83 WeakPolarHBondContact OG-CB 3.49Å; S67-T84 WeakPolarHBondContact CB-O 3.44Å; S67-T84 PolarHBondContact N-O 2.84Å; S67-T84 PolarHBondContact OG-N 3.13Å; S67-T84 PolarHBondContact OG-O 3.36Å
68	G	97.6	Very high	90.6	Very high	65 Å²	65	68.2 Å²	68.2	67%	0.67	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-55.7	156.3	157	0	0	0	0	0	111.3
69	W	97.8	Very high	92.1	Very high	95 Å²	95	61.6 Å²	61.6	36%	0.36	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69.3	143.2	171.4	-68.1	104	0	0	0	110.6	S81 R83 Q103 K105 I195	W69-S81 WeakPolarHBondContact CZ3-O 3.04Å; W69-R83 HydrophobicContact CD2-CB 4.09Å; W69-R83 HydrophobicContact CD2-CG 4.13Å; W69-R83 HydrophobicContact CE3-CB 3.77Å; W69-R83 HydrophobicContact CE3-CG 3.79Å; W69-R83 HydrophobicContact CH2-CG 3.67Å; W69-R83 VanDerWaalsContact CZ2-CD 3.45Å; W69-R83 HydrophobicContact CZ2-CG 4.04Å; W69-R83 VanDerWaalsContact CZ2-NE 3.32Å; W69-R83 HydrophobicContact CZ3-CB 4.03Å; W69-R83 HydrophobicContact CZ3-CG 3.56Å; W69-Q103 HydrophobicContact CH2-CG 4.24Å; W69-Q103 WeakPolarHBondContact CZ3-O 3.07Å; W69-K105 HydrophobicContact CE3-CB 4.05Å; W69-K105 HydrophobicContact CH2-CB 3.54Å; W69-K105 HydrophobicContact CH2-CG 4.45Å; W69-K105 HydrophobicContact CZ2-CB 3.99Å; W69-K105 HydrophobicContact CZ2-CD 4.16Å; W69-K105 HydrophobicContact CZ2-CG 4.49Å; W69-K105 HydrophobicContact CZ3-CB 3.55Å; W69-I195 HydrophobicContact CH2-CD1 3.72Å; W69-I195 HydrophobicContact CZ2-CD1 3.88Å
70	S	97.5	Very high	93.4	Very high	48 Å²	48	59 Å²	59	34%	0.336	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.1	162.1	168.5	74.5	0	0	0	0	111.5	C72 S81 V82	S70-C72 PolarHBondContact O-N 2.96Å; S70-S81 PolarHBondContact O-OG 2.93Å; S70-S81 WeakPolarHBondContact OG-CA 3.48Å; S70-V82 WeakPolarHBondContact CB-O 3.49Å; S70-V82 PolarHBondContact N-O 3.31Å; S70-V82 PolarHBondContact OG-N 3.36Å
71	V	97.1	Very high	94.4	Very high	138 Å²	138	50.7 Å²	50.7	84%	0.836	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-50.3	141.7	157.8	-175.1	0	0	0	0	109
72	C	96.8	Very high	94.9	Very high	23 Å²	23	51.4 Å²	51.4	16%	0.155	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.6	137.4	177.8	-170.3	0	0	0	0	110.4	S70 R74 S81 C107 N108	S70-C72 PolarHBondContact O-N 2.96Å; C72-R74 PolarHBondContact O-N 3.27Å; C72-R74 VanDerWaalsContact O-N 3.15Å; C72-R74 PolarHBondContact SG-O 3.25Å; C72-S81 WeakPolarHBondContact CA-OG 3.44Å; C72-S81 PolarHBondContact N-OG 3.31Å; C72-C107 VanDerWaalsContact CA-SG 3.56Å; C72-C107 HydrophobicContact CB-CB 3.81Å; C72-C107 WeakPolarHBondContact CB-SG 3.49Å; C72-C107 WeakPolarHBondContact SG-CB 3.47Å; C72-C107 CovalentContact SG-SG 2.02Å; C72-C107 PolarHBondContact SG-SG 2.86Å; C72-N108 WeakPolarHBondContact CB-ND2 3.17Å
73	S	95.9	Very high	95.3	Very high	50 Å²	50	49.9 Å²	49.9	35%	0.35	31%	0.314	S	S	.	.	S	Bend	trans	-65.4	-16.2	-178.5	66.9	0	0	0	0	115	A80 D170	S73-A80 PolarHBondContact N-O 3.41Å; S73-A80 PolarHBondContact OG-N 3.49Å; S73-A80 PolarHBondContact OG-O 2.72Å; S73-D170 WeakPolarHBondContact CB-O 3.39Å; S73-D170 PolarHBondContact OG-O 3.02Å
74	R	93.8	Very high	95.4	Very high	32 Å²	32	49.7 Å²	49.7	12%	0.121	32%	0.32	C	S	.	.			trans	-137.4	150.3	177.8	-62.2	174.8	66.4	-154.6	1.2	110.9	C72 G77 G78 N108 F119 G171	C72-R74 PolarHBondContact O-N 3.27Å; C72-R74 VanDerWaalsContact O-N 3.15Å; C72-R74 PolarHBondContact SG-O 3.25Å; R74-G77 PolarHBondContact NH1-O 3.04Å; R74-G78 PolarHBondContact NH1-O 3.49Å; R74-N108 WeakPolarHBondContact O-CB 3.41Å; R74-N108 PolarHBondContact O-ND2 3.15Å; R74-F119 HydrophobicContact CG-CD1 4.25Å; R74-F119 HydrophobicContact CG-CD2 4.08Å; R74-F119 HydrophobicContact CG-CE1 3.95Å; R74-F119 HydrophobicContact CG-CE2 3.8Å; R74-F119 HydrophobicContact CG-CG 4.3Å; R74-F119 HydrophobicContact CG-CZ 3.72Å; R74-G171 WeakPolarHBondContact CD-O 3.48Å; R74-G171 PolarHBondContact NH1-O 3.22Å
75	S	93.8	Very high	95.5	Very high	108 Å²	108	51.1 Å²	51.1	76%	0.755	32%	0.321	S	S	*	.	S	Bend	trans	-84.4	-19.3	176.3	52.4	0	0	0	0	113.9
76	C	93.1	Very high	95.5	Very high	26 Å²	26	51.3 Å²	51.3	18%	0.176	31%	0.313	C	S	.	.	S	Bend	trans	-154	171.9	179.4	62.5	0	0	0	0	110.8	G78 N108 C112	C76-G78 VanDerWaalsContact C-N 3.27Å; C76-G78 PolarHBondContact O-N 3.42Å; C76-N108 CarbonylContact C-O 3.55Å; C76-N108 VanDerWaalsContact C-O 3.29Å; C76-N108 WeakPolarHBondContact CA-O 3.3Å; C76-C112 HydrophobicContact CB-CB 3.96Å; C76-C112 WeakPolarHBondContact CB-SG 3.29Å; C76-C112 VanDerWaalsContact SG-CA 3.51Å; C76-C112 WeakPolarHBondContact SG-CB 3.27Å; C76-C112 CovalentContact SG-SG 2.04Å; C76-C112 PolarHBondContact SG-SG 3.13Å
77	G	88.2	Confident	95.2	Very high	32 Å²	32	49.7 Å²	49.7	33%	0.33	31%	0.312	S	S	.	.	S	Bend	trans	71.9	14.6	171.1	0	0	0	0	0	115.2	R74 N108 K110 C112	R74-G77 PolarHBondContact NH1-O 3.04Å; G77-N108 PolarHBondContact N-O 3.31Å; G77-K110 PolarHBondContact N-O 3.45Å; G77-C112 PolarHBondContact N-SG 2.83Å
78	G	91.7	Very high	94.9	Very high	6 Å²	6	50.5 Å²	50.5	6%	0.062	31%	0.312	C	S	.	.			trans	81	103.1	-176.2	0	0	0	0	0	112.7	R74 C76 C107 N108 G171	R74-G78 PolarHBondContact NH1-O 3.49Å; C76-G78 VanDerWaalsContact C-N 3.27Å; C76-G78 PolarHBondContact O-N 3.42Å; G78-C107 WeakPolarHBondContact CA-O 3.46Å; G78-N108 PolarHBondContact N-O 3.23Å; G78-G171 VanDerWaalsContact O-O 3.04Å
79	G	94	Very high	94.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-178.4	168.5	0	0	0	0	0	112	I106 C107	G79-I106 WeakPolarHBondContact O-CA 3.25Å; G79-I106 WeakPolarHBondContact O-CD1 3.25Å; G79-C107 PolarHBondContact N-O 2.82Å; G79-C107 PolarHBondContact O-N 3.46Å; G79-C107 PolarHBondContact O-SG 3.36Å
80	A	96.1	Very high	93.5	Very high	5 Å²	5	53.8 Å²	53.8	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.6	175.4	0	0	0	0	0	111.8	S73 K105 D170 V183 L196	S73-A80 PolarHBondContact N-O 3.41Å; S73-A80 PolarHBondContact OG-N 3.49Å; S73-A80 PolarHBondContact OG-O 2.72Å; A80-K105 WeakPolarHBondContact CA-O 3.48Å; A80-D170 HydrophobicContact CB-CB 4.48Å; A80-V183 HydrophobicContact CB-CG1 3.43Å; A80-V183 VanDerWaalsContact CB-CG1 3.43Å; A80-L196 HydrophobicContact CB-CD1 4.05Å
81	S	96.9	Very high	92.6	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.7	163.4	-81	0	0	0	0	108.8	W69 S70 C72 Y104 K105 C107	W69-S81 WeakPolarHBondContact CZ3-O 3.04Å; S70-S81 PolarHBondContact O-OG 2.93Å; S70-S81 WeakPolarHBondContact OG-CA 3.48Å; C72-S81 WeakPolarHBondContact CA-OG 3.44Å; C72-S81 PolarHBondContact N-OG 3.31Å; S81-Y104 CarbonylContact O-C 3.59Å; S81-Y104 VanDerWaalsContact O-CA 3.31Å; S81-Y104 WeakPolarHBondContact O-CA 3.16Å; S81-K105 PolarHBondContact N-O 2.96Å; S81-K105 PolarHBondContact O-N 2.77Å; S81-C107 PolarHBondContact N-SG 3.08Å; S81-C107 VanDerWaalsContact N-SG 3.36Å; S81-C107 PolarHBondContact OG-SG 3.47Å
82	V	96.6	Very high	91.3	Very high	40 Å²	40	52.4 Å²	52.4	24%	0.242	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.6	176.1	64.9	0	0	0	0	110.8	S70 R102 Q103 Y104	S70-V82 WeakPolarHBondContact CB-O 3.49Å; S70-V82 PolarHBondContact N-O 3.31Å; S70-V82 PolarHBondContact OG-N 3.36Å; V82-R102 HydrophobicContact CG2-CB 4.43Å; V82-Q103 CarbonylContact C-O 3.29Å; V82-Q103 WeakPolarHBondContact CA-O 3.37Å; V82-Y104 HydrophobicContact CB-CD1 3.71Å; V82-Y104 HydrophobicContact CB-CE1 3.78Å; V82-Y104 HydrophobicContact CG2-CD1 3.72Å; V82-Y104 HydrophobicContact CG2-CE1 3.47Å; V82-Y104 VanDerWaalsContact CG2-CE1 3.47Å; V82-Y104 HydrophobicContact CG2-CG 4.47Å
83	R	97.2	Very high	90.3	Very high	59 Å²	59	57.7 Å²	57.7	22%	0.223	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.4	161.7	68.4	179.5	-177.6	171	-5.1	110.3	W66 S67 W69 R102 Q103	W66-R83 HydrophobicContact CD2-CG 4.18Å; W66-R83 HydrophobicContact CE3-CB 4.46Å; W66-R83 HydrophobicContact CE3-CG 3.66Å; W66-R83 HydrophobicContact CZ3-CG 4.18Å; S67-R83 WeakPolarHBondContact OG-CA 3.11Å; S67-R83 WeakPolarHBondContact OG-CB 3.49Å; W69-R83 HydrophobicContact CD2-CB 4.09Å; W69-R83 HydrophobicContact CD2-CG 4.13Å; W69-R83 HydrophobicContact CE3-CB 3.77Å; W69-R83 HydrophobicContact CE3-CG 3.79Å; W69-R83 HydrophobicContact CH2-CG 3.67Å; W69-R83 VanDerWaalsContact CZ2-CD 3.45Å; W69-R83 HydrophobicContact CZ2-CG 4.04Å; W69-R83 VanDerWaalsContact CZ2-NE 3.32Å; W69-R83 HydrophobicContact CZ3-CB 4.03Å; W69-R83 HydrophobicContact CZ3-CG 3.56Å; R83-R102 WeakPolarHBondContact O-CA 3.22Å; R83-Q103 HydrophobicContact CG-CB 4.22Å; R83-Q103 VanDerWaalsContact CZ-OE1 3.29Å; R83-Q103 PolarHBondContact N-O 3.45Å; R83-Q103 PolarHBondContact O-N 3.37Å
84	T	96.7	Very high	89.1	Confident	65 Å²	65	57.7 Å²	57.7	40%	0.399	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.5	-174.5	66.3	0	0	0	0	111.5	S67 P101 R102	S67-T84 WeakPolarHBondContact CB-O 3.44Å; S67-T84 PolarHBondContact N-O 2.84Å; S67-T84 PolarHBondContact OG-N 3.13Å; S67-T84 PolarHBondContact OG-O 3.36Å; T84-P101 CarbonylContact C-O 3.43Å; T84-P101 VanDerWaalsContact CA-O 3.3Å; T84-P101 WeakPolarHBondContact CA-O 3.4Å; T84-R102 HydrophobicContact CG2-CG 4.2Å
85	R	95.6	Very high	88.3	Confident	52 Å²	52	57.9 Å²	57.9	20%	0.196	36%	0.355	C	S	.	.			trans	-143.7	145.9	172.7	56.6	177.9	179.2	173.6	0.4	109.6	W63 W66 D100 P101	W63-R85 HydrophobicContact CD2-CG 4.09Å; W63-R85 HydrophobicContact CE3-CB 4.16Å; W63-R85 HydrophobicContact CE3-CG 3.48Å; W63-R85 VanDerWaalsContact CE3-CG 3.48Å; W63-R85 VanDerWaalsContact CG-NH1 3.35Å; W63-R85 HydrophobicContact CZ3-CG 3.81Å; W66-R85 HydrophobicContact CD2-CB 4.16Å; W66-R85 HydrophobicContact CD2-CG 4.15Å; W66-R85 HydrophobicContact CE3-CB 3.81Å; W66-R85 HydrophobicContact CE3-CG 3.73Å; W66-R85 HydrophobicContact CH2-CG 3.8Å; W66-R85 HydrophobicContact CZ2-CG 4.22Å; W66-R85 VanDerWaalsContact CZ2-NE 3.33Å; W66-R85 HydrophobicContact CZ3-CB 4.13Å; W66-R85 HydrophobicContact CZ3-CG 3.55Å; R85-D100 VanDerWaalsContact CZ-O 3.27Å; R85-D100 PolarHBondContact NE-O 3.41Å; R85-D100 PolarHBondContact NH2-O 3.24Å; R85-P101 PolarHBondContact N-O 2.04Å
86	T	93.9	Very high	87.7	Confident	99 Å²	99	58.5 Å²	58.5	61%	0.607	36%	0.357	S	S	*	.			trans	-96.7	147.9	174.9	48.5	0	0	0	0	110.6	A64	A64-T86 VanDerWaalsContact CB-O 3.3Å; A64-T86 WeakPolarHBondContact CB-O 3.35Å; A64-T86 WeakPolarHBondContact CB-OG1 3.38Å; A64-T86 PolarHBondContact N-O 3.3Å
87	C	92.3	Very high	87.5	Confident	39 Å²	39	57.9 Å²	57.9	26%	0.264	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.7	170.6	179.7	0	0	0	0	109	W63 T89 C97	W63-C87 HydrophobicContact CE3-CB 4.28Å; W63-C87 HydrophobicContact CH2-CB 4.43Å; W63-C87 HydrophobicContact CZ3-CB 3.98Å; C87-T89 PolarHBondContact O-N 3.01Å; C87-C97 WeakPolarHBondContact CA-SG 3.25Å; C87-C97 HydrophobicContact CB-CB 3.71Å; C87-C97 WeakPolarHBondContact CB-SG 3.25Å; C87-C97 WeakPolarHBondContact SG-CB 3.49Å; C87-C97 PolarHBondContact SG-N 3.1Å; C87-C97 CovalentContact SG-SG 2.04Å; C87-C97 PolarHBondContact SG-SG 3.12Å
88	I	89.7	Confident	87.5	Confident	67 Å²	67	60.7 Å²	60.7	34%	0.344	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	92.5	174.1	-54.5	177	0	0	0	107.1	E62 A64 R90	E62-I88 PolarHBondContact N-O 3.08Å; E62-I88 WeakPolarHBondContact O-CA 3.23Å; E62-I88 WeakPolarHBondContact O-CB 3.43Å; E62-I88 PolarHBondContact O-N 3.27Å; A64-I88 HydrophobicContact CB-CD1 3.98Å; A64-I88 HydrophobicContact CB-CG1 4.03Å; I88-R90 HydrophobicContact CG2-CG 4.07Å; I88-R90 PolarHBondContact O-N 2.89Å; I88-R90 VanDerWaalsContact O-N 3.12Å
89	T	85.2	Confident	87.3	Confident	90 Å²	90	63.1 Å²	63.1	55%	0.552	40%	0.398	S	S	*	.			trans	-70.9	103.6	175.9	-53.5	0	0	0	0	109.9	N61 C87	N61-T89 WeakPolarHBondContact OD1-CA 3.15Å; C87-T89 PolarHBondContact O-N 3.01Å
90	R	81.9	Confident	87.1	Confident	139 Å²	139	68.8 Å²	68.8	53%	0.525	43%	0.428	S	S	.	.	S	Bend	trans	-99.7	-17.5	173.1	-57.5	-174.7	-174.4	-84.8	9.6	112.9	V59 N61 E62 I88	V59-R90 HydrophobicContact CB-CB 4.24Å; V59-R90 HydrophobicContact CG1-CB 3.47Å; V59-R90 VanDerWaalsContact CG1-CB 3.47Å; V59-R90 VanDerWaalsContact CG1-CD 3.45Å; V59-R90 HydrophobicContact CG1-CG 4.14Å; N61-R90 PolarHBondContact OD1-N 3.14Å; E62-R90 IonicContact OE2-CZ 2.87Å; E62-R90 IonicContact OE2-NE 2.94Å; E62-R90 PolarHBondContact OE2-NE 3.3Å; E62-R90 IonicContact OE2-NH2 2.63Å; E62-R90 PolarHBondContact OE2-NH2 2.52Å; E62-R90 VanDerWaalsContact OE2-NH2 3.08Å; I88-R90 HydrophobicContact CG2-CG 4.07Å; I88-R90 PolarHBondContact O-N 2.89Å; I88-R90 VanDerWaalsContact O-N 3.12Å
91	N	78.6	Confident	87	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.214	45%	0.446	C	S	.	.			trans	-136.1	109.3	177.7	174.5	3.6	0	0	0	109.3	V59 N61 V93 G94	V59-N91 WeakPolarHBondContact O-CB 3.1Å; V59-N91 PolarHBondContact O-ND2 3Å; N61-N91 PolarHBondContact ND2-O 2.95Å; N61-N91 PolarHBondContact OD1-N 3.45Å; N61-N91 PolarHBondContact OD1-O 2.86Å; N91-V93 PolarHBondContact O-N 3.25Å; N91-V93 WeakPolarHBondContact OD1-CB 3.44Å; N91-V93 PolarHBondContact OD1-N 2.87Å; N91-G94 PolarHBondContact O-N 2.81Å; N91-G94 VanDerWaalsContact O-N 3.09Å
92	P	69.5	Low	86.9	Confident	117 Å²	117	77.3 Å²	77.3	76%	0.76	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.1	-177	28	-34.9	0	0	0	113.5	G94	P92-G94 VanDerWaalsContact C-N 3.34Å
93	V	76.1	Confident	86.8	Confident	134 Å²	134	77.7 Å²	77.7	81%	0.812	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-80.5	-18.5	177	-167.5	0	0	0	0	111.7	N91 G95	N91-V93 PolarHBondContact O-N 3.25Å; N91-V93 WeakPolarHBondContact OD1-CB 3.44Å; N91-V93 PolarHBondContact OD1-N 2.87Å; V93-G95 VanDerWaalsContact C-N 3.3Å; V93-G95 PolarHBondContact O-N 3.09Å
94	G	70.6	Confident	86.8	Confident	49 Å²	49	76.2 Å²	76.2	51%	0.505	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-78.6	0.8	-172	0	0	0	0	0	116.6	N91 P92	N91-G94 PolarHBondContact O-N 2.81Å; N91-G94 VanDerWaalsContact O-N 3.09Å; P92-G94 VanDerWaalsContact C-N 3.34Å
95	G	76.4	Confident	86.8	Confident	36 Å²	36	76.6 Å²	76.6	37%	0.371	46%	0.456	S	S	.	.			trans	68	-179.4	-175.6	0	0	0	0	0	114.4	N61 V93	N61-G95 PolarHBondContact ND2-O 3.45Å; V93-G95 VanDerWaalsContact C-N 3.3Å; V93-G95 PolarHBondContact O-N 3.09Å
96	P	81.4	Confident	86.8	Confident	121 Å²	121	74.9 Å²	74.9	79%	0.786	45%	0.45	S	S	*	.	S	Bend	trans	-68.1	155	174.8	29.9	-34.9	0	0	0	111.8
97	C	88.8	Confident	86.9	Confident	14 Å²	14	71.2 Å²	71.2	10%	0.095	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-60.3	138.2	175.2	-61.4	0	0	0	0	111.1	N61 E62 W63 C87	N61-C97 VanDerWaalsContact C-SG 3.5Å; E62-C97 VanDerWaalsContact C-SG 3.53Å; E62-C97 PolarHBondContact O-SG 2.98Å; W63-C97 HydrophobicContact CD2-CB 3.71Å; W63-C97 HydrophobicContact CE3-CB 4.18Å; W63-C97 HydrophobicContact CG-CB 4.23Å; W63-C97 HydrophobicContact CH2-CB 3.97Å; W63-C97 HydrophobicContact CZ2-CB 3.46Å; W63-C97 VanDerWaalsContact CZ2-CB 3.46Å; W63-C97 VanDerWaalsContact CZ2-O 3.31Å; W63-C97 WeakPolarHBondContact CZ2-O 3.49Å; W63-C97 HydrophobicContact CZ3-CB 4.31Å; C87-C97 WeakPolarHBondContact CA-SG 3.25Å; C87-C97 HydrophobicContact CB-CB 3.71Å; C87-C97 WeakPolarHBondContact CB-SG 3.25Å; C87-C97 WeakPolarHBondContact SG-CB 3.49Å; C87-C97 PolarHBondContact SG-N 3.1Å; C87-C97 CovalentContact SG-SG 2.04Å; C87-C97 PolarHBondContact SG-SG 3.12Å
98	A	87.8	Confident	87	Confident	91 Å²	91	73 Å²	73	75%	0.752	44%	0.436	S	S	*	.	S	Bend	trans	-74.8	139.8	-175.8	0	0	0	0	0	113.4	W63	W63-A98 PolarHBondContact NE1-O 3.17Å
99	G	87.8	Confident	87	Confident	57 Å²	57	74.5 Å²	74.5	59%	0.588	45%	0.448	S	S	*	.	S	Bend	trans	90.9	178.1	-178.1	0	0	0	0	0	113.8	W63	W63-G99 VanDerWaalsContact CZ2-O 3.26Å; W63-G99 WeakPolarHBondContact CZ2-O 3.29Å
100	D	90.3	Very high	87.3	Confident	119 Å²	119	78.7 Å²	78.7	64%	0.636	46%	0.459	S	S	*	.			trans	-74.8	141.8	-171.2	-68	-71.4	0	0	0	114.2	R85 R102	R85-D100 VanDerWaalsContact CZ-O 3.27Å; R85-D100 PolarHBondContact NE-O 3.41Å; R85-D100 PolarHBondContact NH2-O 3.24Å; D100-R102 VanDerWaalsContact C-N 3.28Å; D100-R102 WeakPolarHBondContact CB-O 3.08Å
101	P	93.4	Very high	87.7	Confident	65 Å²	65	78.6 Å²	78.6	42%	0.422	47%	0.473	S	S	.	.	S	Bend	trans	-80	-8.2	171.5	33	-35.4	0	0	0	113.2	W63 T84 R85	W63-P101 HydrophobicContact CH2-CB 3.85Å; W63-P101 HydrophobicContact CZ3-CB 4.02Å; T84-P101 CarbonylContact C-O 3.43Å; T84-P101 VanDerWaalsContact CA-O 3.3Å; T84-P101 WeakPolarHBondContact CA-O 3.4Å; R85-P101 PolarHBondContact N-O 2.04Å
102	R	94.6	Very high	88.3	Confident	130 Å²	130	78 Å²	78	49%	0.491	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.2	177.6	-63.1	-169.4	173.3	-172.6	-0.3	110.1	V82 R83 T84 D100 Y104	V82-R102 HydrophobicContact CG2-CB 4.43Å; R83-R102 WeakPolarHBondContact O-CA 3.22Å; T84-R102 HydrophobicContact CG2-CG 4.2Å; D100-R102 VanDerWaalsContact C-N 3.28Å; D100-R102 WeakPolarHBondContact CB-O 3.08Å; R102-Y104 HydrophobicContact CB-CE2 4.15Å; R102-Y104 VanDerWaalsContact CD-OH 3.24Å; R102-Y104 WeakPolarHBondContact CD-OH 3.38Å; R102-Y104 PolarHBondContact NH1-OH 2.85Å
103	Q	95.8	Very high	89.5	Confident	49 Å²	49	77 Å²	77	23%	0.229	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143	168.2	-172.9	177.5	51.8	0	0	109.1	W66 W69 V82 R83 I195	W66-Q103 HydrophobicContact CH2-CB 3.52Å; W66-Q103 HydrophobicContact CZ2-CB 4.05Å; W66-Q103 HydrophobicContact CZ3-CB 3.8Å; W69-Q103 HydrophobicContact CH2-CG 4.24Å; W69-Q103 WeakPolarHBondContact CZ3-O 3.07Å; V82-Q103 CarbonylContact C-O 3.29Å; V82-Q103 WeakPolarHBondContact CA-O 3.37Å; R83-Q103 HydrophobicContact CG-CB 4.22Å; R83-Q103 VanDerWaalsContact CZ-OE1 3.29Å; R83-Q103 PolarHBondContact N-O 3.45Å; R83-Q103 PolarHBondContact O-N 3.37Å; Q103-I195 HydrophobicContact CG-CD1 4.31Å; Q103-I195 HydrophobicContact CG-CG2 3.81Å
104	Y	96.6	Very high	90.2	Very high	27 Å²	27	79.5 Å²	79.5	11%	0.106	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.4	-177.7	-54.4	-92.5	0	0	0	110.4	S81 V82 R102 V183 L196	S81-Y104 CarbonylContact O-C 3.59Å; S81-Y104 VanDerWaalsContact O-CA 3.31Å; S81-Y104 WeakPolarHBondContact O-CA 3.16Å; V82-Y104 HydrophobicContact CB-CD1 3.71Å; V82-Y104 HydrophobicContact CB-CE1 3.78Å; V82-Y104 HydrophobicContact CG2-CD1 3.72Å; V82-Y104 HydrophobicContact CG2-CE1 3.47Å; V82-Y104 VanDerWaalsContact CG2-CE1 3.47Å; V82-Y104 HydrophobicContact CG2-CG 4.47Å; R102-Y104 HydrophobicContact CB-CE2 4.15Å; R102-Y104 VanDerWaalsContact CD-OH 3.24Å; R102-Y104 WeakPolarHBondContact CD-OH 3.38Å; R102-Y104 PolarHBondContact NH1-OH 2.85Å; Y104-V183 HydrophobicContact CD1-CB 3.97Å; Y104-V183 HydrophobicContact CD1-CG1 3.94Å; Y104-V183 HydrophobicContact CD1-CG2 4.45Å; Y104-V183 HydrophobicContact CD2-CB 4.44Å; Y104-V183 HydrophobicContact CD2-CG2 4.12Å; Y104-V183 HydrophobicContact CE1-CB 4.24Å; Y104-V183 HydrophobicContact CG-CB 4.1Å; Y104-V183 HydrophobicContact CG-CG1 4.17Å; Y104-V183 HydrophobicContact CG-CG2 4.06Å; Y104-L196 PolarHBondContact O-N 3.43Å
105	K	96	Very high	91.1	Very high	74 Å²	74	81.2 Å²	81.2	32%	0.322	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.4	179.2	-168.3	-169	179.7	-176.4	0	110.1	W69 A80 S81 S194 I195	W69-K105 HydrophobicContact CE3-CB 4.05Å; W69-K105 HydrophobicContact CH2-CB 3.54Å; W69-K105 HydrophobicContact CH2-CG 4.45Å; W69-K105 HydrophobicContact CZ2-CB 3.99Å; W69-K105 HydrophobicContact CZ2-CD 4.16Å; W69-K105 HydrophobicContact CZ2-CG 4.49Å; W69-K105 HydrophobicContact CZ3-CB 3.55Å; A80-K105 WeakPolarHBondContact CA-O 3.48Å; S81-K105 PolarHBondContact N-O 2.96Å; S81-K105 PolarHBondContact O-N 2.77Å; K105-S194 WeakPolarHBondContact CA-O 3.44Å; K105-S194 VanDerWaalsContact CE-CB 3.43Å; K105-S194 WeakPolarHBondContact CG-O 3.31Å; K105-I195 HydrophobicContact CB-CD1 4.17Å; K105-I195 HydrophobicContact CG-CD1 4.13Å
106	I	95.8	Very high	91.7	Very high	15 Å²	15	82.4 Å²	82.4	8%	0.077	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.4	169.9	-162	78.6	0	0	0	110	G79 T109 V181 P190 S194 L196	G79-I106 WeakPolarHBondContact O-CA 3.25Å; G79-I106 WeakPolarHBondContact O-CD1 3.25Å; I106-T109 HydrophobicContact CG1-CG2 3.65Å; I106-T109 HydrophobicContact CG2-CG2 4.26Å; I106-V181 HydrophobicContact CD1-CB 4.45Å; I106-V181 HydrophobicContact CD1-CG1 3.79Å; I106-V181 HydrophobicContact CD1-CG2 3.76Å; I106-P190 HydrophobicContact CB-CB 4.25Å; I106-P190 HydrophobicContact CG2-CB 3.89Å; I106-P190 HydrophobicContact CG2-CG 4.36Å; I106-S194 PolarHBondContact N-O 2.71Å; I106-L196 HydrophobicContact CB-CD2 4.22Å; I106-L196 HydrophobicContact CD1-CD2 4.28Å
107	C	95.4	Very high	92.1	Very high	22 Å²	22	82.4 Å²	82.4	15%	0.149	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	161.1	-178.8	49.9	0	0	0	0	110.8	C72 G78 G79 S81 T109	C72-C107 VanDerWaalsContact CA-SG 3.56Å; C72-C107 HydrophobicContact CB-CB 3.81Å; C72-C107 WeakPolarHBondContact CB-SG 3.49Å; C72-C107 WeakPolarHBondContact SG-CB 3.47Å; C72-C107 CovalentContact SG-SG 2.02Å; C72-C107 PolarHBondContact SG-SG 2.86Å; G78-C107 WeakPolarHBondContact CA-O 3.46Å; G79-C107 PolarHBondContact N-O 2.82Å; G79-C107 PolarHBondContact O-N 3.46Å; G79-C107 PolarHBondContact O-SG 3.36Å; S81-C107 PolarHBondContact N-SG 3.08Å; S81-C107 VanDerWaalsContact N-SG 3.36Å; S81-C107 PolarHBondContact OG-SG 3.47Å; C107-T109 VanDerWaalsContact C-N 3.31Å; C107-T109 PolarHBondContact O-N 3.27Å
108	N	94.4	Very high	92.2	Very high	78 Å²	78	85.8 Å²	85.8	42%	0.417	50%	0.5	S	S	.	.			trans	49.1	46.8	177	-63.3	-18.5	0	0	0	114.5	C72 R74 C76 G77 G78 K110	C72-N108 WeakPolarHBondContact CB-ND2 3.17Å; R74-N108 WeakPolarHBondContact O-CB 3.41Å; R74-N108 PolarHBondContact O-ND2 3.15Å; C76-N108 CarbonylContact C-O 3.55Å; C76-N108 VanDerWaalsContact C-O 3.29Å; C76-N108 WeakPolarHBondContact CA-O 3.3Å; G77-N108 PolarHBondContact N-O 3.31Å; G78-N108 PolarHBondContact N-O 3.23Å; N108-K110 PolarHBondContact O-N 2.87Å
109	T	91.6	Very high	92.5	Very high	98 Å²	98	83.1 Å²	83.1	60%	0.601	47%	0.472	S	S	*	.			trans	-71.1	-4.1	-177.5	50.2	0	0	0	0	115.1	I106 C107 V111	I106-T109 HydrophobicContact CG1-CG2 3.65Å; I106-T109 HydrophobicContact CG2-CG2 4.26Å; C107-T109 VanDerWaalsContact C-N 3.31Å; C107-T109 PolarHBondContact O-N 3.27Å; T109-V111 PolarHBondContact O-N 3.2Å
110	K	91.3	Very high	92.8	Very high	178 Å²	178	80.9 Å²	80.9	77%	0.774	45%	0.445	S	S	*	.	S	Bend	trans	-62.1	133.1	173.9	-66.3	-178.4	178.5	-179.8	0	109.8	G77 N108	G77-K110 PolarHBondContact N-O 3.45Å; N108-K110 PolarHBondContact O-N 2.87Å
111	V	89.6	Confident	93	Very high	137 Å²	137	77.4 Å²	77.4	83%	0.83	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-54.6	139.8	177.9	-171.8	0	0	0	0	110.2	T109	T109-V111 PolarHBondContact O-N 3.2Å
112	C	90.8	Very high	93.1	Very high	26 Å²	26	77.5 Å²	77.5	18%	0.176	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-67.4	157.3	176.8	-67.2	0	0	0	0	111.9	C76 G77 S116	C76-C112 HydrophobicContact CB-CB 3.96Å; C76-C112 WeakPolarHBondContact CB-SG 3.29Å; C76-C112 VanDerWaalsContact SG-CA 3.51Å; C76-C112 WeakPolarHBondContact SG-CB 3.27Å; C76-C112 CovalentContact SG-SG 2.04Å; C76-C112 PolarHBondContact SG-SG 3.13Å; G77-C112 PolarHBondContact N-SG 2.83Å; C112-S116 VanDerWaalsContact CB-OG 3.24Å; C112-S116 WeakPolarHBondContact CB-OG 3.45Å
113	P	94.8	Very high	93.2	Very high	97 Å²	97	71.7 Å²	71.7	63%	0.63	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-57	147.3	175.4	-24.1	34.9	0	0	0	112.5	G115 S116	P113-G115 PolarHBondContact O-N 3.23Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.14Å; P113-S116 PolarHBondContact O-OG 3.2Å; P113-S116 VanDerWaalsContact O-OG 3.13Å
114	L	91.7	Very high	93.2	Very high	186 Å²	186	69.4 Å²	69.4	97%	0.974	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	130.9	174.8	-65	175.7	0	0	0	110.3
115	G	89.2	Confident	93.1	Very high	86 Å²	86	69.3 Å²	69.3	89%	0.887	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	5	-174.8	0	0	0	0	0	115.1	P113	P113-G115 PolarHBondContact O-N 3.23Å
116	S	89.4	Confident	93.1	Very high	61 Å²	61	68 Å²	68	43%	0.427	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.2	133.7	166.1	64.6	0	0	0	0	111	C112 P113	C112-S116 VanDerWaalsContact CB-OG 3.24Å; C112-S116 WeakPolarHBondContact CB-OG 3.45Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.14Å; P113-S116 PolarHBondContact O-OG 3.2Å; P113-S116 VanDerWaalsContact O-OG 3.13Å
117	E	88.8	Confident	93	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-57.3	144.8	168.7	-169	177.2	-157	0	0	111	M122	E117-M122 HydrophobicContact CG-CB 4.19Å
118	D	91.1	Very high	93	Very high	84 Å²	84	71 Å²	71	45%	0.449	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-69.3	143.8	173.3	175.9	-102.9	0	0	0	111	R120 E121 M122	D118-R120 VanDerWaalsContact C-N 3.3Å; D118-R120 PolarHBondContact O-N 2.75Å; D118-R120 WeakPolarHBondContact OD1-CA 3.46Å; D118-R120 VanDerWaalsContact OD1-CB 3.24Å; D118-R120 WeakPolarHBondContact OD1-CB 3.27Å; D118-R120 PolarHBondContact OD1-N 2.88Å; D118-E121 HydrophobicContact CB-CB 3.96Å; D118-E121 PolarHBondContact O-N 2.94Å; D118-E121 PolarHBondContact OD1-N 2.69Å; D118-E121 VanDerWaalsContact OD1-N 3.14Å; D118-M122 WeakPolarHBondContact O-CB 3.28Å; D118-M122 PolarHBondContact O-N 2.87Å
119	F	93.3	Very high	92.8	Very high	35 Å²	35	72.3 Å²	72.3	15%	0.154	42%	0.415	C	S	.	.	H	α-helix	trans	-70.3	-25.2	-174	-169.3	-110	0	0	0	113.3	R74 M122 Q123 L169 T172	R74-F119 HydrophobicContact CG-CD1 4.25Å; R74-F119 HydrophobicContact CG-CD2 4.08Å; R74-F119 HydrophobicContact CG-CE1 3.95Å; R74-F119 HydrophobicContact CG-CE2 3.8Å; R74-F119 HydrophobicContact CG-CG 4.3Å; R74-F119 HydrophobicContact CG-CZ 3.72Å; F119-M122 HydrophobicContact CD2-CE 3.59Å; F119-M122 HydrophobicContact CE2-CE 3.55Å; F119-M122 HydrophobicContact CG-CE 4.41Å; F119-M122 HydrophobicContact CZ-CE 4.35Å; F119-Q123 WeakPolarHBondContact O-CG 3.05Å; F119-Q123 PolarHBondContact O-NE2 3.36Å; F119-L169 HydrophobicContact CE1-CB 3.94Å; F119-L169 HydrophobicContact CZ-CB 4.14Å; F119-L169 HydrophobicContact CZ-CD1 4.09Å; F119-T172 HydrophobicContact CD1-CG2 4.39Å; F119-T172 WeakPolarHBondContact CD1-OG1 3.36Å; F119-T172 WeakPolarHBondContact CE1-OG1 3.32Å
120	R	94.3	Very high	92.8	Very high	10 Å²	10	74.2 Å²	74.2	4%	0.038	41%	0.412	C	S	.	.	H	α-helix	trans	-84.2	-36.4	172.6	-165.5	-168.6	-70.1	-114	-4.1	111.2	D118 Q123 C124 T142 P149 E151 L152 V168 T172 A173	D118-R120 VanDerWaalsContact C-N 3.3Å; D118-R120 PolarHBondContact O-N 2.75Å; D118-R120 WeakPolarHBondContact OD1-CA 3.46Å; D118-R120 VanDerWaalsContact OD1-CB 3.24Å; D118-R120 WeakPolarHBondContact OD1-CB 3.27Å; D118-R120 PolarHBondContact OD1-N 2.88Å; R120-Q123 WeakPolarHBondContact O-CB 3.41Å; R120-Q123 PolarHBondContact O-N 2.92Å; R120-Q123 VanDerWaalsContact O-N 3.16Å; R120-C124 PolarHBondContact O-N 2.8Å; R120-C124 VanDerWaalsContact O-N 3.09Å; R120-T142 HydrophobicContact CB-CG2 3.76Å; R120-T142 HydrophobicContact CG-CG2 3.62Å; R120-P149 VanDerWaalsContact CZ-O 3.3Å; R120-P149 PolarHBondContact NH1-O 2.85Å; R120-P149 PolarHBondContact NH2-O 2.74Å; R120-E151 PolarHBondContact NH1-O 2.04Å; R120-L152 HydrophobicContact CG-CD1 4.31Å; R120-V168 HydrophobicContact CG-CG1 4.39Å; R120-T172 HydrophobicContact CB-CG2 3.87Å; R120-T172 HydrophobicContact CG-CG2 4.18Å; R120-A173 PolarHBondContact NH2-O 3.08Å
121	E	94.9	Very high	92.6	Very high	46 Å²	46	70.2 Å²	70.2	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-59.2	-48	173.8	-167	68.1	-170.7	0	0	111.3	D118 Q123 C124 A125 T141 T142	D118-E121 HydrophobicContact CB-CB 3.96Å; D118-E121 PolarHBondContact O-N 2.94Å; D118-E121 PolarHBondContact OD1-N 2.69Å; D118-E121 VanDerWaalsContact OD1-N 3.14Å; E121-Q123 PolarHBondContact O-N 2.94Å; E121-C124 WeakPolarHBondContact O-CB 3.29Å; E121-C124 PolarHBondContact O-N 3.02Å; E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.72Å; E121-T141 VanDerWaalsContact CD-OG1 3.28Å; E121-T141 VanDerWaalsContact OE1-CA 3.29Å; E121-T141 WeakPolarHBondContact OE1-CA 3.35Å; E121-T141 VanDerWaalsContact OE1-CB 3.24Å; E121-T141 WeakPolarHBondContact OE1-CB 3.26Å; E121-T141 PolarHBondContact OE1-OG1 3.35Å; E121-T141 PolarHBondContact OE2-OG1 2.99Å; E121-T142 HydrophobicContact CB-CG2 4.33Å; E121-T142 VanDerWaalsContact OE2-CB 3.29Å; E121-T142 WeakPolarHBondContact OE2-CB 3.5Å; E121-T142 VanDerWaalsContact OE2-CG2 3.27Å; E121-T142 WeakPolarHBondContact OE2-CG2 3.22Å; E121-T142 PolarHBondContact OE2-N 2.66Å; E121-T142 PolarHBondContact OE2-OG1 3.28Å
122	M	95.3	Very high	92.3	Very high	67 Å²	67	65.1 Å²	65.1	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-54.6	-38	173.8	177.6	-84.1	-64.5	0	0	112.7	E117 D118 F119 A125 A126	E117-M122 HydrophobicContact CG-CB 4.19Å; D118-M122 WeakPolarHBondContact O-CB 3.28Å; D118-M122 PolarHBondContact O-N 2.87Å; F119-M122 HydrophobicContact CD2-CE 3.59Å; F119-M122 HydrophobicContact CE2-CE 3.55Å; F119-M122 HydrophobicContact CG-CE 4.41Å; F119-M122 HydrophobicContact CZ-CE 4.35Å; M122-A125 PolarHBondContact O-N 2.76Å; M122-A126 PolarHBondContact O-N 3.02Å
123	Q	96.3	Very high	91.6	Very high	9 Å²	9	71.2 Å²	71.2	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-69.9	-36.5	177.4	-73.1	169.9	70.5	0	0	112.6	F119 R120 E121 F127 L152 V168 L169 T172	F119-Q123 WeakPolarHBondContact O-CG 3.05Å; F119-Q123 PolarHBondContact O-NE2 3.36Å; R120-Q123 WeakPolarHBondContact O-CB 3.41Å; R120-Q123 PolarHBondContact O-N 2.92Å; R120-Q123 VanDerWaalsContact O-N 3.16Å; E121-Q123 PolarHBondContact O-N 2.94Å; Q123-F127 VanDerWaalsContact O-CD2 3.32Å; Q123-F127 WeakPolarHBondContact O-CD2 3.07Å; Q123-L152 HydrophobicContact CB-CD1 3.65Å; Q123-L152 HydrophobicContact CB-CD2 3.89Å; Q123-L152 HydrophobicContact CB-CG 4.46Å; Q123-V168 VanDerWaalsContact OE1-CA 3.29Å; Q123-L169 HydrophobicContact CG-CD1 3.96Å; Q123-L169 HydrophobicContact CG-CG 4.25Å; Q123-T172 PolarHBondContact NE2-OG1 3.2Å
124	C	95.8	Very high	90.6	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-45.3	170	-70.6	0	0	0	0	111.1	R120 E121 A126 F127 W140 C154	R120-C124 PolarHBondContact O-N 2.8Å; R120-C124 VanDerWaalsContact O-N 3.09Å; E121-C124 WeakPolarHBondContact O-CB 3.29Å; E121-C124 PolarHBondContact O-N 3.02Å; C124-A126 PolarHBondContact O-N 2.04Å; C124-F127 PolarHBondContact O-N 2.96Å; C124-W140 HydrophobicContact CB-CB 4.06Å; C124-C154 WeakPolarHBondContact CA-SG 3.41Å; C124-C154 HydrophobicContact CB-CB 3.79Å; C124-C154 WeakPolarHBondContact CB-SG 3.02Å; C124-C154 WeakPolarHBondContact SG-CB 3.49Å; C124-C154 CovalentContact SG-SG 2.04Å; C124-C154 PolarHBondContact SG-SG 2.79Å
125	A	96	Very high	89.9	Confident	26 Å²	26	64.4 Å²	64.4	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-27.5	-179.3	0	0	0	0	0	113.1	E121 M122 F127 N128	E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.72Å; M122-A125 PolarHBondContact O-N 2.76Å; A125-F127 PolarHBondContact O-N 3.03Å; A125-F127 VanDerWaalsContact O-N 3.15Å; A125-N128 WeakPolarHBondContact CA-ND2 3.5Å; A125-N128 WeakPolarHBondContact O-CB 3.48Å; A125-N128 VanDerWaalsContact O-CG 3.22Å; A125-N128 PolarHBondContact O-N 2.81Å; A125-N128 PolarHBondContact O-ND2 2.74Å
126	A	95.4	Very high	89.7	Confident	46 Å²	46	65.1 Å²	65.1	38%	0.38	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.1	172.5	0	0	0	0	0	113.8	M122 C124 R130	M122-A126 PolarHBondContact O-N 3.02Å; C124-A126 PolarHBondContact O-N 2.04Å; A126-R130 PolarHBondContact O-NE 3.17Å; A126-R130 PolarHBondContact O-NH2 3.3Å
127	F	94.3	Very high	89.7	Confident	61 Å²	61	65.2 Å²	65.2	27%	0.268	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.4	175.5	-64.5	-86.1	0	0	0	114	Q123 C124 A125 D129 R130 W140 L152 F165	Q123-F127 VanDerWaalsContact O-CD2 3.32Å; Q123-F127 WeakPolarHBondContact O-CD2 3.07Å; C124-F127 PolarHBondContact O-N 2.96Å; A125-F127 PolarHBondContact O-N 3.03Å; A125-F127 VanDerWaalsContact O-N 3.15Å; F127-D129 PolarHBondContact O-N 2.92Å; F127-R130 PolarHBondContact O-N 2.87Å; F127-W140 PolarHBondContact O-NE1 2.68Å; F127-L152 HydrophobicContact CE2-CD2 3.92Å; F127-F165 HydrophobicContact CB-CE1 4.02Å; F127-F165 HydrophobicContact CB-CE2 4.24Å; F127-F165 HydrophobicContact CB-CZ 3.86Å; F127-F165 AromaticContact CD1-CD1 3.56Å; F127-F165 HydrophobicContact CD1-CD1 3.56Å; F127-F165 AromaticContact CD1-CE1 3.58Å; F127-F165 HydrophobicContact CD1-CE1 3.58Å; F127-F165 HydrophobicContact CD1-CG 4.26Å; F127-F165 HydrophobicContact CD1-CZ 4.29Å; F127-F165 HydrophobicContact CD2-CB 4.33Å; F127-F165 HydrophobicContact CD2-CD1 4.05Å; F127-F165 HydrophobicContact CD2-CD2 4.13Å; F127-F165 HydrophobicContact CD2-CE1 4.38Å; F127-F165 HydrophobicContact CD2-CE2 4.45Å; F127-F165 AromaticContact CD2-CG 3.91Å; F127-F165 HydrophobicContact CD2-CG 3.91Å; F127-F165 AromaticContact CE1-CD1 3.62Å; F127-F165 HydrophobicContact CE1-CD1 3.62Å; F127-F165 HydrophobicContact CE1-CE1 4.11Å; F127-F165 HydrophobicContact CE1-CG 4.25Å; F127-F165 HydrophobicContact CE2-CB 3.85Å; F127-F165 HydrophobicContact CE2-CD1 4.12Å; F127-F165 HydrophobicContact CE2-CD2 4.49Å; F127-F165 AromaticContact CE2-CG 3.91Å; F127-F165 HydrophobicContact CE2-CG 3.91Å; F127-F165 AromaticContact CG-CD1 3.78Å; F127-F165 HydrophobicContact CG-CD1 3.78Å; F127-F165 HydrophobicContact CG-CD2 4.35Å; F127-F165 AromaticContact CG-CE1 3.73Å; F127-F165 HydrophobicContact CG-CE1 3.73Å; F127-F165 HydrophobicContact CG-CE2 4.31Å; F127-F165 HydrophobicContact CG-CG 4.1Å; F127-F165 HydrophobicContact CG-CZ 4Å; F127-F165 HydrophobicContact CZ-CB 3.95Å; F127-F165 AromaticContact CZ-CD1 3.91Å; F127-F165 HydrophobicContact CZ-CD1 3.91Å; F127-F165 HydrophobicContact CZ-CG 4.08Å
128	N	94.4	Very high	89.9	Confident	40 Å²	40	61 Å²	61	21%	0.214	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.3	174.9	-74.7	-22.1	0	0	0	111.3	A125 R130 R139 W140	A125-N128 WeakPolarHBondContact CA-ND2 3.5Å; A125-N128 WeakPolarHBondContact O-CB 3.48Å; A125-N128 VanDerWaalsContact O-CG 3.22Å; A125-N128 PolarHBondContact O-N 2.81Å; A125-N128 PolarHBondContact O-ND2 2.74Å; N128-R130 PolarHBondContact O-N 2.94Å; N128-R139 HydrophobicContact CB-CG 4.44Å; N128-R139 VanDerWaalsContact OD1-CA 3.3Å; N128-R139 WeakPolarHBondContact OD1-CA 3.31Å; N128-W140 PolarHBondContact OD1-N 3.01Å
129	D	90.7	Very high	90.1	Very high	104 Å²	104	64 Å²	64	56%	0.556	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	7.9	172.4	-50	-54.1	0	0	0	114.8	F127 S137 F138 R139	F127-D129 PolarHBondContact O-N 2.92Å; D129-S137 WeakPolarHBondContact O-CB 3.36Å; D129-F138 PolarHBondContact N-O 2.73Å; D129-R139 WeakPolarHBondContact OD1-CG 3.27Å
130	R	90.4	Very high	90.2	Very high	139 Å²	139	62.5 Å²	62.5	53%	0.525	35%	0.349	S	S	.	.			trans	-79.1	137.2	167.8	-55.9	-168.7	-166.8	-147.4	4.6	110	A126 F127 N128 S137	A126-R130 PolarHBondContact O-NE 3.17Å; A126-R130 PolarHBondContact O-NH2 3.3Å; F127-R130 PolarHBondContact O-N 2.87Å; N128-R130 PolarHBondContact O-N 2.94Å; R130-S137 WeakPolarHBondContact O-CA 3.23Å; R130-S137 WeakPolarHBondContact O-CB 3.46Å
131	P	87.1	Confident	90.3	Very high	94 Å²	94	63.5 Å²	63.5	61%	0.61	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-70.3	136.2	174.8	29.4	-34.1	0	0	0	110.8	G135	P131-G135 WeakPolarHBondContact CB-O 3.09Å
132	L	84.8	Confident	90.2	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.157	36%	0.357	C	S	.	.			trans	-76.4	174.4	164.5	-95.5	59.1	0	0	0	110.3	S134 G135 N136 W140 Y163	L132-S134 PolarHBondContact O-N 2.89Å; L132-G135 PolarHBondContact O-N 3Å; L132-N136 PolarHBondContact N-O 2.8Å; L132-W140 HydrophobicContact CD1-CH2 4.43Å; L132-W140 HydrophobicContact CD1-CZ2 3.68Å; L132-W140 HydrophobicContact CD2-CH2 4.08Å; L132-W140 HydrophobicContact CD2-CZ2 4.12Å; L132-Y163 HydrophobicContact CD2-CD2 3.99Å; L132-Y163 HydrophobicContact CD2-CE2 4.22Å; L132-Y163 HydrophobicContact CD2-CG 4.31Å
133	V	76.1	Confident	90.1	Very high	153 Å²	153	62.8 Å²	62.8	93%	0.927	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.9	177.1	-175.3	0	0	0	0	112.6	G135	V133-G135 VanDerWaalsContact C-N 3.31Å; V133-G135 PolarHBondContact O-N 3.12Å
134	S	72.3	Confident	89.6	Confident	86 Å²	86	69.1 Å²	69.1	60%	0.601	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	7.8	173.6	51.7	0	0	0	0	114.9	L132 N136	L132-S134 PolarHBondContact O-N 2.89Å; S134-N136 PolarHBondContact O-N 2.96Å; S134-N136 VanDerWaalsContact O-N 3.09Å
135	G	78.2	Confident	89	Confident	54 Å²	54	71.6 Å²	71.6	56%	0.557	41%	0.409	S	S	*	.	S	Bend	trans	79.3	-26.1	179.6	0	0	0	0	0	115.2	P131 L132 V133	P131-G135 WeakPolarHBondContact CB-O 3.09Å; L132-G135 PolarHBondContact O-N 3Å; V133-G135 VanDerWaalsContact C-N 3.31Å; V133-G135 PolarHBondContact O-N 3.12Å
136	N	84	Confident	88.2	Confident	102 Å²	102	71.5 Å²	71.5	55%	0.545	41%	0.41	S	S	.	.			trans	-73.6	137.5	178.6	-67.6	-21.2	0	0	0	111.9	L132 S134 F138	L132-N136 PolarHBondContact N-O 2.8Å; S134-N136 PolarHBondContact O-N 2.96Å; S134-N136 VanDerWaalsContact O-N 3.09Å; N136-F138 HydrophobicContact CB-CE2 3.65Å; N136-F138 HydrophobicContact CB-CZ 3.73Å
137	S	89.8	Confident	87.5	Confident	62 Å²	62	75 Å²	75	43%	0.434	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-102.5	149.9	171	57.2	0	0	0	0	111.4	D129 R130	D129-S137 WeakPolarHBondContact O-CB 3.36Å; R130-S137 WeakPolarHBondContact O-CA 3.23Å; R130-S137 WeakPolarHBondContact O-CB 3.46Å
138	F	93.1	Very high	87.3	Confident	32 Å²	32	73.7 Å²	73.7	14%	0.14	43%	0.43	C	S	.	.			trans	-139.8	162.9	-177.4	-60.1	-83.9	0	0	0	110.9	D129 N136 W140 A156 H159 F161	D129-F138 PolarHBondContact N-O 2.73Å; N136-F138 HydrophobicContact CB-CE2 3.65Å; N136-F138 HydrophobicContact CB-CZ 3.73Å; F138-W140 HydrophobicContact CB-CH2 4.41Å; F138-W140 HydrophobicContact CB-CZ2 3.79Å; F138-W140 HydrophobicContact CD2-CH2 4.45Å; F138-W140 HydrophobicContact CD2-CZ2 4.09Å; F138-W140 HydrophobicContact CG-CZ2 4.32Å; F138-W140 PolarHBondContact O-NE1 3.49Å; F138-A156 HydrophobicContact CB-CB 4.4Å; F138-A156 HydrophobicContact CD1-CB 4.46Å; F138-A156 HydrophobicContact CG-CB 4.49Å; F138-H159 AromaticContact CD1-CD2 3.68Å; F138-H159 AromaticContact CD1-NE2 3.62Å; F138-H159 AromaticContact CE1-CD2 3.9Å; F138-H159 AromaticContact CE1-NE2 3.61Å; F138-F161 HydrophobicContact CD1-CZ 4.15Å; F138-F161 HydrophobicContact CD2-CZ 4.18Å; F138-F161 HydrophobicContact CE1-CE1 4.19Å; F138-F161 AromaticContact CE1-CZ 3.89Å; F138-F161 HydrophobicContact CE1-CZ 3.89Å; F138-F161 AromaticContact CE2-CZ 3.93Å; F138-F161 HydrophobicContact CE2-CZ 3.93Å; F138-F161 HydrophobicContact CG-CZ 4.29Å; F138-F161 HydrophobicContact CZ-CE1 4.31Å; F138-F161 AromaticContact CZ-CZ 3.78Å; F138-F161 HydrophobicContact CZ-CZ 3.78Å
139	R	95.4	Very high	87.2	Confident	149 Å²	149	74.8 Å²	74.8	56%	0.562	44%	0.44	S	S	*	.			trans	-102.1	142.4	165.9	-67.4	-177.7	59.3	-155.7	-4.6	110	N128 D129 L157	N128-R139 HydrophobicContact CB-CG 4.44Å; N128-R139 VanDerWaalsContact OD1-CA 3.3Å; N128-R139 WeakPolarHBondContact OD1-CA 3.31Å; D129-R139 WeakPolarHBondContact OD1-CG 3.27Å; R139-L157 HydrophobicContact CB-CD1 4.09Å; R139-L157 PolarHBondContact O-N 2.92Å
140	W	95.8	Very high	87.4	Confident	3 Å²	3	69.9 Å²	69.9	1%	0.011	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.3	-165.6	-57.6	96.9	0	0	0	111.9	C124 F127 N128 L132 F138 C154 L155 A156 F161 Y163 F165	C124-W140 HydrophobicContact CB-CB 4.06Å; F127-W140 PolarHBondContact O-NE1 2.68Å; N128-W140 PolarHBondContact OD1-N 3.01Å; L132-W140 HydrophobicContact CD1-CH2 4.43Å; L132-W140 HydrophobicContact CD1-CZ2 3.68Å; L132-W140 HydrophobicContact CD2-CH2 4.08Å; L132-W140 HydrophobicContact CD2-CZ2 4.12Å; F138-W140 HydrophobicContact CB-CH2 4.41Å; F138-W140 HydrophobicContact CB-CZ2 3.79Å; F138-W140 HydrophobicContact CD2-CH2 4.45Å; F138-W140 HydrophobicContact CD2-CZ2 4.09Å; F138-W140 HydrophobicContact CG-CZ2 4.32Å; F138-W140 PolarHBondContact O-NE1 3.49Å; W140-C154 HydrophobicContact CB-CB 4.08Å; W140-C154 HydrophobicContact CD2-CB 4.41Å; W140-C154 HydrophobicContact CE3-CB 3.92Å; W140-L155 WeakPolarHBondContact CA-O 3.02Å; W140-A156 HydrophobicContact CE3-CB 4.15Å; W140-A156 HydrophobicContact CH2-CB 4.24Å; W140-A156 HydrophobicContact CZ3-CB 3.79Å; W140-F161 AromaticContact CH2-CE2 3.98Å; W140-F161 HydrophobicContact CH2-CE2 3.98Å; W140-F161 HydrophobicContact CZ3-CE2 4.3Å; W140-Y163 HydrophobicContact CH2-CG 4.45Å; W140-F165 AromaticContact CD2-CE2 3.98Å; W140-F165 HydrophobicContact CD2-CE2 3.98Å; W140-F165 HydrophobicContact CD2-CZ 4.14Å; W140-F165 AromaticContact CE2-CZ 3.77Å; W140-F165 HydrophobicContact CE3-CE2 4.12Å; W140-F165 HydrophobicContact CG-CE2 4.46Å; W140-F165 HydrophobicContact CH2-CZ 4.24Å; W140-F165 HydrophobicContact CZ2-CE2 4.39Å; W140-F165 AromaticContact CZ2-CZ 3.85Å; W140-F165 HydrophobicContact CZ2-CZ 3.85Å; W140-F165 HydrophobicContact CZ3-CE2 4.38Å
141	T	95.6	Very high	87.6	Confident	31 Å²	31	65.6 Å²	65.6	19%	0.19	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.8	171.1	-168.7	0	0	0	0	110	E121 C154 L155 L157	E121-T141 VanDerWaalsContact CD-OG1 3.28Å; E121-T141 VanDerWaalsContact OE1-CA 3.29Å; E121-T141 WeakPolarHBondContact OE1-CA 3.35Å; E121-T141 VanDerWaalsContact OE1-CB 3.24Å; E121-T141 WeakPolarHBondContact OE1-CB 3.26Å; E121-T141 PolarHBondContact OE1-OG1 3.35Å; E121-T141 PolarHBondContact OE2-OG1 2.99Å; T141-C154 CarbonylContact O-C 3.6Å; T141-C154 WeakPolarHBondContact O-CA 3.04Å; T141-L155 HydrophobicContact CG2-CB 4.01Å; T141-L155 HydrophobicContact CG2-CD2 4.35Å; T141-L155 PolarHBondContact N-O 3.18Å; T141-L155 PolarHBondContact O-N 2.99Å; T141-L157 HydrophobicContact CG2-CD2 3.52Å; T141-L157 HydrophobicContact CG2-CG 4.13Å
142	T	93.8	Very high	88	Confident	37 Å²	37	61.5 Å²	61.5	23%	0.227	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.4	-177.6	33.3	0	0	0	0	114.1	R120 E121	R120-T142 HydrophobicContact CB-CG2 3.76Å; R120-T142 HydrophobicContact CG-CG2 3.62Å; E121-T142 HydrophobicContact CB-CG2 4.33Å; E121-T142 VanDerWaalsContact OE2-CB 3.29Å; E121-T142 WeakPolarHBondContact OE2-CB 3.5Å; E121-T142 VanDerWaalsContact OE2-CG2 3.27Å; E121-T142 WeakPolarHBondContact OE2-CG2 3.22Å; E121-T142 PolarHBondContact OE2-N 2.66Å; E121-T142 PolarHBondContact OE2-OG1 3.28Å
143	F	93	Very high	88.5	Confident	60 Å²	60	60.1 Å²	60.1	26%	0.263	37%	0.365	S	S	.	.			trans	-125.9	119.7	170	-174.1	-113.1	0	0	0	111.5	G145 S153 L155 Y162	F143-G145 VanDerWaalsContact CE1-CA 3.44Å; F143-S153 PolarHBondContact N-O 3.09Å; F143-L155 HydrophobicContact CB-CB 4.24Å; F143-Y162 AromaticContact CD1-CD1 3.93Å; F143-Y162 HydrophobicContact CD1-CD1 3.93Å; F143-Y162 AromaticContact CD1-CD2 3.86Å; F143-Y162 HydrophobicContact CD1-CD2 3.86Å; F143-Y162 HydrophobicContact CD1-CE1 4.38Å; F143-Y162 HydrophobicContact CD1-CE2 4.31Å; F143-Y162 AromaticContact CD1-CG 3.66Å; F143-Y162 HydrophobicContact CD1-CG 3.66Å; F143-Y162 AromaticContact CE1-CD1 3.58Å; F143-Y162 HydrophobicContact CE1-CD1 3.58Å; F143-Y162 HydrophobicContact CE1-CD2 4.15Å; F143-Y162 AromaticContact CE1-CE1 3.72Å; F143-Y162 HydrophobicContact CE1-CE1 3.72Å; F143-Y162 HydrophobicContact CE1-CE2 4.25Å; F143-Y162 AromaticContact CE1-CG 3.82Å; F143-Y162 HydrophobicContact CE1-CG 3.82Å; F143-Y162 HydrophobicContact CG-CG 4.33Å; F143-Y162 HydrophobicContact CZ-CD1 4.1Å; F143-Y162 HydrophobicContact CZ-CE1 4.31Å
144	H	86.4	Confident	89.4	Confident	142 Å²	142	52.9 Å²	52.9	66%	0.657	32%	0.321	S	S	*	.			trans	-95.4	0.2	-177.6	-71.2	-90.2	0	0	0	114.3
145	G	82.1	Confident	90.5	Very high	53 Å²	53	51.4 Å²	51.4	55%	0.546	31%	0.306	S	S	.	.			trans	-90.8	17.2	-179.5	0	0	0	0	0	115.4	F143	F143-G145 VanDerWaalsContact CE1-CA 3.44Å
146	G	79.3	Confident	91.3	Very high	23 Å²	23	48.9 Å²	48.9	24%	0.237	28%	0.28	C	S	.	.	S	Bend	trans	-78.7	164.6	177.3	0	0	0	0	0	113.4	S148	G146-S148 VanDerWaalsContact C-N 3.26Å; G146-S148 PolarHBondContact O-N 2.87Å
147	S	81.5	Confident	91.8	Very high	121 Å²	121	47.9 Å²	47.9	85%	0.846	27%	0.274	S	S	*	.	S	Bend	trans	-65.1	-23.6	-175.6	-56.2	0	0	0	0	114.8
148	S	89.7	Confident	91.9	Very high	33 Å²	33	49 Å²	49	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-134.4	136.1	176.6	178.2	0	0	0	0	110.5	G146 C150 E151	G146-S148 VanDerWaalsContact C-N 3.26Å; G146-S148 PolarHBondContact O-N 2.87Å; S148-C150 PolarHBondContact O-N 3.39Å; S148-C150 VanDerWaalsContact O-N 3.09Å; S148-C150 PolarHBondContact OG-N 2.83Å; S148-E151 WeakPolarHBondContact CB-OE1 3.46Å; S148-E151 PolarHBondContact O-N 3.49Å
149	P	92.3	Very high	91.9	Very high	63 Å²	63	52.1 Å²	52.1	41%	0.409	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.4	177.1	28.7	-35.9	0	0	0	113.3	R120 C174 C187	R120-P149 VanDerWaalsContact CZ-O 3.3Å; R120-P149 PolarHBondContact NH1-O 2.85Å; R120-P149 PolarHBondContact NH2-O 2.74Å; P149-C174 HydrophobicContact CB-CB 4.3Å; P149-C174 VanDerWaalsContact CB-O 3.32Å; P149-C174 WeakPolarHBondContact CB-O 3.44Å; P149-C187 HydrophobicContact CG-CB 4.07Å
150	C	94.7	Very high	91.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	16.2	177.8	-66.4	0	0	0	0	114.6	S148 H167 V168 C182 G185 R186 C187	S148-C150 PolarHBondContact O-N 3.39Å; S148-C150 VanDerWaalsContact O-N 3.09Å; S148-C150 PolarHBondContact OG-N 2.83Å; C150-H167 WeakPolarHBondContact O-CA 3.32Å; C150-H167 PolarHBondContact O-ND1 2.87Å; C150-V168 HydrophobicContact CB-CG2 4.3Å; C150-V168 PolarHBondContact O-N 2.63Å; C150-V168 VanDerWaalsContact O-N 3.12Å; C150-C182 WeakPolarHBondContact CA-SG 3.06Å; C150-C182 HydrophobicContact CB-CB 3.86Å; C150-C182 WeakPolarHBondContact CB-SG 3.01Å; C150-C182 WeakPolarHBondContact SG-CA 3.18Å; C150-C182 WeakPolarHBondContact SG-CB 3.32Å; C150-C182 CovalentContact SG-SG 2.03Å; C150-C182 PolarHBondContact SG-SG 3.48Å; C150-G185 WeakPolarHBondContact CB-O 3.38Å; C150-R186 VanDerWaalsContact SG-C 3.55Å; C150-C187 VanDerWaalsContact SG-CA 3.57Å; C150-C187 PolarHBondContact SG-N 3.1Å
151	E	94.9	Very high	91.4	Very high	49 Å²	49	55.9 Å²	55.9	23%	0.229	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.7	165.4	-74.2	164.3	-145.4	0	0	110.8	R120 S148 S153 N164 G166	R120-E151 PolarHBondContact NH1-O 2.04Å; S148-E151 WeakPolarHBondContact CB-OE1 3.46Å; S148-E151 PolarHBondContact O-N 3.49Å; E151-S153 PolarHBondContact O-N 3.3Å; E151-N164 PolarHBondContact OE2-ND2 3.18Å; E151-G166 CarbonylContact C-O 3.55Å; E151-G166 VanDerWaalsContact CA-O 3.26Å; E151-G166 WeakPolarHBondContact CA-O 3.44Å
152	L	95	Very high	91.3	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	69.9	177	-174.6	56.9	0	0	0	109	R120 Q123 F127 F165 G166 V168	R120-L152 HydrophobicContact CG-CD1 4.31Å; Q123-L152 HydrophobicContact CB-CD1 3.65Å; Q123-L152 HydrophobicContact CB-CD2 3.89Å; Q123-L152 HydrophobicContact CB-CG 4.46Å; F127-L152 HydrophobicContact CE2-CD2 3.92Å; L152-F165 HydrophobicContact CB-CB 4.31Å; L152-F165 HydrophobicContact CD2-CB 3.94Å; L152-F165 HydrophobicContact CG-CB 4.11Å; L152-F165 PolarHBondContact O-N 3.5Å; L152-G166 PolarHBondContact N-O 2.85Å; L152-V168 HydrophobicContact CB-CG1 3.91Å; L152-V168 HydrophobicContact CD1-CG1 4.12Å
153	S	94.9	Very high	91.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.6	171.5	-66.5	0	0	0	0	110.1	F143 E151 Y163	F143-S153 PolarHBondContact N-O 3.09Å; E151-S153 PolarHBondContact O-N 3.3Å; S153-Y163 WeakPolarHBondContact CA-O 3.29Å
154	C	95.3	Very high	91.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.5	-177	-54.7	0	0	0	0	110.8	C124 W140 T141 Y162 Y163 F165	C124-C154 WeakPolarHBondContact CA-SG 3.41Å; C124-C154 HydrophobicContact CB-CB 3.79Å; C124-C154 WeakPolarHBondContact CB-SG 3.02Å; C124-C154 WeakPolarHBondContact SG-CB 3.49Å; C124-C154 CovalentContact SG-SG 2.04Å; C124-C154 PolarHBondContact SG-SG 2.79Å; W140-C154 HydrophobicContact CB-CB 4.08Å; W140-C154 HydrophobicContact CD2-CB 4.41Å; W140-C154 HydrophobicContact CE3-CB 3.92Å; T141-C154 CarbonylContact O-C 3.6Å; T141-C154 WeakPolarHBondContact O-CA 3.04Å; C154-Y162 CarbonylContact O-C 3.5Å; C154-Y162 WeakPolarHBondContact O-CA 3.18Å; C154-Y162 VanDerWaalsContact O-CB 3.31Å; C154-Y162 WeakPolarHBondContact O-CB 3.47Å; C154-Y163 PolarHBondContact N-O 3.23Å; C154-Y163 PolarHBondContact O-N 3.08Å; C154-F165 HydrophobicContact CB-CD2 4.22Å; C154-F165 HydrophobicContact CB-CE2 4.06Å
155	L	95.2	Very high	91.6	Very high	56 Å²	56	58.3 Å²	58.3	29%	0.293	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.5	176.3	-177.8	71.2	0	0	0	110	W140 T141 F143 L157	W140-L155 WeakPolarHBondContact CA-O 3.02Å; T141-L155 HydrophobicContact CG2-CB 4.01Å; T141-L155 HydrophobicContact CG2-CD2 4.35Å; T141-L155 PolarHBondContact N-O 3.18Å; T141-L155 PolarHBondContact O-N 2.99Å; F143-L155 HydrophobicContact CB-CB 4.24Å; L155-L157 PolarHBondContact O-N 3.47Å
156	A	95.1	Very high	92.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	172.6	0	0	0	0	0	110.3	F138 W140 G158 H159 F161	F138-A156 HydrophobicContact CB-CB 4.4Å; F138-A156 HydrophobicContact CD1-CB 4.46Å; F138-A156 HydrophobicContact CG-CB 4.49Å; W140-A156 HydrophobicContact CE3-CB 4.15Å; W140-A156 HydrophobicContact CH2-CB 4.24Å; W140-A156 HydrophobicContact CZ3-CB 3.79Å; A156-G158 PolarHBondContact O-N 2.94Å; A156-H159 HydrophobicContact CB-CB 3.99Å; A156-H159 PolarHBondContact O-N 3.38Å; A156-F161 HydrophobicContact CB-CD1 4.44Å; A156-F161 HydrophobicContact CB-CD2 4.35Å; A156-F161 HydrophobicContact CB-CE1 3.92Å; A156-F161 HydrophobicContact CB-CE2 3.83Å; A156-F161 HydrophobicContact CB-CZ 3.58Å; A156-F161 PolarHBondContact N-O 3.24Å
157	L	94.8	Very high	92.8	Very high	82 Å²	82	62.2 Å²	62.2	43%	0.429	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	128.1	-176.3	-73.4	172.9	0	0	0	111.4	R139 T141 L155 H159	R139-L157 HydrophobicContact CB-CD1 4.09Å; R139-L157 PolarHBondContact O-N 2.92Å; T141-L157 HydrophobicContact CG2-CD2 3.52Å; T141-L157 HydrophobicContact CG2-CG 4.13Å; L155-L157 PolarHBondContact O-N 3.47Å; L157-H159 VanDerWaalsContact C-N 3.27Å; L157-H159 PolarHBondContact O-CD2 3.29Å; L157-H159 VanDerWaalsContact O-CD2 3.31Å
158	G	93.1	Very high	93.5	Very high	86 Å²	86	56.7 Å²	56.7	89%	0.887	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	0.3	-175.4	0	0	0	0	0	114.8	A156	A156-G158 PolarHBondContact O-N 2.94Å
159	H	91.9	Very high	93.8	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.449	32%	0.321	S	S	.	.	S	Bend	trans	-122.8	167.8	-179.8	-58.5	-77.2	0	0	0	112.1	F138 A156 L157 F161	F138-H159 AromaticContact CD1-CD2 3.68Å; F138-H159 AromaticContact CD1-NE2 3.62Å; F138-H159 AromaticContact CE1-CD2 3.9Å; F138-H159 AromaticContact CE1-NE2 3.61Å; A156-H159 HydrophobicContact CB-CB 3.99Å; A156-H159 PolarHBondContact O-N 3.38Å; L157-H159 VanDerWaalsContact C-N 3.27Å; L157-H159 PolarHBondContact O-CD2 3.29Å; L157-H159 VanDerWaalsContact O-CD2 3.31Å; H159-F161 HydrophobicContact CB-CD1 3.74Å; H159-F161 HydrophobicContact CB-CE1 3.58Å; H159-F161 AromaticContact CG-CE1 3.9Å
160	N	89.9	Confident	94	Very high	160 Å²	160	59.2 Å²	59.2	86%	0.856	32%	0.315	S	S	*	.	S	Bend	trans	-103.3	20.2	-175	66.4	-28.2	0	0	0	113.8
161	F	91.9	Very high	93.9	Very high	70 Å²	70	59.2 Å²	59.2	31%	0.307	32%	0.315	S	S	.	.			trans	-129.6	151	179.7	73.4	-87.8	0	0	0	111.6	F138 W140 A156 H159	F138-F161 HydrophobicContact CD1-CZ 4.15Å; F138-F161 HydrophobicContact CD2-CZ 4.18Å; F138-F161 HydrophobicContact CE1-CE1 4.19Å; F138-F161 AromaticContact CE1-CZ 3.89Å; F138-F161 HydrophobicContact CE1-CZ 3.89Å; F138-F161 AromaticContact CE2-CZ 3.93Å; F138-F161 HydrophobicContact CE2-CZ 3.93Å; F138-F161 HydrophobicContact CG-CZ 4.29Å; F138-F161 HydrophobicContact CZ-CE1 4.31Å; F138-F161 AromaticContact CZ-CZ 3.78Å; F138-F161 HydrophobicContact CZ-CZ 3.78Å; W140-F161 AromaticContact CH2-CE2 3.98Å; W140-F161 HydrophobicContact CH2-CE2 3.98Å; W140-F161 HydrophobicContact CZ3-CE2 4.3Å; A156-F161 HydrophobicContact CB-CD1 4.44Å; A156-F161 HydrophobicContact CB-CD2 4.35Å; A156-F161 HydrophobicContact CB-CE1 3.92Å; A156-F161 HydrophobicContact CB-CE2 3.83Å; A156-F161 HydrophobicContact CB-CZ 3.58Å; A156-F161 PolarHBondContact N-O 3.24Å; H159-F161 HydrophobicContact CB-CD1 3.74Å; H159-F161 HydrophobicContact CB-CE1 3.58Å; H159-F161 AromaticContact CG-CE1 3.9Å
162	Y	93.1	Very high	93.9	Very high	111 Å²	111	57 Å²	57	44%	0.435	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	159.2	170.6	70.1	-86.5	0	0	0	110	F143 C154	F143-Y162 AromaticContact CD1-CD1 3.93Å; F143-Y162 HydrophobicContact CD1-CD1 3.93Å; F143-Y162 AromaticContact CD1-CD2 3.86Å; F143-Y162 HydrophobicContact CD1-CD2 3.86Å; F143-Y162 HydrophobicContact CD1-CE1 4.38Å; F143-Y162 HydrophobicContact CD1-CE2 4.31Å; F143-Y162 AromaticContact CD1-CG 3.66Å; F143-Y162 HydrophobicContact CD1-CG 3.66Å; F143-Y162 AromaticContact CE1-CD1 3.58Å; F143-Y162 HydrophobicContact CE1-CD1 3.58Å; F143-Y162 HydrophobicContact CE1-CD2 4.15Å; F143-Y162 AromaticContact CE1-CE1 3.72Å; F143-Y162 HydrophobicContact CE1-CE1 3.72Å; F143-Y162 HydrophobicContact CE1-CE2 4.25Å; F143-Y162 AromaticContact CE1-CG 3.82Å; F143-Y162 HydrophobicContact CE1-CG 3.82Å; F143-Y162 HydrophobicContact CG-CG 4.33Å; F143-Y162 HydrophobicContact CZ-CD1 4.1Å; F143-Y162 HydrophobicContact CZ-CE1 4.31Å; C154-Y162 CarbonylContact O-C 3.5Å; C154-Y162 WeakPolarHBondContact O-CA 3.18Å; C154-Y162 VanDerWaalsContact O-CB 3.31Å; C154-Y162 WeakPolarHBondContact O-CB 3.47Å
163	Y	92.3	Very high	93.8	Very high	102 Å²	102	59 Å²	59	40%	0.4	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.2	173.7	-163.9	-95.7	0	0	0	109.8	L132 W140 S153 C154 F165	L132-Y163 HydrophobicContact CD2-CD2 3.99Å; L132-Y163 HydrophobicContact CD2-CE2 4.22Å; L132-Y163 HydrophobicContact CD2-CG 4.31Å; W140-Y163 HydrophobicContact CH2-CG 4.45Å; S153-Y163 WeakPolarHBondContact CA-O 3.29Å; C154-Y163 PolarHBondContact N-O 3.23Å; C154-Y163 PolarHBondContact O-N 3.08Å; Y163-F165 AromaticContact CD1-CD1 3.78Å; Y163-F165 HydrophobicContact CD1-CD1 3.78Å; Y163-F165 HydrophobicContact CD1-CD2 4.11Å; Y163-F165 AromaticContact CD1-CE1 3.53Å; Y163-F165 HydrophobicContact CD1-CE1 3.53Å; Y163-F165 AromaticContact CD1-CE2 3.89Å; Y163-F165 HydrophobicContact CD1-CE2 3.89Å; Y163-F165 HydrophobicContact CD1-CG 4.07Å; Y163-F165 AromaticContact CD1-CZ 3.6Å; Y163-F165 HydrophobicContact CD1-CZ 3.6Å; Y163-F165 AromaticContact CE1-CD1 3.97Å; Y163-F165 HydrophobicContact CE1-CD1 3.97Å; Y163-F165 AromaticContact CE1-CE1 3.87Å; Y163-F165 HydrophobicContact CE1-CE1 3.87Å; Y163-F165 HydrophobicContact CE1-CZ 4.38Å; Y163-F165 HydrophobicContact CG-CE2 4.49Å; Y163-F165 HydrophobicContact CG-CZ 4.29Å
164	N	93.2	Very high	93.6	Very high	63 Å²	63	59.7 Å²	59.7	34%	0.337	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.5	-179.4	-171	-17.2	0	0	0	109.4	E151 G166	E151-N164 PolarHBondContact OE2-ND2 3.18Å; N164-G166 VanDerWaalsContact C-N 3.33Å; N164-G166 PolarHBondContact OD1-N 2.85Å; N164-G166 PolarHBondContact OD1-O 2.94Å
165	F	93.2	Very high	93.1	Very high	45 Å²	45	62.5 Å²	62.5	20%	0.197	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	13.1	-177.5	-66.7	-77.8	0	0	0	113.4	F127 W140 L152 C154 Y163	F127-F165 HydrophobicContact CB-CE1 4.02Å; F127-F165 HydrophobicContact CB-CE2 4.24Å; F127-F165 HydrophobicContact CB-CZ 3.86Å; F127-F165 AromaticContact CD1-CD1 3.56Å; F127-F165 HydrophobicContact CD1-CD1 3.56Å; F127-F165 AromaticContact CD1-CE1 3.58Å; F127-F165 HydrophobicContact CD1-CE1 3.58Å; F127-F165 HydrophobicContact CD1-CG 4.26Å; F127-F165 HydrophobicContact CD1-CZ 4.29Å; F127-F165 HydrophobicContact CD2-CB 4.33Å; F127-F165 HydrophobicContact CD2-CD1 4.05Å; F127-F165 HydrophobicContact CD2-CD2 4.13Å; F127-F165 HydrophobicContact CD2-CE1 4.38Å; F127-F165 HydrophobicContact CD2-CE2 4.45Å; F127-F165 AromaticContact CD2-CG 3.91Å; F127-F165 HydrophobicContact CD2-CG 3.91Å; F127-F165 AromaticContact CE1-CD1 3.62Å; F127-F165 HydrophobicContact CE1-CD1 3.62Å; F127-F165 HydrophobicContact CE1-CE1 4.11Å; F127-F165 HydrophobicContact CE1-CG 4.25Å; F127-F165 HydrophobicContact CE2-CB 3.85Å; F127-F165 HydrophobicContact CE2-CD1 4.12Å; F127-F165 HydrophobicContact CE2-CD2 4.49Å; F127-F165 AromaticContact CE2-CG 3.91Å; F127-F165 HydrophobicContact CE2-CG 3.91Å; F127-F165 AromaticContact CG-CD1 3.78Å; F127-F165 HydrophobicContact CG-CD1 3.78Å; F127-F165 HydrophobicContact CG-CD2 4.35Å; F127-F165 AromaticContact CG-CE1 3.73Å; F127-F165 HydrophobicContact CG-CE1 3.73Å; F127-F165 HydrophobicContact CG-CE2 4.31Å; F127-F165 HydrophobicContact CG-CG 4.1Å; F127-F165 HydrophobicContact CG-CZ 4Å; F127-F165 HydrophobicContact CZ-CB 3.95Å; F127-F165 AromaticContact CZ-CD1 3.91Å; F127-F165 HydrophobicContact CZ-CD1 3.91Å; F127-F165 HydrophobicContact CZ-CG 4.08Å; W140-F165 AromaticContact CD2-CE2 3.98Å; W140-F165 HydrophobicContact CD2-CE2 3.98Å; W140-F165 HydrophobicContact CD2-CZ 4.14Å; W140-F165 AromaticContact CE2-CZ 3.77Å; W140-F165 HydrophobicContact CE3-CE2 4.12Å; W140-F165 HydrophobicContact CG-CE2 4.46Å; W140-F165 HydrophobicContact CH2-CZ 4.24Å; W140-F165 HydrophobicContact CZ2-CE2 4.39Å; W140-F165 AromaticContact CZ2-CZ 3.85Å; W140-F165 HydrophobicContact CZ2-CZ 3.85Å; W140-F165 HydrophobicContact CZ3-CE2 4.38Å; L152-F165 HydrophobicContact CB-CB 4.31Å; L152-F165 HydrophobicContact CD2-CB 3.94Å; L152-F165 HydrophobicContact CG-CB 4.11Å; L152-F165 PolarHBondContact O-N 3.5Å; C154-F165 HydrophobicContact CB-CD2 4.22Å; C154-F165 HydrophobicContact CB-CE2 4.06Å; Y163-F165 AromaticContact CD1-CD1 3.78Å; Y163-F165 HydrophobicContact CD1-CD1 3.78Å; Y163-F165 HydrophobicContact CD1-CD2 4.11Å; Y163-F165 AromaticContact CD1-CE1 3.53Å; Y163-F165 HydrophobicContact CD1-CE1 3.53Å; Y163-F165 AromaticContact CD1-CE2 3.89Å; Y163-F165 HydrophobicContact CD1-CE2 3.89Å; Y163-F165 HydrophobicContact CD1-CG 4.07Å; Y163-F165 AromaticContact CD1-CZ 3.6Å; Y163-F165 HydrophobicContact CD1-CZ 3.6Å; Y163-F165 AromaticContact CE1-CD1 3.97Å; Y163-F165 HydrophobicContact CE1-CD1 3.97Å; Y163-F165 AromaticContact CE1-CE1 3.87Å; Y163-F165 HydrophobicContact CE1-CE1 3.87Å; Y163-F165 HydrophobicContact CE1-CZ 4.38Å; Y163-F165 HydrophobicContact CG-CE2 4.49Å; Y163-F165 HydrophobicContact CG-CZ 4.29Å
166	G	93.1	Very high	92	Very high	35 Å²	35	66.5 Å²	66.5	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.3	-139.3	178.1	0	0	0	0	0	112.2	E151 L152 N164	E151-G166 CarbonylContact C-O 3.55Å; E151-G166 VanDerWaalsContact CA-O 3.26Å; E151-G166 WeakPolarHBondContact CA-O 3.44Å; L152-G166 PolarHBondContact N-O 2.85Å; N164-G166 VanDerWaalsContact C-N 3.33Å; N164-G166 PolarHBondContact OD1-N 2.85Å; N164-G166 PolarHBondContact OD1-O 2.94Å
167	H	94.9	Very high	90.7	Very high	123 Å²	123	72 Å²	72	57%	0.569	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	145.2	177.7	-68	-50.8	0	0	0	112.4	C150	C150-H167 WeakPolarHBondContact O-CA 3.32Å; C150-H167 PolarHBondContact O-ND1 2.87Å
168	V	95.6	Very high	89.4	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.03	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-69.4	154.7	167.6	-55.9	0	0	0	0	111	R120 Q123 C150 L152 T172 C182	R120-V168 HydrophobicContact CG-CG1 4.39Å; Q123-V168 VanDerWaalsContact OE1-CA 3.29Å; C150-V168 HydrophobicContact CB-CG2 4.3Å; C150-V168 PolarHBondContact O-N 2.63Å; C150-V168 VanDerWaalsContact O-N 3.12Å; L152-V168 HydrophobicContact CB-CG1 3.91Å; L152-V168 HydrophobicContact CD1-CG1 4.12Å; V168-T172 HydrophobicContact CB-CG2 4.02Å; V168-T172 HydrophobicContact CG1-CG2 4.35Å; V168-T172 HydrophobicContact CG2-CG2 3.97Å; V168-C182 HydrophobicContact CG2-CB 3.55Å; V168-C182 WeakPolarHBondContact CG2-SG 3.47Å
169	L	95.4	Very high	88.9	Confident	96 Å²	96	70.1 Å²	70.1	50%	0.503	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.8	145.3	176.3	-64.1	175.2	0	0	0	112.1	F119 Q123 G171 T172	F119-L169 HydrophobicContact CE1-CB 3.94Å; F119-L169 HydrophobicContact CZ-CB 4.14Å; F119-L169 HydrophobicContact CZ-CD1 4.09Å; Q123-L169 HydrophobicContact CG-CD1 3.96Å; Q123-L169 HydrophobicContact CG-CG 4.25Å; L169-G171 PolarHBondContact O-N 3.45Å; L169-T172 WeakPolarHBondContact O-CB 3.15Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 2.97Å
170	D	95.6	Very high	88.9	Confident	53 Å²	53	65.7 Å²	65.7	28%	0.283	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133	175.7	-81	13.7	0	0	0	111	S73 A80 C182 V183 N184	S73-D170 WeakPolarHBondContact CB-O 3.39Å; S73-D170 PolarHBondContact OG-O 3.02Å; A80-D170 HydrophobicContact CB-CB 4.48Å; D170-C182 CarbonylContact C-O 3.5Å; D170-C182 WeakPolarHBondContact CA-O 3.4Å; D170-V183 HydrophobicContact CB-CG1 4.27Å; D170-V183 WeakPolarHBondContact OD1-CA 3Å; D170-N184 PolarHBondContact OD1-N 2.93Å
171	G	93.8	Very high	89.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	0.5	-173.4	0	0	0	0	0	115.3	R74 G78 L169 C182	R74-G171 WeakPolarHBondContact CD-O 3.48Å; R74-G171 PolarHBondContact NH1-O 3.22Å; G78-G171 VanDerWaalsContact O-O 3.04Å; L169-G171 PolarHBondContact O-N 3.45Å; G171-C182 PolarHBondContact N-O 2.85Å
172	T	94.3	Very high	89.3	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.012	32%	0.315	C	S	.	.			trans	-68.5	130.3	169	-53.7	0	0	0	0	110.2	F119 R120 Q123 V168 L169 V181 C182	F119-T172 HydrophobicContact CD1-CG2 4.39Å; F119-T172 WeakPolarHBondContact CD1-OG1 3.36Å; F119-T172 WeakPolarHBondContact CE1-OG1 3.32Å; R120-T172 HydrophobicContact CB-CG2 3.87Å; R120-T172 HydrophobicContact CG-CG2 4.18Å; Q123-T172 PolarHBondContact NE2-OG1 3.2Å; V168-T172 HydrophobicContact CB-CG2 4.02Å; V168-T172 HydrophobicContact CG1-CG2 4.35Å; V168-T172 HydrophobicContact CG2-CG2 3.97Å; L169-T172 WeakPolarHBondContact O-CB 3.15Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 2.97Å; T172-V181 CarbonylContact O-C 3.55Å; T172-V181 VanDerWaalsContact O-CA 3.31Å; T172-V181 WeakPolarHBondContact O-CA 3.42Å; T172-C182 PolarHBondContact O-N 3.01Å
173	A	92.7	Very high	89.4	Confident	51 Å²	51	49.8 Å²	49.8	42%	0.421	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-62.7	140.4	177.3	0	0	0	0	0	111.6	R120 A180	R120-A173 PolarHBondContact NH2-O 3.08Å; A173-A180 WeakPolarHBondContact CA-O 3.26Å
174	C	91.9	Very high	89.3	Confident	16 Å²	16	49.7 Å²	49.7	11%	0.108	30%	0.302	C	S	.	.			trans	-134.7	-4.7	-168.6	65.2	0	0	0	0	116.1	P149 A180 V181 C182 C187	P149-C174 HydrophobicContact CB-CB 4.3Å; P149-C174 VanDerWaalsContact CB-O 3.32Å; P149-C174 WeakPolarHBondContact CB-O 3.44Å; C174-A180 PolarHBondContact N-O 3.08Å; C174-A180 VanDerWaalsContact N-O 3.13Å; C174-A180 VanDerWaalsContact SG-C 3.5Å; C174-V181 PolarHBondContact SG-N 3.2Å; C174-C182 WeakPolarHBondContact CB-SG 3.49Å; C174-C187 HydrophobicContact CB-CB 3.7Å; C174-C187 WeakPolarHBondContact CB-SG 3.32Å; C174-C187 WeakPolarHBondContact SG-CA 3.07Å; C174-C187 WeakPolarHBondContact SG-CB 3.22Å; C174-C187 CovalentContact SG-SG 2.03Å; C174-C187 PolarHBondContact SG-SG 2.86Å
175	D	83.5	Confident	89.3	Confident	59 Å²	59	47.4 Å²	47.4	32%	0.316	29%	0.293	S	S	.	.	S	Bend	trans	-132.3	142.9	175.2	-164.4	-51.1	0	0	0	107.3	E177 A180 K189	D175-E177 PolarHBondContact O-N 2.96Å; D175-E177 VanDerWaalsContact OD1-CB 3.29Å; D175-E177 WeakPolarHBondContact OD1-CB 3.42Å; D175-E177 PolarHBondContact OD1-N 3.08Å; D175-A180 HydrophobicContact CB-CB 3.4Å; D175-A180 VanDerWaalsContact CB-CB 3.4Å; D175-K189 IonicContact OD1-NZ 2.67Å; D175-K189 WeakPolarHBondContact OD2-CE 3.37Å; D175-K189 IonicContact OD2-NZ 3.88Å; D175-K189 PolarHBondContact OD2-NZ 3.41Å
176	P	72.3	Confident	89.3	Confident	141 Å²	141	53.5 Å²	53.5	92%	0.916	32%	0.315	S	S	*	.	S	Bend	trans	-57.4	-26.3	167.7	-25.8	35.8	0	0	0	113.4	A178	P176-A178 PolarHBondContact O-N 3.11Å
177	E	67.5	Low	89.3	Confident	115 Å²	115	54.1 Å²	54.1	54%	0.537	31%	0.313	S	S	.	.	S	Bend	trans	-73.1	122.1	172.3	-168.2	177.3	-131.5	0	0	111.2	D175 G179 K189	D175-E177 PolarHBondContact O-N 2.96Å; D175-E177 VanDerWaalsContact OD1-CB 3.29Å; D175-E177 WeakPolarHBondContact OD1-CB 3.42Å; D175-E177 PolarHBondContact OD1-N 3.08Å; E177-G179 PolarHBondContact O-N 3.42Å; E177-K189 IonicContact OE2-NZ 2.68Å; E177-K189 PolarHBondContact OE2-NZ 2.84Å
178	A	68.6	Low	89.2	Confident	92 Å²	92	49.7 Å²	49.7	76%	0.76	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	122.1	-169.2	0	0	0	0	0	113.5	P176	P176-A178 PolarHBondContact O-N 3.11Å
179	G	81.5	Confident	89.1	Confident	37 Å²	37	53.5 Å²	53.5	38%	0.381	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.5	-14.9	170.2	0	0	0	0	0	115.2	E177 P190	E177-G179 PolarHBondContact O-N 3.42Å; G179-P190 VanDerWaalsContact O-CD 3.26Å; G179-P190 WeakPolarHBondContact O-CD 3.41Å
180	A	92.7	Very high	89.1	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	30%	0.299	C	S	.	.			trans	-71.3	129.4	173.1	0	0	0	0	0	111.2	A173 C174 D175 L188 K189	A173-A180 WeakPolarHBondContact CA-O 3.26Å; C174-A180 PolarHBondContact N-O 3.08Å; C174-A180 VanDerWaalsContact N-O 3.13Å; C174-A180 VanDerWaalsContact SG-C 3.5Å; D175-A180 HydrophobicContact CB-CB 3.4Å; D175-A180 VanDerWaalsContact CB-CB 3.4Å; A180-L188 WeakPolarHBondContact CA-O 3.21Å; A180-K189 HydrophobicContact CB-CD 4.38Å; A180-K189 HydrophobicContact CB-CG 3.56Å
181	V	95.2	Very high	88.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.3	177.5	-64	0	0	0	0	112.4	I106 T172 C174 L188 L196	I106-V181 HydrophobicContact CD1-CB 4.45Å; I106-V181 HydrophobicContact CD1-CG1 3.79Å; I106-V181 HydrophobicContact CD1-CG2 3.76Å; T172-V181 CarbonylContact O-C 3.55Å; T172-V181 VanDerWaalsContact O-CA 3.31Å; T172-V181 WeakPolarHBondContact O-CA 3.42Å; C174-V181 PolarHBondContact SG-N 3.2Å; V181-L188 PolarHBondContact N-O 3.16Å; V181-L188 PolarHBondContact O-N 3.12Å; V181-L196 HydrophobicContact CG2-CD1 3.6Å; V181-L196 HydrophobicContact CG2-CD2 3.68Å; V181-L196 HydrophobicContact CG2-CG 4.32Å
182	C	95.2	Very high	88.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	133.1	167.6	-63.5	0	0	0	0	110.3	C150 V168 D170 G171 T172 C174 R186	C150-C182 WeakPolarHBondContact CA-SG 3.06Å; C150-C182 HydrophobicContact CB-CB 3.86Å; C150-C182 WeakPolarHBondContact CB-SG 3.01Å; C150-C182 WeakPolarHBondContact SG-CA 3.18Å; C150-C182 WeakPolarHBondContact SG-CB 3.32Å; C150-C182 CovalentContact SG-SG 2.03Å; C150-C182 PolarHBondContact SG-SG 3.48Å; V168-C182 HydrophobicContact CG2-CB 3.55Å; V168-C182 WeakPolarHBondContact CG2-SG 3.47Å; D170-C182 CarbonylContact C-O 3.5Å; D170-C182 WeakPolarHBondContact CA-O 3.4Å; G171-C182 PolarHBondContact N-O 2.85Å; T172-C182 PolarHBondContact O-N 3.01Å; C174-C182 WeakPolarHBondContact CB-SG 3.49Å; C182-R186 CarbonylContact C-O 3.41Å; C182-R186 WeakPolarHBondContact CA-O 3.36Å
183	V	94.8	Very high	88.9	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131	161.4	-73.5	0	0	0	0	109.3	A80 Y104 D170 G185 R186 L188 L196	A80-V183 HydrophobicContact CB-CG1 3.43Å; A80-V183 VanDerWaalsContact CB-CG1 3.43Å; Y104-V183 HydrophobicContact CD1-CB 3.97Å; Y104-V183 HydrophobicContact CD1-CG1 3.94Å; Y104-V183 HydrophobicContact CD1-CG2 4.45Å; Y104-V183 HydrophobicContact CD2-CB 4.44Å; Y104-V183 HydrophobicContact CD2-CG2 4.12Å; Y104-V183 HydrophobicContact CE1-CB 4.24Å; Y104-V183 HydrophobicContact CG-CB 4.1Å; Y104-V183 HydrophobicContact CG-CG1 4.17Å; Y104-V183 HydrophobicContact CG-CG2 4.06Å; D170-V183 HydrophobicContact CB-CG1 4.27Å; D170-V183 WeakPolarHBondContact OD1-CA 3Å; V183-G185 VanDerWaalsContact C-N 3.28Å; V183-G185 PolarHBondContact O-N 2.91Å; V183-R186 PolarHBondContact N-O 2.73Å; V183-R186 PolarHBondContact O-N 2.94Å; V183-L188 HydrophobicContact CG2-CB 4.31Å; V183-L188 HydrophobicContact CG2-CD1 3.48Å; V183-L188 VanDerWaalsContact CG2-CD1 3.48Å; V183-L188 HydrophobicContact CG2-CG 3.92Å; V183-L196 HydrophobicContact CG1-CD1 3.91Å
184	N	91	Very high	89	Confident	101 Å²	101	53 Å²	53	54%	0.54	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	48.4	180	-163.9	104.6	0	0	0	112.2	D170 R186	D170-N184 PolarHBondContact OD1-N 2.93Å; N184-R186 VanDerWaalsContact C-N 3.26Å; N184-R186 PolarHBondContact O-N 2.85Å
185	G	91.8	Very high	89.2	Confident	14 Å²	14	53.2 Å²	53.2	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	0.4	179.8	0	0	0	0	0	116.4	C150 V183	C150-G185 WeakPolarHBondContact CB-O 3.38Å; V183-G185 VanDerWaalsContact C-N 3.28Å; V183-G185 PolarHBondContact O-N 2.91Å
186	R	93.1	Very high	89.7	Confident	174 Å²	174	50.9 Å²	50.9	66%	0.657	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.7	-178	-64	177.5	66.2	-166.7	-0.6	111.7	C150 C182 V183 N184 L188	C150-R186 VanDerWaalsContact SG-C 3.55Å; C182-R186 CarbonylContact C-O 3.41Å; C182-R186 WeakPolarHBondContact CA-O 3.36Å; V183-R186 PolarHBondContact N-O 2.73Å; V183-R186 PolarHBondContact O-N 2.94Å; N184-R186 VanDerWaalsContact C-N 3.26Å; N184-R186 PolarHBondContact O-N 2.85Å; R186-L188 HydrophobicContact CB-CD2 4.47Å; R186-L188 PolarHBondContact O-N 2.56Å
187	C	93.9	Very high	90.7	Very high	48 Å²	48	46.4 Å²	46.4	32%	0.324	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.2	172.2	-176.4	0	0	0	0	109.4	P149 C150 C174	P149-C187 HydrophobicContact CG-CB 4.07Å; C150-C187 VanDerWaalsContact SG-CA 3.57Å; C150-C187 PolarHBondContact SG-N 3.1Å; C174-C187 HydrophobicContact CB-CB 3.7Å; C174-C187 WeakPolarHBondContact CB-SG 3.32Å; C174-C187 WeakPolarHBondContact SG-CA 3.07Å; C174-C187 WeakPolarHBondContact SG-CB 3.22Å; C174-C187 CovalentContact SG-SG 2.03Å; C174-C187 PolarHBondContact SG-SG 2.86Å
188	L	93.9	Very high	91.9	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.7	179.1	-61.5	-172.8	0	0	0	110.8	A180 V181 V183 R186 L196	A180-L188 WeakPolarHBondContact CA-O 3.21Å; V181-L188 PolarHBondContact N-O 3.16Å; V181-L188 PolarHBondContact O-N 3.12Å; V183-L188 HydrophobicContact CG2-CB 4.31Å; V183-L188 HydrophobicContact CG2-CD1 3.48Å; V183-L188 VanDerWaalsContact CG2-CD1 3.48Å; V183-L188 HydrophobicContact CG2-CG 3.92Å; R186-L188 HydrophobicContact CB-CD2 4.47Å; R186-L188 PolarHBondContact O-N 2.56Å; L188-L196 HydrophobicContact CB-CB 4.07Å; L188-L196 HydrophobicContact CD1-CB 4.23Å
189	K	93.4	Very high	93.1	Very high	85 Å²	85	44.1 Å²	44.1	37%	0.37	26%	0.264	S	S	.	.			trans	-89.3	144.5	168.5	-74.4	179.1	-180	178.3	0	110.3	D175 E177 A180 G197	D175-K189 IonicContact OD1-NZ 2.67Å; D175-K189 WeakPolarHBondContact OD2-CE 3.37Å; D175-K189 IonicContact OD2-NZ 3.88Å; D175-K189 PolarHBondContact OD2-NZ 3.41Å; E177-K189 IonicContact OE2-NZ 2.68Å; E177-K189 PolarHBondContact OE2-NZ 2.84Å; A180-K189 HydrophobicContact CB-CD 4.38Å; A180-K189 HydrophobicContact CB-CG 3.56Å; K189-G197 PolarHBondContact O-N 3.09Å
190	P	93.6	Very high	93.7	Very high	45 Å²	45	46.5 Å²	46.5	29%	0.292	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-72.1	140.6	172.3	29	-33	0	0	0	110.6	I106 G179 I195 L196	I106-P190 HydrophobicContact CB-CB 4.25Å; I106-P190 HydrophobicContact CG2-CB 3.89Å; I106-P190 HydrophobicContact CG2-CG 4.36Å; G179-P190 VanDerWaalsContact O-CD 3.26Å; G179-P190 WeakPolarHBondContact O-CD 3.41Å; P190-I195 WeakPolarHBondContact CA-O 3.32Å; P190-L196 HydrophobicContact CB-CD2 4.04Å; P190-L196 HydrophobicContact CG-CD2 4.49Å
191	G	93.4	Very high	93.7	Very high	12 Å²	12	56.4 Å²	56.4	12%	0.124	30%	0.302	C	S	.	.			trans	-73.7	175.4	159.9	0	0	0	0	0	111.2	D193 S194 I195 Q200	G191-D193 PolarHBondContact O-N 3.19Å; G191-D193 VanDerWaalsContact O-N 3.16Å; G191-S194 WeakPolarHBondContact O-CA 3.2Å; G191-S194 PolarHBondContact O-N 3.11Å; G191-I195 PolarHBondContact N-O 2.87Å; G191-Q200 WeakPolarHBondContact CA-O 3.36Å
192	C	93	Very high	93.6	Very high	35 Å²	35	60.9 Å²	60.9	24%	0.236	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	175.9	60.8	0	0	0	0	113.4	S194 Q200 R201 E202 C208	C192-S194 PolarHBondContact O-N 3.14Å; C192-Q200 PolarHBondContact N-O 2.76Å; C192-Q200 VanDerWaalsContact N-O 3.11Å; C192-Q200 VanDerWaalsContact SG-C 3.5Å; C192-Q200 PolarHBondContact SG-O 2.91Å; C192-R201 PolarHBondContact SG-O 3.02Å; C192-R201 VanDerWaalsContact SG-O 3.32Å; C192-E202 HydrophobicContact CB-CG 3.54Å; C192-C208 HydrophobicContact CB-CB 3.57Å; C192-C208 WeakPolarHBondContact CB-SG 3.06Å; C192-C208 WeakPolarHBondContact SG-CA 3.32Å; C192-C208 WeakPolarHBondContact SG-CB 3.35Å; C192-C208 CovalentContact SG-SG 2.03Å; C192-C208 PolarHBondContact SG-SG 3.19Å
193	D	94.8	Very high	93.5	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.3	172.9	59	3.7	0	0	0	113	G191 I195 S198 C208	G191-D193 PolarHBondContact O-N 3.19Å; G191-D193 VanDerWaalsContact O-N 3.16Å; D193-I195 HydrophobicContact CB-CG1 4.23Å; D193-I195 PolarHBondContact O-N 2.84Å; D193-I195 WeakPolarHBondContact OD1-CB 3.49Å; D193-I195 PolarHBondContact OD1-N 2.74Å; D193-S198 WeakPolarHBondContact OD1-CB 3.48Å; D193-S198 PolarHBondContact OD1-OG 2.74Å; D193-S198 VanDerWaalsContact OD2-CB 3.31Å; D193-S198 WeakPolarHBondContact OD2-CB 3.36Å; D193-S198 PolarHBondContact OD2-OG 3.49Å; D193-C208 PolarHBondContact N-SG 2.64Å
194	S	93.8	Very high	93.4	Very high	46 Å²	46	61.9 Å²	61.9	32%	0.322	33%	0.33	S	S	.	.	S	Bend	trans	63.8	7.9	-171	-54.2	0	0	0	0	114.6	K105 I106 G191 C192	K105-S194 WeakPolarHBondContact CA-O 3.44Å; K105-S194 VanDerWaalsContact CE-CB 3.43Å; K105-S194 WeakPolarHBondContact CG-O 3.31Å; I106-S194 PolarHBondContact N-O 2.71Å; G191-S194 WeakPolarHBondContact O-CA 3.2Å; G191-S194 PolarHBondContact O-N 3.11Å; C192-S194 PolarHBondContact O-N 3.14Å
195	I	95.6	Very high	93.4	Very high	19 Å²	19	58 Å²	58	10%	0.097	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-84.6	128.1	179.9	-59.8	-63.9	0	0	0	109.4	W69 Q103 K105 P190 G191 D193 G197 S198	W69-I195 HydrophobicContact CH2-CD1 3.72Å; W69-I195 HydrophobicContact CZ2-CD1 3.88Å; Q103-I195 HydrophobicContact CG-CD1 4.31Å; Q103-I195 HydrophobicContact CG-CG2 3.81Å; K105-I195 HydrophobicContact CB-CD1 4.17Å; K105-I195 HydrophobicContact CG-CD1 4.13Å; P190-I195 WeakPolarHBondContact CA-O 3.32Å; G191-I195 PolarHBondContact N-O 2.87Å; D193-I195 HydrophobicContact CB-CG1 4.23Å; D193-I195 PolarHBondContact O-N 2.84Å; D193-I195 WeakPolarHBondContact OD1-CB 3.49Å; D193-I195 PolarHBondContact OD1-N 2.74Å; I195-G197 PolarHBondContact O-N 2.79Å; I195-S198 VanDerWaalsContact O-CB 3.32Å; I195-S198 WeakPolarHBondContact O-CB 3.38Å; I195-S198 PolarHBondContact O-N 3.29Å
196	L	94.9	Very high	93.4	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.052	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-73.9	124.5	-178.2	-67.8	168.3	0	0	0	110.2	A80 Y104 I106 V181 V183 L188 P190 S198	A80-L196 HydrophobicContact CB-CD1 4.05Å; Y104-L196 PolarHBondContact O-N 3.43Å; I106-L196 HydrophobicContact CB-CD2 4.22Å; I106-L196 HydrophobicContact CD1-CD2 4.28Å; V181-L196 HydrophobicContact CG2-CD1 3.6Å; V181-L196 HydrophobicContact CG2-CD2 3.68Å; V181-L196 HydrophobicContact CG2-CG 4.32Å; V183-L196 HydrophobicContact CG1-CD1 3.91Å; L188-L196 HydrophobicContact CB-CB 4.07Å; L188-L196 HydrophobicContact CD1-CB 4.23Å; P190-L196 HydrophobicContact CB-CD2 4.04Å; P190-L196 HydrophobicContact CG-CD2 4.49Å; L196-S198 VanDerWaalsContact C-N 3.33Å
197	G	92.5	Very high	93.5	Very high	48 Å²	48	54.2 Å²	54.2	50%	0.495	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	9.7	-174	0	0	0	0	0	114.6	K189 I195	K189-G197 PolarHBondContact O-N 3.09Å; I195-G197 PolarHBondContact O-N 2.79Å
198	S	93.9	Very high	93.5	Very high	33 Å²	33	54.5 Å²	54.5	23%	0.231	30%	0.302	C	S	.	.			trans	-70.6	143.2	174	-173.4	0	0	0	0	111.8	D193 I195 L196 Q200	D193-S198 WeakPolarHBondContact OD1-CB 3.48Å; D193-S198 PolarHBondContact OD1-OG 2.74Å; D193-S198 VanDerWaalsContact OD2-CB 3.31Å; D193-S198 WeakPolarHBondContact OD2-CB 3.36Å; D193-S198 PolarHBondContact OD2-OG 3.49Å; I195-S198 VanDerWaalsContact O-CB 3.32Å; I195-S198 WeakPolarHBondContact O-CB 3.38Å; I195-S198 PolarHBondContact O-N 3.29Å; L196-S198 VanDerWaalsContact C-N 3.33Å; S198-Q200 VanDerWaalsContact C-N 3.28Å; S198-Q200 WeakPolarHBondContact OG-CB 3.46Å; S198-Q200 WeakPolarHBondContact OG-CG 3.37Å; S198-Q200 PolarHBondContact OG-N 3.09Å
199	T	93.2	Very high	93.5	Very high	126 Å²	126	54.4 Å²	54.4	77%	0.773	31%	0.309	S	S	*	.			trans	-82.8	-5.9	172.4	50.3	0	0	0	0	112.9	R201	T199-R201 PolarHBondContact O-N 3.29Å
200	Q	93.8	Very high	93.5	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	30%	0.302	S	S	.	.			trans	-66.4	124.7	-179.7	-67.3	-63.7	101.5	0	0	111.5	G191 C192 S198	G191-Q200 WeakPolarHBondContact CA-O 3.36Å; C192-Q200 PolarHBondContact N-O 2.76Å; C192-Q200 VanDerWaalsContact N-O 3.11Å; C192-Q200 VanDerWaalsContact SG-C 3.5Å; C192-Q200 PolarHBondContact SG-O 2.91Å; S198-Q200 VanDerWaalsContact C-N 3.28Å; S198-Q200 WeakPolarHBondContact OG-CB 3.46Å; S198-Q200 WeakPolarHBondContact OG-CG 3.37Å; S198-Q200 PolarHBondContact OG-N 3.09Å
201	R	92.1	Very high	93.5	Very high	211 Å²	211	56.7 Å²	56.7	80%	0.796	32%	0.323	S	S	*	.			trans	-117.4	157.9	175.5	-63.5	-176.5	-179.3	-163.4	-2	110.5	C192 T199 G209	C192-R201 PolarHBondContact SG-O 3.02Å; C192-R201 VanDerWaalsContact SG-O 3.32Å; T199-R201 PolarHBondContact O-N 3.29Å; R201-G209 PolarHBondContact O-N 3.29Å
202	E	93	Very high	93.5	Very high	98 Å²	98	59.6 Å²	59.6	46%	0.458	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-67.6	145.5	166.8	-62.4	-176.2	171.3	0	0	109.9	C192	C192-E202 HydrophobicContact CB-CG 3.54Å
203	D	93.5	Very high	93.4	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.07	36%	0.358	C	S	.	.			trans	-83	179.3	167.3	83.5	-9.9	0	0	0	110.8	C205 M206 V207 G210 H211 N212 H247	D203-C205 PolarHBondContact O-N 2.92Å; D203-C205 VanDerWaalsContact O-N 3.1Å; D203-C205 VanDerWaalsContact OD1-CA 3.3Å; D203-C205 WeakPolarHBondContact OD1-CA 3.46Å; D203-C205 VanDerWaalsContact OD1-CB 3.26Å; D203-C205 WeakPolarHBondContact OD1-CB 3.36Å; D203-C205 PolarHBondContact OD1-N 2.84Å; D203-M206 PolarHBondContact O-N 3.19Å; D203-M206 PolarHBondContact OD1-N 2.78Å; D203-M206 VanDerWaalsContact OD1-N 3.16Å; D203-V207 PolarHBondContact N-O 2.96Å; D203-V207 WeakPolarHBondContact OD1-CB 3.26Å; D203-V207 PolarHBondContact OD1-N 2.74Å; D203-G210 VanDerWaalsContact OD2-C 3.25Å; D203-G210 VanDerWaalsContact OD2-CA 3.3Å; D203-G210 WeakPolarHBondContact OD2-CA 3.3Å; D203-H211 PolarHBondContact OD2-N 2.93Å; D203-N212 WeakPolarHBondContact CB-OD1 3.3Å; D203-N212 WeakPolarHBondContact OD2-CA 3.22Å; D203-N212 PolarHBondContact OD2-N 2.93Å; D203-H247 PolarHBondContact O-CE1 2.79Å
204	A	92.4	Very high	93.2	Very high	11 Å²	11	64.5 Å²	64.5	9%	0.091	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.8	-178.3	0	0	0	0	0	113.1	M206 N212 T246 H247 W328	A204-M206 VanDerWaalsContact C-N 3.32Å; A204-N212 VanDerWaalsContact CB-OD1 3.27Å; A204-N212 WeakPolarHBondContact CB-OD1 3.47Å; A204-N212 PolarHBondContact N-OD1 3.41Å; A204-T246 WeakPolarHBondContact O-CB 3Å; A204-T246 PolarHBondContact O-OG1 2.02Å; A204-H247 WeakPolarHBondContact CA-ND1 3.37Å; A204-H247 PolarHBondContact O-ND1 2.81Å; A204-W328 HydrophobicContact CB-CD2 3.56Å; A204-W328 VanDerWaalsContact CB-CE2 3.41Å; A204-W328 HydrophobicContact CB-CE3 4.08Å; A204-W328 HydrophobicContact CB-CG 3.86Å; A204-W328 HydrophobicContact CB-CH2 4.27Å; A204-W328 HydrophobicContact CB-CZ2 3.81Å; A204-W328 HydrophobicContact CB-CZ3 4.39Å
205	C	92.4	Very high	93.2	Very high	19 Å²	19	62.7 Å²	62.7	13%	0.128	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.6	178	-48.7	0	0	0	0	113.5	D203 V207 T214 C215	D203-C205 PolarHBondContact O-N 2.92Å; D203-C205 VanDerWaalsContact O-N 3.1Å; D203-C205 VanDerWaalsContact OD1-CA 3.3Å; D203-C205 WeakPolarHBondContact OD1-CA 3.46Å; D203-C205 VanDerWaalsContact OD1-CB 3.26Å; D203-C205 WeakPolarHBondContact OD1-CB 3.36Å; D203-C205 PolarHBondContact OD1-N 2.84Å; C205-V207 HydrophobicContact CB-CG2 4.28Å; C205-V207 PolarHBondContact O-N 3.18Å; C205-T214 WeakPolarHBondContact CB-OG1 3.37Å; C205-T214 PolarHBondContact SG-OG1 3.43Å; C205-C215 WeakPolarHBondContact CA-SG 3.39Å; C205-C215 HydrophobicContact CB-CB 3.68Å; C205-C215 WeakPolarHBondContact CB-SG 3.47Å; C205-C215 WeakPolarHBondContact SG-CB 3.25Å; C205-C215 PolarHBondContact SG-N 3.36Å; C205-C215 CovalentContact SG-SG 2.02Å; C205-C215 PolarHBondContact SG-SG 2.85Å
206	M	91.6	Very high	93	Very high	51 Å²	51	65.4 Å²	65.4	25%	0.251	37%	0.368	S	S	.	.	S	Bend	trans	61.6	26.5	-174.5	-60.9	-175.1	135.1	0	0	114.4	D203 A204 T246 P303 P305	D203-M206 PolarHBondContact O-N 3.19Å; D203-M206 PolarHBondContact OD1-N 2.78Å; D203-M206 VanDerWaalsContact OD1-N 3.16Å; A204-M206 VanDerWaalsContact C-N 3.32Å; M206-T246 HydrophobicContact CG-CG2 3.86Å; M206-T246 HydrophobicContact SD-CG2 3.53Å; M206-T246 VanDerWaalsContact SD-CG2 3.53Å; M206-P303 HydrophobicContact CE-CB 3.97Å; M206-P303 WeakPolarHBondContact CE-O 3.09Å; M206-P305 HydrophobicContact SD-CB 4.42Å; M206-P305 VanDerWaalsContact SD-CD 3.59Å; M206-P305 HydrophobicContact SD-CG 4.4Å
207	V	94	Very high	92.9	Very high	58 Å²	58	68.5 Å²	68.5	35%	0.352	38%	0.382	S	S	.	.			trans	-89.5	119	169.7	-177.8	0	0	0	0	108.8	D203 C205 G209 G210 T214	D203-V207 PolarHBondContact N-O 2.96Å; D203-V207 WeakPolarHBondContact OD1-CB 3.26Å; D203-V207 PolarHBondContact OD1-N 2.74Å; C205-V207 HydrophobicContact CB-CG2 4.28Å; C205-V207 PolarHBondContact O-N 3.18Å; V207-G209 PolarHBondContact O-N 2.85Å; V207-G210 PolarHBondContact O-N 2.92Å; V207-T214 HydrophobicContact CG2-CG2 4.24Å; V207-T214 WeakPolarHBondContact CG2-OG1 2.99Å
208	C	95.1	Very high	92.9	Very high	54 Å²	54	67.5 Å²	67.5	37%	0.365	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-63.3	118.5	177.5	179.9	0	0	0	0	111.7	C192 D193 G210	C192-C208 HydrophobicContact CB-CB 3.57Å; C192-C208 WeakPolarHBondContact CB-SG 3.06Å; C192-C208 WeakPolarHBondContact SG-CA 3.32Å; C192-C208 WeakPolarHBondContact SG-CB 3.35Å; C192-C208 CovalentContact SG-SG 2.03Å; C192-C208 PolarHBondContact SG-SG 3.19Å; D193-C208 PolarHBondContact N-SG 2.64Å; C208-G210 PolarHBondContact O-N 2.67Å
209	G	94.3	Very high	92.8	Very high	29 Å²	29	70.6 Å²	70.6	30%	0.299	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	17	-172.7	0	0	0	0	0	114.3	R201 V207	R201-G209 PolarHBondContact O-N 3.29Å; V207-G209 PolarHBondContact O-N 2.85Å
210	G	93.7	Very high	92.6	Very high	22 Å²	22	66.4 Å²	66.4	23%	0.227	35%	0.35	C	S	.	.			trans	-71.3	-177.5	-179.1	0	0	0	0	0	114.5	D203 V207 C208	D203-G210 VanDerWaalsContact OD2-C 3.25Å; D203-G210 VanDerWaalsContact OD2-CA 3.3Å; D203-G210 WeakPolarHBondContact OD2-CA 3.3Å; V207-G210 PolarHBondContact O-N 2.92Å; C208-G210 PolarHBondContact O-N 2.67Å
211	H	93.2	Very high	92.4	Very high	156 Å²	156	65.4 Å²	65.4	72%	0.722	35%	0.35	S	S	*	.			trans	-133.4	21.2	-170.8	-60.3	-19.6	0	0	0	113	D203 T213	D203-H211 PolarHBondContact OD2-N 2.93Å; H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 HydrophobicContact CB-CG2 4.29Å; H211-T213 PolarHBondContact O-N 2.96Å
212	N	92.4	Very high	92	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	32%	0.321	S	S	.	.	S	Bend	trans	60.5	30	-177.3	-56.3	-26.5	0	0	0	114.2	D203 A204 W328	D203-N212 WeakPolarHBondContact CB-OD1 3.3Å; D203-N212 WeakPolarHBondContact OD2-CA 3.22Å; D203-N212 PolarHBondContact OD2-N 2.93Å; A204-N212 VanDerWaalsContact CB-OD1 3.27Å; A204-N212 WeakPolarHBondContact CB-OD1 3.47Å; A204-N212 PolarHBondContact N-OD1 3.41Å; N212-W328 HydrophobicContact CB-CH2 3.95Å; N212-W328 HydrophobicContact CB-CZ3 3.96Å
213	T	90.8	Very high	91.3	Very high	115 Å²	115	59.7 Å²	59.7	71%	0.706	33%	0.33	S	S	*	.			trans	-103.1	-13.9	-173.8	51.3	0	0	0	0	114.9	H211	H211-T213 VanDerWaalsContact C-N 3.29Å; H211-T213 HydrophobicContact CB-CG2 4.29Å; H211-T213 PolarHBondContact O-N 2.96Å
214	T	91.8	Very high	89.8	Confident	77 Å²	77	61 Å²	61	47%	0.472	34%	0.34	S	S	.	.	S	Bend	trans	-93.9	-2.1	-176.1	51	0	0	0	0	113.9	C205 V207 P331	C205-T214 WeakPolarHBondContact CB-OG1 3.37Å; C205-T214 PolarHBondContact SG-OG1 3.43Å; V207-T214 HydrophobicContact CG2-CG2 4.24Å; V207-T214 WeakPolarHBondContact CG2-OG1 2.99Å; T214-P331 WeakPolarHBondContact O-CD 3.34Å
215	C	92.3	Very high	87.6	Confident	9 Å²	9	66.7 Å²	66.7	6%	0.061	38%	0.379	C	S	.	.	S	Bend	trans	-145.8	167.7	-178.1	71.7	0	0	0	0	110.8	C205 L329	C205-C215 WeakPolarHBondContact CA-SG 3.39Å; C205-C215 HydrophobicContact CB-CB 3.68Å; C205-C215 WeakPolarHBondContact CB-SG 3.47Å; C205-C215 WeakPolarHBondContact SG-CB 3.25Å; C205-C215 PolarHBondContact SG-N 3.36Å; C205-C215 CovalentContact SG-SG 2.02Å; C205-C215 PolarHBondContact SG-SG 2.85Å; C215-L329 CarbonylContact C-O 3.58Å; C215-L329 WeakPolarHBondContact CA-O 3.48Å; C215-L329 WeakPolarHBondContact CB-O 3.49Å
216	L	92	Very high	85.5	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.5	-178.6	-63.1	178.3	0	0	0	110.8	W328 L329 P331 Y334	L216-W328 WeakPolarHBondContact O-CA 3.08Å; L216-L329 PolarHBondContact N-O 3.06Å; L216-L329 PolarHBondContact O-N 3.3Å; L216-P331 HydrophobicContact CD1-CB 4.18Å; L216-P331 HydrophobicContact CG-CB 4.45Å; L216-P331 HydrophobicContact CG-CG 4.43Å; L216-Y334 HydrophobicContact CB-CD1 4.27Å; L216-Y334 HydrophobicContact CB-CD2 3.63Å; L216-Y334 HydrophobicContact CB-CE2 4.08Å; L216-Y334 HydrophobicContact CB-CG 3.75Å; L216-Y334 HydrophobicContact CD1-CD1 3.69Å; L216-Y334 HydrophobicContact CD1-CE1 4.34Å; L216-Y334 HydrophobicContact CD1-CG 3.83Å; L216-Y334 HydrophobicContact CG-CG 4.41Å
217	H	92.8	Very high	83.4	Confident	75 Å²	75	68.5 Å²	68.5	35%	0.347	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.4	175.6	-175.7	-139.8	0	0	0	110.7	E326 W328	H217-E326 IonicContact CE1-OE2 2.85Å; H217-E326 PolarHBondContact CE1-OE2 2.95Å; H217-E326 IonicContact NE2-OE2 2.7Å; H217-E326 PolarHBondContact NE2-OE2 3.44Å; H217-W328 HydrophobicContact CB-CD2 3.83Å; H217-W328 HydrophobicContact CB-CE3 3.74Å; H217-W328 HydrophobicContact CB-CH2 3.8Å; H217-W328 HydrophobicContact CB-CZ2 3.83Å; H217-W328 HydrophobicContact CB-CZ3 3.75Å; H217-W328 AromaticContact CD2-CD1 3.97Å; H217-W328 AromaticContact CD2-CE2 3.5Å; H217-W328 AromaticContact CD2-CZ2 3.87Å; H217-W328 AromaticContact CD2-NE1 3.41Å; H217-W328 PolarHBondContact CD2-NE1 2.86Å; H217-W328 AromaticContact CG-CE2 3.87Å; H217-W328 AromaticContact CG-CZ2 3.89Å
218	H	92.4	Very high	81	Confident	27 Å²	27	73.8 Å²	73.8	13%	0.125	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.7	161.2	-169.6	56.7	0	0	0	109.1	Y325 E326 Y327 Y334 H338	H218-Y325 AromaticContact NE2-CE2 3.85Å; H218-E326 CarbonylContact O-C 3.59Å; H218-E326 WeakPolarHBondContact O-CA 3.45Å; H218-E326 WeakPolarHBondContact O-CB 3.47Å; H218-Y327 HydrophobicContact CB-CD2 3.97Å; H218-Y327 HydrophobicContact CB-CE2 3.85Å; H218-Y327 HydrophobicContact CB-CG 4.48Å; H218-Y327 AromaticContact CD2-CE1 3.84Å; H218-Y327 AromaticContact CD2-CZ 3.65Å; H218-Y327 PolarHBondContact N-O 3.3Å; H218-Y327 PolarHBondContact O-N 3.04Å; H218-Y327 VanDerWaalsContact O-O 3.13Å; H218-Y334 HydrophobicContact CB-CE2 3.86Å; H218-H338 AromaticContact CD2-CE1 3.37Å; H218-H338 PolarHBondContact CD2-CE1 2.84Å; H218-H338 AromaticContact CD2-ND1 3.96Å; H218-H338 AromaticContact CE1-CE1 3.59Å; H218-H338 AromaticContact CE1-ND1 3.37Å; H218-H338 PolarHBondContact CE1-ND1 3.41Å; H218-H338 AromaticContact CG-CE1 3.33Å; H218-H338 AromaticContact CG-ND1 3.75Å; H218-H338 AromaticContact CG-NE2 3.84Å; H218-H338 AromaticContact ND1-CE1 3.46Å; H218-H338 PolarHBondContact ND1-CE1 3.5Å; H218-H338 AromaticContact ND1-CG 4Å; H218-H338 AromaticContact ND1-ND1 3.36Å; H218-H338 PolarHBondContact ND1-ND1 3.3Å; H218-H338 AromaticContact NE2-CE1 3.51Å; H218-H338 AromaticContact NE2-ND1 3.71Å
219	K	92.3	Very high	78.4	Confident	97 Å²	97	76.7 Å²	76.7	42%	0.422	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.9	164.1	-179.7	161.2	-175.7	160.6	0	110	E324 Y325 E326	K219-E324 WeakPolarHBondContact CE-OE2 3.47Å; K219-E324 IonicContact NZ-OE2 3.75Å; K219-E324 PolarHBondContact NZ-OE2 3.3Å; K219-Y325 WeakPolarHBondContact CA-O 3.32Å; K219-E326 HydrophobicContact CB-CB 3.96Å; K219-E326 HydrophobicContact CD-CB 4.27Å; K219-E326 HydrophobicContact CG-CB 4.08Å
220	S	87.9	Confident	76	Confident	39 Å²	39	78.5 Å²	78.5	27%	0.273	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	163.9	-177.8	-177.4	0	0	0	0	110.3	Y325	S220-Y325 VanDerWaalsContact CB-CZ 3.49Å; S220-Y325 PolarHBondContact N-O 3.25Å; S220-Y325 PolarHBondContact O-N 3.03Å; S220-Y325 VanDerWaalsContact O-O 3.14Å; S220-Y325 PolarHBondContact OG-OH 3.39Å
221	V	89.6	Confident	73.7	Confident	65 Å²	65	78.5 Å²	78.5	39%	0.394	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.6	177.6	-168.1	0	0	0	0	108.9	Q223 I323 E324	V221-Q223 HydrophobicContact CG1-CG 4.18Å; V221-Q223 PolarHBondContact O-N 3.34Å; V221-I323 CarbonylContact C-O 3.55Å; V221-I323 WeakPolarHBondContact CA-O 3.31Å; V221-E324 HydrophobicContact CG1-CG 4.2Å; V221-E324 HydrophobicContact CG2-CG 4.03Å
222	Y	84.3	Confident	71.6	Confident	51 Å²	51	75.2 Å²	75.2	20%	0.2	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	103.3	173.9	176	-95.9	0	0	0	110.4	V238 V314 N320 I323	Y222-V238 HydrophobicContact CD1-CB 4.46Å; Y222-V238 HydrophobicContact CD1-CG1 4.09Å; Y222-V238 HydrophobicContact CD1-CG2 4.06Å; Y222-V238 HydrophobicContact CD2-CG1 4.17Å; Y222-V238 HydrophobicContact CE1-CG2 4.2Å; Y222-V238 HydrophobicContact CG-CB 4.32Å; Y222-V238 HydrophobicContact CG-CG1 3.7Å; Y222-V238 HydrophobicContact CG-CG2 4.42Å; Y222-V314 HydrophobicContact CE1-CG1 4.29Å; Y222-N320 WeakPolarHBondContact CD1-ND2 3.38Å; Y222-N320 PolarHBondContact O-ND2 3.23Å; Y222-I323 HydrophobicContact CD1-CD1 4.12Å; Y222-I323 PolarHBondContact N-O 3.17Å; Y222-I323 PolarHBondContact O-N 3.46Å
223	Q	78.3	Confident	69.9	Low	137 Å²	137	81.5 Å²	81.5	64%	0.64	49%	0.488	S	S	*	.			trans	-107.9	118.4	168.4	-68.3	177.8	-24.9	0	0	108.2	V221 S225 P321	V221-Q223 HydrophobicContact CG1-CG 4.18Å; V221-Q223 PolarHBondContact O-N 3.34Å; Q223-S225 PolarHBondContact O-N 2.86Å; Q223-P321 PolarHBondContact NE2-O 2.9Å
224	S	61.6	Low	69	Low	41 Å²	41	76.6 Å²	76.6	29%	0.287	46%	0.46	S	S	.	.			trans	-83.9	104.7	179.1	-178.3	0	0	0	0	111	G226 L227	S224-G226 PolarHBondContact O-N 3.27Å; S224-L227 WeakPolarHBondContact OG-CD1 3.29Å; S224-L227 PolarHBondContact OG-N 3.48Å
225	S	47.5	Very low	68.1	Low	131 Å²	131	75 Å²	75	92%	0.916	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	65.4	170.2	62.5	0	0	0	0	111	Q223	Q223-S225 PolarHBondContact O-N 2.86Å
226	G	47.6	Very low	67.4	Low	63 Å²	63	76.1 Å²	76.1	65%	0.649	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	156.4	-6.7	179.3	0	0	0	0	0	116.9	S224 E228	S224-G226 PolarHBondContact O-N 3.27Å; G226-E228 VanDerWaalsContact C-N 3.33Å; G226-E228 PolarHBondContact O-N 2.8Å
227	L	48.1	Very low	66.9	Low	44 Å²	44	77.5 Å²	77.5	23%	0.23	46%	0.455	C	S	.	.			trans	-77.9	87.2	166.5	-98.1	104.2	0	0	0	110.5	S224 A316	S224-L227 WeakPolarHBondContact OG-CD1 3.29Å; S224-L227 PolarHBondContact OG-N 3.48Å; L227-A316 HydrophobicContact CD2-CB 3.32Å
228	E	43.5	Very low	66.5	Low	169 Å²	169	74.6 Å²	74.6	79%	0.79	44%	0.442	S	S	*	.			trans	-62.7	165.7	154.8	-62	-174.9	164.7	0	0	110.4	G226 G230 G231	G226-E228 VanDerWaalsContact C-N 3.33Å; G226-E228 PolarHBondContact O-N 2.8Å; E228-G230 PolarHBondContact O-N 3.23Å; E228-G231 PolarHBondContact O-N 2.82Å
229	A	39.7	Very low	66	Low	115 Å²	115	74.2 Å²	74.2	95%	0.95	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	102.6	176.4	0	0	0	0	0	109.9
230	G	43.6	Very low	65.7	Low	68 Å²	68	70.9 Å²	70.9	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.2	17.6	-167.7	0	0	0	0	0	115.1	E228	E228-G230 PolarHBondContact O-N 3.23Å
231	G	45.3	Very low	65.8	Low	21 Å²	21	69.1 Å²	69.1	22%	0.216	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-50.4	162.5	164.9	0	0	0	0	0	113.6	E228 F233	E228-G231 PolarHBondContact O-N 2.82Å; G231-F233 PolarHBondContact O-N 2.99Å
232	P	50.9	Low	65.9	Low	88 Å²	88	66 Å²	66	57%	0.571	40%	0.397	S	S	*	.	S	Bend	trans	-49.6	121.9	-161.1	14.4	-29	0	0	0	113.9	G234 N236	P232-G234 PolarHBondContact O-N 3.23Å; P232-N236 PolarHBondContact O-ND2 3.37Å
233	F	56.1	Low	66.2	Low	204 Å²	204	65 Å²	65	90%	0.895	40%	0.399	S	S	*	.	S	Bend	trans	-50.8	117.4	-169.2	-70.8	-85.8	0	0	0	113.6	G231	G231-F233 PolarHBondContact O-N 2.99Å
234	G	70.8	Confident	66.9	Low	11 Å²	11	59.2 Å²	59.2	11%	0.113	38%	0.377	C	S	.	.	S	Bend	trans	119.8	-155.4	172.6	0	0	0	0	0	113.4	P232 N236 L315	P232-G234 PolarHBondContact O-N 3.23Å; G234-N236 PolarHBondContact O-ND2 3.36Å; G234-L315 WeakPolarHBondContact O-CD1 3.28Å
235	Y	74.4	Confident	68.5	Low	44 Å²	44	57.3 Å²	57.3	17%	0.173	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118	-177.5	-66.3	-85.8	0	0	0	110.6	A259 F267 G271 M313 V314 L315	Y235-A259 HydrophobicContact CD1-CB 3.54Å; Y235-A259 HydrophobicContact CE1-CB 3.53Å; Y235-F267 HydrophobicContact CD1-CE1 4.28Å; Y235-F267 HydrophobicContact CD2-CE1 4.22Å; Y235-F267 AromaticContact CD2-CZ 3.75Å; Y235-F267 HydrophobicContact CD2-CZ 3.75Å; Y235-F267 HydrophobicContact CE2-CZ 4.25Å; Y235-F267 HydrophobicContact CG-CE1 4.06Å; Y235-F267 AromaticContact CG-CZ 3.96Å; Y235-F267 HydrophobicContact CG-CZ 3.96Å; Y235-G271 WeakPolarHBondContact OH-CA 3.49Å; Y235-G271 PolarHBondContact OH-N 2.85Å; Y235-M313 WeakPolarHBondContact O-CE 3.39Å; Y235-V314 WeakPolarHBondContact CA-O 3.44Å; Y235-L315 HydrophobicContact CD1-CB 3.59Å; Y235-L315 HydrophobicContact CE1-CB 3.42Å; Y235-L315 VanDerWaalsContact CE1-CB 3.42Å; Y235-L315 HydrophobicContact CE1-CD2 4.28Å; Y235-L315 HydrophobicContact CE1-CG 4.47Å; Y235-L315 HydrophobicContact CE2-CD2 4.48Å; Y235-L315 HydrophobicContact CG-CB 4.23Å
236	N	77.6	Confident	70.8	Confident	33 Å²	33	51.5 Å²	51.5	18%	0.176	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	-179.2	-73.3	-89.8	0	0	0	110.5	P232 G234 V238 M313 V314	P232-N236 PolarHBondContact O-ND2 3.37Å; G234-N236 PolarHBondContact O-ND2 3.36Å; N236-V238 PolarHBondContact O-N 2.83Å; N236-M313 CarbonylContact O-C 3.59Å; N236-M313 WeakPolarHBondContact O-CA 3.13Å; N236-V314 HydrophobicContact CB-CG1 4.47Å; N236-V314 PolarHBondContact N-O 3.37Å; N236-V314 PolarHBondContact O-N 3.46Å
237	E	80.1	Confident	73.1	Confident	105 Å²	105	52 Å²	52	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126	-179.3	-170.8	174.9	-160.2	0	0	111.1	H311 M313	E237-H311 IonicContact OE1-CE1 3.93Å; E237-H311 IonicContact OE1-CG 2.91Å; E237-H311 IonicContact OE1-ND1 2.94Å; E237-H311 PolarHBondContact OE1-ND1 3.3Å; E237-M313 HydrophobicContact CB-CE 4.02Å; E237-M313 HydrophobicContact CB-SD 3.82Å; E237-M313 HydrophobicContact CG-SD 4Å
238	V	84.9	Confident	75.5	Confident	13 Å²	13	50 Å²	50	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-50	179	171.9	0	0	0	0	109.8	Y222 N236 L312 V314 I323 Y325	Y222-V238 HydrophobicContact CD1-CB 4.46Å; Y222-V238 HydrophobicContact CD1-CG1 4.09Å; Y222-V238 HydrophobicContact CD1-CG2 4.06Å; Y222-V238 HydrophobicContact CD2-CG1 4.17Å; Y222-V238 HydrophobicContact CE1-CG2 4.2Å; Y222-V238 HydrophobicContact CG-CB 4.32Å; Y222-V238 HydrophobicContact CG-CG1 3.7Å; Y222-V238 HydrophobicContact CG-CG2 4.42Å; N236-V238 PolarHBondContact O-N 2.83Å; V238-L312 HydrophobicContact CB-CB 4.29Å; V238-L312 HydrophobicContact CB-CD2 4.03Å; V238-L312 HydrophobicContact CB-CG 3.8Å; V238-L312 WeakPolarHBondContact CB-O 3.42Å; V238-L312 HydrophobicContact CG1-CD2 3.57Å; V238-L312 HydrophobicContact CG1-CG 3.93Å; V238-L312 HydrophobicContact CG2-CG 4.28Å; V238-L312 PolarHBondContact N-O 3.16Å; V238-V314 HydrophobicContact CG2-CB 3.91Å; V238-V314 HydrophobicContact CG2-CG1 3.63Å; V238-I323 HydrophobicContact CG1-CG2 4.48Å; V238-I323 HydrophobicContact CG2-CD1 3.93Å; V238-Y325 HydrophobicContact CG1-CD1 4.17Å; V238-Y325 HydrophobicContact CG1-CE1 4.06Å
239	T	81.9	Confident	78	Confident	19 Å²	19	47.5 Å²	47.5	12%	0.117	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	162.8	175.4	-161.3	0	0	0	0	110.7	I241 L312 Y325	T239-I241 HydrophobicContact CG2-CD1 4.5Å; T239-I241 HydrophobicContact CG2-CG1 3.86Å; T239-L312 HydrophobicContact CG2-CB 4.12Å; T239-L312 HydrophobicContact CG2-CD2 4.23Å; T239-L312 PolarHBondContact N-O 3.45Å; T239-L312 PolarHBondContact O-N 2.89Å; T239-Y325 HydrophobicContact CG2-CD1 4.26Å; T239-Y325 HydrophobicContact CG2-CD2 3.98Å; T239-Y325 HydrophobicContact CG2-CE1 3.98Å; T239-Y325 HydrophobicContact CG2-CE2 3.68Å; T239-Y325 HydrophobicContact CG2-CG 4.25Å; T239-Y325 PolarHBondContact OG1-OH 2.87Å
240	M	85	Confident	80.8	Confident	28 Å²	28	42 Å²	42	14%	0.138	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.2	164.6	-177.1	-74.8	-71.1	0	0	108.6	P242 D309 L310 Y337	M240-P242 HydrophobicContact CE-CB 4.33Å; M240-P242 VanDerWaalsContact SD-CA 3.59Å; M240-P242 HydrophobicContact SD-CB 4.04Å; M240-D309 HydrophobicContact CG-CB 4.29Å; M240-D309 HydrophobicContact SD-CB 3.83Å; M240-L310 CarbonylContact C-O 3.5Å; M240-L310 WeakPolarHBondContact CA-O 3.31Å; M240-Y337 HydrophobicContact CE-CD1 3.84Å; M240-Y337 HydrophobicContact CE-CE1 3.66Å
241	I	91.8	Very high	83.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.2	176.9	-50.9	-178.1	0	0	0	106.9	T239 A245 I248 V250 L310 L312 Y327	T239-I241 HydrophobicContact CG2-CD1 4.5Å; T239-I241 HydrophobicContact CG2-CG1 3.86Å; I241-A245 HydrophobicContact CG2-CB 3.84Å; I241-I248 HydrophobicContact CD1-CG2 3.67Å; I241-I248 HydrophobicContact CG2-CD1 3.82Å; I241-I248 HydrophobicContact CG2-CG1 4.1Å; I241-I248 HydrophobicContact CG2-CG2 4.31Å; I241-V250 HydrophobicContact CD1-CG2 4.48Å; I241-L310 HydrophobicContact CB-CB 4.41Å; I241-L310 PolarHBondContact N-O 2.89Å; I241-L310 PolarHBondContact O-N 2.63Å; I241-L312 HydrophobicContact CD1-CB 4.48Å; I241-Y327 HydrophobicContact CB-CD1 4.49Å; I241-Y327 HydrophobicContact CB-CE1 4.16Å; I241-Y327 HydrophobicContact CD1-CD1 4.32Å; I241-Y327 HydrophobicContact CD1-CE1 4.37Å; I241-Y327 HydrophobicContact CG1-CD1 4.23Å; I241-Y327 HydrophobicContact CG1-CE1 3.84Å; I241-Y327 HydrophobicContact CG2-CD1 3.69Å; I241-Y327 HydrophobicContact CG2-CD2 4.44Å; I241-Y327 HydrophobicContact CG2-CE1 3.75Å; I241-Y327 HydrophobicContact CG2-CG 4.03Å
242	P	90.9	Very high	85.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.			trans	-75.8	165.5	-166.5	29.4	-35.5	0	0	0	113.9	M240 A245 T306 D309 L329 Y337	M240-P242 HydrophobicContact CE-CB 4.33Å; M240-P242 VanDerWaalsContact SD-CA 3.59Å; M240-P242 HydrophobicContact SD-CB 4.04Å; P242-A245 VanDerWaalsContact O-CB 3.29Å; P242-A245 WeakPolarHBondContact O-CB 3.3Å; P242-A245 PolarHBondContact O-N 3.08Å; P242-T306 PolarHBondContact O-OG1 2.96Å; P242-D309 VanDerWaalsContact CA-OD1 3.31Å; P242-D309 WeakPolarHBondContact CA-OD1 3.37Å; P242-L329 HydrophobicContact CG-CD1 3.71Å; P242-L329 HydrophobicContact CG-CD2 4.04Å; P242-L329 HydrophobicContact CG-CG 4.45Å; P242-Y337 HydrophobicContact CB-CD1 3.95Å; P242-Y337 HydrophobicContact CB-CD2 3.67Å; P242-Y337 HydrophobicContact CB-CE1 3.67Å; P242-Y337 HydrophobicContact CB-CE2 3.41Å; P242-Y337 VanDerWaalsContact CB-CE2 3.41Å; P242-Y337 HydrophobicContact CB-CG 3.95Å; P242-Y337 HydrophobicContact CG-CD1 4.26Å; P242-Y337 HydrophobicContact CG-CD2 3.65Å; P242-Y337 HydrophobicContact CG-CE1 4.45Å; P242-Y337 HydrophobicContact CG-CE2 3.92Å; P242-Y337 HydrophobicContact CG-CG 3.84Å
243	A	90.3	Very high	87.4	Confident	29 Å²	29	40.4 Å²	40.4	24%	0.24	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	143.4	162.7	0	0	0	0	0	110.9	T306 D309 Q333	A243-T306 CarbonylContact C-O 3.54Å; A243-T306 WeakPolarHBondContact CA-OG1 3.07Å; A243-D309 PolarHBondContact N-OD1 2.91Å; A243-Q333 PolarHBondContact O-OE1 2.66Å
244	G	92.4	Very high	89	Confident	17 Å²	17	31.3 Å²	31.3	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-3.9	-175.1	0	0	0	0	0	114.9	T306	G244-T306 PolarHBondContact N-O 2.79Å; G244-T306 PolarHBondContact N-OG1 3.19Å; G244-T306 VanDerWaalsContact N-OG1 3.13Å
245	A	95.5	Very high	89.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.			trans	-70.9	136.4	178.6	0	0	0	0	0	112.4	I241 P242 I248 P305 T306 Y327 W328 L329	I241-A245 HydrophobicContact CG2-CB 3.84Å; P242-A245 VanDerWaalsContact O-CB 3.29Å; P242-A245 WeakPolarHBondContact O-CB 3.3Å; P242-A245 PolarHBondContact O-N 3.08Å; A245-I248 HydrophobicContact CB-CD1 3.94Å; A245-I248 HydrophobicContact CB-CG1 3.99Å; A245-P305 WeakPolarHBondContact O-CA 3.36Å; A245-T306 PolarHBondContact N-OG1 2.76Å; A245-T306 PolarHBondContact O-N 2.91Å; A245-T306 VanDerWaalsContact O-N 3.15Å; A245-Y327 HydrophobicContact CB-CD2 4.29Å; A245-W328 WeakPolarHBondContact CA-O 3.28Å; A245-L329 HydrophobicContact CB-CD2 4Å
246	T	96.4	Very high	90.2	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.5	177.6	59.6	0	0	0	0	111.4	A204 M206 I248 P303 P305 W328	A204-T246 WeakPolarHBondContact O-CB 3Å; A204-T246 PolarHBondContact O-OG1 2.02Å; M206-T246 HydrophobicContact CG-CG2 3.86Å; M206-T246 HydrophobicContact SD-CG2 3.53Å; M206-T246 VanDerWaalsContact SD-CG2 3.53Å; T246-I248 VanDerWaalsContact C-N 3.26Å; T246-I248 PolarHBondContact O-N 2.79Å; T246-P303 CarbonylContact C-O 3.6Å; T246-P303 WeakPolarHBondContact CA-O 3.44Å; T246-P305 HydrophobicContact CG2-CB 3.97Å; T246-W328 PolarHBondContact N-O 2.95Å; T246-W328 PolarHBondContact O-N 3.38Å
247	H	95.8	Very high	90.8	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.347	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.5	48.7	179	-73.5	86	0	0	0	112.8	D203 A204 P303	D203-H247 PolarHBondContact O-CE1 2.79Å; A204-H247 WeakPolarHBondContact CA-ND1 3.37Å; A204-H247 PolarHBondContact O-ND1 2.81Å; H247-P303 PolarHBondContact N-O 2.81Å
248	I	97.6	Very high	91.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.9	179	-50.5	161.5	0	0	0	108.2	I241 A245 T246 V250 E301 V302 T306 L310 E326	I241-I248 HydrophobicContact CD1-CG2 3.67Å; I241-I248 HydrophobicContact CG2-CD1 3.82Å; I241-I248 HydrophobicContact CG2-CG1 4.1Å; I241-I248 HydrophobicContact CG2-CG2 4.31Å; A245-I248 HydrophobicContact CB-CD1 3.94Å; A245-I248 HydrophobicContact CB-CG1 3.99Å; T246-I248 VanDerWaalsContact C-N 3.26Å; T246-I248 PolarHBondContact O-N 2.79Å; I248-V250 HydrophobicContact CG2-CG2 4.46Å; I248-E301 WeakPolarHBondContact O-CA 3.4Å; I248-V302 HydrophobicContact CB-CB 4.11Å; I248-V302 HydrophobicContact CD1-CB 4.11Å; I248-V302 HydrophobicContact CD1-CG1 4.12Å; I248-V302 PolarHBondContact N-O 3.15Å; I248-V302 PolarHBondContact O-N 3.26Å; I248-T306 HydrophobicContact CD1-CG2 3.58Å; I248-L310 HydrophobicContact CD1-CD1 4.47Å; I248-E326 CarbonylContact C-O 3.53Å; I248-E326 WeakPolarHBondContact CA-O 3.35Å
249	R	97.9	Very high	91.9	Very high	116 Å²	116	30.2 Å²	30.2	44%	0.438	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.2	175.6	-170.8	177.8	-155.6	-158	2.1	110.1	E301 Y325 E326	R249-E301 HydrophobicContact CB-CG 4.39Å; R249-E301 HydrophobicContact CG-CG 3.88Å; R249-E301 IonicContact CZ-OE1 2.88Å; R249-E301 IonicContact NE-OE1 3.69Å; R249-E301 PolarHBondContact NE-OE1 2.78Å; R249-E301 VanDerWaalsContact NE-OE1 3.09Å; R249-E301 IonicContact NH2-OE1 3.09Å; R249-E301 PolarHBondContact NH2-OE1 3.07Å; R249-Y325 WeakPolarHBondContact O-CA 3.3Å; R249-E326 HydrophobicContact CB-CG 3.89Å; R249-E326 PolarHBondContact N-O 2.89Å; R249-E326 PolarHBondContact O-N 2.85Å
250	V	97.7	Very high	92.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.6	176.4	-174.5	0	0	0	0	108.9	I241 I248 L258 S299 F300 L312 I323 E324	I241-V250 HydrophobicContact CD1-CG2 4.48Å; I248-V250 HydrophobicContact CG2-CG2 4.46Å; V250-L258 HydrophobicContact CG1-CD1 3.86Å; V250-L258 HydrophobicContact CG1-CD2 4.34Å; V250-S299 CarbonylContact O-C 3.58Å; V250-S299 WeakPolarHBondContact O-CA 3.32Å; V250-S299 WeakPolarHBondContact O-CB 3.45Å; V250-F300 HydrophobicContact CB-CD1 4.04Å; V250-F300 HydrophobicContact CB-CE1 3.69Å; V250-F300 HydrophobicContact CB-CE2 4.24Å; V250-F300 HydrophobicContact CB-CG 4.48Å; V250-F300 HydrophobicContact CB-CZ 3.81Å; V250-F300 HydrophobicContact CG1-CE1 4.08Å; V250-F300 HydrophobicContact CG1-CZ 4.45Å; V250-F300 HydrophobicContact CG2-CD1 4.48Å; V250-F300 HydrophobicContact CG2-CD2 4.41Å; V250-F300 HydrophobicContact CG2-CE1 3.8Å; V250-F300 HydrophobicContact CG2-CE2 3.7Å; V250-F300 HydrophobicContact CG2-CZ 3.36Å; V250-F300 PolarHBondContact N-O 3.31Å; V250-F300 PolarHBondContact O-N 3.03Å; V250-L312 HydrophobicContact CB-CD2 4.49Å; V250-L312 HydrophobicContact CG1-CD1 4.01Å; V250-L312 HydrophobicContact CG1-CD2 3.66Å; V250-L312 HydrophobicContact CG2-CD1 4.46Å; V250-L312 HydrophobicContact CG2-CD2 3.95Å; V250-I323 HydrophobicContact CG1-CG2 3.81Å; V250-E324 WeakPolarHBondContact CA-O 3.3Å
251	T	95.5	Very high	92.5	Very high	34 Å²	34	29.4 Å²	29.4	21%	0.209	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.7	-180	53.2	0	0	0	0	110.9	E324	T251-E324 PolarHBondContact N-O 2.78Å; T251-E324 PolarHBondContact O-N 2.91Å
252	D	92.8	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.2	171.5	-173.5	-11.5	0	0	0	109	S254 N256 L258 W297 E298 I323	D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.37Å; D252-S254 PolarHBondContact OD1-N 3.33Å; D252-S254 VanDerWaalsContact OD1-N 3.12Å; D252-S254 PolarHBondContact OD1-OG 3.1Å; D252-S254 PolarHBondContact OD2-OG 3.3Å; D252-N256 WeakPolarHBondContact OD2-CB 3.38Å; D252-L258 HydrophobicContact CB-CD1 3.97Å; D252-L258 HydrophobicContact CB-CD2 3.97Å; D252-L258 HydrophobicContact CB-CG 3.98Å; D252-W297 CarbonylContact O-C 3.6Å; D252-W297 WeakPolarHBondContact O-CA 3.48Å; D252-W297 VanDerWaalsContact O-CB 3.3Å; D252-W297 WeakPolarHBondContact O-CB 3.35Å; D252-E298 PolarHBondContact N-O 2.77Å; D252-E298 PolarHBondContact O-N 2.97Å; D252-I323 HydrophobicContact CB-CG1 4.13Å
253	N	91.1	Very high	91.2	Very high	109 Å²	109	32.3 Å²	32.3	58%	0.583	17%	0.169	S	C	*	.			trans	-103.6	51	179.7	-66	-55.3	0	0	0	110.5	T296	N253-T296 CarbonylContact C-O 3.52Å
254	S	87.7	Confident	90.4	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-143.8	-172.6	179.4	74.7	0	0	0	0	111.6	D252 N256 T296	D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.37Å; D252-S254 PolarHBondContact OD1-N 3.33Å; D252-S254 VanDerWaalsContact OD1-N 3.12Å; D252-S254 PolarHBondContact OD1-OG 3.1Å; D252-S254 PolarHBondContact OD2-OG 3.3Å; S254-N256 WeakPolarHBondContact OG-CB 3.36Å; S254-N256 PolarHBondContact OG-N 3.3Å; S254-N256 PolarHBondContact OG-ND2 3.2Å; S254-T296 PolarHBondContact N-O 2.76Å; S254-T296 CarbonylContact O-C 3.6Å
255	R	85.8	Confident	89.6	Confident	138 Å²	138	42.8 Å²	42.8	52%	0.521	21%	0.209	S	C	.	.	S	Bend	trans	-91.1	2.6	176.1	-70.2	171.8	174.6	170.7	-5.2	114.1	D295 T317 D318	R255-D295 HydrophobicContact CG-CB 4.45Å; R255-D295 VanDerWaalsContact CG-O 3.22Å; R255-D295 WeakPolarHBondContact CG-O 3.31Å; R255-D295 PolarHBondContact NE-O 2.86Å; R255-T317 VanDerWaalsContact C-OG1 3.25Å; R255-T317 PolarHBondContact O-OG1 2.93Å; R255-D318 HydrophobicContact CB-CB 3.92Å; R255-D318 WeakPolarHBondContact CD-OD2 3.3Å
256	N	86.6	Confident	88.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.235	C	C	.	.			trans	-67.8	160.2	175.8	-62.7	-48.6	0	0	0	110.8	D252 S254 V314 A316 T317 D318	D252-N256 WeakPolarHBondContact OD2-CB 3.38Å; S254-N256 WeakPolarHBondContact OG-CB 3.36Å; S254-N256 PolarHBondContact OG-N 3.3Å; S254-N256 PolarHBondContact OG-ND2 3.2Å; N256-V314 HydrophobicContact CB-CG2 3.72Å; N256-A316 VanDerWaalsContact OD1-CA 3.24Å; N256-A316 WeakPolarHBondContact OD1-CA 3.36Å; N256-T317 WeakPolarHBondContact CA-OG1 3.48Å; N256-T317 PolarHBondContact OD1-N 2.7Å; N256-T317 PolarHBondContact OD1-OG1 3.16Å; N256-D318 PolarHBondContact ND2-O 3.36Å; N256-D318 VanDerWaalsContact ND2-O 3.13Å; N256-D318 PolarHBondContact OD1-N 3.06Å; N256-D318 PolarHBondContact OD1-O 2.84Å
257	Y	89.5	Confident	88.4	Confident	44 Å²	44	50.5 Å²	50.5	17%	0.173	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.4	-179.1	-66.7	-92	0	0	0	109.8	I275 R292 E298 V314 L315 T317	Y257-I275 HydrophobicContact CD1-CD1 4.37Å; Y257-I275 HydrophobicContact CD1-CG1 4.01Å; Y257-I275 HydrophobicContact CD1-CG2 4.47Å; Y257-I275 HydrophobicContact CE1-CD1 3.46Å; Y257-I275 VanDerWaalsContact CE1-CD1 3.46Å; Y257-I275 HydrophobicContact CE1-CG1 3.59Å; Y257-I275 HydrophobicContact CE1-CG2 4.21Å; Y257-R292 PolarHBondContact OH-NH2 3.23Å; Y257-E298 WeakPolarHBondContact CD1-OE1 3.27Å; Y257-V314 WeakPolarHBondContact O-CA 3.47Å; Y257-L315 PolarHBondContact N-O 2.84Å; Y257-L315 PolarHBondContact O-N 3.39Å; Y257-T317 HydrophobicContact CD2-CG2 3.94Å; Y257-T317 HydrophobicContact CE2-CG2 3.96Å
258	L	93.7	Very high	88.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.9	170.6	-65	179.5	0	0	0	108.8	V250 D252 N270 E298 F300 L312 I323	V250-L258 HydrophobicContact CG1-CD1 3.86Å; V250-L258 HydrophobicContact CG1-CD2 4.34Å; D252-L258 HydrophobicContact CB-CD1 3.97Å; D252-L258 HydrophobicContact CB-CD2 3.97Å; D252-L258 HydrophobicContact CB-CG 3.98Å; L258-N270 VanDerWaalsContact O-CB 3.27Å; L258-N270 WeakPolarHBondContact O-CB 3.48Å; L258-N270 PolarHBondContact O-ND2 3.41Å; L258-E298 WeakPolarHBondContact CB-OE2 3.48Å; L258-E298 HydrophobicContact CD1-CB 3.96Å; L258-E298 HydrophobicContact CG-CB 4.16Å; L258-E298 PolarHBondContact N-OE2 3.41Å; L258-F300 HydrophobicContact CD1-CD1 4.48Å; L258-L312 HydrophobicContact CD2-CD1 4.44Å; L258-I323 HydrophobicContact CD2-CD1 3.85Å; L258-I323 HydrophobicContact CD2-CG1 4.23Å; L258-I323 HydrophobicContact CD2-CG2 3.84Å
259	A	93.2	Very high	88.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.9	171.5	0	0	0	0	0	111	Y235 F267 I269 N270 M313	Y235-A259 HydrophobicContact CD1-CB 3.54Å; Y235-A259 HydrophobicContact CE1-CB 3.53Å; A259-F267 HydrophobicContact CB-CD1 4.05Å; A259-F267 HydrophobicContact CB-CE1 3.93Å; A259-I269 VanDerWaalsContact CA-O 3.23Å; A259-I269 WeakPolarHBondContact CA-O 3.48Å; A259-N270 HydrophobicContact CB-CB 3.91Å; A259-N270 WeakPolarHBondContact CB-O 3.47Å; A259-M313 HydrophobicContact CB-CB 4.22Å; A259-M313 PolarHBondContact N-O 3.11Å; A259-M313 WeakPolarHBondContact O-CA 3.4Å; A259-M313 PolarHBondContact O-N 3.32Å
260	L	95.8	Very high	87.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	-178.9	-169	68.6	0	0	0	110	F267 V268 I269 V283 L288 F300 L310	L260-F267 WeakPolarHBondContact O-CA 3.05Å; L260-V268 PolarHBondContact O-N 2.95Å; L260-I269 HydrophobicContact CB-CD1 4.35Å; L260-I269 HydrophobicContact CB-CG1 3.71Å; L260-I269 PolarHBondContact N-O 3.22Å; L260-I269 VanDerWaalsContact N-O 3.07Å; L260-V283 HydrophobicContact CD2-CG2 4.4Å; L260-L288 HydrophobicContact CD2-CD1 3.28Å; L260-F300 HydrophobicContact CD1-CE2 4.4Å; L260-F300 HydrophobicContact CD1-CZ 3.88Å; L260-F300 HydrophobicContact CD2-CE2 4.1Å; L260-F300 HydrophobicContact CD2-CZ 4.21Å; L260-F300 HydrophobicContact CG-CZ 4.47Å; L260-L310 HydrophobicContact CD1-CB 4.11Å; L260-L310 HydrophobicContact CD2-CD1 4.34Å
261	Q	85.4	Confident	87.2	Confident	29 Å²	29	43.2 Å²	43.2	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.2	168.9	-65.2	-174.2	-5.1	0	0	111.2	Q266 F267 L310 H311 M313	Q261-Q266 VanDerWaalsContact CA-O 3.3Å; Q261-Q266 WeakPolarHBondContact CA-O 3.13Å; Q261-F267 HydrophobicContact CG-CD1 3.56Å; Q261-F267 HydrophobicContact CG-CE1 3.73Å; Q261-F267 HydrophobicContact CG-CG 4.03Å; Q261-F267 HydrophobicContact CG-CZ 4.32Å; Q261-L310 WeakPolarHBondContact O-CA 3.48Å; Q261-H311 HydrophobicContact CB-CB 4.31Å; Q261-H311 PolarHBondContact N-O 3.04Å; Q261-H311 PolarHBondContact O-N 3.43Å; Q261-M313 HydrophobicContact CG-CG 4.5Å
262	N	81.4	Confident	86.4	Confident	16 Å²	16	47.9 Å²	47.9	9%	0.086	24%	0.242	C	C	.	.			trans	-79.8	175.8	166.5	70.8	2.1	0	0	0	112.1	R264 S265 Q266 D309 L310	N262-R264 PolarHBondContact O-N 2.89Å; N262-R264 WeakPolarHBondContact OD1-CA 3.41Å; N262-R264 WeakPolarHBondContact OD1-CB 3.42Å; N262-R264 PolarHBondContact OD1-N 3.2Å; N262-S265 PolarHBondContact O-N 3.44Å; N262-S265 PolarHBondContact OD1-N 2.95Å; N262-Q266 PolarHBondContact N-O 3.13Å; N262-Q266 PolarHBondContact ND2-OE1 2.84Å; N262-Q266 WeakPolarHBondContact OD1-CB 3.37Å; N262-Q266 PolarHBondContact OD1-N 3.48Å; N262-Q266 PolarHBondContact OD1-O 2.84Å; N262-D309 CarbonylContact C-O 3.53Å; N262-L310 HydrophobicContact CB-CD2 4.37Å
263	G	72.6	Confident	85.8	Confident	46 Å²	46	56.8 Å²	56.8	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	1.4	176.5	0	0	0	0	0	115.5	D309	G263-D309 WeakPolarHBondContact CA-O 3.48Å; G263-D309 PolarHBondContact N-O 2.84Å
264	R	73.6	Confident	85.5	Confident	185 Å²	185	59.2 Å²	59.2	70%	0.698	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	10.7	173	-49	-178.4	-172.3	-162.4	-1.4	112.4	N262 Q266	N262-R264 PolarHBondContact O-N 2.89Å; N262-R264 WeakPolarHBondContact OD1-CA 3.41Å; N262-R264 WeakPolarHBondContact OD1-CB 3.42Å; N262-R264 PolarHBondContact OD1-N 3.2Å; R264-Q266 HydrophobicContact CB-CG 4.13Å; R264-Q266 PolarHBondContact O-N 2.03Å
265	S	75.3	Confident	85.6	Confident	82 Å²	82	62.3 Å²	62.3	57%	0.573	30%	0.296	S	S	*	.	S	Bend	trans	58.5	25.7	-174.4	-55.6	0	0	0	0	114.6	N262	N262-S265 PolarHBondContact O-N 3.44Å; N262-S265 PolarHBondContact OD1-N 2.95Å
266	Q	81.3	Confident	85.9	Confident	114 Å²	114	56.9 Å²	56.9	53%	0.533	28%	0.28	S	S	.	.			trans	-93.4	126.9	175.7	-57.5	173.4	-48.1	0	0	109.5	Q261 N262 R264	Q261-Q266 VanDerWaalsContact CA-O 3.3Å; Q261-Q266 WeakPolarHBondContact CA-O 3.13Å; N262-Q266 PolarHBondContact N-O 3.13Å; N262-Q266 PolarHBondContact ND2-OE1 2.84Å; N262-Q266 WeakPolarHBondContact OD1-CB 3.37Å; N262-Q266 PolarHBondContact OD1-N 3.48Å; N262-Q266 PolarHBondContact OD1-O 2.84Å; R264-Q266 HydrophobicContact CB-CG 4.13Å; R264-Q266 PolarHBondContact O-N 2.03Å
267	F	87.3	Confident	86.2	Confident	57 Å²	57	62 Å²	62	25%	0.25	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.7	176.1	-72	-75.4	0	0	0	111.7	Y235 A259 L260 Q261 N270	Y235-F267 HydrophobicContact CD1-CE1 4.28Å; Y235-F267 HydrophobicContact CD2-CE1 4.22Å; Y235-F267 AromaticContact CD2-CZ 3.75Å; Y235-F267 HydrophobicContact CD2-CZ 3.75Å; Y235-F267 HydrophobicContact CE2-CZ 4.25Å; Y235-F267 HydrophobicContact CG-CE1 4.06Å; Y235-F267 AromaticContact CG-CZ 3.96Å; Y235-F267 HydrophobicContact CG-CZ 3.96Å; A259-F267 HydrophobicContact CB-CD1 4.05Å; A259-F267 HydrophobicContact CB-CE1 3.93Å; L260-F267 WeakPolarHBondContact O-CA 3.05Å; Q261-F267 HydrophobicContact CG-CD1 3.56Å; Q261-F267 HydrophobicContact CG-CE1 3.73Å; Q261-F267 HydrophobicContact CG-CG 4.03Å; Q261-F267 HydrophobicContact CG-CZ 4.32Å; F267-N270 WeakPolarHBondContact CB-O 3.49Å; F267-N270 WeakPolarHBondContact CD1-O 3.34Å; F267-N270 WeakPolarHBondContact CG-O 3.39Å
268	V	92.9	Very high	86.5	Confident	28 Å²	28	63.4 Å²	63.4	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-52.6	177	178.4	0	0	0	0	110.5	L260 V283	L260-V268 PolarHBondContact O-N 2.95Å; V268-V283 HydrophobicContact CG1-CB 3.95Å; V268-V283 HydrophobicContact CG1-CG2 4.44Å; V268-V283 HydrophobicContact CG2-CB 4.15Å; V268-V283 HydrophobicContact CG2-CG2 3.87Å
269	I	94.9	Very high	86.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.8	173.7	50.9	154.9	0	0	0	109.8	A259 L260 S276 Y281 L288 Y290 F300	A259-I269 VanDerWaalsContact CA-O 3.23Å; A259-I269 WeakPolarHBondContact CA-O 3.48Å; L260-I269 HydrophobicContact CB-CD1 4.35Å; L260-I269 HydrophobicContact CB-CG1 3.71Å; L260-I269 PolarHBondContact N-O 3.22Å; L260-I269 VanDerWaalsContact N-O 3.07Å; I269-S276 WeakPolarHBondContact CA-OG 3.39Å; I269-Y281 HydrophobicContact CG2-CD1 4.09Å; I269-Y281 HydrophobicContact CG2-CD2 3.46Å; I269-Y281 VanDerWaalsContact CG2-CD2 3.46Å; I269-Y281 HydrophobicContact CG2-CE1 4.35Å; I269-Y281 HydrophobicContact CG2-CE2 3.76Å; I269-Y281 HydrophobicContact CG2-CG 3.66Å; I269-L288 HydrophobicContact CD1-CD1 4.07Å; I269-L288 HydrophobicContact CD1-CD2 4.05Å; I269-L288 HydrophobicContact CG1-CD1 4.18Å; I269-L288 HydrophobicContact CG1-CD2 4.35Å; I269-L288 HydrophobicContact CG2-CD2 3.75Å; I269-Y290 HydrophobicContact CD1-CD2 3.69Å; I269-Y290 HydrophobicContact CD1-CE2 4.17Å; I269-Y290 HydrophobicContact CD1-CG 4.21Å; I269-Y290 HydrophobicContact CG2-CD1 4.42Å; I269-Y290 HydrophobicContact CG2-CG 4.19Å; I269-F300 HydrophobicContact CD1-CB 4.04Å; I269-F300 HydrophobicContact CD1-CD1 3.55Å; I269-F300 HydrophobicContact CD1-CE1 4.14Å; I269-F300 HydrophobicContact CD1-CG 3.9Å
270	N	91.7	Very high	86.6	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	36%	0.362	C	S	.	.	S	Bend	trans	52.5	142.5	-171.3	-64.6	-19.6	0	0	0	113.8	L258 A259 F267 I275 S276 Y290 E298	L258-N270 VanDerWaalsContact O-CB 3.27Å; L258-N270 WeakPolarHBondContact O-CB 3.48Å; L258-N270 PolarHBondContact O-ND2 3.41Å; A259-N270 HydrophobicContact CB-CB 3.91Å; A259-N270 WeakPolarHBondContact CB-O 3.47Å; F267-N270 WeakPolarHBondContact CB-O 3.49Å; F267-N270 WeakPolarHBondContact CD1-O 3.34Å; F267-N270 WeakPolarHBondContact CG-O 3.39Å; N270-I275 WeakPolarHBondContact OD1-CA 3.45Å; N270-S276 PolarHBondContact N-OG 2.88Å; N270-S276 VanDerWaalsContact N-OG 3.09Å; N270-S276 PolarHBondContact OD1-N 3.2Å; N270-Y290 PolarHBondContact ND2-OH 3.41Å; N270-Y290 PolarHBondContact OD1-OH 2.93Å; N270-E298 PolarHBondContact ND2-OE2 3.31Å
271	G	83.5	Confident	86.5	Confident	7 Å²	7	72.9 Å²	72.9	7%	0.072	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	150	166.9	-179.1	0	0	0	0	0	113.1	Y235 W273 K274	Y235-G271 WeakPolarHBondContact OH-CA 3.49Å; Y235-G271 PolarHBondContact OH-N 2.85Å; G271-W273 PolarHBondContact O-N 2.95Å; G271-W273 VanDerWaalsContact O-N 3.11Å; G271-K274 PolarHBondContact N-O 2.75Å; G271-K274 WeakPolarHBondContact O-CB 3.42Å; G271-K274 PolarHBondContact O-N 3.36Å
272	N	79.1	Confident	86.9	Confident	132 Å²	132	76.7 Å²	76.7	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	33.7	-176.1	-55.2	-30.7	0	0	0	112.7	K274	N272-K274 PolarHBondContact O-N 3.16Å
273	W	79.4	Confident	87.6	Confident	188 Å²	188	76.3 Å²	76.3	71%	0.712	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	18.4	-174.1	-46.3	99.7	0	0	0	115.2	G271 L315	G271-W273 PolarHBondContact O-N 2.95Å; G271-W273 VanDerWaalsContact O-N 3.11Å; W273-L315 HydrophobicContact CE3-CD2 4.26Å; W273-L315 HydrophobicContact CZ3-CD1 3.96Å; W273-L315 HydrophobicContact CZ3-CD2 4.19Å
274	K	85.8	Confident	88.5	Confident	159 Å²	159	74.3 Å²	74.3	69%	0.691	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-110.1	141.2	174.7	-176.6	176.1	177.7	-176.9	0	111.1	G271 N272	G271-K274 PolarHBondContact N-O 2.75Å; G271-K274 WeakPolarHBondContact O-CB 3.42Å; G271-K274 PolarHBondContact O-N 3.36Å; N272-K274 PolarHBondContact O-N 3.16Å
275	I	88.8	Confident	89.4	Confident	79 Å²	79	68.3 Å²	68.3	41%	0.405	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-90.9	134.6	173	-55.3	163.5	0	0	0	108.7	Y257 N270	Y257-I275 HydrophobicContact CD1-CD1 4.37Å; Y257-I275 HydrophobicContact CD1-CG1 4.01Å; Y257-I275 HydrophobicContact CD1-CG2 4.47Å; Y257-I275 HydrophobicContact CE1-CD1 3.46Å; Y257-I275 VanDerWaalsContact CE1-CD1 3.46Å; Y257-I275 HydrophobicContact CE1-CG1 3.59Å; Y257-I275 HydrophobicContact CE1-CG2 4.21Å; N270-I275 WeakPolarHBondContact OD1-CA 3.45Å
276	S	92.2	Very high	90.3	Very high	24 Å²	24	65.6 Å²	65.6	17%	0.168	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-76.2	154.6	172.5	-80.1	0	0	0	0	111.6	I269 N270 Y281	I269-S276 WeakPolarHBondContact CA-OG 3.39Å; N270-S276 PolarHBondContact N-OG 2.88Å; N270-S276 VanDerWaalsContact N-OG 3.09Å; N270-S276 PolarHBondContact OD1-N 3.2Å; S276-Y281 WeakPolarHBondContact CB-OH 3.34Å
277	V	93	Very high	90.9	Very high	107 Å²	107	64.6 Å²	64.6	65%	0.648	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-84.9	140.8	173.3	-176.8	0	0	0	0	108.2	G279 Y281	V277-G279 PolarHBondContact O-N 2.98Å; V277-Y281 PolarHBondContact N-OH 3.01Å; V277-Y281 WeakPolarHBondContact O-CE2 3.38Å; V277-Y281 PolarHBondContact O-OH 3.12Å; V277-Y281 VanDerWaalsContact O-OH 3.07Å
278	P	95	Very high	91.3	Very high	74 Å²	74	61.9 Å²	61.9	48%	0.481	34%	0.339	S	S	.	.	S	Bend	trans	-54.9	134.1	171.8	-26.9	36.5	0	0	0	111.7	Y290 R292	P278-Y290 CarbonylContact C-O 3.59Å; P278-Y290 WeakPolarHBondContact CA-O 3.08Å; P278-R292 HydrophobicContact CG-CB 4.21Å
279	G	94.1	Very high	91.5	Very high	26 Å²	26	63.4 Å²	63.4	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.8	-170.2	-173.2	0	0	0	0	0	113.9	V277 Y290	V277-G279 PolarHBondContact O-N 2.98Å; G279-Y290 PolarHBondContact N-O 3.2Å; G279-Y290 PolarHBondContact O-N 2.96Å
280	E	94.8	Very high	91.6	Very high	111 Å²	111	63.5 Å²	63.5	52%	0.519	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.2	178.1	-66.4	-169.7	148.3	0	0	113	K287 L288 L289	E280-K287 WeakPolarHBondContact OE1-CD 3.42Å; E280-K287 IonicContact OE1-NZ 3.79Å; E280-K287 PolarHBondContact OE1-NZ 2.87Å; E280-K287 WeakPolarHBondContact OE2-CE 3.39Å; E280-K287 IonicContact OE2-NZ 2.85Å; E280-K287 PolarHBondContact OE2-NZ 2.83Å; E280-L288 CarbonylContact C-O 3.54Å; E280-L288 VanDerWaalsContact CA-O 3.29Å; E280-L288 WeakPolarHBondContact CA-O 3.48Å; E280-L289 HydrophobicContact CG-CD1 4.37Å
281	Y	94.9	Very high	91.8	Very high	62 Å²	62	67.3 Å²	67.3	24%	0.243	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.5	176.6	-70.5	-92.8	0	0	0	110.3	I269 S276 V277 K287 L288 Y290	I269-Y281 HydrophobicContact CG2-CD1 4.09Å; I269-Y281 HydrophobicContact CG2-CD2 3.46Å; I269-Y281 VanDerWaalsContact CG2-CD2 3.46Å; I269-Y281 HydrophobicContact CG2-CE1 4.35Å; I269-Y281 HydrophobicContact CG2-CE2 3.76Å; I269-Y281 HydrophobicContact CG2-CG 3.66Å; S276-Y281 WeakPolarHBondContact CB-OH 3.34Å; V277-Y281 PolarHBondContact N-OH 3.01Å; V277-Y281 WeakPolarHBondContact O-CE2 3.38Å; V277-Y281 PolarHBondContact O-OH 3.12Å; V277-Y281 VanDerWaalsContact O-OH 3.07Å; Y281-K287 CarbonylContact O-C 3.55Å; Y281-K287 WeakPolarHBondContact O-CA 3.34Å; Y281-L288 HydrophobicContact CD2-CD2 4.31Å; Y281-L288 PolarHBondContact N-O 2.94Å; Y281-L288 PolarHBondContact O-N 3.44Å; Y281-Y290 HydrophobicContact CE2-CD1 4.39Å
282	S	94.4	Very high	92.1	Very high	109 Å²	109	69.4 Å²	69.4	76%	0.762	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.1	174.9	-60.5	0	0	0	0	111
283	V	94.4	Very high	92.5	Very high	8 Å²	8	65 Å²	65	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	139.4	-177.1	55.9	0	0	0	0	111.4	L260 V268 G285 T286 L288 L310	L260-V283 HydrophobicContact CD2-CG2 4.4Å; V268-V283 HydrophobicContact CG1-CB 3.95Å; V268-V283 HydrophobicContact CG1-CG2 4.44Å; V268-V283 HydrophobicContact CG2-CB 4.15Å; V268-V283 HydrophobicContact CG2-CG2 3.87Å; V283-G285 PolarHBondContact O-N 3.28Å; V283-T286 PolarHBondContact N-O 2.76Å; V283-T286 CarbonylContact O-C 3.53Å; V283-T286 VanDerWaalsContact O-CG2 3.28Å; V283-T286 WeakPolarHBondContact O-CG2 3.31Å; V283-T286 PolarHBondContact O-N 3.2Å; V283-L288 HydrophobicContact CG1-CB 3.63Å; V283-L288 HydrophobicContact CG1-CD1 4.39Å; V283-L310 HydrophobicContact CG2-CD1 4.16Å; V283-L310 HydrophobicContact CG2-CD2 3.54Å
284	A	92.4	Very high	92.2	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.033	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	34.7	173.3	0	0	0	0	0	115.3	T286 T306 Q307 E308 L310	A284-T286 VanDerWaalsContact C-N 3.3Å; A284-T286 PolarHBondContact O-N 2.81Å; A284-T306 HydrophobicContact CB-CG2 4.15Å; A284-Q307 WeakPolarHBondContact O-CB 3.3Å; A284-Q307 WeakPolarHBondContact O-CG 3.44Å; A284-Q307 PolarHBondContact O-N 3.26Å; A284-E308 HydrophobicContact CB-CG 3.68Å; A284-L310 HydrophobicContact CB-CD1 4.46Å; A284-L310 HydrophobicContact CB-CD2 4.02Å; A284-L310 HydrophobicContact CB-CG 4.43Å
285	G	91.5	Very high	91.6	Very high	60 Å²	60	55.8 Å²	55.8	62%	0.619	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	9.3	-178.2	0	0	0	0	0	116.1	V283	V283-G285 PolarHBondContact O-N 3.28Å
286	T	94.1	Very high	91.3	Very high	25 Å²	25	55.9 Å²	55.9	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	-173.4	177	-171	0	0	0	0	110.5	V283 A284 V302 G304	V283-T286 PolarHBondContact N-O 2.76Å; V283-T286 CarbonylContact O-C 3.53Å; V283-T286 VanDerWaalsContact O-CG2 3.28Å; V283-T286 WeakPolarHBondContact O-CG2 3.31Å; V283-T286 PolarHBondContact O-N 3.2Å; A284-T286 VanDerWaalsContact C-N 3.3Å; A284-T286 PolarHBondContact O-N 2.81Å; T286-V302 HydrophobicContact CG2-CG1 3.5Å; T286-G304 WeakPolarHBondContact CB-O 3.41Å; T286-G304 PolarHBondContact OG1-N 3.43Å; T286-G304 PolarHBondContact OG1-O 2.76Å
287	K	93.9	Very high	91.2	Very high	92 Å²	92	59.3 Å²	59.3	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	152.9	173.2	-69.9	-170.5	-179.5	-172	0	111.6	E280 Y281 V302 P303	E280-K287 WeakPolarHBondContact OE1-CD 3.42Å; E280-K287 IonicContact OE1-NZ 3.79Å; E280-K287 PolarHBondContact OE1-NZ 2.87Å; E280-K287 WeakPolarHBondContact OE2-CE 3.39Å; E280-K287 IonicContact OE2-NZ 2.85Å; E280-K287 PolarHBondContact OE2-NZ 2.83Å; Y281-K287 CarbonylContact O-C 3.55Å; Y281-K287 WeakPolarHBondContact O-CA 3.34Å; K287-V302 WeakPolarHBondContact O-CG1 3.16Å; K287-P303 VanDerWaalsContact O-CD 3.28Å; K287-P303 WeakPolarHBondContact O-CD 3.05Å
288	L	95.8	Very high	91.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.6	165.6	177.5	152.9	0	0	0	108.9	L260 I269 E280 Y281 V283 F300 E301 V302	L260-L288 HydrophobicContact CD2-CD1 3.28Å; I269-L288 HydrophobicContact CD1-CD1 4.07Å; I269-L288 HydrophobicContact CD1-CD2 4.05Å; I269-L288 HydrophobicContact CG1-CD1 4.18Å; I269-L288 HydrophobicContact CG1-CD2 4.35Å; I269-L288 HydrophobicContact CG2-CD2 3.75Å; E280-L288 CarbonylContact C-O 3.54Å; E280-L288 VanDerWaalsContact CA-O 3.29Å; E280-L288 WeakPolarHBondContact CA-O 3.48Å; Y281-L288 HydrophobicContact CD2-CD2 4.31Å; Y281-L288 PolarHBondContact N-O 2.94Å; Y281-L288 PolarHBondContact O-N 3.44Å; V283-L288 HydrophobicContact CG1-CB 3.63Å; V283-L288 HydrophobicContact CG1-CD1 4.39Å; L288-F300 HydrophobicContact CD1-CB 4.21Å; L288-F300 HydrophobicContact CD1-CD2 3.61Å; L288-F300 HydrophobicContact CD1-CE2 4.09Å; L288-F300 HydrophobicContact CD1-CG 3.98Å; L288-F300 HydrophobicContact CD2-CB 3.99Å; L288-F300 HydrophobicContact CG-CB 4.08Å; L288-F300 HydrophobicContact CG-CD2 4.1Å; L288-F300 HydrophobicContact CG-CG 4.36Å; L288-E301 WeakPolarHBondContact CA-O 3.04Å; L288-V302 HydrophobicContact CB-CG2 3.75Å; L288-V302 HydrophobicContact CD1-CG2 3.7Å; L288-V302 HydrophobicContact CG-CG2 3.74Å
289	L	97	Very high	91.3	Very high	61 Å²	61	51.2 Å²	51.2	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.9	170.8	177	51.7	0	0	0	109.5	E280 R291 F300 E301	E280-L289 HydrophobicContact CG-CD1 4.37Å; L289-R291 VanDerWaalsContact CD2-NH2 3.31Å; L289-R291 HydrophobicContact CG-CG 4.42Å; L289-F300 VanDerWaalsContact O-CA 3.27Å; L289-F300 WeakPolarHBondContact O-CA 3.47Å; L289-E301 PolarHBondContact N-O 3.1Å; L289-E301 PolarHBondContact O-N 2.84Å
290	Y	97.1	Very high	91.5	Very high	1 Å²	1	50 Å²	50	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.8	-178.9	176.4	-127	0	0	0	110.8	I269 N270 P278 G279 Y281 E298 F300	I269-Y290 HydrophobicContact CD1-CD2 3.69Å; I269-Y290 HydrophobicContact CD1-CE2 4.17Å; I269-Y290 HydrophobicContact CD1-CG 4.21Å; I269-Y290 HydrophobicContact CG2-CD1 4.42Å; I269-Y290 HydrophobicContact CG2-CG 4.19Å; N270-Y290 PolarHBondContact ND2-OH 3.41Å; N270-Y290 PolarHBondContact OD1-OH 2.93Å; P278-Y290 CarbonylContact C-O 3.59Å; P278-Y290 WeakPolarHBondContact CA-O 3.08Å; G279-Y290 PolarHBondContact N-O 3.2Å; G279-Y290 PolarHBondContact O-N 2.96Å; Y281-Y290 HydrophobicContact CE2-CD1 4.39Å; Y290-E298 HydrophobicContact CE2-CG 4.48Å; Y290-E298 PolarHBondContact OH-OE1 3.21Å; Y290-E298 PolarHBondContact OH-OE2 3.02Å; Y290-F300 HydrophobicContact CD2-CB 4.41Å
291	R	95.7	Very high	91.6	Very high	84 Å²	84	47 Å²	47	32%	0.317	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	179	-52.5	-168.7	-159.8	97.3	-3.2	110.1	L289 W297 S299 E301	L289-R291 VanDerWaalsContact CD2-NH2 3.31Å; L289-R291 HydrophobicContact CG-CG 4.42Å; R291-W297 HydrophobicContact CB-CH2 3.78Å; R291-W297 HydrophobicContact CB-CZ3 3.69Å; R291-W297 WeakPolarHBondContact O-CZ3 3.36Å; R291-S299 PolarHBondContact N-O 3.3Å; R291-S299 PolarHBondContact O-N 3.28Å; R291-E301 IonicContact CZ-OE2 3.39Å; R291-E301 VanDerWaalsContact CZ-OE2 3.22Å; R291-E301 IonicContact NH1-OE1 3.74Å; R291-E301 PolarHBondContact NH1-OE1 3.44Å; R291-E301 IonicContact NH1-OE2 3.67Å; R291-E301 PolarHBondContact NH1-OE2 2.82Å; R291-E301 IonicContact NH2-OE2 3.02Å; R291-E301 PolarHBondContact NH2-OE2 2.95Å
292	R	91.2	Very high	91.7	Very high	51 Å²	51	44.1 Å²	44.1	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138.9	-176.1	177.2	174.7	-155.4	-80.5	-20.3	110.6	Y257 P278 A294 E298	Y257-R292 PolarHBondContact OH-NH2 3.23Å; P278-R292 HydrophobicContact CG-CB 4.21Å; R292-A294 PolarHBondContact NH1-O 3.2Å; R292-A294 PolarHBondContact NH2-O 2.84Å; R292-E298 HydrophobicContact CB-CG 4.13Å; R292-E298 WeakPolarHBondContact CD-OE1 3.26Å; R292-E298 HydrophobicContact CG-CG 3.74Å; R292-E298 IonicContact CZ-OE1 3.63Å; R292-E298 IonicContact NE-OE1 2.69Å; R292-E298 PolarHBondContact NE-OE1 3.01Å; R292-E298 IonicContact NH2-OE1 3.73Å
293	S	87.4	Confident	91.7	Very high	40 Å²	40	42 Å²	42	28%	0.28	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.9	157.4	173.2	0	0	0	0	109	D295 T296 W297	S293-D295 VanDerWaalsContact C-N 3.27Å; S293-D295 PolarHBondContact O-N 3.09Å; S293-D295 VanDerWaalsContact O-N 3.07Å; S293-T296 VanDerWaalsContact CB-OG1 3.23Å; S293-T296 WeakPolarHBondContact CB-OG1 3.45Å; S293-T296 PolarHBondContact OG-OG1 2.9Å; S293-W297 PolarHBondContact N-O 3.39Å
294	A	73.1	Confident	91.5	Very high	60 Å²	60	42 Å²	42	50%	0.496	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.4	-165.4	0	0	0	0	0	114.8	R292	R292-A294 PolarHBondContact NH1-O 3.2Å; R292-A294 PolarHBondContact NH2-O 2.84Å
295	D	71.7	Confident	91.7	Very high	93 Å²	93	45.1 Å²	45.1	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	24.6	-173.6	-59.9	-78.6	0	0	0	113.5	R255 S293	R255-D295 HydrophobicContact CG-CB 4.45Å; R255-D295 VanDerWaalsContact CG-O 3.22Å; R255-D295 WeakPolarHBondContact CG-O 3.31Å; R255-D295 PolarHBondContact NE-O 2.86Å; S293-D295 VanDerWaalsContact C-N 3.27Å; S293-D295 PolarHBondContact O-N 3.09Å; S293-D295 VanDerWaalsContact O-N 3.07Å
296	T	82.9	Confident	91.8	Very high	82 Å²	82	42.5 Å²	42.5	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-29.2	-175.1	61.1	0	0	0	0	117.4	N253 S254 S293	N253-T296 CarbonylContact C-O 3.52Å; S254-T296 PolarHBondContact N-O 2.76Å; S254-T296 CarbonylContact O-C 3.6Å; S293-T296 VanDerWaalsContact CB-OG1 3.23Å; S293-T296 WeakPolarHBondContact CB-OG1 3.45Å; S293-T296 PolarHBondContact OG-OG1 2.9Å
297	W	90.9	Very high	91.6	Very high	95 Å²	95	48.4 Å²	48.4	36%	0.36	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	152.2	175.3	61.9	-94.6	0	0	0	112.9	D252 R291 S293 S299	D252-W297 CarbonylContact O-C 3.6Å; D252-W297 WeakPolarHBondContact O-CA 3.48Å; D252-W297 VanDerWaalsContact O-CB 3.3Å; D252-W297 WeakPolarHBondContact O-CB 3.35Å; R291-W297 HydrophobicContact CB-CH2 3.78Å; R291-W297 HydrophobicContact CB-CZ3 3.69Å; R291-W297 WeakPolarHBondContact O-CZ3 3.36Å; S293-W297 PolarHBondContact N-O 3.39Å; W297-S299 VanDerWaalsContact CZ3-OG 3.3Å; W297-S299 WeakPolarHBondContact CZ3-OG 3.48Å
298	E	93.8	Very high	91.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.3	167.2	-76.2	-172.9	-173.9	0	0	110.2	D252 Y257 L258 N270 Y290 R292	D252-E298 PolarHBondContact N-O 2.77Å; D252-E298 PolarHBondContact O-N 2.97Å; Y257-E298 WeakPolarHBondContact CD1-OE1 3.27Å; L258-E298 WeakPolarHBondContact CB-OE2 3.48Å; L258-E298 HydrophobicContact CD1-CB 3.96Å; L258-E298 HydrophobicContact CG-CB 4.16Å; L258-E298 PolarHBondContact N-OE2 3.41Å; N270-E298 PolarHBondContact ND2-OE2 3.31Å; Y290-E298 HydrophobicContact CE2-CG 4.48Å; Y290-E298 PolarHBondContact OH-OE1 3.21Å; Y290-E298 PolarHBondContact OH-OE2 3.02Å; R292-E298 HydrophobicContact CB-CG 4.13Å; R292-E298 WeakPolarHBondContact CD-OE1 3.26Å; R292-E298 HydrophobicContact CG-CG 3.74Å; R292-E298 IonicContact CZ-OE1 3.63Å; R292-E298 IonicContact NE-OE1 2.69Å; R292-E298 PolarHBondContact NE-OE1 3.01Å; R292-E298 IonicContact NH2-OE1 3.73Å
299	S	96.3	Very high	90.8	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.2	168.6	64.9	0	0	0	0	112.4	V250 R291 W297	V250-S299 CarbonylContact O-C 3.58Å; V250-S299 WeakPolarHBondContact O-CA 3.32Å; V250-S299 WeakPolarHBondContact O-CB 3.45Å; R291-S299 PolarHBondContact N-O 3.3Å; R291-S299 PolarHBondContact O-N 3.28Å; W297-S299 VanDerWaalsContact CZ3-OG 3.3Å; W297-S299 WeakPolarHBondContact CZ3-OG 3.48Å
300	F	97.4	Very high	90.5	Very high	1 Å²	1	46 Å²	46	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.7	164.8	68.2	-97.9	0	0	0	112.1	V250 L258 L260 I269 L288 L289 Y290 V302 L312	V250-F300 HydrophobicContact CB-CD1 4.04Å; V250-F300 HydrophobicContact CB-CE1 3.69Å; V250-F300 HydrophobicContact CB-CE2 4.24Å; V250-F300 HydrophobicContact CB-CG 4.48Å; V250-F300 HydrophobicContact CB-CZ 3.81Å; V250-F300 HydrophobicContact CG1-CE1 4.08Å; V250-F300 HydrophobicContact CG1-CZ 4.45Å; V250-F300 HydrophobicContact CG2-CD1 4.48Å; V250-F300 HydrophobicContact CG2-CD2 4.41Å; V250-F300 HydrophobicContact CG2-CE1 3.8Å; V250-F300 HydrophobicContact CG2-CE2 3.7Å; V250-F300 HydrophobicContact CG2-CZ 3.36Å; V250-F300 PolarHBondContact N-O 3.31Å; V250-F300 PolarHBondContact O-N 3.03Å; L258-F300 HydrophobicContact CD1-CD1 4.48Å; L260-F300 HydrophobicContact CD1-CE2 4.4Å; L260-F300 HydrophobicContact CD1-CZ 3.88Å; L260-F300 HydrophobicContact CD2-CE2 4.1Å; L260-F300 HydrophobicContact CD2-CZ 4.21Å; L260-F300 HydrophobicContact CG-CZ 4.47Å; I269-F300 HydrophobicContact CD1-CB 4.04Å; I269-F300 HydrophobicContact CD1-CD1 3.55Å; I269-F300 HydrophobicContact CD1-CE1 4.14Å; I269-F300 HydrophobicContact CD1-CG 3.9Å; L288-F300 HydrophobicContact CD1-CB 4.21Å; L288-F300 HydrophobicContact CD1-CD2 3.61Å; L288-F300 HydrophobicContact CD1-CE2 4.09Å; L288-F300 HydrophobicContact CD1-CG 3.98Å; L288-F300 HydrophobicContact CD2-CB 3.99Å; L288-F300 HydrophobicContact CG-CB 4.08Å; L288-F300 HydrophobicContact CG-CD2 4.1Å; L288-F300 HydrophobicContact CG-CG 4.36Å; L289-F300 VanDerWaalsContact O-CA 3.27Å; L289-F300 WeakPolarHBondContact O-CA 3.47Å; Y290-F300 HydrophobicContact CD2-CB 4.41Å; F300-V302 HydrophobicContact CD2-CG2 4.01Å; F300-V302 HydrophobicContact CE2-CG2 4.23Å; F300-L312 HydrophobicContact CE1-CD1 3.64Å; F300-L312 HydrophobicContact CZ-CD1 3.83Å
301	E	97.6	Very high	90	Very high	47 Å²	47	48.5 Å²	48.5	22%	0.22	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133	178.6	-77.4	156.2	-162	0	0	108.9	I248 R249 L288 L289 R291	I248-E301 WeakPolarHBondContact O-CA 3.4Å; R249-E301 HydrophobicContact CB-CG 4.39Å; R249-E301 HydrophobicContact CG-CG 3.88Å; R249-E301 IonicContact CZ-OE1 2.88Å; R249-E301 IonicContact NE-OE1 3.69Å; R249-E301 PolarHBondContact NE-OE1 2.78Å; R249-E301 VanDerWaalsContact NE-OE1 3.09Å; R249-E301 IonicContact NH2-OE1 3.09Å; R249-E301 PolarHBondContact NH2-OE1 3.07Å; L288-E301 WeakPolarHBondContact CA-O 3.04Å; L289-E301 PolarHBondContact N-O 3.1Å; L289-E301 PolarHBondContact O-N 2.84Å; R291-E301 IonicContact CZ-OE2 3.39Å; R291-E301 VanDerWaalsContact CZ-OE2 3.22Å; R291-E301 IonicContact NH1-OE1 3.74Å; R291-E301 PolarHBondContact NH1-OE1 3.44Å; R291-E301 IonicContact NH1-OE2 3.67Å; R291-E301 PolarHBondContact NH1-OE2 2.82Å; R291-E301 IonicContact NH2-OE2 3.02Å; R291-E301 PolarHBondContact NH2-OE2 2.95Å
302	V	96.9	Very high	89.8	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.7	176.5	178.9	0	0	0	0	107.7	I248 T286 K287 L288 F300 G304	I248-V302 HydrophobicContact CB-CB 4.11Å; I248-V302 HydrophobicContact CD1-CB 4.11Å; I248-V302 HydrophobicContact CD1-CG1 4.12Å; I248-V302 PolarHBondContact N-O 3.15Å; I248-V302 PolarHBondContact O-N 3.26Å; T286-V302 HydrophobicContact CG2-CG1 3.5Å; K287-V302 WeakPolarHBondContact O-CG1 3.16Å; L288-V302 HydrophobicContact CB-CG2 3.75Å; L288-V302 HydrophobicContact CD1-CG2 3.7Å; L288-V302 HydrophobicContact CG-CG2 3.74Å; F300-V302 HydrophobicContact CD2-CG2 4.01Å; F300-V302 HydrophobicContact CE2-CG2 4.23Å; V302-G304 VanDerWaalsContact C-N 3.31Å; V302-G304 PolarHBondContact O-N 2.82Å
303	P	93.9	Very high	89.6	Confident	65 Å²	65	43.1 Å²	43.1	42%	0.422	24%	0.238	S	C	.	.			trans	-59.4	-41.5	178.3	-26.2	36.3	0	0	0	112.4	M206 T246 H247 K287	M206-P303 HydrophobicContact CE-CB 3.97Å; M206-P303 WeakPolarHBondContact CE-O 3.09Å; T246-P303 CarbonylContact C-O 3.6Å; T246-P303 WeakPolarHBondContact CA-O 3.44Å; H247-P303 PolarHBondContact N-O 2.81Å; K287-P303 VanDerWaalsContact O-CD 3.28Å; K287-P303 WeakPolarHBondContact O-CD 3.05Å
304	G	91.5	Very high	89.6	Confident	8 Å²	8	41.4 Å²	41.4	8%	0.082	23%	0.226	C	C	.	.	S	Bend	trans	93.9	-158.2	-175.7	0	0	0	0	0	112.7	T286 V302	T286-G304 WeakPolarHBondContact CB-O 3.41Å; T286-G304 PolarHBondContact OG1-N 3.43Å; T286-G304 PolarHBondContact OG1-O 2.76Å; V302-G304 VanDerWaalsContact C-N 3.31Å; V302-G304 PolarHBondContact O-N 2.82Å
305	P	95.1	Very high	90.1	Very high	69 Å²	69	39.8 Å²	39.8	45%	0.448	21%	0.209	S	C	.	.			cis	-69.3	140.4	-18.9	32.2	-31.6	0	0	0	109.3	M206 A245 T246	M206-P305 HydrophobicContact SD-CB 4.42Å; M206-P305 VanDerWaalsContact SD-CD 3.59Å; M206-P305 HydrophobicContact SD-CG 4.4Å; A245-P305 WeakPolarHBondContact O-CA 3.36Å; T246-P305 HydrophobicContact CG2-CB 3.97Å
306	T	95.1	Very high	90.5	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	20%	0.2	C	C	.	.			trans	-69.9	131.9	179.4	48.3	0	0	0	0	111.8	P242 A243 G244 A245 I248 A284 L310	P242-T306 PolarHBondContact O-OG1 2.96Å; A243-T306 CarbonylContact C-O 3.54Å; A243-T306 WeakPolarHBondContact CA-OG1 3.07Å; G244-T306 PolarHBondContact N-O 2.79Å; G244-T306 PolarHBondContact N-OG1 3.19Å; G244-T306 VanDerWaalsContact N-OG1 3.13Å; A245-T306 PolarHBondContact N-OG1 2.76Å; A245-T306 PolarHBondContact O-N 2.91Å; A245-T306 VanDerWaalsContact O-N 3.15Å; I248-T306 HydrophobicContact CD1-CG2 3.58Å; A284-T306 HydrophobicContact CB-CG2 4.15Å; T306-L310 HydrophobicContact CG2-CD1 3.66Å; T306-L310 HydrophobicContact CG2-CG 4.36Å
307	Q	90.3	Very high	90.3	Very high	150 Å²	150	37.3 Å²	37.3	70%	0.701	20%	0.201	S	C	*	.	S	Bend	trans	-90.6	-10.7	177.5	-61.2	-177.9	25.2	0	0	113.9	A284	A284-Q307 WeakPolarHBondContact O-CB 3.3Å; A284-Q307 WeakPolarHBondContact O-CG 3.44Å; A284-Q307 PolarHBondContact O-N 3.26Å
308	E	87.1	Confident	89.6	Confident	49 Å²	49	36.2 Å²	36.2	23%	0.229	20%	0.202	C	C	.	.	S	Bend	trans	-142.7	155.8	176.6	63.6	-169.8	154.7	0	0	110	A284	A284-E308 HydrophobicContact CB-CG 3.68Å
309	D	85.9	Confident	88.6	Confident	52 Å²	52	46.4 Å²	46.4	28%	0.278	24%	0.241	S	C	.	.			trans	-61.6	142.6	173.9	-70.5	-9.8	0	0	0	110.3	M240 P242 A243 N262 G263	M240-D309 HydrophobicContact CG-CB 4.29Å; M240-D309 HydrophobicContact SD-CB 3.83Å; P242-D309 VanDerWaalsContact CA-OD1 3.31Å; P242-D309 WeakPolarHBondContact CA-OD1 3.37Å; A243-D309 PolarHBondContact N-OD1 2.91Å; N262-D309 CarbonylContact C-O 3.53Å; G263-D309 WeakPolarHBondContact CA-O 3.48Å; G263-D309 PolarHBondContact N-O 2.84Å
310	L	90.5	Very high	87.5	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	-179.6	-61.9	-179.4	0	0	0	110.8	M240 I241 I248 L260 Q261 N262 V283 A284 T306	M240-L310 CarbonylContact C-O 3.5Å; M240-L310 WeakPolarHBondContact CA-O 3.31Å; I241-L310 HydrophobicContact CB-CB 4.41Å; I241-L310 PolarHBondContact N-O 2.89Å; I241-L310 PolarHBondContact O-N 2.63Å; I248-L310 HydrophobicContact CD1-CD1 4.47Å; L260-L310 HydrophobicContact CD1-CB 4.11Å; L260-L310 HydrophobicContact CD2-CD1 4.34Å; Q261-L310 WeakPolarHBondContact O-CA 3.48Å; N262-L310 HydrophobicContact CB-CD2 4.37Å; V283-L310 HydrophobicContact CG2-CD1 4.16Å; V283-L310 HydrophobicContact CG2-CD2 3.54Å; A284-L310 HydrophobicContact CB-CD1 4.46Å; A284-L310 HydrophobicContact CB-CD2 4.02Å; A284-L310 HydrophobicContact CB-CG 4.43Å; T306-L310 HydrophobicContact CG2-CD1 3.66Å; T306-L310 HydrophobicContact CG2-CG 4.36Å
311	H	86.1	Confident	86.4	Confident	52 Å²	52	50.9 Å²	50.9	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.1	177.1	-64.8	-93.6	0	0	0	109.8	E237 Q261 M313	E237-H311 IonicContact OE1-CE1 3.93Å; E237-H311 IonicContact OE1-CG 2.91Å; E237-H311 IonicContact OE1-ND1 2.94Å; E237-H311 PolarHBondContact OE1-ND1 3.3Å; Q261-H311 HydrophobicContact CB-CB 4.31Å; Q261-H311 PolarHBondContact N-O 3.04Å; Q261-H311 PolarHBondContact O-N 3.43Å; H311-M313 HydrophobicContact CB-SD 4.14Å
312	L	92	Very high	85.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.6	170.7	176.4	61.4	0	0	0	108.5	V238 T239 I241 V250 L258 F300 I323 Y325	V238-L312 HydrophobicContact CB-CB 4.29Å; V238-L312 HydrophobicContact CB-CD2 4.03Å; V238-L312 HydrophobicContact CB-CG 3.8Å; V238-L312 WeakPolarHBondContact CB-O 3.42Å; V238-L312 HydrophobicContact CG1-CD2 3.57Å; V238-L312 HydrophobicContact CG1-CG 3.93Å; V238-L312 HydrophobicContact CG2-CG 4.28Å; V238-L312 PolarHBondContact N-O 3.16Å; T239-L312 HydrophobicContact CG2-CB 4.12Å; T239-L312 HydrophobicContact CG2-CD2 4.23Å; T239-L312 PolarHBondContact N-O 3.45Å; T239-L312 PolarHBondContact O-N 2.89Å; I241-L312 HydrophobicContact CD1-CB 4.48Å; V250-L312 HydrophobicContact CB-CD2 4.49Å; V250-L312 HydrophobicContact CG1-CD1 4.01Å; V250-L312 HydrophobicContact CG1-CD2 3.66Å; V250-L312 HydrophobicContact CG2-CD1 4.46Å; V250-L312 HydrophobicContact CG2-CD2 3.95Å; L258-L312 HydrophobicContact CD2-CD1 4.44Å; F300-L312 HydrophobicContact CE1-CD1 3.64Å; F300-L312 HydrophobicContact CZ-CD1 3.83Å; L312-I323 HydrophobicContact CD2-CG2 4.49Å; L312-Y325 HydrophobicContact CD2-CD1 4.27Å; L312-Y325 HydrophobicContact CD2-CG 4.44Å
313	M	86.2	Confident	85.6	Confident	22 Å²	22	49 Å²	49	11%	0.108	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.2	-176.9	-48.1	-65	-69.1	0	0	110.2	Y235 N236 E237 A259 Q261 H311	Y235-M313 WeakPolarHBondContact O-CE 3.39Å; N236-M313 CarbonylContact O-C 3.59Å; N236-M313 WeakPolarHBondContact O-CA 3.13Å; E237-M313 HydrophobicContact CB-CE 4.02Å; E237-M313 HydrophobicContact CB-SD 3.82Å; E237-M313 HydrophobicContact CG-SD 4Å; A259-M313 HydrophobicContact CB-CB 4.22Å; A259-M313 PolarHBondContact N-O 3.11Å; A259-M313 WeakPolarHBondContact O-CA 3.4Å; A259-M313 PolarHBondContact O-N 3.32Å; Q261-M313 HydrophobicContact CG-CG 4.5Å; H311-M313 HydrophobicContact CB-SD 4.14Å
314	V	88.1	Confident	85.6	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.2	169	63.3	0	0	0	0	111.3	Y222 Y235 N236 V238 N256 Y257 I323	Y222-V314 HydrophobicContact CE1-CG1 4.29Å; Y235-V314 WeakPolarHBondContact CA-O 3.44Å; N236-V314 HydrophobicContact CB-CG1 4.47Å; N236-V314 PolarHBondContact N-O 3.37Å; N236-V314 PolarHBondContact O-N 3.46Å; V238-V314 HydrophobicContact CG2-CB 3.91Å; V238-V314 HydrophobicContact CG2-CG1 3.63Å; N256-V314 HydrophobicContact CB-CG2 3.72Å; Y257-V314 WeakPolarHBondContact O-CA 3.47Å; V314-I323 HydrophobicContact CB-CD1 3.75Å; V314-I323 HydrophobicContact CG1-CD1 3.95Å; V314-I323 HydrophobicContact CG2-CD1 3.87Å
315	L	83.9	Confident	85.8	Confident	26 Å²	26	50 Å²	50	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.6	161.3	166.7	65.4	0	0	0	107.8	G234 Y235 Y257 W273	G234-L315 WeakPolarHBondContact O-CD1 3.28Å; Y235-L315 HydrophobicContact CD1-CB 3.59Å; Y235-L315 HydrophobicContact CE1-CB 3.42Å; Y235-L315 VanDerWaalsContact CE1-CB 3.42Å; Y235-L315 HydrophobicContact CE1-CD2 4.28Å; Y235-L315 HydrophobicContact CE1-CG 4.47Å; Y235-L315 HydrophobicContact CE2-CD2 4.48Å; Y235-L315 HydrophobicContact CG-CB 4.23Å; Y257-L315 PolarHBondContact N-O 2.84Å; Y257-L315 PolarHBondContact O-N 3.39Å; W273-L315 HydrophobicContact CE3-CD2 4.26Å; W273-L315 HydrophobicContact CZ3-CD1 3.96Å; W273-L315 HydrophobicContact CZ3-CD2 4.19Å
316	A	79	Confident	85.9	Confident	39 Å²	39	48.6 Å²	48.6	32%	0.322	25%	0.245	S	C	.	.			trans	-85.1	130.1	-176.3	0	0	0	0	0	112.1	L227 N256	L227-A316 HydrophobicContact CD2-CB 3.32Å; N256-A316 VanDerWaalsContact OD1-CA 3.24Å; N256-A316 WeakPolarHBondContact OD1-CA 3.36Å
317	T	78.4	Confident	86	Confident	84 Å²	84	48.4 Å²	48.4	52%	0.515	24%	0.244	S	C	.	.	S	Bend	trans	-130.4	-19.6	179.7	54.3	0	0	0	0	111.9	R255 N256 Y257	R255-T317 VanDerWaalsContact C-OG1 3.25Å; R255-T317 PolarHBondContact O-OG1 2.93Å; N256-T317 WeakPolarHBondContact CA-OG1 3.48Å; N256-T317 PolarHBondContact OD1-N 2.7Å; N256-T317 PolarHBondContact OD1-OG1 3.16Å; Y257-T317 HydrophobicContact CD2-CG2 3.94Å; Y257-T317 HydrophobicContact CE2-CG2 3.96Å
318	D	75.5	Confident	86.3	Confident	73 Å²	73	43.6 Å²	43.6	39%	0.39	22%	0.219	S	C	.	.	S	Bend	trans	-144.7	167	-177	-162.3	-7	0	0	0	109.6	R255 N256 N320	R255-D318 HydrophobicContact CB-CB 3.92Å; R255-D318 WeakPolarHBondContact CD-OD2 3.3Å; N256-D318 PolarHBondContact ND2-O 3.36Å; N256-D318 VanDerWaalsContact ND2-O 3.13Å; N256-D318 PolarHBondContact OD1-N 3.06Å; N256-D318 PolarHBondContact OD1-O 2.84Å; D318-N320 PolarHBondContact O-N 3.4Å
319	R	74.7	Confident	86.5	Confident	216 Å²	216	41.2 Å²	41.2	82%	0.815	21%	0.208	S	C	*	.			trans	-65.1	109.1	179.7	-175.1	-178.2	-177.9	-175.5	1.5	110.1	P321	R319-P321 VanDerWaalsContact O-CD 3.27Å; R319-P321 WeakPolarHBondContact O-CD 3.44Å
320	N	72.8	Confident	86.7	Confident	30 Å²	30	40.7 Å²	40.7	16%	0.16	21%	0.208	C	C	.	.			trans	-59.6	116.2	174.1	174.5	12.1	0	0	0	110.9	Y222 D318 G322 I323	Y222-N320 WeakPolarHBondContact CD1-ND2 3.38Å; Y222-N320 PolarHBondContact O-ND2 3.23Å; D318-N320 PolarHBondContact O-N 3.4Å; N320-G322 VanDerWaalsContact C-N 3.33Å; N320-G322 VanDerWaalsContact OD1-CA 3.3Å; N320-G322 WeakPolarHBondContact OD1-CA 3.39Å; N320-G322 PolarHBondContact OD1-N 2.83Å; N320-I323 PolarHBondContact OD1-N 2.04Å
321	P	74.7	Confident	86.3	Confident	74 Å²	74	43.8 Å²	43.8	48%	0.481	23%	0.228	S	C	.	.			trans	-78.6	-19.9	176	33.3	-35	0	0	0	112.8	Q223 R319	Q223-P321 PolarHBondContact NE2-O 2.9Å; R319-P321 VanDerWaalsContact O-CD 3.27Å; R319-P321 WeakPolarHBondContact O-CD 3.44Å
322	G	85.9	Confident	85.9	Confident	10 Å²	10	46.5 Å²	46.5	10%	0.103	24%	0.244	C	C	.	.			trans	142.3	114.3	-174.2	0	0	0	0	0	109.7	N320 E324	N320-G322 VanDerWaalsContact C-N 3.33Å; N320-G322 VanDerWaalsContact OD1-CA 3.3Å; N320-G322 WeakPolarHBondContact OD1-CA 3.39Å; N320-G322 PolarHBondContact OD1-N 2.83Å; G322-E324 PolarHBondContact O-N 2.81Å
323	I	90.8	Very high	85.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.5	167.8	-60.3	168.4	0	0	0	106.6	V221 Y222 V238 V250 D252 L258 L312 V314 N320	V221-I323 CarbonylContact C-O 3.55Å; V221-I323 WeakPolarHBondContact CA-O 3.31Å; Y222-I323 HydrophobicContact CD1-CD1 4.12Å; Y222-I323 PolarHBondContact N-O 3.17Å; Y222-I323 PolarHBondContact O-N 3.46Å; V238-I323 HydrophobicContact CG1-CG2 4.48Å; V238-I323 HydrophobicContact CG2-CD1 3.93Å; V250-I323 HydrophobicContact CG1-CG2 3.81Å; D252-I323 HydrophobicContact CB-CG1 4.13Å; L258-I323 HydrophobicContact CD2-CD1 3.85Å; L258-I323 HydrophobicContact CD2-CG1 4.23Å; L258-I323 HydrophobicContact CD2-CG2 3.84Å; L312-I323 HydrophobicContact CD2-CG2 4.49Å; V314-I323 HydrophobicContact CB-CD1 3.75Å; V314-I323 HydrophobicContact CG1-CD1 3.95Å; V314-I323 HydrophobicContact CG2-CD1 3.87Å; N320-I323 PolarHBondContact OD1-N 2.04Å
324	E	94.5	Very high	84.8	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	134.8	173	-59.5	-164.5	-159.5	0	0	109.7	K219 V221 V250 T251 G322	K219-E324 WeakPolarHBondContact CE-OE2 3.47Å; K219-E324 IonicContact NZ-OE2 3.75Å; K219-E324 PolarHBondContact NZ-OE2 3.3Å; V221-E324 HydrophobicContact CG1-CG 4.2Å; V221-E324 HydrophobicContact CG2-CG 4.03Å; V250-E324 WeakPolarHBondContact CA-O 3.3Å; T251-E324 PolarHBondContact N-O 2.78Å; T251-E324 PolarHBondContact O-N 2.91Å; G322-E324 PolarHBondContact O-N 2.81Å
325	Y	95.9	Very high	83.8	Confident	20 Å²	20	53.6 Å²	53.6	8%	0.078	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143	168.6	61	-93.8	0	0	0	111.4	H218 K219 S220 V238 T239 R249 L312 Y327	H218-Y325 AromaticContact NE2-CE2 3.85Å; K219-Y325 WeakPolarHBondContact CA-O 3.32Å; S220-Y325 VanDerWaalsContact CB-CZ 3.49Å; S220-Y325 PolarHBondContact N-O 3.25Å; S220-Y325 PolarHBondContact O-N 3.03Å; S220-Y325 VanDerWaalsContact O-O 3.14Å; S220-Y325 PolarHBondContact OG-OH 3.39Å; V238-Y325 HydrophobicContact CG1-CD1 4.17Å; V238-Y325 HydrophobicContact CG1-CE1 4.06Å; T239-Y325 HydrophobicContact CG2-CD1 4.26Å; T239-Y325 HydrophobicContact CG2-CD2 3.98Å; T239-Y325 HydrophobicContact CG2-CE1 3.98Å; T239-Y325 HydrophobicContact CG2-CE2 3.68Å; T239-Y325 HydrophobicContact CG2-CG 4.25Å; T239-Y325 PolarHBondContact OG1-OH 2.87Å; R249-Y325 WeakPolarHBondContact O-CA 3.3Å; L312-Y325 HydrophobicContact CD2-CD1 4.27Å; L312-Y325 HydrophobicContact CD2-CG 4.44Å; Y325-Y327 HydrophobicContact CD2-CD1 4.45Å; Y325-Y327 HydrophobicContact CD2-CE1 4.06Å; Y325-Y327 HydrophobicContact CE2-CE1 4.31Å
326	E	96.8	Very high	83.1	Confident	41 Å²	41	57.2 Å²	57.2	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153	175.4	61.9	-174.3	159.2	0	0	111.7	H217 H218 K219 I248 R249	H217-E326 IonicContact CE1-OE2 2.85Å; H217-E326 PolarHBondContact CE1-OE2 2.95Å; H217-E326 IonicContact NE2-OE2 2.7Å; H217-E326 PolarHBondContact NE2-OE2 3.44Å; H218-E326 CarbonylContact O-C 3.59Å; H218-E326 WeakPolarHBondContact O-CA 3.45Å; H218-E326 WeakPolarHBondContact O-CB 3.47Å; K219-E326 HydrophobicContact CB-CB 3.96Å; K219-E326 HydrophobicContact CD-CB 4.27Å; K219-E326 HydrophobicContact CG-CB 4.08Å; I248-E326 CarbonylContact C-O 3.53Å; I248-E326 WeakPolarHBondContact CA-O 3.35Å; R249-E326 HydrophobicContact CB-CG 3.89Å; R249-E326 PolarHBondContact N-O 2.89Å; R249-E326 PolarHBondContact O-N 2.85Å
327	Y	96.9	Very high	82.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	171	175.5	50.9	-99.3	0	0	0	110.3	H218 I241 A245 Y325 L329 H338	H218-Y327 HydrophobicContact CB-CD2 3.97Å; H218-Y327 HydrophobicContact CB-CE2 3.85Å; H218-Y327 HydrophobicContact CB-CG 4.48Å; H218-Y327 AromaticContact CD2-CE1 3.84Å; H218-Y327 AromaticContact CD2-CZ 3.65Å; H218-Y327 PolarHBondContact N-O 3.3Å; H218-Y327 PolarHBondContact O-N 3.04Å; H218-Y327 VanDerWaalsContact O-O 3.13Å; I241-Y327 HydrophobicContact CB-CD1 4.49Å; I241-Y327 HydrophobicContact CB-CE1 4.16Å; I241-Y327 HydrophobicContact CD1-CD1 4.32Å; I241-Y327 HydrophobicContact CD1-CE1 4.37Å; I241-Y327 HydrophobicContact CG1-CD1 4.23Å; I241-Y327 HydrophobicContact CG1-CE1 3.84Å; I241-Y327 HydrophobicContact CG2-CD1 3.69Å; I241-Y327 HydrophobicContact CG2-CD2 4.44Å; I241-Y327 HydrophobicContact CG2-CE1 3.75Å; I241-Y327 HydrophobicContact CG2-CG 4.03Å; A245-Y327 HydrophobicContact CB-CD2 4.29Å; Y325-Y327 HydrophobicContact CD2-CD1 4.45Å; Y325-Y327 HydrophobicContact CD2-CE1 4.06Å; Y325-Y327 HydrophobicContact CE2-CE1 4.31Å; Y327-L329 HydrophobicContact CD2-CD1 4.26Å; Y327-L329 HydrophobicContact CD2-CG 4.16Å; Y327-L329 HydrophobicContact CE2-CD1 3.8Å; Y327-L329 HydrophobicContact CE2-CG 4.22Å; Y327-H338 AromaticContact CE2-CE1 3.94Å; Y327-H338 AromaticContact CE2-NE2 3.54Å; Y327-H338 AromaticContact CZ-CE1 3.85Å; Y327-H338 AromaticContact CZ-NE2 3.9Å; Y327-H338 PolarHBondContact OH-CE1 2.84Å; Y327-H338 VanDerWaalsContact OH-CE1 3.23Å
328	W	96.6	Very high	81.7	Confident	49 Å²	49	55.5 Å²	55.5	19%	0.186	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.6	178.2	-62.3	73.7	0	0	0	110.9	A204 N212 L216 H217 A245 T246	A204-W328 HydrophobicContact CB-CD2 3.56Å; A204-W328 VanDerWaalsContact CB-CE2 3.41Å; A204-W328 HydrophobicContact CB-CE3 4.08Å; A204-W328 HydrophobicContact CB-CG 3.86Å; A204-W328 HydrophobicContact CB-CH2 4.27Å; A204-W328 HydrophobicContact CB-CZ2 3.81Å; A204-W328 HydrophobicContact CB-CZ3 4.39Å; N212-W328 HydrophobicContact CB-CH2 3.95Å; N212-W328 HydrophobicContact CB-CZ3 3.96Å; L216-W328 WeakPolarHBondContact O-CA 3.08Å; H217-W328 HydrophobicContact CB-CD2 3.83Å; H217-W328 HydrophobicContact CB-CE3 3.74Å; H217-W328 HydrophobicContact CB-CH2 3.8Å; H217-W328 HydrophobicContact CB-CZ2 3.83Å; H217-W328 HydrophobicContact CB-CZ3 3.75Å; H217-W328 AromaticContact CD2-CD1 3.97Å; H217-W328 AromaticContact CD2-CE2 3.5Å; H217-W328 AromaticContact CD2-CZ2 3.87Å; H217-W328 AromaticContact CD2-NE1 3.41Å; H217-W328 PolarHBondContact CD2-NE1 2.86Å; H217-W328 AromaticContact CG-CE2 3.87Å; H217-W328 AromaticContact CG-CZ2 3.89Å; A245-W328 WeakPolarHBondContact CA-O 3.28Å; T246-W328 PolarHBondContact N-O 2.95Å; T246-W328 PolarHBondContact O-N 3.38Å
329	L	92	Very high	80.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.5	-179.7	-79.4	171.9	0	0	0	112.7	C215 L216 P242 A245 Y327 Q333 Y334	C215-L329 CarbonylContact C-O 3.58Å; C215-L329 WeakPolarHBondContact CA-O 3.48Å; C215-L329 WeakPolarHBondContact CB-O 3.49Å; L216-L329 PolarHBondContact N-O 3.06Å; L216-L329 PolarHBondContact O-N 3.3Å; P242-L329 HydrophobicContact CG-CD1 3.71Å; P242-L329 HydrophobicContact CG-CD2 4.04Å; P242-L329 HydrophobicContact CG-CG 4.45Å; A245-L329 HydrophobicContact CB-CD2 4Å; Y327-L329 HydrophobicContact CD2-CD1 4.26Å; Y327-L329 HydrophobicContact CD2-CG 4.16Å; Y327-L329 HydrophobicContact CE2-CD1 3.8Å; Y327-L329 HydrophobicContact CE2-CG 4.22Å; L329-Q333 HydrophobicContact CD2-CB 4.26Å; L329-Y334 HydrophobicContact CB-CD2 4.31Å
330	P	89.4	Confident	78.6	Confident	41 Å²	41	54.4 Å²	54.4	27%	0.266	28%	0.279	S	S	.	.			trans	-49.5	143.8	163.8	-28.1	36.8	0	0	0	112.3	D332 Q333 Y334	P330-D332 VanDerWaalsContact C-N 3.29Å; P330-D332 WeakPolarHBondContact CB-OD1 3.2Å; P330-D332 PolarHBondContact O-N 3Å; P330-Q333 HydrophobicContact CB-CB 4.45Å; P330-Q333 HydrophobicContact CB-CG 4.26Å; P330-Q333 PolarHBondContact O-N 3.04Å; P330-Q333 VanDerWaalsContact O-N 3.11Å; P330-Y334 WeakPolarHBondContact O-CB 3.39Å; P330-Y334 PolarHBondContact O-N 3.27Å
331	P	83	Confident	76.9	Confident	66 Å²	66	58.8 Å²	58.8	43%	0.429	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-31.2	-169.7	-26.3	35.6	0	0	0	115.1	T214 L216 A335	T214-P331 WeakPolarHBondContact O-CD 3.34Å; L216-P331 HydrophobicContact CD1-CB 4.18Å; L216-P331 HydrophobicContact CG-CB 4.45Å; L216-P331 HydrophobicContact CG-CG 4.43Å; P331-A335 WeakPolarHBondContact O-CB 3.42Å; P331-A335 PolarHBondContact O-N 3.2Å
332	D	76	Confident	75.1	Confident	109 Å²	109	56.3 Å²	56.3	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-67.3	-46.2	174.7	61.3	-48	0	0	0	111.7	P330 A335 Q336	P330-D332 VanDerWaalsContact C-N 3.29Å; P330-D332 WeakPolarHBondContact CB-OD1 3.2Å; P330-D332 PolarHBondContact O-N 3Å; D332-A335 PolarHBondContact O-N 3.24Å; D332-Q336 PolarHBondContact O-N 2.91Å; D332-Q336 VanDerWaalsContact O-N 3.08Å
333	Q	77.9	Confident	72.7	Confident	51 Å²	51	59.9 Å²	59.9	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-43.2	175.7	-60.8	179.8	7.5	0	0	110.9	A243 L329 P330 A335 Q336 Y337	A243-Q333 PolarHBondContact O-OE1 2.66Å; L329-Q333 HydrophobicContact CD2-CB 4.26Å; P330-Q333 HydrophobicContact CB-CB 4.45Å; P330-Q333 HydrophobicContact CB-CG 4.26Å; P330-Q333 PolarHBondContact O-N 3.04Å; P330-Q333 VanDerWaalsContact O-N 3.11Å; Q333-A335 VanDerWaalsContact C-N 3.3Å; Q333-A335 PolarHBondContact O-N 3.28Å; Q333-Q336 WeakPolarHBondContact O-CB 3.08Å; Q333-Q336 PolarHBondContact O-N 3.26Å; Q333-Q336 VanDerWaalsContact O-N 3.12Å; Q333-Y337 VanDerWaalsContact O-CD2 3.22Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.14Å; Q333-Y337 PolarHBondContact O-N 3.11Å
334	Y	77.5	Confident	70.5	Confident	60 Å²	60	60.1 Å²	60.1	24%	0.235	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-44.3	175.8	-171.6	-81.4	0	0	0	111.2	L216 H218 L329 P330 Q336 Y337 H338	L216-Y334 HydrophobicContact CB-CD1 4.27Å; L216-Y334 HydrophobicContact CB-CD2 3.63Å; L216-Y334 HydrophobicContact CB-CE2 4.08Å; L216-Y334 HydrophobicContact CB-CG 3.75Å; L216-Y334 HydrophobicContact CD1-CD1 3.69Å; L216-Y334 HydrophobicContact CD1-CE1 4.34Å; L216-Y334 HydrophobicContact CD1-CG 3.83Å; L216-Y334 HydrophobicContact CG-CG 4.41Å; H218-Y334 HydrophobicContact CB-CE2 3.86Å; L329-Y334 HydrophobicContact CB-CD2 4.31Å; P330-Y334 WeakPolarHBondContact O-CB 3.39Å; P330-Y334 PolarHBondContact O-N 3.27Å; Y334-Q336 PolarHBondContact O-N 2.86Å; Y334-Y337 PolarHBondContact O-N 2.76Å; Y334-H338 HydrophobicContact CD1-CB 4.15Å; Y334-H338 AromaticContact CD2-CD2 3.63Å; Y334-H338 HydrophobicContact CE1-CB 3.79Å; Y334-H338 HydrophobicContact CE2-CB 4.45Å; Y334-H338 AromaticContact CE2-CD2 3.73Å; Y334-H338 AromaticContact CG-CD2 3.93Å; Y334-H338 WeakPolarHBondContact O-CB 3.44Å; Y334-H338 PolarHBondContact O-N 3.37Å
335	A	68.6	Low	68	Low	65 Å²	65	63.9 Å²	63.9	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.8	0	0	0	0	0	112.6	P331 D332 Q333 G339	P331-A335 WeakPolarHBondContact O-CB 3.42Å; P331-A335 PolarHBondContact O-N 3.2Å; D332-A335 PolarHBondContact O-N 3.24Å; Q333-A335 VanDerWaalsContact C-N 3.3Å; Q333-A335 PolarHBondContact O-N 3.28Å; A335-G339 PolarHBondContact O-N 2.81Å
336	Q	67.9	Low	65.5	Low	101 Å²	101	66.4 Å²	66.4	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-47.2	176.2	175.2	176.9	-32.3	0	0	112.3	D332 Q333 Y334	D332-Q336 PolarHBondContact O-N 2.91Å; D332-Q336 VanDerWaalsContact O-N 3.08Å; Q333-Q336 WeakPolarHBondContact O-CB 3.08Å; Q333-Q336 PolarHBondContact O-N 3.26Å; Q333-Q336 VanDerWaalsContact O-N 3.12Å; Y334-Q336 PolarHBondContact O-N 2.86Å
337	Y	62.8	Low	62.5	Low	43 Å²	43	68.6 Å²	68.6	17%	0.169	35%	0.349	C	S	.	.	H	α-helix	trans	-89.9	-28.7	-172.8	-68.7	-74.3	0	0	0	114.5	M240 P242 Q333 Y334 R341	M240-Y337 HydrophobicContact CE-CD1 3.84Å; M240-Y337 HydrophobicContact CE-CE1 3.66Å; P242-Y337 HydrophobicContact CB-CD1 3.95Å; P242-Y337 HydrophobicContact CB-CD2 3.67Å; P242-Y337 HydrophobicContact CB-CE1 3.67Å; P242-Y337 HydrophobicContact CB-CE2 3.41Å; P242-Y337 VanDerWaalsContact CB-CE2 3.41Å; P242-Y337 HydrophobicContact CB-CG 3.95Å; P242-Y337 HydrophobicContact CG-CD1 4.26Å; P242-Y337 HydrophobicContact CG-CD2 3.65Å; P242-Y337 HydrophobicContact CG-CE1 4.45Å; P242-Y337 HydrophobicContact CG-CE2 3.92Å; P242-Y337 HydrophobicContact CG-CG 3.84Å; Q333-Y337 VanDerWaalsContact O-CD2 3.22Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.14Å; Q333-Y337 PolarHBondContact O-N 3.11Å; Y334-Y337 PolarHBondContact O-N 2.76Å; Y337-R341 VanDerWaalsContact O-CZ 3.28Å; Y337-R341 PolarHBondContact O-NE 2.97Å; Y337-R341 PolarHBondContact O-NH2 3.43Å
338	H	64.9	Low	59.5	Low	44 Å²	44	73.3 Å²	73.3	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-110.1	-1.1	-175.2	-58.3	-75.1	0	0	0	115.1	H218 Y327 Y334 R340	H218-H338 AromaticContact CD2-CE1 3.37Å; H218-H338 PolarHBondContact CD2-CE1 2.84Å; H218-H338 AromaticContact CD2-ND1 3.96Å; H218-H338 AromaticContact CE1-CE1 3.59Å; H218-H338 AromaticContact CE1-ND1 3.37Å; H218-H338 PolarHBondContact CE1-ND1 3.41Å; H218-H338 AromaticContact CG-CE1 3.33Å; H218-H338 AromaticContact CG-ND1 3.75Å; H218-H338 AromaticContact CG-NE2 3.84Å; H218-H338 AromaticContact ND1-CE1 3.46Å; H218-H338 PolarHBondContact ND1-CE1 3.5Å; H218-H338 AromaticContact ND1-CG 4Å; H218-H338 AromaticContact ND1-ND1 3.36Å; H218-H338 PolarHBondContact ND1-ND1 3.3Å; H218-H338 AromaticContact NE2-CE1 3.51Å; H218-H338 AromaticContact NE2-ND1 3.71Å; Y327-H338 AromaticContact CE2-CE1 3.94Å; Y327-H338 AromaticContact CE2-NE2 3.54Å; Y327-H338 AromaticContact CZ-CE1 3.85Å; Y327-H338 AromaticContact CZ-NE2 3.9Å; Y327-H338 PolarHBondContact OH-CE1 2.84Å; Y327-H338 VanDerWaalsContact OH-CE1 3.23Å; Y334-H338 HydrophobicContact CD1-CB 4.15Å; Y334-H338 AromaticContact CD2-CD2 3.63Å; Y334-H338 HydrophobicContact CE1-CB 3.79Å; Y334-H338 HydrophobicContact CE2-CB 4.45Å; Y334-H338 AromaticContact CE2-CD2 3.73Å; Y334-H338 AromaticContact CG-CD2 3.93Å; Y334-H338 WeakPolarHBondContact O-CB 3.44Å; Y334-H338 PolarHBondContact O-N 3.37Å; H338-R340 PolarHBondContact O-N 3.48Å
339	G	47.9	Very low	56.3	Low	29 Å²	29	79.7 Å²	79.7	30%	0.299	40%	0.403	S	S	.	.	S	Bend	trans	-55.3	139	162	0	0	0	0	0	111.3	A335 R341 R476	A335-G339 PolarHBondContact O-N 2.81Å; G339-R341 PolarHBondContact O-N 3.5Å; G339-R341 VanDerWaalsContact O-N 3.11Å; G339-R476 VanDerWaalsContact C-NH1 3.34Å; G339-R476 PolarHBondContact O-NH1 3.26Å
340	R	37.3	Very low	53.4	Low	237 Å²	237	86.6 Å²	86.6	89%	0.894	45%	0.445	S	S	*	.			trans	-37.9	102.6	-170.8	-64	177.7	171.2	-172.9	-4.5	115.7	H338 R476	H338-R340 PolarHBondContact O-N 3.48Å; R340-R476 WeakPolarHBondContact O-CD 3.29Å; R340-R476 VanDerWaalsContact O-CG 3.32Å; R340-R476 WeakPolarHBondContact O-CG 3.41Å; R340-R476 PolarHBondContact O-NH1 3.41Å
341	R	36.8	Very low	50.6	Low	122 Å²	122	88.9 Å²	88.9	46%	0.46	47%	0.467	S	S	.	.			trans	-73.2	171.3	-175.2	-70.5	-167.2	-175.4	-169.5	6.1	115.4	Y337 G339	Y337-R341 VanDerWaalsContact O-CZ 3.28Å; Y337-R341 PolarHBondContact O-NE 2.97Å; Y337-R341 PolarHBondContact O-NH2 3.43Å; G339-R341 PolarHBondContact O-N 3.5Å; G339-R341 VanDerWaalsContact O-N 3.11Å
342	S	37	Very low	48.3	Very low	23 Å²	23	91.1 Å²	91.1	16%	0.161	49%	0.485	C	S	.	.			trans	-131.1	151.5	-165	-167.4	0	0	0	0	119.1	L344 R476 E478	S342-L344 VanDerWaalsContact C-N 3.31Å; S342-L344 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact O-N 3.16Å; S342-R476 VanDerWaalsContact CB-CD 3.47Å; S342-R476 WeakPolarHBondContact CB-O 3.5Å; S342-R476 VanDerWaalsContact OG-C 3.26Å; S342-R476 WeakPolarHBondContact OG-CA 3.34Å; S342-R476 PolarHBondContact OG-N 2.79Å; S342-R476 PolarHBondContact OG-O 3.31Å; S342-E478 PolarHBondContact N-OE1 3.24Å
343	P	36.8	Very low	45.9	Very low	85 Å²	85	96 Å²	96	55%	0.552	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	25.6	169.1	-17.6	33.1	0	0	0	118.7	N515	P343-N515 PolarHBondContact O-ND2 2.78Å
344	L	44.4	Very low	43.7	Very low	4 Å²	4	102.4 Å²	102.4	2%	0.021	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-25.3	-173.5	-66.5	-172.3	0	0	0	117	S342 Q346 F445 F475 R476 L477 R506 I517	S342-L344 VanDerWaalsContact C-N 3.31Å; S342-L344 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact O-N 3.16Å; L344-Q346 PolarHBondContact O-N 3.18Å; L344-F445 HydrophobicContact CD1-CD1 4.03Å; L344-F445 HydrophobicContact CD1-CE1 3.32Å; L344-F445 HydrophobicContact CD1-CE2 4.07Å; L344-F445 HydrophobicContact CD1-CZ 3.34Å; L344-F445 HydrophobicContact CD2-CE1 4.23Å; L344-F445 HydrophobicContact CD2-CE2 4.5Å; L344-F445 HydrophobicContact CD2-CZ 3.64Å; L344-F445 HydrophobicContact CG-CE1 4.32Å; L344-F445 HydrophobicContact CG-CZ 4.12Å; L344-F475 HydrophobicContact CD1-CB 4.22Å; L344-F475 HydrophobicContact CD2-CB 3.85Å; L344-F475 HydrophobicContact CD2-CD2 4.37Å; L344-F475 HydrophobicContact CD2-CG 4.23Å; L344-F475 HydrophobicContact CG-CB 3.97Å; L344-R476 WeakPolarHBondContact CD1-O 3.03Å; L344-R476 WeakPolarHBondContact CG-O 3.35Å; L344-L477 HydrophobicContact CD1-CD2 3.81Å; L344-L477 HydrophobicContact CD1-CG 4.49Å; L344-R506 HydrophobicContact CD2-CG 4.21Å; L344-I517 HydrophobicContact CD1-CD1 4.2Å; L344-I517 HydrophobicContact CD1-CG1 4.33Å
345	R	42.2	Very low	41.5	Very low	151 Å²	151	104.3 Å²	104.3	57%	0.57	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-74.1	116.3	176.1	-95.5	-172.3	165	-146.1	-2	110.6	E478 R480	R345-E478 HydrophobicContact CG-CG 4.47Å; R345-R480 PolarHBondContact NE-O 2.92Å; R345-R480 PolarHBondContact NH2-O 3.47Å
346	Q	43.1	Very low	39.8	Very low	73 Å²	73	113 Å²	113	34%	0.341	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-92.6	126.5	154.5	-83.9	-168.4	-42.8	0	0	110	L344 T513 N515	L344-Q346 PolarHBondContact O-N 3.18Å; Q346-T513 PolarHBondContact NE2-O 2.75Å; Q346-N515 HydrophobicContact CG-CB 4.11Å; Q346-N515 WeakPolarHBondContact CG-O 3.44Å; Q346-N515 PolarHBondContact OE1-O 3.09Å
347	A	34.6	Very low	37.9	Very low	87 Å²	87	111.9 Å²	111.9	72%	0.719	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-72.1	143.6	156.9	0	0	0	0	0	109	H349	A347-H349 PolarHBondContact O-N 3.37Å
348	H	32.5	Very low	36.5	Very low	100 Å²	100	119 Å²	119	46%	0.463	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-80	118.5	169.6	-80.5	-60.7	0	0	0	109.3	T350 R457 W484	H348-T350 PolarHBondContact O-N 2.91Å; H348-R457 PolarHBondContact NE2-NH1 3Å; H348-W484 AromaticContact CE1-CH2 3.96Å; H348-W484 AromaticContact CE1-CZ2 3.97Å; H348-W484 AromaticContact NE2-CH2 3.71Å; H348-W484 AromaticContact NE2-CZ2 3.65Å
349	H	30.7	Very low	35.8	Very low	183 Å²	183	122.2 Å²	122.2	85%	0.847	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-61.5	120.3	165.1	-66.7	-93.6	0	0	0	109.7	A347 A351	A347-H349 PolarHBondContact O-N 3.37Å; H349-A351 VanDerWaalsContact C-N 3.32Å; H349-A351 PolarHBondContact O-N 3.28Å; H349-A351 VanDerWaalsContact O-N 3.07Å
350	T	29.5	Very low	34.8	Very low	144 Å²	144	127.7 Å²	127.7	88%	0.883	67%	0.666	S	S	*	*			trans	-78.1	83.9	167	47.1	0	0	0	0	109.2	H348 S352	H348-T350 PolarHBondContact O-N 2.91Å; T350-S352 PolarHBondContact O-N 3.04Å
351	A	31.4	Very low	34.3	Very low	89 Å²	89	122.7 Å²	122.7	74%	0.736	66%	0.662	S	S	*	*			trans	-72.5	116.8	178.4	0	0	0	0	0	111.5	H349	H349-A351 VanDerWaalsContact C-N 3.32Å; H349-A351 PolarHBondContact O-N 3.28Å; H349-A351 VanDerWaalsContact O-N 3.07Å
352	S	34.4	Very low	34.6	Very low	113 Å²	113	122 Å²	122	79%	0.79	67%	0.673	S	S	*	*			trans	34.9	108	143.7	-53	0	0	0	0	119.5	T350	T350-S352 PolarHBondContact O-N 3.04Å
353	Y	26	Very low	34.1	Very low	212 Å²	212	127.2 Å²	127.2	83%	0.831	70%	0.704	S	S	*	*			trans	-136.1	96.1	145.2	-164.1	-100.1	0	0	0	111.2	P355	Y353-P355 HydrophobicContact CD1-CG 4.43Å; Y353-P355 HydrophobicContact CE1-CG 3.73Å
354	F	31.1	Very low	33.6	Very low	186 Å²	186	128.4 Å²	128.4	82%	0.816	71%	0.71	S	S	*	*			trans	-92.5	142.1	161.1	-89.9	-82.2	0	0	0	108.9
355	P	31.8	Very low	32.8	Very low	100 Å²	100	134.9 Å²	134.9	65%	0.649	75%	0.75	S	S	*	*				-133.5	146.9	126.7	20.5	-2.1	0	0	0	112.2	Y353	Y353-P355 HydrophobicContact CD1-CG 4.43Å; Y353-P355 HydrophobicContact CE1-CG 3.73Å
356	R	31.8	Very low	32.2	Very low	247 Å²	247	132.7 Å²	132.7	93%	0.932	76%	0.758	S	S	*	*			trans	-140.3	117.6	171.6	-160.8	-177.6	-164.3	-167.3	5.4	109.1
357	G	29.4	Very low	31.5	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	78%	0.784	S	S	*	*			trans	167.9	101.3	-178.9	0	0	0	0	0	113.4
358	Q	33.2	Very low	31.5	Very low	191 Å²	191	140.5 Å²	140.5	89%	0.893	78%	0.784	S	S	*	*			trans	-109.5	-178.8	158.6	-62.8	-178.8	-63.4	0	0	107.1
359	P	49	Very low	31.7	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	80%	0.8	S	S	*	*			cis	-132.7	174.3	-3.5	41.4	-26.1	0	0	0	114.9
360	T	26.6	Very low	33.1	Very low	145 Å²	145	138.7 Å²	138.7	89%	0.89	80%	0.797	S	S	*	*			trans	-174.9	160	130.6	19.4	0	0	0	0	112.6
361	T	27.9	Very low	33	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	79%	0.789	S	S	*	*			trans	-131.3	-179.2	178.1	10.9	0	0	0	0	108.3
362	P	42.6	Very low	33	Very low	108 Å²	108	139 Å²	139	70%	0.701	79%	0.794	S	S	*	*			cis	-132.6	176	-21.2	37.1	-21.1	0	0	0	113.6
363	T	26.6	Very low	32.7	Very low	132 Å²	132	137.6 Å²	137.6	81%	0.81	79%	0.79	S	S	*	*			trans	-164.5	114.5	142.8	2	0	0	0	0	115.8
364	T	26.9	Very low	32.9	Very low	110 Å²	110	139.1 Å²	139.1	68%	0.675	79%	0.794	S	S	*	*			trans	39.1	125.6	137.5	55.9	0	0	0	0	125.3
365	T	27.6	Very low	32.8	Very low	140 Å²	140	139.5 Å²	139.5	86%	0.859	80%	0.795	S	S	*	*			trans	68.2	151	140	56.9	0	0	0	0	119.6
366	S	28.4	Very low	33.5	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	79%	0.793	S	S	*	*			cis	-148.7	158	21.7	178.6	0	0	0	0	115.4
367	R	30.4	Very low	33.5	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	78%	0.782	S	S	*	*			trans	-19.9	158	146	-92.4	171.9	161.5	175.6	-6.6	116.9
368	A	33.3	Very low	33.5	Very low	86 Å²	86	140.9 Å²	140.9	71%	0.711	78%	0.782	S	S	*	*			cis	-162.6	177.1	5.9	0	0	0	0	0	112.2
369	P	38	Very low	33.3	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	78%	0.783	S	S	*	*			trans	-112.3	-132	-172	29.4	-7.1	0	0	0	115.6
370	P	58.7	Low	32.5	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	78%	0.782	S	S	*	*				-129.9	-179.8	-100.5	42.7	-26.9	0	0	0	117.1
371	S	28.3	Very low	32.6	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	77%	0.774	S	S	*	*			trans	-157.3	123.2	164	57.3	0	0	0	0	111.2
372	T	30.1	Very low	32.7	Very low	137 Å²	137	142 Å²	142	84%	0.84	77%	0.767	S	S	*	*				57.2	145.8	92.5	66.7	0	0	0	0	117.8
373	A	29.8	Very low	32.2	Very low	85 Å²	85	143.5 Å²	143.5	70%	0.702	77%	0.768	S	S	*	*			cis	-177.7	160.4	-21.3	0	0	0	0	0	110.9
374	R	29.1	Very low	32.6	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	76%	0.764	S	S	*	*			trans	64.3	138	169.5	-61.2	179.8	171	-176.6	-3.4	116.4
375	K	29.3	Very low	33.4	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	76%	0.761	S	S	*	*			cis	66.8	146.3	38.4	-97.2	-168.6	-179.5	-173.9	0	114.8
376	P	45.9	Very low	33.4	Very low	94 Å²	94	144.6 Å²	144.6	61%	0.61	76%	0.759	S	S	*	*			cis	-148.4	-175.1	-5.7	45.1	-26.1	0	0	0	118.5
377	H	32	Very low	33.5	Very low	150 Å²	150	150.8 Å²	150.8	69%	0.694	77%	0.767	S	S	*	*			trans	79.3	116.3	143.7	-65.6	-41.3	0	0	0	125.8
378	W	30	Very low	33.5	Very low	209 Å²	209	147.2 Å²	147.2	79%	0.792	76%	0.764	S	S	*	*			trans	31.3	141.2	134.6	-48.2	118	0	0	0	124.6
379	F	29.8	Very low	33.7	Very low	211 Å²	211	149 Å²	149	93%	0.925	77%	0.769	S	S	*	*				-150.4	168.2	119	-110.1	-76.1	0	0	0	111.1
380	L	30.3	Very low	33.3	Very low	135 Å²	135	147.1 Å²	147.1	71%	0.707	76%	0.764	S	S	*	*			trans	-109.3	163.6	-178	-77.1	86.1	0	0	0	112.6
381	N	30.6	Very low	32.4	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	77%	0.766	S	S	*	*				176.1	129.2	124.6	-94.2	25.1	0	0	0	109.7
382	D	29.6	Very low	32.4	Very low	124 Å²	124	146.1 Å²	146.1	66%	0.663	77%	0.768	S	S	*	*				69.2	140.9	89.1	-74.8	-20.6	0	0	0	113.9
383	L	32.3	Very low	32.4	Very low	138 Å²	138	147.8 Å²	147.8	72%	0.723	77%	0.771	S	S	*	*			cis	-166.5	165.4	6.2	-107.1	164.7	0	0	0	107.1
384	N	33.4	Very low	32.4	Very low	137 Å²	137	152.5 Å²	152.5	73%	0.733	78%	0.778	S	S	*	*			cis	-148.9	-132.9	0.8	-157.4	-0.4	0	0	0	111.6
385	P	45	Very low	32.5	Very low	93 Å²	93	146.6 Å²	146.6	60%	0.604	77%	0.771	S	S	*	*			trans	-136.5	-163.1	-146.8	44.9	-21.1	0	0	0	118.5
386	Q	27.7	Very low	32.4	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	77%	0.772	S	S	*	*			trans	93	132	164.3	-49	-142.3	6.2	0	0	117.8
387	R	29.8	Very low	31.7	Very low	236 Å²	236	150.1 Å²	150.1	89%	0.891	78%	0.782	S	S	*	*			cis	-126.8	167.7	25.6	-67.8	178	176.7	-179.9	-0.8	115.2
388	L	31	Very low	31.6	Very low	161 Å²	161	151.7 Å²	151.7	84%	0.843	79%	0.789	S	S	*	*			trans	-115.8	174.9	-178.1	-89.8	165.2	0	0	0	110
389	P	37.7	Very low	31.8	Very low	124 Å²	124	150.5 Å²	150.5	81%	0.805	79%	0.792	S	S	*	*			cis	-135.6	-173.2	25	40.8	-20.3	0	0	0	117.7
390	A	29.7	Very low	32	Very low	84 Å²	84	148.9 Å²	148.9	69%	0.694	79%	0.788	S	S	*	*			trans	-113.8	-159.7	-174.2	0	0	0	0	0	110.4
391	P	39.1	Very low	32.4	Very low	130 Å²	130	148.6 Å²	148.6	84%	0.844	79%	0.794	S	S	*	*			cis	-135.2	177.8	-7.5	41.1	-23	0	0	0	116
392	G	28.2	Very low	33.1	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	79%	0.786	S	S	*	*			trans	-166.2	135	166.2	0	0	0	0	0	111.6
393	L	29.3	Very low	33.7	Very low	171 Å²	171	143.8 Å²	143.8	90%	0.895	77%	0.771	S	S	*	*			trans	-91.2	142.2	-172	-67	98.8	0	0	0	113.7
394	H	30.9	Very low	33.9	Very low	184 Å²	184	146.5 Å²	146.5	85%	0.852	77%	0.772	S	S	*	*			trans	-145.5	139.8	155.9	-106.3	-67.3	0	0	0	110.5
395	P	31	Very low	34.3	Very low	119 Å²	119	146.3 Å²	146.3	77%	0.773	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-78.7	137.4	176.4	-7.5	24.9	0	0	0	111.4
396	Q	27.4	Very low	33.9	Very low	186 Å²	186	146.4 Å²	146.4	87%	0.869	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-81.5	123.6	169.6	-71.6	-169.9	-5.9	0	0	111
397	H	30.3	Very low	34.3	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-78.6	129.9	163.8	-111.7	-88.2	0	0	0	109.8	Q399	H397-Q399 PolarHBondContact O-N 2.91Å
398	H	29.9	Very low	34.7	Very low	182 Å²	182	138.9 Å²	138.9	84%	0.843	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-64.7	119.3	163.1	-75.9	-17.6	0	0	0	109.7
399	Q	34.2	Very low	35.3	Very low	184 Å²	184	137.7 Å²	137.7	86%	0.86	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-90.3	130.1	165.1	-70.7	-176.2	-22.8	0	0	109.2	H397	H397-Q399 PolarHBondContact O-N 2.91Å
400	Q	34.1	Very low	35.4	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-74.5	153	169.6	-70.7	-176.5	-12.2	0	0	110.2	I402	Q400-I402 PolarHBondContact O-N 2.92Å
401	P	39	Very low	36	Very low	129 Å²	129	138.7 Å²	138.7	84%	0.838	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-65.9	122.3	178.9	26.4	-34	0	0	0	111.4
402	I	45.5	Very low	36.5	Very low	109 Å²	109	142.2 Å²	142.2	56%	0.559	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-54.9	134.4	-179.2	-61.1	170.8	0	0	0	111	Q400 E406	Q400-I402 PolarHBondContact O-N 2.92Å; I402-E406 HydrophobicContact CG2-CB 3.55Å; I402-E406 HydrophobicContact CG2-CG 4.41Å
403	S	42.7	Very low	37.4	Very low	50 Å²	50	142.6 Å²	142.6	35%	0.35	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-68.5	161	-177.5	73.2	0	0	0	0	113	L405 E406 R407	S403-L405 VanDerWaalsContact C-N 3.25Å; S403-L405 PolarHBondContact O-N 2.88Å; S403-E406 WeakPolarHBondContact CB-OE2 3.48Å; S403-E406 PolarHBondContact N-OE2 2.92Å; S403-E406 PolarHBondContact O-N 2.86Å; S403-E406 WeakPolarHBondContact OG-CG 3.16Å; S403-E406 PolarHBondContact OG-N 3.42Å; S403-E406 PolarHBondContact OG-OE2 3.45Å; S403-R407 PolarHBondContact O-N 2.84Å; S403-R407 VanDerWaalsContact O-N 3.15Å
404	R	35.7	Very low	38.5	Very low	194 Å²	194	140 Å²	140	73%	0.732	67%	0.671	S	S	*	*	H	α-helix	trans	-62.4	-33.4	175.4	-176.9	172	175.5	158.4	0.7	112.4	R407 E408	R404-R407 WeakPolarHBondContact O-CB 3.3Å; R404-R407 PolarHBondContact O-N 3.04Å; R404-E408 WeakPolarHBondContact CG-OE1 3.27Å; R404-E408 IonicContact CZ-OE1 2.67Å; R404-E408 IonicContact NE-OE1 2.88Å; R404-E408 PolarHBondContact NE-OE1 2.92Å; R404-E408 IonicContact NH2-OE1 2.68Å; R404-E408 WeakPolarHBondContact O-CG 3.27Å; R404-E408 PolarHBondContact O-N 3.34Å
405	L	41.4	Very low	39.5	Very low	134 Å²	134	136.6 Å²	136.6	70%	0.702	66%	0.658	S	S	*	*	H	α-helix	trans	-69.2	-45.4	178.4	-76	162.9	0	0	0	112	S403 R407 E408 E409	S403-L405 VanDerWaalsContact C-N 3.25Å; S403-L405 PolarHBondContact O-N 2.88Å; L405-R407 PolarHBondContact O-N 2.96Å; L405-E408 PolarHBondContact O-N 2.93Å; L405-E408 VanDerWaalsContact O-N 3.12Å; L405-E409 WeakPolarHBondContact O-CB 3.17Å; L405-E409 PolarHBondContact O-N 3.24Å
406	E	37.4	Very low	40.4	Very low	94 Å²	94	133.7 Å²	133.7	44%	0.439	64%	0.64	S	S	.	*	H	α-helix	trans	-61.7	-31.9	173.8	-70.9	161.8	102.6	0	0	112.3	I402 S403 N410	I402-E406 HydrophobicContact CG2-CB 3.55Å; I402-E406 HydrophobicContact CG2-CG 4.41Å; S403-E406 WeakPolarHBondContact CB-OE2 3.48Å; S403-E406 PolarHBondContact N-OE2 2.92Å; S403-E406 PolarHBondContact O-N 2.86Å; S403-E406 WeakPolarHBondContact OG-CG 3.16Å; S403-E406 PolarHBondContact OG-N 3.42Å; S403-E406 PolarHBondContact OG-OE2 3.45Å; E406-N410 WeakPolarHBondContact O-CB 3.39Å; E406-N410 PolarHBondContact O-N 2.93Å; E406-N410 VanDerWaalsContact O-N 3.11Å; E406-N410 PolarHBondContact O-ND2 2.9Å
407	R	36.1	Very low	41.5	Very low	160 Å²	160	133 Å²	133	60%	0.604	64%	0.641	S	S	*	*	H	α-helix	trans	-66.9	-45.1	173	-168	179.9	-60.3	-166.4	1.5	111.3	S403 R404 L405 H411	S403-R407 PolarHBondContact O-N 2.84Å; S403-R407 VanDerWaalsContact O-N 3.15Å; R404-R407 WeakPolarHBondContact O-CB 3.3Å; R404-R407 PolarHBondContact O-N 3.04Å; L405-R407 PolarHBondContact O-N 2.96Å; R407-H411 PolarHBondContact O-N 2.89Å; R407-H411 PolarHBondContact O-ND1 2.82Å
408	E	38.6	Very low	42.4	Very low	93 Å²	93	127.2 Å²	127.2	44%	0.435	62%	0.624	S	S	.	*	H	α-helix	trans	-70.2	-32.1	179.2	-72.3	169.6	-167.2	0	0	112.2	R404 L405 H411	R404-E408 WeakPolarHBondContact CG-OE1 3.27Å; R404-E408 IonicContact CZ-OE1 2.67Å; R404-E408 IonicContact NE-OE1 2.88Å; R404-E408 PolarHBondContact NE-OE1 2.92Å; R404-E408 IonicContact NH2-OE1 2.68Å; R404-E408 WeakPolarHBondContact O-CG 3.27Å; R404-E408 PolarHBondContact O-N 3.34Å; L405-E408 PolarHBondContact O-N 2.93Å; L405-E408 VanDerWaalsContact O-N 3.12Å; E408-H411 PolarHBondContact O-N 2.79Å
409	E	43.6	Very low	43.4	Very low	137 Å²	137	121.4 Å²	121.4	64%	0.64	60%	0.603	S	S	*	*	H	α-helix	trans	-72.4	-38.9	175.5	-162.3	164.5	-136	0	0	112.3	L405 H411 R412	L405-E409 WeakPolarHBondContact O-CB 3.17Å; L405-E409 PolarHBondContact O-N 3.24Å; E409-H411 PolarHBondContact O-N 2.84Å; E409-R412 PolarHBondContact O-N 3.04Å
410	N	39.3	Very low	43.8	Very low	106 Å²	106	119.3 Å²	119.3	57%	0.567	61%	0.605	S	S	*	*	H	α-helix	trans	-61.4	-30.4	172	-85.8	-65.3	0	0	0	113.3	E406 R412 N413	E406-N410 WeakPolarHBondContact O-CB 3.39Å; E406-N410 PolarHBondContact O-N 2.93Å; E406-N410 VanDerWaalsContact O-N 3.11Å; E406-N410 PolarHBondContact O-ND2 2.9Å; N410-R412 PolarHBondContact O-N 3Å; N410-N413 PolarHBondContact O-N 3.44Å
411	H	43.3	Very low	44.8	Very low	123 Å²	123	114.7 Å²	114.7	57%	0.569	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-69.5	-15.7	175.1	-76.9	67.9	0	0	0	113.3	R407 E408 E409 L414	R407-H411 PolarHBondContact O-N 2.89Å; R407-H411 PolarHBondContact O-ND1 2.82Å; E408-H411 PolarHBondContact O-N 2.79Å; E409-H411 PolarHBondContact O-N 2.84Å; H411-L414 WeakPolarHBondContact O-CD1 3.4Å
412	R	49.4	Very low	45.4	Very low	204 Å²	204	113.9 Å²	113.9	77%	0.77	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-86.6	-7.7	176.1	-69.2	-178.2	170.1	176.9	-2.1	114.3	E409 N410	E409-R412 PolarHBondContact O-N 3.04Å; N410-R412 PolarHBondContact O-N 3Å
413	N	46.3	Very low	46.2	Very low	81 Å²	81	116.6 Å²	116.6	43%	0.433	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-95	8.3	175.4	-71.3	-40.8	0	0	0	113.5	N410 Y456	N410-N413 PolarHBondContact O-N 3.44Å; N413-Y456 WeakPolarHBondContact O-CE2 3.44Å
414	L	51.7	Low	47.2	Very low	117 Å²	117	117.4 Å²	117.4	61%	0.613	61%	0.609	S	S	*	*	S	Bend	trans	-65.4	142.4	173.6	-69.2	171.7	0	0	0	111.1	H411 Y456	H411-L414 WeakPolarHBondContact O-CD1 3.4Å; L414-Y456 WeakPolarHBondContact O-CD2 3.34Å
415	L	52.4	Low	48.7	Very low	111 Å²	111	111.1 Å²	111.1	58%	0.581	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.2	170.4	-80.4	159.6	0	0	0	109.9	L417 Y456	L415-L417 PolarHBondContact O-N 2.85Å; L415-Y456 HydrophobicContact CD2-CE1 4.15Å; L415-Y456 HydrophobicContact CD2-CE2 4.28Å; L415-Y456 VanDerWaalsContact CD2-OH 3.31Å; L415-Y456 WeakPolarHBondContact CD2-OH 3.49Å; L415-Y456 HydrophobicContact CG-CE2 4.45Å
416	P	51	Low	50	Low	59 Å²	59	114.8 Å²	114.8	38%	0.383	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-56.9	127.9	167.2	-24.5	35.4	0	0	0	110.4	A418	P416-A418 PolarHBondContact O-N 3.18Å
417	L	49.9	Very low	51.7	Low	172 Å²	172	112.6 Å²	112.6	90%	0.901	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-65.3	122	170.4	-74.6	166.6	0	0	0	108.4	L415	L415-L417 PolarHBondContact O-N 2.85Å
418	A	49.6	Very low	53.5	Low	56 Å²	56	112.7 Å²	112.7	46%	0.463	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-59.8	137.2	179.3	0	0	0	0	0	110.5	P416	P416-A418 PolarHBondContact O-N 3.18Å
419	P	50.6	Low	55.4	Low	60 Å²	60	116.2 Å²	116.2	39%	0.39	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-56.3	134.8	177.2	-26.6	34.9	0	0	0	111.6	G421 K422	P419-G421 PolarHBondContact O-N 3.06Å; P419-G421 VanDerWaalsContact O-N 3.09Å; P419-K422 PolarHBondContact O-N 2.7Å
420	P	42.1	Very low	57.4	Low	139 Å²	139	110.8 Å²	110.8	90%	0.903	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	117.6	-177.4	23.8	-33.3	0	0	0	110.3
421	G	54.5	Low	59.5	Low	81 Å²	81	112.6 Å²	112.6	84%	0.835	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	120.1	-12.9	-176.5	0	0	0	0	0	115.5	P419	P419-G421 PolarHBondContact O-N 3.06Å; P419-G421 VanDerWaalsContact O-N 3.09Å
422	K	52.8	Low	61.6	Low	111 Å²	111	109 Å²	109	48%	0.483	60%	0.6	S	S	.	*			trans	-101.7	96.7	175.3	-75.6	-178	175.7	174.9	0	112.4	P419 C424 L488	P419-K422 PolarHBondContact O-N 2.7Å; K422-C424 PolarHBondContact O-N 2.85Å; K422-L488 HydrophobicContact CD-CD1 3.87Å; K422-L488 HydrophobicContact CD-CD2 4.12Å; K422-L488 HydrophobicContact CD-CG 4.22Å
423	N	61.3	Low	63.4	Low	166 Å²	166	109.2 Å²	109.2	89%	0.888	60%	0.601	S	S	*	*			trans	-74	109.3	169.5	-75.1	-12.1	0	0	0	110.4	G425	N423-G425 PolarHBondContact O-N 3.39Å
424	C	64.9	Low	65.4	Low	67 Å²	67	116.2 Å²	116.2	45%	0.453	62%	0.622	S	S	.	*			trans	-67.1	111.9	176.5	-72	0	0	0	0	111.9	K422 C489	K422-C424 PolarHBondContact O-N 2.85Å; C424-C489 WeakPolarHBondContact CA-SG 3.47Å; C424-C489 HydrophobicContact CB-CB 3.74Å; C424-C489 WeakPolarHBondContact CB-SG 3.38Å; C424-C489 VanDerWaalsContact SG-CA 3.54Å; C424-C489 WeakPolarHBondContact SG-CB 3.21Å; C424-C489 CovalentContact SG-SG 2.04Å; C424-C489 PolarHBondContact SG-SG 3.02Å
425	G	66.6	Low	67.3	Low	62 Å²	62	112.8 Å²	112.8	64%	0.639	60%	0.602	S	S	*	*			trans	-74.8	-179.7	174.5	0	0	0	0	0	113.6	N423 C427	N423-G425 PolarHBondContact O-N 3.39Å; G425-C427 PolarHBondContact O-N 3.09Å
426	K	69.1	Low	69.2	Low	212 Å²	212	109.2 Å²	109.2	92%	0.922	58%	0.581	S	S	*	*			trans	-65.8	117.4	172.5	-67.6	175.5	-179.2	171.8	0	109.3	Q428	K426-Q428 PolarHBondContact O-N 3.02Å; K426-Q428 VanDerWaalsContact O-N 3.15Å
427	C	72.3	Confident	71.2	Confident	48 Å²	48	109.9 Å²	109.9	32%	0.324	58%	0.579	S	S	.	*			trans	-44	120	179.8	-54.5	0	0	0	0	112.2	G425 R429 C491	G425-C427 PolarHBondContact O-N 3.09Å; C427-R429 PolarHBondContact O-N 2.88Å; C427-C491 VanDerWaalsContact CA-SG 3.5Å; C427-C491 HydrophobicContact CB-CB 3.68Å; C427-C491 WeakPolarHBondContact CB-SG 3.46Å; C427-C491 VanDerWaalsContact SG-CA 3.57Å; C427-C491 WeakPolarHBondContact SG-CB 3.45Å; C427-C491 CovalentContact SG-SG 2.04Å; C427-C491 PolarHBondContact SG-SG 3.2Å
428	Q	74.4	Confident	73.2	Confident	161 Å²	161	108.6 Å²	108.6	75%	0.752	56%	0.562	S	S	*	*			trans	-64.7	124.6	179.2	-172.8	165	-12.3	0	0	109.5	K426	K426-Q428 PolarHBondContact O-N 3.02Å; K426-Q428 VanDerWaalsContact O-N 3.15Å
429	R	78.9	Confident	75.3	Confident	168 Å²	168	106 Å²	106	63%	0.634	54%	0.541	S	S	*	.			trans	-110.8	108.1	-178.5	-67.3	-166.1	-173.2	-175.8	3.2	111.3	C427 K431	C427-R429 PolarHBondContact O-N 2.88Å; R429-K431 HydrophobicContact CB-CD 4.32Å; R429-K431 HydrophobicContact CB-CG 4.39Å; R429-K431 WeakPolarHBondContact O-CG 2.98Å; R429-K431 PolarHBondContact O-N 2.79Å
430	V	86.1	Confident	77.3	Confident	23 Å²	23	103.2 Å²	103.2	14%	0.139	52%	0.522	C	S	.	.			trans	-57.8	115.9	172.8	-178.4	0	0	0	0	109.5	E435 Q439 D522 Y524	V430-E435 HydrophobicContact CG1-CG 3.49Å; V430-E435 VanDerWaalsContact CG1-CG 3.49Å; V430-Q439 HydrophobicContact CG1-CG 4.2Å; V430-D522 WeakPolarHBondContact CG2-O 3.47Å; V430-Y524 HydrophobicContact CG1-CD2 4.21Å; V430-Y524 WeakPolarHBondContact O-CD2 3.42Å
431	K	82	Confident	79.5	Confident	144 Å²	144	98.5 Å²	98.5	63%	0.626	49%	0.493	S	S	*	.			trans	-146.8	163.8	-168.5	-78.3	174.7	178.6	177.9	0	111.5	R429	R429-K431 HydrophobicContact CB-CD 4.32Å; R429-K431 HydrophobicContact CB-CG 4.39Å; R429-K431 WeakPolarHBondContact O-CG 2.98Å; R429-K431 PolarHBondContact O-N 2.79Å
432	G	88	Confident	81.2	Confident	46 Å²	46	100.6 Å²	100.6	47%	0.474	48%	0.479	S	S	.	.	S	Bend	trans	97.2	161.4	173.6	0	0	0	0	0	114.3	R436	G432-R436 WeakPolarHBondContact O-CB 3.44Å; G432-R436 PolarHBondContact O-N 2.96Å
433	R	87.1	Confident	83	Confident	210 Å²	210	95.8 Å²	95.8	79%	0.792	46%	0.458	S	S	*	.	H	α-helix	trans	-64.3	-50.1	-172.2	-178.2	178.9	173.7	-175.3	-2.2	113	Q437	R433-Q437 PolarHBondContact O-N 3.37Å; R433-Q437 VanDerWaalsContact O-N 3.13Å
434	R	88.4	Confident	84.1	Confident	228 Å²	228	89 Å²	89	86%	0.86	42%	0.422	S	S	*	.	H	α-helix	trans	-58.7	-49	-179.9	-74.5	-175.5	173.4	-178.2	-3.5	111.2	Q437 R438	R434-Q437 PolarHBondContact O-N 3.44Å; R434-R438 WeakPolarHBondContact O-CB 3.39Å; R434-R438 PolarHBondContact O-N 2.96Å
435	E	90.9	Very high	85.3	Confident	45 Å²	45	85.9 Å²	85.9	21%	0.21	40%	0.4	C	S	.	.	H	α-helix	trans	-71.2	-39	-177.2	-165.9	56.6	-148.9	0	0	112.4	V430 Q437 R438 Q439	V430-E435 HydrophobicContact CG1-CG 3.49Å; V430-E435 VanDerWaalsContact CG1-CG 3.49Å; E435-Q437 VanDerWaalsContact C-N 3.28Å; E435-Q437 PolarHBondContact O-N 3.37Å; E435-R438 PolarHBondContact O-N 3.12Å; E435-R438 WeakPolarHBondContact OE1-CD 3.09Å; E435-R438 IonicContact OE1-NH1 3.28Å; E435-R438 PolarHBondContact OE1-NH1 3.02Å; E435-R438 VanDerWaalsContact OE1-NH1 3.09Å; E435-R438 WeakPolarHBondContact OE2-CD 3.48Å; E435-R438 IonicContact OE2-CZ 3.56Å; E435-R438 IonicContact OE2-NE 2.64Å; E435-R438 IonicContact OE2-NH1 3.67Å; E435-R438 PolarHBondContact OE2-NH1 3.28Å; E435-Q439 HydrophobicContact CG-CG 4.06Å; E435-Q439 VanDerWaalsContact O-CB 3.25Å; E435-Q439 WeakPolarHBondContact O-CB 3.49Å; E435-Q439 WeakPolarHBondContact O-CG 3.48Å; E435-Q439 PolarHBondContact O-N 2.59Å; E435-Q439 WeakPolarHBondContact OE1-CG 3.24Å; E435-Q439 PolarHBondContact OE1-NE2 2.81Å
436	R	93.4	Very high	86.6	Confident	35 Å²	35	82.9 Å²	82.9	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-54.1	-45.1	170.7	-175.6	-165.8	-79.6	144.2	-11.8	111.4	G432 Y440 M503 Y524 E532 L536 L539	G432-R436 WeakPolarHBondContact O-CB 3.44Å; G432-R436 PolarHBondContact O-N 2.96Å; R436-Y440 VanDerWaalsContact O-CB 3.22Å; R436-Y440 WeakPolarHBondContact O-CB 3.4Å; R436-Y440 PolarHBondContact O-N 2.59Å; R436-M503 HydrophobicContact CG-CE 3.87Å; R436-Y524 HydrophobicContact CB-CD2 4.2Å; R436-Y524 HydrophobicContact CB-CE2 3.84Å; R436-Y524 HydrophobicContact CG-CD2 4.49Å; R436-Y524 HydrophobicContact CG-CE1 4.24Å; R436-Y524 HydrophobicContact CG-CE2 4.05Å; R436-Y524 PolarHBondContact NE-OH 2.83Å; R436-Y524 PolarHBondContact NH2-OH 3.23Å; R436-Y524 VanDerWaalsContact NH2-OH 3.08Å; R436-E532 IonicContact CZ-OE2 2.68Å; R436-E532 IonicContact NE-OE2 3.04Å; R436-E532 IonicContact NH2-OE1 2.68Å; R436-E532 PolarHBondContact NH2-OE1 3.15Å; R436-E532 IonicContact NH2-OE2 3.46Å; R436-E532 PolarHBondContact NH2-OE2 3.3Å; R436-L536 HydrophobicContact CG-CD2 4.48Å; R436-L539 HydrophobicContact CG-CD1 3.97Å
437	Q	92.3	Very high	87.6	Confident	74 Å²	74	72.9 Å²	72.9	35%	0.346	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-45.7	178.4	175.9	170.1	-12	0	0	112.4	R433 R434 E435 Q439 Y440 C441 L539	R433-Q437 PolarHBondContact O-N 3.37Å; R433-Q437 VanDerWaalsContact O-N 3.13Å; R434-Q437 PolarHBondContact O-N 3.44Å; E435-Q437 VanDerWaalsContact C-N 3.28Å; E435-Q437 PolarHBondContact O-N 3.37Å; Q437-Q439 PolarHBondContact O-N 2.88Å; Q437-Y440 PolarHBondContact O-N 3.02Å; Q437-C441 WeakPolarHBondContact O-CB 3.46Å; Q437-C441 PolarHBondContact O-N 3.12Å; Q437-L539 HydrophobicContact CB-CD2 3.83Å; Q437-L539 HydrophobicContact CG-CD2 3.89Å
438	R	92	Very high	88.6	Confident	144 Å²	144	73 Å²	73	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-48	176	-172.2	-165.6	-174.5	-154.3	3.9	111.5	R434 E435 C441 K442	R434-R438 WeakPolarHBondContact O-CB 3.39Å; R434-R438 PolarHBondContact O-N 2.96Å; E435-R438 PolarHBondContact O-N 3.12Å; E435-R438 WeakPolarHBondContact OE1-CD 3.09Å; E435-R438 IonicContact OE1-NH1 3.28Å; E435-R438 PolarHBondContact OE1-NH1 3.02Å; E435-R438 VanDerWaalsContact OE1-NH1 3.09Å; E435-R438 WeakPolarHBondContact OE2-CD 3.48Å; E435-R438 IonicContact OE2-CZ 3.56Å; E435-R438 IonicContact OE2-NE 2.64Å; E435-R438 IonicContact OE2-NH1 3.67Å; E435-R438 PolarHBondContact OE2-NH1 3.28Å; R438-C441 PolarHBondContact O-N 3.46Å; R438-K442 WeakPolarHBondContact O-CB 3.43Å; R438-K442 PolarHBondContact O-N 3.47Å
439	Q	93.4	Very high	89.4	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-46.3	179.6	-68.3	-79.1	-24.7	0	0	111.4	V430 E435 Q437 C441 K442 K443 M503 D522	V430-Q439 HydrophobicContact CG1-CG 4.2Å; E435-Q439 HydrophobicContact CG-CG 4.06Å; E435-Q439 VanDerWaalsContact O-CB 3.25Å; E435-Q439 WeakPolarHBondContact O-CB 3.49Å; E435-Q439 WeakPolarHBondContact O-CG 3.48Å; E435-Q439 PolarHBondContact O-N 2.59Å; E435-Q439 WeakPolarHBondContact OE1-CG 3.24Å; E435-Q439 PolarHBondContact OE1-NE2 2.81Å; Q437-Q439 PolarHBondContact O-N 2.88Å; Q439-C441 VanDerWaalsContact C-N 3.33Å; Q439-C441 PolarHBondContact O-N 2.94Å; Q439-K442 PolarHBondContact O-N 2.02Å; Q439-K443 WeakPolarHBondContact O-CB 3.45Å; Q439-K443 PolarHBondContact O-N 3.15Å; Q439-M503 HydrophobicContact CB-CB 4.39Å; Q439-M503 HydrophobicContact CB-SD 3.67Å; Q439-D522 PolarHBondContact NE2-O 3.22Å; Q439-D522 PolarHBondContact OE1-O 3.02Å
440	Y	92.2	Very high	89.9	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-42.2	176.7	-170.7	-73.6	0	0	0	112.4	R436 Q437 V446 Y471 R472 M503 L536 L539 Q540 C543	R436-Y440 VanDerWaalsContact O-CB 3.22Å; R436-Y440 WeakPolarHBondContact O-CB 3.4Å; R436-Y440 PolarHBondContact O-N 2.59Å; Q437-Y440 PolarHBondContact O-N 3.02Å; Y440-V446 HydrophobicContact CD2-CB 4.42Å; Y440-V446 HydrophobicContact CD2-CG1 3.72Å; Y440-V446 HydrophobicContact CD2-CG2 4.21Å; Y440-V446 HydrophobicContact CE2-CB 4.42Å; Y440-V446 HydrophobicContact CE2-CG1 3.77Å; Y440-V446 HydrophobicContact CG-CG2 4.33Å; Y440-Y471 PolarHBondContact OH-O 3.21Å; Y440-Y471 VanDerWaalsContact OH-O 3.12Å; Y440-R472 HydrophobicContact CE1-CB 3.86Å; Y440-R472 HydrophobicContact CE1-CG 4.35Å; Y440-R472 WeakPolarHBondContact O-CD 3.48Å; Y440-R472 PolarHBondContact O-NH1 2.79Å; Y440-M503 HydrophobicContact CD2-CE 4Å; Y440-M503 PolarHBondContact N-SD 3.13Å; Y440-M503 VanDerWaalsContact N-SD 3.45Å; Y440-L536 HydrophobicContact CD2-CD2 3.71Å; Y440-L536 HydrophobicContact CE2-CB 4.25Å; Y440-L536 HydrophobicContact CE2-CD2 3.95Å; Y440-L539 HydrophobicContact CD1-CB 3.81Å; Y440-L539 HydrophobicContact CD2-CB 3.94Å; Y440-L539 HydrophobicContact CD2-CD1 4.05Å; Y440-L539 HydrophobicContact CE1-CB 3.98Å; Y440-L539 WeakPolarHBondContact CE1-O 3.26Å; Y440-L539 HydrophobicContact CE2-CB 4.11Å; Y440-L539 HydrophobicContact CG-CB 3.81Å; Y440-L539 HydrophobicContact CG-CD1 4.12Å; Y440-Q540 VanDerWaalsContact OH-CA 3.25Å; Y440-Q540 WeakPolarHBondContact OH-CA 3.29Å; Y440-Q540 VanDerWaalsContact OH-CB 3.25Å; Y440-Q540 WeakPolarHBondContact OH-CB 3.44Å; Y440-Q540 PolarHBondContact OH-N 2.81Å; Y440-C543 HydrophobicContact CD1-CB 3.78Å; Y440-C543 HydrophobicContact CE1-CB 4.04Å
441	C	88.4	Confident	90.2	Very high	41 Å²	41	60.6 Å²	60.6	28%	0.277	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-41.7	175.7	-90.1	0	0	0	0	112.8	Q437 R438 Q439 R472 R474 C543	Q437-C441 WeakPolarHBondContact O-CB 3.46Å; Q437-C441 PolarHBondContact O-N 3.12Å; R438-C441 PolarHBondContact O-N 3.46Å; Q439-C441 VanDerWaalsContact C-N 3.33Å; Q439-C441 PolarHBondContact O-N 2.94Å; C441-R472 VanDerWaalsContact O-CZ 3.28Å; C441-R472 PolarHBondContact O-NH1 2.77Å; C441-R472 PolarHBondContact O-NH2 3.13Å; C441-R474 PolarHBondContact O-NH2 2.89Å; C441-C543 WeakPolarHBondContact CA-SG 3.47Å; C441-C543 HydrophobicContact CB-CB 4.05Å; C441-C543 WeakPolarHBondContact CB-SG 3.43Å; C441-C543 VanDerWaalsContact SG-CA 3.57Å; C441-C543 WeakPolarHBondContact SG-CB 3.18Å; C441-C543 CovalentContact SG-SG 2.04Å; C441-C543 PolarHBondContact SG-SG 3.31Å
442	K	89.6	Confident	90.1	Very high	125 Å²	125	57.3 Å²	57.3	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-83.7	-47.3	-168.7	-172	-173.2	175.3	-164.5	0	113.9	R438 Q439 R474	R438-K442 WeakPolarHBondContact O-CB 3.43Å; R438-K442 PolarHBondContact O-N 3.47Å; Q439-K442 PolarHBondContact O-N 2.02Å; K442-R474 PolarHBondContact O-NH1 3.47Å; K442-R474 PolarHBondContact O-NH2 2.99Å
443	K	90.9	Very high	89.7	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.039	24%	0.242	C	C	.	.	S	Bend	trans	-67.1	162.2	-175.6	-64.6	-83.1	-176.3	169.5	0	111	Q439 R472 M503 R505 E520 D522 S523	Q439-K443 WeakPolarHBondContact O-CB 3.45Å; Q439-K443 PolarHBondContact O-N 3.15Å; K443-R472 PolarHBondContact O-NH1 2.87Å; K443-M503 HydrophobicContact CB-CB 4.49Å; K443-M503 HydrophobicContact CG-CB 4.32Å; K443-R505 HydrophobicContact CD-CB 4.39Å; K443-E520 IonicContact NZ-OE2 3.6Å; K443-E520 PolarHBondContact NZ-OE2 3.28Å; K443-D522 IonicContact NZ-OD1 3.38Å; K443-D522 PolarHBondContact NZ-OD1 2.81Å; K443-S523 PolarHBondContact NZ-OG 3.36Å
444	D	84.8	Confident	89.6	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.134	22%	0.215	C	C	.	.	S	Bend	trans	-83.6	-28.3	-175.5	-60.7	-59.8	0	0	0	112.9	N473 R474 F475 V504 R505 R506	D444-N473 CarbonylContact O-C 3.6Å; D444-N473 VanDerWaalsContact O-CA 3.28Å; D444-N473 WeakPolarHBondContact O-CA 3.05Å; D444-R474 PolarHBondContact O-N 2.04Å; D444-R474 WeakPolarHBondContact OD1-CD 3.47Å; D444-R474 IonicContact OD1-CZ 3.78Å; D444-R474 IonicContact OD1-NE 3.86Å; D444-R474 IonicContact OD1-NH1 2.93Å; D444-R474 PolarHBondContact OD1-NH1 2.63Å; D444-F475 HydrophobicContact CB-CE2 4.47Å; D444-V504 PolarHBondContact N-O 2.84Å; D444-R505 WeakPolarHBondContact OD2-CA 3.32Å; D444-R506 HydrophobicContact CB-CB 4.41Å; D444-R506 PolarHBondContact OD2-N 2.64Å
445	F	91.4	Very high	89.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.6	-174.7	-45.3	-59.8	0	0	0	110.9	L344 F447 N473 F475 L477 M503 V504 R506 I517	L344-F445 HydrophobicContact CD1-CD1 4.03Å; L344-F445 HydrophobicContact CD1-CE1 3.32Å; L344-F445 HydrophobicContact CD1-CE2 4.07Å; L344-F445 HydrophobicContact CD1-CZ 3.34Å; L344-F445 HydrophobicContact CD2-CE1 4.23Å; L344-F445 HydrophobicContact CD2-CE2 4.5Å; L344-F445 HydrophobicContact CD2-CZ 3.64Å; L344-F445 HydrophobicContact CG-CE1 4.32Å; L344-F445 HydrophobicContact CG-CZ 4.12Å; F445-F447 HydrophobicContact CB-CD1 3.94Å; F445-F447 HydrophobicContact CB-CE1 4Å; F445-N473 HydrophobicContact CD1-CB 4.29Å; F445-F475 HydrophobicContact CE1-CB 3.97Å; F445-F475 AromaticContact CE1-CD2 3.74Å; F445-F475 HydrophobicContact CE1-CD2 3.74Å; F445-F475 HydrophobicContact CE1-CG 4.35Å; F445-F475 WeakPolarHBondContact CE1-O 3.12Å; F445-F475 HydrophobicContact CZ-CB 4.44Å; F445-F475 AromaticContact CZ-CD2 3.73Å; F445-F475 HydrophobicContact CZ-CD2 3.73Å; F445-L477 HydrophobicContact CB-CD1 4.36Å; F445-L477 HydrophobicContact CB-CD2 4.4Å; F445-L477 HydrophobicContact CD1-CD2 4.04Å; F445-L477 HydrophobicContact CD1-CG 4.33Å; F445-L477 HydrophobicContact CG-CD2 4.11Å; F445-M503 CarbonylContact O-C 3.59Å; F445-M503 VanDerWaalsContact O-CA 3.29Å; F445-M503 WeakPolarHBondContact O-CA 3.34Å; F445-V504 HydrophobicContact CB-CG2 4.01Å; F445-V504 HydrophobicContact CD2-CG2 4.22Å; F445-V504 WeakPolarHBondContact CD2-O 3.06Å; F445-V504 PolarHBondContact N-O 3.21Å; F445-V504 PolarHBondContact O-N 2.92Å; F445-R506 HydrophobicContact CE2-CB 3.92Å; F445-R506 HydrophobicContact CZ-CB 3.95Å; F445-R506 HydrophobicContact CZ-CG 4.43Å; F445-I517 HydrophobicContact CD2-CG1 4.36Å; F445-I517 HydrophobicContact CD2-CG2 4Å; F445-I517 HydrophobicContact CE2-CG1 4.13Å; F445-I517 HydrophobicContact CE2-CG2 4.39Å
446	V	92.5	Very high	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	105.9	174.9	-177.1	0	0	0	0	108.1	Y440 Y471 R472 L502 M503	Y440-V446 HydrophobicContact CD2-CB 4.42Å; Y440-V446 HydrophobicContact CD2-CG1 3.72Å; Y440-V446 HydrophobicContact CD2-CG2 4.21Å; Y440-V446 HydrophobicContact CE2-CB 4.42Å; Y440-V446 HydrophobicContact CE2-CG1 3.77Å; Y440-V446 HydrophobicContact CG-CG2 4.33Å; V446-Y471 HydrophobicContact CG1-CD2 4.11Å; V446-Y471 HydrophobicContact CG1-CG 4.43Å; V446-Y471 PolarHBondContact O-N 3Å; V446-R472 WeakPolarHBondContact CA-O 3.44Å; V446-R472 HydrophobicContact CB-CB 4.2Å; V446-R472 HydrophobicContact CG2-CB 4.28Å; V446-R472 PolarHBondContact N-O 3Å; V446-R472 PolarHBondContact O-N 2.97Å; V446-L502 WeakPolarHBondContact CA-O 3.44Å; V446-M503 HydrophobicContact CG1-CE 3.99Å; V446-M503 HydrophobicContact CG1-CG 4.02Å; V446-M503 HydrophobicContact CG1-SD 4.48Å; V446-M503 HydrophobicContact CG2-CB 4.48Å; V446-M503 HydrophobicContact CG2-CG 4.11Å; V446-M503 HydrophobicContact CG2-SD 4.48Å
447	F	91.6	Very high	87.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.4	-173.8	62.6	-92.2	0	0	0	113.4	F445 V465 I467 H469 L477 I501 L502 V504	F445-F447 HydrophobicContact CB-CD1 3.94Å; F445-F447 HydrophobicContact CB-CE1 4Å; F447-V465 HydrophobicContact CE2-CG1 4.13Å; F447-I467 HydrophobicContact CB-CG2 4.33Å; F447-I467 HydrophobicContact CD2-CD1 3.44Å; F447-I467 VanDerWaalsContact CD2-CD1 3.44Å; F447-I467 HydrophobicContact CD2-CG2 4.45Å; F447-I467 HydrophobicContact CE1-CD1 4.43Å; F447-I467 HydrophobicContact CE2-CD1 3.27Å; F447-I467 HydrophobicContact CG-CD1 4.11Å; F447-I467 HydrophobicContact CZ-CD1 3.81Å; F447-H469 CarbonylContact C-O 3.57Å; F447-H469 VanDerWaalsContact CA-O 3.26Å; F447-H469 WeakPolarHBondContact CA-O 3.23Å; F447-H469 WeakPolarHBondContact CB-O 3.3Å; F447-L477 HydrophobicContact CB-CD1 3.9Å; F447-L477 HydrophobicContact CD1-CD1 3.46Å; F447-L477 VanDerWaalsContact CD1-CD1 3.46Å; F447-L477 HydrophobicContact CD1-CD2 4.42Å; F447-L477 HydrophobicContact CE1-CD1 4.15Å; F447-L477 HydrophobicContact CE1-CD2 4.3Å; F447-L477 HydrophobicContact CG-CD1 3.86Å; F447-I501 WeakPolarHBondContact O-CA 3.43Å; F447-L502 HydrophobicContact CD2-CB 4.35Å; F447-L502 HydrophobicContact CD2-CD1 4.16Å; F447-L502 HydrophobicContact CE1-CB 4.29Å; F447-L502 HydrophobicContact CE2-CB 3.98Å; F447-L502 HydrophobicContact CE2-CD1 3.4Å; F447-L502 VanDerWaalsContact CE2-CD1 3.4Å; F447-L502 HydrophobicContact CE2-CG 4.31Å; F447-L502 HydrophobicContact CZ-CB 3.96Å; F447-L502 HydrophobicContact CZ-CD1 3.88Å; F447-L502 PolarHBondContact N-O 3.32Å; F447-L502 VanDerWaalsContact N-O 3.08Å; F447-L502 PolarHBondContact O-N 3.22Å; F447-V504 HydrophobicContact CE1-CG2 3.57Å; F447-V504 HydrophobicContact CZ-CG2 4.13Å
448	R	91.8	Very high	86.5	Confident	50 Å²	50	43 Å²	43	19%	0.189	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.5	167.2	-178.1	173.1	119	-156.4	-1.8	107.9	I468 H469 Y471 Y500 I501 Y528	R448-I468 PolarHBondContact O-N 2.94Å; R448-H469 HydrophobicContact CB-CB 4.09Å; R448-H469 PolarHBondContact N-O 2.99Å; R448-H469 PolarHBondContact O-N 3.45Å; R448-Y471 HydrophobicContact CB-CE2 3.96Å; R448-Y500 CarbonylContact C-O 3.49Å; R448-Y500 VanDerWaalsContact CA-O 3.31Å; R448-Y500 WeakPolarHBondContact CA-O 3.34Å; R448-I501 HydrophobicContact CB-CD1 4.06Å; R448-I501 HydrophobicContact CG-CD1 4.43Å; R448-Y528 HydrophobicContact CG-CD2 4.19Å; R448-Y528 HydrophobicContact CG-CG 4.13Å; R448-Y528 PolarHBondContact NH1-OH 2.97Å
449	G	91.2	Very high	85.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.4	178.4	0	0	0	0	0	111.9	Q466 Q499 Y500	G449-Q466 CarbonylContact C-O 3.46Å; G449-Q466 VanDerWaalsContact CA-O 3.23Å; G449-Q466 WeakPolarHBondContact CA-O 3.49Å; G449-Q499 CarbonylContact O-C 3.45Å; G449-Q499 VanDerWaalsContact O-CA 3.27Å; G449-Q499 WeakPolarHBondContact O-CA 3.41Å; G449-Y500 PolarHBondContact N-O 3.34Å; G449-Y500 PolarHBondContact O-N 2.95Å
450	R	89.3	Confident	85.1	Confident	89 Å²	89	45.2 Å²	45.2	34%	0.336	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129	161.4	169.5	-171.4	-73.6	135.1	-12.3	108.5	L452 V465 Q466 I468 K498 Q499	R450-L452 HydrophobicContact CG-CD2 4.24Å; R450-L452 PolarHBondContact O-N 2.83Å; R450-V465 CarbonylContact O-C 3.52Å; R450-V465 WeakPolarHBondContact O-CA 3.27Å; R450-Q466 HydrophobicContact CB-CB 4.35Å; R450-Q466 PolarHBondContact N-O 2.77Å; R450-Q466 PolarHBondContact O-N 3.34Å; R450-I468 HydrophobicContact CB-CD1 3.6Å; R450-K498 WeakPolarHBondContact CA-O 3.31Å; R450-Q499 HydrophobicContact CB-CG 4.01Å
451	V	92.1	Very high	84.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.9	170.4	-175.6	0	0	0	0	108.9	Y463 L494 P496 G497 K498 Y500	V451-Y463 HydrophobicContact CG1-CD1 3.89Å; V451-L494 HydrophobicContact CG2-CB 3.75Å; V451-P496 HydrophobicContact CG1-CG 4.4Å; V451-G497 PolarHBondContact O-N 2.95Å; V451-K498 PolarHBondContact N-O 2.69Å; V451-K498 VanDerWaalsContact N-O 3.08Å; V451-Y500 HydrophobicContact CG2-CD2 3.99Å; V451-Y500 HydrophobicContact CG2-CE2 3.98Å
452	L	80.4	Confident	84.6	Confident	76 Å²	76	45.3 Å²	45.3	40%	0.398	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-37.1	173.8	-58.9	-175.1	0	0	0	111.4	R450 D464 Q466 R480	R450-L452 HydrophobicContact CG-CD2 4.24Å; R450-L452 PolarHBondContact O-N 2.83Å; L452-D464 HydrophobicContact CB-CB 4.31Å; L452-D464 PolarHBondContact N-O 3.23Å; L452-Q466 HydrophobicContact CD1-CB 4.17Å; L452-Q466 HydrophobicContact CD2-CB 4.04Å; L452-Q466 HydrophobicContact CG-CB 4.11Å; L452-R480 HydrophobicContact CD1-CG 4.34Å
453	G	80.9	Confident	84.6	Confident	24 Å²	24	39.4 Å²	39.4	25%	0.247	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	171.9	176.3	0	0	0	0	0	112.3	Y463 D464	G453-Y463 WeakPolarHBondContact O-CA 3.46Å; G453-D464 PolarHBondContact O-N 2.77Å
454	K	84.1	Confident	84.3	Confident	52 Å²	52	39.9 Å²	39.9	23%	0.226	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.2	174.1	81.5	-177.1	-166.9	170.8	0	111.4	Y456 T461 Y463 D490 D493	K454-Y456 WeakPolarHBondContact CE-OH 3.43Å; K454-T461 HydrophobicContact CB-CG2 4.01Å; K454-T461 HydrophobicContact CD-CG2 4.29Å; K454-T461 HydrophobicContact CG-CG2 4.35Å; K454-Y463 HydrophobicContact CB-CD1 3.42Å; K454-Y463 VanDerWaalsContact CB-CD1 3.42Å; K454-Y463 HydrophobicContact CB-CE1 3.38Å; K454-Y463 HydrophobicContact CB-CG 4.14Å; K454-Y463 HydrophobicContact CD-CD1 4.28Å; K454-Y463 HydrophobicContact CD-CE1 3.35Å; K454-Y463 WeakPolarHBondContact CD-OH 3.24Å; K454-Y463 HydrophobicContact CG-CE1 4.03Å; K454-Y463 PolarHBondContact NZ-OH 2.88Å; K454-D490 IonicContact NZ-OD1 3.16Å; K454-D490 PolarHBondContact NZ-OD1 3.11Å; K454-D490 IonicContact NZ-OD2 2.7Å; K454-D490 PolarHBondContact NZ-OD2 3.23Å; K454-D493 IonicContact NZ-OD1 3.34Å; K454-D493 PolarHBondContact NZ-OD1 2.68Å
455	L	79.9	Confident	84.5	Confident	49 Å²	49	38.8 Å²	38.8	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.6	-179.7	176.7	69	0	0	0	109.3	R457 R462	L455-R457 HydrophobicContact CD2-CG 4.45Å; L455-R457 HydrophobicContact CG-CG 4.5Å; L455-R462 PolarHBondContact N-O 2.67Å; L455-R462 PolarHBondContact O-N 3.24Å
456	Y	77.8	Confident	83.9	Confident	39 Å²	39	40.8 Å²	40.8	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.1	173.2	-52.8	-62.8	0	0	0	110.9	N413 L414 L415 K454 T461 N487	N413-Y456 WeakPolarHBondContact O-CE2 3.44Å; L414-Y456 WeakPolarHBondContact O-CD2 3.34Å; L415-Y456 HydrophobicContact CD2-CE1 4.15Å; L415-Y456 HydrophobicContact CD2-CE2 4.28Å; L415-Y456 VanDerWaalsContact CD2-OH 3.31Å; L415-Y456 WeakPolarHBondContact CD2-OH 3.49Å; L415-Y456 HydrophobicContact CG-CE2 4.45Å; K454-Y456 WeakPolarHBondContact CE-OH 3.43Å; Y456-T461 HydrophobicContact CD1-CG2 4.05Å; Y456-T461 WeakPolarHBondContact CD1-OG1 3.3Å; Y456-T461 HydrophobicContact CE1-CG2 4.17Å; Y456-N487 WeakPolarHBondContact CD1-ND2 3.39Å
457	R	69.7	Low	83.5	Confident	115 Å²	115	41.4 Å²	41.4	43%	0.434	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	84.3	175.9	-77.6	-168.9	167.1	-171.3	-0.8	109.4	H348 L455 E459 E460	H348-R457 PolarHBondContact NE2-NH1 3Å; L455-R457 HydrophobicContact CD2-CG 4.45Å; L455-R457 HydrophobicContact CG-CG 4.5Å; R457-E459 PolarHBondContact O-N 2.88Å; R457-E460 CarbonylContact C-O 3.44Å; R457-E460 PolarHBondContact N-O 3.07Å; R457-E460 PolarHBondContact O-N 2.83Å
458	G	72.3	Confident	82.6	Confident	59 Å²	59	44 Å²	44	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	-127.2	-175.6	0	0	0	0	0	111.1	E460	G458-E460 PolarHBondContact O-N 2.85Å
459	E	75.6	Confident	81.9	Confident	146 Å²	146	45.7 Å²	45.7	68%	0.682	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	15.1	177.9	-56	-165.8	144.7	0	0	114.3	R457 N487	R457-E459 PolarHBondContact O-N 2.88Å; E459-N487 PolarHBondContact O-N 2.89Å
460	E	80.1	Confident	81.5	Confident	45 Å²	45	48 Å²	48	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148	176.2	-62.9	-168.4	144.7	0	0	113.2	R457 G458 V485 R516	R457-E460 CarbonylContact C-O 3.44Å; R457-E460 PolarHBondContact N-O 3.07Å; R457-E460 PolarHBondContact O-N 2.83Å; G458-E460 PolarHBondContact O-N 2.85Å; E460-V485 CarbonylContact C-O 3.47Å; E460-V485 WeakPolarHBondContact CA-O 3.49Å; E460-R516 VanDerWaalsContact CD-NH1 3.34Å; E460-R516 IonicContact OE1-CZ 3.22Å; E460-R516 VanDerWaalsContact OE1-CZ 3.28Å; E460-R516 IonicContact OE1-NH1 3.65Å; E460-R516 PolarHBondContact OE1-NH1 2.95Å; E460-R516 IonicContact OE1-NH2 2.73Å; E460-R516 PolarHBondContact OE1-NH2 3.14Å; E460-R516 IonicContact OE2-CZ 3.86Å; E460-R516 IonicContact OE2-NH1 3.78Å; E460-R516 PolarHBondContact OE2-NH1 3.29Å; E460-R516 IonicContact OE2-NH2 2.66Å
461	T	84	Confident	81.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.6	168.1	-55.4	0	0	0	0	108.9	K454 Y456 Y463 V485 N487	K454-T461 HydrophobicContact CB-CG2 4.01Å; K454-T461 HydrophobicContact CD-CG2 4.29Å; K454-T461 HydrophobicContact CG-CG2 4.35Å; Y456-T461 HydrophobicContact CD1-CG2 4.05Å; Y456-T461 WeakPolarHBondContact CD1-OG1 3.3Å; Y456-T461 HydrophobicContact CE1-CG2 4.17Å; T461-Y463 HydrophobicContact CG2-CD2 3.83Å; T461-Y463 HydrophobicContact CG2-CE1 4.4Å; T461-Y463 HydrophobicContact CG2-CE2 3.34Å; T461-V485 PolarHBondContact N-O 2.88Å; T461-V485 PolarHBondContact O-N 2.83Å; T461-N487 VanDerWaalsContact OG1-CB 3.32Å; T461-N487 WeakPolarHBondContact OG1-CB 2.97Å; T461-N487 PolarHBondContact OG1-ND2 3.28Å
462	R	87.1	Confident	80.5	Confident	44 Å²	44	46.4 Å²	46.4	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.8	171.6	-173.4	-164.1	68.9	159.2	0.2	109.4	L455 F482 W484	L455-R462 PolarHBondContact N-O 2.67Å; L455-R462 PolarHBondContact O-N 3.24Å; R462-F482 HydrophobicContact CG-CB 4.14Å; R462-F482 HydrophobicContact CG-CD1 4.41Å; R462-F482 HydrophobicContact CG-CG 4.46Å; R462-W484 HydrophobicContact CB-CD2 4.25Å; R462-W484 HydrophobicContact CB-CE3 4.01Å; R462-W484 HydrophobicContact CB-CH2 4.18Å; R462-W484 HydrophobicContact CB-CZ2 4.4Å; R462-W484 HydrophobicContact CB-CZ3 3.98Å; R462-W484 HydrophobicContact CG-CD2 4.08Å; R462-W484 HydrophobicContact CG-CE3 4.3Å; R462-W484 HydrophobicContact CG-CH2 4.07Å; R462-W484 HydrophobicContact CG-CZ2 3.83Å; R462-W484 HydrophobicContact CG-CZ3 4.3Å
463	Y	88.4	Confident	80.5	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.3	170.6	-67	-93.8	0	0	0	110.4	V451 G453 K454 T461 L483 V485 D490 L494	V451-Y463 HydrophobicContact CG1-CD1 3.89Å; G453-Y463 WeakPolarHBondContact O-CA 3.46Å; K454-Y463 HydrophobicContact CB-CD1 3.42Å; K454-Y463 VanDerWaalsContact CB-CD1 3.42Å; K454-Y463 HydrophobicContact CB-CE1 3.38Å; K454-Y463 HydrophobicContact CB-CG 4.14Å; K454-Y463 HydrophobicContact CD-CD1 4.28Å; K454-Y463 HydrophobicContact CD-CE1 3.35Å; K454-Y463 WeakPolarHBondContact CD-OH 3.24Å; K454-Y463 HydrophobicContact CG-CE1 4.03Å; K454-Y463 PolarHBondContact NZ-OH 2.88Å; T461-Y463 HydrophobicContact CG2-CD2 3.83Å; T461-Y463 HydrophobicContact CG2-CE1 4.4Å; T461-Y463 HydrophobicContact CG2-CE2 3.34Å; Y463-L483 PolarHBondContact N-O 3.03Å; Y463-L483 PolarHBondContact O-N 3.5Å; Y463-V485 HydrophobicContact CD2-CB 4.48Å; Y463-V485 HydrophobicContact CD2-CG2 3.54Å; Y463-V485 HydrophobicContact CE2-CB 4.16Å; Y463-V485 HydrophobicContact CE2-CG2 3.5Å; Y463-V485 VanDerWaalsContact CE2-CG2 3.5Å; Y463-D490 PolarHBondContact OH-OD1 2.86Å; Y463-L494 HydrophobicContact CD1-CB 3.91Å; Y463-L494 HydrophobicContact CE1-CB 3.59Å; Y463-L494 HydrophobicContact CE1-CG 4.29Å; Y463-L494 WeakPolarHBondContact CE1-O 3.39Å; Y463-L494 HydrophobicContact CG-CD1 4.46Å; Y463-L494 PolarHBondContact OH-N 2.96Å
464	D	85.4	Confident	79.9	Confident	19 Å²	19	50.5 Å²	50.5	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.3	169.7	-167.2	-38.2	0	0	0	107.8	L452 G453 R480	L452-D464 HydrophobicContact CB-CB 4.31Å; L452-D464 PolarHBondContact N-O 3.23Å; G453-D464 PolarHBondContact O-N 2.77Å; D464-R480 VanDerWaalsContact OD1-CG 3.3Å; D464-R480 WeakPolarHBondContact OD1-CG 3.27Å; D464-R480 IonicContact OD1-CZ 3.39Å; D464-R480 IonicContact OD1-NE 2.76Å; D464-R480 PolarHBondContact OD1-NE 3.47Å; D464-R480 IonicContact OD1-NH2 3.57Å; D464-R480 IonicContact OD2-CZ 3.23Å; D464-R480 IonicContact OD2-NE 2.73Å; D464-R480 PolarHBondContact OD2-NE 2.03Å; D464-R480 VanDerWaalsContact OD2-NE 3.16Å; D464-R480 IonicContact OD2-NH2 3.76Å; D464-R480 PolarHBondContact OD2-NH2 3.13Å
465	V	88.3	Confident	79	Confident	1 Å²	1	51 Å²	51	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.2	-168.3	-172.8	0	0	0	0	111.4	F447 R450 I467 R480 E481 L483 L502	F447-V465 HydrophobicContact CE2-CG1 4.13Å; R450-V465 CarbonylContact O-C 3.52Å; R450-V465 WeakPolarHBondContact O-CA 3.27Å; V465-I467 HydrophobicContact CG1-CD1 4.26Å; V465-R480 WeakPolarHBondContact O-CA 3.46Å; V465-E481 PolarHBondContact N-O 2.74Å; V465-E481 PolarHBondContact O-N 3.01Å; V465-L483 HydrophobicContact CG2-CB 3.75Å; V465-L483 HydrophobicContact CG2-CD2 4.01Å; V465-L502 HydrophobicContact CG1-CD1 4.39Å
466	Q	80.6	Confident	78.2	Confident	42 Å²	42	51.6 Å²	51.6	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.3	168.6	-177	-178.7	37.3	0	0	109.6	G449 R450 L452 I468 H479	G449-Q466 CarbonylContact C-O 3.46Å; G449-Q466 VanDerWaalsContact CA-O 3.23Å; G449-Q466 WeakPolarHBondContact CA-O 3.49Å; R450-Q466 HydrophobicContact CB-CB 4.35Å; R450-Q466 PolarHBondContact N-O 2.77Å; R450-Q466 PolarHBondContact O-N 3.34Å; L452-Q466 HydrophobicContact CD1-CB 4.17Å; L452-Q466 HydrophobicContact CD2-CB 4.04Å; L452-Q466 HydrophobicContact CG-CB 4.11Å; Q466-I468 HydrophobicContact CG-CG1 4.39Å; Q466-H479 CarbonylContact C-O 3.53Å; Q466-H479 WeakPolarHBondContact CA-O 3.48Å; Q466-H479 PolarHBondContact NE2-CE1 2.88Å; Q466-H479 PolarHBondContact NE2-NE2 3.21Å
467	I	82.9	Confident	77.5	Confident	13 Å²	13	50.2 Å²	50.2	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.6	178.2	-50.5	-61.4	0	0	0	109	F447 V465 L477 E478 H479 E481	F447-I467 HydrophobicContact CB-CG2 4.33Å; F447-I467 HydrophobicContact CD2-CD1 3.44Å; F447-I467 VanDerWaalsContact CD2-CD1 3.44Å; F447-I467 HydrophobicContact CD2-CG2 4.45Å; F447-I467 HydrophobicContact CE1-CD1 4.43Å; F447-I467 HydrophobicContact CE2-CD1 3.27Å; F447-I467 HydrophobicContact CG-CD1 4.11Å; F447-I467 HydrophobicContact CZ-CD1 3.81Å; V465-I467 HydrophobicContact CG1-CD1 4.26Å; I467-L477 HydrophobicContact CG1-CB 4.27Å; I467-L477 HydrophobicContact CG2-CB 4.26Å; I467-L477 HydrophobicContact CG2-CD1 4.41Å; I467-E478 WeakPolarHBondContact CG1-O 3.4Å; I467-H479 PolarHBondContact N-O 2.86Å; I467-H479 PolarHBondContact O-CE1 2.89Å; I467-H479 PolarHBondContact O-ND1 3Å; I467-E481 HydrophobicContact CD1-CB 4.34Å; I467-E481 HydrophobicContact CD1-CG 4.25Å; I467-E481 HydrophobicContact CG1-CB 4.41Å; I467-E481 HydrophobicContact CG1-CG 3.94Å
468	I	72.9	Confident	77.2	Confident	57 Å²	57	46.1 Å²	46.1	29%	0.292	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-36.2	-173.8	-59.1	171.8	0	0	0	112.1	R448 R450 Q466 Q499	R448-I468 PolarHBondContact O-N 2.94Å; R450-I468 HydrophobicContact CB-CD1 3.6Å; Q466-I468 HydrophobicContact CG-CG1 4.39Å; I468-Q499 HydrophobicContact CD1-CG 3.9Å
469	H	77.6	Confident	76.5	Confident	86 Å²	86	47.6 Å²	47.6	40%	0.398	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.4	175.9	-179.6	-91.5	0	0	0	110.7	F447 R448 Y471	F447-H469 CarbonylContact C-O 3.57Å; F447-H469 VanDerWaalsContact CA-O 3.26Å; F447-H469 WeakPolarHBondContact CA-O 3.23Å; F447-H469 WeakPolarHBondContact CB-O 3.3Å; R448-H469 HydrophobicContact CB-CB 4.09Å; R448-H469 PolarHBondContact N-O 2.99Å; R448-H469 PolarHBondContact O-N 3.45Å; H469-Y471 AromaticContact CE1-CD1 3.44Å; H469-Y471 VanDerWaalsContact CE1-CD1 3.44Å; H469-Y471 WeakPolarHBondContact CE1-CD1 3.5Å; H469-Y471 AromaticContact CE1-CE1 3.51Å; H469-Y471 AromaticContact CE1-CG 3.95Å; H469-Y471 AromaticContact ND1-CD1 3.48Å; H469-Y471 WeakPolarHBondContact ND1-CD1 3.18Å; H469-Y471 AromaticContact ND1-CD2 3.83Å; H469-Y471 AromaticContact ND1-CE1 3.25Å; H469-Y471 WeakPolarHBondContact ND1-CE1 3.07Å; H469-Y471 AromaticContact ND1-CE2 3.61Å; H469-Y471 AromaticContact ND1-CG 3.76Å; H469-Y471 AromaticContact ND1-CZ 3.31Å; H469-Y471 VanDerWaalsContact ND1-CZ 3.31Å
470	T	82.3	Confident	76.6	Confident	48 Å²	48	46.7 Å²	46.7	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.7	-179	-58.1	0	0	0	0	109.7	N473 L477	T470-N473 HydrophobicContact CG2-CB 3.75Å; T470-N473 WeakPolarHBondContact CG2-OD1 3.41Å; T470-L477 HydrophobicContact CG2-CD1 3.97Å
471	Y	80.1	Confident	76.9	Confident	15 Å²	15	45 Å²	45	6%	0.059	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-37.1	-178	-51.7	-93.9	0	0	0	111.9	Y440 V446 R448 H469 I501 D533 L536 Q540	Y440-Y471 PolarHBondContact OH-O 3.21Å; Y440-Y471 VanDerWaalsContact OH-O 3.12Å; V446-Y471 HydrophobicContact CG1-CD2 4.11Å; V446-Y471 HydrophobicContact CG1-CG 4.43Å; V446-Y471 PolarHBondContact O-N 3Å; R448-Y471 HydrophobicContact CB-CE2 3.96Å; H469-Y471 AromaticContact CE1-CD1 3.44Å; H469-Y471 VanDerWaalsContact CE1-CD1 3.44Å; H469-Y471 WeakPolarHBondContact CE1-CD1 3.5Å; H469-Y471 AromaticContact CE1-CE1 3.51Å; H469-Y471 AromaticContact CE1-CG 3.95Å; H469-Y471 AromaticContact ND1-CD1 3.48Å; H469-Y471 WeakPolarHBondContact ND1-CD1 3.18Å; H469-Y471 AromaticContact ND1-CD2 3.83Å; H469-Y471 AromaticContact ND1-CE1 3.25Å; H469-Y471 WeakPolarHBondContact ND1-CE1 3.07Å; H469-Y471 AromaticContact ND1-CE2 3.61Å; H469-Y471 AromaticContact ND1-CG 3.76Å; H469-Y471 AromaticContact ND1-CZ 3.31Å; H469-Y471 VanDerWaalsContact ND1-CZ 3.31Å; Y471-I501 HydrophobicContact CE2-CD1 3.62Å; Y471-I501 VanDerWaalsContact OH-CD1 3.27Å; Y471-I501 WeakPolarHBondContact OH-CD1 3Å; Y471-D533 VanDerWaalsContact CE1-OD1 3.23Å; Y471-D533 WeakPolarHBondContact CE1-OD1 3.29Å; Y471-D533 VanDerWaalsContact CZ-OD1 3.27Å; Y471-D533 PolarHBondContact OH-OD1 2.93Å; Y471-L536 HydrophobicContact CD1-CB 3.96Å; Y471-L536 HydrophobicContact CD1-CD1 3.87Å; Y471-L536 HydrophobicContact CD2-CD1 4.04Å; Y471-L536 HydrophobicContact CE1-CB 4.3Å; Y471-L536 HydrophobicContact CE1-CD1 3.68Å; Y471-L536 HydrophobicContact CE2-CD1 3.88Å; Y471-L536 HydrophobicContact CG-CB 4.48Å; Y471-L536 HydrophobicContact CG-CD1 4.05Å; Y471-Q540 PolarHBondContact O-NE2 2.93Å
472	R	81	Confident	77.1	Confident	43 Å²	43	47.9 Å²	47.9	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	141	176	176.2	172.5	173.9	-81.1	0.5	109.6	Y440 C441 K443 V446	Y440-R472 HydrophobicContact CE1-CB 3.86Å; Y440-R472 HydrophobicContact CE1-CG 4.35Å; Y440-R472 WeakPolarHBondContact O-CD 3.48Å; Y440-R472 PolarHBondContact O-NH1 2.79Å; C441-R472 VanDerWaalsContact O-CZ 3.28Å; C441-R472 PolarHBondContact O-NH1 2.77Å; C441-R472 PolarHBondContact O-NH2 3.13Å; K443-R472 PolarHBondContact O-NH1 2.87Å; V446-R472 WeakPolarHBondContact CA-O 3.44Å; V446-R472 HydrophobicContact CB-CB 4.2Å; V446-R472 HydrophobicContact CG2-CB 4.28Å; V446-R472 PolarHBondContact N-O 3Å; V446-R472 PolarHBondContact O-N 2.97Å
473	N	79.6	Confident	77.2	Confident	65 Å²	65	45.9 Å²	45.9	35%	0.348	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	133.4	179.5	64	-80.8	0	0	0	110.1	D444 F445 T470 F475 R476	D444-N473 CarbonylContact O-C 3.6Å; D444-N473 VanDerWaalsContact O-CA 3.28Å; D444-N473 WeakPolarHBondContact O-CA 3.05Å; F445-N473 HydrophobicContact CD1-CB 4.29Å; T470-N473 HydrophobicContact CG2-CB 3.75Å; T470-N473 WeakPolarHBondContact CG2-OD1 3.41Å; N473-F475 VanDerWaalsContact CB-O 3.29Å; N473-F475 WeakPolarHBondContact CB-O 3.16Å; N473-F475 PolarHBondContact ND2-O 3.35Å; N473-R476 VanDerWaalsContact ND2-CA 3.32Å; N473-R476 WeakPolarHBondContact ND2-CA 3.34Å; N473-R476 PolarHBondContact ND2-N 3.49Å
474	R	67.4	Low	77.2	Confident	121 Å²	121	46.8 Å²	46.8	46%	0.457	21%	0.208	S	C	.	.	S	Bend	trans	-81.3	-25.9	175.3	-69.9	-163.5	-178	111.4	1.3	113	C441 K442 D444	C441-R474 PolarHBondContact O-NH2 2.89Å; K442-R474 PolarHBondContact O-NH1 3.47Å; K442-R474 PolarHBondContact O-NH2 2.99Å; D444-R474 PolarHBondContact O-N 2.04Å; D444-R474 WeakPolarHBondContact OD1-CD 3.47Å; D444-R474 IonicContact OD1-CZ 3.78Å; D444-R474 IonicContact OD1-NE 3.86Å; D444-R474 IonicContact OD1-NH1 2.93Å; D444-R474 PolarHBondContact OD1-NH1 2.63Å
475	F	67.1	Low	77.4	Confident	63 Å²	63	46.1 Å²	46.1	28%	0.276	21%	0.205	S	C	.	.	S	Bend	trans	-130.4	144.8	171.7	-40.5	-87	0	0	0	105.3	L344 D444 F445 N473 R506	L344-F475 HydrophobicContact CD1-CB 4.22Å; L344-F475 HydrophobicContact CD2-CB 3.85Å; L344-F475 HydrophobicContact CD2-CD2 4.37Å; L344-F475 HydrophobicContact CD2-CG 4.23Å; L344-F475 HydrophobicContact CG-CB 3.97Å; D444-F475 HydrophobicContact CB-CE2 4.47Å; F445-F475 HydrophobicContact CE1-CB 3.97Å; F445-F475 AromaticContact CE1-CD2 3.74Å; F445-F475 HydrophobicContact CE1-CD2 3.74Å; F445-F475 HydrophobicContact CE1-CG 4.35Å; F445-F475 WeakPolarHBondContact CE1-O 3.12Å; F445-F475 HydrophobicContact CZ-CB 4.44Å; F445-F475 AromaticContact CZ-CD2 3.73Å; F445-F475 HydrophobicContact CZ-CD2 3.73Å; N473-F475 VanDerWaalsContact CB-O 3.29Å; N473-F475 WeakPolarHBondContact CB-O 3.16Å; N473-F475 PolarHBondContact ND2-O 3.35Å; F475-R506 HydrophobicContact CE2-CB 4.34Å
476	R	61.4	Low	77.1	Confident	60 Å²	60	49.2 Å²	49.2	23%	0.226	23%	0.225	C	C	.	.			trans	-67.2	162.6	-177.4	165.9	-89.6	-177.2	59.9	-15.3	111.3	G339 R340 S342 L344 N473 E478	G339-R476 VanDerWaalsContact C-NH1 3.34Å; G339-R476 PolarHBondContact O-NH1 3.26Å; R340-R476 WeakPolarHBondContact O-CD 3.29Å; R340-R476 VanDerWaalsContact O-CG 3.32Å; R340-R476 WeakPolarHBondContact O-CG 3.41Å; R340-R476 PolarHBondContact O-NH1 3.41Å; S342-R476 VanDerWaalsContact CB-CD 3.47Å; S342-R476 WeakPolarHBondContact CB-O 3.5Å; S342-R476 VanDerWaalsContact OG-C 3.26Å; S342-R476 WeakPolarHBondContact OG-CA 3.34Å; S342-R476 PolarHBondContact OG-N 2.79Å; S342-R476 PolarHBondContact OG-O 3.31Å; L344-R476 WeakPolarHBondContact CD1-O 3.03Å; L344-R476 WeakPolarHBondContact CG-O 3.35Å; N473-R476 VanDerWaalsContact ND2-CA 3.32Å; N473-R476 WeakPolarHBondContact ND2-CA 3.34Å; N473-R476 PolarHBondContact ND2-N 3.49Å; R476-E478 WeakPolarHBondContact CD-OE1 3.41Å; R476-E478 IonicContact CZ-OE1 2.66Å; R476-E478 IonicContact CZ-OE2 2.69Å; R476-E478 VanDerWaalsContact CZ-OE2 3.23Å; R476-E478 IonicContact NE-OE1 2.9Å; R476-E478 PolarHBondContact NE-OE1 2.81Å; R476-E478 IonicContact NE-OE2 3.97Å; R476-E478 PolarHBondContact NE-OE2 2.85Å; R476-E478 IonicContact NH2-OE1 2.72Å; R476-E478 IonicContact NH2-OE2 3.71Å; R476-E478 PolarHBondContact NH2-OE2 2.82Å
477	L	63.4	Low	76.5	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.058	22%	0.219	C	C	.	.			trans	-114.4	136.4	176.9	-65	157.1	0	0	0	107.7	L344 F445 F447 I467 T470 E481 I517	L344-L477 HydrophobicContact CD1-CD2 3.81Å; L344-L477 HydrophobicContact CD1-CG 4.49Å; F445-L477 HydrophobicContact CB-CD1 4.36Å; F445-L477 HydrophobicContact CB-CD2 4.4Å; F445-L477 HydrophobicContact CD1-CD2 4.04Å; F445-L477 HydrophobicContact CD1-CG 4.33Å; F445-L477 HydrophobicContact CG-CD2 4.11Å; F447-L477 HydrophobicContact CB-CD1 3.9Å; F447-L477 HydrophobicContact CD1-CD1 3.46Å; F447-L477 VanDerWaalsContact CD1-CD1 3.46Å; F447-L477 HydrophobicContact CD1-CD2 4.42Å; F447-L477 HydrophobicContact CE1-CD1 4.15Å; F447-L477 HydrophobicContact CE1-CD2 4.3Å; F447-L477 HydrophobicContact CG-CD1 3.86Å; I467-L477 HydrophobicContact CG1-CB 4.27Å; I467-L477 HydrophobicContact CG2-CB 4.26Å; I467-L477 HydrophobicContact CG2-CD1 4.41Å; T470-L477 HydrophobicContact CG2-CD1 3.97Å; L477-E481 HydrophobicContact CD2-CG 4.43Å; L477-I517 HydrophobicContact CD2-CD1 3.47Å; L477-I517 VanDerWaalsContact CD2-CD1 3.47Å
478	E	64.4	Low	75.6	Confident	28 Å²	28	51.3 Å²	51.3	13%	0.131	24%	0.237	C	C	.	.			trans	-80	165.1	171.3	-57.1	-50.7	147.8	0	0	111.2	S342 R345 I467 R476 R480 E481	S342-E478 PolarHBondContact N-OE1 3.24Å; R345-E478 HydrophobicContact CG-CG 4.47Å; I467-E478 WeakPolarHBondContact CG1-O 3.4Å; R476-E478 WeakPolarHBondContact CD-OE1 3.41Å; R476-E478 IonicContact CZ-OE1 2.66Å; R476-E478 IonicContact CZ-OE2 2.69Å; R476-E478 VanDerWaalsContact CZ-OE2 3.23Å; R476-E478 IonicContact NE-OE1 2.9Å; R476-E478 PolarHBondContact NE-OE1 2.81Å; R476-E478 IonicContact NE-OE2 3.97Å; R476-E478 PolarHBondContact NE-OE2 2.85Å; R476-E478 IonicContact NH2-OE1 2.72Å; R476-E478 IonicContact NH2-OE2 3.71Å; R476-E478 PolarHBondContact NH2-OE2 2.82Å; E478-R480 PolarHBondContact O-N 3.26Å; E478-R480 VanDerWaalsContact O-N 3.08Å; E478-E481 PolarHBondContact N-OE1 3.07Å
479	H	57.8	Low	75.3	Confident	91 Å²	91	50.9 Å²	50.9	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	-63.7	-19.3	-174.4	-173.6	56.6	0	0	0	114	Q466 I467	Q466-H479 CarbonylContact C-O 3.53Å; Q466-H479 WeakPolarHBondContact CA-O 3.48Å; Q466-H479 PolarHBondContact NE2-CE1 2.88Å; Q466-H479 PolarHBondContact NE2-NE2 3.21Å; I467-H479 PolarHBondContact N-O 2.86Å; I467-H479 PolarHBondContact O-CE1 2.89Å; I467-H479 PolarHBondContact O-ND1 3Å
480	R	77.9	Confident	74.9	Confident	126 Å²	126	48.3 Å²	48.3	48%	0.475	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	114.2	176.9	-173.8	177.1	174	-169.6	-1.4	110.8	R345 L452 D464 V465 E478	R345-R480 PolarHBondContact NE-O 2.92Å; R345-R480 PolarHBondContact NH2-O 3.47Å; L452-R480 HydrophobicContact CD1-CG 4.34Å; D464-R480 VanDerWaalsContact OD1-CG 3.3Å; D464-R480 WeakPolarHBondContact OD1-CG 3.27Å; D464-R480 IonicContact OD1-CZ 3.39Å; D464-R480 IonicContact OD1-NE 2.76Å; D464-R480 PolarHBondContact OD1-NE 3.47Å; D464-R480 IonicContact OD1-NH2 3.57Å; D464-R480 IonicContact OD2-CZ 3.23Å; D464-R480 IonicContact OD2-NE 2.73Å; D464-R480 PolarHBondContact OD2-NE 2.03Å; D464-R480 VanDerWaalsContact OD2-NE 3.16Å; D464-R480 IonicContact OD2-NH2 3.76Å; D464-R480 PolarHBondContact OD2-NH2 3.13Å; V465-R480 WeakPolarHBondContact O-CA 3.46Å; E478-R480 PolarHBondContact O-N 3.26Å; E478-R480 VanDerWaalsContact O-N 3.08Å
481	E	84.3	Confident	74.5	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158	-171.2	-69	-73.6	-163.9	0	0	112.1	V465 I467 L477 E478 I517	V465-E481 PolarHBondContact N-O 2.74Å; V465-E481 PolarHBondContact O-N 3.01Å; I467-E481 HydrophobicContact CD1-CB 4.34Å; I467-E481 HydrophobicContact CD1-CG 4.25Å; I467-E481 HydrophobicContact CG1-CB 4.41Å; I467-E481 HydrophobicContact CG1-CG 3.94Å; L477-E481 HydrophobicContact CD2-CG 4.43Å; E478-E481 PolarHBondContact N-OE1 3.07Å; E481-I517 HydrophobicContact CB-CD1 4.02Å; E481-I517 HydrophobicContact CG-CD1 4.04Å
482	F	88.6	Confident	74.4	Confident	62 Å²	62	48 Å²	48	27%	0.272	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	172.3	-61.6	-48.5	0	0	0	111.2	R462	R462-F482 HydrophobicContact CG-CB 4.14Å; R462-F482 HydrophobicContact CG-CD1 4.41Å; R462-F482 HydrophobicContact CG-CG 4.46Å
483	L	89.8	Confident	74.4	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.9	178.8	179.2	66	0	0	0	109.5	Y463 V465 L494 L502 V504 I517 L519	Y463-L483 PolarHBondContact N-O 3.03Å; Y463-L483 PolarHBondContact O-N 3.5Å; V465-L483 HydrophobicContact CG2-CB 3.75Å; V465-L483 HydrophobicContact CG2-CD2 4.01Å; L483-L494 HydrophobicContact CD2-CD1 3.84Å; L483-L502 HydrophobicContact CD2-CD1 4.2Å; L483-L502 HydrophobicContact CD2-CD2 4.05Å; L483-V504 HydrophobicContact CD1-CB 4.47Å; L483-V504 HydrophobicContact CD1-CG1 4.22Å; L483-V504 HydrophobicContact CD1-CG2 4.29Å; L483-I517 HydrophobicContact CD1-CB 4.49Å; L483-I517 HydrophobicContact CD1-CG2 3.7Å; L483-L519 HydrophobicContact CD1-CB 4Å; L483-L519 HydrophobicContact CD1-CD1 4.34Å; L483-L519 HydrophobicContact CD2-CD1 3.88Å; L483-L519 HydrophobicContact CG-CB 4.41Å; L483-L519 HydrophobicContact CG-CD1 4.36Å
484	W	89.2	Confident	74.9	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.08	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.7	-177.6	-60.5	77.5	0	0	0	110.4	H348 R462 R516 I517 L518 L519	H348-W484 AromaticContact CE1-CH2 3.96Å; H348-W484 AromaticContact CE1-CZ2 3.97Å; H348-W484 AromaticContact NE2-CH2 3.71Å; H348-W484 AromaticContact NE2-CZ2 3.65Å; R462-W484 HydrophobicContact CB-CD2 4.25Å; R462-W484 HydrophobicContact CB-CE3 4.01Å; R462-W484 HydrophobicContact CB-CH2 4.18Å; R462-W484 HydrophobicContact CB-CZ2 4.4Å; R462-W484 HydrophobicContact CB-CZ3 3.98Å; R462-W484 HydrophobicContact CG-CD2 4.08Å; R462-W484 HydrophobicContact CG-CE3 4.3Å; R462-W484 HydrophobicContact CG-CH2 4.07Å; R462-W484 HydrophobicContact CG-CZ2 3.83Å; R462-W484 HydrophobicContact CG-CZ3 4.3Å; W484-R516 HydrophobicContact CG-CG 4.48Å; W484-I517 PolarHBondContact N-O 3.29Å; W484-L518 HydrophobicContact CB-CD1 4.28Å; W484-L519 PolarHBondContact O-N 2.79Å
485	V	88.1	Confident	75.9	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.7	-179.8	-169.6	0	0	0	0	108.6	E460 T461 Y463 N487 C491 L519	E460-V485 CarbonylContact C-O 3.47Å; E460-V485 WeakPolarHBondContact CA-O 3.49Å; T461-V485 PolarHBondContact N-O 2.88Å; T461-V485 PolarHBondContact O-N 2.83Å; Y463-V485 HydrophobicContact CD2-CB 4.48Å; Y463-V485 HydrophobicContact CD2-CG2 3.54Å; Y463-V485 HydrophobicContact CE2-CB 4.16Å; Y463-V485 HydrophobicContact CE2-CG2 3.5Å; Y463-V485 VanDerWaalsContact CE2-CG2 3.5Å; V485-N487 PolarHBondContact O-N 2.68Å; V485-C491 WeakPolarHBondContact CG1-O 3.22Å; V485-L519 HydrophobicContact CG1-CD2 4.23Å; V485-L519 HydrophobicContact CG2-CB 4.03Å; V485-L519 HydrophobicContact CG2-CD2 4.46Å
486	P	82.9	Confident	77	Confident	66 Å²	66	43.8 Å²	43.8	43%	0.429	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	115.9	170.1	-22.4	34.7	0	0	0	110.4	L488 L518 L519	P486-L488 PolarHBondContact O-N 3.07Å; P486-L518 HydrophobicContact CG-CD1 4.35Å; P486-L519 VanDerWaalsContact CD-O 3.26Å; P486-L519 WeakPolarHBondContact CD-O 3.41Å
487	N	67.3	Low	78	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.08	24%	0.237	C	C	.	.			trans	-97.8	63.6	-169.8	-172.3	28.8	0	0	0	112.2	Y456 E459 T461 V485 D490	Y456-N487 WeakPolarHBondContact CD1-ND2 3.39Å; E459-N487 PolarHBondContact O-N 2.89Å; T461-N487 VanDerWaalsContact OG1-CB 3.32Å; T461-N487 WeakPolarHBondContact OG1-CB 2.97Å; T461-N487 PolarHBondContact OG1-ND2 3.28Å; V485-N487 PolarHBondContact O-N 2.68Å; N487-D490 WeakPolarHBondContact OD1-CA 3.23Å; N487-D490 PolarHBondContact OD1-N 3.34Å
488	L	63.8	Low	79.4	Confident	85 Å²	85	48.5 Å²	48.5	45%	0.445	26%	0.259	S	S	.	.	S	Bend	trans	-81.1	-25.6	172.7	-164.1	65.7	0	0	0	112.4	K422 P486	K422-L488 HydrophobicContact CD-CD1 3.87Å; K422-L488 HydrophobicContact CD-CD2 4.12Å; K422-L488 HydrophobicContact CD-CG 4.22Å; P486-L488 PolarHBondContact O-N 3.07Å
489	C	68.1	Low	80.7	Confident	48 Å²	48	49.8 Å²	49.8	32%	0.324	27%	0.265	S	S	.	.	S	Bend	trans	-152.7	21.5	-176	-71.4	0	0	0	0	114	C424 C491	C424-C489 WeakPolarHBondContact CA-SG 3.47Å; C424-C489 HydrophobicContact CB-CB 3.74Å; C424-C489 WeakPolarHBondContact CB-SG 3.38Å; C424-C489 VanDerWaalsContact SG-CA 3.54Å; C424-C489 WeakPolarHBondContact SG-CB 3.21Å; C424-C489 CovalentContact SG-SG 2.04Å; C424-C489 PolarHBondContact SG-SG 3.02Å; C489-C491 PolarHBondContact O-N 3.09Å; C489-C491 VanDerWaalsContact O-N 3.1Å; C489-C491 PolarHBondContact O-SG 2.79Å
490	D	68.6	Low	82.5	Confident	32 Å²	32	46.3 Å²	46.3	17%	0.171	25%	0.248	C	C	.	.			trans	49.2	34.1	-172.9	-157.9	22.4	0	0	0	113.9	K454 Y463 N487 P492 D493	K454-D490 IonicContact NZ-OD1 3.16Å; K454-D490 PolarHBondContact NZ-OD1 3.11Å; K454-D490 IonicContact NZ-OD2 2.7Å; K454-D490 PolarHBondContact NZ-OD2 3.23Å; Y463-D490 PolarHBondContact OH-OD1 2.86Å; N487-D490 WeakPolarHBondContact OD1-CA 3.23Å; N487-D490 PolarHBondContact OD1-N 3.34Å; D490-P492 CarbonylContact O-C 3.53Å; D490-D493 WeakPolarHBondContact O-CA 3.32Å; D490-D493 PolarHBondContact O-N 3.42Å
491	C	74.4	Confident	83.3	Confident	25 Å²	25	40.3 Å²	40.3	17%	0.169	23%	0.225	C	C	.	.			trans	-103	131.4	179.2	-71.2	0	0	0	0	111	C427 V485 C489	C427-C491 VanDerWaalsContact CA-SG 3.5Å; C427-C491 HydrophobicContact CB-CB 3.68Å; C427-C491 WeakPolarHBondContact CB-SG 3.46Å; C427-C491 VanDerWaalsContact SG-CA 3.57Å; C427-C491 WeakPolarHBondContact SG-CB 3.45Å; C427-C491 CovalentContact SG-SG 2.04Å; C427-C491 PolarHBondContact SG-SG 3.2Å; V485-C491 WeakPolarHBondContact CG1-O 3.22Å; C489-C491 PolarHBondContact O-N 3.09Å; C489-C491 VanDerWaalsContact O-N 3.1Å; C489-C491 PolarHBondContact O-SG 2.79Å
492	P	76.7	Confident	83.9	Confident	31 Å²	31	39.9 Å²	39.9	20%	0.201	22%	0.223	C	C	.	.	S	Bend	cis	-78.9	133.8	-14.5	32.4	-31.7	0	0	0	111.6	D490 L494 L519 V525	D490-P492 CarbonylContact O-C 3.53Å; P492-L494 HydrophobicContact CB-CD2 4.33Å; P492-L494 HydrophobicContact CG-CD2 4.17Å; P492-L494 WeakPolarHBondContact O-CG 3.24Å; P492-L494 PolarHBondContact O-N 3.41Å; P492-L519 VanDerWaalsContact CD-CD2 3.45Å; P492-L519 HydrophobicContact CG-CD2 3.66Å; P492-V525 HydrophobicContact CG-CG2 4.33Å
493	D	82.1	Confident	84.2	Confident	63 Å²	63	37 Å²	37	34%	0.337	21%	0.21	S	C	.	.			trans	-64.9	114.6	173.5	171.6	50.9	0	0	0	111.6	K454 D490 Q495	K454-D493 IonicContact NZ-OD1 3.34Å; K454-D493 PolarHBondContact NZ-OD1 2.68Å; D490-D493 WeakPolarHBondContact O-CA 3.32Å; D490-D493 PolarHBondContact O-N 3.42Å; D493-Q495 PolarHBondContact OD1-NE2 3.27Å; D493-Q495 WeakPolarHBondContact OD2-CG 3.34Å; D493-Q495 PolarHBondContact OD2-NE2 3.33Å
494	L	89.7	Confident	84.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.21	C	C	.	.			trans	-105	101.8	178.6	-48.3	-177.8	0	0	0	110.1	V451 Y463 L483 P492 Y500 L502 L519 V525	V451-L494 HydrophobicContact CG2-CB 3.75Å; Y463-L494 HydrophobicContact CD1-CB 3.91Å; Y463-L494 HydrophobicContact CE1-CB 3.59Å; Y463-L494 HydrophobicContact CE1-CG 4.29Å; Y463-L494 WeakPolarHBondContact CE1-O 3.39Å; Y463-L494 HydrophobicContact CG-CD1 4.46Å; Y463-L494 PolarHBondContact OH-N 2.96Å; L483-L494 HydrophobicContact CD2-CD1 3.84Å; P492-L494 HydrophobicContact CB-CD2 4.33Å; P492-L494 HydrophobicContact CG-CD2 4.17Å; P492-L494 WeakPolarHBondContact O-CG 3.24Å; P492-L494 PolarHBondContact O-N 3.41Å; L494-Y500 HydrophobicContact CB-CE2 4.24Å; L494-Y500 HydrophobicContact CD2-CD1 4.04Å; L494-Y500 HydrophobicContact CD2-CE1 3.9Å; L494-Y500 HydrophobicContact CD2-CG 4.4Å; L494-L502 HydrophobicContact CD1-CD2 4.14Å; L494-L519 HydrophobicContact CD1-CD1 4.16Å; L494-V525 HydrophobicContact CD2-CG1 3.86Å
495	Q	89.4	Confident	84.3	Confident	78 Å²	78	40.1 Å²	40.1	36%	0.364	22%	0.222	S	C	.	.			trans	-72.8	128.8	-172.2	-74.6	-74.1	-34.2	0	0	111.9	D493 K498 Y500	D493-Q495 PolarHBondContact OD1-NE2 3.27Å; D493-Q495 WeakPolarHBondContact OD2-CG 3.34Å; D493-Q495 PolarHBondContact OD2-NE2 3.33Å; Q495-K498 HydrophobicContact CB-CD 3.77Å; Q495-K498 HydrophobicContact CB-CG 4.15Å; Q495-K498 WeakPolarHBondContact O-CB 3.32Å; Q495-K498 PolarHBondContact O-N 2.91Å; Q495-Y500 PolarHBondContact N-OH 2.78Å
496	P	89.4	Confident	84.3	Confident	62 Å²	62	42.3 Å²	42.3	40%	0.403	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	148.6	174.2	-28.8	36.6	0	0	0	113.8	V451 K498	V451-P496 HydrophobicContact CG1-CG 4.4Å; P496-K498 PolarHBondContact O-N 3.07Å; P496-K498 VanDerWaalsContact O-N 3.09Å
497	G	81.9	Confident	84.2	Confident	52 Å²	52	41.3 Å²	41.3	54%	0.536	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-23.9	-174.1	0	0	0	0	0	115.1	V451	V451-G497 PolarHBondContact O-N 2.95Å
498	K	92.1	Very high	84.5	Confident	118 Å²	118	44.3 Å²	44.3	51%	0.513	24%	0.235	S	C	.	.			trans	-83	152.9	-176.1	-55.8	-170.1	-165.2	166.3	0	112.4	R450 V451 Q495 P496 Y500	R450-K498 WeakPolarHBondContact CA-O 3.31Å; V451-K498 PolarHBondContact N-O 2.69Å; V451-K498 VanDerWaalsContact N-O 3.08Å; Q495-K498 HydrophobicContact CB-CD 3.77Å; Q495-K498 HydrophobicContact CB-CG 4.15Å; Q495-K498 WeakPolarHBondContact O-CB 3.32Å; Q495-K498 PolarHBondContact O-N 2.91Å; P496-K498 PolarHBondContact O-N 3.07Å; P496-K498 VanDerWaalsContact O-N 3.09Å; K498-Y500 HydrophobicContact CB-CE2 3.77Å
499	Q	92.8	Very high	84.9	Confident	54 Å²	54	42.8 Å²	42.8	25%	0.252	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.2	178.2	-73.3	179.8	75.5	0	0	111.4	G449 R450 I468 Y528	G449-Q499 CarbonylContact O-C 3.45Å; G449-Q499 VanDerWaalsContact O-CA 3.27Å; G449-Q499 WeakPolarHBondContact O-CA 3.41Å; R450-Q499 HydrophobicContact CB-CG 4.01Å; I468-Q499 HydrophobicContact CD1-CG 3.9Å; Q499-Y528 HydrophobicContact CB-CD1 4.25Å; Q499-Y528 HydrophobicContact CB-CG 4.46Å; Q499-Y528 PolarHBondContact O-N 2.99Å
500	Y	96.3	Very high	85	Confident	18 Å²	18	51 Å²	51	7%	0.071	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.5	-177.9	-65.5	-96.6	0	0	0	111.1	R448 G449 V451 L494 Q495 K498 V525 V526 P527	R448-Y500 CarbonylContact C-O 3.49Å; R448-Y500 VanDerWaalsContact CA-O 3.31Å; R448-Y500 WeakPolarHBondContact CA-O 3.34Å; G449-Y500 PolarHBondContact N-O 3.34Å; G449-Y500 PolarHBondContact O-N 2.95Å; V451-Y500 HydrophobicContact CG2-CD2 3.99Å; V451-Y500 HydrophobicContact CG2-CE2 3.98Å; L494-Y500 HydrophobicContact CB-CE2 4.24Å; L494-Y500 HydrophobicContact CD2-CD1 4.04Å; L494-Y500 HydrophobicContact CD2-CE1 3.9Å; L494-Y500 HydrophobicContact CD2-CG 4.4Å; Q495-Y500 PolarHBondContact N-OH 2.78Å; K498-Y500 HydrophobicContact CB-CE2 3.77Å; Y500-V525 HydrophobicContact CD1-CG1 4.14Å; Y500-V526 CarbonylContact C-O 3.53Å; Y500-V526 VanDerWaalsContact CA-O 3.29Å; Y500-V526 WeakPolarHBondContact CA-O 3.32Å; Y500-P527 HydrophobicContact CD1-CG 4.36Å; Y500-P527 HydrophobicContact CE1-CG 4.1Å
501	I	94.9	Very high	84.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.9	158.6	-59	-59.9	0	0	0	107.4	F447 R448 Y471 M503 Y524 V525 V526 Y528 E532 L536	F447-I501 WeakPolarHBondContact O-CA 3.43Å; R448-I501 HydrophobicContact CB-CD1 4.06Å; R448-I501 HydrophobicContact CG-CD1 4.43Å; Y471-I501 HydrophobicContact CE2-CD1 3.62Å; Y471-I501 VanDerWaalsContact OH-CD1 3.27Å; Y471-I501 WeakPolarHBondContact OH-CD1 3Å; I501-M503 HydrophobicContact CG2-CE 4.33Å; I501-Y524 HydrophobicContact CG2-CD1 4.49Å; I501-Y524 HydrophobicContact CG2-CE1 4.26Å; I501-V525 WeakPolarHBondContact O-CA 3.35Å; I501-V526 HydrophobicContact CB-CG2 3.84Å; I501-V526 HydrophobicContact CG1-CG2 4.2Å; I501-V526 PolarHBondContact N-O 2.74Å; I501-V526 PolarHBondContact O-N 3.15Å; I501-V526 VanDerWaalsContact O-N 3.14Å; I501-Y528 HydrophobicContact CD1-CD2 3.93Å; I501-Y528 HydrophobicContact CG1-CD2 4.36Å; I501-E532 HydrophobicContact CG1-CB 4.08Å; I501-E532 HydrophobicContact CG1-CG 4.46Å; I501-L536 HydrophobicContact CD1-CD1 3.93Å; I501-L536 HydrophobicContact CG1-CD1 4.31Å; I501-L536 HydrophobicContact CG2-CD1 4.04Å
502	L	95.2	Very high	83.7	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.1	-173.9	-69.4	155.8	0	0	0	109.3	V446 F447 V465 L483 L494 V504 L519 V525	V446-L502 WeakPolarHBondContact CA-O 3.44Å; F447-L502 HydrophobicContact CD2-CB 4.35Å; F447-L502 HydrophobicContact CD2-CD1 4.16Å; F447-L502 HydrophobicContact CE1-CB 4.29Å; F447-L502 HydrophobicContact CE2-CB 3.98Å; F447-L502 HydrophobicContact CE2-CD1 3.4Å; F447-L502 VanDerWaalsContact CE2-CD1 3.4Å; F447-L502 HydrophobicContact CE2-CG 4.31Å; F447-L502 HydrophobicContact CZ-CB 3.96Å; F447-L502 HydrophobicContact CZ-CD1 3.88Å; F447-L502 PolarHBondContact N-O 3.32Å; F447-L502 VanDerWaalsContact N-O 3.08Å; F447-L502 PolarHBondContact O-N 3.22Å; V465-L502 HydrophobicContact CG1-CD1 4.39Å; L483-L502 HydrophobicContact CD2-CD1 4.2Å; L483-L502 HydrophobicContact CD2-CD2 4.05Å; L494-L502 HydrophobicContact CD1-CD2 4.14Å; L502-V504 HydrophobicContact CB-CG1 4.42Å; L502-L519 HydrophobicContact CD2-CD1 3.69Å; L502-V525 HydrophobicContact CD2-CG1 3.72Å; L502-V525 HydrophobicContact CD2-CG2 4.11Å
503	M	94.7	Very high	82.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97	173.3	-56.2	-168.2	-176.9	0	0	110.1	R436 Q439 Y440 K443 F445 V446 I501 S523 Y524 L536	R436-M503 HydrophobicContact CG-CE 3.87Å; Q439-M503 HydrophobicContact CB-CB 4.39Å; Q439-M503 HydrophobicContact CB-SD 3.67Å; Y440-M503 HydrophobicContact CD2-CE 4Å; Y440-M503 PolarHBondContact N-SD 3.13Å; Y440-M503 VanDerWaalsContact N-SD 3.45Å; K443-M503 HydrophobicContact CB-CB 4.49Å; K443-M503 HydrophobicContact CG-CB 4.32Å; F445-M503 CarbonylContact O-C 3.59Å; F445-M503 VanDerWaalsContact O-CA 3.29Å; F445-M503 WeakPolarHBondContact O-CA 3.34Å; V446-M503 HydrophobicContact CG1-CE 3.99Å; V446-M503 HydrophobicContact CG1-CG 4.02Å; V446-M503 HydrophobicContact CG1-SD 4.48Å; V446-M503 HydrophobicContact CG2-CB 4.48Å; V446-M503 HydrophobicContact CG2-CG 4.11Å; V446-M503 HydrophobicContact CG2-SD 4.48Å; I501-M503 HydrophobicContact CG2-CE 4.33Å; M503-S523 VanDerWaalsContact O-CB 3.32Å; M503-S523 WeakPolarHBondContact O-CB 3.03Å; M503-Y524 HydrophobicContact CE-CD1 3.64Å; M503-Y524 HydrophobicContact CE-CE1 3.97Å; M503-Y524 HydrophobicContact CE-CG 4.31Å; M503-Y524 HydrophobicContact CG-CD1 3.93Å; M503-Y524 HydrophobicContact CG-CG 4.37Å; M503-Y524 PolarHBondContact N-O 2.79Å; M503-Y524 HydrophobicContact SD-CD1 3.79Å; M503-Y524 HydrophobicContact SD-CG 3.98Å; M503-L536 HydrophobicContact CE-CD2 3.42Å; M503-L536 VanDerWaalsContact CE-CD2 3.42Å
504	V	93.8	Very high	81	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.9	-162	-66.1	0	0	0	0	112	D444 F445 F447 L483 L502 I517 L519	D444-V504 PolarHBondContact N-O 2.84Å; F445-V504 HydrophobicContact CB-CG2 4.01Å; F445-V504 HydrophobicContact CD2-CG2 4.22Å; F445-V504 WeakPolarHBondContact CD2-O 3.06Å; F445-V504 PolarHBondContact N-O 3.21Å; F445-V504 PolarHBondContact O-N 2.92Å; F447-V504 HydrophobicContact CE1-CG2 3.57Å; F447-V504 HydrophobicContact CZ-CG2 4.13Å; L483-V504 HydrophobicContact CD1-CB 4.47Å; L483-V504 HydrophobicContact CD1-CG1 4.22Å; L483-V504 HydrophobicContact CD1-CG2 4.29Å; L502-V504 HydrophobicContact CB-CG1 4.42Å; V504-I517 HydrophobicContact CB-CG2 4.2Å; V504-I517 HydrophobicContact CG2-CG2 3.51Å; V504-L519 HydrophobicContact CG1-CB 3.98Å; V504-L519 HydrophobicContact CG1-CD1 3.91Å; V504-L519 HydrophobicContact CG1-CG 3.81Å
505	R	88.9	Confident	80	Confident	90 Å²	90	68.1 Å²	68.1	34%	0.34	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	164.6	-174	73.1	175	-81.2	-174.6	-2.5	112.9	K443 D444 L518 E520	K443-R505 HydrophobicContact CD-CB 4.39Å; D444-R505 WeakPolarHBondContact OD2-CA 3.32Å; R505-L518 HydrophobicContact CG-CB 4.13Å; R505-L518 PolarHBondContact N-O 3.35Å; R505-L518 VanDerWaalsContact N-O 3.12Å; R505-L518 PolarHBondContact O-N 3.02Å; R505-E520 WeakPolarHBondContact CD-OE1 3.42Å; R505-E520 WeakPolarHBondContact CD-OE2 3.13Å; R505-E520 HydrophobicContact CG-CG 4.33Å; R505-E520 IonicContact CZ-OE1 3.08Å; R505-E520 IonicContact NE-OE1 3.09Å; R505-E520 IonicContact NH1-OE1 2.76Å; R505-E520 PolarHBondContact NH1-OE1 3.26Å
506	R	86.7	Confident	79.6	Confident	49 Å²	49	66.1 Å²	66.1	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.2	158.4	-163.3	174.6	178.8	-164.9	-5.3	108.4	L344 D444 F445 F475 I508 N515	L344-R506 HydrophobicContact CD2-CG 4.21Å; D444-R506 HydrophobicContact CB-CB 4.41Å; D444-R506 PolarHBondContact OD2-N 2.64Å; F445-R506 HydrophobicContact CE2-CB 3.92Å; F445-R506 HydrophobicContact CZ-CB 3.95Å; F445-R506 HydrophobicContact CZ-CG 4.43Å; F475-R506 HydrophobicContact CE2-CB 4.34Å; R506-I508 HydrophobicContact CG-CG1 4.16Å; R506-N515 PolarHBondContact NE-OD1 3.33Å; R506-N515 PolarHBondContact NH2-ND2 2.9Å; R506-N515 VanDerWaalsContact NH2-ND2 3.14Å; R506-N515 PolarHBondContact NH2-OD1 3.23Å; R506-N515 VanDerWaalsContact NH2-OD1 3.09Å
507	H	81.1	Confident	79.6	Confident	46 Å²	46	63.4 Å²	63.4	21%	0.213	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.7	169.1	-176.6	-94.5	0	0	0	109.1	N515 R516 L518	H507-N515 WeakPolarHBondContact O-CA 3.36Å; H507-R516 HydrophobicContact CB-CG 4.21Å; H507-R516 PolarHBondContact N-O 3.16Å; H507-R516 PolarHBondContact O-N 2.82Å; H507-L518 HydrophobicContact CB-CB 3.62Å; H507-L518 HydrophobicContact CB-CD2 3.87Å; H507-L518 HydrophobicContact CB-CG 4.33Å
508	I	74.9	Confident	80	Confident	77 Å²	77	61.6 Å²	61.6	40%	0.395	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.6	174	-51.6	178.2	0	0	0	106.4	R506 R512 L514	R506-I508 HydrophobicContact CG-CG1 4.16Å; I508-R512 HydrophobicContact CG2-CB 4.27Å; I508-R512 HydrophobicContact CG2-CG 4.2Å; I508-L514 CarbonylContact C-O 3.52Å; I508-L514 WeakPolarHBondContact CA-O 3.45Å; I508-L514 WeakPolarHBondContact CG2-O 3.37Å
509	N	71	Confident	80	Confident	54 Å²	54	56.1 Å²	56.1	29%	0.289	25%	0.249	S	C	.	.			trans	-69	159.7	174.8	-173.3	29.3	0	0	0	110.6	E511 R512 L514	N509-E511 VanDerWaalsContact C-N 3.27Å; N509-E511 PolarHBondContact ND2-OE2 3.44Å; N509-E511 PolarHBondContact O-N 3.28Å; N509-R512 WeakPolarHBondContact O-CA 3.24Å; N509-R512 PolarHBondContact O-N 3.12Å; N509-L514 HydrophobicContact CB-CB 3.91Å; N509-L514 HydrophobicContact CB-CD1 4.3Å; N509-L514 HydrophobicContact CB-CG 4.43Å; N509-L514 PolarHBondContact N-O 3.39Å
510	Y	69.4	Low	79.7	Confident	220 Å²	220	56 Å²	56	86%	0.863	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-46	177.8	179.8	-102.3	0	0	0	112.5	R512	Y510-R512 PolarHBondContact O-N 2.03Å
511	E	56.8	Low	79	Confident	132 Å²	132	62 Å²	62	62%	0.617	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-7	176.7	-55.1	168.3	161.1	0	0	114.3	N509 T513	N509-E511 VanDerWaalsContact C-N 3.27Å; N509-E511 PolarHBondContact ND2-OE2 3.44Å; N509-E511 PolarHBondContact O-N 3.28Å; E511-T513 HydrophobicContact CB-CG2 3.81Å; E511-T513 PolarHBondContact O-N 3.3Å; E511-T513 PolarHBondContact OE2-OG1 2.91Å
512	R	60.7	Low	78.6	Confident	208 Å²	208	65 Å²	65	79%	0.785	29%	0.294	S	S	*	.	S	Bend	trans	60.2	3.3	-171.4	-52.9	-178.7	179.7	-176.1	0.2	115.8	I508 N509 Y510 L514	I508-R512 HydrophobicContact CG2-CB 4.27Å; I508-R512 HydrophobicContact CG2-CG 4.2Å; N509-R512 WeakPolarHBondContact O-CA 3.24Å; N509-R512 PolarHBondContact O-N 3.12Å; Y510-R512 PolarHBondContact O-N 2.03Å; R512-L514 VanDerWaalsContact C-N 3.26Å; R512-L514 PolarHBondContact O-N 2.77Å
513	T	45.8	Very low	78.3	Confident	82 Å²	82	65.2 Å²	65.2	50%	0.503	30%	0.295	S	S	.	.			trans	-59.4	-30.7	174.3	48.3	0	0	0	0	113.7	Q346 E511	Q346-T513 PolarHBondContact NE2-O 2.75Å; E511-T513 HydrophobicContact CB-CG2 3.81Å; E511-T513 PolarHBondContact O-N 3.3Å; E511-T513 PolarHBondContact OE2-OG1 2.91Å
514	L	55.4	Low	78.2	Confident	67 Å²	67	65.5 Å²	65.5	35%	0.351	30%	0.297	S	S	.	.			trans	-111.7	137.3	173.2	-63.7	167.8	0	0	0	110.5	I508 N509 R512	I508-L514 CarbonylContact C-O 3.52Å; I508-L514 WeakPolarHBondContact CA-O 3.45Å; I508-L514 WeakPolarHBondContact CG2-O 3.37Å; N509-L514 HydrophobicContact CB-CB 3.91Å; N509-L514 HydrophobicContact CB-CD1 4.3Å; N509-L514 HydrophobicContact CB-CG 4.43Å; N509-L514 PolarHBondContact N-O 3.39Å; R512-L514 VanDerWaalsContact C-N 3.26Å; R512-L514 PolarHBondContact O-N 2.77Å
515	N	69.5	Low	78.2	Confident	23 Å²	23	66.5 Å²	66.5	12%	0.123	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	98.6	176.8	168.9	34	0	0	0	107.8	P343 Q346 R506 H507	P343-N515 PolarHBondContact O-ND2 2.78Å; Q346-N515 HydrophobicContact CG-CB 4.11Å; Q346-N515 WeakPolarHBondContact CG-O 3.44Å; Q346-N515 PolarHBondContact OE1-O 3.09Å; R506-N515 PolarHBondContact NE-OD1 3.33Å; R506-N515 PolarHBondContact NH2-ND2 2.9Å; R506-N515 VanDerWaalsContact NH2-ND2 3.14Å; R506-N515 PolarHBondContact NH2-OD1 3.23Å; R506-N515 VanDerWaalsContact NH2-OD1 3.09Å; H507-N515 WeakPolarHBondContact O-CA 3.36Å
516	R	81.2	Confident	78.4	Confident	35 Å²	35	63.3 Å²	63.3	13%	0.132	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	163.2	-169.6	66.2	-172.9	179.9	173	1.9	113	E460 W484 H507	E460-R516 VanDerWaalsContact CD-NH1 3.34Å; E460-R516 IonicContact OE1-CZ 3.22Å; E460-R516 VanDerWaalsContact OE1-CZ 3.28Å; E460-R516 IonicContact OE1-NH1 3.65Å; E460-R516 PolarHBondContact OE1-NH1 2.95Å; E460-R516 IonicContact OE1-NH2 2.73Å; E460-R516 PolarHBondContact OE1-NH2 3.14Å; E460-R516 IonicContact OE2-CZ 3.86Å; E460-R516 IonicContact OE2-NH1 3.78Å; E460-R516 PolarHBondContact OE2-NH1 3.29Å; E460-R516 IonicContact OE2-NH2 2.66Å; W484-R516 HydrophobicContact CG-CG 4.48Å; H507-R516 HydrophobicContact CB-CG 4.21Å; H507-R516 PolarHBondContact N-O 3.16Å; H507-R516 PolarHBondContact O-N 2.82Å
517	I	88.8	Confident	78.7	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.8	170	-54.1	178.3	0	0	0	108.4	L344 F445 L477 E481 L483 W484 V504	L344-I517 HydrophobicContact CD1-CD1 4.2Å; L344-I517 HydrophobicContact CD1-CG1 4.33Å; F445-I517 HydrophobicContact CD2-CG1 4.36Å; F445-I517 HydrophobicContact CD2-CG2 4Å; F445-I517 HydrophobicContact CE2-CG1 4.13Å; F445-I517 HydrophobicContact CE2-CG2 4.39Å; L477-I517 HydrophobicContact CD2-CD1 3.47Å; L477-I517 VanDerWaalsContact CD2-CD1 3.47Å; E481-I517 HydrophobicContact CB-CD1 4.02Å; E481-I517 HydrophobicContact CG-CD1 4.04Å; L483-I517 HydrophobicContact CD1-CB 4.49Å; L483-I517 HydrophobicContact CD1-CG2 3.7Å; W484-I517 PolarHBondContact N-O 3.29Å; V504-I517 HydrophobicContact CB-CG2 4.2Å; V504-I517 HydrophobicContact CG2-CG2 3.51Å
518	L	90.5	Very high	79.3	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.3	-178.9	-176	72.6	0	0	0	110.4	W484 P486 R505 H507 E520	W484-L518 HydrophobicContact CB-CD1 4.28Å; P486-L518 HydrophobicContact CG-CD1 4.35Å; R505-L518 HydrophobicContact CG-CB 4.13Å; R505-L518 PolarHBondContact N-O 3.35Å; R505-L518 VanDerWaalsContact N-O 3.12Å; R505-L518 PolarHBondContact O-N 3.02Å; H507-L518 HydrophobicContact CB-CB 3.62Å; H507-L518 HydrophobicContact CB-CD2 3.87Å; H507-L518 HydrophobicContact CB-CG 4.33Å; L518-E520 HydrophobicContact CD2-CG 4.15Å; L518-E520 HydrophobicContact CG-CG 4.48Å
519	L	90.9	Very high	80	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	32%	0.321	C	S	.	.			trans	-94.3	104.5	167	-163.5	148.6	0	0	0	108.1	L483 W484 V485 P486 P492 L494 L502 V504 V525	L483-L519 HydrophobicContact CD1-CB 4Å; L483-L519 HydrophobicContact CD1-CD1 4.34Å; L483-L519 HydrophobicContact CD2-CD1 3.88Å; L483-L519 HydrophobicContact CG-CB 4.41Å; L483-L519 HydrophobicContact CG-CD1 4.36Å; W484-L519 PolarHBondContact O-N 2.79Å; V485-L519 HydrophobicContact CG1-CD2 4.23Å; V485-L519 HydrophobicContact CG2-CB 4.03Å; V485-L519 HydrophobicContact CG2-CD2 4.46Å; P486-L519 VanDerWaalsContact CD-O 3.26Å; P486-L519 WeakPolarHBondContact CD-O 3.41Å; P492-L519 VanDerWaalsContact CD-CD2 3.45Å; P492-L519 HydrophobicContact CG-CD2 3.66Å; L494-L519 HydrophobicContact CD1-CD1 4.16Å; L502-L519 HydrophobicContact CD2-CD1 3.69Å; V504-L519 HydrophobicContact CG1-CB 3.98Å; V504-L519 HydrophobicContact CG1-CD1 3.91Å; V504-L519 HydrophobicContact CG1-CG 3.81Å; L519-V525 HydrophobicContact CD1-CG2 3.86Å; L519-V525 HydrophobicContact CD2-CG2 4.31Å; L519-V525 HydrophobicContact CG-CG2 4.27Å
520	E	87.3	Confident	80.7	Confident	51 Å²	51	71.9 Å²	71.9	24%	0.238	34%	0.337	C	S	.	.			trans	-75.6	156.5	170.2	-65.3	162.8	131.4	0	0	110.3	K443 R505 L518 D522 S523	K443-E520 IonicContact NZ-OE2 3.6Å; K443-E520 PolarHBondContact NZ-OE2 3.28Å; R505-E520 WeakPolarHBondContact CD-OE1 3.42Å; R505-E520 WeakPolarHBondContact CD-OE2 3.13Å; R505-E520 HydrophobicContact CG-CG 4.33Å; R505-E520 IonicContact CZ-OE1 3.08Å; R505-E520 IonicContact NE-OE1 3.09Å; R505-E520 IonicContact NH1-OE1 2.76Å; R505-E520 PolarHBondContact NH1-OE1 3.26Å; L518-E520 HydrophobicContact CD2-CG 4.15Å; L518-E520 HydrophobicContact CG-CG 4.48Å; E520-D522 WeakPolarHBondContact CB-OD1 3.21Å; E520-D522 PolarHBondContact O-N 3.47Å; E520-S523 PolarHBondContact N-OG 3.26Å; E520-S523 WeakPolarHBondContact O-CB 3.26Å; E520-S523 PolarHBondContact O-N 2.77Å; E520-S523 PolarHBondContact O-OG 2.79Å
521	E	82	Confident	81.6	Confident	144 Å²	144	69.7 Å²	69.7	67%	0.673	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.2	174.8	-172	170.6	-157.4	0	0	113	S523	E521-S523 VanDerWaalsContact C-N 3.26Å; E521-S523 PolarHBondContact O-N 3.2Å
522	D	85.4	Confident	83.1	Confident	64 Å²	64	64.7 Å²	64.7	34%	0.342	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	7.9	174.8	91.5	-37.1	0	0	0	114.4	V430 Q439 K443 E520	V430-D522 WeakPolarHBondContact CG2-O 3.47Å; Q439-D522 PolarHBondContact NE2-O 3.22Å; Q439-D522 PolarHBondContact OE1-O 3.02Å; K443-D522 IonicContact NZ-OD1 3.38Å; K443-D522 PolarHBondContact NZ-OD1 2.81Å; E520-D522 WeakPolarHBondContact CB-OD1 3.21Å; E520-D522 PolarHBondContact O-N 3.47Å
523	S	89.9	Confident	84.2	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.042	28%	0.276	C	S	.	.			trans	-76.9	136.4	-177.4	-56.1	0	0	0	0	112.2	K443 M503 E520 E521 V525	K443-S523 PolarHBondContact NZ-OG 3.36Å; M503-S523 VanDerWaalsContact O-CB 3.32Å; M503-S523 WeakPolarHBondContact O-CB 3.03Å; E520-S523 PolarHBondContact N-OG 3.26Å; E520-S523 WeakPolarHBondContact O-CB 3.26Å; E520-S523 PolarHBondContact O-N 2.77Å; E520-S523 PolarHBondContact O-OG 2.79Å; E521-S523 VanDerWaalsContact C-N 3.26Å; E521-S523 PolarHBondContact O-N 3.2Å; S523-V525 PolarHBondContact O-N 2.82Å
524	Y	92.5	Very high	86.1	Confident	6 Å²	6	58.8 Å²	58.8	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.6	171.6	-178.1	-83.9	0	0	0	110.6	V430 R436 I501 M503 V526 E532	V430-Y524 HydrophobicContact CG1-CD2 4.21Å; V430-Y524 WeakPolarHBondContact O-CD2 3.42Å; R436-Y524 HydrophobicContact CB-CD2 4.2Å; R436-Y524 HydrophobicContact CB-CE2 3.84Å; R436-Y524 HydrophobicContact CG-CD2 4.49Å; R436-Y524 HydrophobicContact CG-CE1 4.24Å; R436-Y524 HydrophobicContact CG-CE2 4.05Å; R436-Y524 PolarHBondContact NE-OH 2.83Å; R436-Y524 PolarHBondContact NH2-OH 3.23Å; R436-Y524 VanDerWaalsContact NH2-OH 3.08Å; I501-Y524 HydrophobicContact CG2-CD1 4.49Å; I501-Y524 HydrophobicContact CG2-CE1 4.26Å; M503-Y524 HydrophobicContact CE-CD1 3.64Å; M503-Y524 HydrophobicContact CE-CE1 3.97Å; M503-Y524 HydrophobicContact CE-CG 4.31Å; M503-Y524 HydrophobicContact CG-CD1 3.93Å; M503-Y524 HydrophobicContact CG-CG 4.37Å; M503-Y524 PolarHBondContact N-O 2.79Å; M503-Y524 HydrophobicContact SD-CD1 3.79Å; M503-Y524 HydrophobicContact SD-CG 3.98Å; Y524-V526 HydrophobicContact CE1-CB 4.47Å; Y524-V526 HydrophobicContact CE1-CG1 3.99Å; Y524-V526 HydrophobicContact CE1-CG2 3.72Å; Y524-V526 HydrophobicContact CE2-CG1 4.31Å; Y524-E532 PolarHBondContact OH-OE2 2.79Å
525	V	93.1	Very high	87.7	Confident	21 Å²	21	58.5 Å²	58.5	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.3	179.1	-170.7	0	0	0	0	110.4	P492 L494 Y500 I501 L502 L519 S523	P492-V525 HydrophobicContact CG-CG2 4.33Å; L494-V525 HydrophobicContact CD2-CG1 3.86Å; Y500-V525 HydrophobicContact CD1-CG1 4.14Å; I501-V525 WeakPolarHBondContact O-CA 3.35Å; L502-V525 HydrophobicContact CD2-CG1 3.72Å; L502-V525 HydrophobicContact CD2-CG2 4.11Å; L519-V525 HydrophobicContact CD1-CG2 3.86Å; L519-V525 HydrophobicContact CD2-CG2 4.31Å; L519-V525 HydrophobicContact CG-CG2 4.27Å; S523-V525 PolarHBondContact O-N 2.82Å
526	V	92.9	Very high	88.7	Confident	23 Å²	23	57.4 Å²	57.4	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.1	174.6	-63.4	0	0	0	0	111.4	Y500 I501 Y524 Y528 E532	Y500-V526 CarbonylContact C-O 3.53Å; Y500-V526 VanDerWaalsContact CA-O 3.29Å; Y500-V526 WeakPolarHBondContact CA-O 3.32Å; I501-V526 HydrophobicContact CB-CG2 3.84Å; I501-V526 HydrophobicContact CG1-CG2 4.2Å; I501-V526 PolarHBondContact N-O 2.74Å; I501-V526 PolarHBondContact O-N 3.15Å; I501-V526 VanDerWaalsContact O-N 3.14Å; Y524-V526 HydrophobicContact CE1-CB 4.47Å; Y524-V526 HydrophobicContact CE1-CG1 3.99Å; Y524-V526 HydrophobicContact CE1-CG2 3.72Å; Y524-V526 HydrophobicContact CE2-CG1 4.31Å; V526-Y528 PolarHBondContact O-N 3.22Å; V526-E532 HydrophobicContact CG2-CG 4.4Å
527	P	94.1	Very high	88.8	Confident	74 Å²	74	63.9 Å²	63.9	48%	0.481	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.1	168.1	-22	33.5	0	0	0	110.6	Y500	Y500-P527 HydrophobicContact CD1-CG 4.36Å; Y500-P527 HydrophobicContact CE1-CG 4.1Å
528	Y	93.4	Very high	88.6	Confident	51 Å²	51	67 Å²	67	20%	0.2	32%	0.318	C	S	.	.			trans	-68.4	140.2	-176.6	169.3	-109.6	0	0	0	112.4	R448 Q499 I501 V526 D533	R448-Y528 HydrophobicContact CG-CD2 4.19Å; R448-Y528 HydrophobicContact CG-CG 4.13Å; R448-Y528 PolarHBondContact NH1-OH 2.97Å; Q499-Y528 HydrophobicContact CB-CD1 4.25Å; Q499-Y528 HydrophobicContact CB-CG 4.46Å; Q499-Y528 PolarHBondContact O-N 2.99Å; I501-Y528 HydrophobicContact CD1-CD2 3.93Å; I501-Y528 HydrophobicContact CG1-CD2 4.36Å; V526-Y528 PolarHBondContact O-N 3.22Å; Y528-D533 PolarHBondContact OH-OD2 2.99Å; Y528-D533 VanDerWaalsContact OH-OD2 3.13Å
529	R	89.5	Confident	88.4	Confident	185 Å²	185	67 Å²	67	70%	0.698	32%	0.318	S	S	*	.			trans	-142.7	148.9	167.9	-64.5	179.2	174	177.2	-5.4	107.6	R531 E532	R529-R531 PolarHBondContact O-N 3.4Å; R529-R531 VanDerWaalsContact O-N 3.08Å; R529-E532 WeakPolarHBondContact O-CB 3.41Å; R529-E532 PolarHBondContact O-N 3.26Å
530	P	85.5	Confident	87.8	Confident	95 Å²	95	71.3 Å²	71.3	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-37.1	-178.6	-29.4	36	0	0	0	114.5	E532 D533	P530-E532 PolarHBondContact O-N 3.09Å; P530-E532 VanDerWaalsContact O-N 3.14Å; P530-D533 WeakPolarHBondContact O-CB 3.49Å; P530-D533 PolarHBondContact O-N 3.05Å
531	R	88.1	Confident	87.3	Confident	175 Å²	175	78.5 Å²	78.5	66%	0.66	36%	0.363	S	S	*	.	H	α-helix	trans	-57.9	-24.6	175.9	-168.1	177.1	-176.8	-171.1	0.8	114.2	R529 D533 E534 L535	R529-R531 PolarHBondContact O-N 3.4Å; R529-R531 VanDerWaalsContact O-N 3.08Å; R531-D533 VanDerWaalsContact C-N 3.28Å; R531-D533 PolarHBondContact O-N 2.81Å; R531-E534 PolarHBondContact O-N 3.19Å; R531-L535 HydrophobicContact CG-CD1 4.15Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.29Å; R531-L535 PolarHBondContact O-N 2.66Å
532	E	88.9	Confident	87.3	Confident	27 Å²	27	76.2 Å²	76.2	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-28.6	175.9	-65.4	-64.2	121.7	0	0	111.7	R436 I501 Y524 V526 R529 P530 E534 L535 L536	R436-E532 IonicContact CZ-OE2 2.68Å; R436-E532 IonicContact NE-OE2 3.04Å; R436-E532 IonicContact NH2-OE1 2.68Å; R436-E532 PolarHBondContact NH2-OE1 3.15Å; R436-E532 IonicContact NH2-OE2 3.46Å; R436-E532 PolarHBondContact NH2-OE2 3.3Å; I501-E532 HydrophobicContact CG1-CB 4.08Å; I501-E532 HydrophobicContact CG1-CG 4.46Å; Y524-E532 PolarHBondContact OH-OE2 2.79Å; V526-E532 HydrophobicContact CG2-CG 4.4Å; R529-E532 WeakPolarHBondContact O-CB 3.41Å; R529-E532 PolarHBondContact O-N 3.26Å; P530-E532 PolarHBondContact O-N 3.09Å; P530-E532 VanDerWaalsContact O-N 3.14Å; E532-E534 VanDerWaalsContact C-N 3.35Å; E532-E534 PolarHBondContact O-N 2.88Å; E532-L535 PolarHBondContact O-N 3.02Å; E532-L535 VanDerWaalsContact O-N 3.17Å; E532-L535 WeakPolarHBondContact OE1-CD1 3.45Å; E532-L536 WeakPolarHBondContact O-CB 3.03Å; E532-L536 WeakPolarHBondContact O-CD1 3.3Å; E532-L536 WeakPolarHBondContact O-CG 3.43Å; E532-L536 PolarHBondContact O-N 2.91Å
533	D	82.9	Confident	87	Confident	39 Å²	39	73.5 Å²	73.5	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-41.5	175.6	-66	-24.8	0	0	0	111.3	Y471 Y528 P530 R531 L535 L536 R537	Y471-D533 VanDerWaalsContact CE1-OD1 3.23Å; Y471-D533 WeakPolarHBondContact CE1-OD1 3.29Å; Y471-D533 VanDerWaalsContact CZ-OD1 3.27Å; Y471-D533 PolarHBondContact OH-OD1 2.93Å; Y528-D533 PolarHBondContact OH-OD2 2.99Å; Y528-D533 VanDerWaalsContact OH-OD2 3.13Å; P530-D533 WeakPolarHBondContact O-CB 3.49Å; P530-D533 PolarHBondContact O-N 3.05Å; R531-D533 VanDerWaalsContact C-N 3.28Å; R531-D533 PolarHBondContact O-N 2.81Å; D533-L535 VanDerWaalsContact C-N 3.29Å; D533-L535 PolarHBondContact O-N 2.61Å; D533-L536 PolarHBondContact O-N 2.04Å; D533-R537 WeakPolarHBondContact O-CB 3.27Å; D533-R537 PolarHBondContact O-N 3.07Å
534	E	86.5	Confident	85.6	Confident	126 Å²	126	77.1 Å²	77.1	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-63.2	-36.1	174.5	-54.8	175.8	154.3	0	0	111.9	R531 E532 P538	R531-E534 PolarHBondContact O-N 3.19Å; E532-E534 VanDerWaalsContact C-N 3.35Å; E532-E534 PolarHBondContact O-N 2.88Å; E534-P538 WeakPolarHBondContact O-CD 3.24Å
535	L	89.5	Confident	83.6	Confident	61 Å²	61	83.8 Å²	83.8	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-80.5	-17.5	-178.5	-66.8	168.8	0	0	0	113.3	R531 E532 D533	R531-L535 HydrophobicContact CG-CD1 4.15Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.29Å; R531-L535 PolarHBondContact O-N 2.66Å; E532-L535 PolarHBondContact O-N 3.02Å; E532-L535 VanDerWaalsContact O-N 3.17Å; E532-L535 WeakPolarHBondContact OE1-CD1 3.45Å; D533-L535 VanDerWaalsContact C-N 3.29Å; D533-L535 PolarHBondContact O-N 2.61Å
536	L	88.9	Confident	81.4	Confident	0 Å²	0	92.5 Å²	92.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-96.6	-32	177.2	-66	167.4	0	0	0	112.5	R436 Y440 Y471 I501 M503 E532 D533 L539 Q540	R436-L536 HydrophobicContact CG-CD2 4.48Å; Y440-L536 HydrophobicContact CD2-CD2 3.71Å; Y440-L536 HydrophobicContact CE2-CB 4.25Å; Y440-L536 HydrophobicContact CE2-CD2 3.95Å; Y471-L536 HydrophobicContact CD1-CB 3.96Å; Y471-L536 HydrophobicContact CD1-CD1 3.87Å; Y471-L536 HydrophobicContact CD2-CD1 4.04Å; Y471-L536 HydrophobicContact CE1-CB 4.3Å; Y471-L536 HydrophobicContact CE1-CD1 3.68Å; Y471-L536 HydrophobicContact CE2-CD1 3.88Å; Y471-L536 HydrophobicContact CG-CB 4.48Å; Y471-L536 HydrophobicContact CG-CD1 4.05Å; I501-L536 HydrophobicContact CD1-CD1 3.93Å; I501-L536 HydrophobicContact CG1-CD1 4.31Å; I501-L536 HydrophobicContact CG2-CD1 4.04Å; M503-L536 HydrophobicContact CE-CD2 3.42Å; M503-L536 VanDerWaalsContact CE-CD2 3.42Å; E532-L536 WeakPolarHBondContact O-CB 3.03Å; E532-L536 WeakPolarHBondContact O-CD1 3.3Å; E532-L536 WeakPolarHBondContact O-CG 3.43Å; E532-L536 PolarHBondContact O-N 2.91Å; D533-L536 PolarHBondContact O-N 2.04Å; L536-L539 HydrophobicContact CD2-CD1 4.38Å; L536-L539 WeakPolarHBondContact O-CB 3.06Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-Q540 PolarHBondContact O-N 2.99Å
537	R	84.3	Confident	78.7	Confident	171 Å²	171	94.4 Å²	94.4	65%	0.645	46%	0.457	S	S	*	.	H	α-helix	trans	-54.4	-40.6	-177.8	-171.8	-176.3	-62.6	178.2	0.9	114.6	D533 Q540	D533-R537 WeakPolarHBondContact O-CB 3.27Å; D533-R537 PolarHBondContact O-N 3.07Å; R537-Q540 WeakPolarHBondContact O-CB 3.39Å
538	P	85.1	Confident	75.9	Confident	71 Å²	71	100.4 Å²	100.4	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-68.2	-34.6	174.7	-21.2	33.8	0	0	0	113.1	E534 Q540 R541 L542	E534-P538 WeakPolarHBondContact O-CD 3.24Å; P538-Q540 VanDerWaalsContact C-N 3.25Å; P538-Q540 PolarHBondContact O-N 3.47Å; P538-R541 PolarHBondContact O-N 3.46Å; P538-L542 WeakPolarHBondContact O-CG 3.2Å; P538-L542 PolarHBondContact O-N 3.26Å
539	L	86.2	Confident	73	Confident	14 Å²	14	105 Å²	105	7%	0.073	50%	0.502	C	S	.	.	H	α-helix	trans	-66.5	-29.6	-178.8	-55.8	-179	0	0	0	111.7	R436 Q437 Y440 L536 R541 L542 C543	R436-L539 HydrophobicContact CG-CD1 3.97Å; Q437-L539 HydrophobicContact CB-CD2 3.83Å; Q437-L539 HydrophobicContact CG-CD2 3.89Å; Y440-L539 HydrophobicContact CD1-CB 3.81Å; Y440-L539 HydrophobicContact CD2-CB 3.94Å; Y440-L539 HydrophobicContact CD2-CD1 4.05Å; Y440-L539 HydrophobicContact CE1-CB 3.98Å; Y440-L539 WeakPolarHBondContact CE1-O 3.26Å; Y440-L539 HydrophobicContact CE2-CB 4.11Å; Y440-L539 HydrophobicContact CG-CB 3.81Å; Y440-L539 HydrophobicContact CG-CD1 4.12Å; L536-L539 HydrophobicContact CD2-CD1 4.38Å; L536-L539 WeakPolarHBondContact O-CB 3.06Å; L536-L539 PolarHBondContact O-N 3.42Å; L539-R541 VanDerWaalsContact C-N 3.32Å; L539-R541 PolarHBondContact O-N 3.26Å; L539-L542 HydrophobicContact CD2-CD1 4.33Å; L539-L542 PolarHBondContact O-N 2.84Å; L539-C543 VanDerWaalsContact O-CB 3.27Å; L539-C543 WeakPolarHBondContact O-CB 3.42Å; L539-C543 PolarHBondContact O-N 3.02Å
540	Q	78.7	Confident	70.5	Confident	94 Å²	94	100 Å²	100	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-58.3	-41.8	174.8	-162.9	179.6	14.6	0	0	112.6	Y440 Y471 L536 R537 P538 S544	Y440-Q540 VanDerWaalsContact OH-CA 3.25Å; Y440-Q540 WeakPolarHBondContact OH-CA 3.29Å; Y440-Q540 VanDerWaalsContact OH-CB 3.25Å; Y440-Q540 WeakPolarHBondContact OH-CB 3.44Å; Y440-Q540 PolarHBondContact OH-N 2.81Å; Y471-Q540 PolarHBondContact O-NE2 2.93Å; L536-Q540 PolarHBondContact O-N 2.99Å; R537-Q540 WeakPolarHBondContact O-CB 3.39Å; P538-Q540 VanDerWaalsContact C-N 3.25Å; P538-Q540 PolarHBondContact O-N 3.47Å; Q540-S544 VanDerWaalsContact O-CB 3.3Å; Q540-S544 WeakPolarHBondContact O-CB 3.31Å; Q540-S544 PolarHBondContact O-N 2.79Å; Q540-S544 PolarHBondContact O-OG 2.86Å
541	R	76.4	Confident	68	Low	202 Å²	202	101.7 Å²	101.7	76%	0.762	51%	0.507	S	S	*	.	H	α-helix	trans	-73.1	-46.2	177	-64.1	-178	178.9	178.4	-2.2	111	P538 L539 C543 S544	P538-R541 PolarHBondContact O-N 3.46Å; L539-R541 VanDerWaalsContact C-N 3.32Å; L539-R541 PolarHBondContact O-N 3.26Å; R541-C543 PolarHBondContact O-N 2.91Å; R541-S544 PolarHBondContact O-N 2.85Å
542	L	82	Confident	65.6	Low	96 Å²	96	97.6 Å²	97.6	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-63.8	-38.8	-178.5	-67.9	166.9	0	0	0	113.4	P538 L539	P538-L542 WeakPolarHBondContact O-CG 3.2Å; P538-L542 PolarHBondContact O-N 3.26Å; L539-L542 HydrophobicContact CD2-CD1 4.33Å; L539-L542 PolarHBondContact O-N 2.84Å
543	C	78.3	Confident	63.1	Low	7 Å²	7	102 Å²	102	5%	0.047	53%	0.531	C	S	.	.	H	α-helix	trans	-92.9	-3.8	-177.3	-66.7	0	0	0	0	114.5	Y440 C441 L539 R541	Y440-C543 HydrophobicContact CD1-CB 3.78Å; Y440-C543 HydrophobicContact CE1-CB 4.04Å; C441-C543 WeakPolarHBondContact CA-SG 3.47Å; C441-C543 HydrophobicContact CB-CB 4.05Å; C441-C543 WeakPolarHBondContact CB-SG 3.43Å; C441-C543 VanDerWaalsContact SG-CA 3.57Å; C441-C543 WeakPolarHBondContact SG-CB 3.18Å; C441-C543 CovalentContact SG-SG 2.04Å; C441-C543 PolarHBondContact SG-SG 3.31Å; L539-C543 VanDerWaalsContact O-CB 3.27Å; L539-C543 WeakPolarHBondContact O-CB 3.42Å; L539-C543 PolarHBondContact O-N 3.02Å; R541-C543 PolarHBondContact O-N 2.91Å
544	S	62	Low	61.2	Low	82 Å²	82	106.8 Å²	106.8	57%	0.573	56%	0.555	S	S	*	*	H	α-helix	trans	-84	-32.8	171.7	-69.8	0	0	0	0	112.6	Q540 R541 R546	Q540-S544 VanDerWaalsContact O-CB 3.3Å; Q540-S544 WeakPolarHBondContact O-CB 3.31Å; Q540-S544 PolarHBondContact O-N 2.79Å; Q540-S544 PolarHBondContact O-OG 2.86Å; R541-S544 PolarHBondContact O-N 2.85Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.02Å
545	N	49.2	Very low	58.9	Low	146 Å²	146	108.6 Å²	108.6	78%	0.781	57%	0.569	S	S	*	*	S	Bend	trans	-85.3	0.3	-173.1	-67.4	12.4	0	0	0	114.3
546	R	46.4	Very low	56.5	Low	204 Å²	204	114.9 Å²	114.9	77%	0.77	60%	0.597	S	S	*	*			trans	-106.6	90.5	175.7	-71.2	-168.9	177.5	-157.5	-1.6	110.9	S544	S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.02Å
547	G	36.5	Very low	53.8	Low	63 Å²	63	118.9 Å²	118.9	65%	0.649	63%	0.629	S	S	*	*			trans	-58.4	168.4	150.3	0	0	0	0	0	110.8	K549	G547-K549 PolarHBondContact O-N 3.37Å; G547-K549 VanDerWaalsContact O-N 3.1Å
548	M	34.8	Very low	51.7	Low	200 Å²	200	121.3 Å²	121.3	99%	0.985	66%	0.663	S	S	*	*			trans	-60.1	115.5	-172.9	-70.2	170.6	62.7	0	0	112.2
549	K	34.1	Very low	50.1	Low	146 Å²	146	123.9 Å²	123.9	64%	0.635	67%	0.673	S	S	*	*			trans	-105.6	149.4	154.9	-76.1	-149.6	172	-162.8	0	109.7	G547 E553	G547-K549 PolarHBondContact O-N 3.37Å; G547-K549 VanDerWaalsContact O-N 3.1Å; K549-E553 WeakPolarHBondContact CD-OE2 3.4Å; K549-E553 WeakPolarHBondContact CE-OE2 3.4Å; K549-E553 IonicContact NZ-OE1 2.62Å; K549-E553 PolarHBondContact NZ-OE1 3.05Å; K549-E553 IonicContact NZ-OE2 3.19Å; K549-E553 PolarHBondContact NZ-OE2 3.09Å
550	S	35.3	Very low	48.2	Very low	82 Å²	82	129.6 Å²	129.6	57%	0.573	71%	0.705	S	S	*	*			trans	-74.1	168.9	-178.8	52.4	0	0	0	0	112	A552	S550-A552 PolarHBondContact O-N 3.49Å
551	P	34.5	Very low	46.5	Very low	130 Å²	130	131.6 Å²	131.6	84%	0.844	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	10.2	-176.2	-22.3	35.3	0	0	0	117
552	A	37	Very low	44.7	Very low	89 Å²	89	127.5 Å²	127.5	74%	0.736	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-11.3	-170.4	0	0	0	0	0	115.1	S550	S550-A552 PolarHBondContact O-N 3.49Å
553	E	37.5	Very low	42.4	Very low	118 Å²	118	129.4 Å²	129.4	55%	0.551	73%	0.73	S	S	*	*			trans	-111.5	72.7	-179.4	-69.4	-177.6	-151.1	0	0	111.8	K549	K549-E553 WeakPolarHBondContact CD-OE2 3.4Å; K549-E553 WeakPolarHBondContact CE-OE2 3.4Å; K549-E553 IonicContact NZ-OE1 2.62Å; K549-E553 PolarHBondContact NZ-OE1 3.05Å; K549-E553 IonicContact NZ-OE2 3.19Å; K549-E553 PolarHBondContact NZ-OE2 3.09Å
554	I	42.7	Very low	40	Very low	140 Å²	140	137.6 Å²	137.6	72%	0.718	78%	0.776	S	S	*	*	S	Bend	trans	-125.2	-22	173.4	-69.6	-177.2	0	0	0	113.1
555	D	38	Very low	38.4	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	79%	0.79	S	S	*	*	S	Bend	trans	-89.9	-11.1	-176.6	-73.2	-25.7	0	0	0	115.5
556	E	39.4	Very low	37.6	Very low	194 Å²	194	141.2 Å²	141.2	91%	0.907	79%	0.791	S	S	*	*	S	Bend	trans	-119.2	74.6	174.7	-69.8	-158.5	154.2	0	0	113.2
557	A	32.4	Very low	36.9	Very low	83 Å²	83	136 Å²	136	69%	0.686	79%	0.793	S	S	*	*			trans	-161	82.8	158.6	0	0	0	0	0	110.6
558	V	40.1	Very low	36.9	Very low	223 Å²	223	142.6 Å²	142.6	100%	1.352	81%	0.806	S	S	*	*			trans	-22.7	0	177.4	-171.5	0	0	0	0	115.9

Retrieved 558 of 558 residues in 226.9 ms (Link to these results)

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