A0A060WWU5_ONCMY Loading...

ADAM metallopeptidase domain 23

AlphaFold DB , UniProt , Accession A0A060WWU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ADAM23, Length 785 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	33.2	Very low	31.2	Very low	223 Å²	223	150 Å²	150	100%	1.099	79%	0.787	S	S	*	*				0	87.6	0	-90.1	163.6	61.8	0	0	106.9
2	H	27	Very low	30.9	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.745	77%	0.773	S	S	*	*				87.9	102.9	94.5	-80.9	-42.1	0	0	0	109.3
3	L	31.1	Very low	30.7	Very low	136 Å²	136	145.4 Å²	145.4	71%	0.712	77%	0.773	S	S	*	*				77.5	127.4	97.3	-107.7	114.5	0	0	0	107.7
4	I	36.9	Very low	30.4	Very low	115 Å²	115	146.7 Å²	146.7	59%	0.59	78%	0.779	S	S	*	*			cis	-171.1	132	44.7	-56.4	-164.8	0	0	0	104.9
5	F	33	Very low	30.1	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.864	77%	0.768	S	S	*	*				-174.6	120.9	90.7	-97.6	-88.4	0	0	0	104.9
6	L	36.2	Very low	29.8	Very low	151 Å²	151	139.1 Å²	139.1	79%	0.791	76%	0.762	S	S	*	*			cis	55.8	97.8	47.9	-93.1	164.9	0	0	0	114.8
7	A	32.1	Very low	29.5	Very low	81 Å²	81	144.5 Å²	144.5	67%	0.669	77%	0.769	S	S	*	*				-170.9	134.5	103.7	0	0	0	0	0	113.4
8	N	29.9	Very low	29.2	Very low	145 Å²	145	145 Å²	145	78%	0.775	77%	0.771	S	S	*	*			trans	80.2	126.8	158.1	-56.2	-25.2	0	0	0	120.1
9	L	27.1	Very low	29	Very low	156 Å²	156	146.8 Å²	146.8	82%	0.817	77%	0.774	S	S	*	*			cis	-169	137.1	-26.1	-149.3	93.7	0	0	0	105.1
10	L	28	Very low	29.7	Very low	164 Å²	164	144.8 Å²	144.8	86%	0.859	77%	0.77	S	S	*	*			trans	-130.1	123.9	176.3	-126.9	166.1	0	0	0	107
11	V	28.6	Very low	29.6	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	77%	0.77	S	S	*	*			trans	-152.1	100.9	159.4	177.7	0	0	0	0	106.2
12	S	27.3	Very low	29.2	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	76%	0.758	S	S	*	*				75.7	104.9	98.1	-51.5	0	0	0	0	114.6
13	I	29.1	Very low	29.1	Very low	151 Å²	151	137.1 Å²	137.1	77%	0.774	76%	0.758	S	S	*	*				68.5	124.3	95.4	-55.1	165.6	0	0	0	115
14	L	26	Very low	29	Very low	164 Å²	164	135 Å²	135	86%	0.859	76%	0.761	S	S	*	*			trans	130.7	144.8	141	-73.2	167.1	0	0	0	111.5
15	A	25.7	Very low	28.4	Very low	73 Å²	73	137.6 Å²	137.6	60%	0.603	77%	0.774	S	S	*	*			cis	-173.3	154.4	-32.9	0	0	0	0	0	105.4
16	S	25.6	Very low	28.1	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	77%	0.769	S	S	*	*			trans	76.6	125.5	147.8	-23.2	0	0	0	0	122.1
17	W	24.1	Very low	27.5	Very low	231 Å²	231	130.7 Å²	130.7	88%	0.875	76%	0.757	S	S	*	*				86.7	135.6	128.1	-76.6	36.3	0	0	0	121.7
18	L	24.5	Very low	27.1	Very low	154 Å²	154	136 Å²	136	81%	0.806	77%	0.769	S	S	*	*			trans	91.1	113.1	152.2	-66.4	151.3	0	0	0	120.1
19	H	25.4	Very low	26.8	Very low	180 Å²	180	133.1 Å²	133.1	83%	0.833	77%	0.773	S	S	*	*			trans	-47.4	177	141.4	-90.8	-26.5	0	0	0	112.3
20	P	44.1	Very low	26.6	Very low	106 Å²	106	129.7 Å²	129.7	69%	0.688	78%	0.775	S	S	*	*			cis	-139.5	175.9	-2.4	20.4	7	0	0	0	115.6
21	S	25.8	Very low	26.6	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	78%	0.776	S	S	*	*			trans	49.6	151.3	136.6	-54.1	0	0	0	0	125.3
22	I	25.8	Very low	26.4	Very low	167 Å²	167	133.2 Å²	133.2	86%	0.856	79%	0.785	S	S	*	*			trans	110.9	108.7	147.5	-55.7	164.7	0	0	0	114.6
23	A	25.1	Very low	26.4	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	80%	0.795	S	S	*	*				173.7	120.2	104.9	0	0	0	0	0	111
24	A	28.2	Very low	26.2	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	79%	0.794	S	S	*	*			trans	-75.8	150.2	164.8	0	0	0	0	0	110.8
25	I	25.4	Very low	26.1	Very low	169 Å²	169	135 Å²	135	87%	0.867	79%	0.793	S	S	*	*			trans	-135.7	127.3	153.8	-64.5	-176.5	0	0	0	109.8
26	V	25.1	Very low	26.3	Very low	125 Å²	125	139.5 Å²	139.5	76%	0.758	80%	0.801	S	S	*	*			trans	-76.5	148	176.7	174.9	0	0	0	0	108.3
27	S	23.7	Very low	26.5	Very low	79 Å²	79	145.2 Å²	145.2	55%	0.552	81%	0.808	S	S	*	*				168.1	149.7	70.2	-153.2	0	0	0	0	110.8
28	Q	24.8	Very low	26.7	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	81%	0.809	S	S	*	*			trans	39.9	138.2	134.9	-64.7	170.3	-11	0	0	119.8
29	G	23.2	Very low	26.9	Very low	84 Å²	84	139.5 Å²	139.5	87%	0.866	81%	0.809	S	S	*	*			cis	149.4	151.3	18.8	0	0	0	0	0	107
30	G	23.1	Very low	27.1	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	81%	0.813	S	S	*	*			trans	161.8	107.4	172.8	0	0	0	0	0	114.5
31	E	26.9	Very low	26.5	Very low	186 Å²	186	138 Å²	138	87%	0.869	81%	0.814	S	S	*	*			trans	-71	146.7	171.5	-68.5	164.2	128.9	0	0	112.2
32	N	25.4	Very low	26.6	Very low	172 Å²	172	140.3 Å²	140.3	92%	0.92	82%	0.817	S	S	*	*				-170.3	146.9	129.8	-96.1	-20.5	0	0	0	112.4
33	E	26.4	Very low	26.7	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	82%	0.821	S	S	*	*			trans	-80	153.2	-167.2	-108.9	178.1	156.7	0	0	115.9
34	V	25.7	Very low	27	Very low	125 Å²	125	142 Å²	142	76%	0.758	82%	0.824	S	S	*	*			trans	71.6	111.8	151.7	-176.2	0	0	0	0	118.4
35	V	24.9	Very low	27	Very low	136 Å²	136	145.9 Å²	145.9	82%	0.824	83%	0.826	S	S	*	*				-166.3	127.8	111.8	158.5	0	0	0	0	108.5
36	E	29.8	Very low	27.2	Very low	167 Å²	167	149.4 Å²	149.4	78%	0.78	83%	0.828	S	S	*	*			trans	-86.7	149.4	178.2	-168.7	179.1	-172.1	0	0	110.8
37	R	29.3	Very low	27.4	Very low	218 Å²	218	153 Å²	153	82%	0.823	84%	0.837	S	S	*	*			trans	95.7	134.6	175.7	-57.6	177.5	-160.1	148.4	9.3	115.5
38	D	28.8	Very low	27.8	Very low	168 Å²	168	153.8 Å²	153.8	90%	0.898	85%	0.848	S	S	*	*			trans	87.1	64.9	175.8	-54	-22.4	0	0	0	117.6
39	A	27.4	Very low	28	Very low	98 Å²	98	151.5 Å²	151.5	81%	0.81	85%	0.848	S	S	*	*			trans	-138.5	29.8	164.6	0	0	0	0	0	114.5
40	V	30.6	Very low	28.2	Very low	151 Å²	151	152.6 Å²	152.6	92%	0.915	85%	0.848	S	S	*	*	S	Bend	trans	-99.2	-5.4	174.5	178.1	0	0	0	0	112.8
41	S	30.2	Very low	28.4	Very low	103 Å²	103	153.4 Å²	153.4	72%	0.72	85%	0.847	S	S	*	*	S	Bend	trans	-109.7	7.2	-170.3	-166.3	0	0	0	0	116.7
42	L	28.9	Very low	28.5	Very low	158 Å²	158	149.7 Å²	149.7	83%	0.827	85%	0.848	S	S	*	*	S	Bend	trans	-124.6	14.5	-171.7	-73	173.7	0	0	0	116.2
43	L	27.8	Very low	28.6	Very low	178 Å²	178	146.2 Å²	146.2	93%	0.932	84%	0.843	S	S	*	*	S	Bend	trans	-109.4	4.6	170.4	-79.5	163.1	0	0	0	113.9
44	S	30.6	Very low	29.1	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	85%	0.847	S	S	*	*	S	Bend	trans	-95.7	-2.1	178.9	-168.1	0	0	0	0	114.7
45	E	30	Very low	29.1	Very low	173 Å²	173	142 Å²	142	81%	0.808	84%	0.843	S	S	*	*	S	Bend	trans	-125.9	63	-178	-77.4	-170.4	138.3	0	0	111.7
46	R	28.8	Very low	29.6	Very low	243 Å²	243	143.6 Å²	143.6	92%	0.917	85%	0.847	S	S	*	*	S	Bend	trans	-157.2	47.7	163.9	-119.6	174.8	-166.4	-169.1	4.2	113.9
47	E	29.6	Very low	29.5	Very low	201 Å²	201	141.3 Å²	141.3	94%	0.939	85%	0.845	S	S	*	*	S	Bend	trans	-159	59.5	164.4	-114.3	168.4	-159.8	0	0	110.5
48	A	31.6	Very low	29.8	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	84%	0.838	S	S	*	*			trans	-143.6	60.8	175.7	0	0	0	0	0	111.8
49	T	29.7	Very low	30.3	Very low	145 Å²	145	135.8 Å²	135.8	89%	0.89	83%	0.833	S	S	*	*			trans	-159	98.8	159.1	45.5	0	0	0	0	111.2
50	A	27.3	Very low	31.2	Very low	107 Å²	107	139.9 Å²	139.9	88%	0.884	83%	0.828	S	S	*	*			trans	-150.3	133.8	151.7	0	0	0	0	0	109.4
51	A	26.4	Very low	32.1	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	82%	0.816	S	S	*	*			trans	-70.9	154.9	-160.4	0	0	0	0	0	115.4	A53	A51-A53 PolarHBondContact O-N 3.49Å
52	A	29.1	Very low	33.4	Very low	108 Å²	108	133.4 Å²	133.4	89%	0.893	80%	0.796	S	S	*	*			trans	-62.5	122.5	173.5	0	0	0	0	0	111.9
53	A	27.7	Very low	35.6	Very low	99 Å²	99	130.4 Å²	130.4	82%	0.818	78%	0.778	S	S	*	*			trans	-109.3	113.9	164.8	0	0	0	0	0	108.8	A51 G55	A51-A53 PolarHBondContact O-N 3.49Å; A53-G55 PolarHBondContact O-N 2.97Å
54	T	36.2	Very low	38.3	Very low	152 Å²	152	126.7 Å²	126.7	93%	0.933	76%	0.756	S	S	*	*			trans	-69.2	111.8	170.7	44.4	0	0	0	0	109.9
55	G	26.5	Very low	41.2	Very low	65 Å²	65	123.5 Å²	123.5	67%	0.67	73%	0.731	S	S	*	*			trans	-152.4	110.7	172	0	0	0	0	0	109.7	A53 T57	A53-G55 PolarHBondContact O-N 2.97Å; G55-T57 PolarHBondContact O-N 3.13Å; G55-T57 VanDerWaalsContact O-N 3.17Å
56	N	35.3	Very low	44.1	Very low	171 Å²	171	118.5 Å²	118.5	91%	0.914	71%	0.71	S	S	*	*			trans	-83.6	86.9	-173.1	-157.3	13.3	0	0	0	110.4
57	T	28.5	Very low	47.1	Very low	119 Å²	119	107.1 Å²	107.1	73%	0.73	67%	0.667	S	S	*	*			trans	-146.2	100.6	163.9	34.6	0	0	0	0	108.8	G55 H59	G55-T57 PolarHBondContact O-N 3.13Å; G55-T57 VanDerWaalsContact O-N 3.17Å; T57-H59 VanDerWaalsContact C-N 3.34Å; T57-H59 PolarHBondContact O-N 2.89Å
58	S	35.8	Very low	50	Low	96 Å²	96	103.7 Å²	103.7	67%	0.671	65%	0.646	S	S	*	*			trans	-74.1	81	179.2	170.2	0	0	0	0	111.6
59	H	38.1	Very low	52.8	Low	174 Å²	174	99.2 Å²	99.2	81%	0.806	61%	0.609	S	S	*	*			trans	-87.7	100.5	149.8	-76.1	-76.4	0	0	0	107.4	T57 A61	T57-H59 VanDerWaalsContact C-N 3.34Å; T57-H59 PolarHBondContact O-N 2.89Å; H59-A61 PolarHBondContact O-N 2.96Å
60	R	47	Very low	55.6	Low	183 Å²	183	92.9 Å²	92.9	69%	0.691	57%	0.571	S	S	*	*			trans	-66.3	102.2	167.3	-88.3	-178	173.5	172.9	-3.3	107.8
61	A	49.7	Very low	58.3	Low	81 Å²	81	89.6 Å²	89.6	67%	0.669	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-58.5	154	175.8	0	0	0	0	0	110.8	H59 E63	H59-A61 PolarHBondContact O-N 2.96Å; A61-E63 PolarHBondContact O-N 2.85Å
62	A	57.3	Low	60.7	Low	37 Å²	37	85.6 Å²	85.6	31%	0.306	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-60.7	126.7	170.2	0	0	0	0	0	108.1	R209	A62-R209 VanDerWaalsContact CB-NE 3.32Å
63	E	74.9	Confident	62.8	Low	95 Å²	95	82.7 Å²	82.7	44%	0.444	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133	172.8	-64.9	178.2	-160.6	0	0	108.7	A61 F115 R207 R208	A61-E63 PolarHBondContact O-N 2.85Å; E63-F115 HydrophobicContact CB-CD1 4.45Å; E63-F115 HydrophobicContact CB-CE1 3.78Å; E63-R207 WeakPolarHBondContact O-CA 3.39Å; E63-R208 HydrophobicContact CB-CG 4.02Å; E63-R208 PolarHBondContact O-N 2.84Å; E63-R208 IonicContact OE1-NH2 3.59Å; E63-R208 IonicContact OE2-CZ 3.37Å; E63-R208 IonicContact OE2-NE 2.9Å; E63-R208 PolarHBondContact OE2-NE 2.94Å; E63-R208 IonicContact OE2-NH2 3.22Å; E63-R208 PolarHBondContact OE2-NH2 2.8Å
64	H	84.6	Confident	64.5	Low	100 Å²	100	83.6 Å²	83.6	46%	0.463	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.7	-172.1	169	-92.7	0	0	0	109.9	S205 L206	H64-S205 PolarHBondContact CD2-OG 2.98Å; H64-S205 PolarHBondContact NE2-OG 2.96Å; H64-L206 WeakPolarHBondContact CA-O 3.29Å
65	V	91.9	Very high	65.4	Low	48 Å²	48	81.6 Å²	81.6	29%	0.291	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.3	179.5	171.4	0	0	0	0	109.2	A114 F115 L206	V65-A114 HydrophobicContact CG1-CB 4.43Å; V65-F115 HydrophobicContact CB-CE1 4.04Å; V65-F115 HydrophobicContact CB-CZ 4.09Å; V65-F115 HydrophobicContact CG2-CD1 3.69Å; V65-F115 HydrophobicContact CG2-CE1 3.41Å; V65-F115 VanDerWaalsContact CG2-CE1 3.41Å; V65-F115 HydrophobicContact CG2-CG 4.45Å; V65-F115 HydrophobicContact CG2-CZ 3.99Å; V65-L206 PolarHBondContact N-O 2.91Å; V65-L206 PolarHBondContact O-N 3.48Å
66	I	90.8	Very high	66.2	Low	69 Å²	69	85.4 Å²	85.4	35%	0.354	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.7	167.8	-56.2	-53.5	0	0	0	108.4	Y68 L191 P203 H204	I66-Y68 HydrophobicContact CG2-CE2 4.25Å; I66-L191 HydrophobicContact CD1-CD1 3.87Å; I66-L191 HydrophobicContact CG2-CD1 4.24Å; I66-P203 HydrophobicContact CG2-CB 3.91Å; I66-H204 CarbonylContact C-O 3.58Å; I66-H204 WeakPolarHBondContact CA-O 3.25Å
67	T	91.2	Very high	67.3	Low	3 Å²	3	85 Å²	85	2%	0.018	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.6	178.5	-170.4	0	0	0	0	111	P69 E113 H204 L206	T67-P69 WeakPolarHBondContact O-CD 3.23Å; T67-E113 WeakPolarHBondContact CB-O 3.21Å; T67-E113 PolarHBondContact OG1-O 3.03Å; T67-H204 HydrophobicContact CG2-CB 4.13Å; T67-H204 PolarHBondContact N-O 3.13Å; T67-H204 PolarHBondContact O-N 3.25Å; T67-L206 HydrophobicContact CG2-CB 4.07Å
68	Y	90.7	Very high	68.5	Low	130 Å²	130	86.2 Å²	86.2	51%	0.51	43%	0.427	S	S	.	.			trans	-121.9	81.8	-179.1	-66.6	-89.8	0	0	0	108.5	I66 A201 P203	I66-Y68 HydrophobicContact CG2-CE2 4.25Å; Y68-A201 HydrophobicContact CD1-CB 3.78Å; Y68-A201 WeakPolarHBondContact CD1-O 3.35Å; Y68-A201 HydrophobicContact CG-CB 4.36Å; Y68-P203 HydrophobicContact CD1-CB 4.24Å; Y68-P203 HydrophobicContact CE1-CB 3.66Å; Y68-P203 HydrophobicContact CE1-CG 4.4Å
69	P	90.6	Very high	69.7	Low	0 Å²	0	87.8 Å²	87.8	0%	0	43%	0.429	C	S	.	.			trans	-62.6	152.1	-179.7	25.7	-31.1	0	0	0	110.4	T67 L87 Q111 L112 L175 H204	T67-P69 WeakPolarHBondContact O-CD 3.23Å; P69-L87 HydrophobicContact CB-CD2 4.1Å; P69-L87 HydrophobicContact CG-CD1 3.8Å; P69-L87 HydrophobicContact CG-CD2 4.25Å; P69-Q111 CarbonylContact C-O 3.51Å; P69-Q111 VanDerWaalsContact CA-O 3.29Å; P69-Q111 WeakPolarHBondContact CA-O 3.33Å; P69-L112 HydrophobicContact CB-CB 4.07Å; P69-L175 HydrophobicContact CB-CD1 3.6Å; P69-L175 HydrophobicContact CG-CD1 3.93Å; P69-L175 HydrophobicContact CG-CG 4.5Å; P69-H204 VanDerWaalsContact CD-ND1 3.27Å; P69-H204 WeakPolarHBondContact CD-ND1 3.38Å; P69-H204 HydrophobicContact CG-CB 4.39Å; P69-H204 WeakPolarHBondContact CG-ND1 3.46Å
70	S	87.4	Confident	71	Confident	12 Å²	12	81.3 Å²	81.3	8%	0.084	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.9	175.1	-61.5	0	0	0	0	109.2	Y84 H85 F110 Q111	S70-Y84 CarbonylContact C-O 3.53Å; S70-Y84 VanDerWaalsContact CA-O 3.29Å; S70-Y84 WeakPolarHBondContact CA-O 3.48Å; S70-Y84 WeakPolarHBondContact CB-O 3.46Å; S70-H85 PolarHBondContact OG-ND1 3.14Å; S70-F110 CarbonylContact O-C 3.43Å; S70-F110 WeakPolarHBondContact O-CA 3.01Å; S70-Q111 PolarHBondContact N-O 2.74Å; S70-Q111 PolarHBondContact O-N 2.96Å
71	R	84.2	Confident	72.3	Confident	39 Å²	39	76.6 Å²	76.6	15%	0.147	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.1	173.3	-170.6	174.5	63	159.7	5.6	109.3	Y84 D86 D88 S109 F110	R71-Y84 PolarHBondContact N-O 2.8Å; R71-Y84 PolarHBondContact O-N 3.4Å; R71-D86 WeakPolarHBondContact CB-O 3.26Å; R71-D88 VanDerWaalsContact CZ-O 3.28Å; R71-D88 PolarHBondContact NH1-O 2.9Å; R71-S109 CarbonylContact C-O 3.47Å; R71-S109 WeakPolarHBondContact CA-O 3Å; R71-F110 HydrophobicContact CB-CD1 4.01Å; R71-F110 HydrophobicContact CB-CE1 3.84Å; R71-F110 HydrophobicContact CG-CD1 4.31Å; R71-F110 HydrophobicContact CG-CE1 3.95Å; R71-F110 HydrophobicContact CG-CZ 4.37Å
72	L	77.5	Confident	73.4	Confident	16 Å²	16	74.4 Å²	74.4	8%	0.084	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.3	173.5	-63.3	180	0	0	0	109.7	S82 T83 S109 Q111 V120	L72-S82 WeakPolarHBondContact CA-O 3.43Å; L72-T83 HydrophobicContact CD2-CG2 3.78Å; L72-S109 PolarHBondContact N-O 3.42Å; L72-Q111 HydrophobicContact CD1-CB 4.19Å; L72-Q111 HydrophobicContact CD2-CB 3.86Å; L72-Q111 HydrophobicContact CG-CB 4Å; L72-V120 HydrophobicContact CD1-CG1 3.53Å; L72-V120 HydrophobicContact CD1-CG2 4.23Å
73	I	71.9	Confident	74.3	Confident	48 Å²	48	76.1 Å²	76.1	25%	0.246	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.3	174.7	-56.7	177.8	0	0	0	107.9	Y75 E81 S82 Y84	I73-Y75 HydrophobicContact CG2-CE1 4.33Å; I73-E81 WeakPolarHBondContact O-CA 3.48Å; I73-S82 PolarHBondContact N-O 3.1Å; I73-S82 PolarHBondContact O-N 3.14Å; I73-Y84 HydrophobicContact CD1-CG 4.2Å
74	Y	63.9	Low	74.3	Confident	118 Å²	118	77.7 Å²	77.7	46%	0.463	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.8	178.1	-177.6	-105.5	0	0	0	111	L76 D79 E81	Y74-L76 HydrophobicContact CD1-CD2 4.41Å; Y74-L76 HydrophobicContact CD1-CG 4.31Å; Y74-L76 HydrophobicContact CE1-CD2 3.88Å; Y74-L76 HydrophobicContact CE1-CG 4.15Å; Y74-D79 PolarHBondContact OH-OD1 3.12Å; Y74-E81 HydrophobicContact CD2-CG 3.88Å
75	Y	54.8	Low	73.7	Confident	110 Å²	110	77.4 Å²	77.4	43%	0.431	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.5	174.9	-64	-74.2	0	0	0	110.5	I73 N77 E78 D79 S80 S82	I73-Y75 HydrophobicContact CG2-CE1 4.33Å; Y75-N77 PolarHBondContact O-N 3.48Å; Y75-E78 PolarHBondContact O-N 2.78Å; Y75-D79 PolarHBondContact O-N 3.08Å; Y75-S80 PolarHBondContact N-O 3.09Å; Y75-S82 WeakPolarHBondContact CE2-OG 3.36Å
76	L	44.7	Very low	72.8	Confident	144 Å²	144	79 Å²	79	75%	0.754	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.8	178	-75.5	158.1	0	0	0	114.4	Y74	Y74-L76 HydrophobicContact CD1-CD2 4.41Å; Y74-L76 HydrophobicContact CD1-CG 4.31Å; Y74-L76 HydrophobicContact CE1-CD2 3.88Å; Y74-L76 HydrophobicContact CE1-CG 4.15Å
77	N	56.9	Low	72.3	Confident	164 Å²	164	76.2 Å²	76.2	88%	0.877	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-18	-176.8	-64.8	-21.1	0	0	0	113.5	Y75	Y75-N77 PolarHBondContact O-N 3.48Å
78	E	53.8	Low	71.6	Confident	143 Å²	143	78.1 Å²	78.1	67%	0.668	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-4.1	-171.5	-65	-174.6	179.7	0	0	112.8	Y75 S80	Y75-E78 PolarHBondContact O-N 2.78Å; E78-S80 WeakPolarHBondContact CB-OG 3.42Å; E78-S80 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact O-N 3.14Å; E78-S80 PolarHBondContact OE2-OG 3.22Å
79	D	62.1	Low	71	Confident	130 Å²	130	72 Å²	72	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	37.9	-169.8	-71.6	-36.3	0	0	0	112.1	Y74 Y75	Y74-D79 PolarHBondContact OH-OD1 3.12Å; Y75-D79 PolarHBondContact O-N 3.08Å
80	S	64.7	Low	70.2	Confident	38 Å²	38	76.8 Å²	76.8	27%	0.266	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.5	-172.2	76.6	0	0	0	0	111.6	Y75 E78	Y75-S80 PolarHBondContact N-O 3.09Å; E78-S80 WeakPolarHBondContact CB-OG 3.42Å; E78-S80 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact O-N 3.14Å; E78-S80 PolarHBondContact OE2-OG 3.22Å
81	E	74.1	Confident	69	Low	83 Å²	83	79.2 Å²	79.2	39%	0.388	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136	172.3	-68.2	-178.7	154.8	0	0	109.6	I73 Y74 R160	I73-E81 WeakPolarHBondContact O-CA 3.48Å; Y74-E81 HydrophobicContact CD2-CG 3.88Å; E81-R160 IonicContact OE1-CZ 2.86Å; E81-R160 IonicContact OE1-NH1 3.88Å; E81-R160 PolarHBondContact OE1-NH1 2.74Å; E81-R160 IonicContact OE1-NH2 3.37Å; E81-R160 PolarHBondContact OE1-NH2 3.47Å; E81-R160 IonicContact OE2-CZ 3.53Å; E81-R160 IonicContact OE2-NH1 2.91Å; E81-R160 PolarHBondContact OE2-NH1 3.3Å
82	S	72.8	Confident	67.7	Low	36 Å²	36	87 Å²	87	25%	0.252	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.9	174.3	69.1	0	0	0	0	111.5	L72 I73 Y75	L72-S82 WeakPolarHBondContact CA-O 3.43Å; I73-S82 PolarHBondContact N-O 3.1Å; I73-S82 PolarHBondContact O-N 3.14Å; Y75-S82 WeakPolarHBondContact CE2-OG 3.36Å
83	T	77.5	Confident	66.4	Low	73 Å²	73	89 Å²	89	45%	0.448	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.2	176.5	59	0	0	0	0	111	L72	L72-T83 HydrophobicContact CD2-CG2 3.78Å
84	Y	74.2	Confident	65.1	Low	127 Å²	127	91.8 Å²	91.8	50%	0.498	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.9	175.5	-157.4	-107.9	0	0	0	110.1	S70 R71 I73 D86	S70-Y84 CarbonylContact C-O 3.53Å; S70-Y84 VanDerWaalsContact CA-O 3.29Å; S70-Y84 WeakPolarHBondContact CA-O 3.48Å; S70-Y84 WeakPolarHBondContact CB-O 3.46Å; R71-Y84 PolarHBondContact N-O 2.8Å; R71-Y84 PolarHBondContact O-N 3.4Å; I73-Y84 HydrophobicContact CD1-CG 4.2Å; Y84-D86 VanDerWaalsContact C-N 3.29Å; Y84-D86 HydrophobicContact CD1-CB 3.48Å; Y84-D86 VanDerWaalsContact CD1-CB 3.48Å; Y84-D86 HydrophobicContact CE1-CB 3.37Å; Y84-D86 PolarHBondContact O-N 2.86Å
85	H	72.8	Confident	64.1	Low	95 Å²	95	92 Å²	92	44%	0.44	46%	0.464	S	S	.	.	S	Bend	trans	-75.2	-18.3	-175.3	-66.3	-43.2	0	0	0	114	S70 L87 A201	S70-H85 PolarHBondContact OG-ND1 3.14Å; H85-L87 PolarHBondContact O-N 2.97Å; H85-A201 HydrophobicContact CB-CB 4.26Å
86	D	72.6	Confident	63.5	Low	82 Å²	82	90 Å²	90	44%	0.439	46%	0.464	S	S	.	.			trans	-75.6	121.1	171.3	-170.6	4.1	0	0	0	109.9	R71 Y84 D88	R71-D86 WeakPolarHBondContact CB-O 3.26Å; Y84-D86 VanDerWaalsContact C-N 3.29Å; Y84-D86 HydrophobicContact CD1-CB 3.48Å; Y84-D86 VanDerWaalsContact CD1-CB 3.48Å; Y84-D86 HydrophobicContact CE1-CB 3.37Å; Y84-D86 PolarHBondContact O-N 2.86Å; D86-D88 VanDerWaalsContact OD1-CB 3.27Å; D86-D88 WeakPolarHBondContact OD1-CB 3.26Å; D86-D88 PolarHBondContact OD1-N 3.12Å
87	L	80.5	Confident	63.1	Low	9 Å²	9	92.4 Å²	92.4	5%	0.047	47%	0.471	C	S	.	.			trans	-92.8	-4.3	-178.9	-57.5	172.1	0	0	0	112	P69 H85 T89 F110 L175 R202 H204	P69-L87 HydrophobicContact CB-CD2 4.1Å; P69-L87 HydrophobicContact CG-CD1 3.8Å; P69-L87 HydrophobicContact CG-CD2 4.25Å; H85-L87 PolarHBondContact O-N 2.97Å; L87-T89 PolarHBondContact O-N 2.65Å; L87-F110 HydrophobicContact CB-CE1 4.16Å; L87-F110 HydrophobicContact CD2-CD1 3.78Å; L87-F110 HydrophobicContact CD2-CE1 3.86Å; L87-L175 HydrophobicContact CD1-CG 4.33Å; L87-R202 HydrophobicContact CD1-CB 4.44Å; L87-H204 WeakPolarHBondContact CD1-CE1 3.48Å
88	D	76.1	Confident	62.3	Low	44 Å²	44	88 Å²	88	24%	0.235	46%	0.464	C	S	.	.			trans	-61.2	136.8	-178.4	-160.4	-7.6	0	0	0	110.6	R71 D86 R90	R71-D88 VanDerWaalsContact CZ-O 3.28Å; R71-D88 PolarHBondContact NH1-O 2.9Å; D86-D88 VanDerWaalsContact OD1-CB 3.27Å; D86-D88 WeakPolarHBondContact OD1-CB 3.26Å; D86-D88 PolarHBondContact OD1-N 3.12Å; D88-R90 WeakPolarHBondContact OD1-CB 3.39Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 IonicContact OD1-CZ 3.88Å; D88-R90 PolarHBondContact OD1-N 3.3Å; D88-R90 IonicContact OD1-NE 3.13Å; D88-R90 IonicContact OD1-NH1 2.89Å; D88-R90 PolarHBondContact OD1-NH1 3.22Å; D88-R90 IonicContact OD2-CZ 3.59Å; D88-R90 IonicContact OD2-NH1 3.84Å; D88-R90 PolarHBondContact OD2-NH1 2.96Å
89	T	77	Confident	61.9	Low	0 Å²	0	85.8 Å²	85.8	0%	0	45%	0.454	C	S	.	.			trans	-108.1	5.4	174.6	56.4	0	0	0	0	112.3	L87 A91 H104 L105 A108 F110 Y155 T171	L87-T89 PolarHBondContact O-N 2.65Å; T89-A91 PolarHBondContact O-N 2.95Å; T89-H104 CarbonylContact O-C 3.49Å; T89-H104 VanDerWaalsContact O-CA 3.24Å; T89-H104 WeakPolarHBondContact O-CA 3.27Å; T89-H104 PolarHBondContact OG1-ND1 3.49Å; T89-L105 WeakPolarHBondContact O-CG 3.41Å; T89-L105 PolarHBondContact O-N 2.93Å; T89-A108 HydrophobicContact CG2-CB 3.96Å; T89-F110 HydrophobicContact CG2-CE2 4.38Å; T89-F110 HydrophobicContact CG2-CZ 3.78Å; T89-Y155 WeakPolarHBondContact CB-OH 3.35Å; T89-Y155 PolarHBondContact OG1-OH 3.45Å; T89-T171 HydrophobicContact CG2-CG2 4.03Å; T89-T171 PolarHBondContact OG1-OG1 3.1Å
90	R	75	Confident	61.3	Low	101 Å²	101	85.6 Å²	85.6	38%	0.381	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.8	175.2	-67.1	175.9	-166	98.1	-0.4	110.5	D88 A102 V103 E151 C172	D88-R90 WeakPolarHBondContact OD1-CB 3.39Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 IonicContact OD1-CZ 3.88Å; D88-R90 PolarHBondContact OD1-N 3.3Å; D88-R90 IonicContact OD1-NE 3.13Å; D88-R90 IonicContact OD1-NH1 2.89Å; D88-R90 PolarHBondContact OD1-NH1 3.22Å; D88-R90 IonicContact OD2-CZ 3.59Å; D88-R90 IonicContact OD2-NH1 3.84Å; D88-R90 PolarHBondContact OD2-NH1 2.96Å; R90-A102 HydrophobicContact CG-CB 4.05Å; R90-V103 CarbonylContact C-O 3.41Å; R90-V103 WeakPolarHBondContact CA-O 3.03Å; R90-E151 IonicContact CZ-OE1 3.97Å; R90-E151 VanDerWaalsContact CZ-OE1 3.26Å; R90-E151 IonicContact NE-OE1 3.85Å; R90-E151 PolarHBondContact NE-OE1 2.93Å; R90-E151 VanDerWaalsContact NE-OE1 3.08Å; R90-E151 IonicContact NH2-OE1 3.04Å; R90-E151 PolarHBondContact NH2-OE1 3.15Å; R90-C172 PolarHBondContact NH2-O 2.8Å
91	A	62.2	Low	61	Low	63 Å²	63	85.8 Å²	85.8	52%	0.521	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.5	-178.5	0	0	0	0	0	112.6	T89 V103 L105	T89-A91 PolarHBondContact O-N 2.95Å; A91-V103 PolarHBondContact N-O 2.66Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.46Å
92	R	56	Low	60.6	Low	203 Å²	203	82.8 Å²	82.8	77%	0.766	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.3	153.7	174.1	-136.9	175.4	-155.1	176.3	5.8	111.5	V103	R92-V103 VanDerWaalsContact O-CB 3.31Å; R92-V103 WeakPolarHBondContact O-CB 3.34Å; R92-V103 PolarHBondContact O-N 2.68Å
93	S	50.2	Low	60.4	Low	57 Å²	57	82.8 Å²	82.8	40%	0.399	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.3	163.6	156	0	0	0	0	108.8	D100	S93-D100 WeakPolarHBondContact CB-OD1 3.35Å; S93-D100 PolarHBondContact OG-OD1 2.95Å
94	Q	46	Very low	60.3	Low	107 Å²	107	79.9 Å²	79.9	50%	0.5	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.2	162.6	-82.8	-173	-13.6	0	0	108.3	T96 Q101 V103	Q94-T96 PolarHBondContact O-N 2.85Å; Q94-Q101 PolarHBondContact N-O 3.24Å; Q94-Q101 PolarHBondContact O-N 3.41Å; Q94-V103 HydrophobicContact CB-CG2 4.4Å; Q94-V103 HydrophobicContact CG-CG2 4.12Å
95	V	41.4	Very low	60.2	Low	122 Å²	122	76.7 Å²	76.7	74%	0.739	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	97.5	171.6	-177.3	0	0	0	0	107.5
96	T	42.3	Very low	60	Low	69 Å²	69	73.7 Å²	73.7	42%	0.423	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122	168.6	20.1	0	0	0	0	108	Q94 G98 H99	Q94-T96 PolarHBondContact O-N 2.85Å; T96-G98 VanDerWaalsContact C-N 3.32Å; T96-G98 PolarHBondContact O-N 2.9Å; T96-H99 PolarHBondContact O-N 2.86Å; T96-H99 VanDerWaalsContact O-N 3.07Å
97	E	37.8	Very low	60.1	Low	194 Å²	194	76.4 Å²	76.4	91%	0.907	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.4	48.1	174.2	-62.1	-167.2	154.4	0	0	116.2	H99	E97-H99 VanDerWaalsContact C-N 3.32Å; E97-H99 PolarHBondContact O-N 3.37Å; E97-H99 PolarHBondContact O-ND1 3.2Å
98	G	38.8	Very low	60.1	Low	72 Å²	72	76.3 Å²	76.3	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	11.3	172.2	0	0	0	0	0	115.7	T96	T96-G98 VanDerWaalsContact C-N 3.32Å; T96-G98 PolarHBondContact O-N 2.9Å
99	H	46.5	Very low	60.6	Low	96 Å²	96	75.4 Å²	75.4	44%	0.444	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.5	172.6	-67.3	52.6	0	0	0	109.2	T96 E97 Q101	T96-H99 PolarHBondContact O-N 2.86Å; T96-H99 VanDerWaalsContact O-N 3.07Å; E97-H99 VanDerWaalsContact C-N 3.32Å; E97-H99 PolarHBondContact O-N 3.37Å; E97-H99 PolarHBondContact O-ND1 3.2Å; H99-Q101 PolarHBondContact O-N 3.21Å
100	D	49	Very low	61.2	Low	126 Å²	126	75.4 Å²	75.4	67%	0.674	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	92.4	175.4	-169	-1.3	0	0	0	108.1	S93	S93-D100 WeakPolarHBondContact CB-OD1 3.35Å; S93-D100 PolarHBondContact OG-OD1 2.95Å
101	Q	58.8	Low	62	Low	42 Å²	42	72 Å²	72	20%	0.196	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111	-179.3	-133.4	171.4	-16.3	0	0	109	Q94 H99 V103 G150 F455	Q94-Q101 PolarHBondContact N-O 3.24Å; Q94-Q101 PolarHBondContact O-N 3.41Å; H99-Q101 PolarHBondContact O-N 3.21Å; Q101-V103 PolarHBondContact O-N 2.04Å; Q101-G150 PolarHBondContact NE2-O 2.04Å; Q101-F455 HydrophobicContact CG-CE1 4.11Å
102	A	64.7	Low	63.5	Low	21 Å²	21	69.1 Å²	69.1	17%	0.174	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116	177.1	0	0	0	0	0	109.7	R90 H104	R90-A102 HydrophobicContact CG-CB 4.05Å; A102-H104 PolarHBondContact O-CD2 3.3Å
103	V	69.6	Low	65.2	Low	36 Å²	36	65.4 Å²	65.4	22%	0.218	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.3	173.7	-177.6	0	0	0	0	108.3	R90 A91 R92 Q94 Q101	R90-V103 CarbonylContact C-O 3.41Å; R90-V103 WeakPolarHBondContact CA-O 3.03Å; A91-V103 PolarHBondContact N-O 2.66Å; R92-V103 VanDerWaalsContact O-CB 3.31Å; R92-V103 WeakPolarHBondContact O-CB 3.34Å; R92-V103 PolarHBondContact O-N 2.68Å; Q94-V103 HydrophobicContact CB-CG2 4.4Å; Q94-V103 HydrophobicContact CG-CG2 4.12Å; Q101-V103 PolarHBondContact O-N 2.04Å
104	H	74.9	Confident	67.2	Low	12 Å²	12	63 Å²	63	6%	0.056	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	157.6	178.1	-70.3	-95.7	0	0	0	111.7	T89 A102 L125 E151 H152 Y155	T89-H104 CarbonylContact O-C 3.49Å; T89-H104 VanDerWaalsContact O-CA 3.24Å; T89-H104 WeakPolarHBondContact O-CA 3.27Å; T89-H104 PolarHBondContact OG1-ND1 3.49Å; A102-H104 PolarHBondContact O-CD2 3.3Å; H104-L125 HydrophobicContact CB-CD1 4.48Å; H104-E151 IonicContact CE1-OE1 3.71Å; H104-E151 WeakPolarHBondContact NE2-CG 3.32Å; H104-E151 IonicContact NE2-OE1 2.74Å; H104-E151 PolarHBondContact NE2-OE1 3.36Å; H104-H152 PolarHBondContact CD2-O 3.07Å; H104-Y155 WeakPolarHBondContact CB-OH 3.03Å
105	L	72.6	Confident	69.3	Low	60 Å²	60	59.6 Å²	59.6	31%	0.314	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-61.2	134.2	174.5	-64.9	172.7	0	0	0	110.7	T89 A91 Q107 Y155	T89-L105 WeakPolarHBondContact O-CG 3.41Å; T89-L105 PolarHBondContact O-N 2.93Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.46Å; L105-Q107 VanDerWaalsContact C-N 3.27Å; L105-Q107 WeakPolarHBondContact CB-O 3.43Å; L105-Q107 PolarHBondContact O-N 3.09Å; L105-Y155 VanDerWaalsContact O-CE1 3.3Å; L105-Y155 WeakPolarHBondContact O-CE1 3.5Å; L105-Y155 PolarHBondContact O-OH 2.88Å
106	A	68.3	Low	71.6	Confident	32 Å²	32	58 Å²	58	26%	0.264	34%	0.341	S	S	.	.	S	Bend	trans	-64.1	-34	176.4	0	0	0	0	0	112.4	T124 L125 E459	A106-T124 CarbonylContact O-C 3.58Å; A106-T124 WeakPolarHBondContact O-CA 3.04Å; A106-L125 PolarHBondContact O-N 3.23Å; A106-E459 WeakPolarHBondContact CB-OE1 3.5Å
107	Q	75.2	Confident	73.9	Confident	139 Å²	139	57.6 Å²	57.6	65%	0.65	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.7	175.8	-66.8	178.5	-6.9	0	0	110.3	L105 L123	L105-Q107 VanDerWaalsContact C-N 3.27Å; L105-Q107 WeakPolarHBondContact CB-O 3.43Å; L105-Q107 PolarHBondContact O-N 3.09Å; Q107-L123 VanDerWaalsContact CA-O 3.28Å; Q107-L123 WeakPolarHBondContact CA-O 3.36Å
108	A	80.3	Confident	76.5	Confident	7 Å²	7	55.7 Å²	55.7	6%	0.058	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.3	176.3	0	0	0	0	0	110.3	T89 F110 L123 Y155	T89-A108 HydrophobicContact CG2-CB 3.96Å; A108-F110 HydrophobicContact CB-CE2 3.74Å; A108-F110 HydrophobicContact CB-CZ 4.24Å; A108-L123 PolarHBondContact N-O 2.95Å; A108-L123 WeakPolarHBondContact O-CA 3.23Å; A108-L123 WeakPolarHBondContact O-CB 3.37Å; A108-L123 PolarHBondContact O-N 3.39Å; A108-Y155 HydrophobicContact CB-CE1 4.47Å
109	S	85.9	Confident	79.2	Confident	25 Å²	25	52.8 Å²	52.8	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.2	175.5	-61.1	0	0	0	0	110.4	R71 L72 L121 D122	R71-S109 CarbonylContact C-O 3.47Å; R71-S109 WeakPolarHBondContact CA-O 3Å; L72-S109 PolarHBondContact N-O 3.42Å; S109-L121 CarbonylContact C-O 3.57Å; S109-L121 VanDerWaalsContact CA-O 3.22Å; S109-L121 WeakPolarHBondContact CA-O 3.34Å; S109-D122 WeakPolarHBondContact CB-OD1 3.29Å; S109-D122 PolarHBondContact OG-OD1 3.43Å
110	F	90.8	Very high	81.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.1	179.5	-65.3	-85.9	0	0	0	110.8	S70 R71 L87 T89 A108 V120 L121 L123 T171 L175	S70-F110 CarbonylContact O-C 3.43Å; S70-F110 WeakPolarHBondContact O-CA 3.01Å; R71-F110 HydrophobicContact CB-CD1 4.01Å; R71-F110 HydrophobicContact CB-CE1 3.84Å; R71-F110 HydrophobicContact CG-CD1 4.31Å; R71-F110 HydrophobicContact CG-CE1 3.95Å; R71-F110 HydrophobicContact CG-CZ 4.37Å; L87-F110 HydrophobicContact CB-CE1 4.16Å; L87-F110 HydrophobicContact CD2-CD1 3.78Å; L87-F110 HydrophobicContact CD2-CE1 3.86Å; T89-F110 HydrophobicContact CG2-CE2 4.38Å; T89-F110 HydrophobicContact CG2-CZ 3.78Å; A108-F110 HydrophobicContact CB-CE2 3.74Å; A108-F110 HydrophobicContact CB-CZ 4.24Å; F110-V120 CarbonylContact O-C 3.52Å; F110-V120 WeakPolarHBondContact O-CA 3.3Å; F110-L121 PolarHBondContact N-O 3.25Å; F110-L121 PolarHBondContact O-N 3.36Å; F110-L123 HydrophobicContact CD2-CD1 3.56Å; F110-L123 HydrophobicContact CD2-CG 4.24Å; F110-L123 HydrophobicContact CE2-CD1 3.7Å; F110-T171 HydrophobicContact CE2-CG2 4.1Å; F110-T171 HydrophobicContact CZ-CG2 4Å; F110-L175 HydrophobicContact CB-CD1 4.05Å; F110-L175 HydrophobicContact CD1-CD1 3.94Å; F110-L175 HydrophobicContact CD1-CD2 3.97Å; F110-L175 HydrophobicContact CD1-CG 4.37Å; F110-L175 HydrophobicContact CD2-CD2 4.13Å; F110-L175 HydrophobicContact CE1-CD2 3.85Å; F110-L175 HydrophobicContact CE2-CD2 4.02Å; F110-L175 HydrophobicContact CG-CD1 3.97Å; F110-L175 HydrophobicContact CG-CD2 4.09Å; F110-L175 HydrophobicContact CZ-CD2 3.87Å
111	Q	91.9	Very high	83.5	Confident	29 Å²	29	42.8 Å²	42.8	14%	0.136	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.2	171.5	-178.1	178.1	-67	0	0	110	P69 S70 L72 R118 F119 V120	P69-Q111 CarbonylContact C-O 3.51Å; P69-Q111 VanDerWaalsContact CA-O 3.29Å; P69-Q111 WeakPolarHBondContact CA-O 3.33Å; S70-Q111 PolarHBondContact N-O 2.74Å; S70-Q111 PolarHBondContact O-N 2.96Å; L72-Q111 HydrophobicContact CD1-CB 4.19Å; L72-Q111 HydrophobicContact CD2-CB 3.86Å; L72-Q111 HydrophobicContact CG-CB 4Å; Q111-R118 HydrophobicContact CG-CG 3.96Å; Q111-F119 WeakPolarHBondContact CA-O 3.42Å; Q111-V120 HydrophobicContact CG-CG2 4.45Å
112	L	92.8	Very high	84.9	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.9	170.4	65.8	99.2	0	0	0	111.3	P69 A114 F119 L121 F179 I188 L206	P69-L112 HydrophobicContact CB-CB 4.07Å; L112-A114 HydrophobicContact CD1-CB 4.33Å; L112-F119 HydrophobicContact CD1-CB 4.2Å; L112-F119 HydrophobicContact CD1-CD2 3.71Å; L112-F119 HydrophobicContact CD1-CG 4.34Å; L112-F119 HydrophobicContact CG-CB 4.12Å; L112-F119 HydrophobicContact CG-CD2 4.5Å; L112-F119 PolarHBondContact N-O 3.11Å; L112-F119 PolarHBondContact O-N 2.72Å; L112-L121 HydrophobicContact CD2-CD1 3.77Å; L112-L121 HydrophobicContact CD2-CG 4.26Å; L112-F179 HydrophobicContact CD1-CZ 4.08Å; L112-F179 HydrophobicContact CD2-CE1 4.05Å; L112-F179 HydrophobicContact CD2-CZ 4.25Å; L112-I188 HydrophobicContact CD2-CD1 4.25Å; L112-L206 HydrophobicContact CD1-CD2 3.86Å
113	E	92	Very high	86	Confident	126 Å²	126	42.1 Å²	42.1	59%	0.589	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.6	178.1	-68	-177.5	-176.4	0	0	109.3	T67 S117 R118	T67-E113 WeakPolarHBondContact CB-O 3.21Å; T67-E113 PolarHBondContact OG1-O 3.03Å; E113-S117 WeakPolarHBondContact CA-O 3.4Å; E113-R118 HydrophobicContact CG-CB 4.38Å; E113-R118 HydrophobicContact CG-CG 4.18Å
114	A	91.7	Very high	86.8	Confident	6 Å²	6	43.6 Å²	43.6	5%	0.05	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	151.7	178.6	0	0	0	0	0	110.8	V65 L112 G116 S117 L206	V65-A114 HydrophobicContact CG1-CB 4.43Å; L112-A114 HydrophobicContact CD1-CB 4.33Å; A114-G116 PolarHBondContact O-N 3.34Å; A114-G116 VanDerWaalsContact O-N 3.08Å; A114-S117 PolarHBondContact N-O 2.83Å; A114-S117 PolarHBondContact O-N 2.99Å; A114-L206 HydrophobicContact CB-CD2 3.31Å
115	F	91.2	Very high	87.1	Confident	36 Å²	36	43.9 Å²	43.9	16%	0.158	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	31.9	177.7	-49.9	-75.4	0	0	0	114.2	E63 V65 S117 Y186 L206 R208	E63-F115 HydrophobicContact CB-CD1 4.45Å; E63-F115 HydrophobicContact CB-CE1 3.78Å; V65-F115 HydrophobicContact CB-CE1 4.04Å; V65-F115 HydrophobicContact CB-CZ 4.09Å; V65-F115 HydrophobicContact CG2-CD1 3.69Å; V65-F115 HydrophobicContact CG2-CE1 3.41Å; V65-F115 VanDerWaalsContact CG2-CE1 3.41Å; V65-F115 HydrophobicContact CG2-CG 4.45Å; V65-F115 HydrophobicContact CG2-CZ 3.99Å; F115-S117 PolarHBondContact O-N 3.44Å; F115-Y186 HydrophobicContact CD2-CD1 4.18Å; F115-Y186 AromaticContact CD2-CE1 3.76Å; F115-Y186 HydrophobicContact CD2-CE1 3.76Å; F115-Y186 AromaticContact CE2-CD1 3.92Å; F115-Y186 HydrophobicContact CE2-CD1 3.92Å; F115-Y186 AromaticContact CE2-CE1 3.94Å; F115-Y186 HydrophobicContact CE2-CE1 3.94Å; F115-L206 HydrophobicContact CD2-CD2 4.19Å; F115-L206 HydrophobicContact CE2-CB 4.43Å; F115-L206 HydrophobicContact CE2-CD2 3.71Å; F115-L206 HydrophobicContact CE2-CG 4.02Å; F115-R208 HydrophobicContact CD1-CG 4.11Å; F115-R208 HydrophobicContact CD2-CB 4.3Å; F115-R208 HydrophobicContact CD2-CG 4.24Å; F115-R208 HydrophobicContact CE1-CB 4.42Å; F115-R208 HydrophobicContact CE1-CG 3.73Å; F115-R208 HydrophobicContact CE2-CB 3.7Å; F115-R208 HydrophobicContact CE2-CG 3.85Å; F115-R208 HydrophobicContact CG-CG 4.36Å; F115-R208 HydrophobicContact CZ-CB 3.79Å; F115-R208 HydrophobicContact CZ-CG 3.6Å
116	G	87.8	Confident	87.9	Confident	89 Å²	89	41.3 Å²	41.3	92%	0.918	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	8.2	-178	0	0	0	0	0	114.9	A114	A114-G116 PolarHBondContact O-N 3.34Å; A114-G116 VanDerWaalsContact O-N 3.08Å
117	S	90.8	Very high	88.5	Confident	60 Å²	60	41 Å²	41	42%	0.42	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.7	179.4	-58.7	0	0	0	0	110.8	E113 A114 F115	E113-S117 WeakPolarHBondContact CA-O 3.4Å; A114-S117 PolarHBondContact N-O 2.83Å; A114-S117 PolarHBondContact O-N 2.99Å; F115-S117 PolarHBondContact O-N 3.44Å
118	R	93.3	Very high	88.8	Confident	154 Å²	154	35.5 Å²	35.5	58%	0.581	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.6	173.6	-174.6	-178.8	73.6	121.7	-1	108.3	Q111 E113	Q111-R118 HydrophobicContact CG-CG 3.96Å; E113-R118 HydrophobicContact CG-CB 4.38Å; E113-R118 HydrophobicContact CG-CG 4.18Å
119	F	94.3	Very high	89.2	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.4	176.7	-55.1	-86.3	0	0	0	109.4	Q111 L112 L121 V159 F179 D181 Y186	Q111-F119 WeakPolarHBondContact CA-O 3.42Å; L112-F119 HydrophobicContact CD1-CB 4.2Å; L112-F119 HydrophobicContact CD1-CD2 3.71Å; L112-F119 HydrophobicContact CD1-CG 4.34Å; L112-F119 HydrophobicContact CG-CB 4.12Å; L112-F119 HydrophobicContact CG-CD2 4.5Å; L112-F119 PolarHBondContact N-O 3.11Å; L112-F119 PolarHBondContact O-N 2.72Å; F119-L121 HydrophobicContact CB-CD2 4.32Å; F119-V159 HydrophobicContact CD1-CG1 4.31Å; F119-F179 HydrophobicContact CB-CE2 4.31Å; F119-F179 HydrophobicContact CB-CZ 4.49Å; F119-F179 AromaticContact CD1-CE2 3.84Å; F119-F179 HydrophobicContact CD1-CE2 3.84Å; F119-F179 HydrophobicContact CD2-CE2 4.45Å; F119-F179 HydrophobicContact CD2-CZ 4.38Å; F119-F179 HydrophobicContact CE1-CE2 4.27Å; F119-F179 AromaticContact CG-CE2 3.94Å; F119-F179 HydrophobicContact CG-CE2 3.94Å; F119-F179 HydrophobicContact CG-CZ 4.22Å; F119-D181 HydrophobicContact CE1-CB 4.24Å; F119-Y186 HydrophobicContact CE1-CE2 4.03Å; F119-Y186 AromaticContact CE1-CZ 3.87Å; F119-Y186 HydrophobicContact CE2-CE1 4.34Å; F119-Y186 AromaticContact CZ-CE1 3.93Å; F119-Y186 HydrophobicContact CZ-CE1 3.93Å; F119-Y186 HydrophobicContact CZ-CE2 4.13Å; F119-Y186 AromaticContact CZ-CZ 3.52Å; F119-Y186 VanDerWaalsContact CZ-OH 3.3Å; F119-Y186 WeakPolarHBondContact CZ-OH 3.4Å
120	V	93.9	Very high	89.4	Confident	11 Å²	11	34.1 Å²	34.1	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.4	168.8	179.4	0	0	0	0	106.9	L72 F110 Q111 V159 R160	L72-V120 HydrophobicContact CD1-CG1 3.53Å; L72-V120 HydrophobicContact CD1-CG2 4.23Å; F110-V120 CarbonylContact O-C 3.52Å; F110-V120 WeakPolarHBondContact O-CA 3.3Å; Q111-V120 HydrophobicContact CG-CG2 4.45Å; V120-V159 CarbonylContact O-C 3.56Å; V120-V159 WeakPolarHBondContact O-CA 3.4Å; V120-R160 HydrophobicContact CB-CB 3.94Å; V120-R160 HydrophobicContact CG1-CB 4.11Å; V120-R160 PolarHBondContact O-N 2.88Å
121	L	93.8	Very high	89.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.4	-178.1	-48.4	-176.5	0	0	0	107.7	S109 F110 L112 F119 L123 V159 V167 L169 F179	S109-L121 CarbonylContact C-O 3.57Å; S109-L121 VanDerWaalsContact CA-O 3.22Å; S109-L121 WeakPolarHBondContact CA-O 3.34Å; F110-L121 PolarHBondContact N-O 3.25Å; F110-L121 PolarHBondContact O-N 3.36Å; L112-L121 HydrophobicContact CD2-CD1 3.77Å; L112-L121 HydrophobicContact CD2-CG 4.26Å; F119-L121 HydrophobicContact CB-CD2 4.32Å; L121-L123 HydrophobicContact CB-CD2 4.03Å; L121-L123 HydrophobicContact CB-CG 4.45Å; L121-V159 HydrophobicContact CD2-CG2 3.8Å; L121-V167 HydrophobicContact CB-CG2 4.47Å; L121-V167 HydrophobicContact CD1-CG1 4.37Å; L121-V167 HydrophobicContact CD2-CG2 4.13Å; L121-L169 HydrophobicContact CD1-CD1 3.58Å; L121-F179 HydrophobicContact CD1-CD1 3.88Å; L121-F179 HydrophobicContact CD1-CE1 4.15Å; L121-F179 HydrophobicContact CD1-CG 4.25Å; L121-F179 HydrophobicContact CD2-CB 4.33Å; L121-F179 HydrophobicContact CD2-CD1 4.25Å; L121-F179 HydrophobicContact CD2-CD2 3.78Å; L121-F179 HydrophobicContact CD2-CE2 4.09Å; L121-F179 HydrophobicContact CD2-CG 3.88Å; L121-F179 HydrophobicContact CD2-CZ 4.46Å
122	D	87.5	Confident	88.2	Confident	46 Å²	46	35 Å²	35	25%	0.246	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.9	176.4	-69.9	-36.2	0	0	0	108.7	S109 G157 Q158 R160	S109-D122 WeakPolarHBondContact CB-OD1 3.29Å; S109-D122 PolarHBondContact OG-OD1 3.43Å; D122-G157 WeakPolarHBondContact O-CA 2.68Å; D122-Q158 PolarHBondContact N-O 2.93Å; D122-Q158 PolarHBondContact O-N 3.35Å; D122-R160 IonicContact OD1-CZ 3.51Å; D122-R160 IonicContact OD1-NE 2.88Å; D122-R160 PolarHBondContact OD1-NE 3.37Å; D122-R160 IonicContact OD1-NH2 2.63Å; D122-R160 PolarHBondContact OD1-NH2 2.73Å; D122-R160 WeakPolarHBondContact OD2-CB 3.44Å; D122-R160 WeakPolarHBondContact OD2-CG 2.99Å; D122-R160 IonicContact OD2-CZ 2.91Å; D122-R160 IonicContact OD2-NE 2.69Å; D122-R160 PolarHBondContact OD2-NE 2.99Å; D122-R160 IonicContact OD2-NH2 3.39Å
123	L	87.2	Confident	87.6	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.5	-168.9	-50.1	-174.4	0	0	0	111.8	Q107 A108 F110 L121 Y155 H156 V167 L169	Q107-L123 VanDerWaalsContact CA-O 3.28Å; Q107-L123 WeakPolarHBondContact CA-O 3.36Å; A108-L123 PolarHBondContact N-O 2.95Å; A108-L123 WeakPolarHBondContact O-CA 3.23Å; A108-L123 WeakPolarHBondContact O-CB 3.37Å; A108-L123 PolarHBondContact O-N 3.39Å; F110-L123 HydrophobicContact CD2-CD1 3.56Å; F110-L123 HydrophobicContact CD2-CG 4.24Å; F110-L123 HydrophobicContact CE2-CD1 3.7Å; L121-L123 HydrophobicContact CB-CD2 4.03Å; L121-L123 HydrophobicContact CB-CG 4.45Å; L123-Y155 HydrophobicContact CB-CD1 3.85Å; L123-Y155 HydrophobicContact CB-CG 4.13Å; L123-Y155 HydrophobicContact CD1-CG 4.4Å; L123-H156 WeakPolarHBondContact CA-O 3.36Å; L123-V167 HydrophobicContact CD2-CB 3.83Å; L123-V167 HydrophobicContact CD2-CG1 3.33Å; L123-V167 HydrophobicContact CD2-CG2 4.36Å; L123-L169 HydrophobicContact CD1-CB 4.28Å; L123-L169 HydrophobicContact CD1-CD1 3.93Å; L123-L169 HydrophobicContact CD2-CD1 4.35Å
124	T	85.9	Confident	87.5	Confident	68 Å²	68	33.9 Å²	33.9	42%	0.417	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.7	170.3	-54.4	0	0	0	0	109.3	A106 N126 Y155 H156	A106-T124 CarbonylContact O-C 3.58Å; A106-T124 WeakPolarHBondContact O-CA 3.04Å; T124-N126 PolarHBondContact O-N 3.02Å; T124-Y155 VanDerWaalsContact C-CD1 3.44Å; T124-Y155 VanDerWaalsContact O-CA 3.27Å; T124-Y155 WeakPolarHBondContact O-CA 3.12Å; T124-Y155 WeakPolarHBondContact O-CB 3.31Å; T124-H156 PolarHBondContact N-O 3.21Å; T124-H156 PolarHBondContact O-N 3.47Å
125	L	82.8	Confident	87.5	Confident	18 Å²	18	34.2 Å²	34.2	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	129.9	-179.2	-169.2	67.7	0	0	0	109.6	H104 A106 N127 Y155	H104-L125 HydrophobicContact CB-CD1 4.48Å; A106-L125 PolarHBondContact O-N 3.23Å; L125-N127 VanDerWaalsContact C-N 3.25Å; L125-N127 WeakPolarHBondContact CD2-OD1 3.37Å; L125-N127 PolarHBondContact O-N 2.82Å; L125-Y155 HydrophobicContact CB-CD1 4.15Å; L125-Y155 HydrophobicContact CB-CE1 3.93Å; L125-Y155 HydrophobicContact CD1-CD1 4.24Å; L125-Y155 HydrophobicContact CD1-CD2 4.18Å; L125-Y155 HydrophobicContact CD1-CE1 3.81Å; L125-Y155 HydrophobicContact CD1-CE2 3.71Å; L125-Y155 HydrophobicContact CD1-CG 4.4Å; L125-Y155 VanDerWaalsContact CD1-CZ 3.5Å; L125-Y155 HydrophobicContact CG-CE1 4.49Å
126	N	88.1	Confident	87.6	Confident	6 Å²	6	33 Å²	33	3%	0.032	20%	0.197	C	C	.	.			trans	-82.2	73.9	-178.4	-175.3	6.9	0	0	0	110.3	T124 D128 L129 H152 Y154 H156 N285 D288 R298	T124-N126 PolarHBondContact O-N 3.02Å; N126-D128 PolarHBondContact O-N 3.47Å; N126-L129 HydrophobicContact CB-CB 4.35Å; N126-L129 VanDerWaalsContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CB 3.35Å; N126-L129 PolarHBondContact O-N 2.99Å; N126-H152 PolarHBondContact O-CE1 3.39Å; N126-H152 PolarHBondContact O-NE2 3.2Å; N126-Y154 WeakPolarHBondContact CB-O 3.42Å; N126-Y154 PolarHBondContact N-O 3.47Å; N126-H156 PolarHBondContact ND2-CE1 2.98Å; N126-H156 PolarHBondContact ND2-NE2 3.45Å; N126-N285 PolarHBondContact ND2-OD1 3.22Å; N126-D288 PolarHBondContact ND2-OD2 3.48Å; N126-R298 PolarHBondContact OD1-NH2 2.9Å
127	N	80.4	Confident	87.9	Confident	25 Å²	25	29.1 Å²	29.1	13%	0.134	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.2	-175.3	-68.8	-28.5	0	0	0	114	L125 K453 E459	L125-N127 VanDerWaalsContact C-N 3.25Å; L125-N127 WeakPolarHBondContact CD2-OD1 3.37Å; L125-N127 PolarHBondContact O-N 2.82Å; N127-K453 HydrophobicContact CB-CD 3.97Å; N127-K453 VanDerWaalsContact CB-CE 3.46Å; N127-K453 WeakPolarHBondContact O-CG 3.38Å; N127-E459 PolarHBondContact ND2-OE2 3.45Å; N127-E459 VanDerWaalsContact ND2-OE2 3.12Å
128	D	82.1	Confident	88.1	Confident	24 Å²	24	27.6 Å²	27.6	13%	0.128	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	2	-176.6	-38.6	-37.6	0	0	0	112.4	N126 R298 V300 K453 Y464	N126-D128 PolarHBondContact O-N 3.47Å; D128-R298 IonicContact OD2-CZ 3.47Å; D128-R298 IonicContact OD2-NH1 3.53Å; D128-R298 PolarHBondContact OD2-NH1 2.92Å; D128-R298 IonicContact OD2-NH2 3.33Å; D128-R298 PolarHBondContact OD2-NH2 2.95Å; D128-V300 WeakPolarHBondContact O-CG2 3.36Å; D128-K453 WeakPolarHBondContact OD1-CE 3.39Å; D128-K453 IonicContact OD1-NZ 3.27Å; D128-Y464 WeakPolarHBondContact CB-OH 3.06Å; D128-Y464 VanDerWaalsContact CG-CE2 3.46Å; D128-Y464 WeakPolarHBondContact OD1-CE2 3.35Å; D128-Y464 PolarHBondContact OD1-OH 3.39Å; D128-Y464 PolarHBondContact OD2-OH 3.03Å
129	L	89.3	Confident	88.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-70.7	-36.9	178.2	-175.9	63.5	0	0	0	112.3	N126 Y154 V284 N285 D288 L301	N126-L129 HydrophobicContact CB-CB 4.35Å; N126-L129 VanDerWaalsContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CB 3.35Å; N126-L129 PolarHBondContact O-N 2.99Å; L129-Y154 VanDerWaalsContact CD2-CB 3.42Å; L129-Y154 HydrophobicContact CD2-CD1 4.24Å; L129-Y154 HydrophobicContact CD2-CD2 3.91Å; L129-Y154 HydrophobicContact CD2-CG 3.58Å; L129-V284 HydrophobicContact CD1-CB 4.38Å; L129-V284 HydrophobicContact CD1-CG1 3.83Å; L129-N285 HydrophobicContact CD1-CB 4.2Å; L129-N285 HydrophobicContact CD2-CB 3.81Å; L129-D288 HydrophobicContact CD1-CB 4.44Å; L129-L301 WeakPolarHBondContact O-CB 3.28Å; L129-L301 PolarHBondContact O-N 3.08Å
130	L	88.9	Confident	88.1	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.9	-174.9	-54.8	-178	0	0	0	109.7	Y134 H152 K281 L301 L454	L130-Y134 HydrophobicContact CB-CG 4.43Å; L130-Y134 HydrophobicContact CD1-CD1 4.46Å; L130-Y134 HydrophobicContact CD2-CD2 4.24Å; L130-Y134 HydrophobicContact CD2-CE2 4.25Å; L130-Y134 HydrophobicContact CD2-CG 4.45Å; L130-H152 HydrophobicContact CD1-CB 3.89Å; L130-K281 HydrophobicContact CD2-CG 4.48Å; L130-L301 HydrophobicContact CD2-CB 3.96Å; L130-L301 HydrophobicContact CD2-CD2 3.89Å; L130-L301 HydrophobicContact CD2-CG 4.32Å; L130-L454 HydrophobicContact CB-CB 3.84Å; L130-L454 HydrophobicContact CB-CD2 3.68Å; L130-L454 HydrophobicContact CB-CG 4.39Å; L130-L454 HydrophobicContact CD1-CD2 3.54Å; L130-L454 HydrophobicContact CG-CD2 4.25Å; L130-L454 WeakPolarHBondContact O-CB 3.46Å; L130-L454 PolarHBondContact O-N 2.84Å; L130-L454 VanDerWaalsContact O-N 3.16Å
131	S	84.8	Confident	88	Confident	8 Å²	8	34.1 Å²	34.1	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	153.6	175.7	171.1	0	0	0	0	112	D133 Y134 L301 N452 L454	S131-D133 PolarHBondContact O-N 3.13Å; S131-D133 PolarHBondContact OG-N 2.79Å; S131-Y134 WeakPolarHBondContact O-CB 3.46Å; S131-Y134 PolarHBondContact O-N 3.15Å; S131-L301 PolarHBondContact N-O 3Å; S131-N452 CarbonylContact C-O 3.57Å; S131-N452 WeakPolarHBondContact CA-O 3.23Å; S131-L454 WeakPolarHBondContact O-CB 3.5Å; S131-L454 WeakPolarHBondContact O-CD1 3.24Å
132	S	74.6	Confident	87.7	Confident	39 Å²	39	36.5 Å²	36.5	27%	0.273	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	-37.7	172.2	58.3	0	0	0	0	113.4	Y134 N452 K453 L454	S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.04Å; S132-N452 PolarHBondContact N-O 2.96Å; S132-N452 WeakPolarHBondContact OG-CB 3.21Å; S132-K453 VanDerWaalsContact CA-C 3.49Å; S132-K453 VanDerWaalsContact CA-O 3.23Å; S132-K453 WeakPolarHBondContact CA-O 3.4Å; S132-K453 WeakPolarHBondContact CB-O 3.46Å; S132-L454 WeakPolarHBondContact O-CD1 3.2Å
133	D	79.8	Confident	87.9	Confident	105 Å²	105	41.5 Å²	41.5	56%	0.561	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	21.4	-178.5	-67.7	-63.8	0	0	0	112.3	S131 V135	S131-D133 PolarHBondContact O-N 3.13Å; S131-D133 PolarHBondContact OG-N 2.79Å; D133-V135 PolarHBondContact O-N 3.08Å
134	Y	88.7	Confident	88.2	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.1	179.8	176.2	-105.5	0	0	0	111.7	L130 S131 S132 E136 G149 K281 L301 V302 V304 L454	L130-Y134 HydrophobicContact CB-CG 4.43Å; L130-Y134 HydrophobicContact CD1-CD1 4.46Å; L130-Y134 HydrophobicContact CD2-CD2 4.24Å; L130-Y134 HydrophobicContact CD2-CE2 4.25Å; L130-Y134 HydrophobicContact CD2-CG 4.45Å; S131-Y134 WeakPolarHBondContact O-CB 3.46Å; S131-Y134 PolarHBondContact O-N 3.15Å; S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.04Å; Y134-E136 HydrophobicContact CD1-CG 4.44Å; Y134-E136 HydrophobicContact CE1-CG 3.44Å; Y134-E136 VanDerWaalsContact CE1-CG 3.44Å; Y134-E136 WeakPolarHBondContact CE1-OE1 3.45Å; Y134-E136 WeakPolarHBondContact OH-CG 3Å; Y134-G149 WeakPolarHBondContact CD1-O 3Å; Y134-G149 PolarHBondContact O-N 3.35Å; Y134-K281 VanDerWaalsContact CZ-CE 3.49Å; Y134-K281 WeakPolarHBondContact OH-CE 3.07Å; Y134-L301 HydrophobicContact CD2-CG 4.35Å; Y134-L301 WeakPolarHBondContact CD2-O 3.47Å; Y134-L301 HydrophobicContact CE2-CD2 3.96Å; Y134-L301 HydrophobicContact CE2-CG 3.82Å; Y134-V302 WeakPolarHBondContact CA-O 3.01Å; Y134-V304 HydrophobicContact CE2-CG2 4.09Å; Y134-V304 WeakPolarHBondContact OH-CB 3.37Å; Y134-V304 WeakPolarHBondContact OH-CG2 3.42Å; Y134-L454 HydrophobicContact CD1-CD2 3.83Å; Y134-L454 HydrophobicContact CG-CD2 4.22Å
135	V	91.4	Very high	88.5	Confident	13 Å²	13	44 Å²	44	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.4	179.7	-69.9	0	0	0	0	112.6	D133 I137 K148 V302 A303 V304 Q336	D133-V135 PolarHBondContact O-N 3.08Å; V135-I137 HydrophobicContact CG2-CD1 4.37Å; V135-I137 HydrophobicContact CG2-CG1 4.39Å; V135-K148 HydrophobicContact CG1-CG 4.09Å; V135-V302 PolarHBondContact N-O 3.34Å; V135-A303 HydrophobicContact CG2-CB 3.65Å; V135-A303 VanDerWaalsContact O-CA 3.24Å; V135-A303 WeakPolarHBondContact O-CA 3.39Å; V135-V304 PolarHBondContact O-N 3.37Å; V135-Q336 HydrophobicContact CG2-CG 3.77Å
136	E	93.4	Very high	89	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.4	169.5	-62.3	-179	174.7	0	0	109.1	Y134 L146 S147 R277 K281 V304	Y134-E136 HydrophobicContact CD1-CG 4.44Å; Y134-E136 HydrophobicContact CE1-CG 3.44Å; Y134-E136 VanDerWaalsContact CE1-CG 3.44Å; Y134-E136 WeakPolarHBondContact CE1-OE1 3.45Å; Y134-E136 WeakPolarHBondContact OH-CG 3Å; E136-L146 WeakPolarHBondContact O-CA 3.5Å; E136-S147 PolarHBondContact N-O 2.98Å; E136-S147 PolarHBondContact O-N 2.63Å; E136-R277 VanDerWaalsContact CD-CD 3.49Å; E136-R277 WeakPolarHBondContact OE2-CD 3.44Å; E136-R277 IonicContact OE2-CZ 3.58Å; E136-R277 VanDerWaalsContact OE2-CZ 3.31Å; E136-R277 IonicContact OE2-NE 2.99Å; E136-R277 PolarHBondContact OE2-NE 2.01Å; E136-R277 IonicContact OE2-NH1 3.7Å; E136-R277 PolarHBondContact OE2-NH1 3.07Å; E136-K281 WeakPolarHBondContact OE1-CE 3.41Å; E136-K281 IonicContact OE1-NZ 3.63Å; E136-K281 PolarHBondContact OE1-NZ 2.79Å; E136-V304 CarbonylContact C-O 3.57Å; E136-V304 WeakPolarHBondContact CA-O 3.23Å
137	I	95.1	Very high	89	Confident	8 Å²	8	49 Å²	49	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.5	-174.6	-48.8	176.4	0	0	0	108.6	V135 P144 V145 L146 M259 V304 E305 I306 Q336	V135-I137 HydrophobicContact CG2-CD1 4.37Å; V135-I137 HydrophobicContact CG2-CG1 4.39Å; I137-P144 HydrophobicContact CG2-CB 4.15Å; I137-V145 WeakPolarHBondContact CA-O 3.45Å; I137-L146 HydrophobicContact CG1-CD2 4.48Å; I137-L146 HydrophobicContact CG1-CG 4.23Å; I137-M259 HydrophobicContact CD1-CE 4.27Å; I137-V304 PolarHBondContact N-O 2.95Å; I137-E305 HydrophobicContact CB-CB 4.14Å; I137-E305 HydrophobicContact CB-CG 4.06Å; I137-E305 HydrophobicContact CG2-CG 4.13Å; I137-E305 CarbonylContact O-C 3.56Å; I137-E305 WeakPolarHBondContact O-CA 3.4Å; I137-I306 PolarHBondContact O-N 3.1Å; I137-Q336 HydrophobicContact CD1-CG 4.43Å
138	H	95	Very high	89	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	171.7	170	69.9	-95	0	0	0	110.6	E140 P144 V145 K273 T308	H138-E140 IonicContact CD2-OE1 3.64Å; H138-E140 IonicContact CE1-OE1 3.89Å; H138-E140 IonicContact NE2-OE1 3.92Å; H138-E140 PolarHBondContact NE2-OE1 3.15Å; H138-P144 CarbonylContact O-C 3.59Å; H138-P144 WeakPolarHBondContact O-CA 3.42Å; H138-V145 PolarHBondContact N-O 2.02Å; H138-V145 PolarHBondContact O-N 3.01Å; H138-K273 HydrophobicContact CB-CD 4.18Å; H138-K273 PolarHBondContact CD2-NZ 2.82Å; H138-K273 VanDerWaalsContact CD2-NZ 3.27Å; H138-K273 PolarHBondContact NE2-NZ 3.04Å; H138-K273 VanDerWaalsContact NE2-NZ 3.17Å; H138-T308 HydrophobicContact CB-CG2 3.99Å
139	Y	94.4	Very high	88.6	Confident	23 Å²	23	54.1 Å²	54.1	9%	0.09	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.8	-177.6	-67.5	-98.3	0	0	0	111.8	K143 P144 E305 W307 T308 H312 Y329	Y139-K143 WeakPolarHBondContact CA-O 3.2Å; Y139-P144 HydrophobicContact CD1-CB 4.39Å; Y139-P144 HydrophobicContact CE1-CB 3.95Å; Y139-E305 HydrophobicContact CE2-CG 4.14Å; Y139-E305 PolarHBondContact OH-OE1 3.02Å; Y139-E305 VanDerWaalsContact OH-OE1 3.1Å; Y139-W307 AromaticContact CE2-CD1 3.92Å; Y139-T308 WeakPolarHBondContact CA-OG1 3.45Å; Y139-T308 WeakPolarHBondContact CB-OG1 3.02Å; Y139-T308 PolarHBondContact N-OG1 3.29Å; Y139-T308 PolarHBondContact O-OG1 3.02Å; Y139-H312 AromaticContact CD1-NE2 3.87Å; Y139-H312 AromaticContact CE1-CE1 3.56Å; Y139-H312 AromaticContact CE1-NE2 3.62Å; Y139-H312 AromaticContact CE2-NE2 3.85Å; Y139-H312 AromaticContact CZ-CE1 3.79Å; Y139-H312 AromaticContact CZ-NE2 3.61Å; Y139-Y329 PolarHBondContact OH-OH 3.17Å
140	E	93.7	Very high	88	Confident	97 Å²	97	54.7 Å²	54.7	45%	0.453	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.9	170.2	-65.7	-179.1	-176.4	0	0	108.2	H138 G142 K143 V145 K273	H138-E140 IonicContact CD2-OE1 3.64Å; H138-E140 IonicContact CE1-OE1 3.89Å; H138-E140 IonicContact NE2-OE1 3.92Å; H138-E140 PolarHBondContact NE2-OE1 3.15Å; E140-G142 PolarHBondContact O-N 3.32Å; E140-K143 PolarHBondContact N-O 3.18Å; E140-K143 PolarHBondContact O-N 2.77Å; E140-V145 HydrophobicContact CB-CG2 4.1Å; E140-V145 HydrophobicContact CG-CG2 4.12Å; E140-K273 IonicContact OE1-NZ 3.39Å; E140-K273 PolarHBondContact OE1-NZ 3.01Å
141	E	91.5	Very high	87.7	Confident	194 Å²	194	56 Å²	56	91%	0.907	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.8	-176.7	-55.6	-175.7	168.1	0	0	113.3	K143 D309	E141-K143 VanDerWaalsContact C-N 3.29Å; E141-K143 PolarHBondContact O-N 3.22Å; E141-D309 PolarHBondContact N-OD2 3.25Å
142	G	87.6	Confident	87.7	Confident	49 Å²	49	55.9 Å²	55.9	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	5.2	179.8	0	0	0	0	0	115	E140 D309	E140-G142 PolarHBondContact O-N 3.32Å; G142-D309 WeakPolarHBondContact CA-OD2 3.47Å; G142-D309 PolarHBondContact N-OD2 2.91Å
143	K	91.3	Very high	88.3	Confident	151 Å²	151	54 Å²	54	66%	0.657	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.6	175.6	-67	179.9	-177.4	172.1	0	111	Y139 E140 E141 V145	Y139-K143 WeakPolarHBondContact CA-O 3.2Å; E140-K143 PolarHBondContact N-O 3.18Å; E140-K143 PolarHBondContact O-N 2.77Å; E141-K143 VanDerWaalsContact C-N 3.29Å; E141-K143 PolarHBondContact O-N 3.22Å; K143-V145 PolarHBondContact O-N 2.97Å
144	P	93.2	Very high	88.9	Confident	72 Å²	72	49 Å²	49	47%	0.468	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.6	174.9	30.1	-33.4	0	0	0	110.1	I137 H138 Y139 L146	I137-P144 HydrophobicContact CG2-CB 4.15Å; H138-P144 CarbonylContact O-C 3.59Å; H138-P144 WeakPolarHBondContact O-CA 3.42Å; Y139-P144 HydrophobicContact CD1-CB 4.39Å; Y139-P144 HydrophobicContact CE1-CB 3.95Å; P144-L146 HydrophobicContact CB-CD1 4.31Å
145	V	93.4	Very high	89	Confident	52 Å²	52	49 Å²	49	32%	0.315	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123	171.2	-179.1	0	0	0	0	106.8	I137 H138 E140 K143	I137-V145 WeakPolarHBondContact CA-O 3.45Å; H138-V145 PolarHBondContact N-O 2.02Å; H138-V145 PolarHBondContact O-N 3.01Å; E140-V145 HydrophobicContact CB-CG2 4.1Å; E140-V145 HydrophobicContact CG-CG2 4.12Å; K143-V145 PolarHBondContact O-N 2.97Å
146	L	91.9	Very high	89.1	Confident	96 Å²	96	49.5 Å²	49.5	50%	0.503	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.5	-179.1	-67.6	85.2	0	0	0	109.3	E136 I137 P144	E136-L146 WeakPolarHBondContact O-CA 3.5Å; I137-L146 HydrophobicContact CG1-CD2 4.48Å; I137-L146 HydrophobicContact CG1-CG 4.23Å; P144-L146 HydrophobicContact CB-CD1 4.31Å
147	S	87.6	Confident	89	Confident	32 Å²	32	49.9 Å²	49.9	22%	0.224	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.7	167.8	-174	0	0	0	0	107.8	E136	E136-S147 PolarHBondContact N-O 2.98Å; E136-S147 PolarHBondContact O-N 2.63Å
148	K	81.6	Confident	88.8	Confident	150 Å²	150	53.8 Å²	53.8	65%	0.652	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.7	168.8	-76	-167.9	170.1	-159.2	0	109.3	V135	V135-K148 HydrophobicContact CG1-CG 4.09Å
149	G	73	Confident	88.7	Confident	7 Å²	7	53 Å²	53	7%	0.072	28%	0.282	C	S	.	.			trans	78.5	-166.1	-178.6	0	0	0	0	0	113.3	Y134	Y134-G149 WeakPolarHBondContact CD1-O 3Å; Y134-G149 PolarHBondContact O-N 3.35Å
150	G	76.3	Confident	88.5	Confident	13 Å²	13	56.8 Å²	56.8	13%	0.134	30%	0.296	C	S	.	.			trans	166.5	168.9	179.6	0	0	0	0	0	110.5	Q101 F455	Q101-G150 PolarHBondContact NE2-O 2.04Å; G150-F455 VanDerWaalsContact O-CZ 3.28Å; G150-F455 WeakPolarHBondContact O-CZ 3.47Å
151	E	82.8	Confident	88.1	Confident	30 Å²	30	55.8 Å²	55.8	14%	0.14	31%	0.311	C	S	.	.			trans	-70.8	134.4	170.9	-173.1	176.6	-149.8	0	0	110	R90 H104 Q274 K281	R90-E151 IonicContact CZ-OE1 3.97Å; R90-E151 VanDerWaalsContact CZ-OE1 3.26Å; R90-E151 IonicContact NE-OE1 3.85Å; R90-E151 PolarHBondContact NE-OE1 2.93Å; R90-E151 VanDerWaalsContact NE-OE1 3.08Å; R90-E151 IonicContact NH2-OE1 3.04Å; R90-E151 PolarHBondContact NH2-OE1 3.15Å; H104-E151 IonicContact CE1-OE1 3.71Å; H104-E151 WeakPolarHBondContact NE2-CG 3.32Å; H104-E151 IonicContact NE2-OE1 2.74Å; H104-E151 PolarHBondContact NE2-OE1 3.36Å; E151-Q274 PolarHBondContact OE2-NE2 3.38Å; E151-K281 PolarHBondContact O-NZ 3.29Å
152	H	84.9	Confident	87.9	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.019	29%	0.286	C	S	.	.			trans	-129.6	104.7	179.1	-178.1	59.4	0	0	0	110.9	H104 N126 L130 Y154 F455	H104-H152 PolarHBondContact CD2-O 3.07Å; N126-H152 PolarHBondContact O-CE1 3.39Å; N126-H152 PolarHBondContact O-NE2 3.2Å; L130-H152 HydrophobicContact CD1-CB 3.89Å; H152-Y154 AromaticContact ND1-CD2 3.69Å; H152-F455 HydrophobicContact CB-CD2 3.95Å; H152-F455 HydrophobicContact CB-CE1 4.27Å; H152-F455 HydrophobicContact CB-CE2 2.95Å; H152-F455 HydrophobicContact CB-CZ 3.14Å; H152-F455 AromaticContact CD2-CD2 3.81Å; H152-F455 AromaticContact CD2-CE2 3.64Å; H152-F455 AromaticContact CG-CE2 3.45Å; H152-F455 VanDerWaalsContact CG-CE2 3.45Å
153	C	88.6	Confident	87.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.			trans	-131.8	26.1	-170.5	65.6	0	0	0	0	109.3	Y155 S170 T171 C172	C153-Y155 VanDerWaalsContact C-CD2 3.49Å; C153-Y155 WeakPolarHBondContact O-CD2 3.45Å; C153-Y155 VanDerWaalsContact O-CE2 3.24Å; C153-Y155 WeakPolarHBondContact O-CE2 3.26Å; C153-S170 CarbonylContact O-C 3.49Å; C153-S170 VanDerWaalsContact O-CA 3.32Å; C153-S170 WeakPolarHBondContact O-CA 3.31Å; C153-S170 PolarHBondContact SG-OG 3.26Å; C153-T171 PolarHBondContact O-N 3.18Å; C153-T171 PolarHBondContact O-OG1 3Å; C153-C172 HydrophobicContact CB-CB 3.94Å; C153-C172 WeakPolarHBondContact CB-SG 3.33Å; C153-C172 WeakPolarHBondContact SG-CA 3.45Å; C153-C172 WeakPolarHBondContact SG-CB 3.28Å; C153-C172 PolarHBondContact SG-N 3.33Å; C153-C172 CovalentContact SG-SG 1.99Å; C153-C172 PolarHBondContact SG-SG 3.43Å
154	Y	91.9	Very high	86.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	-169.6	-58.4	-87.7	0	0	0	108.6	N126 L129 H152 L169 N278 K281 N285	N126-Y154 WeakPolarHBondContact CB-O 3.42Å; N126-Y154 PolarHBondContact N-O 3.47Å; L129-Y154 VanDerWaalsContact CD2-CB 3.42Å; L129-Y154 HydrophobicContact CD2-CD1 4.24Å; L129-Y154 HydrophobicContact CD2-CD2 3.91Å; L129-Y154 HydrophobicContact CD2-CG 3.58Å; H152-Y154 AromaticContact ND1-CD2 3.69Å; Y154-L169 CarbonylContact C-O 3.55Å; Y154-L169 WeakPolarHBondContact CA-O 3.31Å; Y154-N278 WeakPolarHBondContact OH-CA 3.18Å; Y154-N278 PolarHBondContact OH-O 2.9Å; Y154-N278 PolarHBondContact OH-OD1 3.01Å; Y154-K281 HydrophobicContact CD1-CB 4.35Å; Y154-K281 HydrophobicContact CD2-CB 4.42Å; Y154-K281 HydrophobicContact CE1-CB 3.58Å; Y154-K281 HydrophobicContact CE2-CB 3.69Å; Y154-K281 HydrophobicContact CE2-CD 3.56Å; Y154-K281 HydrophobicContact CE2-CG 4.21Å; Y154-K281 VanDerWaalsContact OH-CB 3.28Å; Y154-K281 WeakPolarHBondContact OH-CB 3.35Å; Y154-K281 WeakPolarHBondContact OH-CD 3.27Å; Y154-N285 HydrophobicContact CD1-CB 4.18Å
155	Y	90.8	Very high	86.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.4	-169.4	-63.2	-107.4	0	0	0	110.3	T89 H104 L105 A108 L123 T124 L125 C153 A168 L169 T171 N285	T89-Y155 WeakPolarHBondContact CB-OH 3.35Å; T89-Y155 PolarHBondContact OG1-OH 3.45Å; H104-Y155 WeakPolarHBondContact CB-OH 3.03Å; L105-Y155 VanDerWaalsContact O-CE1 3.3Å; L105-Y155 WeakPolarHBondContact O-CE1 3.5Å; L105-Y155 PolarHBondContact O-OH 2.88Å; A108-Y155 HydrophobicContact CB-CE1 4.47Å; L123-Y155 HydrophobicContact CB-CD1 3.85Å; L123-Y155 HydrophobicContact CB-CG 4.13Å; L123-Y155 HydrophobicContact CD1-CG 4.4Å; T124-Y155 VanDerWaalsContact C-CD1 3.44Å; T124-Y155 VanDerWaalsContact O-CA 3.27Å; T124-Y155 WeakPolarHBondContact O-CA 3.12Å; T124-Y155 WeakPolarHBondContact O-CB 3.31Å; L125-Y155 HydrophobicContact CB-CD1 4.15Å; L125-Y155 HydrophobicContact CB-CE1 3.93Å; L125-Y155 HydrophobicContact CD1-CD1 4.24Å; L125-Y155 HydrophobicContact CD1-CD2 4.18Å; L125-Y155 HydrophobicContact CD1-CE1 3.81Å; L125-Y155 HydrophobicContact CD1-CE2 3.71Å; L125-Y155 HydrophobicContact CD1-CG 4.4Å; L125-Y155 VanDerWaalsContact CD1-CZ 3.5Å; L125-Y155 HydrophobicContact CG-CE1 4.49Å; C153-Y155 VanDerWaalsContact C-CD2 3.49Å; C153-Y155 WeakPolarHBondContact O-CD2 3.45Å; C153-Y155 VanDerWaalsContact O-CE2 3.24Å; C153-Y155 WeakPolarHBondContact O-CE2 3.26Å; Y155-A168 CarbonylContact O-C 3.58Å; Y155-A168 WeakPolarHBondContact O-CA 3.3Å; Y155-L169 PolarHBondContact N-O 3.4Å; Y155-L169 PolarHBondContact O-N 2.51Å; Y155-T171 HydrophobicContact CD2-CG2 3.9Å; Y155-T171 HydrophobicContact CE2-CG2 3.7Å; Y155-T171 WeakPolarHBondContact CE2-OG1 3.22Å; Y155-N285 PolarHBondContact O-ND2 3.38Å
156	H	93.1	Very high	86	Confident	24 Å²	24	49.5 Å²	49.5	11%	0.111	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.3	160.9	-69.6	170.5	0	0	0	109.6	L123 T124 N126 V167 N285 D288	L123-H156 WeakPolarHBondContact CA-O 3.36Å; T124-H156 PolarHBondContact N-O 3.21Å; T124-H156 PolarHBondContact O-N 3.47Å; N126-H156 PolarHBondContact ND2-CE1 2.98Å; N126-H156 PolarHBondContact ND2-NE2 3.45Å; H156-V167 CarbonylContact C-O 3.54Å; H156-V167 WeakPolarHBondContact CA-O 3.05Å; H156-N285 PolarHBondContact NE2-O 3.46Å; H156-N285 PolarHBondContact NE2-OD1 2.81Å; H156-D288 IonicContact CE1-OD2 3.6Å; H156-D288 PolarHBondContact CE1-OD2 3.3Å; H156-D288 VanDerWaalsContact CE1-OD2 3.22Å
157	G	90.9	Very high	86	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-164.2	-179.3	0	0	0	0	0	113.5	D122 V167	D122-G157 WeakPolarHBondContact O-CA 2.68Å; G157-V167 PolarHBondContact N-O 3.05Å; G157-V167 PolarHBondContact O-N 3.28Å
158	Q	91.3	Very high	86.2	Confident	91 Å²	91	43.8 Å²	43.8	43%	0.425	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.6	-179.6	-63.2	-170.1	-35.9	0	0	110.7	D122 D163 S165	D122-Q158 PolarHBondContact N-O 2.93Å; D122-Q158 PolarHBondContact O-N 3.35Å; Q158-D163 PolarHBondContact NE2-O 2.88Å; Q158-S165 WeakPolarHBondContact CG-O 3.45Å
159	V	92.9	Very high	86.8	Confident	11 Å²	11	36.7 Å²	36.7	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.6	165.6	-176	0	0	0	0	107.7	F119 V120 L121 G161 E162 S165 V167 F179 D180	F119-V159 HydrophobicContact CD1-CG1 4.31Å; V120-V159 CarbonylContact O-C 3.56Å; V120-V159 WeakPolarHBondContact O-CA 3.4Å; L121-V159 HydrophobicContact CD2-CG2 3.8Å; V159-G161 PolarHBondContact O-N 3.01Å; V159-E162 HydrophobicContact CB-CB 4.29Å; V159-E162 PolarHBondContact O-N 2.89Å; V159-S165 WeakPolarHBondContact CB-OG 3.39Å; V159-S165 PolarHBondContact N-OG 2.03Å; V159-S165 PolarHBondContact O-OG 3.4Å; V159-V167 HydrophobicContact CG2-CG2 4.25Å; V159-F179 HydrophobicContact CG2-CD2 3.87Å; V159-D180 WeakPolarHBondContact CG2-O 2.97Å
160	R	89.7	Confident	87.7	Confident	102 Å²	102	36.6 Å²	36.6	39%	0.385	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	122	-175.7	-171.2	179.1	-68.7	-178.1	-3.2	111.5	E81 V120 D122	E81-R160 IonicContact OE1-CZ 2.86Å; E81-R160 IonicContact OE1-NH1 3.88Å; E81-R160 PolarHBondContact OE1-NH1 2.74Å; E81-R160 IonicContact OE1-NH2 3.37Å; E81-R160 PolarHBondContact OE1-NH2 3.47Å; E81-R160 IonicContact OE2-CZ 3.53Å; E81-R160 IonicContact OE2-NH1 2.91Å; E81-R160 PolarHBondContact OE2-NH1 3.3Å; V120-R160 HydrophobicContact CB-CB 3.94Å; V120-R160 HydrophobicContact CG1-CB 4.11Å; V120-R160 PolarHBondContact O-N 2.88Å; D122-R160 IonicContact OD1-CZ 3.51Å; D122-R160 IonicContact OD1-NE 2.88Å; D122-R160 PolarHBondContact OD1-NE 3.37Å; D122-R160 IonicContact OD1-NH2 2.63Å; D122-R160 PolarHBondContact OD1-NH2 2.73Å; D122-R160 WeakPolarHBondContact OD2-CB 3.44Å; D122-R160 WeakPolarHBondContact OD2-CG 2.99Å; D122-R160 IonicContact OD2-CZ 2.91Å; D122-R160 IonicContact OD2-NE 2.69Å; D122-R160 PolarHBondContact OD2-NE 2.99Å; D122-R160 IonicContact OD2-NH2 3.39Å
161	G	86.7	Confident	88.3	Confident	75 Å²	75	36.1 Å²	36.1	77%	0.773	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	6.6	179.2	0	0	0	0	0	114.7	V159	V159-G161 PolarHBondContact O-N 3.01Å
162	E	86.8	Confident	88.5	Confident	80 Å²	80	35.1 Å²	35.1	37%	0.374	20%	0.198	S	C	.	.			trans	-124.2	98.7	175.7	-169.2	62.7	-132.5	0	0	109.7	V159 D164 S165	V159-E162 HydrophobicContact CB-CB 4.29Å; V159-E162 PolarHBondContact O-N 2.89Å; E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 3.46Å; E162-S165 VanDerWaalsContact O-CB 3.3Å; E162-S165 WeakPolarHBondContact O-CB 3.19Å; E162-S165 PolarHBondContact O-N 2.85Å; E162-S165 PolarHBondContact O-OG 3.08Å
163	D	78.3	Confident	88.5	Confident	137 Å²	137	38.5 Å²	38.5	73%	0.733	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-28.7	-170.4	-65.2	-30.3	0	0	0	113.3	Q158 S165	Q158-D163 PolarHBondContact NE2-O 2.88Å; D163-S165 VanDerWaalsContact C-N 3.28Å; D163-S165 PolarHBondContact O-N 2.87Å
164	D	76	Confident	88.4	Confident	110 Å²	110	38.9 Å²	38.9	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	8.2	178.5	-69.7	-36.6	0	0	0	112.9	E162	E162-D164 VanDerWaalsContact C-N 3.31Å; E162-D164 PolarHBondContact O-N 3.46Å
165	S	86.1	Confident	88.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.			trans	-85.6	151.2	179.4	67.9	0	0	0	0	112.6	Q158 V159 E162 D163 D180	Q158-S165 WeakPolarHBondContact CG-O 3.45Å; V159-S165 WeakPolarHBondContact CB-OG 3.39Å; V159-S165 PolarHBondContact N-OG 2.03Å; V159-S165 PolarHBondContact O-OG 3.4Å; E162-S165 VanDerWaalsContact O-CB 3.3Å; E162-S165 WeakPolarHBondContact O-CB 3.19Å; E162-S165 PolarHBondContact O-N 2.85Å; E162-S165 PolarHBondContact O-OG 3.08Å; D163-S165 VanDerWaalsContact C-N 3.28Å; D163-S165 PolarHBondContact O-N 2.87Å; S165-D180 WeakPolarHBondContact CB-O 2.98Å
166	N	86	Confident	88.3	Confident	59 Å²	59	40.4 Å²	40.4	32%	0.316	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.8	174.5	-68.4	-72.4	0	0	0	111	F179 D180 E293	N166-F179 CarbonylContact O-C 3.46Å; N166-F179 WeakPolarHBondContact O-CA 3.48Å; N166-D180 PolarHBondContact O-N 3.19Å; N166-E293 PolarHBondContact ND2-OE2 2.76Å
167	V	91.4	Very high	88.1	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.9	177.1	-172.3	0	0	0	0	109.5	L121 L123 H156 G157 V159 L169 F179	L121-V167 HydrophobicContact CB-CG2 4.47Å; L121-V167 HydrophobicContact CD1-CG1 4.37Å; L121-V167 HydrophobicContact CD2-CG2 4.13Å; L123-V167 HydrophobicContact CD2-CB 3.83Å; L123-V167 HydrophobicContact CD2-CG1 3.33Å; L123-V167 HydrophobicContact CD2-CG2 4.36Å; H156-V167 CarbonylContact C-O 3.54Å; H156-V167 WeakPolarHBondContact CA-O 3.05Å; G157-V167 PolarHBondContact N-O 3.05Å; G157-V167 PolarHBondContact O-N 3.28Å; V159-V167 HydrophobicContact CG2-CG2 4.25Å; V167-L169 HydrophobicContact CG1-CD1 3.58Å; V167-L169 HydrophobicContact CG1-CG 3.58Å; V167-F179 HydrophobicContact CB-CB 4.09Å; V167-F179 HydrophobicContact CG1-CB 3.91Å; V167-F179 HydrophobicContact CG2-CB 3.74Å
168	A	92.3	Very high	87.9	Confident	3 Å²	3	39.1 Å²	39.1	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	111	169.9	0	0	0	0	0	109.1	Y155 M178 F286 A289	Y155-A168 CarbonylContact O-C 3.58Å; Y155-A168 WeakPolarHBondContact O-CA 3.3Å; A168-M178 CarbonylContact C-O 3.57Å; A168-M178 PolarHBondContact N-O 3.33Å; A168-M178 PolarHBondContact O-N 3.12Å; A168-M178 VanDerWaalsContact O-O 3.05Å; A168-F286 HydrophobicContact CB-CD1 3.55Å; A168-F286 HydrophobicContact CB-CE1 3.84Å; A168-F286 WeakPolarHBondContact O-CE1 3.27Å; A168-A289 HydrophobicContact CB-CB 4.35Å
169	L	92.9	Very high	87.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.5	-171.1	-67.2	177.4	0	0	0	112.3	L121 L123 Y154 Y155 V167 G177 I188	L121-L169 HydrophobicContact CD1-CD1 3.58Å; L123-L169 HydrophobicContact CD1-CB 4.28Å; L123-L169 HydrophobicContact CD1-CD1 3.93Å; L123-L169 HydrophobicContact CD2-CD1 4.35Å; Y154-L169 CarbonylContact C-O 3.55Å; Y154-L169 WeakPolarHBondContact CA-O 3.31Å; Y155-L169 PolarHBondContact N-O 3.4Å; Y155-L169 PolarHBondContact O-N 2.51Å; V167-L169 HydrophobicContact CG1-CD1 3.58Å; V167-L169 HydrophobicContact CG1-CG 3.58Å; L169-G177 VanDerWaalsContact CD2-C 3.5Å; L169-I188 HydrophobicContact CD2-CG2 3.42Å; L169-I188 VanDerWaalsContact CD2-CG2 3.42Å
170	S	92	Very high	87.5	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139	164	-179.4	0	0	0	0	109.3	C153 C172 L175 H176	C153-S170 CarbonylContact O-C 3.49Å; C153-S170 VanDerWaalsContact O-CA 3.32Å; C153-S170 WeakPolarHBondContact O-CA 3.31Å; C153-S170 PolarHBondContact SG-OG 3.26Å; S170-C172 PolarHBondContact OG-N 3.44Å; S170-L175 WeakPolarHBondContact O-CA 3.49Å; S170-H176 WeakPolarHBondContact CB-O 3.33Å; S170-H176 PolarHBondContact N-O 2.91Å; S170-H176 PolarHBondContact O-N 3.42Å
171	T	90.1	Very high	87.1	Confident	3 Å²	3	31 Å²	31	2%	0.018	18%	0.183	C	C	.	.			trans	-110	1.3	173.3	68	0	0	0	0	113.1	T89 F110 C153 Y155 N173 G174 L175	T89-T171 HydrophobicContact CG2-CG2 4.03Å; T89-T171 PolarHBondContact OG1-OG1 3.1Å; F110-T171 HydrophobicContact CE2-CG2 4.1Å; F110-T171 HydrophobicContact CZ-CG2 4Å; C153-T171 PolarHBondContact O-N 3.18Å; C153-T171 PolarHBondContact O-OG1 3Å; Y155-T171 HydrophobicContact CD2-CG2 3.9Å; Y155-T171 HydrophobicContact CE2-CG2 3.7Å; Y155-T171 WeakPolarHBondContact CE2-OG1 3.22Å; T171-N173 PolarHBondContact O-N 3.36Å; T171-N173 VanDerWaalsContact O-N 3.08Å; T171-G174 CarbonylContact C-O 3.58Å; T171-G174 WeakPolarHBondContact CA-O 3.34Å; T171-L175 HydrophobicContact CG2-CD2 3.98Å
172	C	86.5	Confident	86.6	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.054	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.8	-173.2	-83.2	0	0	0	0	113.2	R90 C153 S170	R90-C172 PolarHBondContact NH2-O 2.8Å; C153-C172 HydrophobicContact CB-CB 3.94Å; C153-C172 WeakPolarHBondContact CB-SG 3.33Å; C153-C172 WeakPolarHBondContact SG-CA 3.45Å; C153-C172 WeakPolarHBondContact SG-CB 3.28Å; C153-C172 PolarHBondContact SG-N 3.33Å; C153-C172 CovalentContact SG-SG 1.99Å; C153-C172 PolarHBondContact SG-SG 3.43Å; S170-C172 PolarHBondContact OG-N 3.44Å
173	N	84.5	Confident	86	Confident	75 Å²	75	28.5 Å²	28.5	40%	0.401	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146	62.2	-178.5	-172.8	9.8	0	0	0	110.8	T171 P190 R202	T171-N173 PolarHBondContact O-N 3.36Å; T171-N173 VanDerWaalsContact O-N 3.08Å; N173-P190 WeakPolarHBondContact O-CG 3.22Å; N173-R202 PolarHBondContact O-NH1 2.85Å; N173-R202 PolarHBondContact O-NH2 3.48Å; N173-R202 VanDerWaalsContact OD1-CZ 3.3Å; N173-R202 PolarHBondContact OD1-NH1 2.83Å; N173-R202 PolarHBondContact OD1-NH2 3.34Å
174	G	87.3	Confident	86.1	Confident	9 Å²	9	25.3 Å²	25.3	9%	0.093	14%	0.137	C	C	.	.	S	Bend	trans	79.7	179.4	-167.8	0	0	0	0	0	111.3	T171 H176	T171-G174 CarbonylContact C-O 3.58Å; T171-G174 WeakPolarHBondContact CA-O 3.34Å; G174-H176 PolarHBondContact O-N 3.27Å
175	L	90.4	Very high	86.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.			trans	-77.3	113	179.6	-62.9	-175.5	0	0	0	109.6	P69 L87 F110 S170 T171 I188 P190 H204	P69-L175 HydrophobicContact CB-CD1 3.6Å; P69-L175 HydrophobicContact CG-CD1 3.93Å; P69-L175 HydrophobicContact CG-CG 4.5Å; L87-L175 HydrophobicContact CD1-CG 4.33Å; F110-L175 HydrophobicContact CB-CD1 4.05Å; F110-L175 HydrophobicContact CD1-CD1 3.94Å; F110-L175 HydrophobicContact CD1-CD2 3.97Å; F110-L175 HydrophobicContact CD1-CG 4.37Å; F110-L175 HydrophobicContact CD2-CD2 4.13Å; F110-L175 HydrophobicContact CE1-CD2 3.85Å; F110-L175 HydrophobicContact CE2-CD2 4.02Å; F110-L175 HydrophobicContact CG-CD1 3.97Å; F110-L175 HydrophobicContact CG-CD2 4.09Å; F110-L175 HydrophobicContact CZ-CD2 3.87Å; S170-L175 WeakPolarHBondContact O-CA 3.49Å; T171-L175 HydrophobicContact CG2-CD2 3.98Å; L175-I188 HydrophobicContact CB-CD1 3.83Å; L175-I188 HydrophobicContact CB-CG1 4.38Å; L175-I188 HydrophobicContact CB-CG2 4.43Å; L175-I188 HydrophobicContact CD1-CD1 4.13Å; L175-P190 WeakPolarHBondContact O-CD 3.27Å; L175-H204 PolarHBondContact N-NE2 3.11Å; L175-H204 PolarHBondContact O-CD2 3.1Å
176	H	89.6	Confident	86.4	Confident	32 Å²	32	21 Å²	21	15%	0.148	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.6	175.5	175.1	-105.1	0	0	0	109.2	S170 G174 I188 P190 S282 T377	S170-H176 WeakPolarHBondContact CB-O 3.33Å; S170-H176 PolarHBondContact N-O 2.91Å; S170-H176 PolarHBondContact O-N 3.42Å; G174-H176 PolarHBondContact O-N 3.27Å; H176-I188 WeakPolarHBondContact CA-O 3.02Å; H176-P190 HydrophobicContact CB-CG 4.47Å; H176-S282 PolarHBondContact ND1-OG 2.81Å; H176-T377 PolarHBondContact CE1-OG1 2.72Å; H176-T377 PolarHBondContact NE2-OG1 2.03Å; H176-T377 VanDerWaalsContact NE2-OG1 3.11Å
177	G	88.5	Confident	86.4	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-143.8	170.8	0	0	0	0	0	113.2	L169 L187 I188 F286	L169-G177 VanDerWaalsContact CD2-C 3.5Å; G177-L187 WeakPolarHBondContact O-CD1 3.02Å; G177-I188 PolarHBondContact N-O 2.85Å; G177-I188 WeakPolarHBondContact O-CG2 2.96Å; G177-I188 PolarHBondContact O-N 3.06Å; G177-F286 VanDerWaalsContact C-CZ 3.47Å
178	M	87.6	Confident	86.4	Confident	13 Å²	13	18.9 Å²	18.9	6%	0.064	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.4	-176.6	86.5	-179.2	64.4	0	0	112.7	A168 Y186 F286 W378	A168-M178 CarbonylContact C-O 3.57Å; A168-M178 PolarHBondContact N-O 3.33Å; A168-M178 PolarHBondContact O-N 3.12Å; A168-M178 VanDerWaalsContact O-O 3.05Å; M178-Y186 CarbonylContact C-O 3.48Å; M178-Y186 WeakPolarHBondContact CA-O 3.27Å; M178-F286 HydrophobicContact CB-CE1 3.76Å; M178-F286 HydrophobicContact CB-CZ 3.98Å; M178-F286 HydrophobicContact CE-CB 3.99Å; M178-F286 HydrophobicContact CE-CD1 3.4Å; M178-F286 VanDerWaalsContact CE-CD1 3.4Å; M178-F286 HydrophobicContact CE-CD2 3.88Å; M178-F286 HydrophobicContact CE-CE1 3.49Å; M178-F286 VanDerWaalsContact CE-CE1 3.49Å; M178-F286 HydrophobicContact CE-CE2 3.94Å; M178-F286 HydrophobicContact CE-CG 3.56Å; M178-F286 HydrophobicContact CE-CZ 3.69Å; M178-F286 HydrophobicContact CG-CD1 3.97Å; M178-F286 HydrophobicContact CG-CE1 3.48Å; M178-F286 VanDerWaalsContact CG-CE1 3.48Å; M178-F286 HydrophobicContact CG-CZ 4.15Å; M178-F286 VanDerWaalsContact N-CE1 3.32Å; M178-F286 HydrophobicContact SD-CD1 4.18Å; M178-F286 HydrophobicContact SD-CE1 4.17Å; M178-W378 HydrophobicContact CB-CE3 4.25Å; M178-W378 HydrophobicContact CB-CZ3 3.94Å; M178-W378 HydrophobicContact CE-CD2 3.89Å; M178-W378 HydrophobicContact CE-CE3 3.24Å; M178-W378 HydrophobicContact CE-CH2 4.12Å; M178-W378 HydrophobicContact CE-CZ3 3.37Å; M178-W378 HydrophobicContact CG-CZ3 4.06Å; M178-W378 HydrophobicContact SD-CE3 3.68Å; M178-W378 HydrophobicContact SD-CH2 3.62Å; M178-W378 HydrophobicContact SD-CZ3 3.08Å; M178-W378 WeakPolarHBondContact SD-CZ3 3.37Å
179	F	89.3	Confident	86.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.4	161.8	64.9	-83.2	0	0	0	110.4	L112 F119 L121 V159 N166 V167 Y186 L206	L112-F179 HydrophobicContact CD1-CZ 4.08Å; L112-F179 HydrophobicContact CD2-CE1 4.05Å; L112-F179 HydrophobicContact CD2-CZ 4.25Å; F119-F179 HydrophobicContact CB-CE2 4.31Å; F119-F179 HydrophobicContact CB-CZ 4.49Å; F119-F179 AromaticContact CD1-CE2 3.84Å; F119-F179 HydrophobicContact CD1-CE2 3.84Å; F119-F179 HydrophobicContact CD2-CE2 4.45Å; F119-F179 HydrophobicContact CD2-CZ 4.38Å; F119-F179 HydrophobicContact CE1-CE2 4.27Å; F119-F179 AromaticContact CG-CE2 3.94Å; F119-F179 HydrophobicContact CG-CE2 3.94Å; F119-F179 HydrophobicContact CG-CZ 4.22Å; L121-F179 HydrophobicContact CD1-CD1 3.88Å; L121-F179 HydrophobicContact CD1-CE1 4.15Å; L121-F179 HydrophobicContact CD1-CG 4.25Å; L121-F179 HydrophobicContact CD2-CB 4.33Å; L121-F179 HydrophobicContact CD2-CD1 4.25Å; L121-F179 HydrophobicContact CD2-CD2 3.78Å; L121-F179 HydrophobicContact CD2-CE2 4.09Å; L121-F179 HydrophobicContact CD2-CG 3.88Å; L121-F179 HydrophobicContact CD2-CZ 4.46Å; V159-F179 HydrophobicContact CG2-CD2 3.87Å; N166-F179 CarbonylContact O-C 3.46Å; N166-F179 WeakPolarHBondContact O-CA 3.48Å; V167-F179 HydrophobicContact CB-CB 4.09Å; V167-F179 HydrophobicContact CG1-CB 3.91Å; V167-F179 HydrophobicContact CG2-CB 3.74Å; F179-Y186 AromaticContact CD2-CD2 3.59Å; F179-Y186 HydrophobicContact CD2-CD2 3.59Å; F179-Y186 HydrophobicContact CD2-CE2 4.34Å; F179-Y186 HydrophobicContact CD2-CG 4.15Å; F179-Y186 VanDerWaalsContact CE1-CB 3.46Å; F179-Y186 HydrophobicContact CE1-CD2 4.49Å; F179-Y186 HydrophobicContact CE1-CG 4.09Å; F179-Y186 HydrophobicContact CE2-CD1 4.4Å; F179-Y186 AromaticContact CE2-CD2 3.23Å; F179-Y186 HydrophobicContact CE2-CD2 3.23Å; F179-Y186 AromaticContact CE2-CE2 3.82Å; F179-Y186 HydrophobicContact CE2-CE2 3.82Å; F179-Y186 AromaticContact CE2-CG 3.56Å; F179-Y186 HydrophobicContact CE2-CG 3.56Å; F179-Y186 HydrophobicContact CG-CD2 4.35Å; F179-Y186 VanDerWaalsContact CZ-CB 3.44Å; F179-Y186 HydrophobicContact CZ-CD1 4.16Å; F179-Y186 AromaticContact CZ-CD2 3.74Å; F179-Y186 HydrophobicContact CZ-CD2 3.74Å; F179-Y186 AromaticContact CZ-CG 3.51Å; F179-Y186 HydrophobicContact CZ-CG 3.51Å; F179-Y186 PolarHBondContact N-O 2.82Å; F179-Y186 PolarHBondContact O-N 3.24Å; F179-L206 HydrophobicContact CE1-CD1 3.96Å; F179-L206 HydrophobicContact CZ-CD1 4.41Å; F179-L206 HydrophobicContact CZ-CD2 4.47Å
180	D	85.3	Confident	86	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.5	167.3	73.6	102.2	0	0	0	111.9	V159 S165 N166 G182 Y184 V185 R425	V159-D180 WeakPolarHBondContact CG2-O 2.97Å; S165-D180 WeakPolarHBondContact CB-O 2.98Å; N166-D180 PolarHBondContact O-N 3.19Å; D180-G182 PolarHBondContact OD1-N 3.41Å; D180-G182 VanDerWaalsContact OD1-N 3.13Å; D180-Y184 WeakPolarHBondContact CA-O 3.43Å; D180-Y184 WeakPolarHBondContact CB-O 3.23Å; D180-V185 HydrophobicContact CB-CG2 4.46Å; D180-R425 VanDerWaalsContact CB-NH2 3.32Å; D180-R425 IonicContact OD1-NH2 2.81Å; D180-R425 IonicContact OD2-CZ 2.87Å; D180-R425 IonicContact OD2-NH1 3.65Å; D180-R425 PolarHBondContact OD2-NH1 2.89Å; D180-R425 IonicContact OD2-NH2 2.79Å; D180-R425 PolarHBondContact OD2-NH2 2.03Å
181	D	82.8	Confident	85.7	Confident	25 Å²	25	25.2 Å²	25.2	13%	0.134	14%	0.136	C	C	.	.			trans	-111	23.7	178.4	64.9	2.9	0	0	0	111.6	F119 L183 Y184 Y186	F119-D181 HydrophobicContact CE1-CB 4.24Å; D181-L183 PolarHBondContact O-N 3.25Å; D181-L183 VanDerWaalsContact O-N 3.1Å; D181-L183 WeakPolarHBondContact OD1-CA 3.27Å; D181-L183 PolarHBondContact OD1-N 3.41Å; D181-Y184 PolarHBondContact N-O 2.82Å; D181-Y184 VanDerWaalsContact N-O 3.12Å; D181-Y184 PolarHBondContact OD1-N 2.02Å; D181-Y186 HydrophobicContact CB-CE2 4.13Å; D181-Y186 WeakPolarHBondContact OD2-CE2 3.32Å; D181-Y186 PolarHBondContact OD2-OH 2.85Å
182	G	74.8	Confident	84.7	Confident	18 Å²	18	34.3 Å²	34.3	19%	0.186	18%	0.178	C	C	.	.	S	Bend	trans	76.6	-20.7	-172.5	0	0	0	0	0	115.1	D180	D180-G182 PolarHBondContact OD1-N 3.41Å; D180-G182 VanDerWaalsContact OD1-N 3.13Å
183	L	75.4	Confident	83.5	Confident	85 Å²	85	38.6 Å²	38.6	45%	0.445	20%	0.198	S	C	.	.	S	Bend	trans	-114	-29.3	-178.9	-65.4	178.7	0	0	0	113.6	D181 P210 T211 Q213	D181-L183 PolarHBondContact O-N 3.25Å; D181-L183 VanDerWaalsContact O-N 3.1Å; D181-L183 WeakPolarHBondContact OD1-CA 3.27Å; D181-L183 PolarHBondContact OD1-N 3.41Å; L183-P210 CarbonylContact O-C 3.35Å; L183-T211 VanDerWaalsContact C-CB 3.42Å; L183-T211 WeakPolarHBondContact O-CA 3.02Å; L183-T211 PolarHBondContact O-N 2.78Å; L183-Q213 HydrophobicContact CD2-CG 3.95Å
184	Y	79.7	Confident	81.8	Confident	70 Å²	70	41 Å²	41	28%	0.275	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.4	-177.9	-68.2	-87	0	0	0	110.6	D180 D181 Y186 R208 R209 P210 T211	D180-Y184 WeakPolarHBondContact CA-O 3.43Å; D180-Y184 WeakPolarHBondContact CB-O 3.23Å; D181-Y184 PolarHBondContact N-O 2.82Å; D181-Y184 VanDerWaalsContact N-O 3.12Å; D181-Y184 PolarHBondContact OD1-N 2.02Å; Y184-Y186 WeakPolarHBondContact CB-OH 3.37Å; Y184-Y186 WeakPolarHBondContact O-CD2 3.46Å; Y184-Y186 VanDerWaalsContact O-CE2 3.28Å; Y184-Y186 WeakPolarHBondContact O-CE2 3.06Å; Y184-R208 HydrophobicContact CD1-CG 4.37Å; Y184-R209 CarbonylContact C-O 2.97Å; Y184-R209 VanDerWaalsContact CA-O 3.22Å; Y184-R209 WeakPolarHBondContact CA-O 3.27Å; Y184-P210 HydrophobicContact CD1-CB 4.35Å; Y184-P210 HydrophobicContact CD1-CG 4.38Å; Y184-P210 HydrophobicContact CE1-CB 4.22Å; Y184-P210 HydrophobicContact CE1-CG 4.03Å; Y184-T211 VanDerWaalsContact CA-OG1 3.23Å; Y184-T211 WeakPolarHBondContact CA-OG1 3.36Å; Y184-T211 PolarHBondContact N-OG1 3.04Å; Y184-T211 PolarHBondContact O-OG1 2.9Å
185	V	80.8	Confident	79.9	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.7	170.3	-173.1	0	0	0	0	108.6	D180 R208 R209 T211 W378 R425	D180-V185 HydrophobicContact CB-CG2 4.46Å; V185-R208 CarbonylContact O-C 3.54Å; V185-R208 VanDerWaalsContact O-CA 3.22Å; V185-R208 WeakPolarHBondContact O-CA 3.41Å; V185-R209 PolarHBondContact N-O 3.05Å; V185-R209 PolarHBondContact O-N 3.37Å; V185-T211 WeakPolarHBondContact CG2-OG1 3Å; V185-T211 PolarHBondContact N-OG1 3.07Å; V185-T211 VanDerWaalsContact N-OG1 3.13Å; V185-W378 HydrophobicContact CB-CH2 4.38Å; V185-W378 HydrophobicContact CG1-CE3 4.31Å; V185-W378 HydrophobicContact CG1-CH2 3.25Å; V185-W378 HydrophobicContact CG1-CZ2 4.42Å; V185-W378 HydrophobicContact CG1-CZ3 3.19Å; V185-W378 HydrophobicContact CG2-CH2 4.42Å; V185-R425 VanDerWaalsContact CG2-CZ 3.44Å
186	Y	86.9	Confident	77.8	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.3	178.9	-54.4	-90.5	0	0	0	110.1	F115 F119 M178 F179 D181 Y184 L206 R207 R208	F115-Y186 HydrophobicContact CD2-CD1 4.18Å; F115-Y186 AromaticContact CD2-CE1 3.76Å; F115-Y186 HydrophobicContact CD2-CE1 3.76Å; F115-Y186 AromaticContact CE2-CD1 3.92Å; F115-Y186 HydrophobicContact CE2-CD1 3.92Å; F115-Y186 AromaticContact CE2-CE1 3.94Å; F115-Y186 HydrophobicContact CE2-CE1 3.94Å; F119-Y186 HydrophobicContact CE1-CE2 4.03Å; F119-Y186 AromaticContact CE1-CZ 3.87Å; F119-Y186 HydrophobicContact CE2-CE1 4.34Å; F119-Y186 AromaticContact CZ-CE1 3.93Å; F119-Y186 HydrophobicContact CZ-CE1 3.93Å; F119-Y186 HydrophobicContact CZ-CE2 4.13Å; F119-Y186 AromaticContact CZ-CZ 3.52Å; F119-Y186 VanDerWaalsContact CZ-OH 3.3Å; F119-Y186 WeakPolarHBondContact CZ-OH 3.4Å; M178-Y186 CarbonylContact C-O 3.48Å; M178-Y186 WeakPolarHBondContact CA-O 3.27Å; F179-Y186 AromaticContact CD2-CD2 3.59Å; F179-Y186 HydrophobicContact CD2-CD2 3.59Å; F179-Y186 HydrophobicContact CD2-CE2 4.34Å; F179-Y186 HydrophobicContact CD2-CG 4.15Å; F179-Y186 VanDerWaalsContact CE1-CB 3.46Å; F179-Y186 HydrophobicContact CE1-CD2 4.49Å; F179-Y186 HydrophobicContact CE1-CG 4.09Å; F179-Y186 HydrophobicContact CE2-CD1 4.4Å; F179-Y186 AromaticContact CE2-CD2 3.23Å; F179-Y186 HydrophobicContact CE2-CD2 3.23Å; F179-Y186 AromaticContact CE2-CE2 3.82Å; F179-Y186 HydrophobicContact CE2-CE2 3.82Å; F179-Y186 AromaticContact CE2-CG 3.56Å; F179-Y186 HydrophobicContact CE2-CG 3.56Å; F179-Y186 HydrophobicContact CG-CD2 4.35Å; F179-Y186 VanDerWaalsContact CZ-CB 3.44Å; F179-Y186 HydrophobicContact CZ-CD1 4.16Å; F179-Y186 AromaticContact CZ-CD2 3.74Å; F179-Y186 HydrophobicContact CZ-CD2 3.74Å; F179-Y186 AromaticContact CZ-CG 3.51Å; F179-Y186 HydrophobicContact CZ-CG 3.51Å; F179-Y186 PolarHBondContact N-O 2.82Å; F179-Y186 PolarHBondContact O-N 3.24Å; D181-Y186 HydrophobicContact CB-CE2 4.13Å; D181-Y186 WeakPolarHBondContact OD2-CE2 3.32Å; D181-Y186 PolarHBondContact OD2-OH 2.85Å; Y184-Y186 WeakPolarHBondContact CB-OH 3.37Å; Y184-Y186 WeakPolarHBondContact O-CD2 3.46Å; Y184-Y186 VanDerWaalsContact O-CE2 3.28Å; Y184-Y186 WeakPolarHBondContact O-CE2 3.06Å; Y186-L206 HydrophobicContact CD1-CD2 4.01Å; Y186-L206 HydrophobicContact CD1-CG 4.31Å; Y186-R207 WeakPolarHBondContact CA-O 3.43Å; Y186-R208 HydrophobicContact CD1-CB 3.61Å; Y186-R208 HydrophobicContact CE1-CB 3.61Å
187	L	86.8	Confident	76.1	Confident	20 Å²	20	56.6 Å²	56.6	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.9	168.8	177.6	73.3	0	0	0	108.3	G177 E189 L206 R207	G177-L187 WeakPolarHBondContact O-CD1 3.02Å; L187-E189 HydrophobicContact CD2-CG 4.41Å; L187-E189 HydrophobicContact CG-CG 4.22Å; L187-L206 WeakPolarHBondContact O-CA 3.29Å; L187-R207 PolarHBondContact N-O 2.04Å; L187-R207 PolarHBondContact O-N 3.46Å
188	I	90.4	Very high	74.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.1	177.6	-168.9	168.2	0	0	0	110.3	L112 L169 L175 H176 G177 H204 S205 L206	L112-I188 HydrophobicContact CD2-CD1 4.25Å; L169-I188 HydrophobicContact CD2-CG2 3.42Å; L169-I188 VanDerWaalsContact CD2-CG2 3.42Å; L175-I188 HydrophobicContact CB-CD1 3.83Å; L175-I188 HydrophobicContact CB-CG1 4.38Å; L175-I188 HydrophobicContact CB-CG2 4.43Å; L175-I188 HydrophobicContact CD1-CD1 4.13Å; H176-I188 WeakPolarHBondContact CA-O 3.02Å; G177-I188 PolarHBondContact N-O 2.85Å; G177-I188 WeakPolarHBondContact O-CG2 2.96Å; G177-I188 PolarHBondContact O-N 3.06Å; I188-H204 HydrophobicContact CD1-CB 4.04Å; I188-H204 HydrophobicContact CG1-CB 3.82Å; I188-S205 WeakPolarHBondContact CA-O 3.42Å; I188-L206 HydrophobicContact CB-CD1 3.66Å; I188-L206 HydrophobicContact CD1-CD1 4.39Å; I188-L206 HydrophobicContact CG1-CD1 4.08Å
189	E	89.3	Confident	72.5	Confident	44 Å²	44	69.1 Å²	69.1	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.8	178	-62	-179.4	130.8	0	0	110.1	L187 H204 S205 R207	L187-E189 HydrophobicContact CD2-CG 4.41Å; L187-E189 HydrophobicContact CG-CG 4.22Å; E189-H204 CarbonylContact O-C 3.53Å; E189-H204 WeakPolarHBondContact O-CA 3.46Å; E189-S205 PolarHBondContact N-O 3.44Å; E189-S205 PolarHBondContact O-N 3.22Å; E189-R207 IonicContact OE2-CZ 2.82Å; E189-R207 IonicContact OE2-NH1 3.85Å; E189-R207 PolarHBondContact OE2-NH1 3.02Å; E189-R207 IonicContact OE2-NH2 2.64Å
190	P	88.9	Confident	71.2	Confident	35 Å²	35	71.7 Å²	71.7	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.1	176	29.4	-33.2	0	0	0	110.5	N173 L175 H176	N173-P190 WeakPolarHBondContact O-CG 3.22Å; L175-P190 WeakPolarHBondContact O-CD 3.27Å; H176-P190 HydrophobicContact CB-CG 4.47Å
191	L	84.8	Confident	70.5	Confident	64 Å²	64	72.3 Å²	72.3	34%	0.335	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-76.7	149.6	172.6	-66	171.8	0	0	0	111	I66 Q193 P203	I66-L191 HydrophobicContact CD1-CD1 3.87Å; I66-L191 HydrophobicContact CG2-CD1 4.24Å; L191-Q193 PolarHBondContact O-N 3.43Å; L191-P203 HydrophobicContact CB-CG 4.26Å; L191-P203 HydrophobicContact CD1-CB 3.75Å; L191-P203 HydrophobicContact CD1-CG 4.02Å; L191-P203 PolarHBondContact N-O 3.48Å; L191-P203 VanDerWaalsContact N-O 3.12Å
192	Q	68.9	Low	70.4	Confident	193 Å²	193	73.5 Å²	73.5	90%	0.902	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-69.5	117.1	172	-72.9	-174.4	-8.3	0	0	109.5
193	Q	61.9	Low	71.1	Confident	99 Å²	99	74 Å²	74	46%	0.463	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-81.1	126.4	174.1	-73.4	179.5	-14.2	0	0	109.7	L191	L191-Q193 PolarHBondContact O-N 3.43Å
194	T	49.1	Very low	71.9	Confident	125 Å²	125	70 Å²	70	77%	0.767	38%	0.379	S	S	*	.	S	Bend	trans	-89.8	-12	173.1	47.3	0	0	0	0	112.9
195	H	46.7	Very low	72.4	Confident	159 Å²	159	66.9 Å²	66.9	74%	0.736	37%	0.367	S	S	*	.	S	Bend	trans	-144.7	126.8	178.5	-66.3	-71.2	0	0	0	111.7	I197	H195-I197 PolarHBondContact O-N 3.06Å
196	S	47.3	Very low	72.9	Confident	98 Å²	98	66 Å²	66	69%	0.685	36%	0.362	S	S	*	.			trans	-78.3	108.1	177.3	55.1	0	0	0	0	110.7
197	I	52	Low	73	Confident	111 Å²	111	70.4 Å²	70.4	57%	0.569	38%	0.379	S	S	*	.			trans	-115.4	104.8	152.8	-63	168.1	0	0	0	104.7	H195 T199 A200	H195-I197 PolarHBondContact O-N 3.06Å; I197-T199 WeakPolarHBondContact CG2-OG1 3.01Å; I197-T199 PolarHBondContact O-N 3.12Å; I197-A200 HydrophobicContact CB-CB 4.14Å; I197-A200 HydrophobicContact CG2-CB 4.12Å; I197-A200 PolarHBondContact O-N 3.25Å; I197-A200 VanDerWaalsContact O-N 3.11Å
198	D	50.5	Low	72.9	Confident	160 Å²	160	71.6 Å²	71.6	86%	0.856	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	0.7	-173.9	-65.6	-32.1	0	0	0	114.3
199	T	51.4	Low	72.1	Confident	118 Å²	118	76.1 Å²	76.1	72%	0.724	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-2.9	-178.7	52.2	0	0	0	0	114.2	I197	I197-T199 WeakPolarHBondContact CG2-OG1 3.01Å; I197-T199 PolarHBondContact O-N 3.12Å
200	A	62.2	Low	71.1	Confident	53 Å²	53	76 Å²	76	44%	0.438	40%	0.402	S	S	.	.	S	Bend	trans	-89.9	140.4	-178.4	0	0	0	0	0	111.8	I197 R202	I197-A200 HydrophobicContact CB-CB 4.14Å; I197-A200 HydrophobicContact CG2-CB 4.12Å; I197-A200 PolarHBondContact O-N 3.25Å; I197-A200 VanDerWaalsContact O-N 3.11Å; A200-R202 PolarHBondContact O-N 3.49Å
201	A	70.1	Confident	69.7	Low	22 Å²	22	75.8 Å²	75.8	18%	0.182	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-56.4	123.8	175.8	0	0	0	0	0	110.9	Y68 H85 P203	Y68-A201 HydrophobicContact CD1-CB 3.78Å; Y68-A201 WeakPolarHBondContact CD1-O 3.35Å; Y68-A201 HydrophobicContact CG-CB 4.36Å; H85-A201 HydrophobicContact CB-CB 4.26Å; A201-P203 WeakPolarHBondContact O-CD 3.23Å
202	R	81.2	Confident	68.4	Low	50 Å²	50	75.9 Å²	75.9	19%	0.189	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-73.6	122	-178.6	-179.1	170.8	-176.2	176.4	-0.8	110.2	L87 N173 A200 H204	L87-R202 HydrophobicContact CD1-CB 4.44Å; N173-R202 PolarHBondContact O-NH1 2.85Å; N173-R202 PolarHBondContact O-NH2 3.48Å; N173-R202 VanDerWaalsContact OD1-CZ 3.3Å; N173-R202 PolarHBondContact OD1-NH1 2.83Å; N173-R202 PolarHBondContact OD1-NH2 3.34Å; A200-R202 PolarHBondContact O-N 3.49Å; R202-H204 PolarHBondContact O-CE1 3.14Å; R202-H204 PolarHBondContact O-ND1 3.44Å
203	P	89.2	Confident	67.4	Low	28 Å²	28	73.2 Å²	73.2	18%	0.182	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-73.4	140.3	179.6	29	-33.4	0	0	0	111.3	I66 Y68 L191 A201	I66-P203 HydrophobicContact CG2-CB 3.91Å; Y68-P203 HydrophobicContact CD1-CB 4.24Å; Y68-P203 HydrophobicContact CE1-CB 3.66Å; Y68-P203 HydrophobicContact CE1-CG 4.4Å; L191-P203 HydrophobicContact CB-CG 4.26Å; L191-P203 HydrophobicContact CD1-CB 3.75Å; L191-P203 HydrophobicContact CD1-CG 4.02Å; L191-P203 PolarHBondContact N-O 3.48Å; L191-P203 VanDerWaalsContact N-O 3.12Å; A201-P203 WeakPolarHBondContact O-CD 3.23Å
204	H	91.6	Very high	66.4	Low	0 Å²	0	76 Å²	76	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.2	176.7	-67.3	69	0	0	0	109.9	I66 T67 P69 L87 L175 I188 E189 R202	I66-H204 CarbonylContact C-O 3.58Å; I66-H204 WeakPolarHBondContact CA-O 3.25Å; T67-H204 HydrophobicContact CG2-CB 4.13Å; T67-H204 PolarHBondContact N-O 3.13Å; T67-H204 PolarHBondContact O-N 3.25Å; P69-H204 VanDerWaalsContact CD-ND1 3.27Å; P69-H204 WeakPolarHBondContact CD-ND1 3.38Å; P69-H204 HydrophobicContact CG-CB 4.39Å; P69-H204 WeakPolarHBondContact CG-ND1 3.46Å; L87-H204 WeakPolarHBondContact CD1-CE1 3.48Å; L175-H204 PolarHBondContact N-NE2 3.11Å; L175-H204 PolarHBondContact O-CD2 3.1Å; I188-H204 HydrophobicContact CD1-CB 4.04Å; I188-H204 HydrophobicContact CG1-CB 3.82Å; E189-H204 CarbonylContact O-C 3.53Å; E189-H204 WeakPolarHBondContact O-CA 3.46Å; R202-H204 PolarHBondContact O-CE1 3.14Å; R202-H204 PolarHBondContact O-ND1 3.44Å
205	S	91.4	Very high	65.8	Low	5 Å²	5	75.9 Å²	75.9	4%	0.035	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.8	167.6	178.6	0	0	0	0	108.3	H64 I188 E189	H64-S205 PolarHBondContact CD2-OG 2.98Å; H64-S205 PolarHBondContact NE2-OG 2.96Å; I188-S205 WeakPolarHBondContact CA-O 3.42Å; E189-S205 PolarHBondContact N-O 3.44Å; E189-S205 PolarHBondContact O-N 3.22Å
206	L	91	Very high	65.3	Low	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.8	172.5	-161.7	71.1	0	0	0	109.3	H64 V65 T67 L112 A114 F115 F179 Y186 L187 I188	H64-L206 WeakPolarHBondContact CA-O 3.29Å; V65-L206 PolarHBondContact N-O 2.91Å; V65-L206 PolarHBondContact O-N 3.48Å; T67-L206 HydrophobicContact CG2-CB 4.07Å; L112-L206 HydrophobicContact CD1-CD2 3.86Å; A114-L206 HydrophobicContact CB-CD2 3.31Å; F115-L206 HydrophobicContact CD2-CD2 4.19Å; F115-L206 HydrophobicContact CE2-CB 4.43Å; F115-L206 HydrophobicContact CE2-CD2 3.71Å; F115-L206 HydrophobicContact CE2-CG 4.02Å; F179-L206 HydrophobicContact CE1-CD1 3.96Å; F179-L206 HydrophobicContact CZ-CD1 4.41Å; F179-L206 HydrophobicContact CZ-CD2 4.47Å; Y186-L206 HydrophobicContact CD1-CD2 4.01Å; Y186-L206 HydrophobicContact CD1-CG 4.31Å; L187-L206 WeakPolarHBondContact O-CA 3.29Å; I188-L206 HydrophobicContact CB-CD1 3.66Å; I188-L206 HydrophobicContact CD1-CD1 4.39Å; I188-L206 HydrophobicContact CG1-CD1 4.08Å
207	R	87.8	Confident	64.7	Low	95 Å²	95	75.2 Å²	75.2	36%	0.358	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.4	174.9	-65.3	178.3	-177.2	130.3	6.4	108.8	E63 Y186 L187 E189	E63-R207 WeakPolarHBondContact O-CA 3.39Å; Y186-R207 WeakPolarHBondContact CA-O 3.43Å; L187-R207 PolarHBondContact N-O 2.04Å; L187-R207 PolarHBondContact O-N 3.46Å; E189-R207 IonicContact OE2-CZ 2.82Å; E189-R207 IonicContact OE2-NH1 3.85Å; E189-R207 PolarHBondContact OE2-NH1 3.02Å; E189-R207 IonicContact OE2-NH2 2.64Å
208	R	84.9	Confident	63.9	Low	45 Å²	45	79.5 Å²	79.5	17%	0.17	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147	174.2	77.7	173.9	176.3	179.6	-0.8	113.4	E63 F115 Y184 V185 Y186	E63-R208 HydrophobicContact CB-CG 4.02Å; E63-R208 PolarHBondContact O-N 2.84Å; E63-R208 IonicContact OE1-NH2 3.59Å; E63-R208 IonicContact OE2-CZ 3.37Å; E63-R208 IonicContact OE2-NE 2.9Å; E63-R208 PolarHBondContact OE2-NE 2.94Å; E63-R208 IonicContact OE2-NH2 3.22Å; E63-R208 PolarHBondContact OE2-NH2 2.8Å; F115-R208 HydrophobicContact CD1-CG 4.11Å; F115-R208 HydrophobicContact CD2-CB 4.3Å; F115-R208 HydrophobicContact CD2-CG 4.24Å; F115-R208 HydrophobicContact CE1-CB 4.42Å; F115-R208 HydrophobicContact CE1-CG 3.73Å; F115-R208 HydrophobicContact CE2-CB 3.7Å; F115-R208 HydrophobicContact CE2-CG 3.85Å; F115-R208 HydrophobicContact CG-CG 4.36Å; F115-R208 HydrophobicContact CZ-CB 3.79Å; F115-R208 HydrophobicContact CZ-CG 3.6Å; Y184-R208 HydrophobicContact CD1-CG 4.37Å; V185-R208 CarbonylContact O-C 3.54Å; V185-R208 VanDerWaalsContact O-CA 3.22Å; V185-R208 WeakPolarHBondContact O-CA 3.41Å; Y186-R208 HydrophobicContact CD1-CB 3.61Å; Y186-R208 HydrophobicContact CE1-CB 3.61Å
209	R	74.4	Confident	63.4	Low	94 Å²	94	77.6 Å²	77.6	36%	0.355	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.8	172.1	-66.3	-65.1	-164.7	163.5	7.8	109	A62 Y184 V185 T211	A62-R209 VanDerWaalsContact CB-NE 3.32Å; Y184-R209 CarbonylContact C-O 2.97Å; Y184-R209 VanDerWaalsContact CA-O 3.22Å; Y184-R209 WeakPolarHBondContact CA-O 3.27Å; V185-R209 PolarHBondContact N-O 3.05Å; V185-R209 PolarHBondContact O-N 3.37Å; R209-T211 PolarHBondContact O-N 3.27Å
210	P	68.5	Low	62.8	Low	42 Å²	42	79 Å²	79	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	131.7	176.9	-19.1	30.5	0	0	0	111.9	L183 Y184	L183-P210 CarbonylContact O-C 3.35Å; Y184-P210 HydrophobicContact CD1-CB 4.35Å; Y184-P210 HydrophobicContact CD1-CG 4.38Å; Y184-P210 HydrophobicContact CE1-CB 4.22Å; Y184-P210 HydrophobicContact CE1-CG 4.03Å
211	T	59.2	Low	61.5	Low	30 Å²	30	84.1 Å²	84.1	18%	0.184	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-82.4	160.1	161.5	-51	0	0	0	0	108.4	L183 Y184 V185 R209 R425	L183-T211 VanDerWaalsContact C-CB 3.42Å; L183-T211 WeakPolarHBondContact O-CA 3.02Å; L183-T211 PolarHBondContact O-N 2.78Å; Y184-T211 VanDerWaalsContact CA-OG1 3.23Å; Y184-T211 WeakPolarHBondContact CA-OG1 3.36Å; Y184-T211 PolarHBondContact N-OG1 3.04Å; Y184-T211 PolarHBondContact O-OG1 2.9Å; V185-T211 WeakPolarHBondContact CG2-OG1 3Å; V185-T211 PolarHBondContact N-OG1 3.07Å; V185-T211 VanDerWaalsContact N-OG1 3.13Å; R209-T211 PolarHBondContact O-N 3.27Å; T211-R425 PolarHBondContact OG1-NH2 3.28Å
212	L	57.5	Low	59.8	Low	67 Å²	67	87.4 Å²	87.4	35%	0.351	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-97.6	134	171.3	-122.5	108.8	0	0	0	111.5	D409 W411 V412	L212-D409 WeakPolarHBondContact CD2-O 3.13Å; L212-W411 HydrophobicContact CD1-CB 4Å; L212-V412 HydrophobicContact CD1-CG2 4.17Å
213	Q	47.2	Very low	58.1	Low	136 Å²	136	87.8 Å²	87.8	64%	0.636	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-62.4	131.4	170.1	-81.8	-179.6	-24.1	0	0	110.5	L183 N215	L183-Q213 HydrophobicContact CD2-CG 3.95Å; Q213-N215 PolarHBondContact O-N 2.85Å
214	R	42	Very low	55.6	Low	158 Å²	158	92.1 Å²	92.1	60%	0.596	44%	0.444	S	S	*	.			trans	-68.1	107	165.3	179.4	176.4	141.2	169.2	1	108.3	N216	R214-N216 PolarHBondContact NE-OD1 2.59Å; R214-N216 PolarHBondContact NH2-OD1 3.43Å; R214-N216 PolarHBondContact O-N 3.17Å
215	N	36.7	Very low	52.9	Low	123 Å²	123	99.6 Å²	99.6	66%	0.658	48%	0.479	S	S	*	.			trans	-67	108.7	163	-81.5	-11.6	0	0	0	106.9	Q213 D217	Q213-N215 PolarHBondContact O-N 2.85Å; N215-D217 PolarHBondContact O-N 3Å
216	N	36.1	Very low	50.2	Low	121 Å²	121	105.4 Å²	105.4	65%	0.647	51%	0.505	S	S	*	.			trans	-76.3	73	178.8	-133.5	18.1	0	0	0	108.5	R214 Q218	R214-N216 PolarHBondContact NE-OD1 2.59Å; R214-N216 PolarHBondContact NH2-OD1 3.43Å; R214-N216 PolarHBondContact O-N 3.17Å; N216-Q218 PolarHBondContact O-N 3.15Å
217	D	34	Very low	47.8	Very low	121 Å²	121	108 Å²	108	65%	0.647	52%	0.519	S	S	*	.			trans	-79	119.2	168.7	-72.5	-32.2	0	0	0	108.2	N215 E219	N215-D217 PolarHBondContact O-N 3Å; D217-E219 PolarHBondContact O-N 3.08Å
218	Q	34.7	Very low	45.6	Very low	202 Å²	202	106.6 Å²	106.6	94%	0.944	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	43.4	-178.1	-66.8	-175.3	-49.6	0	0	113.5	N216	N216-Q218 PolarHBondContact O-N 3.15Å
219	E	40.8	Very low	43.3	Very low	120 Å²	120	107.5 Å²	107.5	56%	0.561	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-2	-177.1	-74.3	-172	155	0	0	114.5	D217 L221 V222	D217-E219 PolarHBondContact O-N 3.08Å; E219-L221 VanDerWaalsContact C-N 3.27Å; E219-L221 PolarHBondContact O-N 3.04Å; E219-L221 VanDerWaalsContact O-N 3.08Å; E219-V222 PolarHBondContact O-N 3.44Å; E219-V222 VanDerWaalsContact O-N 3.13Å
220	E	39.2	Very low	41.6	Very low	148 Å²	148	110.3 Å²	110.3	69%	0.692	55%	0.548	S	S	*	.	H	α-helix	trans	-56.5	-30.3	-173.5	-89.8	179.8	159.2	0	0	115.3
221	L	33.6	Very low	40.3	Very low	159 Å²	159	109.5 Å²	109.5	83%	0.832	54%	0.542	S	S	*	.	H	α-helix	trans	-82.7	-18.7	-177.7	-80.3	158.9	0	0	0	114.2	E219	E219-L221 VanDerWaalsContact C-N 3.27Å; E219-L221 PolarHBondContact O-N 3.04Å; E219-L221 VanDerWaalsContact O-N 3.08Å
222	V	36.1	Very low	39.4	Very low	91 Å²	91	111.5 Å²	111.5	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-90.7	-26.2	-179.8	-176.1	0	0	0	0	111	E219	E219-V222 PolarHBondContact O-N 3.44Å; E219-V222 VanDerWaalsContact O-N 3.13Å
223	E	44	Very low	38.5	Very low	59 Å²	59	113.5 Å²	113.5	28%	0.276	56%	0.56	S	S	.	*	H	α-helix	trans	-75.2	-30.4	-175.2	-71.9	-168.6	148.3	0	0	114.1	E225 Q226 L227 K429	E223-E225 VanDerWaalsContact C-N 3.32Å; E223-E225 PolarHBondContact O-N 2.99Å; E223-Q226 PolarHBondContact O-N 3.47Å; E223-L227 WeakPolarHBondContact O-CB 3.04Å; E223-L227 PolarHBondContact O-N 2.82Å; E223-K429 IonicContact OE1-NZ 2.81Å; E223-K429 PolarHBondContact OE1-NZ 2.78Å; E223-K429 IonicContact OE2-NZ 2.7Å; E223-K429 PolarHBondContact OE2-NZ 2.85Å
224	E	36.8	Very low	38.3	Very low	118 Å²	118	108.3 Å²	108.3	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-38.2	177.6	-111.7	-173	166.6	0	0	112.4	L228	E224-L228 WeakPolarHBondContact O-CB 3.28Å; E224-L228 WeakPolarHBondContact O-CD1 3.24Å; E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.2Å; E224-L228 VanDerWaalsContact O-N 3.09Å
225	E	34.3	Very low	38	Very low	158 Å²	158	104.5 Å²	104.5	74%	0.738	53%	0.534	S	S	*	.	H	α-helix	trans	-70.6	-33	175.9	-106.6	174.4	162.7	0	0	112.4	E223 S229	E223-E225 VanDerWaalsContact C-N 3.32Å; E223-E225 PolarHBondContact O-N 2.99Å; E225-S229 VanDerWaalsContact O-CB 3.3Å; E225-S229 WeakPolarHBondContact O-CB 3.35Å; E225-S229 PolarHBondContact O-N 2.8Å
226	Q	36.5	Very low	38.6	Very low	126 Å²	126	102.2 Å²	102.2	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-76.6	-40.1	176.5	-86.2	176.4	-20.7	0	0	113.5	E223 S229 E230	E223-Q226 PolarHBondContact O-N 3.47Å; Q226-S229 CarbonylContact O-C 3.58Å; Q226-S229 WeakPolarHBondContact O-CA 3.27Å; Q226-S229 WeakPolarHBondContact O-CB 3.43Å; Q226-S229 PolarHBondContact O-N 3.37Å; Q226-S229 VanDerWaalsContact O-N 3.07Å; Q226-E230 PolarHBondContact O-N 3.23Å
227	L	39.4	Very low	38.8	Very low	54 Å²	54	99 Å²	99	28%	0.283	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-42	172.6	-88.2	157.3	0	0	0	111.6	E223 S229 E230 L231	E223-L227 WeakPolarHBondContact O-CB 3.04Å; E223-L227 PolarHBondContact O-N 2.82Å; L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 2.94Å; L227-E230 PolarHBondContact O-N 3.41Å; L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 WeakPolarHBondContact O-CD1 3.49Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.5Å; L227-L231 PolarHBondContact O-N 2.9Å
228	L	41.8	Very low	38.9	Very low	66 Å²	66	100 Å²	100	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-36.4	170.4	-78.7	163.4	0	0	0	111.2	E224 L231 E232	E224-L228 WeakPolarHBondContact O-CB 3.28Å; E224-L228 WeakPolarHBondContact O-CD1 3.24Å; E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.2Å; E224-L228 VanDerWaalsContact O-N 3.09Å; L228-L231 CarbonylContact O-C 3.52Å; L228-L231 PolarHBondContact O-N 2.9Å; L228-E232 WeakPolarHBondContact O-CA 3.33Å; L228-E232 WeakPolarHBondContact O-CB 3.44Å; L228-E232 WeakPolarHBondContact O-CG 3.41Å; L228-E232 PolarHBondContact O-N 2.77Å
229	S	36.9	Very low	39.2	Very low	64 Å²	64	100.7 Å²	100.7	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-68.2	-33.5	176.1	-173.9	0	0	0	0	113.8	E225 Q226 L227 E232	E225-S229 VanDerWaalsContact O-CB 3.3Å; E225-S229 WeakPolarHBondContact O-CB 3.35Å; E225-S229 PolarHBondContact O-N 2.8Å; Q226-S229 CarbonylContact O-C 3.58Å; Q226-S229 WeakPolarHBondContact O-CA 3.27Å; Q226-S229 WeakPolarHBondContact O-CB 3.43Å; Q226-S229 PolarHBondContact O-N 3.37Å; Q226-S229 VanDerWaalsContact O-N 3.07Å; L227-S229 VanDerWaalsContact C-N 3.29Å; L227-S229 PolarHBondContact O-N 2.94Å; S229-E232 WeakPolarHBondContact O-CB 3.33Å; S229-E232 PolarHBondContact O-N 3.5Å
230	E	38.5	Very low	39.5	Very low	153 Å²	153	103.1 Å²	103.1	72%	0.715	50%	0.495	S	S	*	.	H	α-helix	trans	-75	-37.4	174.2	-72.4	-169.8	158	0	0	111.8	Q226 L227 E232 D233	Q226-E230 PolarHBondContact O-N 3.23Å; L227-E230 PolarHBondContact O-N 3.41Å; E230-E232 VanDerWaalsContact C-N 3.32Å; E230-D233 PolarHBondContact O-N 3.02Å
231	L	41.5	Very low	39.3	Very low	26 Å²	26	102.9 Å²	102.9	14%	0.136	49%	0.492	C	S	.	.	H	α-helix	trans	-68.3	-30	169.7	-69.7	164.8	0	0	0	111.8	L227 L228 D233 M234 L237 L440	L227-L231 WeakPolarHBondContact O-CB 3.43Å; L227-L231 WeakPolarHBondContact O-CD1 3.49Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.5Å; L227-L231 PolarHBondContact O-N 2.9Å; L228-L231 CarbonylContact O-C 3.52Å; L228-L231 PolarHBondContact O-N 2.9Å; L231-D233 PolarHBondContact O-N 2.97Å; L231-M234 WeakPolarHBondContact O-CB 3.19Å; L231-M234 PolarHBondContact O-N 3.37Å; L231-M234 VanDerWaalsContact O-N 3.11Å; L231-L237 HydrophobicContact CB-CD1 4.1Å; L231-L237 VanDerWaalsContact O-CD1 3.27Å; L231-L237 WeakPolarHBondContact O-CD1 3.4Å; L231-L440 HydrophobicContact CD1-CD1 4.22Å
232	E	39.2	Very low	39.2	Very low	72 Å²	72	105 Å²	105	34%	0.336	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.8	176	-87.8	171.5	-174.5	0	0	113.4	L228 S229 E230 M234 K238 K241	L228-E232 WeakPolarHBondContact O-CA 3.33Å; L228-E232 WeakPolarHBondContact O-CB 3.44Å; L228-E232 WeakPolarHBondContact O-CG 3.41Å; L228-E232 PolarHBondContact O-N 2.77Å; S229-E232 WeakPolarHBondContact O-CB 3.33Å; S229-E232 PolarHBondContact O-N 3.5Å; E230-E232 VanDerWaalsContact C-N 3.32Å; E232-M234 PolarHBondContact O-N 3.46Å; E232-K238 WeakPolarHBondContact O-CE 3.39Å; E232-K241 IonicContact OE1-NZ 3.44Å; E232-K241 PolarHBondContact OE1-NZ 2.93Å
233	D	40.4	Very low	39.1	Very low	108 Å²	108	111.1 Å²	111.1	58%	0.578	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.3	174.5	-131.9	19.3	0	0	0	111.9	E230 L231 S235	E230-D233 PolarHBondContact O-N 3.02Å; L231-D233 PolarHBondContact O-N 2.97Å; D233-S235 PolarHBondContact O-N 3.29Å
234	M	42.3	Very low	38.6	Very low	28 Å²	28	112.9 Å²	112.9	14%	0.138	53%	0.532	C	S	.	.	S	Bend	trans	-83.7	96.1	168	-62.2	-71.9	-90	0	0	110.2	L231 E232 W236 L237	L231-M234 WeakPolarHBondContact O-CB 3.19Å; L231-M234 PolarHBondContact O-N 3.37Å; L231-M234 VanDerWaalsContact O-N 3.11Å; E232-M234 PolarHBondContact O-N 3.46Å; M234-W236 PolarHBondContact O-N 3.49Å; M234-L237 PolarHBondContact O-N 2.95Å
235	S	35.5	Very low	38.5	Very low	77 Å²	77	112.9 Å²	112.9	54%	0.538	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.9	-17.1	-179.6	50.1	0	0	0	0	119.2	D233	D233-S235 PolarHBondContact O-N 3.29Å
236	W	48.8	Very low	38.9	Very low	75 Å²	75	106.9 Å²	106.9	28%	0.284	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.7	178.6	60.4	-87.3	0	0	0	114.1	M234 L440	M234-W236 PolarHBondContact O-N 3.49Å; W236-L440 HydrophobicContact CH2-CB 4.15Å
237	L	41	Very low	39.6	Very low	55 Å²	55	107.9 Å²	107.9	29%	0.288	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-81.3	-15.4	177	-77.1	159.2	0	0	0	113.7	L231 M234 R239	L231-L237 HydrophobicContact CB-CD1 4.1Å; L231-L237 VanDerWaalsContact O-CD1 3.27Å; L231-L237 WeakPolarHBondContact O-CD1 3.4Å; M234-L237 PolarHBondContact O-N 2.95Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.27Å; L237-R239 VanDerWaalsContact O-N 3.12Å
238	K	36.1	Very low	40.8	Very low	142 Å²	142	107.8 Å²	107.8	62%	0.617	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-70.3	-8.4	-169.3	-70.2	-169.7	-179.9	-175.3	0	116.2	E232	E232-K238 WeakPolarHBondContact O-CE 3.39Å
239	R	40.9	Very low	42.4	Very low	216 Å²	216	105.2 Å²	105.2	82%	0.815	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-90.8	-6	-165.2	-94	-175.9	-177.4	175.7	2	117.8	L237	L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.27Å; L237-R239 VanDerWaalsContact O-N 3.12Å
240	R	46.6	Very low	44.5	Very low	171 Å²	171	103.8 Å²	103.8	65%	0.645	48%	0.479	S	S	*	.			trans	-136	13.4	-165.4	-70.6	-172.7	-179.3	165	3.1	119.2	K242	R240-K242 PolarHBondContact O-N 2.9Å
241	K	34.3	Very low	46.2	Very low	142 Å²	142	101.8 Å²	101.8	62%	0.617	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	24.6	177.1	-92.8	-172.4	177.1	179.7	0	116.6	E232	E232-K241 IonicContact OE1-NZ 3.44Å; E232-K241 PolarHBondContact OE1-NZ 2.93Å
242	K	32.9	Very low	48.1	Very low	204 Å²	204	103.1 Å²	103.1	89%	0.887	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	12.7	-174.4	-93.8	-166.1	-180	-175.2	0	117.5	R240	R240-K242 PolarHBondContact O-N 2.9Å
243	R	33.2	Very low	50.2	Low	220 Å²	220	101.6 Å²	101.6	83%	0.83	47%	0.468	S	S	*	.	S	Bend	trans	-134.6	138.2	167.2	-72.4	-177.8	176.4	169.3	-2.4	109.4	M245	R243-M245 PolarHBondContact O-N 3.25Å; R243-M245 VanDerWaalsContact O-N 3.08Å
244	A	33.7	Very low	52.6	Low	95 Å²	95	96.5 Å²	96.5	79%	0.785	44%	0.441	S	S	*	.			trans	-48.2	116	174.8	0	0	0	0	0	108.8	P246	A244-P246 WeakPolarHBondContact O-CD 3.28Å
245	M	34.2	Very low	54.9	Low	119 Å²	119	96.3 Å²	96.3	59%	0.586	44%	0.439	S	S	*	.			trans	-77	120	-178.6	-93.6	-172.8	-120.2	0	0	109.5	R243	R243-M245 PolarHBondContact O-N 3.25Å; R243-M245 VanDerWaalsContact O-N 3.08Å
246	P	43	Very low	57.8	Low	31 Å²	31	92.6 Å²	92.6	20%	0.201	41%	0.413	C	S	.	.	S	Bend	trans	-47	142.9	137.3	-24.5	18.6	0	0	0	110.7	A244 Y516	A244-P246 WeakPolarHBondContact O-CD 3.28Å; P246-Y516 HydrophobicContact CB-CE2 3.81Å; P246-Y516 WeakPolarHBondContact CD-OH 3.42Å; P246-Y516 HydrophobicContact CG-CE2 3.47Å; P246-Y516 VanDerWaalsContact CG-CE2 3.47Å; P246-Y516 WeakPolarHBondContact CG-OH 3.42Å
247	R	52.3	Low	60	Low	148 Å²	148	89.9 Å²	89.9	56%	0.558	40%	0.404	S	S	*	.			trans	-26.3	138	-170.9	-68.8	-174.9	167.1	138.7	-3.8	116.3	E251	R247-E251 VanDerWaalsContact CG-OE2 3.3Å; R247-E251 WeakPolarHBondContact CG-OE2 3.41Å
248	N	64.3	Low	62.7	Low	51 Å²	51	87.3 Å²	87.3	27%	0.273	39%	0.39	S	S	.	.			trans	-69.3	148.5	176.8	-165.2	-7.3	0	0	0	110.8	F250 E251	N248-F250 VanDerWaalsContact ND2-CD2 3.28Å; N248-F250 WeakPolarHBondContact ND2-CD2 3.37Å; N248-F250 PolarHBondContact O-N 3.36Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.3Å; N248-E251 HydrophobicContact CB-CG 4.47Å; N248-E251 PolarHBondContact O-N 2.84Å
249	V	75.4	Confident	65.6	Low	13 Å²	13	80.5 Å²	80.5	8%	0.079	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.7	178.6	67.9	0	0	0	0	113.1	K254 L440 F448 V518	V249-K254 WeakPolarHBondContact O-CE 3.49Å; V249-K254 PolarHBondContact O-NZ 2.77Å; V249-L440 HydrophobicContact CG1-CD2 4.42Å; V249-F448 HydrophobicContact CG2-CE1 3.86Å; V249-F448 HydrophobicContact CG2-CZ 3.5Å; V249-V518 HydrophobicContact CB-CG1 4.43Å; V249-V518 HydrophobicContact CG1-CG1 4.48Å
250	F	79.7	Confident	68.3	Low	34 Å²	34	70.2 Å²	70.2	15%	0.149	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-25.5	178	-51	-50.3	0	0	0	114.4	N248 K254 K436 L439 L440	N248-F250 VanDerWaalsContact ND2-CD2 3.28Å; N248-F250 WeakPolarHBondContact ND2-CD2 3.37Å; N248-F250 PolarHBondContact O-N 3.36Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.3Å; F250-K254 PolarHBondContact O-NZ 2.75Å; F250-K254 VanDerWaalsContact O-NZ 3.11Å; F250-K436 HydrophobicContact CD1-CB 4.17Å; F250-K436 HydrophobicContact CD1-CD 4.33Å; F250-K436 HydrophobicContact CD1-CG 3.69Å; F250-K436 HydrophobicContact CD2-CD 4.46Å; F250-K436 VanDerWaalsContact CE1-CA 3.49Å; F250-K436 HydrophobicContact CE1-CB 3.5Å; F250-K436 VanDerWaalsContact CE1-CB 3.5Å; F250-K436 HydrophobicContact CE1-CD 4.32Å; F250-K436 HydrophobicContact CE1-CG 3.55Å; F250-K436 WeakPolarHBondContact CE1-O 3.23Å; F250-K436 HydrophobicContact CE2-CD 4.44Å; F250-K436 HydrophobicContact CG-CD 4.4Å; F250-K436 HydrophobicContact CG-CG 4.24Å; F250-K436 HydrophobicContact CZ-CB 3.7Å; F250-K436 HydrophobicContact CZ-CD 4.33Å; F250-K436 HydrophobicContact CZ-CG 3.96Å; F250-L439 HydrophobicContact CD1-CD1 4.07Å; F250-L439 HydrophobicContact CE1-CB 4.28Å; F250-L439 HydrophobicContact CE1-CD1 4.24Å; F250-L440 HydrophobicContact CE1-CG 4.27Å; F250-L440 HydrophobicContact CE2-CD1 4.44Å; F250-L440 HydrophobicContact CE2-CD2 4.39Å; F250-L440 HydrophobicContact CE2-CG 4.49Å; F250-L440 HydrophobicContact CZ-CD1 3.74Å; F250-L440 HydrophobicContact CZ-CD2 3.85Å; F250-L440 HydrophobicContact CZ-CG 3.58Å
251	E	75.8	Confident	70.8	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.514	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-19.2	-177.5	-66.2	173.1	-158.8	0	0	113.1	R247 N248 H296	R247-E251 VanDerWaalsContact CG-OE2 3.3Å; R247-E251 WeakPolarHBondContact CG-OE2 3.41Å; N248-E251 HydrophobicContact CB-CG 4.47Å; N248-E251 PolarHBondContact O-N 2.84Å; E251-H296 PolarHBondContact O-NE2 3.05Å
252	E	79.4	Confident	73.9	Confident	55 Å²	55	55.3 Å²	55.3	26%	0.257	26%	0.262	S	S	.	.	S	Bend	trans	-78.1	138.4	178.6	-174.6	168.6	-157.9	0	0	110.9	K254 H296 F448	E252-K254 VanDerWaalsContact O-CD 3.25Å; E252-K254 WeakPolarHBondContact O-CD 3.44Å; E252-K254 WeakPolarHBondContact O-CE 2.95Å; E252-K254 PolarHBondContact O-NZ 2.85Å; E252-H296 PolarHBondContact O-CD2 3.26Å; E252-F448 HydrophobicContact CG-CD1 4.3Å; E252-F448 VanDerWaalsContact OE2-CD1 3.32Å; E252-F448 WeakPolarHBondContact OE2-CD1 3.31Å
253	M	84.3	Confident	76.9	Confident	40 Å²	40	45.6 Å²	45.6	20%	0.197	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-71.6	129.7	175.1	-163	71.1	-171.9	0	0	110.2	Y255 K292 H296 R298	M253-Y255 HydrophobicContact CB-CE2 4.48Å; M253-K292 HydrophobicContact CE-CB 4.44Å; M253-K292 HydrophobicContact CE-CG 4.06Å; M253-H296 VanDerWaalsContact CA-CD2 3.45Å; M253-H296 WeakPolarHBondContact CA-CD2 3.49Å; M253-H296 VanDerWaalsContact CE-C 3.41Å; M253-H296 HydrophobicContact SD-CB 4.21Å; M253-H296 PolarHBondContact SD-CD2 3.3Å; M253-H296 PolarHBondContact SD-NE2 2Å; M253-R298 HydrophobicContact CE-CG 3.45Å; M253-R298 VanDerWaalsContact CE-CG 3.45Å; M253-R298 HydrophobicContact CG-CG 4.25Å
254	K	89.9	Confident	79.9	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.7	177.4	-66.2	87.7	-175.4	165.4	0	110.3	V249 F250 E252 H296 T297 R298 Y435 L447 F448	V249-K254 WeakPolarHBondContact O-CE 3.49Å; V249-K254 PolarHBondContact O-NZ 2.77Å; F250-K254 PolarHBondContact O-NZ 2.75Å; F250-K254 VanDerWaalsContact O-NZ 3.11Å; E252-K254 VanDerWaalsContact O-CD 3.25Å; E252-K254 WeakPolarHBondContact O-CD 3.44Å; E252-K254 WeakPolarHBondContact O-CE 2.95Å; E252-K254 PolarHBondContact O-NZ 2.85Å; K254-H296 PolarHBondContact N-O 3.26Å; K254-T297 HydrophobicContact CB-CG2 3.99Å; K254-T297 CarbonylContact O-C 3.44Å; K254-T297 WeakPolarHBondContact O-CA 3.29Å; K254-R298 PolarHBondContact O-N 3.49Å; K254-Y435 WeakPolarHBondContact CD-OH 3.41Å; K254-L447 CarbonylContact C-O 3.51Å; K254-L447 VanDerWaalsContact CA-O 3.28Å; K254-L447 WeakPolarHBondContact CA-O 3.44Å; K254-L447 HydrophobicContact CB-CB 4.08Å; K254-L447 HydrophobicContact CG-CB 4.26Å; K254-F448 HydrophobicContact CG-CE1 4.4Å; K254-F448 HydrophobicContact CG-CZ 4.43Å
255	Y	91.4	Very high	82.8	Confident	23 Å²	23	34.2 Å²	34.2	9%	0.09	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.9	176	-59.7	-89.7	0	0	0	108.5	M253 R298 V300 L447 R450	M253-Y255 HydrophobicContact CB-CE2 4.48Å; Y255-R298 HydrophobicContact CD1-CB 3.87Å; Y255-R298 HydrophobicContact CD1-CG 4.14Å; Y255-R298 HydrophobicContact CE1-CB 4.23Å; Y255-R298 HydrophobicContact CE1-CG 3.97Å; Y255-V300 HydrophobicContact CD1-CG2 4.33Å; Y255-L447 PolarHBondContact N-O 2.83Å; Y255-L447 CarbonylContact O-C 3.57Å; Y255-L447 VanDerWaalsContact O-CA 3.24Å; Y255-L447 WeakPolarHBondContact O-CA 2.82Å; Y255-L447 WeakPolarHBondContact O-CD2 3.01Å; Y255-R450 HydrophobicContact CD1-CG 4.4Å; Y255-R450 HydrophobicContact CD2-CB 3.97Å; Y255-R450 HydrophobicContact CD2-CG 4.35Å; Y255-R450 HydrophobicContact CE1-CB 4.5Å; Y255-R450 HydrophobicContact CE1-CG 3.84Å; Y255-R450 HydrophobicContact CE2-CB 3.65Å; Y255-R450 HydrophobicContact CE2-CG 3.79Å; Y255-R450 WeakPolarHBondContact OH-CD 2.89Å; Y255-R450 PolarHBondContact OH-NE 3.24Å; Y255-R450 VanDerWaalsContact OH-NE 3.17Å
256	L	95.6	Very high	85.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.2	-175.9	-166.9	167.3	0	0	0	107.6	I258 F291 T297 R298 V300 M362 L388 L392 L447	L256-I258 HydrophobicContact CD2-CB 4.4Å; L256-I258 HydrophobicContact CD2-CG2 3.13Å; L256-I258 PolarHBondContact O-N 2.83Å; L256-F291 HydrophobicContact CD1-CE1 4.29Å; L256-T297 HydrophobicContact CB-CG2 4.01Å; L256-T297 HydrophobicContact CD1-CG2 4.39Å; L256-R298 WeakPolarHBondContact CB-O 3.41Å; L256-R298 PolarHBondContact N-O 3.48Å; L256-V300 PolarHBondContact O-N 2.96Å; L256-M362 HydrophobicContact CD1-CE 3.6Å; L256-M362 HydrophobicContact CD1-SD 4.49Å; L256-M362 HydrophobicContact CD2-CE 4.2Å; L256-M362 HydrophobicContact CD2-SD 4.48Å; L256-M362 HydrophobicContact CG-CE 3.93Å; L256-M362 HydrophobicContact CG-SD 4.22Å; L256-L388 HydrophobicContact CD1-CD2 4.29Å; L256-L388 HydrophobicContact CD2-CD2 3.8Å; L256-L392 HydrophobicContact CD1-CD1 4.02Å; L256-L392 HydrophobicContact CD1-CD2 4.35Å; L256-L392 HydrophobicContact CD1-CG 4.4Å; L256-L447 HydrophobicContact CB-CD2 4.03Å; L256-L447 HydrophobicContact CG-CD2 3.95Å
257	E	95.3	Very high	88.2	Confident	18 Å²	18	29.8 Å²	29.8	8%	0.084	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.1	-179.2	-63.3	-172.4	121.3	0	0	110.5	V300 V302 H337 A338 D339 S340 N449 P451	E257-V300 CarbonylContact C-O 3.43Å; E257-V300 WeakPolarHBondContact CA-O 3.42Å; E257-V302 HydrophobicContact CB-CG1 3.75Å; E257-V302 HydrophobicContact CG-CG1 4.07Å; E257-H337 IonicContact OE2-CE1 3.49Å; E257-H337 IonicContact OE2-ND1 3.8Å; E257-H337 PolarHBondContact OE2-ND1 2.03Å; E257-A338 CarbonylContact O-C 3.59Å; E257-D339 WeakPolarHBondContact CB-OD2 3.18Å; E257-D339 PolarHBondContact N-OD2 2.92Å; E257-D339 WeakPolarHBondContact O-CB 3.46Å; E257-D339 PolarHBondContact O-N 2.93Å; E257-S340 PolarHBondContact O-N 3.48Å; E257-N449 PolarHBondContact OE2-ND2 3.43Å; E257-P451 HydrophobicContact CG-CG 3.83Å; E257-P451 WeakPolarHBondContact OE1-CG 3.38Å
258	I	97.6	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148.7	179.2	56.4	165.5	0	0	0	114.7	L256 I260 V284 V299 V300 L301 V302 S340 L384 L388	L256-I258 HydrophobicContact CD2-CB 4.4Å; L256-I258 HydrophobicContact CD2-CG2 3.13Å; L256-I258 PolarHBondContact O-N 2.83Å; I258-I260 HydrophobicContact CD1-CD1 4.09Å; I258-I260 HydrophobicContact CD1-CG1 4.44Å; I258-V284 HydrophobicContact CD1-CB 4.5Å; I258-V284 HydrophobicContact CD1-CG1 3.84Å; I258-V284 HydrophobicContact CD1-CG2 3.79Å; I258-V284 HydrophobicContact CG1-CG1 4.47Å; I258-V299 HydrophobicContact CD1-CG1 3.48Å; I258-V299 VanDerWaalsContact CD1-CG1 3.48Å; I258-V299 HydrophobicContact CG1-CG1 3.73Å; I258-V300 PolarHBondContact N-O 3.41Å; I258-L301 HydrophobicContact CG1-CD1 4.28Å; I258-L301 WeakPolarHBondContact O-CA 3.03Å; I258-L301 WeakPolarHBondContact O-CD1 3.26Å; I258-V302 VanDerWaalsContact O-CG2 3.31Å; I258-V302 WeakPolarHBondContact O-CG2 3.33Å; I258-V302 PolarHBondContact O-N 3.49Å; I258-S340 VanDerWaalsContact CA-O 3.28Å; I258-S340 WeakPolarHBondContact CA-O 3.09Å; I258-L384 HydrophobicContact CD1-CD2 4.43Å; I258-L388 HydrophobicContact CG2-CD2 3.76Å
259	M	97.8	Very high	91.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.3	164.6	171.8	176	-178.5	0	0	110.5	I137 V261 V302 A303 E305 I334 Q336 A338 S340 V341 H342	I137-M259 HydrophobicContact CD1-CE 4.27Å; M259-V261 HydrophobicContact CE-CG2 4.16Å; M259-V302 HydrophobicContact CB-CG2 4.37Å; M259-A303 WeakPolarHBondContact CA-O 3.41Å; M259-A303 HydrophobicContact CB-CB 4.16Å; M259-A303 HydrophobicContact CE-CB 4.31Å; M259-A303 HydrophobicContact CG-CB 3.73Å; M259-A303 HydrophobicContact SD-CB 3.94Å; M259-E305 HydrophobicContact CE-CB 3.63Å; M259-E305 HydrophobicContact CE-CG 4.48Å; M259-E305 WeakPolarHBondContact CE-OE2 3.22Å; M259-I334 HydrophobicContact CE-CD1 4.17Å; M259-I334 HydrophobicContact CE-CG1 4.42Å; M259-I334 HydrophobicContact CE-CG2 4.14Å; M259-I334 HydrophobicContact SD-CD1 4.17Å; M259-I334 HydrophobicContact SD-CG2 3.55Å; M259-I334 VanDerWaalsContact SD-CG2 3.55Å; M259-Q336 HydrophobicContact SD-CB 4.22Å; M259-A338 HydrophobicContact CB-CB 4.03Å; M259-S340 PolarHBondContact N-O 3.43Å; M259-V341 HydrophobicContact CB-CG1 4.09Å; M259-V341 HydrophobicContact CB-CG2 4.16Å; M259-V341 HydrophobicContact CG-CG1 4.05Å; M259-V341 CarbonylContact O-C 3.26Å; M259-V341 WeakPolarHBondContact O-CA 3.49Å; M259-V341 HydrophobicContact SD-CG1 4.38Å; M259-H342 PolarHBondContact O-N 3.48Å
260	I	98.4	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.9	174.8	-60.3	-59.8	0	0	0	109.8	I258 A280 V284 L301 A303 V304 E305 H342 F344 L384	I258-I260 HydrophobicContact CD1-CD1 4.09Å; I258-I260 HydrophobicContact CD1-CG1 4.44Å; I260-A280 HydrophobicContact CG2-CB 4.01Å; I260-V284 HydrophobicContact CD1-CG2 4.34Å; I260-V284 HydrophobicContact CG1-CG2 3.93Å; I260-L301 HydrophobicContact CB-CD1 4.36Å; I260-L301 HydrophobicContact CG1-CD1 3.79Å; I260-A303 PolarHBondContact N-O 3.36Å; I260-V304 HydrophobicContact CB-CG2 4.49Å; I260-V304 CarbonylContact O-C 3.27Å; I260-V304 VanDerWaalsContact O-CA 3.32Å; I260-V304 WeakPolarHBondContact O-CA 3.22Å; I260-E305 PolarHBondContact O-N 2.85Å; I260-H342 WeakPolarHBondContact CA-O 3.41Å; I260-H342 HydrophobicContact CD1-CB 3.95Å; I260-F344 HydrophobicContact CD1-CE1 4.1Å; I260-F344 HydrophobicContact CD1-CZ 4.02Å; I260-F344 HydrophobicContact CG2-CD1 4.33Å; I260-F344 HydrophobicContact CG2-CD2 3.71Å; I260-F344 HydrophobicContact CG2-CE1 4.43Å; I260-F344 HydrophobicContact CG2-CE2 3.83Å; I260-F344 HydrophobicContact CG2-CG 3.99Å; I260-F344 HydrophobicContact CG2-CZ 4.19Å; I260-L384 HydrophobicContact CD1-CD1 4.44Å; I260-L384 HydrophobicContact CD1-CD2 4.27Å
261	V	98.4	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	171.1	-175.9	0	0	0	0	108.2	M259 E305 W307 F326 I334 V341 H342 L343 F344	M259-V261 HydrophobicContact CE-CG2 4.16Å; V261-E305 CarbonylContact C-O 3.53Å; V261-E305 WeakPolarHBondContact CA-O 2.99Å; V261-E305 HydrophobicContact CG1-CB 4.41Å; V261-E305 HydrophobicContact CG2-CB 4.24Å; V261-W307 HydrophobicContact CG1-CD2 4.24Å; V261-W307 HydrophobicContact CG1-CH2 4.45Å; V261-W307 HydrophobicContact CG1-CZ2 3.68Å; V261-F326 HydrophobicContact CB-CE2 4.01Å; V261-F326 HydrophobicContact CB-CZ 3.95Å; V261-F326 HydrophobicContact CG1-CE2 4.25Å; V261-F326 HydrophobicContact CG2-CE2 3.98Å; V261-F326 HydrophobicContact CG2-CZ 3.77Å; V261-I334 HydrophobicContact CG2-CD1 4.23Å; V261-V341 HydrophobicContact CG2-CG1 3.93Å; V261-H342 PolarHBondContact N-O 3.18Å; V261-L343 HydrophobicContact CB-CD1 4.03Å; V261-L343 HydrophobicContact CG1-CD1 3.86Å; V261-L343 CarbonylContact O-C 3.59Å; V261-L343 WeakPolarHBondContact O-CA 3.43Å; V261-F344 PolarHBondContact O-N 2.9Å
262	S	98.2	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.7	174.6	-67.5	0	0	0	0	110.3	E305 W307	S262-E305 PolarHBondContact N-O 3.41Å; S262-W307 PolarHBondContact O-N 3.26Å
263	D	97.3	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.			trans	-66.6	169.7	179.8	84.7	-13	0	0	0	112.8	N265 M266 Y267 W307 I315 L343 F344 T345	D263-N265 PolarHBondContact O-N 3.4Å; D263-N265 PolarHBondContact OD1-N 3.05Å; D263-M266 WeakPolarHBondContact O-CB 3.32Å; D263-M266 PolarHBondContact O-N 3.16Å; D263-M266 VanDerWaalsContact OD1-CB 3.31Å; D263-M266 WeakPolarHBondContact OD1-CB 3.3Å; D263-M266 VanDerWaalsContact OD1-CG 3.3Å; D263-M266 WeakPolarHBondContact OD1-CG 3.16Å; D263-M266 PolarHBondContact OD1-N 2.04Å; D263-Y267 PolarHBondContact O-N 2.71Å; D263-Y267 VanDerWaalsContact O-N 3.09Å; D263-W307 HydrophobicContact CB-CE3 3.98Å; D263-W307 HydrophobicContact CB-CZ3 4.28Å; D263-I315 HydrophobicContact CB-CD1 4.14Å; D263-L343 HydrophobicContact CB-CD1 4.28Å; D263-F344 PolarHBondContact N-O 3.11Å; D263-T345 WeakPolarHBondContact OD2-CA 3.34Å; D263-T345 VanDerWaalsContact OD2-CB 3.27Å; D263-T345 WeakPolarHBondContact OD2-CB 3.44Å; D263-T345 PolarHBondContact OD2-OG1 3.27Å
264	H	96.7	Very high	94.1	Very high	24 Å²	24	37.4 Å²	37.4	11%	0.111	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-29.2	-176.7	-173.9	65.2	0	0	0	112.2	Y267 K268 W307 T308 D309 D311	H264-Y267 PolarHBondContact O-N 2.81Å; H264-K268 PolarHBondContact CD2-NZ 3.27Å; H264-K268 WeakPolarHBondContact NE2-CE 3.32Å; H264-K268 PolarHBondContact NE2-NZ 3.3Å; H264-K268 WeakPolarHBondContact O-CG 3.43Å; H264-K268 PolarHBondContact O-N 2.74Å; H264-W307 VanDerWaalsContact CA-O 3.25Å; H264-W307 WeakPolarHBondContact CA-O 3.37Å; H264-W307 HydrophobicContact CB-CB 4.43Å; H264-W307 WeakPolarHBondContact CB-O 3.02Å; H264-W307 PolarHBondContact ND1-O 3.05Å; H264-T308 PolarHBondContact CE1-O 3.3Å; H264-T308 PolarHBondContact ND1-O 3Å; H264-T308 VanDerWaalsContact ND1-O 3.1Å; H264-D309 PolarHBondContact CE1-O 2.81Å; H264-D309 VanDerWaalsContact CE1-O 3.29Å; H264-D311 WeakPolarHBondContact CB-OD1 3.25Å; H264-D311 PolarHBondContact N-OD1 3.49Å
265	N	94.7	Very high	94	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	19%	0.188	S	C	.	.	H	α-helix	trans	-70.9	-36.6	175.8	-66.8	-40.5	0	0	0	112.1	D263 K268 R269 N346	D263-N265 PolarHBondContact O-N 3.4Å; D263-N265 PolarHBondContact OD1-N 3.05Å; N265-K268 PolarHBondContact O-N 3.21Å; N265-R269 PolarHBondContact O-N 3.05Å; N265-N346 HydrophobicContact CB-CB 3.98Å
266	M	94.8	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-42.1	172	-82.8	-61.5	-70.7	0	0	111.8	D263 R269 H270 F279 F344 N346 Y374	D263-M266 WeakPolarHBondContact O-CB 3.32Å; D263-M266 PolarHBondContact O-N 3.16Å; D263-M266 VanDerWaalsContact OD1-CB 3.31Å; D263-M266 WeakPolarHBondContact OD1-CB 3.3Å; D263-M266 VanDerWaalsContact OD1-CG 3.3Å; D263-M266 WeakPolarHBondContact OD1-CG 3.16Å; D263-M266 PolarHBondContact OD1-N 2.04Å; M266-R269 PolarHBondContact O-N 2.75Å; M266-H270 PolarHBondContact O-N 2.6Å; M266-H270 PolarHBondContact O-ND1 3.25Å; M266-F279 HydrophobicContact CE-CD1 3.93Å; M266-F279 HydrophobicContact CE-CE1 3.78Å; M266-F344 HydrophobicContact CE-CB 4.38Å; M266-F344 HydrophobicContact CG-CB 4.36Å; M266-F344 WeakPolarHBondContact CG-O 3.32Å; M266-N346 HydrophobicContact CG-CB 4.15Å; M266-N346 HydrophobicContact SD-CB 3.83Å; M266-Y374 HydrophobicContact CE-CD2 3.77Å; M266-Y374 HydrophobicContact CE-CE2 4.34Å; M266-Y374 HydrophobicContact SD-CD2 3.46Å; M266-Y374 WeakPolarHBondContact SD-CD2 3.25Å; M266-Y374 HydrophobicContact SD-CE2 4.36Å; M266-Y374 HydrophobicContact SD-CG 4.06Å
267	Y	95.4	Very high	93.9	Very high	56 Å²	56	43.6 Å²	43.6	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-50.7	172.8	170.3	-116.8	0	0	0	111.6	D263 H264 R269 H270 K271 K273 I306 T308	D263-Y267 PolarHBondContact O-N 2.71Å; D263-Y267 VanDerWaalsContact O-N 3.09Å; H264-Y267 PolarHBondContact O-N 2.81Å; Y267-R269 VanDerWaalsContact C-N 3.25Å; Y267-R269 PolarHBondContact O-N 2.83Å; Y267-H270 PolarHBondContact O-N 2.86Å; Y267-K271 PolarHBondContact O-N 3.27Å; Y267-K273 HydrophobicContact CE2-CG 3.86Å; Y267-I306 HydrophobicContact CD2-CG2 4.04Å; Y267-I306 HydrophobicContact CG-CG2 4.18Å; Y267-T308 HydrophobicContact CD1-CG2 4.42Å; Y267-T308 HydrophobicContact CD2-CG2 4.1Å; Y267-T308 HydrophobicContact CE1-CG2 4.3Å; Y267-T308 HydrophobicContact CE2-CG2 3.98Å; Y267-T308 HydrophobicContact CG-CG2 4.32Å
268	K	94.4	Very high	93.7	Very high	122 Å²	122	43.5 Å²	43.5	53%	0.53	20%	0.195	S	C	.	.	H	α-helix	trans	-56.7	-37.5	177.2	-80.1	176.4	172.1	157.9	0	113.1	H264 N265 K271	H264-K268 PolarHBondContact CD2-NZ 3.27Å; H264-K268 WeakPolarHBondContact NE2-CE 3.32Å; H264-K268 PolarHBondContact NE2-NZ 3.3Å; H264-K268 WeakPolarHBondContact O-CG 3.43Å; H264-K268 PolarHBondContact O-N 2.74Å; N265-K268 PolarHBondContact O-N 3.21Å; K268-K271 PolarHBondContact O-N 2.8Å
269	R	92.5	Very high	93.4	Very high	118 Å²	118	44.3 Å²	44.3	45%	0.445	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-46.5	178.7	-178.6	172.8	-170.8	111.7	5.7	112.5	N265 M266 Y267 K271 N346 Y374	N265-R269 PolarHBondContact O-N 3.05Å; M266-R269 PolarHBondContact O-N 2.75Å; Y267-R269 VanDerWaalsContact C-N 3.25Å; Y267-R269 PolarHBondContact O-N 2.83Å; R269-K271 VanDerWaalsContact C-N 3.32Å; R269-N346 WeakPolarHBondContact CD-OD1 3.36Å; R269-N346 PolarHBondContact NH1-OD1 3.39Å; R269-Y374 PolarHBondContact NE-OH 2.9Å; R269-Y374 PolarHBondContact NH2-OH 3.48Å
270	H	89.3	Confident	93.3	Very high	32 Å²	32	44.3 Å²	44.3	15%	0.148	20%	0.199	C	C	.	.	H	α-helix	trans	-82.4	-13.1	-177.7	-67.5	86.1	0	0	0	113	M266 Y267 A272 H275 T276 F279	M266-H270 PolarHBondContact O-N 2.6Å; M266-H270 PolarHBondContact O-ND1 3.25Å; Y267-H270 PolarHBondContact O-N 2.86Å; H270-A272 PolarHBondContact O-N 3.47Å; H270-H275 HydrophobicContact CB-CB 3.94Å; H270-H275 PolarHBondContact O-ND1 3.42Å; H270-T276 WeakPolarHBondContact CB-OG1 3.07Å; H270-F279 AromaticContact CE1-CD1 3.99Å; H270-F279 AromaticContact NE2-CD1 3.92Å; H270-F279 AromaticContact NE2-CD2 3.8Å; H270-F279 AromaticContact NE2-CG 3.53Å
271	K	87.1	Confident	93.1	Very high	185 Å²	185	44.3 Å²	44.3	80%	0.804	20%	0.199	S	C	*	.			trans	63.8	-8.1	175.6	-53.9	178.7	-178.3	178.7	0	115.7	Y267 K268 R269	Y267-K271 PolarHBondContact O-N 3.27Å; K268-K271 PolarHBondContact O-N 2.8Å; R269-K271 VanDerWaalsContact C-N 3.32Å
272	A	90.7	Very high	92.8	Very high	32 Å²	32	44.6 Å²	44.6	26%	0.264	20%	0.2	S	C	.	.	S	Bend	trans	-146.7	140.8	-178	0	0	0	0	0	111.1	H270 Q274 H275 T276	H270-A272 PolarHBondContact O-N 3.47Å; A272-Q274 VanDerWaalsContact C-N 3.29Å; A272-Q274 PolarHBondContact O-N 2.91Å; A272-H275 HydrophobicContact CB-CB 4.39Å; A272-H275 PolarHBondContact O-N 3.11Å; A272-H275 VanDerWaalsContact O-N 3.14Å; A272-T276 PolarHBondContact O-N 3.08Å; A272-T276 VanDerWaalsContact O-N 3.13Å; A272-T276 PolarHBondContact O-OG1 3.02Å
273	K	91.2	Very high	92.6	Very high	66 Å²	66	44.6 Å²	44.6	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-53.9	-46.7	177.4	-58.1	-173.9	-125	-173.2	0	111.1	H138 E140 Y267 H275 T276 R277 T308	H138-K273 HydrophobicContact CB-CD 4.18Å; H138-K273 PolarHBondContact CD2-NZ 2.82Å; H138-K273 VanDerWaalsContact CD2-NZ 3.27Å; H138-K273 PolarHBondContact NE2-NZ 3.04Å; H138-K273 VanDerWaalsContact NE2-NZ 3.17Å; E140-K273 IonicContact OE1-NZ 3.39Å; E140-K273 PolarHBondContact OE1-NZ 3.01Å; Y267-K273 HydrophobicContact CE2-CG 3.86Å; K273-H275 PolarHBondContact O-N 3.05Å; K273-T276 PolarHBondContact O-N 2.77Å; K273-R277 WeakPolarHBondContact O-CG 3.38Å; K273-R277 PolarHBondContact O-N 3.33Å; K273-T308 HydrophobicContact CD-CG2 4.09Å; K273-T308 HydrophobicContact CG-CG2 3.96Å
274	Q	88.8	Confident	92.5	Very high	57 Å²	57	44.6 Å²	44.6	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-55.4	-45.8	177.6	178.4	67.9	2	0	0	112.6	E151 A272 R277 N278	E151-Q274 PolarHBondContact OE2-NE2 3.38Å; A272-Q274 VanDerWaalsContact C-N 3.29Å; A272-Q274 PolarHBondContact O-N 2.91Å; Q274-R277 VanDerWaalsContact O-CG 3.25Å; Q274-R277 WeakPolarHBondContact O-CG 3.09Å; Q274-N278 PolarHBondContact NE2-ND2 3.34Å; Q274-N278 VanDerWaalsContact O-CB 3.31Å; Q274-N278 WeakPolarHBondContact O-CB 3.49Å; Q274-N278 PolarHBondContact O-N 3.28Å; Q274-N278 PolarHBondContact O-OD1 3.42Å
275	H	89.3	Confident	92.4	Very high	89 Å²	89	43.5 Å²	43.5	41%	0.412	20%	0.195	S	C	.	.	H	α-helix	trans	-69.8	-38.1	-178.9	-65	162	0	0	0	112	H270 A272 K273 F279	H270-H275 HydrophobicContact CB-CB 3.94Å; H270-H275 PolarHBondContact O-ND1 3.42Å; A272-H275 HydrophobicContact CB-CB 4.39Å; A272-H275 PolarHBondContact O-N 3.11Å; A272-H275 VanDerWaalsContact O-N 3.14Å; K273-H275 PolarHBondContact O-N 3.05Å; H275-F279 VanDerWaalsContact O-CB 3.31Å; H275-F279 WeakPolarHBondContact O-CB 3.24Å; H275-F279 PolarHBondContact O-N 3.24Å
276	T	92.3	Very high	92.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-47.4	176.6	-51.3	0	0	0	0	111.7	H270 A272 K273 F279 A280 I306	H270-T276 WeakPolarHBondContact CB-OG1 3.07Å; A272-T276 PolarHBondContact O-N 3.08Å; A272-T276 VanDerWaalsContact O-N 3.13Å; A272-T276 PolarHBondContact O-OG1 3.02Å; K273-T276 PolarHBondContact O-N 2.77Å; T276-F279 PolarHBondContact O-N 2.94Å; T276-A280 PolarHBondContact O-N 3.23Å; T276-A280 VanDerWaalsContact O-N 3.1Å; T276-I306 HydrophobicContact CG2-CD1 4.21Å; T276-I306 HydrophobicContact CG2-CG1 4.24Å; T276-I306 HydrophobicContact CG2-CG2 4.2Å
277	R	92.2	Very high	92.2	Very high	65 Å²	65	41.2 Å²	41.2	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-40.8	177.3	62.2	-173.5	172.7	-163.7	-0.3	112.6	E136 K273 Q274 F279 A280 K281 V304 I306	E136-R277 VanDerWaalsContact CD-CD 3.49Å; E136-R277 WeakPolarHBondContact OE2-CD 3.44Å; E136-R277 IonicContact OE2-CZ 3.58Å; E136-R277 VanDerWaalsContact OE2-CZ 3.31Å; E136-R277 IonicContact OE2-NE 2.99Å; E136-R277 PolarHBondContact OE2-NE 2.01Å; E136-R277 IonicContact OE2-NH1 3.7Å; E136-R277 PolarHBondContact OE2-NH1 3.07Å; K273-R277 WeakPolarHBondContact O-CG 3.38Å; K273-R277 PolarHBondContact O-N 3.33Å; Q274-R277 VanDerWaalsContact O-CG 3.25Å; Q274-R277 WeakPolarHBondContact O-CG 3.09Å; R277-F279 VanDerWaalsContact C-N 3.32Å; R277-F279 PolarHBondContact O-N 3.37Å; R277-A280 PolarHBondContact O-N 2.96Å; R277-K281 WeakPolarHBondContact O-CG 3.44Å; R277-K281 PolarHBondContact O-N 3.27Å; R277-V304 HydrophobicContact CB-CG1 4.32Å; R277-I306 HydrophobicContact CB-CD1 4.22Å
278	N	90.9	Very high	92.1	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-34.9	178.8	-70.6	-0.7	0	0	0	112.4	Y154 Q274 S282	Y154-N278 WeakPolarHBondContact OH-CA 3.18Å; Y154-N278 PolarHBondContact OH-O 2.9Å; Y154-N278 PolarHBondContact OH-OD1 3.01Å; Q274-N278 PolarHBondContact NE2-ND2 3.34Å; Q274-N278 VanDerWaalsContact O-CB 3.31Å; Q274-N278 WeakPolarHBondContact O-CB 3.49Å; Q274-N278 PolarHBondContact O-N 3.28Å; Q274-N278 PolarHBondContact O-OD1 3.42Å; N278-S282 WeakPolarHBondContact O-CB 3.44Å; N278-S282 PolarHBondContact O-N 2.97Å; N278-S282 PolarHBondContact O-OG 2.99Å
279	F	91.6	Very high	91.8	Very high	17 Å²	17	34 Å²	34	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-50	171.9	179.6	-101.7	0	0	0	111	M266 H270 H275 T276 R277 K281 S282 V283 Y374 T377 M380	M266-F279 HydrophobicContact CE-CD1 3.93Å; M266-F279 HydrophobicContact CE-CE1 3.78Å; H270-F279 AromaticContact CE1-CD1 3.99Å; H270-F279 AromaticContact NE2-CD1 3.92Å; H270-F279 AromaticContact NE2-CD2 3.8Å; H270-F279 AromaticContact NE2-CG 3.53Å; H275-F279 VanDerWaalsContact O-CB 3.31Å; H275-F279 WeakPolarHBondContact O-CB 3.24Å; H275-F279 PolarHBondContact O-N 3.24Å; T276-F279 PolarHBondContact O-N 2.94Å; R277-F279 VanDerWaalsContact C-N 3.32Å; R277-F279 PolarHBondContact O-N 3.37Å; F279-K281 PolarHBondContact O-N 2.03Å; F279-S282 PolarHBondContact O-N 2.75Å; F279-V283 HydrophobicContact CD1-CG2 4.41Å; F279-V283 HydrophobicContact CE1-CG2 4.06Å; F279-V283 HydrophobicContact CE2-CG2 4.4Å; F279-V283 HydrophobicContact CZ-CG2 4.07Å; F279-V283 WeakPolarHBondContact O-CG2 3.5Å; F279-V283 PolarHBondContact O-N 2.76Å; F279-Y374 HydrophobicContact CE1-CD2 4.45Å; F279-Y374 HydrophobicContact CE1-CE2 4.3Å; F279-Y374 HydrophobicContact CZ-CD2 4.37Å; F279-Y374 AromaticContact CZ-CE2 3.93Å; F279-Y374 HydrophobicContact CZ-CE2 3.93Å; F279-T377 HydrophobicContact CE2-CG2 4.32Å; F279-M380 HydrophobicContact CE1-CE 4.43Å; F279-M380 HydrophobicContact CE1-CG 4.01Å; F279-M380 HydrophobicContact CZ-CB 4.34Å; F279-M380 HydrophobicContact CZ-CG 3.72Å
280	A	94.9	Very high	91.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-49.4	178	0	0	0	0	0	112.3	I260 T276 R277 S282 V283 V284 V304 F344	I260-A280 HydrophobicContact CG2-CB 4.01Å; T276-A280 PolarHBondContact O-N 3.23Å; T276-A280 VanDerWaalsContact O-N 3.1Å; R277-A280 PolarHBondContact O-N 2.96Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-S282 PolarHBondContact O-N 3.45Å; A280-V283 PolarHBondContact O-N 3.29Å; A280-V284 WeakPolarHBondContact O-CG2 3.27Å; A280-V284 PolarHBondContact O-N 2.77Å; A280-V304 HydrophobicContact CB-CG1 4.48Å; A280-V304 HydrophobicContact CB-CG2 4.46Å; A280-F344 HydrophobicContact CB-CE2 4.32Å
281	K	93.6	Very high	91.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-39	176.6	-69.7	176.9	-177.4	178.3	0	112.6	L130 Y134 E136 E151 Y154 R277 F279 V284 N285 L301	L130-K281 HydrophobicContact CD2-CG 4.48Å; Y134-K281 VanDerWaalsContact CZ-CE 3.49Å; Y134-K281 WeakPolarHBondContact OH-CE 3.07Å; E136-K281 WeakPolarHBondContact OE1-CE 3.41Å; E136-K281 IonicContact OE1-NZ 3.63Å; E136-K281 PolarHBondContact OE1-NZ 2.79Å; E151-K281 PolarHBondContact O-NZ 3.29Å; Y154-K281 HydrophobicContact CD1-CB 4.35Å; Y154-K281 HydrophobicContact CD2-CB 4.42Å; Y154-K281 HydrophobicContact CE1-CB 3.58Å; Y154-K281 HydrophobicContact CE2-CB 3.69Å; Y154-K281 HydrophobicContact CE2-CD 3.56Å; Y154-K281 HydrophobicContact CE2-CG 4.21Å; Y154-K281 VanDerWaalsContact OH-CB 3.28Å; Y154-K281 WeakPolarHBondContact OH-CB 3.35Å; Y154-K281 WeakPolarHBondContact OH-CD 3.27Å; R277-K281 WeakPolarHBondContact O-CG 3.44Å; R277-K281 PolarHBondContact O-N 3.27Å; F279-K281 PolarHBondContact O-N 2.03Å; K281-V284 PolarHBondContact O-N 2.94Å; K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 3.14Å; K281-L301 HydrophobicContact CB-CD2 4.48Å; K281-L301 HydrophobicContact CG-CD2 3.73Å
282	S	92.4	Very high	91.9	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-43.8	175.9	-59.6	0	0	0	0	111.7	H176 N278 F279 A280 N285 F286	H176-S282 PolarHBondContact ND1-OG 2.81Å; N278-S282 WeakPolarHBondContact O-CB 3.44Å; N278-S282 PolarHBondContact O-N 2.97Å; N278-S282 PolarHBondContact O-OG 2.99Å; F279-S282 PolarHBondContact O-N 2.75Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-S282 PolarHBondContact O-N 3.45Å; S282-N285 PolarHBondContact O-N 2.94Å; S282-F286 WeakPolarHBondContact O-CD2 3.04Å; S282-F286 WeakPolarHBondContact O-CG 3.46Å; S282-F286 PolarHBondContact O-N 2.71Å
283	V	94.1	Very high	91.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-47	175.6	173.3	0	0	0	0	110.5	F279 A280 N285 F286 V287 F344 T377 M380 A381 L384	F279-V283 HydrophobicContact CD1-CG2 4.41Å; F279-V283 HydrophobicContact CE1-CG2 4.06Å; F279-V283 HydrophobicContact CE2-CG2 4.4Å; F279-V283 HydrophobicContact CZ-CG2 4.07Å; F279-V283 WeakPolarHBondContact O-CG2 3.5Å; F279-V283 PolarHBondContact O-N 2.76Å; A280-V283 PolarHBondContact O-N 3.29Å; V283-N285 PolarHBondContact O-N 2.79Å; V283-F286 WeakPolarHBondContact O-CB 3.29Å; V283-F286 PolarHBondContact O-N 3.32Å; V283-V287 WeakPolarHBondContact O-CG2 3.41Å; V283-V287 PolarHBondContact O-N 3.08Å; V283-V287 VanDerWaalsContact O-N 3.14Å; V283-F344 HydrophobicContact CB-CE2 4.28Å; V283-F344 HydrophobicContact CB-CZ 4.37Å; V283-F344 HydrophobicContact CG1-CE2 4.22Å; V283-F344 HydrophobicContact CG1-CZ 3.84Å; V283-F344 HydrophobicContact CG2-CE2 4.46Å; V283-T377 HydrophobicContact CG2-CG2 3.68Å; V283-M380 HydrophobicContact CB-CB 4.48Å; V283-M380 HydrophobicContact CG1-CB 3.91Å; V283-M380 HydrophobicContact CG2-CB 3.64Å; V283-M380 HydrophobicContact CG2-CG 4.47Å; V283-A381 HydrophobicContact CG1-CB 4.41Å; V283-L384 HydrophobicContact CG1-CB 4.42Å; V283-L384 HydrophobicContact CG1-CD2 4.03Å
284	V	96.1	Very high	91.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-38.8	-179.7	179.5	0	0	0	0	112	L129 I258 I260 A280 K281 F286 V287 D288 V299 L301 L384	L129-V284 HydrophobicContact CD1-CB 4.38Å; L129-V284 HydrophobicContact CD1-CG1 3.83Å; I258-V284 HydrophobicContact CD1-CB 4.5Å; I258-V284 HydrophobicContact CD1-CG1 3.84Å; I258-V284 HydrophobicContact CD1-CG2 3.79Å; I258-V284 HydrophobicContact CG1-CG1 4.47Å; I260-V284 HydrophobicContact CD1-CG2 4.34Å; I260-V284 HydrophobicContact CG1-CG2 3.93Å; A280-V284 WeakPolarHBondContact O-CG2 3.27Å; A280-V284 PolarHBondContact O-N 2.77Å; K281-V284 PolarHBondContact O-N 2.94Å; V284-F286 PolarHBondContact O-N 3.13Å; V284-V287 PolarHBondContact O-N 2.87Å; V284-V287 VanDerWaalsContact O-N 3.09Å; V284-D288 PolarHBondContact O-N 3.49Å; V284-V299 HydrophobicContact CG1-CG1 3.86Å; V284-L301 HydrophobicContact CG1-CB 4.22Å; V284-L301 HydrophobicContact CG2-CD1 4.24Å; V284-L384 HydrophobicContact CG2-CD2 4.13Å
285	N	94	Very high	91.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-57.5	-33	175.9	-170	52.5	0	0	0	112.5	N126 L129 Y154 Y155 H156 K281 S282 V283 A289	N126-N285 PolarHBondContact ND2-OD1 3.22Å; L129-N285 HydrophobicContact CD1-CB 4.2Å; L129-N285 HydrophobicContact CD2-CB 3.81Å; Y154-N285 HydrophobicContact CD1-CB 4.18Å; Y155-N285 PolarHBondContact O-ND2 3.38Å; H156-N285 PolarHBondContact NE2-O 3.46Å; H156-N285 PolarHBondContact NE2-OD1 2.81Å; K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 3.14Å; S282-N285 PolarHBondContact O-N 2.94Å; V283-N285 PolarHBondContact O-N 2.79Å; N285-A289 PolarHBondContact O-N 3.01Å
286	F	89.9	Confident	91.4	Very high	4 Å²	4	23 Å²	23	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-74.4	-43.4	174.9	-65.6	-46	0	0	0	113.5	A168 G177 M178 S282 V283 V284 D288 A289 I290 T377 A381	A168-F286 HydrophobicContact CB-CD1 3.55Å; A168-F286 HydrophobicContact CB-CE1 3.84Å; A168-F286 WeakPolarHBondContact O-CE1 3.27Å; G177-F286 VanDerWaalsContact C-CZ 3.47Å; M178-F286 HydrophobicContact CB-CE1 3.76Å; M178-F286 HydrophobicContact CB-CZ 3.98Å; M178-F286 HydrophobicContact CE-CB 3.99Å; M178-F286 HydrophobicContact CE-CD1 3.4Å; M178-F286 VanDerWaalsContact CE-CD1 3.4Å; M178-F286 HydrophobicContact CE-CD2 3.88Å; M178-F286 HydrophobicContact CE-CE1 3.49Å; M178-F286 VanDerWaalsContact CE-CE1 3.49Å; M178-F286 HydrophobicContact CE-CE2 3.94Å; M178-F286 HydrophobicContact CE-CG 3.56Å; M178-F286 HydrophobicContact CE-CZ 3.69Å; M178-F286 HydrophobicContact CG-CD1 3.97Å; M178-F286 HydrophobicContact CG-CE1 3.48Å; M178-F286 VanDerWaalsContact CG-CE1 3.48Å; M178-F286 HydrophobicContact CG-CZ 4.15Å; M178-F286 VanDerWaalsContact N-CE1 3.32Å; M178-F286 HydrophobicContact SD-CD1 4.18Å; M178-F286 HydrophobicContact SD-CE1 4.17Å; S282-F286 WeakPolarHBondContact O-CD2 3.04Å; S282-F286 WeakPolarHBondContact O-CG 3.46Å; S282-F286 PolarHBondContact O-N 2.71Å; V283-F286 WeakPolarHBondContact O-CB 3.29Å; V283-F286 PolarHBondContact O-N 3.32Å; V284-F286 PolarHBondContact O-N 3.13Å; F286-D288 VanDerWaalsContact C-N 3.28Å; F286-D288 PolarHBondContact O-N 2.92Å; F286-A289 PolarHBondContact O-N 3.22Å; F286-I290 WeakPolarHBondContact O-CG1 3.41Å; F286-I290 PolarHBondContact O-N 3.18Å; F286-I290 VanDerWaalsContact O-N 3.15Å; F286-T377 HydrophobicContact CD2-CG2 3.75Å; F286-T377 HydrophobicContact CE2-CG2 3.34Å; F286-A381 HydrophobicContact CB-CB 3.74Å; F286-A381 HydrophobicContact CD2-CB 4.21Å; F286-A381 HydrophobicContact CG-CB 4.44Å
287	V	94.8	Very high	91.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-39	177.1	179.4	0	0	0	0	110.5	V283 V284 A289 I290 F291 V299 A381 L384 L388	V283-V287 WeakPolarHBondContact O-CG2 3.41Å; V283-V287 PolarHBondContact O-N 3.08Å; V283-V287 VanDerWaalsContact O-N 3.14Å; V284-V287 PolarHBondContact O-N 2.87Å; V284-V287 VanDerWaalsContact O-N 3.09Å; V287-A289 PolarHBondContact O-N 2.95Å; V287-I290 PolarHBondContact O-N 3.16Å; V287-F291 HydrophobicContact CG1-CD2 3.63Å; V287-F291 HydrophobicContact CG1-CE2 3.6Å; V287-F291 HydrophobicContact CG1-CG 4.39Å; V287-F291 HydrophobicContact CG1-CZ 4.31Å; V287-F291 WeakPolarHBondContact O-CB 3.31Å; V287-F291 VanDerWaalsContact O-CD2 3.27Å; V287-F291 WeakPolarHBondContact O-CD2 3.34Å; V287-F291 PolarHBondContact O-N 2.02Å; V287-V299 HydrophobicContact CG1-CG2 4.12Å; V287-A381 HydrophobicContact CG2-CB 4.12Å; V287-A381 WeakPolarHBondContact CG2-O 3.03Å; V287-L384 HydrophobicContact CB-CD2 4.49Å; V287-L384 HydrophobicContact CG2-CB 4.05Å; V287-L384 HydrophobicContact CG2-CD2 3.86Å; V287-L384 HydrophobicContact CG2-CG 4.04Å; V287-L388 HydrophobicContact CG1-CD1 3.81Å
288	D	94.2	Very high	91.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.4	-45.9	173.8	-176.7	40.8	0	0	0	111.6	N126 L129 H156 V284 F286 I290 F291 K292 R298 V299	N126-D288 PolarHBondContact ND2-OD2 3.48Å; L129-D288 HydrophobicContact CD1-CB 4.44Å; H156-D288 IonicContact CE1-OD2 3.6Å; H156-D288 PolarHBondContact CE1-OD2 3.3Å; H156-D288 VanDerWaalsContact CE1-OD2 3.22Å; V284-D288 PolarHBondContact O-N 3.49Å; F286-D288 VanDerWaalsContact C-N 3.28Å; F286-D288 PolarHBondContact O-N 2.92Å; D288-I290 PolarHBondContact O-N 2.93Å; D288-F291 PolarHBondContact O-N 2.85Å; D288-K292 WeakPolarHBondContact O-CB 3.41Å; D288-K292 PolarHBondContact O-N 3.27Å; D288-R298 VanDerWaalsContact OD1-CA 3.31Å; D288-R298 WeakPolarHBondContact OD1-CA 3.49Å; D288-R298 IonicContact OD1-CZ 3.71Å; D288-R298 IonicContact OD1-NE 3.08Å; D288-R298 PolarHBondContact OD1-NE 2.75Å; D288-R298 IonicContact OD1-NH2 3.45Å; D288-R298 IonicContact OD2-CZ 2.61Å; D288-R298 IonicContact OD2-NE 3.83Å; D288-R298 PolarHBondContact OD2-NE 2.97Å; D288-R298 IonicContact OD2-NH2 3.43Å; D288-R298 PolarHBondContact OD2-NH2 3.11Å; D288-V299 HydrophobicContact CB-CB 4.13Å; D288-V299 PolarHBondContact OD1-N 3.3Å
289	A	88.9	Confident	91.6	Very high	27 Å²	27	19.9 Å²	19.9	22%	0.223	10%	0.096	C	C	.	.	H	α-helix	trans	-58.5	-47.2	176.9	0	0	0	0	0	112.2	A168 N285 F286 V287 K292 E293	A168-A289 HydrophobicContact CB-CB 4.35Å; N285-A289 PolarHBondContact O-N 3.01Å; F286-A289 PolarHBondContact O-N 3.22Å; V287-A289 PolarHBondContact O-N 2.95Å; A289-K292 PolarHBondContact O-N 2.94Å; A289-E293 WeakPolarHBondContact O-CB 3.5Å; A289-E293 PolarHBondContact O-N 2.93Å; A289-E293 VanDerWaalsContact O-N 3.13Å
290	I	88.8	Confident	91.7	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.067	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-47.3	178.9	-68.9	169.8	0	0	0	111.4	F286 V287 D288 H294 I415 F427	F286-I290 WeakPolarHBondContact O-CG1 3.41Å; F286-I290 PolarHBondContact O-N 3.18Å; F286-I290 VanDerWaalsContact O-N 3.15Å; V287-I290 PolarHBondContact O-N 3.16Å; D288-I290 PolarHBondContact O-N 2.93Å; I290-H294 PolarHBondContact O-CD2 3.48Å; I290-H294 PolarHBondContact O-N 3.42Å; I290-H294 VanDerWaalsContact O-N 3.08Å; I290-I415 HydrophobicContact CG2-CD1 3.39Å; I290-F427 HydrophobicContact CG2-CE2 4.04Å
291	F	93.4	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72.1	-35.7	-176.2	-83.8	-126.5	0	0	0	111.6	L256 V287 D288 E293 L295 H296 T297 V299 L388 L392 F427	L256-F291 HydrophobicContact CD1-CE1 4.29Å; V287-F291 HydrophobicContact CG1-CD2 3.63Å; V287-F291 HydrophobicContact CG1-CE2 3.6Å; V287-F291 HydrophobicContact CG1-CG 4.39Å; V287-F291 HydrophobicContact CG1-CZ 4.31Å; V287-F291 WeakPolarHBondContact O-CB 3.31Å; V287-F291 VanDerWaalsContact O-CD2 3.27Å; V287-F291 WeakPolarHBondContact O-CD2 3.34Å; V287-F291 PolarHBondContact O-N 2.02Å; D288-F291 PolarHBondContact O-N 2.85Å; F291-E293 VanDerWaalsContact C-N 3.34Å; F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CE1-CD1 4.04Å; F291-L295 HydrophobicContact CG-CD1 4.38Å; F291-L295 HydrophobicContact CZ-CD1 4.49Å; F291-L295 CarbonylContact O-C 3.53Å; F291-L295 WeakPolarHBondContact O-CA 3.2Å; F291-L295 PolarHBondContact O-N 2.88Å; F291-H296 PolarHBondContact O-N 3.5Å; F291-T297 CarbonylContact C-O 3.58Å; F291-T297 VanDerWaalsContact CB-O 3.28Å; F291-T297 WeakPolarHBondContact CB-O 3.15Å; F291-T297 HydrophobicContact CD1-CG2 4.27Å; F291-T297 PolarHBondContact O-N 2.93Å; F291-V299 HydrophobicContact CB-CG2 3.92Å; F291-V299 HydrophobicContact CD1-CG2 3.87Å; F291-V299 HydrophobicContact CG-CG2 3.85Å; F291-L388 HydrophobicContact CE1-CB 4.06Å; F291-L388 HydrophobicContact CZ-CB 3.72Å; F291-L388 HydrophobicContact CZ-CD1 4.33Å; F291-L392 HydrophobicContact CD1-CD1 4.49Å; F291-L392 HydrophobicContact CE1-CD1 3.79Å; F291-F427 HydrophobicContact CD2-CE2 4.22Å; F291-F427 AromaticContact CE2-CE2 3.96Å; F291-F427 HydrophobicContact CE2-CE2 3.96Å; F291-F427 AromaticContact CE2-CZ 3.89Å; F291-F427 HydrophobicContact CE2-CZ 3.89Å; F291-F427 HydrophobicContact CZ-CE2 4.42Å; F291-F427 HydrophobicContact CZ-CZ 4.07Å
292	K	88.9	Confident	91.7	Very high	94 Å²	94	19.8 Å²	19.8	41%	0.409	10%	0.097	S	C	.	.	H	α-helix	trans	-61.2	-46.2	175.9	-179.9	-177.2	178.3	-176.2	0	110.6	M253 D288 A289 T297	M253-K292 HydrophobicContact CE-CB 4.44Å; M253-K292 HydrophobicContact CE-CG 4.06Å; D288-K292 WeakPolarHBondContact O-CB 3.41Å; D288-K292 PolarHBondContact O-N 3.27Å; A289-K292 PolarHBondContact O-N 2.94Å; K292-T297 WeakPolarHBondContact CA-O 3.46Å; K292-T297 PolarHBondContact N-O 3.18Å
293	E	83.8	Confident	91.9	Very high	111 Å²	111	19.5 Å²	19.5	52%	0.519	10%	0.095	S	C	.	.	H	α-helix	trans	-69.8	-46.4	-178.3	-172.1	177.5	171.5	0	0	112.5	N166 A289 F291	N166-E293 PolarHBondContact ND2-OE2 2.76Å; A289-E293 WeakPolarHBondContact O-CB 3.5Å; A289-E293 PolarHBondContact O-N 2.93Å; A289-E293 VanDerWaalsContact O-N 3.13Å; F291-E293 VanDerWaalsContact C-N 3.34Å
294	H	85.4	Confident	92	Very high	35 Å²	35	19.6 Å²	19.6	16%	0.162	10%	0.096	C	C	.	.	H	α-helix	trans	-99.7	-27.8	-168.2	-67	-58.7	0	0	0	115.7	I290 R425 F427	I290-H294 PolarHBondContact O-CD2 3.48Å; I290-H294 PolarHBondContact O-N 3.42Å; I290-H294 VanDerWaalsContact O-N 3.08Å; H294-R425 PolarHBondContact CD2-O 3.33Å; H294-R425 VanDerWaalsContact CD2-O 3.28Å; H294-R425 PolarHBondContact NE2-O 2.98Å; H294-F427 HydrophobicContact CB-CD2 3.9Å
295	L	90.2	Very high	92.1	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-118.7	2.3	-172.3	-60.3	-178.2	0	0	0	113.2	F291 T297 I394 F427 I432 Y435	F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CE1-CD1 4.04Å; F291-L295 HydrophobicContact CG-CD1 4.38Å; F291-L295 HydrophobicContact CZ-CD1 4.49Å; F291-L295 CarbonylContact O-C 3.53Å; F291-L295 WeakPolarHBondContact O-CA 3.2Å; F291-L295 PolarHBondContact O-N 2.88Å; L295-T297 PolarHBondContact O-N 2.66Å; L295-T297 PolarHBondContact O-OG1 2.9Å; L295-I394 HydrophobicContact CD1-CD1 4.27Å; L295-F427 HydrophobicContact CD1-CD2 4.01Å; L295-F427 HydrophobicContact CD1-CE2 3.64Å; L295-F427 HydrophobicContact CD1-CZ 4.04Å; L295-F427 HydrophobicContact CD2-CD2 4.16Å; L295-F427 HydrophobicContact CD2-CG 4.41Å; L295-F427 HydrophobicContact CG-CD2 3.92Å; L295-F427 HydrophobicContact CG-CE2 4.01Å; L295-I432 HydrophobicContact CD2-CG1 4.4Å; L295-Y435 HydrophobicContact CB-CD1 4.5Å; L295-Y435 HydrophobicContact CB-CE1 4.25Å; L295-Y435 HydrophobicContact CD2-CD1 3.97Å; L295-Y435 HydrophobicContact CD2-CG 4.33Å
296	H	89.1	Confident	92.3	Very high	88 Å²	88	20.1 Å²	20.1	41%	0.407	10%	0.098	S	C	.	.	S	Bend	trans	49.9	43.4	-173.5	-151	71.6	0	0	0	111.1	E251 E252 M253 K254 F291	E251-H296 PolarHBondContact O-NE2 3.05Å; E252-H296 PolarHBondContact O-CD2 3.26Å; M253-H296 VanDerWaalsContact CA-CD2 3.45Å; M253-H296 WeakPolarHBondContact CA-CD2 3.49Å; M253-H296 VanDerWaalsContact CE-C 3.41Å; M253-H296 HydrophobicContact SD-CB 4.21Å; M253-H296 PolarHBondContact SD-CD2 3.3Å; M253-H296 PolarHBondContact SD-NE2 2Å; K254-H296 PolarHBondContact N-O 3.26Å; F291-H296 PolarHBondContact O-N 3.5Å
297	T	92.3	Very high	92.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.2	-174.4	-60.3	0	0	0	0	109.6	K254 L256 F291 K292 L295 Y435	K254-T297 HydrophobicContact CB-CG2 3.99Å; K254-T297 CarbonylContact O-C 3.44Å; K254-T297 WeakPolarHBondContact O-CA 3.29Å; L256-T297 HydrophobicContact CB-CG2 4.01Å; L256-T297 HydrophobicContact CD1-CG2 4.39Å; F291-T297 CarbonylContact C-O 3.58Å; F291-T297 VanDerWaalsContact CB-O 3.28Å; F291-T297 WeakPolarHBondContact CB-O 3.15Å; F291-T297 HydrophobicContact CD1-CG2 4.27Å; F291-T297 PolarHBondContact O-N 2.93Å; K292-T297 WeakPolarHBondContact CA-O 3.46Å; K292-T297 PolarHBondContact N-O 3.18Å; L295-T297 PolarHBondContact O-N 2.66Å; L295-T297 PolarHBondContact O-OG1 2.9Å; T297-Y435 PolarHBondContact OG1-OH 3.42Å
298	R	92.4	Very high	92.7	Very high	14 Å²	14	20.4 Å²	20.4	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.1	172.7	-60.9	-54.3	-62.9	-81.6	0.7	110.3	N126 D128 M253 K254 Y255 L256 D288 V300	N126-R298 PolarHBondContact OD1-NH2 2.9Å; D128-R298 IonicContact OD2-CZ 3.47Å; D128-R298 IonicContact OD2-NH1 3.53Å; D128-R298 PolarHBondContact OD2-NH1 2.92Å; D128-R298 IonicContact OD2-NH2 3.33Å; D128-R298 PolarHBondContact OD2-NH2 2.95Å; M253-R298 HydrophobicContact CE-CG 3.45Å; M253-R298 VanDerWaalsContact CE-CG 3.45Å; M253-R298 HydrophobicContact CG-CG 4.25Å; K254-R298 PolarHBondContact O-N 3.49Å; Y255-R298 HydrophobicContact CD1-CB 3.87Å; Y255-R298 HydrophobicContact CD1-CG 4.14Å; Y255-R298 HydrophobicContact CE1-CB 4.23Å; Y255-R298 HydrophobicContact CE1-CG 3.97Å; L256-R298 WeakPolarHBondContact CB-O 3.41Å; L256-R298 PolarHBondContact N-O 3.48Å; D288-R298 VanDerWaalsContact OD1-CA 3.31Å; D288-R298 WeakPolarHBondContact OD1-CA 3.49Å; D288-R298 IonicContact OD1-CZ 3.71Å; D288-R298 IonicContact OD1-NE 3.08Å; D288-R298 PolarHBondContact OD1-NE 2.75Å; D288-R298 IonicContact OD1-NH2 3.45Å; D288-R298 IonicContact OD2-CZ 2.61Å; D288-R298 IonicContact OD2-NE 3.83Å; D288-R298 PolarHBondContact OD2-NE 2.97Å; D288-R298 IonicContact OD2-NH2 3.43Å; D288-R298 PolarHBondContact OD2-NH2 3.11Å; R298-V300 HydrophobicContact CB-CG2 4.44Å
299	V	95.8	Very high	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	112	173.9	-177.6	0	0	0	0	109	I258 V284 V287 D288 F291	I258-V299 HydrophobicContact CD1-CG1 3.48Å; I258-V299 VanDerWaalsContact CD1-CG1 3.48Å; I258-V299 HydrophobicContact CG1-CG1 3.73Å; V284-V299 HydrophobicContact CG1-CG1 3.86Å; V287-V299 HydrophobicContact CG1-CG2 4.12Å; D288-V299 HydrophobicContact CB-CB 4.13Å; D288-V299 PolarHBondContact OD1-N 3.3Å; F291-V299 HydrophobicContact CB-CG2 3.92Å; F291-V299 HydrophobicContact CD1-CG2 3.87Å; F291-V299 HydrophobicContact CG-CG2 3.85Å
300	V	93.8	Very high	93	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.8	-173.3	-172.7	0	0	0	0	109.1	D128 Y255 L256 E257 I258 R298 P451	D128-V300 WeakPolarHBondContact O-CG2 3.36Å; Y255-V300 HydrophobicContact CD1-CG2 4.33Å; L256-V300 PolarHBondContact O-N 2.96Å; E257-V300 CarbonylContact C-O 3.43Å; E257-V300 WeakPolarHBondContact CA-O 3.42Å; I258-V300 PolarHBondContact N-O 3.41Å; R298-V300 HydrophobicContact CB-CG2 4.44Å; V300-P451 HydrophobicContact CB-CG 4.32Å; V300-P451 HydrophobicContact CG1-CB 4.28Å; V300-P451 HydrophobicContact CG1-CG 4.16Å; V300-P451 HydrophobicContact CG2-CG 4.09Å
301	L	94.9	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.7	178.5	-173.2	62.8	0	0	0	110	L129 L130 S131 Y134 I258 I260 K281 V284 A303 V304	L129-L301 WeakPolarHBondContact O-CB 3.28Å; L129-L301 PolarHBondContact O-N 3.08Å; L130-L301 HydrophobicContact CD2-CB 3.96Å; L130-L301 HydrophobicContact CD2-CD2 3.89Å; L130-L301 HydrophobicContact CD2-CG 4.32Å; S131-L301 PolarHBondContact N-O 3Å; Y134-L301 HydrophobicContact CD2-CG 4.35Å; Y134-L301 WeakPolarHBondContact CD2-O 3.47Å; Y134-L301 HydrophobicContact CE2-CD2 3.96Å; Y134-L301 HydrophobicContact CE2-CG 3.82Å; I258-L301 HydrophobicContact CG1-CD1 4.28Å; I258-L301 WeakPolarHBondContact O-CA 3.03Å; I258-L301 WeakPolarHBondContact O-CD1 3.26Å; I260-L301 HydrophobicContact CB-CD1 4.36Å; I260-L301 HydrophobicContact CG1-CD1 3.79Å; K281-L301 HydrophobicContact CB-CD2 4.48Å; K281-L301 HydrophobicContact CG-CD2 3.73Å; V284-L301 HydrophobicContact CG1-CB 4.22Å; V284-L301 HydrophobicContact CG2-CD1 4.24Å; L301-A303 WeakPolarHBondContact CD1-O 3.3Å; L301-V304 HydrophobicContact CD1-CG2 4.1Å; L301-V304 HydrophobicContact CD2-CG2 3.7Å; L301-V304 HydrophobicContact CG-CG2 4.17Å
302	V	93.6	Very high	93.6	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-24.5	-179.6	-60.6	0	0	0	0	113	Y134 V135 E257 I258 M259 H337 A338	Y134-V302 WeakPolarHBondContact CA-O 3.01Å; V135-V302 PolarHBondContact N-O 3.34Å; E257-V302 HydrophobicContact CB-CG1 3.75Å; E257-V302 HydrophobicContact CG-CG1 4.07Å; I258-V302 VanDerWaalsContact O-CG2 3.31Å; I258-V302 WeakPolarHBondContact O-CG2 3.33Å; I258-V302 PolarHBondContact O-N 3.49Å; M259-V302 HydrophobicContact CB-CG2 4.37Å; V302-H337 WeakPolarHBondContact CG2-O 3.35Å; V302-A338 HydrophobicContact CG2-CB 3.8Å
303	A	94.9	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	149.7	176.3	0	0	0	0	0	113.2	V135 M259 I260 L301 Q336	V135-A303 HydrophobicContact CG2-CB 3.65Å; V135-A303 VanDerWaalsContact O-CA 3.24Å; V135-A303 WeakPolarHBondContact O-CA 3.39Å; M259-A303 WeakPolarHBondContact CA-O 3.41Å; M259-A303 HydrophobicContact CB-CB 4.16Å; M259-A303 HydrophobicContact CE-CB 4.31Å; M259-A303 HydrophobicContact CG-CB 3.73Å; M259-A303 HydrophobicContact SD-CB 3.94Å; I260-A303 PolarHBondContact N-O 3.36Å; L301-A303 WeakPolarHBondContact CD1-O 3.3Å; A303-Q336 HydrophobicContact CB-CB 4.48Å; A303-Q336 HydrophobicContact CB-CG 4.21Å
304	V	97.4	Very high	94.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.3	164.9	175.4	0	0	0	0	109.4	Y134 V135 E136 I137 I260 R277 A280 L301 I306	Y134-V304 HydrophobicContact CE2-CG2 4.09Å; Y134-V304 WeakPolarHBondContact OH-CB 3.37Å; Y134-V304 WeakPolarHBondContact OH-CG2 3.42Å; V135-V304 PolarHBondContact O-N 3.37Å; E136-V304 CarbonylContact C-O 3.57Å; E136-V304 WeakPolarHBondContact CA-O 3.23Å; I137-V304 PolarHBondContact N-O 2.95Å; I260-V304 HydrophobicContact CB-CG2 4.49Å; I260-V304 CarbonylContact O-C 3.27Å; I260-V304 VanDerWaalsContact O-CA 3.32Å; I260-V304 WeakPolarHBondContact O-CA 3.22Å; R277-V304 HydrophobicContact CB-CG1 4.32Å; A280-V304 HydrophobicContact CB-CG1 4.48Å; A280-V304 HydrophobicContact CB-CG2 4.46Å; L301-V304 HydrophobicContact CD1-CG2 4.1Å; L301-V304 HydrophobicContact CD2-CG2 3.7Å; L301-V304 HydrophobicContact CG-CG2 4.17Å; V304-I306 HydrophobicContact CG1-CG1 4.18Å
305	E	97.4	Very high	95.1	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.6	174.3	-176.2	-175.2	151.4	0	0	110.5	I137 Y139 M259 I260 V261 S262 W307 Y329	I137-E305 HydrophobicContact CB-CB 4.14Å; I137-E305 HydrophobicContact CB-CG 4.06Å; I137-E305 HydrophobicContact CG2-CG 4.13Å; I137-E305 CarbonylContact O-C 3.56Å; I137-E305 WeakPolarHBondContact O-CA 3.4Å; Y139-E305 HydrophobicContact CE2-CG 4.14Å; Y139-E305 PolarHBondContact OH-OE1 3.02Å; Y139-E305 VanDerWaalsContact OH-OE1 3.1Å; M259-E305 HydrophobicContact CE-CB 3.63Å; M259-E305 HydrophobicContact CE-CG 4.48Å; M259-E305 WeakPolarHBondContact CE-OE2 3.22Å; I260-E305 PolarHBondContact O-N 2.85Å; V261-E305 CarbonylContact C-O 3.53Å; V261-E305 WeakPolarHBondContact CA-O 2.99Å; V261-E305 HydrophobicContact CG1-CB 4.41Å; V261-E305 HydrophobicContact CG2-CB 4.24Å; S262-E305 PolarHBondContact N-O 3.41Å; E305-W307 PolarHBondContact OE1-NE1 2.99Å; E305-Y329 PolarHBondContact OE1-OH 3.02Å
306	I	97.8	Very high	95.2	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120	179.2	-52.7	171	0	0	0	109.1	I137 Y267 T276 R277 V304 T308	I137-I306 PolarHBondContact O-N 3.1Å; Y267-I306 HydrophobicContact CD2-CG2 4.04Å; Y267-I306 HydrophobicContact CG-CG2 4.18Å; T276-I306 HydrophobicContact CG2-CD1 4.21Å; T276-I306 HydrophobicContact CG2-CG1 4.24Å; T276-I306 HydrophobicContact CG2-CG2 4.2Å; R277-I306 HydrophobicContact CB-CD1 4.22Å; V304-I306 HydrophobicContact CG1-CG1 4.18Å; I306-T308 VanDerWaalsContact C-N 3.25Å; I306-T308 HydrophobicContact CB-CG2 4.32Å; I306-T308 HydrophobicContact CG2-CG2 3.84Å; I306-T308 PolarHBondContact O-N 3.05Å
307	W	97.4	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.			trans	-76.7	72.2	175.7	-67.4	-8.4	0	0	0	111.7	Y139 V261 S262 D263 H264 E305 D309 K310 D311 H312 I313 I315 Y329 L343	Y139-W307 AromaticContact CE2-CD1 3.92Å; V261-W307 HydrophobicContact CG1-CD2 4.24Å; V261-W307 HydrophobicContact CG1-CH2 4.45Å; V261-W307 HydrophobicContact CG1-CZ2 3.68Å; S262-W307 PolarHBondContact O-N 3.26Å; D263-W307 HydrophobicContact CB-CE3 3.98Å; D263-W307 HydrophobicContact CB-CZ3 4.28Å; H264-W307 VanDerWaalsContact CA-O 3.25Å; H264-W307 WeakPolarHBondContact CA-O 3.37Å; H264-W307 HydrophobicContact CB-CB 4.43Å; H264-W307 WeakPolarHBondContact CB-O 3.02Å; H264-W307 PolarHBondContact ND1-O 3.05Å; E305-W307 PolarHBondContact OE1-NE1 2.99Å; W307-D309 PolarHBondContact O-N 3.22Å; W307-K310 WeakPolarHBondContact CB-O 3.12Å; W307-D311 HydrophobicContact CE3-CB 3.95Å; W307-D311 HydrophobicContact CZ3-CB 4.17Å; W307-H312 AromaticContact CD1-CD2 3.52Å; W307-H312 HydrophobicContact CD2-CB 4.27Å; W307-H312 AromaticContact CD2-CD2 3.89Å; W307-H312 AromaticContact CE2-CD2 3.89Å; W307-H312 AromaticContact CG-CD2 3.69Å; W307-H312 HydrophobicContact CH2-CB 4.18Å; W307-H312 HydrophobicContact CZ2-CB 3.78Å; W307-H312 AromaticContact NE1-CD2 3.63Å; W307-I313 HydrophobicContact CH2-CB 4.27Å; W307-I313 HydrophobicContact CH2-CD1 4.03Å; W307-I313 HydrophobicContact CH2-CG1 3.69Å; W307-I313 HydrophobicContact CH2-CG2 3.98Å; W307-I313 HydrophobicContact CZ3-CD1 4.45Å; W307-I313 HydrophobicContact CZ3-CG1 3.86Å; W307-I315 HydrophobicContact CZ3-CD1 4.19Å; W307-Y329 HydrophobicContact CZ2-CD1 4.01Å; W307-Y329 AromaticContact CZ2-CE1 3.72Å; W307-Y329 HydrophobicContact CZ2-CE1 3.72Å; W307-Y329 HydrophobicContact CZ2-CE2 4.4Å; W307-Y329 HydrophobicContact CZ2-CG 4.46Å; W307-Y329 AromaticContact CZ2-CZ 3.94Å; W307-L343 HydrophobicContact CH2-CD1 4.18Å; W307-L343 HydrophobicContact CZ3-CD1 4.27Å
308	T	96.5	Very high	95.6	Very high	11 Å²	11	35 Å²	35	7%	0.067	18%	0.181	C	C	.	.	S	Bend	trans	-67.3	-35.1	-174.8	42.8	0	0	0	0	114	H138 Y139 H264 Y267 K273 I306	H138-T308 HydrophobicContact CB-CG2 3.99Å; Y139-T308 WeakPolarHBondContact CA-OG1 3.45Å; Y139-T308 WeakPolarHBondContact CB-OG1 3.02Å; Y139-T308 PolarHBondContact N-OG1 3.29Å; Y139-T308 PolarHBondContact O-OG1 3.02Å; H264-T308 PolarHBondContact CE1-O 3.3Å; H264-T308 PolarHBondContact ND1-O 3Å; H264-T308 VanDerWaalsContact ND1-O 3.1Å; Y267-T308 HydrophobicContact CD1-CG2 4.42Å; Y267-T308 HydrophobicContact CD2-CG2 4.1Å; Y267-T308 HydrophobicContact CE1-CG2 4.3Å; Y267-T308 HydrophobicContact CE2-CG2 3.98Å; Y267-T308 HydrophobicContact CG-CG2 4.32Å; K273-T308 HydrophobicContact CD-CG2 4.09Å; K273-T308 HydrophobicContact CG-CG2 3.96Å; I306-T308 VanDerWaalsContact C-N 3.25Å; I306-T308 HydrophobicContact CB-CG2 4.32Å; I306-T308 HydrophobicContact CG2-CG2 3.84Å; I306-T308 PolarHBondContact O-N 3.05Å
309	D	94.6	Very high	95.7	Very high	67 Å²	67	34.5 Å²	34.5	36%	0.358	18%	0.18	S	C	.	.	S	Bend	trans	-87.3	-50	-176.3	-70.5	-15.8	0	0	0	112.6	E141 G142 H264 W307	E141-D309 PolarHBondContact N-OD2 3.25Å; G142-D309 WeakPolarHBondContact CA-OD2 3.47Å; G142-D309 PolarHBondContact N-OD2 2.91Å; H264-D309 PolarHBondContact CE1-O 2.81Å; H264-D309 VanDerWaalsContact CE1-O 3.29Å; W307-D309 PolarHBondContact O-N 3.22Å
310	K	95.4	Very high	95.6	Very high	134 Å²	134	35.4 Å²	35.4	58%	0.583	18%	0.184	S	C	*	.			trans	-164.4	164.4	-179.1	63.8	176.5	-177.1	177.9	0	111	W307 H312	W307-K310 WeakPolarHBondContact CB-O 3.12Å; K310-H312 PolarHBondContact O-CD2 3.21Å
311	D	97.4	Very high	95.6	Very high	44 Å²	44	38.3 Å²	38.3	24%	0.235	20%	0.2	C	C	.	.			trans	-68.6	139.6	171.4	-58.3	-54.6	0	0	0	111.9	H264 W307 I315	H264-D311 WeakPolarHBondContact CB-OD1 3.25Å; H264-D311 PolarHBondContact N-OD1 3.49Å; W307-D311 HydrophobicContact CE3-CB 3.95Å; W307-D311 HydrophobicContact CZ3-CB 4.17Å; D311-I315 HydrophobicContact CB-CD1 4.35Å; D311-I315 HydrophobicContact CB-CG1 3.96Å
312	H	96.3	Very high	95.7	Very high	67 Å²	67	38.3 Å²	38.3	31%	0.31	20%	0.2	S	C	.	.	S	Bend	trans	-94.3	-7.6	178.3	-72.2	-100.7	0	0	0	113.4	Y139 W307 K310 Y329	Y139-H312 AromaticContact CD1-NE2 3.87Å; Y139-H312 AromaticContact CE1-CE1 3.56Å; Y139-H312 AromaticContact CE1-NE2 3.62Å; Y139-H312 AromaticContact CE2-NE2 3.85Å; Y139-H312 AromaticContact CZ-CE1 3.79Å; Y139-H312 AromaticContact CZ-NE2 3.61Å; W307-H312 AromaticContact CD1-CD2 3.52Å; W307-H312 HydrophobicContact CD2-CB 4.27Å; W307-H312 AromaticContact CD2-CD2 3.89Å; W307-H312 AromaticContact CE2-CD2 3.89Å; W307-H312 AromaticContact CG-CD2 3.69Å; W307-H312 HydrophobicContact CH2-CB 4.18Å; W307-H312 HydrophobicContact CZ2-CB 3.78Å; W307-H312 AromaticContact NE1-CD2 3.63Å; K310-H312 PolarHBondContact O-CD2 3.21Å; H312-Y329 HydrophobicContact CB-CD2 4.07Å; H312-Y329 HydrophobicContact CB-CE2 3.57Å
313	I	97.3	Very high	95.8	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.082	20%	0.197	C	C	.	.	S	Bend	trans	-130.5	161	171.6	74	-179.9	0	0	0	110.4	W307 I315 M322 D325 F326 Y329 L343	W307-I313 HydrophobicContact CH2-CB 4.27Å; W307-I313 HydrophobicContact CH2-CD1 4.03Å; W307-I313 HydrophobicContact CH2-CG1 3.69Å; W307-I313 HydrophobicContact CH2-CG2 3.98Å; W307-I313 HydrophobicContact CZ3-CD1 4.45Å; W307-I313 HydrophobicContact CZ3-CG1 3.86Å; I313-I315 HydrophobicContact CG1-CD1 4.01Å; I313-I315 PolarHBondContact O-N 3.44Å; I313-M322 HydrophobicContact CD1-CG 4.07Å; I313-D325 HydrophobicContact CB-CB 4.46Å; I313-F326 HydrophobicContact CD1-CB 3.83Å; I313-F326 HydrophobicContact CD1-CD2 4.08Å; I313-F326 HydrophobicContact CD1-CG 4.4Å; I313-Y329 HydrophobicContact CG2-CD2 4.19Å; I313-Y329 HydrophobicContact CG2-CG 3.98Å; I313-L343 HydrophobicContact CD1-CD2 3.79Å
314	P	96.8	Very high	95.9	Very high	91 Å²	91	41.4 Å²	41.4	59%	0.591	21%	0.213	S	C	*	.			trans	-64.1	117.8	168.2	-18.8	32.8	0	0	0	111.4
315	I	95.2	Very high	95.9	Very high	48 Å²	48	43.6 Å²	43.6	25%	0.246	22%	0.224	C	C	.	.			trans	-82.2	129.5	174.9	-55.3	-58.3	0	0	0	109.7	D263 W307 D311 I313 M322 V347	D263-I315 HydrophobicContact CB-CD1 4.14Å; W307-I315 HydrophobicContact CZ3-CD1 4.19Å; D311-I315 HydrophobicContact CB-CD1 4.35Å; D311-I315 HydrophobicContact CB-CG1 3.96Å; I313-I315 HydrophobicContact CG1-CD1 4.01Å; I313-I315 PolarHBondContact O-N 3.44Å; I315-M322 HydrophobicContact CB-CE 4.49Å; I315-M322 HydrophobicContact CG2-CE 3.75Å; I315-V347 HydrophobicContact CG2-CB 4.27Å; I315-V347 HydrophobicContact CG2-CG2 3.43Å; I315-V347 VanDerWaalsContact CG2-CG2 3.43Å
316	S	93.3	Very high	95.9	Very high	34 Å²	34	43.4 Å²	43.4	24%	0.238	22%	0.223	C	C	.	.			trans	-130.6	154.1	-175	-179.4	0	0	0	0	112	K318 M322	S316-K318 PolarHBondContact O-N 2.89Å; S316-K318 PolarHBondContact OG-N 3.42Å; S316-K318 VanDerWaalsContact OG-N 3.09Å; S316-M322 WeakPolarHBondContact O-CE 3.26Å
317	V	94.1	Very high	95.9	Very high	57 Å²	57	43.7 Å²	43.7	35%	0.345	23%	0.226	S	C	.	.	S	Bend	trans	-77.3	-8.9	168.7	-61.6	0	0	0	0	112.5	P319 V347 F349 H350	V317-P319 WeakPolarHBondContact O-CD 3.35Å; V317-V347 HydrophobicContact CB-CG1 4.47Å; V317-V347 HydrophobicContact CG1-CG1 3.86Å; V317-F349 CarbonylContact O-C 3.58Å; V317-F349 WeakPolarHBondContact O-CA 3.25Å; V317-H350 HydrophobicContact CB-CB 4.39Å; V317-H350 HydrophobicContact CG2-CB 4.26Å; V317-H350 PolarHBondContact O-N 2.04Å
318	K	95.2	Very high	95.9	Very high	124 Å²	124	48.9 Å²	48.9	54%	0.539	25%	0.249	S	C	.	.			trans	-96.6	108.2	176.8	-65.5	175.3	177.2	-178.5	0	109	S316 L320 D321 M322	S316-K318 PolarHBondContact O-N 2.89Å; S316-K318 PolarHBondContact OG-N 3.42Å; S316-K318 VanDerWaalsContact OG-N 3.09Å; K318-L320 VanDerWaalsContact C-N 3.28Å; K318-L320 PolarHBondContact O-N 3.36Å; K318-D321 HydrophobicContact CB-CB 4.26Å; K318-D321 WeakPolarHBondContact CD-OD2 3.48Å; K318-D321 PolarHBondContact O-N 2.98Å; K318-M322 PolarHBondContact O-N 2.71Å
319	P	94.1	Very high	95.9	Very high	4 Å²	4	49 Å²	49	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-32.7	-172.2	22.8	-32.3	0	0	0	112.8	V317 M322 L323 F349 Y351 A356 V371	V317-P319 WeakPolarHBondContact O-CD 3.35Å; P319-M322 PolarHBondContact O-N 3.27Å; P319-L323 VanDerWaalsContact O-CB 3.3Å; P319-L323 WeakPolarHBondContact O-CB 3.34Å; P319-L323 PolarHBondContact O-N 2.7Å; P319-F349 HydrophobicContact CB-CD1 4.02Å; P319-F349 HydrophobicContact CB-CD2 3.75Å; P319-F349 HydrophobicContact CB-CE1 4.08Å; P319-F349 HydrophobicContact CB-CE2 3.8Å; P319-F349 HydrophobicContact CB-CG 3.88Å; P319-F349 HydrophobicContact CB-CZ 3.97Å; P319-F349 HydrophobicContact CG-CB 4.23Å; P319-F349 HydrophobicContact CG-CD1 4.45Å; P319-F349 HydrophobicContact CG-CD2 4.13Å; P319-F349 HydrophobicContact CG-CG 4.03Å; P319-Y351 HydrophobicContact CG-CD1 3.83Å; P319-Y351 HydrophobicContact CG-CD2 4.37Å; P319-Y351 HydrophobicContact CG-CG 3.7Å; P319-A356 HydrophobicContact CB-CB 3.92Å; P319-A356 HydrophobicContact CG-CB 4.5Å; P319-V371 HydrophobicContact CB-CG2 3.99Å
320	L	94.1	Very high	96	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-33.1	-179.6	-60.9	-179.1	0	0	0	113.7	K318 L323 K324 A356 E656	K318-L320 VanDerWaalsContact C-N 3.28Å; K318-L320 PolarHBondContact O-N 3.36Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; L320-K324 WeakPolarHBondContact O-CD 3.03Å; L320-K324 VanDerWaalsContact O-CG 3.28Å; L320-K324 WeakPolarHBondContact O-CG 3.44Å; L320-K324 PolarHBondContact O-N 3.05Å; L320-A356 HydrophobicContact CD2-CB 4.03Å; L320-E656 HydrophobicContact CD1-CB 4.46Å; L320-E656 HydrophobicContact CD1-CG 3.52Å; L320-E656 WeakPolarHBondContact CD1-OE1 3.48Å
321	D	94.7	Very high	96	Very high	66 Å²	66	43 Å²	43	35%	0.353	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-44.1	173.1	-66.7	-22.9	0	0	0	109.7	K318 L323 K324 D325	K318-D321 HydrophobicContact CB-CB 4.26Å; K318-D321 WeakPolarHBondContact CD-OD2 3.48Å; K318-D321 PolarHBondContact O-N 2.98Å; D321-L323 PolarHBondContact O-N 2.81Å; D321-K324 PolarHBondContact O-N 2.55Å; D321-D325 PolarHBondContact O-N 3.2Å; D321-D325 VanDerWaalsContact O-N 3.14Å
322	M	95.9	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-41.2	176.3	-171.4	-173.4	-66.3	0	0	112.2	I313 I315 S316 K318 P319 K324 D325 F326 L343 T345 F349 V371	I313-M322 HydrophobicContact CD1-CG 4.07Å; I315-M322 HydrophobicContact CB-CE 4.49Å; I315-M322 HydrophobicContact CG2-CE 3.75Å; S316-M322 WeakPolarHBondContact O-CE 3.26Å; K318-M322 PolarHBondContact O-N 2.71Å; P319-M322 PolarHBondContact O-N 3.27Å; M322-K324 VanDerWaalsContact C-N 3.34Å; M322-K324 PolarHBondContact O-N 3.23Å; M322-D325 PolarHBondContact O-N 3.23Å; M322-F326 VanDerWaalsContact O-CB 3.23Å; M322-F326 WeakPolarHBondContact O-CB 3.34Å; M322-F326 PolarHBondContact O-N 2.97Å; M322-L343 HydrophobicContact CG-CD2 4.01Å; M322-L343 HydrophobicContact SD-CD2 3.64Å; M322-T345 HydrophobicContact CE-CG2 4.18Å; M322-T345 HydrophobicContact SD-CG2 4.02Å; M322-F349 HydrophobicContact CE-CE1 3.97Å; M322-F349 HydrophobicContact SD-CE1 4.19Å; M322-F349 HydrophobicContact SD-CZ 4.36Å; M322-V371 HydrophobicContact CG-CG1 4.05Å; M322-V371 HydrophobicContact SD-CB 4.17Å; M322-V371 HydrophobicContact SD-CG1 4.16Å
323	L	96.6	Very high	95.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-43.9	177	-176.9	66.8	0	0	0	111.4	P319 L320 D321 F326 S327 A356 Y358 V369 V371	P319-L323 VanDerWaalsContact O-CB 3.3Å; P319-L323 WeakPolarHBondContact O-CB 3.34Å; P319-L323 PolarHBondContact O-N 2.7Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; D321-L323 PolarHBondContact O-N 2.81Å; L323-F326 PolarHBondContact O-N 2.75Å; L323-S327 WeakPolarHBondContact O-CB 3.42Å; L323-S327 PolarHBondContact O-N 3.33Å; L323-A356 HydrophobicContact CD2-CB 4.47Å; L323-Y358 HydrophobicContact CD1-CD2 4.34Å; L323-Y358 HydrophobicContact CD1-CE2 4.27Å; L323-Y358 HydrophobicContact CD2-CD1 4.2Å; L323-Y358 HydrophobicContact CD2-CD2 4.16Å; L323-Y358 HydrophobicContact CD2-CE1 4.11Å; L323-Y358 HydrophobicContact CD2-CE2 4.08Å; L323-Y358 HydrophobicContact CD2-CG 4.22Å; L323-Y358 HydrophobicContact CG-CD2 4.15Å; L323-Y358 HydrophobicContact CG-CE2 3.77Å; L323-V369 HydrophobicContact CD1-CB 4.45Å; L323-V369 HydrophobicContact CD1-CG2 3.83Å; L323-V371 HydrophobicContact CB-CG1 4.34Å; L323-V371 HydrophobicContact CB-CG2 4.34Å; L323-V371 HydrophobicContact CD1-CG1 4.2Å
324	K	96.2	Very high	95.6	Very high	75 Å²	75	48.4 Å²	48.4	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.2	-71.7	165.3	-169.9	165.5	0	111.9	L320 D321 M322 K328 Y358 E656	L320-K324 WeakPolarHBondContact O-CD 3.03Å; L320-K324 VanDerWaalsContact O-CG 3.28Å; L320-K324 WeakPolarHBondContact O-CG 3.44Å; L320-K324 PolarHBondContact O-N 3.05Å; D321-K324 PolarHBondContact O-N 2.55Å; M322-K324 VanDerWaalsContact C-N 3.34Å; M322-K324 PolarHBondContact O-N 3.23Å; K324-K328 WeakPolarHBondContact O-CG 3.39Å; K324-K328 PolarHBondContact O-N 3.48Å; K324-Y358 WeakPolarHBondContact CG-OH 3.32Å; K324-E656 IonicContact NZ-OE2 2.8Å; K324-E656 PolarHBondContact NZ-OE2 3.41Å
325	D	97.4	Very high	95.4	Very high	47 Å²	47	53.1 Å²	53.1	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-74.6	-34.7	178.7	-72.5	-22.1	0	0	0	112.5	I313 D321 M322 K328 Y329	I313-D325 HydrophobicContact CB-CB 4.46Å; D321-D325 PolarHBondContact O-N 3.2Å; D321-D325 VanDerWaalsContact O-N 3.14Å; M322-D325 PolarHBondContact O-N 3.23Å; D325-K328 PolarHBondContact O-N 3.39Å; D325-K328 IonicContact OD1-NZ 2.66Å; D325-K328 PolarHBondContact OD1-NZ 3.4Å; D325-Y329 PolarHBondContact O-N 3.44Å
326	F	98	Very high	95.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-36.6	175	-171.6	-120.6	0	0	0	112.7	V261 I313 M322 L323 K328 Y329 R330 V341 L343 V369 V371	V261-F326 HydrophobicContact CB-CE2 4.01Å; V261-F326 HydrophobicContact CB-CZ 3.95Å; V261-F326 HydrophobicContact CG1-CE2 4.25Å; V261-F326 HydrophobicContact CG2-CE2 3.98Å; V261-F326 HydrophobicContact CG2-CZ 3.77Å; I313-F326 HydrophobicContact CD1-CB 3.83Å; I313-F326 HydrophobicContact CD1-CD2 4.08Å; I313-F326 HydrophobicContact CD1-CG 4.4Å; M322-F326 VanDerWaalsContact O-CB 3.23Å; M322-F326 WeakPolarHBondContact O-CB 3.34Å; M322-F326 PolarHBondContact O-N 2.97Å; L323-F326 PolarHBondContact O-N 2.75Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.16Å; F326-Y329 HydrophobicContact CD2-CD1 4.15Å; F326-Y329 AromaticContact CE2-CD1 3.97Å; F326-Y329 HydrophobicContact CE2-CD1 3.97Å; F326-Y329 WeakPolarHBondContact O-CB 2.99Å; F326-Y329 PolarHBondContact O-N 3.23Å; F326-Y329 VanDerWaalsContact O-N 3.16Å; F326-R330 PolarHBondContact O-N 3.43Å; F326-V341 HydrophobicContact CE1-CG1 4.16Å; F326-V341 WeakPolarHBondContact CE1-O 3.28Å; F326-V341 HydrophobicContact CZ-CG1 3.8Å; F326-L343 HydrophobicContact CD1-CB 3.95Å; F326-L343 HydrophobicContact CD2-CB 4.12Å; F326-L343 HydrophobicContact CD2-CD1 4.45Å; F326-L343 HydrophobicContact CD2-CD2 4.13Å; F326-L343 HydrophobicContact CD2-CG 4.48Å; F326-L343 HydrophobicContact CE1-CB 3.74Å; F326-L343 HydrophobicContact CE2-CB 3.92Å; F326-L343 HydrophobicContact CE2-CD1 4.11Å; F326-L343 HydrophobicContact CE2-CG 4.42Å; F326-L343 HydrophobicContact CG-CB 4.13Å; F326-L343 HydrophobicContact CG-CD2 4.3Å; F326-L343 HydrophobicContact CZ-CB 3.73Å; F326-V369 HydrophobicContact CD1-CB 4.17Å; F326-V369 HydrophobicContact CD1-CG1 4.47Å; F326-V369 HydrophobicContact CE1-CB 4.46Å; F326-V371 HydrophobicContact CB-CG1 4.32Å; F326-V371 HydrophobicContact CD1-CG1 4.32Å
327	S	97.3	Very high	95	Very high	14 Å²	14	58.2 Å²	58.2	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-55.6	-46.8	170.2	173.5	0	0	0	0	112.3	L323 Y329 R330 A331 S366	L323-S327 WeakPolarHBondContact O-CB 3.42Å; L323-S327 PolarHBondContact O-N 3.33Å; S327-Y329 VanDerWaalsContact C-N 3.33Å; S327-Y329 PolarHBondContact O-N 2.82Å; S327-R330 PolarHBondContact O-N 3.46Å; S327-A331 PolarHBondContact O-N 3.14Å; S327-A331 VanDerWaalsContact O-N 3.08Å; S327-S366 WeakPolarHBondContact CB-O 3.34Å; S327-S366 PolarHBondContact OG-O 3.01Å
328	K	97.1	Very high	95	Very high	108 Å²	108	56 Å²	56	47%	0.47	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-41	175.8	-63.9	168.6	-163.5	156	0	111.2	K324 D325 F326 A331 Q332	K324-K328 WeakPolarHBondContact O-CG 3.39Å; K324-K328 PolarHBondContact O-N 3.48Å; D325-K328 PolarHBondContact O-N 3.39Å; D325-K328 IonicContact OD1-NZ 2.66Å; D325-K328 PolarHBondContact OD1-NZ 3.4Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.16Å; K328-A331 PolarHBondContact O-N 3.43Å; K328-Q332 WeakPolarHBondContact O-CB 3.27Å; K328-Q332 VanDerWaalsContact O-CG 3.24Å; K328-Q332 WeakPolarHBondContact O-CG 3.3Å; K328-Q332 PolarHBondContact O-N 3.3Å
329	Y	97.3	Very high	95	Very high	14 Å²	14	50.2 Å²	50.2	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-49	176.6	178.5	-103.4	0	0	0	111.7	Y139 E305 W307 H312 I313 D325 F326 S327 A331 Q332 S333 I334	Y139-Y329 PolarHBondContact OH-OH 3.17Å; E305-Y329 PolarHBondContact OE1-OH 3.02Å; W307-Y329 HydrophobicContact CZ2-CD1 4.01Å; W307-Y329 AromaticContact CZ2-CE1 3.72Å; W307-Y329 HydrophobicContact CZ2-CE1 3.72Å; W307-Y329 HydrophobicContact CZ2-CE2 4.4Å; W307-Y329 HydrophobicContact CZ2-CG 4.46Å; W307-Y329 AromaticContact CZ2-CZ 3.94Å; H312-Y329 HydrophobicContact CB-CD2 4.07Å; H312-Y329 HydrophobicContact CB-CE2 3.57Å; I313-Y329 HydrophobicContact CG2-CD2 4.19Å; I313-Y329 HydrophobicContact CG2-CG 3.98Å; D325-Y329 PolarHBondContact O-N 3.44Å; F326-Y329 HydrophobicContact CD2-CD1 4.15Å; F326-Y329 AromaticContact CE2-CD1 3.97Å; F326-Y329 HydrophobicContact CE2-CD1 3.97Å; F326-Y329 WeakPolarHBondContact O-CB 2.99Å; F326-Y329 PolarHBondContact O-N 3.23Å; F326-Y329 VanDerWaalsContact O-N 3.16Å; S327-Y329 VanDerWaalsContact C-N 3.33Å; S327-Y329 PolarHBondContact O-N 2.82Å; Y329-A331 PolarHBondContact O-N 2.83Å; Y329-Q332 PolarHBondContact O-N 2.9Å; Y329-S333 WeakPolarHBondContact CE2-OG 3.06Å; Y329-S333 WeakPolarHBondContact O-CB 3.39Å; Y329-S333 PolarHBondContact O-N 2.86Å; Y329-I334 HydrophobicContact CD1-CD1 4.09Å; Y329-I334 HydrophobicContact CD1-CG1 4.19Å; Y329-I334 HydrophobicContact CE1-CD1 3.94Å; Y329-I334 HydrophobicContact CE1-CG1 3.81Å
330	R	97.1	Very high	95.2	Very high	14 Å²	14	50 Å²	50	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-51.6	175.5	176.9	176	178.1	-156.4	13.8	111.3	F326 S327 Q332 I334 A338 D339 V341 S364 V365 G368 V369	F326-R330 PolarHBondContact O-N 3.43Å; S327-R330 PolarHBondContact O-N 3.46Å; R330-Q332 PolarHBondContact O-N 3.07Å; R330-I334 HydrophobicContact CB-CD1 4.17Å; R330-I334 HydrophobicContact CG-CB 4.5Å; R330-I334 HydrophobicContact CG-CD1 4.32Å; R330-I334 PolarHBondContact O-N 3.43Å; R330-A338 PolarHBondContact NH2-O 2.83Å; R330-D339 PolarHBondContact NH2-O 3.36Å; R330-D339 VanDerWaalsContact NH2-O 3.11Å; R330-V341 VanDerWaalsContact CD-CG2 3.47Å; R330-V341 HydrophobicContact CG-CG2 4.13Å; R330-V341 VanDerWaalsContact NE-CG2 3.28Å; R330-S364 PolarHBondContact NH1-O 3.47Å; R330-S364 PolarHBondContact NH2-O 2.95Å; R330-V365 WeakPolarHBondContact CD-O 3.08Å; R330-V365 HydrophobicContact CG-CG1 4.41Å; R330-V365 PolarHBondContact NE-O 3.45Å; R330-V365 PolarHBondContact NH1-O 3.08Å; R330-G368 PolarHBondContact NH1-O 3.27Å; R330-V369 HydrophobicContact CB-CG1 4.12Å; R330-V369 HydrophobicContact CG-CG1 4.38Å
331	A	94.8	Very high	95.4	Very high	60 Å²	60	49.2 Å²	49.2	50%	0.496	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-26.6	-176.8	0	0	0	0	0	114	S327 K328 Y329 V365	S327-A331 PolarHBondContact O-N 3.14Å; S327-A331 VanDerWaalsContact O-N 3.08Å; K328-A331 PolarHBondContact O-N 3.43Å; Y329-A331 PolarHBondContact O-N 2.83Å; A331-V365 HydrophobicContact CB-CG1 4.33Å
332	Q	95.2	Very high	95.6	Very high	158 Å²	158	46 Å²	46	74%	0.738	23%	0.23	S	C	*	.	H	α-helix	trans	-104.1	-30.1	-173	-66.7	173.4	3.2	0	0	114.1	K328 Y329 R330	K328-Q332 WeakPolarHBondContact O-CB 3.27Å; K328-Q332 VanDerWaalsContact O-CG 3.24Å; K328-Q332 WeakPolarHBondContact O-CG 3.3Å; K328-Q332 PolarHBondContact O-N 3.3Å; Y329-Q332 PolarHBondContact O-N 2.9Å; R330-Q332 PolarHBondContact O-N 3.07Å
333	S	93.7	Very high	95.7	Very high	59 Å²	59	46 Å²	46	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-120.5	-31.3	-165.1	-53	0	0	0	0	114	Y329	Y329-S333 WeakPolarHBondContact CE2-OG 3.06Å; Y329-S333 WeakPolarHBondContact O-CB 3.39Å; Y329-S333 PolarHBondContact O-N 2.86Å
334	I	94.6	Very high	95.8	Very high	24 Å²	24	46 Å²	46	12%	0.123	23%	0.23	C	C	.	.			trans	-84.3	129	-177.4	-61.2	-178.3	0	0	0	109.3	M259 V261 Y329 R330 Q336 V341	M259-I334 HydrophobicContact CE-CD1 4.17Å; M259-I334 HydrophobicContact CE-CG1 4.42Å; M259-I334 HydrophobicContact CE-CG2 4.14Å; M259-I334 HydrophobicContact SD-CD1 4.17Å; M259-I334 HydrophobicContact SD-CG2 3.55Å; M259-I334 VanDerWaalsContact SD-CG2 3.55Å; V261-I334 HydrophobicContact CG2-CD1 4.23Å; Y329-I334 HydrophobicContact CD1-CD1 4.09Å; Y329-I334 HydrophobicContact CD1-CG1 4.19Å; Y329-I334 HydrophobicContact CE1-CD1 3.94Å; Y329-I334 HydrophobicContact CE1-CG1 3.81Å; R330-I334 HydrophobicContact CB-CD1 4.17Å; R330-I334 HydrophobicContact CG-CB 4.5Å; R330-I334 HydrophobicContact CG-CD1 4.32Å; R330-I334 PolarHBondContact O-N 3.43Å; I334-Q336 HydrophobicContact CG2-CB 4.45Å; I334-V341 HydrophobicContact CD1-CG1 3.76Å
335	K	90.9	Very high	95.8	Very high	191 Å²	191	42.4 Å²	42.4	83%	0.83	21%	0.214	S	C	*	.			trans	-110	-18.2	-179.1	-62.8	-177.3	-178.3	179.4	0	113.4
336	Q	90.4	Very high	95.7	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.262	22%	0.215	S	C	.	.	S	Bend	trans	-67.2	133.4	178.8	-71.9	64.7	36.9	0	0	109	V135 I137 M259 A303 I334 A338	V135-Q336 HydrophobicContact CG2-CG 3.77Å; I137-Q336 HydrophobicContact CD1-CG 4.43Å; M259-Q336 HydrophobicContact SD-CB 4.22Å; A303-Q336 HydrophobicContact CB-CB 4.48Å; A303-Q336 HydrophobicContact CB-CG 4.21Å; I334-Q336 HydrophobicContact CG2-CB 4.45Å; Q336-A338 PolarHBondContact O-N 2.56Å
337	H	90.5	Very high	95.4	Very high	133 Å²	133	43.9 Å²	43.9	62%	0.616	22%	0.223	S	C	*	.			trans	-66.6	130	169.8	-175.3	-91.9	0	0	0	108.8	E257 V302 D339	E257-H337 IonicContact OE2-CE1 3.49Å; E257-H337 IonicContact OE2-ND1 3.8Å; E257-H337 PolarHBondContact OE2-ND1 2.03Å; V302-H337 WeakPolarHBondContact CG2-O 3.35Å; H337-D339 IonicContact CE1-OD1 3.83Å
338	A	94	Very high	95.1	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	25%	0.248	C	C	.	.			trans	-159.9	139	174	0	0	0	0	0	108.4	E257 M259 V302 R330 Q336 S340 V341	E257-A338 CarbonylContact O-C 3.59Å; M259-A338 HydrophobicContact CB-CB 4.03Å; V302-A338 HydrophobicContact CG2-CB 3.8Å; R330-A338 PolarHBondContact NH2-O 2.83Å; Q336-A338 PolarHBondContact O-N 2.56Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-V341 HydrophobicContact CB-CG2 4.13Å
339	D	95.9	Very high	94.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	-65.3	-42.6	177.3	-57.7	-30.1	0	0	0	110.6	E257 R330 H337 M362 C363 C446 L447	E257-D339 WeakPolarHBondContact CB-OD2 3.18Å; E257-D339 PolarHBondContact N-OD2 2.92Å; E257-D339 WeakPolarHBondContact O-CB 3.46Å; E257-D339 PolarHBondContact O-N 2.93Å; R330-D339 PolarHBondContact NH2-O 3.36Å; R330-D339 VanDerWaalsContact NH2-O 3.11Å; H337-D339 IonicContact CE1-OD1 3.83Å; D339-M362 HydrophobicContact CB-SD 3.85Å; D339-C363 PolarHBondContact O-N 2.76Å; D339-C446 WeakPolarHBondContact OD1-CB 3.33Å; D339-C446 PolarHBondContact OD1-SG 3.09Å; D339-L447 HydrophobicContact CB-CD2 4.44Å
340	S	97.6	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.7	174.8	-162.6	0	0	0	0	113.2	E257 I258 M259 A338 H342 G368 N391	E257-S340 PolarHBondContact O-N 3.48Å; I258-S340 VanDerWaalsContact CA-O 3.28Å; I258-S340 WeakPolarHBondContact CA-O 3.09Å; M259-S340 PolarHBondContact N-O 3.43Å; A338-S340 VanDerWaalsContact C-N 3.34Å; S340-H342 PolarHBondContact OG-CD2 3.24Å; S340-H342 PolarHBondContact OG-NE2 2.96Å; S340-G368 CarbonylContact C-O 3.6Å; S340-G368 VanDerWaalsContact CA-O 3.22Å; S340-G368 WeakPolarHBondContact CA-O 3.49Å; S340-G368 VanDerWaalsContact OG-C 3.28Å; S340-G368 PolarHBondContact OG-O 2.86Å; S340-N391 PolarHBondContact OG-OD1 2.02Å; S340-N391 VanDerWaalsContact OG-OD1 3.06Å
341	V	98.5	Very high	93.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.4	178.2	-171.6	0	0	0	0	109.9	M259 V261 F326 R330 I334 A338 G368 V369 G370	M259-V341 HydrophobicContact CB-CG1 4.09Å; M259-V341 HydrophobicContact CB-CG2 4.16Å; M259-V341 HydrophobicContact CG-CG1 4.05Å; M259-V341 CarbonylContact O-C 3.26Å; M259-V341 WeakPolarHBondContact O-CA 3.49Å; M259-V341 HydrophobicContact SD-CG1 4.38Å; V261-V341 HydrophobicContact CG2-CG1 3.93Å; F326-V341 HydrophobicContact CE1-CG1 4.16Å; F326-V341 WeakPolarHBondContact CE1-O 3.28Å; F326-V341 HydrophobicContact CZ-CG1 3.8Å; R330-V341 VanDerWaalsContact CD-CG2 3.47Å; R330-V341 HydrophobicContact CG-CG2 4.13Å; R330-V341 VanDerWaalsContact NE-CG2 3.28Å; I334-V341 HydrophobicContact CD1-CG1 3.76Å; A338-V341 HydrophobicContact CB-CG2 4.13Å; V341-G368 PolarHBondContact N-O 2.9Å; V341-V369 WeakPolarHBondContact O-CA 3.27Å; V341-G370 PolarHBondContact O-N 3.09Å
342	H	98.6	Very high	93.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.1	-176.2	-68.8	-112.4	0	0	0	112	M259 I260 V261 S340 G370 L384 S387 L388 N391	M259-H342 PolarHBondContact O-N 3.48Å; I260-H342 WeakPolarHBondContact CA-O 3.41Å; I260-H342 HydrophobicContact CD1-CB 3.95Å; V261-H342 PolarHBondContact N-O 3.18Å; S340-H342 PolarHBondContact OG-CD2 3.24Å; S340-H342 PolarHBondContact OG-NE2 2.96Å; H342-G370 CarbonylContact C-O 3.54Å; H342-G370 VanDerWaalsContact CA-O 3.29Å; H342-G370 WeakPolarHBondContact CA-O 3.34Å; H342-L384 HydrophobicContact CB-CD1 3.91Å; H342-S387 PolarHBondContact CE1-OG 3.35Å; H342-S387 PolarHBondContact ND1-OG 2.89Å; H342-S387 VanDerWaalsContact ND1-OG 3.1Å; H342-L388 WeakPolarHBondContact NE2-CD2 3.31Å; H342-N391 PolarHBondContact CE1-OD1 2.02Å; H342-N391 PolarHBondContact NE2-OD1 3.19Å
343	L	98.6	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131	174.2	-177.7	65.1	0	0	0	110.3	V261 D263 W307 I313 M322 F326 G370 V371 N372	V261-L343 HydrophobicContact CB-CD1 4.03Å; V261-L343 HydrophobicContact CG1-CD1 3.86Å; V261-L343 CarbonylContact O-C 3.59Å; V261-L343 WeakPolarHBondContact O-CA 3.43Å; D263-L343 HydrophobicContact CB-CD1 4.28Å; W307-L343 HydrophobicContact CH2-CD1 4.18Å; W307-L343 HydrophobicContact CZ3-CD1 4.27Å; I313-L343 HydrophobicContact CD1-CD2 3.79Å; M322-L343 HydrophobicContact CG-CD2 4.01Å; M322-L343 HydrophobicContact SD-CD2 3.64Å; F326-L343 HydrophobicContact CD1-CB 3.95Å; F326-L343 HydrophobicContact CD2-CB 4.12Å; F326-L343 HydrophobicContact CD2-CD1 4.45Å; F326-L343 HydrophobicContact CD2-CD2 4.13Å; F326-L343 HydrophobicContact CD2-CG 4.48Å; F326-L343 HydrophobicContact CE1-CB 3.74Å; F326-L343 HydrophobicContact CE2-CB 3.92Å; F326-L343 HydrophobicContact CE2-CD1 4.11Å; F326-L343 HydrophobicContact CE2-CG 4.42Å; F326-L343 HydrophobicContact CG-CB 4.13Å; F326-L343 HydrophobicContact CG-CD2 4.3Å; F326-L343 HydrophobicContact CZ-CB 3.73Å; L343-G370 PolarHBondContact N-O 3.38Å; L343-V371 HydrophobicContact CB-CG1 4.12Å; L343-V371 HydrophobicContact CD2-CG1 4.25Å; L343-N372 PolarHBondContact O-N 3.07Å; L343-N372 PolarHBondContact O-ND2 3.48Å
344	F	98.3	Very high	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.5	167.1	-71.6	-0.9	0	0	0	109.2	I260 V261 D263 M266 A280 V283 N372 M380 L384	I260-F344 HydrophobicContact CD1-CE1 4.1Å; I260-F344 HydrophobicContact CD1-CZ 4.02Å; I260-F344 HydrophobicContact CG2-CD1 4.33Å; I260-F344 HydrophobicContact CG2-CD2 3.71Å; I260-F344 HydrophobicContact CG2-CE1 4.43Å; I260-F344 HydrophobicContact CG2-CE2 3.83Å; I260-F344 HydrophobicContact CG2-CG 3.99Å; I260-F344 HydrophobicContact CG2-CZ 4.19Å; V261-F344 PolarHBondContact O-N 2.9Å; D263-F344 PolarHBondContact N-O 3.11Å; M266-F344 HydrophobicContact CE-CB 4.38Å; M266-F344 HydrophobicContact CG-CB 4.36Å; M266-F344 WeakPolarHBondContact CG-O 3.32Å; A280-F344 HydrophobicContact CB-CE2 4.32Å; V283-F344 HydrophobicContact CB-CE2 4.28Å; V283-F344 HydrophobicContact CB-CZ 4.37Å; V283-F344 HydrophobicContact CG1-CE2 4.22Å; V283-F344 HydrophobicContact CG1-CZ 3.84Å; V283-F344 HydrophobicContact CG2-CE2 4.46Å; F344-N372 HydrophobicContact CD1-CB 4.02Å; F344-N372 HydrophobicContact CE1-CB 4.23Å; F344-M380 HydrophobicContact CB-CE 3.99Å; F344-M380 HydrophobicContact CD1-CE 3.34Å; F344-M380 HydrophobicContact CD2-CE 3.44Å; F344-M380 VanDerWaalsContact CD2-CE 3.44Å; F344-M380 HydrophobicContact CE1-CE 3.49Å; F344-M380 VanDerWaalsContact CE1-CE 3.49Å; F344-M380 HydrophobicContact CE2-CE 3.58Å; F344-M380 HydrophobicContact CG-CE 3.31Å; F344-M380 HydrophobicContact CZ-CE 3.61Å; F344-L384 HydrophobicContact CE1-CD1 4.34Å; F344-L384 HydrophobicContact CE1-CD2 4.41Å; F344-L384 HydrophobicContact CZ-CD2 4.05Å
345	T	96.4	Very high	92.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.7	179.4	-178.9	0	0	0	0	111.6	D263 M322 V347 F349 N372 E373 Y374	D263-T345 WeakPolarHBondContact OD2-CA 3.34Å; D263-T345 VanDerWaalsContact OD2-CB 3.27Å; D263-T345 WeakPolarHBondContact OD2-CB 3.44Å; D263-T345 PolarHBondContact OD2-OG1 3.27Å; M322-T345 HydrophobicContact CE-CG2 4.18Å; M322-T345 HydrophobicContact SD-CG2 4.02Å; T345-V347 HydrophobicContact CG2-CB 4.39Å; T345-V347 PolarHBondContact O-N 3.34Å; T345-V347 PolarHBondContact OG1-N 3.1Å; T345-F349 HydrophobicContact CG2-CE1 3.9Å; T345-F349 HydrophobicContact CG2-CZ 3.82Å; T345-N372 WeakPolarHBondContact CG2-O 3.37Å; T345-N372 PolarHBondContact N-O 3.26Å; T345-E373 CarbonylContact O-C 3.56Å; T345-Y374 VanDerWaalsContact O-CB 3.32Å; T345-Y374 WeakPolarHBondContact O-CB 3.4Å; T345-Y374 PolarHBondContact O-N 3.26Å
346	N	94.3	Very high	92.6	Very high	50 Å²	50	42.9 Å²	42.9	27%	0.267	20%	0.202	S	C	.	.	S	Bend	trans	-86	15.4	173.6	-172.9	44.4	0	0	0	112.9	N265 M266 R269	N265-N346 HydrophobicContact CB-CB 3.98Å; M266-N346 HydrophobicContact CG-CB 4.15Å; M266-N346 HydrophobicContact SD-CB 3.83Å; R269-N346 WeakPolarHBondContact CD-OD1 3.36Å; R269-N346 PolarHBondContact NH1-OD1 3.39Å
347	V	92.3	Very high	92.9	Very high	28 Å²	28	40.2 Å²	40.2	17%	0.17	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-88.9	136.8	173	173.5	0	0	0	0	110.1	I315 V317 T345 E373	I315-V347 HydrophobicContact CG2-CB 4.27Å; I315-V347 HydrophobicContact CG2-CG2 3.43Å; I315-V347 VanDerWaalsContact CG2-CG2 3.43Å; V317-V347 HydrophobicContact CB-CG1 4.47Å; V317-V347 HydrophobicContact CG1-CG1 3.86Å; T345-V347 HydrophobicContact CG2-CB 4.39Å; T345-V347 PolarHBondContact O-N 3.34Å; T345-V347 PolarHBondContact OG1-N 3.1Å; V347-E373 VanDerWaalsContact O-CB 3.27Å; V347-E373 WeakPolarHBondContact O-CB 3.28Å
348	T	91.2	Very high	93.1	Very high	102 Å²	102	35.5 Å²	35.5	63%	0.626	17%	0.166	S	C	*	.	P	Polyproline II helix	trans	-83.9	129.3	171.2	-53.6	0	0	0	0	110	E373	T348-E373 WeakPolarHBondContact CA-OE2 3.38Å
349	F	92.8	Very high	93.1	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.048	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-78.1	139.3	-178.2	-65	-32.7	0	0	0	112.2	V317 P319 M322 T345 Y351 V371 E373	V317-F349 CarbonylContact O-C 3.58Å; V317-F349 WeakPolarHBondContact O-CA 3.25Å; P319-F349 HydrophobicContact CB-CD1 4.02Å; P319-F349 HydrophobicContact CB-CD2 3.75Å; P319-F349 HydrophobicContact CB-CE1 4.08Å; P319-F349 HydrophobicContact CB-CE2 3.8Å; P319-F349 HydrophobicContact CB-CG 3.88Å; P319-F349 HydrophobicContact CB-CZ 3.97Å; P319-F349 HydrophobicContact CG-CB 4.23Å; P319-F349 HydrophobicContact CG-CD1 4.45Å; P319-F349 HydrophobicContact CG-CD2 4.13Å; P319-F349 HydrophobicContact CG-CG 4.03Å; M322-F349 HydrophobicContact CE-CE1 3.97Å; M322-F349 HydrophobicContact SD-CE1 4.19Å; M322-F349 HydrophobicContact SD-CZ 4.36Å; T345-F349 HydrophobicContact CG2-CE1 3.9Å; T345-F349 HydrophobicContact CG2-CZ 3.82Å; F349-Y351 PolarHBondContact O-N 3.17Å; F349-V371 HydrophobicContact CE2-CG2 4.29Å; F349-V371 HydrophobicContact CZ-CB 4.29Å; F349-V371 HydrophobicContact CZ-CG2 3.97Å; F349-E373 HydrophobicContact CD2-CB 3.77Å; F349-E373 HydrophobicContact CD2-CG 4.36Å; F349-E373 HydrophobicContact CE2-CB 3.81Å; F349-E373 HydrophobicContact CG-CB 4.19Å; F349-E373 HydrophobicContact CZ-CB 4.25Å; F349-E373 PolarHBondContact N-OE2 2.03Å
350	H	88.9	Confident	92.9	Very high	153 Å²	153	37.1 Å²	37.1	71%	0.708	18%	0.18	S	C	*	.	S	Bend	trans	-83.8	55.6	166.5	-72	-166.1	0	0	0	109.5	V317	V317-H350 HydrophobicContact CB-CB 4.39Å; V317-H350 HydrophobicContact CG2-CB 4.26Å; V317-H350 PolarHBondContact O-N 2.04Å
351	Y	82.5	Confident	92.6	Very high	82 Å²	82	37.1 Å²	37.1	32%	0.322	18%	0.18	S	C	.	.	S	Bend	trans	-143.4	159.6	-174.8	-168.1	-118.7	0	0	0	108.9	P319 F349 R353	P319-Y351 HydrophobicContact CG-CD1 3.83Å; P319-Y351 HydrophobicContact CG-CD2 4.37Å; P319-Y351 HydrophobicContact CG-CG 3.7Å; F349-Y351 PolarHBondContact O-N 3.17Å; Y351-R353 HydrophobicContact CD1-CB 3.82Å; Y351-R353 HydrophobicContact CD1-CG 4.5Å; Y351-R353 HydrophobicContact CE1-CB 3.83Å; Y351-R353 HydrophobicContact CE1-CG 4.17Å; Y351-R353 PolarHBondContact O-N 3.49Å; Y351-R353 PolarHBondContact OH-NH1 3.09Å
352	R	81.9	Confident	92.5	Very high	215 Å²	215	37.6 Å²	37.6	81%	0.811	18%	0.182	S	C	*	.	S	Bend	trans	-70.6	-14.8	-177.9	-72.7	-173.6	176.3	-179.7	-0.4	113.3
353	R	86.1	Confident	92.1	Very high	30 Å²	30	39.5 Å²	39.5	11%	0.113	20%	0.196	C	C	.	.	S	Bend	trans	-127.6	149.9	-171.2	-60.9	165.3	176	158	-5.3	110.6	Y351 S355 W396 D418 D654	Y351-R353 HydrophobicContact CD1-CB 3.82Å; Y351-R353 HydrophobicContact CD1-CG 4.5Å; Y351-R353 HydrophobicContact CE1-CB 3.83Å; Y351-R353 HydrophobicContact CE1-CG 4.17Å; Y351-R353 PolarHBondContact O-N 3.49Å; Y351-R353 PolarHBondContact OH-NH1 3.09Å; R353-S355 VanDerWaalsContact C-N 3.27Å; R353-S355 PolarHBondContact O-N 3.02Å; R353-W396 HydrophobicContact CB-CH2 4.47Å; R353-W396 VanDerWaalsContact CD-CZ2 3.41Å; R353-W396 HydrophobicContact CG-CH2 4.11Å; R353-W396 HydrophobicContact CG-CZ2 4.17Å; R353-W396 VanDerWaalsContact CZ-CE2 3.43Å; R353-W396 VanDerWaalsContact NE-CE2 3.3Å; R353-D418 IonicContact NE-OD1 3.74Å; R353-D654 IonicContact CZ-OD1 2.79Å; R353-D654 VanDerWaalsContact NH1-CB 3.34Å; R353-D654 IonicContact NH1-OD1 2.78Å; R353-D654 PolarHBondContact NH1-OD1 2.99Å; R353-D654 IonicContact NH1-OD2 3.39Å; R353-D654 IonicContact NH2-OD1 2.74Å; R353-D654 PolarHBondContact NH2-OD1 3.43Å; R353-D654 VanDerWaalsContact NH2-OD1 3.15Å
354	S	89.9	Confident	91.8	Very high	22 Å²	22	41.3 Å²	41.3	15%	0.154	21%	0.208	C	C	.	.	S	Bend	trans	-79.9	-4.3	-179.5	-62.3	0	0	0	0	114.3	E373 S383	S354-E373 VanDerWaalsContact CA-OE1 3.32Å; S354-E373 WeakPolarHBondContact CA-OE1 3.17Å; S354-E373 WeakPolarHBondContact CB-OE1 3.28Å; S354-E373 WeakPolarHBondContact O-CG 3.4Å; S354-E373 PolarHBondContact O-N 2.8Å; S354-E373 PolarHBondContact OG-OE1 3.11Å; S354-S383 PolarHBondContact O-OG 3.47Å; S354-S383 VanDerWaalsContact O-OG 3.07Å
355	S	92.1	Very high	91.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.3	175	57.1	0	0	0	0	112.8	R353 V371 N372 S383	R353-S355 VanDerWaalsContact C-N 3.27Å; R353-S355 PolarHBondContact O-N 3.02Å; S355-V371 WeakPolarHBondContact CA-O 3.45Å; S355-V371 WeakPolarHBondContact CB-O 3.3Å; S355-N372 WeakPolarHBondContact CB-OD1 3.43Å; S355-S383 VanDerWaalsContact CB-OG 3.32Å; S355-S383 WeakPolarHBondContact CB-OG 3.48Å; S355-S383 PolarHBondContact OG-O 2.83Å; S355-S383 VanDerWaalsContact OG-O 3.11Å
356	A	93.9	Very high	91.1	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	137.7	166.5	0	0	0	0	0	109.7	P319 L320 L323 G370 V371	P319-A356 HydrophobicContact CB-CB 3.92Å; P319-A356 HydrophobicContact CG-CB 4.5Å; L320-A356 HydrophobicContact CD2-CB 4.03Å; L323-A356 HydrophobicContact CD2-CB 4.47Å; A356-G370 CarbonylContact O-C 3.48Å; A356-G370 VanDerWaalsContact O-CA 3.3Å; A356-G370 WeakPolarHBondContact O-CA 3.35Å; A356-V371 HydrophobicContact CB-CG2 4.15Å; A356-V371 PolarHBondContact N-O 2.74Å; A356-V371 PolarHBondContact O-N 2.97Å
357	A	96.4	Very high	91.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.5	175.2	0	0	0	0	0	110.3	F359 V369 S387 Q390	A357-F359 PolarHBondContact O-N 2.88Å; A357-V369 WeakPolarHBondContact CA-O 3.35Å; A357-V369 WeakPolarHBondContact CB-O 3.39Å; A357-S387 VanDerWaalsContact CB-O 3.29Å; A357-S387 WeakPolarHBondContact CB-O 2.97Å; A357-Q390 HydrophobicContact CB-CB 4.23Å
358	Y	95.6	Very high	91.3	Very high	33 Å²	33	48.9 Å²	48.9	13%	0.129	25%	0.248	C	C	.	.			trans	-71.3	131.9	176	-67.4	-71.5	0	0	0	110.8	L323 K324 G360 G361 R367 V369 N391 D655	L323-Y358 HydrophobicContact CD1-CD2 4.34Å; L323-Y358 HydrophobicContact CD1-CE2 4.27Å; L323-Y358 HydrophobicContact CD2-CD1 4.2Å; L323-Y358 HydrophobicContact CD2-CD2 4.16Å; L323-Y358 HydrophobicContact CD2-CE1 4.11Å; L323-Y358 HydrophobicContact CD2-CE2 4.08Å; L323-Y358 HydrophobicContact CD2-CG 4.22Å; L323-Y358 HydrophobicContact CG-CD2 4.15Å; L323-Y358 HydrophobicContact CG-CE2 3.77Å; K324-Y358 WeakPolarHBondContact CG-OH 3.32Å; Y358-G360 PolarHBondContact O-N 2.77Å; Y358-G361 PolarHBondContact O-N 3.17Å; Y358-R367 WeakPolarHBondContact CB-O 3.43Å; Y358-R367 HydrophobicContact CD2-CB 4.36Å; Y358-R367 HydrophobicContact CG-CB 4.38Å; Y358-V369 HydrophobicContact CD2-CG2 3.51Å; Y358-V369 HydrophobicContact CE2-CG2 3.63Å; Y358-V369 PolarHBondContact N-O 2.99Å; Y358-N391 WeakPolarHBondContact O-CA 3.35Å; Y358-N391 PolarHBondContact O-ND2 3.46Å; Y358-D655 VanDerWaalsContact CA-OD2 3.31Å; Y358-D655 WeakPolarHBondContact CA-OD2 3.2Å; Y358-D655 HydrophobicContact CD1-CB 3.91Å; Y358-D655 WeakPolarHBondContact CD1-OD2 3.31Å
359	F	93.3	Very high	91.6	Very high	17 Å²	17	44 Å²	44	8%	0.075	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	134	-179.4	-171.5	-86.8	0	0	0	110.7	A357 G361 R367 Q390 G393 Q395 I625 L653 D655	A357-F359 PolarHBondContact O-N 2.88Å; F359-G361 PolarHBondContact O-N 3.04Å; F359-G361 VanDerWaalsContact O-N 3.15Å; F359-R367 PolarHBondContact O-NH2 2.79Å; F359-R367 VanDerWaalsContact O-NH2 3.12Å; F359-Q390 CarbonylContact C-O 3.58Å; F359-Q390 WeakPolarHBondContact CA-O 3.31Å; F359-G393 WeakPolarHBondContact CZ-O 3.34Å; F359-Q395 HydrophobicContact CE2-CB 4.48Å; F359-Q395 HydrophobicContact CE2-CG 3.61Å; F359-Q395 HydrophobicContact CZ-CG 3.8Å; F359-I625 HydrophobicContact CE1-CD1 3.82Å; F359-I625 HydrophobicContact CE2-CD1 4.4Å; F359-I625 HydrophobicContact CZ-CD1 3.67Å; F359-L653 HydrophobicContact CB-CD1 3.7Å; F359-L653 HydrophobicContact CD1-CD1 3.8Å; F359-L653 HydrophobicContact CG-CD1 3.84Å; F359-D655 PolarHBondContact N-OD2 3.04Å
360	G	92.1	Very high	91.8	Very high	30 Å²	30	43.5 Å²	43.5	31%	0.309	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	23.4	179.9	0	0	0	0	0	113.6	Y358 M362 Q390 N391	Y358-G360 PolarHBondContact O-N 2.77Å; G360-M362 VanDerWaalsContact C-N 3.35Å; G360-Q390 PolarHBondContact N-O 2.75Å; G360-N391 CarbonylContact C-O 3.47Å; G360-N391 WeakPolarHBondContact CA-O 3.49Å
361	G	92	Very high	92.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-81.4	-5.7	-174.7	0	0	0	0	0	115.4	Y358 F359 S364 R367 G368 N391	Y358-G361 PolarHBondContact O-N 3.17Å; F359-G361 PolarHBondContact O-N 3.04Å; F359-G361 VanDerWaalsContact O-N 3.15Å; G361-S364 VanDerWaalsContact O-CB 3.24Å; G361-S364 WeakPolarHBondContact O-CB 3.02Å; G361-S364 PolarHBondContact O-N 3.13Å; G361-S364 VanDerWaalsContact O-N 3.1Å; G361-R367 CarbonylContact O-C 3.56Å; G361-G368 WeakPolarHBondContact O-CA 3.39Å; G361-G368 PolarHBondContact O-N 2.71Å; G361-N391 PolarHBondContact N-O 3.08Å; G361-N391 VanDerWaalsContact N-O 3.1Å
362	M	95	Very high	92.9	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.049	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	145	-177.6	-165.2	58.8	69.9	0	0	111.9	L256 D339 G360 S364 L388 N391 L392 F438 L447	L256-M362 HydrophobicContact CD1-CE 3.6Å; L256-M362 HydrophobicContact CD1-SD 4.49Å; L256-M362 HydrophobicContact CD2-CE 4.2Å; L256-M362 HydrophobicContact CD2-SD 4.48Å; L256-M362 HydrophobicContact CG-CE 3.93Å; L256-M362 HydrophobicContact CG-SD 4.22Å; D339-M362 HydrophobicContact CB-SD 3.85Å; G360-M362 VanDerWaalsContact C-N 3.35Å; M362-S364 PolarHBondContact O-N 3.27Å; M362-S364 VanDerWaalsContact O-N 3.07Å; M362-L388 HydrophobicContact CE-CD2 4.3Å; M362-N391 HydrophobicContact CB-CB 4.47Å; M362-N391 WeakPolarHBondContact CB-O 3.43Å; M362-N391 HydrophobicContact CE-CB 3.77Å; M362-N391 PolarHBondContact N-O 3.13Å; M362-L392 HydrophobicContact CB-CD2 4.2Å; M362-L392 HydrophobicContact CE-CD2 3.64Å; M362-L392 HydrophobicContact CE-CG 3.78Å; M362-L392 HydrophobicContact CG-CD2 3.9Å; M362-F438 HydrophobicContact CB-CZ 4.07Å; M362-L447 HydrophobicContact CG-CD1 4.26Å; M362-L447 HydrophobicContact CG-CD2 3.97Å; M362-L447 HydrophobicContact CG-CG 4.35Å; M362-L447 HydrophobicContact SD-CD2 4.24Å
363	C	91.4	Very high	93.5	Very high	41 Å²	41	23.6 Å²	23.6	28%	0.277	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-10	-175.5	-44.4	0	0	0	0	116	D339 C446	D339-C363 PolarHBondContact O-N 2.76Å; C363-C446 WeakPolarHBondContact CA-SG 3.47Å; C363-C446 HydrophobicContact CB-CB 3.72Å; C363-C446 WeakPolarHBondContact CB-SG 3.33Å; C363-C446 WeakPolarHBondContact SG-CB 2.74Å; C363-C446 PolarHBondContact SG-N 3.26Å; C363-C446 CovalentContact SG-SG 2.03Å; C363-C446 PolarHBondContact SG-SG 2.83Å
364	S	91.1	Very high	93.7	Very high	37 Å²	37	25 Å²	25	26%	0.259	14%	0.141	S	C	.	.			trans	-88.6	131.6	177.7	176.4	0	0	0	0	110.9	R330 G361 M362 S366 R367 G368	R330-S364 PolarHBondContact NH1-O 3.47Å; R330-S364 PolarHBondContact NH2-O 2.95Å; G361-S364 VanDerWaalsContact O-CB 3.24Å; G361-S364 WeakPolarHBondContact O-CB 3.02Å; G361-S364 PolarHBondContact O-N 3.13Å; G361-S364 VanDerWaalsContact O-N 3.1Å; M362-S364 PolarHBondContact O-N 3.27Å; M362-S364 VanDerWaalsContact O-N 3.07Å; S364-S366 VanDerWaalsContact C-N 3.34Å; S364-S366 PolarHBondContact O-N 3.23Å; S364-S366 PolarHBondContact OG-N 2.99Å; S364-S366 PolarHBondContact OG-OG 3.44Å; S364-R367 PolarHBondContact O-N 3.46Å; S364-R367 PolarHBondContact OG-N 2.61Å; S364-R367 VanDerWaalsContact OG-N 3.16Å; S364-G368 WeakPolarHBondContact O-CA 3.28Å; S364-G368 PolarHBondContact O-N 3.29Å
365	V	90.9	Very high	93.5	Very high	88 Å²	88	24.6 Å²	24.6	53%	0.533	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-39	174.6	176.9	0	0	0	0	112.4	R330 A331	R330-V365 WeakPolarHBondContact CD-O 3.08Å; R330-V365 HydrophobicContact CG-CG1 4.41Å; R330-V365 PolarHBondContact NE-O 3.45Å; R330-V365 PolarHBondContact NH1-O 3.08Å; A331-V365 HydrophobicContact CB-CG1 4.33Å
366	S	90.3	Very high	93.1	Very high	57 Å²	57	27 Å²	27	40%	0.399	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-28.5	-178.6	55.9	0	0	0	0	112.9	S327 S364	S327-S366 WeakPolarHBondContact CB-O 3.34Å; S327-S366 PolarHBondContact OG-O 3.01Å; S364-S366 VanDerWaalsContact C-N 3.34Å; S364-S366 PolarHBondContact O-N 3.23Å; S364-S366 PolarHBondContact OG-N 2.99Å; S364-S366 PolarHBondContact OG-OG 3.44Å
367	R	93.5	Very high	92.6	Very high	92 Å²	92	26.9 Å²	26.9	35%	0.347	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-19.6	-173.9	-60.5	-177.5	63	143.6	3	115	Y358 F359 G361 S364 V369 N391 D655	Y358-R367 WeakPolarHBondContact CB-O 3.43Å; Y358-R367 HydrophobicContact CD2-CB 4.36Å; Y358-R367 HydrophobicContact CG-CB 4.38Å; F359-R367 PolarHBondContact O-NH2 2.79Å; F359-R367 VanDerWaalsContact O-NH2 3.12Å; G361-R367 CarbonylContact O-C 3.56Å; S364-R367 PolarHBondContact O-N 3.46Å; S364-R367 PolarHBondContact OG-N 2.61Å; S364-R367 VanDerWaalsContact OG-N 3.16Å; R367-V369 PolarHBondContact O-N 2.74Å; R367-N391 PolarHBondContact O-ND2 2.81Å; R367-D655 IonicContact NH2-OD2 2.83Å
368	G	96.4	Very high	91.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-74.6	53.7	176.4	0	0	0	0	0	111.5	R330 S340 V341 G361 S364	R330-G368 PolarHBondContact NH1-O 3.27Å; S340-G368 CarbonylContact C-O 3.6Å; S340-G368 VanDerWaalsContact CA-O 3.22Å; S340-G368 WeakPolarHBondContact CA-O 3.49Å; S340-G368 VanDerWaalsContact OG-C 3.28Å; S340-G368 PolarHBondContact OG-O 2.86Å; V341-G368 PolarHBondContact N-O 2.9Å; G361-G368 WeakPolarHBondContact O-CA 3.39Å; G361-G368 PolarHBondContact O-N 2.71Å; S364-G368 WeakPolarHBondContact O-CA 3.28Å; S364-G368 PolarHBondContact O-N 3.29Å
369	V	97.9	Very high	91.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.1	-177	-62.7	0	0	0	0	111	L323 F326 R330 V341 A357 Y358 R367 N391	L323-V369 HydrophobicContact CD1-CB 4.45Å; L323-V369 HydrophobicContact CD1-CG2 3.83Å; F326-V369 HydrophobicContact CD1-CB 4.17Å; F326-V369 HydrophobicContact CD1-CG1 4.47Å; F326-V369 HydrophobicContact CE1-CB 4.46Å; R330-V369 HydrophobicContact CB-CG1 4.12Å; R330-V369 HydrophobicContact CG-CG1 4.38Å; V341-V369 WeakPolarHBondContact O-CA 3.27Å; A357-V369 WeakPolarHBondContact CA-O 3.35Å; A357-V369 WeakPolarHBondContact CB-O 3.39Å; Y358-V369 HydrophobicContact CD2-CG2 3.51Å; Y358-V369 HydrophobicContact CE2-CG2 3.63Å; Y358-V369 PolarHBondContact N-O 2.99Å; R367-V369 PolarHBondContact O-N 2.74Å; V369-N391 PolarHBondContact O-ND2 3.36Å
370	G	97.6	Very high	91.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.5	172.9	0	0	0	0	0	112.4	V341 H342 L343 A356	V341-G370 PolarHBondContact O-N 3.09Å; H342-G370 CarbonylContact C-O 3.54Å; H342-G370 VanDerWaalsContact CA-O 3.29Å; H342-G370 WeakPolarHBondContact CA-O 3.34Å; L343-G370 PolarHBondContact N-O 3.38Å; A356-G370 CarbonylContact O-C 3.48Å; A356-G370 VanDerWaalsContact O-CA 3.3Å; A356-G370 WeakPolarHBondContact O-CA 3.35Å
371	V	97.6	Very high	91.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136	174.3	-58.3	0	0	0	0	109.1	P319 M322 L323 F326 L343 F349 S355 A356	P319-V371 HydrophobicContact CB-CG2 3.99Å; M322-V371 HydrophobicContact CG-CG1 4.05Å; M322-V371 HydrophobicContact SD-CB 4.17Å; M322-V371 HydrophobicContact SD-CG1 4.16Å; L323-V371 HydrophobicContact CB-CG1 4.34Å; L323-V371 HydrophobicContact CB-CG2 4.34Å; L323-V371 HydrophobicContact CD1-CG1 4.2Å; F326-V371 HydrophobicContact CB-CG1 4.32Å; F326-V371 HydrophobicContact CD1-CG1 4.32Å; L343-V371 HydrophobicContact CB-CG1 4.12Å; L343-V371 HydrophobicContact CD2-CG1 4.25Å; F349-V371 HydrophobicContact CE2-CG2 4.29Å; F349-V371 HydrophobicContact CZ-CB 4.29Å; F349-V371 HydrophobicContact CZ-CG2 3.97Å; S355-V371 WeakPolarHBondContact CA-O 3.45Å; S355-V371 WeakPolarHBondContact CB-O 3.3Å; A356-V371 HydrophobicContact CB-CG2 4.15Å; A356-V371 PolarHBondContact N-O 2.74Å; A356-V371 PolarHBondContact O-N 2.97Å
372	N	96.5	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.9	-174.8	-51.3	-89.4	0	0	0	109.8	L343 F344 T345 S355 M380 S383 S387	L343-N372 PolarHBondContact O-N 3.07Å; L343-N372 PolarHBondContact O-ND2 3.48Å; F344-N372 HydrophobicContact CD1-CB 4.02Å; F344-N372 HydrophobicContact CE1-CB 4.23Å; T345-N372 WeakPolarHBondContact CG2-O 3.37Å; T345-N372 PolarHBondContact N-O 3.26Å; S355-N372 WeakPolarHBondContact CB-OD1 3.43Å; N372-M380 HydrophobicContact CB-CE 4.3Å; N372-S383 PolarHBondContact OD1-O 3.49Å; N372-S383 PolarHBondContact OD1-OG 2.98Å; N372-S387 PolarHBondContact OD1-OG 3.08Å
373	E	93.8	Very high	90.8	Very high	32 Å²	32	25.5 Å²	25.5	15%	0.15	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.4	172.3	78.5	-178.7	174	0	0	111.1	T345 V347 T348 F349 S354	T345-E373 CarbonylContact O-C 3.56Å; V347-E373 VanDerWaalsContact O-CB 3.27Å; V347-E373 WeakPolarHBondContact O-CB 3.28Å; T348-E373 WeakPolarHBondContact CA-OE2 3.38Å; F349-E373 HydrophobicContact CD2-CB 3.77Å; F349-E373 HydrophobicContact CD2-CG 4.36Å; F349-E373 HydrophobicContact CE2-CB 3.81Å; F349-E373 HydrophobicContact CG-CB 4.19Å; F349-E373 HydrophobicContact CZ-CB 4.25Å; F349-E373 PolarHBondContact N-OE2 2.03Å; S354-E373 VanDerWaalsContact CA-OE1 3.32Å; S354-E373 WeakPolarHBondContact CA-OE1 3.17Å; S354-E373 WeakPolarHBondContact CB-OE1 3.28Å; S354-E373 WeakPolarHBondContact O-CG 3.4Å; S354-E373 PolarHBondContact O-N 2.8Å; S354-E373 PolarHBondContact OG-OE1 3.11Å
374	Y	90.6	Very high	91.1	Very high	60 Å²	60	23.5 Å²	23.5	24%	0.235	13%	0.13	C	C	.	.			trans	-66.1	141.2	179.7	174.1	-89.6	0	0	0	113	M266 R269 F279 T345	M266-Y374 HydrophobicContact CE-CD2 3.77Å; M266-Y374 HydrophobicContact CE-CE2 4.34Å; M266-Y374 HydrophobicContact SD-CD2 3.46Å; M266-Y374 WeakPolarHBondContact SD-CD2 3.25Å; M266-Y374 HydrophobicContact SD-CE2 4.36Å; M266-Y374 HydrophobicContact SD-CG 4.06Å; R269-Y374 PolarHBondContact NE-OH 2.9Å; R269-Y374 PolarHBondContact NH2-OH 3.48Å; F279-Y374 HydrophobicContact CE1-CD2 4.45Å; F279-Y374 HydrophobicContact CE1-CE2 4.3Å; F279-Y374 HydrophobicContact CZ-CD2 4.37Å; F279-Y374 AromaticContact CZ-CE2 3.93Å; F279-Y374 HydrophobicContact CZ-CE2 3.93Å; T345-Y374 VanDerWaalsContact O-CB 3.32Å; T345-Y374 WeakPolarHBondContact O-CB 3.4Å; T345-Y374 PolarHBondContact O-N 3.26Å
375	G	86.5	Confident	91.3	Very high	13 Å²	13	21.8 Å²	21.8	13%	0.134	12%	0.118	C	C	.	.			trans	-154.3	-153	154	0	0	0	0	0	111.8	T379	G375-T379 WeakPolarHBondContact CA-OG1 3.32Å
376	T	82.7	Confident	91.4	Very high	51 Å²	51	17.6 Å²	17.6	31%	0.313	9%	0.092	S	C	.	.			trans	-61.9	164.4	172.7	64	0	0	0	0	110.6	W378 T379 M380	T376-W378 PolarHBondContact O-N 2.82Å; T376-W378 VanDerWaalsContact O-N 3.07Å; T376-T379 PolarHBondContact N-OG1 3.39Å; T376-T379 PolarHBondContact O-N 3.07Å; T376-T379 VanDerWaalsContact O-N 3.09Å; T376-T379 PolarHBondContact O-OG1 2.8Å; T376-T379 WeakPolarHBondContact OG1-CG2 3.2Å; T376-T379 PolarHBondContact OG1-N 3.1Å; T376-M380 WeakPolarHBondContact O-CB 3.37Å; T376-M380 WeakPolarHBondContact O-CG 3.45Å; T376-M380 PolarHBondContact O-N 2.9Å
377	T	83.4	Confident	91.7	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	7%	0.073	C	C	.	.	H	α-helix	trans	-54	-34.3	177.8	-38.4	0	0	0	0	111.3	H176 F279 V283 F286 A381	H176-T377 PolarHBondContact CE1-OG1 2.72Å; H176-T377 PolarHBondContact NE2-OG1 2.03Å; H176-T377 VanDerWaalsContact NE2-OG1 3.11Å; F279-T377 HydrophobicContact CE2-CG2 4.32Å; V283-T377 HydrophobicContact CG2-CG2 3.68Å; F286-T377 HydrophobicContact CD2-CG2 3.75Å; F286-T377 HydrophobicContact CE2-CG2 3.34Å; T377-A381 WeakPolarHBondContact O-CB 3.3Å; T377-A381 PolarHBondContact O-N 3.12Å
378	W	79.4	Confident	91.9	Very high	17 Å²	17	10.5 Å²	10.5	6%	0.064	6%	0.057	C	C	.	.	H	α-helix	trans	-66.7	-55.8	173.9	-169.4	-65.5	0	0	0	113.2	M178 V185 T376 M380 A381 S382 H423 R425	M178-W378 HydrophobicContact CB-CE3 4.25Å; M178-W378 HydrophobicContact CB-CZ3 3.94Å; M178-W378 HydrophobicContact CE-CD2 3.89Å; M178-W378 HydrophobicContact CE-CE3 3.24Å; M178-W378 HydrophobicContact CE-CH2 4.12Å; M178-W378 HydrophobicContact CE-CZ3 3.37Å; M178-W378 HydrophobicContact CG-CZ3 4.06Å; M178-W378 HydrophobicContact SD-CE3 3.68Å; M178-W378 HydrophobicContact SD-CH2 3.62Å; M178-W378 HydrophobicContact SD-CZ3 3.08Å; M178-W378 WeakPolarHBondContact SD-CZ3 3.37Å; V185-W378 HydrophobicContact CB-CH2 4.38Å; V185-W378 HydrophobicContact CG1-CE3 4.31Å; V185-W378 HydrophobicContact CG1-CH2 3.25Å; V185-W378 HydrophobicContact CG1-CZ2 4.42Å; V185-W378 HydrophobicContact CG1-CZ3 3.19Å; V185-W378 HydrophobicContact CG2-CH2 4.42Å; T376-W378 PolarHBondContact O-N 2.82Å; T376-W378 VanDerWaalsContact O-N 3.07Å; W378-M380 PolarHBondContact O-N 3.37Å; W378-A381 WeakPolarHBondContact O-CA 3.32Å; W378-A381 WeakPolarHBondContact O-CB 3.42Å; W378-A381 PolarHBondContact O-N 3.15Å; W378-S382 PolarHBondContact NE1-OG 3.11Å; W378-S382 PolarHBondContact O-N 2.83Å; W378-H423 AromaticContact CD1-CD2 3.27Å; W378-H423 AromaticContact CD1-CG 3.23Å; W378-H423 HydrophobicContact CD2-CB 4.48Å; W378-H423 HydrophobicContact CG-CB 4.23Å; W378-H423 AromaticContact CG-CD2 3.87Å; W378-H423 HydrophobicContact CZ2-CB 4.22Å; W378-H423 AromaticContact NE1-CD2 3.88Å; W378-H423 AromaticContact NE1-CG 3.53Å; W378-R425 HydrophobicContact CH2-CG 3.72Å; W378-R425 HydrophobicContact CZ2-CG 3.46Å; W378-R425 VanDerWaalsContact CZ2-CG 3.46Å
379	T	85	Confident	91.9	Very high	38 Å²	38	10.5 Å²	10.5	23%	0.233	6%	0.057	C	C	.	.	H	α-helix	trans	-60.4	-34.9	-176.3	59.5	0	0	0	0	110.4	G375 T376 S383 H423	G375-T379 WeakPolarHBondContact CA-OG1 3.32Å; T376-T379 PolarHBondContact N-OG1 3.39Å; T376-T379 PolarHBondContact O-N 3.07Å; T376-T379 VanDerWaalsContact O-N 3.09Å; T376-T379 PolarHBondContact O-OG1 2.8Å; T376-T379 WeakPolarHBondContact OG1-CG2 3.2Å; T376-T379 PolarHBondContact OG1-N 3.1Å; T379-S383 WeakPolarHBondContact O-CB 3.34Å; T379-S383 PolarHBondContact O-N 2.86Å; T379-H423 WeakPolarHBondContact CG2-CE1 2.89Å; T379-H423 WeakPolarHBondContact CG2-NE2 3.42Å
380	M	90.4	Very high	91.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.8	-40.6	173.1	-74.3	-64.1	-68.9	0	0	112.4	F279 V283 F344 N372 T376 W378 S383 L384	F279-M380 HydrophobicContact CE1-CE 4.43Å; F279-M380 HydrophobicContact CE1-CG 4.01Å; F279-M380 HydrophobicContact CZ-CB 4.34Å; F279-M380 HydrophobicContact CZ-CG 3.72Å; V283-M380 HydrophobicContact CB-CB 4.48Å; V283-M380 HydrophobicContact CG1-CB 3.91Å; V283-M380 HydrophobicContact CG2-CB 3.64Å; V283-M380 HydrophobicContact CG2-CG 4.47Å; F344-M380 HydrophobicContact CB-CE 3.99Å; F344-M380 HydrophobicContact CD1-CE 3.34Å; F344-M380 HydrophobicContact CD2-CE 3.44Å; F344-M380 VanDerWaalsContact CD2-CE 3.44Å; F344-M380 HydrophobicContact CE1-CE 3.49Å; F344-M380 VanDerWaalsContact CE1-CE 3.49Å; F344-M380 HydrophobicContact CE2-CE 3.58Å; F344-M380 HydrophobicContact CG-CE 3.31Å; F344-M380 HydrophobicContact CZ-CE 3.61Å; N372-M380 HydrophobicContact CB-CE 4.3Å; T376-M380 WeakPolarHBondContact O-CB 3.37Å; T376-M380 WeakPolarHBondContact O-CG 3.45Å; T376-M380 PolarHBondContact O-N 2.9Å; W378-M380 PolarHBondContact O-N 3.37Å; M380-S383 PolarHBondContact O-N 3.32Å; M380-L384 VanDerWaalsContact O-CB 3.23Å; M380-L384 WeakPolarHBondContact O-CB 3.34Å; M380-L384 PolarHBondContact O-N 3.32Å
381	A	90.8	Very high	91.7	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-43.5	175.4	0	0	0	0	0	111.6	V283 F286 V287 T377 W378 S385	V283-A381 HydrophobicContact CG1-CB 4.41Å; F286-A381 HydrophobicContact CB-CB 3.74Å; F286-A381 HydrophobicContact CD2-CB 4.21Å; F286-A381 HydrophobicContact CG-CB 4.44Å; V287-A381 HydrophobicContact CG2-CB 4.12Å; V287-A381 WeakPolarHBondContact CG2-O 3.03Å; T377-A381 WeakPolarHBondContact O-CB 3.3Å; T377-A381 PolarHBondContact O-N 3.12Å; W378-A381 WeakPolarHBondContact O-CA 3.32Å; W378-A381 WeakPolarHBondContact O-CB 3.42Å; W378-A381 PolarHBondContact O-N 3.15Å; A381-S385 VanDerWaalsContact O-CB 3.26Å; A381-S385 WeakPolarHBondContact O-CB 2.88Å; A381-S385 PolarHBondContact O-N 3.33Å; A381-S385 PolarHBondContact O-OG 3.48Å
382	S	88.9	Confident	91.7	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.028	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-45.4	173.6	-62.1	0	0	0	0	111.9	W378 S385 Q386	W378-S382 PolarHBondContact NE1-OG 3.11Å; W378-S382 PolarHBondContact O-N 2.83Å; S382-S385 WeakPolarHBondContact O-CB 3.43Å; S382-S385 PolarHBondContact O-N 2.76Å; S382-Q386 VanDerWaalsContact O-CG 3.29Å; S382-Q386 WeakPolarHBondContact O-CG 3.35Å; S382-Q386 PolarHBondContact O-N 3.41Å
383	S	92.6	Very high	91.5	Very high	1 Å²	1	11 Å²	11	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-42.5	179.4	-175.2	0	0	0	0	112.6	S354 S355 N372 T379 M380 Q386 S387	S354-S383 PolarHBondContact O-OG 3.47Å; S354-S383 VanDerWaalsContact O-OG 3.07Å; S355-S383 VanDerWaalsContact CB-OG 3.32Å; S355-S383 WeakPolarHBondContact CB-OG 3.48Å; S355-S383 PolarHBondContact OG-O 2.83Å; S355-S383 VanDerWaalsContact OG-O 3.11Å; N372-S383 PolarHBondContact OD1-O 3.49Å; N372-S383 PolarHBondContact OD1-OG 2.98Å; T379-S383 WeakPolarHBondContact O-CB 3.34Å; T379-S383 PolarHBondContact O-N 2.86Å; M380-S383 PolarHBondContact O-N 3.32Å; S383-Q386 PolarHBondContact O-N 2.72Å; S383-S387 PolarHBondContact O-N 2.74Å; S383-S387 PolarHBondContact O-OG 3.24Å
384	L	96.3	Very high	91.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.7	-40.8	174.2	179.7	60.5	0	0	0	111.4	I258 I260 V283 V284 V287 H342 F344 M380 Q386 S387 L388	I258-L384 HydrophobicContact CD1-CD2 4.43Å; I260-L384 HydrophobicContact CD1-CD1 4.44Å; I260-L384 HydrophobicContact CD1-CD2 4.27Å; V283-L384 HydrophobicContact CG1-CB 4.42Å; V283-L384 HydrophobicContact CG1-CD2 4.03Å; V284-L384 HydrophobicContact CG2-CD2 4.13Å; V287-L384 HydrophobicContact CB-CD2 4.49Å; V287-L384 HydrophobicContact CG2-CB 4.05Å; V287-L384 HydrophobicContact CG2-CD2 3.86Å; V287-L384 HydrophobicContact CG2-CG 4.04Å; H342-L384 HydrophobicContact CB-CD1 3.91Å; F344-L384 HydrophobicContact CE1-CD1 4.34Å; F344-L384 HydrophobicContact CE1-CD2 4.41Å; F344-L384 HydrophobicContact CZ-CD2 4.05Å; M380-L384 VanDerWaalsContact O-CB 3.23Å; M380-L384 WeakPolarHBondContact O-CB 3.34Å; M380-L384 PolarHBondContact O-N 3.32Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 3.5Å; L384-S387 WeakPolarHBondContact CA-OG 3.4Å; L384-S387 PolarHBondContact O-N 3.43Å; L384-S387 PolarHBondContact O-OG 2.64Å; L384-S387 VanDerWaalsContact O-OG 3.05Å; L384-L388 HydrophobicContact CD1-CD1 3.96Å; L384-L388 HydrophobicContact CD1-CG 4.04Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 HydrophobicContact CG-CD1 3.86Å; L384-L388 HydrophobicContact CG-CG 4.4Å; L384-L388 WeakPolarHBondContact O-CB 3.11Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.35Å
385	S	95.6	Very high	91.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.3	-43.8	175	-61.7	0	0	0	0	111.3	A381 S382 A389	A381-S385 VanDerWaalsContact O-CB 3.26Å; A381-S385 WeakPolarHBondContact O-CB 2.88Å; A381-S385 PolarHBondContact O-N 3.33Å; A381-S385 PolarHBondContact O-OG 3.48Å; S382-S385 WeakPolarHBondContact O-CB 3.43Å; S382-S385 PolarHBondContact O-N 2.76Å; S385-A389 WeakPolarHBondContact O-CB 3.4Å; S385-A389 PolarHBondContact O-N 3.37Å
386	Q	94.3	Very high	91.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.9	-73.8	167.1	-14.3	0	0	112.2	S382 S383 L384 A389 Q390 W396 I415 M416 E417 T419	S382-Q386 VanDerWaalsContact O-CG 3.29Å; S382-Q386 WeakPolarHBondContact O-CG 3.35Å; S382-Q386 PolarHBondContact O-N 3.41Å; S383-Q386 PolarHBondContact O-N 2.72Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 3.5Å; Q386-A389 PolarHBondContact O-N 2.84Å; Q386-Q390 WeakPolarHBondContact O-CG 3.1Å; Q386-Q390 PolarHBondContact O-N 2.6Å; Q386-W396 HydrophobicContact CB-CH2 3.95Å; Q386-W396 HydrophobicContact CB-CZ2 4.34Å; Q386-W396 HydrophobicContact CG-CH2 3.79Å; Q386-W396 HydrophobicContact CG-CZ3 4.16Å; Q386-I415 HydrophobicContact CG-CG2 3.85Å; Q386-I415 WeakPolarHBondContact CG-O 2.99Å; Q386-I415 PolarHBondContact NE2-O 3.19Å; Q386-M416 HydrophobicContact CB-SD 4.45Å; Q386-M416 HydrophobicContact CG-SD 4.29Å; Q386-E417 PolarHBondContact NE2-O 3.2Å; Q386-T419 VanDerWaalsContact OE1-CG2 3.3Å
387	S	95.8	Very high	91.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.8	-40.1	-179.5	54.5	0	0	0	0	112.5	H342 A357 N372 S383 L384 Q390 N391	H342-S387 PolarHBondContact CE1-OG 3.35Å; H342-S387 PolarHBondContact ND1-OG 2.89Å; H342-S387 VanDerWaalsContact ND1-OG 3.1Å; A357-S387 VanDerWaalsContact CB-O 3.29Å; A357-S387 WeakPolarHBondContact CB-O 2.97Å; N372-S387 PolarHBondContact OD1-OG 3.08Å; S383-S387 PolarHBondContact O-N 2.74Å; S383-S387 PolarHBondContact O-OG 3.24Å; L384-S387 WeakPolarHBondContact CA-OG 3.4Å; L384-S387 PolarHBondContact O-N 3.43Å; L384-S387 PolarHBondContact O-OG 2.64Å; L384-S387 VanDerWaalsContact O-OG 3.05Å; S387-Q390 PolarHBondContact O-N 3.05Å; S387-N391 PolarHBondContact O-N 3.23Å; S387-N391 VanDerWaalsContact O-N 3.1Å; S387-N391 PolarHBondContact O-OD1 2.85Å
388	L	97.9	Very high	90.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.2	-42.6	173.3	-75	169.1	0	0	0	111.9	L256 I258 V287 F291 H342 M362 L384 Q390 N391 L392	L256-L388 HydrophobicContact CD1-CD2 4.29Å; L256-L388 HydrophobicContact CD2-CD2 3.8Å; I258-L388 HydrophobicContact CG2-CD2 3.76Å; V287-L388 HydrophobicContact CG1-CD1 3.81Å; F291-L388 HydrophobicContact CE1-CB 4.06Å; F291-L388 HydrophobicContact CZ-CB 3.72Å; F291-L388 HydrophobicContact CZ-CD1 4.33Å; H342-L388 WeakPolarHBondContact NE2-CD2 3.31Å; M362-L388 HydrophobicContact CE-CD2 4.3Å; L384-L388 HydrophobicContact CD1-CD1 3.96Å; L384-L388 HydrophobicContact CD1-CG 4.04Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 HydrophobicContact CG-CD1 3.86Å; L384-L388 HydrophobicContact CG-CG 4.4Å; L384-L388 WeakPolarHBondContact O-CB 3.11Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.35Å; L388-Q390 VanDerWaalsContact C-N 3.31Å; L388-Q390 PolarHBondContact O-N 3.47Å; L388-N391 WeakPolarHBondContact O-CB 3Å; L388-N391 PolarHBondContact O-N 2.89Å; L388-N391 VanDerWaalsContact O-N 3.09Å; L388-L392 WeakPolarHBondContact O-CG 3.11Å; L388-L392 PolarHBondContact O-N 3.24Å
389	A	96.4	Very high	90.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.7	-42	175.2	0	0	0	0	0	111.7	S385 Q386 N391 L392 G393 I394 M416 F427	S385-A389 WeakPolarHBondContact O-CB 3.4Å; S385-A389 PolarHBondContact O-N 3.37Å; Q386-A389 PolarHBondContact O-N 2.84Å; A389-N391 PolarHBondContact O-N 3.07Å; A389-L392 CarbonylContact O-C 3.46Å; A389-L392 WeakPolarHBondContact O-CA 3.2Å; A389-L392 WeakPolarHBondContact O-CB 3.25Å; A389-L392 PolarHBondContact O-N 3.39Å; A389-L392 VanDerWaalsContact O-N 3.1Å; A389-G393 PolarHBondContact O-N 3.29Å; A389-I394 HydrophobicContact CB-CB 4.02Å; A389-I394 HydrophobicContact CB-CD1 3.89Å; A389-I394 HydrophobicContact CB-CG1 4.33Å; A389-I394 VanDerWaalsContact O-CB 3.27Å; A389-I394 WeakPolarHBondContact O-CB 3.34Å; A389-I394 WeakPolarHBondContact O-CG1 3.44Å; A389-I394 PolarHBondContact O-N 3.4Å; A389-M416 HydrophobicContact CB-CE 4.22Å; A389-M416 HydrophobicContact CB-SD 3.47Å; A389-M416 WeakPolarHBondContact CB-SD 3.38Å; A389-F427 HydrophobicContact CB-CE1 3.69Å; A389-F427 HydrophobicContact CB-CZ 4.01Å
390	Q	95.3	Very high	89.8	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-43.9	172.2	-72.4	-170.2	-48.9	0	0	112.1	A357 F359 G360 Q386 S387 L388 L392 G393 M416	A357-Q390 HydrophobicContact CB-CB 4.23Å; F359-Q390 CarbonylContact C-O 3.58Å; F359-Q390 WeakPolarHBondContact CA-O 3.31Å; G360-Q390 PolarHBondContact N-O 2.75Å; Q386-Q390 WeakPolarHBondContact O-CG 3.1Å; Q386-Q390 PolarHBondContact O-N 2.6Å; S387-Q390 PolarHBondContact O-N 3.05Å; L388-Q390 VanDerWaalsContact C-N 3.31Å; L388-Q390 PolarHBondContact O-N 3.47Å; Q390-L392 PolarHBondContact O-N 2.89Å; Q390-G393 PolarHBondContact O-N 3.47Å; Q390-M416 HydrophobicContact CG-CE 4.13Å
391	N	97.1	Very high	88.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-31.4	174.5	-67.7	147.5	0	0	0	112.2	S340 H342 Y358 G360 G361 M362 R367 V369 S387 L388 A389 G393	S340-N391 PolarHBondContact OG-OD1 2.02Å; S340-N391 VanDerWaalsContact OG-OD1 3.06Å; H342-N391 PolarHBondContact CE1-OD1 2.02Å; H342-N391 PolarHBondContact NE2-OD1 3.19Å; Y358-N391 WeakPolarHBondContact O-CA 3.35Å; Y358-N391 PolarHBondContact O-ND2 3.46Å; G360-N391 CarbonylContact C-O 3.47Å; G360-N391 WeakPolarHBondContact CA-O 3.49Å; G361-N391 PolarHBondContact N-O 3.08Å; G361-N391 VanDerWaalsContact N-O 3.1Å; M362-N391 HydrophobicContact CB-CB 4.47Å; M362-N391 WeakPolarHBondContact CB-O 3.43Å; M362-N391 HydrophobicContact CE-CB 3.77Å; M362-N391 PolarHBondContact N-O 3.13Å; R367-N391 PolarHBondContact O-ND2 2.81Å; V369-N391 PolarHBondContact O-ND2 3.36Å; S387-N391 PolarHBondContact O-N 3.23Å; S387-N391 VanDerWaalsContact O-N 3.1Å; S387-N391 PolarHBondContact O-OD1 2.85Å; L388-N391 WeakPolarHBondContact O-CB 3Å; L388-N391 PolarHBondContact O-N 2.89Å; L388-N391 VanDerWaalsContact O-N 3.09Å; A389-N391 PolarHBondContact O-N 3.07Å; N391-G393 PolarHBondContact O-N 2.94Å
392	L	96.5	Very high	87.9	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	11.2	174.1	-66.8	174.7	0	0	0	114.2	L256 F291 M362 L388 A389 Q390 I394 Y435 F438 L447	L256-L392 HydrophobicContact CD1-CD1 4.02Å; L256-L392 HydrophobicContact CD1-CD2 4.35Å; L256-L392 HydrophobicContact CD1-CG 4.4Å; F291-L392 HydrophobicContact CD1-CD1 4.49Å; F291-L392 HydrophobicContact CE1-CD1 3.79Å; M362-L392 HydrophobicContact CB-CD2 4.2Å; M362-L392 HydrophobicContact CE-CD2 3.64Å; M362-L392 HydrophobicContact CE-CG 3.78Å; M362-L392 HydrophobicContact CG-CD2 3.9Å; L388-L392 WeakPolarHBondContact O-CG 3.11Å; L388-L392 PolarHBondContact O-N 3.24Å; A389-L392 CarbonylContact O-C 3.46Å; A389-L392 WeakPolarHBondContact O-CA 3.2Å; A389-L392 WeakPolarHBondContact O-CB 3.25Å; A389-L392 PolarHBondContact O-N 3.39Å; A389-L392 VanDerWaalsContact O-N 3.1Å; Q390-L392 PolarHBondContact O-N 2.89Å; L392-I394 VanDerWaalsContact C-N 3.33Å; L392-I394 HydrophobicContact CB-CG1 4.42Å; L392-I394 PolarHBondContact O-N 2.87Å; L392-Y435 HydrophobicContact CB-CD2 4.16Å; L392-Y435 HydrophobicContact CB-CE2 4.44Å; L392-Y435 HydrophobicContact CD1-CD2 4.42Å; L392-Y435 HydrophobicContact CD1-CE2 4.18Å; L392-Y435 HydrophobicContact CD2-CE2 4.15Å; L392-F438 HydrophobicContact CD2-CE1 4.22Å; L392-F438 VanDerWaalsContact O-CB 3.29Å; L392-F438 WeakPolarHBondContact O-CB 3.3Å; L392-F438 VanDerWaalsContact O-CD1 3.27Å; L392-F438 WeakPolarHBondContact O-CD1 3.32Å; L392-F438 WeakPolarHBondContact O-CG 3.15Å; L392-L447 HydrophobicContact CD2-CD1 3.66Å
393	G	92.9	Very high	87.2	Confident	7 Å²	7	32.8 Å²	32.8	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	17.7	175.9	0	0	0	0	0	114.8	F359 A389 Q390 N391	F359-G393 WeakPolarHBondContact CZ-O 3.34Å; A389-G393 PolarHBondContact O-N 3.29Å; Q390-G393 PolarHBondContact O-N 3.47Å; N391-G393 PolarHBondContact O-N 2.94Å
394	I	93.4	Very high	86.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-87	129	176.7	-52.4	-178.5	0	0	0	109.8	L295 A389 L392 M416 F427 D434	L295-I394 HydrophobicContact CD1-CD1 4.27Å; A389-I394 HydrophobicContact CB-CB 4.02Å; A389-I394 HydrophobicContact CB-CD1 3.89Å; A389-I394 HydrophobicContact CB-CG1 4.33Å; A389-I394 VanDerWaalsContact O-CB 3.27Å; A389-I394 WeakPolarHBondContact O-CB 3.34Å; A389-I394 WeakPolarHBondContact O-CG1 3.44Å; A389-I394 PolarHBondContact O-N 3.4Å; L392-I394 VanDerWaalsContact C-N 3.33Å; L392-I394 HydrophobicContact CB-CG1 4.42Å; L392-I394 PolarHBondContact O-N 2.87Å; I394-M416 HydrophobicContact CG2-CE 4.27Å; I394-M416 HydrophobicContact CG2-CG 3.73Å; I394-M416 HydrophobicContact CG2-SD 4.36Å; I394-M416 WeakPolarHBondContact O-CE 3.2Å; I394-F427 HydrophobicContact CD1-CD1 4.48Å; I394-F427 HydrophobicContact CD1-CE1 4.26Å; I394-D434 HydrophobicContact CG2-CB 4.39Å
395	Q	88.9	Confident	85.8	Confident	33 Å²	33	39.6 Å²	39.6	15%	0.154	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-87.3	163.9	179	-61.7	174.4	48.9	0	0	112.2	F359 M416 D434 I625	F359-Q395 HydrophobicContact CE2-CB 4.48Å; F359-Q395 HydrophobicContact CE2-CG 3.61Å; F359-Q395 HydrophobicContact CZ-CG 3.8Å; Q395-M416 WeakPolarHBondContact O-CB 3.48Å; Q395-M416 WeakPolarHBondContact O-CE 3.19Å; Q395-D434 WeakPolarHBondContact CB-OD2 2.87Å; Q395-D434 PolarHBondContact N-OD2 3.41Å; Q395-D434 VanDerWaalsContact N-OD2 3.1Å; Q395-I625 HydrophobicContact CG-CD1 4.04Å; Q395-I625 HydrophobicContact CG-CG1 4.13Å; Q395-I625 VanDerWaalsContact NE2-CD1 3.35Å
396	W	87.4	Confident	84.8	Confident	24 Å²	24	42 Å²	42	9%	0.091	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.2	134.9	166.8	-64.7	81.5	0	0	0	110.3	R353 Q386 P398 M416 E417 D654	R353-W396 HydrophobicContact CB-CH2 4.47Å; R353-W396 VanDerWaalsContact CD-CZ2 3.41Å; R353-W396 HydrophobicContact CG-CH2 4.11Å; R353-W396 HydrophobicContact CG-CZ2 4.17Å; R353-W396 VanDerWaalsContact CZ-CE2 3.43Å; R353-W396 VanDerWaalsContact NE-CE2 3.3Å; Q386-W396 HydrophobicContact CB-CH2 3.95Å; Q386-W396 HydrophobicContact CB-CZ2 4.34Å; Q386-W396 HydrophobicContact CG-CH2 3.79Å; Q386-W396 HydrophobicContact CG-CZ3 4.16Å; W396-P398 VanDerWaalsContact O-CD 3.28Å; W396-P398 WeakPolarHBondContact O-CD 3.4Å; W396-M416 CarbonylContact C-O 3.59Å; W396-M416 VanDerWaalsContact CA-O 3.27Å; W396-M416 WeakPolarHBondContact CA-O 2.96Å; W396-M416 HydrophobicContact CD2-CE 4.35Å; W396-M416 HydrophobicContact CG-CE 4.49Å; W396-E417 VanDerWaalsContact CZ3-O 3.31Å; W396-E417 WeakPolarHBondContact CZ3-O 3.28Å; W396-D654 PolarHBondContact NE1-OD2 3.27Å
397	D	81.4	Confident	83.7	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.064	24%	0.239	C	C	.	.			trans	-63.1	115.9	176.8	-73.3	-44.3	0	0	0	109.1	A399 M416 E417 S428	D397-A399 PolarHBondContact O-N 3.47Å; D397-M416 PolarHBondContact N-O 2.8Å; D397-E417 HydrophobicContact CB-CG 4.08Å; D397-S428 WeakPolarHBondContact OD1-CB 3.24Å; D397-S428 PolarHBondContact OD1-OG 2.91Å; D397-S428 WeakPolarHBondContact OD2-CB 3.38Å; D397-S428 PolarHBondContact OD2-OG 3.1Å; D397-S428 VanDerWaalsContact OD2-OG 3.1Å
398	P	73.6	Confident	81.8	Confident	64 Å²	64	44.7 Å²	44.7	42%	0.416	26%	0.259	S	S	.	.			trans	-67.4	130.3	-178.7	22.7	-27	0	0	0	109	W396 A400 K401 R402	W396-P398 VanDerWaalsContact O-CD 3.28Å; W396-P398 WeakPolarHBondContact O-CD 3.4Å; P398-A400 PolarHBondContact O-N 3.01Å; P398-K401 HydrophobicContact CG-CB 3.98Å; P398-K401 HydrophobicContact CG-CD 3.98Å; P398-K401 HydrophobicContact CG-CG 3.96Å; P398-K401 PolarHBondContact O-N 3.19Å; P398-R402 PolarHBondContact O-N 3.31Å
399	A	70.9	Confident	79.7	Confident	71 Å²	71	51.1 Å²	51.1	59%	0.587	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-52.3	-30.2	-177.4	0	0	0	0	0	113.4	D397 R402	D397-A399 PolarHBondContact O-N 3.47Å; A399-R402 WeakPolarHBondContact O-CG 3.1Å
400	A	68.6	Low	77.7	Confident	100 Å²	100	52.7 Å²	52.7	83%	0.826	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-70.1	-25.5	177.4	0	0	0	0	0	114.2	P398	P398-A400 PolarHBondContact O-N 3.01Å
401	K	70.3	Confident	75.6	Confident	107 Å²	107	60 Å²	60	47%	0.465	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-105.4	10.9	-178.3	-59	-169.4	172.3	-173.5	0	113.8	P398 K403 E404 C405	P398-K401 HydrophobicContact CG-CB 3.98Å; P398-K401 HydrophobicContact CG-CD 3.98Å; P398-K401 HydrophobicContact CG-CG 3.96Å; P398-K401 PolarHBondContact O-N 3.19Å; K401-K403 PolarHBondContact O-N 3.11Å; K401-E404 HydrophobicContact CB-CB 4.43Å; K401-E404 PolarHBondContact O-N 2.8Å; K401-C405 PolarHBondContact O-N 2.88Å; K401-C405 PolarHBondContact O-SG 3.01Å; K401-C405 VanDerWaalsContact O-SG 3.38Å
402	R	71.8	Confident	74	Confident	97 Å²	97	61.4 Å²	61.4	37%	0.366	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-39.6	-179.8	-75.9	-177.3	167.3	168	-0.1	113.8	P398 A399 G406 C407 A408 E417	P398-R402 PolarHBondContact O-N 3.31Å; A399-R402 WeakPolarHBondContact O-CG 3.1Å; R402-G406 PolarHBondContact O-N 2.94Å; R402-C407 WeakPolarHBondContact O-CA 3.27Å; R402-C407 PolarHBondContact O-N 3.26Å; R402-A408 HydrophobicContact CB-CB 4.35Å; R402-A408 PolarHBondContact O-N 3.08Å; R402-A408 VanDerWaalsContact O-N 3.09Å; R402-E417 WeakPolarHBondContact CD-OE1 3.42Å; R402-E417 VanDerWaalsContact CG-OE1 3.22Å; R402-E417 WeakPolarHBondContact CG-OE1 3.05Å; R402-E417 IonicContact CZ-OE1 3.47Å; R402-E417 IonicContact NE-OE1 2.74Å; R402-E417 PolarHBondContact NE-OE1 2.96Å; R402-E417 IonicContact NH2-OE1 3.54Å
403	K	74.2	Confident	73	Confident	168 Å²	168	61.9 Å²	61.9	73%	0.73	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-42.9	179.4	-167.2	179	-178.7	-176.9	0	112.5	K401 C405 G406 A408	K401-K403 PolarHBondContact O-N 3.11Å; K403-C405 VanDerWaalsContact C-N 3.34Å; K403-G406 PolarHBondContact O-N 3.36Å; K403-A408 VanDerWaalsContact CA-CB 3.44Å; K403-A408 HydrophobicContact CB-CB 3.75Å; K403-A408 HydrophobicContact CG-CB 4.08Å
404	E	79.5	Confident	72.6	Confident	144 Å²	144	62 Å²	62	67%	0.673	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-37	178.1	-63.8	171.5	-176.2	0	0	111.4	K401 G406	K401-E404 HydrophobicContact CB-CB 4.43Å; K401-E404 PolarHBondContact O-N 2.8Å; E404-G406 PolarHBondContact O-N 2.91Å
405	C	79.7	Confident	72.4	Confident	1 Å²	1	62 Å²	62	1%	0.007	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.6	177.5	-60.8	0	0	0	0	113.8	K401 K403 C407 S428 K429 C430	K401-C405 PolarHBondContact O-N 2.88Å; K401-C405 PolarHBondContact O-SG 3.01Å; K401-C405 VanDerWaalsContact O-SG 3.38Å; K403-C405 VanDerWaalsContact C-N 3.34Å; C405-C407 VanDerWaalsContact C-N 3.35Å; C405-S428 WeakPolarHBondContact O-CB 3.24Å; C405-K429 PolarHBondContact O-N 3.16Å; C405-C430 WeakPolarHBondContact CA-SG 3.29Å; C405-C430 HydrophobicContact CB-CB 3.76Å; C405-C430 WeakPolarHBondContact CB-SG 3.2Å; C405-C430 WeakPolarHBondContact SG-CB 3.46Å; C405-C430 CovalentContact SG-SG 2.04Å; C405-C430 PolarHBondContact SG-SG 2.92Å
406	G	74.8	Confident	72.4	Confident	51 Å²	51	60.4 Å²	60.4	53%	0.526	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	16.4	-179.9	0	0	0	0	0	115	R402 K403 E404	R402-G406 PolarHBondContact O-N 2.94Å; K403-G406 PolarHBondContact O-N 3.36Å; E404-G406 PolarHBondContact O-N 2.91Å
407	C	71.3	Confident	72.1	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.027	34%	0.337	C	S	.	.			trans	-97	-12.9	-179	-61.7	0	0	0	0	114	R402 C405 D409 S410 C414 S428	R402-C407 WeakPolarHBondContact O-CA 3.27Å; R402-C407 PolarHBondContact O-N 3.26Å; C405-C407 VanDerWaalsContact C-N 3.35Å; C407-D409 PolarHBondContact O-N 3.22Å; C407-S410 PolarHBondContact O-N 3.25Å; C407-C414 VanDerWaalsContact CA-SG 3.58Å; C407-C414 HydrophobicContact CB-CB 4.03Å; C407-C414 WeakPolarHBondContact CB-SG 3.39Å; C407-C414 WeakPolarHBondContact SG-CB 3.43Å; C407-C414 CovalentContact SG-SG 2.03Å; C407-C414 PolarHBondContact SG-SG 3.49Å; C407-S428 WeakPolarHBondContact SG-CB 3.09Å
408	A	55.2	Low	71.7	Confident	51 Å²	51	63.8 Å²	63.8	42%	0.421	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-23.2	-170.9	0	0	0	0	0	115.2	R402 K403 S410	R402-A408 HydrophobicContact CB-CB 4.35Å; R402-A408 PolarHBondContact O-N 3.08Å; R402-A408 VanDerWaalsContact O-N 3.09Å; K403-A408 VanDerWaalsContact CA-CB 3.44Å; K403-A408 HydrophobicContact CB-CB 3.75Å; K403-A408 HydrophobicContact CG-CB 4.08Å; A408-S410 VanDerWaalsContact C-N 3.27Å
409	D	54.3	Low	71.1	Confident	136 Å²	136	63 Å²	63	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.2	178	-68.2	-31.6	0	0	0	112.3	L212 C407	L212-D409 WeakPolarHBondContact CD2-O 3.13Å; C407-D409 PolarHBondContact O-N 3.22Å
410	S	54.4	Low	70.6	Confident	33 Å²	33	61.7 Å²	61.7	23%	0.231	35%	0.345	C	S	.	.			trans	-99.6	111.5	-176.7	-168.9	0	0	0	0	113	C407 A408 V412 G413	C407-S410 PolarHBondContact O-N 3.25Å; A408-S410 VanDerWaalsContact C-N 3.27Å; S410-V412 PolarHBondContact O-N 3Å; S410-V412 VanDerWaalsContact O-N 3.08Å; S410-V412 PolarHBondContact OG-N 3.44Å; S410-G413 PolarHBondContact O-N 3.03Å; S410-G413 PolarHBondContact OG-N 3.36Å
411	W	52.1	Low	69.9	Low	158 Å²	158	62.9 Å²	62.9	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13	170.9	-149.9	53.2	0	0	0	113	L212	L212-W411 HydrophobicContact CD1-CB 4Å
412	V	62.7	Low	69.4	Low	28 Å²	28	60 Å²	60	17%	0.17	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-20.9	-177.5	-168.9	0	0	0	0	112.4	L212 S410 Q422 H423	L212-V412 HydrophobicContact CD1-CG2 4.17Å; S410-V412 PolarHBondContact O-N 3Å; S410-V412 VanDerWaalsContact O-N 3.08Å; S410-V412 PolarHBondContact OG-N 3.44Å; V412-Q422 HydrophobicContact CG1-CB 4.44Å; V412-H423 VanDerWaalsContact CG1-O 3.23Å; V412-H423 WeakPolarHBondContact CG1-O 3.35Å
413	G	74.5	Confident	69.1	Low	11 Å²	11	58.1 Å²	58.1	11%	0.113	33%	0.325	C	S	.	.			trans	80.2	-175	-177.3	0	0	0	0	0	114.6	S410 E417 P424	S410-G413 PolarHBondContact O-N 3.03Å; S410-G413 PolarHBondContact OG-N 3.36Å; G413-E417 WeakPolarHBondContact CA-OE2 3.25Å; G413-P424 WeakPolarHBondContact O-CB 3.4Å
414	C	85.1	Confident	69	Low	8 Å²	8	50.6 Å²	50.6	5%	0.054	29%	0.293	C	S	.	.			trans	-113	155.7	175.2	-70	0	0	0	0	111.6	C407 M416 E417 P424 M426	C407-C414 VanDerWaalsContact CA-SG 3.58Å; C407-C414 HydrophobicContact CB-CB 4.03Å; C407-C414 WeakPolarHBondContact CB-SG 3.39Å; C407-C414 WeakPolarHBondContact SG-CB 3.43Å; C407-C414 CovalentContact SG-SG 2.03Å; C407-C414 PolarHBondContact SG-SG 3.49Å; C414-M416 PolarHBondContact O-N 3.46Å; C414-M416 VanDerWaalsContact O-N 3.14Å; C414-E417 HydrophobicContact CB-CG 4.12Å; C414-E417 PolarHBondContact N-OE2 2.9Å; C414-E417 VanDerWaalsContact N-OE2 3.1Å; C414-E417 WeakPolarHBondContact O-CB 3.5Å; C414-E417 PolarHBondContact O-N 2.93Å; C414-P424 VanDerWaalsContact C-CG 3.47Å; C414-P424 WeakPolarHBondContact O-CB 3.24Å; C414-P424 VanDerWaalsContact O-CG 3.27Å; C414-P424 WeakPolarHBondContact O-CG 3.06Å; C414-M426 WeakPolarHBondContact CA-O 3.24Å
415	I	88.8	Confident	68.8	Low	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.5	-174.4	-71.5	173.5	0	0	0	111.5	I290 Q386 E417 P424 R425 M426 F427	I290-I415 HydrophobicContact CG2-CD1 3.39Å; Q386-I415 HydrophobicContact CG-CG2 3.85Å; Q386-I415 WeakPolarHBondContact CG-O 2.99Å; Q386-I415 PolarHBondContact NE2-O 3.19Å; I415-E417 PolarHBondContact O-N 3.13Å; I415-P424 HydrophobicContact CG1-CB 4.29Å; I415-P424 HydrophobicContact CG1-CG 4.32Å; I415-R425 WeakPolarHBondContact CD1-O 3.07Å; I415-M426 PolarHBondContact N-O 3.15Å; I415-F427 HydrophobicContact CB-CD1 4.05Å; I415-F427 HydrophobicContact CB-CE1 3.91Å; I415-F427 HydrophobicContact CB-CZ 4.34Å; I415-F427 HydrophobicContact CD1-CD1 4.45Å; I415-F427 HydrophobicContact CD1-CD2 3.91Å; I415-F427 HydrophobicContact CD1-CE1 4.26Å; I415-F427 HydrophobicContact CD1-CE2 3.7Å; I415-F427 HydrophobicContact CD1-CG 4.3Å; I415-F427 HydrophobicContact CD1-CZ 3.89Å; I415-F427 HydrophobicContact CG2-CD1 4.28Å; I415-F427 HydrophobicContact CG2-CE1 3.63Å; I415-F427 HydrophobicContact CG2-CZ 3.91Å
416	M	89.2	Confident	68.8	Low	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	21.8	-177.4	-61.7	-55.3	-65.5	0	0	113.8	Q386 A389 Q390 I394 Q395 W396 D397 C414 F427 S431	Q386-M416 HydrophobicContact CB-SD 4.45Å; Q386-M416 HydrophobicContact CG-SD 4.29Å; A389-M416 HydrophobicContact CB-CE 4.22Å; A389-M416 HydrophobicContact CB-SD 3.47Å; A389-M416 WeakPolarHBondContact CB-SD 3.38Å; Q390-M416 HydrophobicContact CG-CE 4.13Å; I394-M416 HydrophobicContact CG2-CE 4.27Å; I394-M416 HydrophobicContact CG2-CG 3.73Å; I394-M416 HydrophobicContact CG2-SD 4.36Å; I394-M416 WeakPolarHBondContact O-CE 3.2Å; Q395-M416 WeakPolarHBondContact O-CB 3.48Å; Q395-M416 WeakPolarHBondContact O-CE 3.19Å; W396-M416 CarbonylContact C-O 3.59Å; W396-M416 VanDerWaalsContact CA-O 3.27Å; W396-M416 WeakPolarHBondContact CA-O 2.96Å; W396-M416 HydrophobicContact CD2-CE 4.35Å; W396-M416 HydrophobicContact CG-CE 4.49Å; D397-M416 PolarHBondContact N-O 2.8Å; C414-M416 PolarHBondContact O-N 3.46Å; C414-M416 VanDerWaalsContact O-N 3.14Å; M416-F427 HydrophobicContact CG-CD1 4.06Å; M416-F427 HydrophobicContact CG-CE1 4.01Å; M416-F427 HydrophobicContact SD-CE1 4.24Å; M416-S431 WeakPolarHBondContact CG-OG 3.35Å
417	E	82.1	Confident	69.4	Low	18 Å²	18	48.9 Å²	48.9	8%	0.084	27%	0.27	C	S	.	.	S	Bend	trans	-98.2	157.2	166.9	-62.4	-171.9	135.2	0	0	111.8	Q386 W396 D397 R402 G413 C414 I415 T419	Q386-E417 PolarHBondContact NE2-O 3.2Å; W396-E417 VanDerWaalsContact CZ3-O 3.31Å; W396-E417 WeakPolarHBondContact CZ3-O 3.28Å; D397-E417 HydrophobicContact CB-CG 4.08Å; R402-E417 WeakPolarHBondContact CD-OE1 3.42Å; R402-E417 VanDerWaalsContact CG-OE1 3.22Å; R402-E417 WeakPolarHBondContact CG-OE1 3.05Å; R402-E417 IonicContact CZ-OE1 3.47Å; R402-E417 IonicContact NE-OE1 2.74Å; R402-E417 PolarHBondContact NE-OE1 2.96Å; R402-E417 IonicContact NH2-OE1 3.54Å; G413-E417 WeakPolarHBondContact CA-OE2 3.25Å; C414-E417 HydrophobicContact CB-CG 4.12Å; C414-E417 PolarHBondContact N-OE2 2.9Å; C414-E417 VanDerWaalsContact N-OE2 3.1Å; C414-E417 WeakPolarHBondContact O-CB 3.5Å; C414-E417 PolarHBondContact O-N 2.93Å; I415-E417 PolarHBondContact O-N 3.13Å; E417-T419 PolarHBondContact O-N 2.78Å
418	D	71.8	Confident	70.2	Confident	90 Å²	90	48.8 Å²	48.8	48%	0.481	27%	0.27	S	S	.	.			trans	-49.4	130.1	175.8	-73	-27.9	0	0	0	111.3	R353 G420	R353-D418 IonicContact NE-OD1 3.74Å; D418-G420 PolarHBondContact O-N 3.38Å
419	T	62.4	Low	71.6	Confident	46 Å²	46	51.5 Å²	51.5	28%	0.282	27%	0.272	S	S	.	.			trans	-58.8	102.1	-178.6	41.9	0	0	0	0	110.9	Q386 E417	Q386-T419 VanDerWaalsContact OE1-CG2 3.3Å; E417-T419 PolarHBondContact O-N 2.78Å
420	G	60	Low	73.3	Confident	44 Å²	44	46.8 Å²	46.8	45%	0.454	25%	0.25	S	C	.	.			trans	-92	-168.7	176.5	0	0	0	0	0	113.4	D418 Q422	D418-G420 PolarHBondContact O-N 3.38Å; G420-Q422 PolarHBondContact O-N 2.76Å
421	V	54.7	Low	75	Confident	125 Å²	125	45.2 Å²	45.2	76%	0.758	24%	0.239	S	C	*	.	S	Bend	trans	-68.9	-23.3	172.5	-178.4	0	0	0	0	111.6
422	Q	59.1	Low	76.9	Confident	47 Å²	47	40.3 Å²	40.3	22%	0.22	22%	0.224	C	C	.	.	S	Bend	trans	-98.9	146	174.9	-59.4	-123.7	8.9	0	0	109.1	V412 G420	V412-Q422 HydrophobicContact CG1-CB 4.44Å; G420-Q422 PolarHBondContact O-N 2.76Å
423	H	65.6	Low	78.1	Confident	58 Å²	58	40.2 Å²	40.2	27%	0.269	22%	0.224	S	C	.	.			trans	-116.4	113.8	-172.4	-55.5	-55.3	0	0	0	111.5	W378 T379 V412	W378-H423 AromaticContact CD1-CD2 3.27Å; W378-H423 AromaticContact CD1-CG 3.23Å; W378-H423 HydrophobicContact CD2-CB 4.48Å; W378-H423 HydrophobicContact CG-CB 4.23Å; W378-H423 AromaticContact CG-CD2 3.87Å; W378-H423 HydrophobicContact CZ2-CB 4.22Å; W378-H423 AromaticContact NE1-CD2 3.88Å; W378-H423 AromaticContact NE1-CG 3.53Å; T379-H423 WeakPolarHBondContact CG2-CE1 2.89Å; T379-H423 WeakPolarHBondContact CG2-NE2 3.42Å; V412-H423 VanDerWaalsContact CG1-O 3.23Å; V412-H423 WeakPolarHBondContact CG1-O 3.35Å
424	P	72.5	Confident	78.9	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.058	23%	0.225	C	C	.	.			trans	-72.6	152.8	-176.2	31.9	-39	0	0	0	112.3	G413 C414 I415	G413-P424 WeakPolarHBondContact O-CB 3.4Å; C414-P424 VanDerWaalsContact C-CG 3.47Å; C414-P424 WeakPolarHBondContact O-CB 3.24Å; C414-P424 VanDerWaalsContact O-CG 3.27Å; C414-P424 WeakPolarHBondContact O-CG 3.06Å; I415-P424 HydrophobicContact CG1-CB 4.29Å; I415-P424 HydrophobicContact CG1-CG 4.32Å
425	R	73.6	Confident	79.3	Confident	44 Å²	44	40.8 Å²	40.8	17%	0.166	22%	0.224	C	C	.	.			trans	-120.8	-15.1	174.2	-68.4	-165.3	-87.2	165.6	18.1	114.2	D180 V185 T211 H294 W378 I415	D180-R425 VanDerWaalsContact CB-NH2 3.32Å; D180-R425 IonicContact OD1-NH2 2.81Å; D180-R425 IonicContact OD2-CZ 2.87Å; D180-R425 IonicContact OD2-NH1 3.65Å; D180-R425 PolarHBondContact OD2-NH1 2.89Å; D180-R425 IonicContact OD2-NH2 2.79Å; D180-R425 PolarHBondContact OD2-NH2 2.03Å; V185-R425 VanDerWaalsContact CG2-CZ 3.44Å; T211-R425 PolarHBondContact OG1-NH2 3.28Å; H294-R425 PolarHBondContact CD2-O 3.33Å; H294-R425 VanDerWaalsContact CD2-O 3.28Å; H294-R425 PolarHBondContact NE2-O 2.98Å; W378-R425 HydrophobicContact CH2-CG 3.72Å; W378-R425 HydrophobicContact CZ2-CG 3.46Å; W378-R425 VanDerWaalsContact CZ2-CG 3.46Å; I415-R425 WeakPolarHBondContact CD1-O 3.07Å
426	M	80.4	Confident	79.3	Confident	105 Å²	105	42.8 Å²	42.8	52%	0.517	23%	0.233	S	C	.	.			trans	-106.9	139.3	-174.2	-57	-177	79.7	0	0	110.5	C414 I415	C414-M426 WeakPolarHBondContact CA-O 3.24Å; I415-M426 PolarHBondContact N-O 3.15Å
427	F	87.3	Confident	79.3	Confident	11 Å²	11	43.3 Å²	43.3	5%	0.048	24%	0.235	C	C	.	.			trans	-76.2	144.5	162.6	-76.1	-74.1	0	0	0	109.9	I290 F291 H294 L295 A389 I394 I415 M416 I432	I290-F427 HydrophobicContact CG2-CE2 4.04Å; F291-F427 HydrophobicContact CD2-CE2 4.22Å; F291-F427 AromaticContact CE2-CE2 3.96Å; F291-F427 HydrophobicContact CE2-CE2 3.96Å; F291-F427 AromaticContact CE2-CZ 3.89Å; F291-F427 HydrophobicContact CE2-CZ 3.89Å; F291-F427 HydrophobicContact CZ-CE2 4.42Å; F291-F427 HydrophobicContact CZ-CZ 4.07Å; H294-F427 HydrophobicContact CB-CD2 3.9Å; L295-F427 HydrophobicContact CD1-CD2 4.01Å; L295-F427 HydrophobicContact CD1-CE2 3.64Å; L295-F427 HydrophobicContact CD1-CZ 4.04Å; L295-F427 HydrophobicContact CD2-CD2 4.16Å; L295-F427 HydrophobicContact CD2-CG 4.41Å; L295-F427 HydrophobicContact CG-CD2 3.92Å; L295-F427 HydrophobicContact CG-CE2 4.01Å; A389-F427 HydrophobicContact CB-CE1 3.69Å; A389-F427 HydrophobicContact CB-CZ 4.01Å; I394-F427 HydrophobicContact CD1-CD1 4.48Å; I394-F427 HydrophobicContact CD1-CE1 4.26Å; I415-F427 HydrophobicContact CB-CD1 4.05Å; I415-F427 HydrophobicContact CB-CE1 3.91Å; I415-F427 HydrophobicContact CB-CZ 4.34Å; I415-F427 HydrophobicContact CD1-CD1 4.45Å; I415-F427 HydrophobicContact CD1-CD2 3.91Å; I415-F427 HydrophobicContact CD1-CE1 4.26Å; I415-F427 HydrophobicContact CD1-CE2 3.7Å; I415-F427 HydrophobicContact CD1-CG 4.3Å; I415-F427 HydrophobicContact CD1-CZ 3.89Å; I415-F427 HydrophobicContact CG2-CD1 4.28Å; I415-F427 HydrophobicContact CG2-CE1 3.63Å; I415-F427 HydrophobicContact CG2-CZ 3.91Å; M416-F427 HydrophobicContact CG-CD1 4.06Å; M416-F427 HydrophobicContact CG-CE1 4.01Å; M416-F427 HydrophobicContact SD-CE1 4.24Å; F427-I432 HydrophobicContact CB-CG1 4.33Å
428	S	87.7	Confident	79.6	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.021	23%	0.234	C	C	.	.			trans	-72.3	164.6	175.9	77.3	0	0	0	0	111.4	D397 C405 C407 C430 S431 I432	D397-S428 WeakPolarHBondContact OD1-CB 3.24Å; D397-S428 PolarHBondContact OD1-OG 2.91Å; D397-S428 WeakPolarHBondContact OD2-CB 3.38Å; D397-S428 PolarHBondContact OD2-OG 3.1Å; D397-S428 VanDerWaalsContact OD2-OG 3.1Å; C405-S428 WeakPolarHBondContact O-CB 3.24Å; C407-S428 WeakPolarHBondContact SG-CB 3.09Å; S428-C430 PolarHBondContact O-N 3.46Å; S428-C430 PolarHBondContact OG-N 3.34Å; S428-S431 WeakPolarHBondContact O-CB 3.35Å; S428-S431 PolarHBondContact O-N 3.3Å; S428-S431 VanDerWaalsContact O-N 3.1Å; S428-S431 WeakPolarHBondContact OG-CB 3.24Å; S428-S431 PolarHBondContact OG-N 3.1Å; S428-S431 PolarHBondContact OG-OG 3.03Å; S428-I432 WeakPolarHBondContact O-CG1 3.34Å; S428-I432 PolarHBondContact O-N 3.1Å
429	K	86.5	Confident	80.5	Confident	107 Å²	107	39 Å²	39	47%	0.465	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-36.6	170.7	-66.6	-169.1	178.3	-163.9	0	111.4	E223 C405 I432 S433	E223-K429 IonicContact OE1-NZ 2.81Å; E223-K429 PolarHBondContact OE1-NZ 2.78Å; E223-K429 IonicContact OE2-NZ 2.7Å; E223-K429 PolarHBondContact OE2-NZ 2.85Å; C405-K429 PolarHBondContact O-N 3.16Å; K429-I432 PolarHBondContact O-N 2.79Å; K429-S433 PolarHBondContact O-N 3.27Å
430	C	88.4	Confident	81.6	Confident	38 Å²	38	37.8 Å²	37.8	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-41.5	175.4	-65.4	0	0	0	0	111.8	C405 S428 I432 S433 D434	C405-C430 WeakPolarHBondContact CA-SG 3.29Å; C405-C430 HydrophobicContact CB-CB 3.76Å; C405-C430 WeakPolarHBondContact CB-SG 3.2Å; C405-C430 WeakPolarHBondContact SG-CB 3.46Å; C405-C430 CovalentContact SG-SG 2.04Å; C405-C430 PolarHBondContact SG-SG 2.92Å; S428-C430 PolarHBondContact O-N 3.46Å; S428-C430 PolarHBondContact OG-N 3.34Å; C430-I432 PolarHBondContact O-N 3.43Å; C430-S433 WeakPolarHBondContact O-CB 3.45Å; C430-S433 PolarHBondContact O-N 3.4Å; C430-D434 PolarHBondContact O-N 3.1Å
431	S	91.5	Very high	82.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-44	177.4	-65.7	0	0	0	0	111.9	M416 S428 S433 D434 Y435	M416-S431 WeakPolarHBondContact CG-OG 3.35Å; S428-S431 WeakPolarHBondContact O-CB 3.35Å; S428-S431 PolarHBondContact O-N 3.3Å; S428-S431 VanDerWaalsContact O-N 3.1Å; S428-S431 WeakPolarHBondContact OG-CB 3.24Å; S428-S431 PolarHBondContact OG-N 3.1Å; S428-S431 PolarHBondContact OG-OG 3.03Å; S431-S433 VanDerWaalsContact C-N 3.32Å; S431-S433 PolarHBondContact O-N 3.09Å; S431-D434 PolarHBondContact O-N 3.49Å; S431-Y435 PolarHBondContact O-N 3.01Å
432	I	91	Very high	84	Confident	54 Å²	54	32 Å²	32	28%	0.277	16%	0.158	S	C	.	.	H	α-helix	trans	-64	-40.3	176.4	-63.1	167.1	0	0	0	110.3	L295 F427 S428 K429 C430 Y435 K436	L295-I432 HydrophobicContact CD2-CG1 4.4Å; F427-I432 HydrophobicContact CB-CG1 4.33Å; S428-I432 WeakPolarHBondContact O-CG1 3.34Å; S428-I432 PolarHBondContact O-N 3.1Å; K429-I432 PolarHBondContact O-N 2.79Å; C430-I432 PolarHBondContact O-N 3.43Å; I432-Y435 PolarHBondContact O-N 3.24Å; I432-K436 HydrophobicContact CG2-CD 4.44Å; I432-K436 WeakPolarHBondContact O-CG 3.2Å; I432-K436 PolarHBondContact O-N 3.18Å
433	S	88.8	Confident	85.4	Confident	27 Å²	27	30.2 Å²	30.2	19%	0.189	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-43.4	175.9	-174.9	0	0	0	0	112.6	K429 C430 S431 K436 E437	K429-S433 PolarHBondContact O-N 3.27Å; C430-S433 WeakPolarHBondContact O-CB 3.45Å; C430-S433 PolarHBondContact O-N 3.4Å; S431-S433 VanDerWaalsContact C-N 3.32Å; S431-S433 PolarHBondContact O-N 3.09Å; S433-K436 PolarHBondContact O-N 2.88Å; S433-E437 PolarHBondContact O-N 2.83Å
434	D	90.8	Very high	86.4	Confident	23 Å²	23	27.6 Å²	27.6	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-43.9	177.5	-78.5	-7.3	0	0	0	111.1	I394 Q395 C430 S431 K436 E437 F438	I394-D434 HydrophobicContact CG2-CB 4.39Å; Q395-D434 WeakPolarHBondContact CB-OD2 2.87Å; Q395-D434 PolarHBondContact N-OD2 3.41Å; Q395-D434 VanDerWaalsContact N-OD2 3.1Å; C430-D434 PolarHBondContact O-N 3.1Å; S431-D434 PolarHBondContact O-N 3.49Å; D434-K436 VanDerWaalsContact C-N 3.34Å; D434-K436 PolarHBondContact O-N 3.06Å; D434-E437 PolarHBondContact O-N 3.33Å; D434-F438 PolarHBondContact O-N 3.06Å
435	Y	93.3	Very high	87.1	Confident	7 Å²	7	28.1 Å²	28.1	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-44.2	174.7	177.9	-123.1	0	0	0	112.1	K254 L295 T297 L392 S431 I432 E437 F438 L439	K254-Y435 WeakPolarHBondContact CD-OH 3.41Å; L295-Y435 HydrophobicContact CB-CD1 4.5Å; L295-Y435 HydrophobicContact CB-CE1 4.25Å; L295-Y435 HydrophobicContact CD2-CD1 3.97Å; L295-Y435 HydrophobicContact CD2-CG 4.33Å; T297-Y435 PolarHBondContact OG1-OH 3.42Å; L392-Y435 HydrophobicContact CB-CD2 4.16Å; L392-Y435 HydrophobicContact CB-CE2 4.44Å; L392-Y435 HydrophobicContact CD1-CD2 4.42Å; L392-Y435 HydrophobicContact CD1-CE2 4.18Å; L392-Y435 HydrophobicContact CD2-CE2 4.15Å; S431-Y435 PolarHBondContact O-N 3.01Å; I432-Y435 PolarHBondContact O-N 3.24Å; Y435-E437 PolarHBondContact O-N 2.83Å; Y435-F438 WeakPolarHBondContact O-CB 3.07Å; Y435-F438 PolarHBondContact O-N 3.48Å; Y435-L439 HydrophobicContact CD1-CD1 4.46Å; Y435-L439 HydrophobicContact CE1-CD1 3.86Å; Y435-L439 HydrophobicContact CE2-CD1 4.13Å; Y435-L439 HydrophobicContact CE2-CD2 4.18Å; Y435-L439 HydrophobicContact CE2-CG 4.09Å; Y435-L439 PolarHBondContact O-N 2.93Å; Y435-L439 VanDerWaalsContact O-N 3.13Å
436	K	89.6	Confident	87.8	Confident	43 Å²	43	27 Å²	27	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.5	-72.9	-176.5	178.7	-177.6	0	111.8	F250 I432 S433 D434 L439 L440	F250-K436 HydrophobicContact CD1-CB 4.17Å; F250-K436 HydrophobicContact CD1-CD 4.33Å; F250-K436 HydrophobicContact CD1-CG 3.69Å; F250-K436 HydrophobicContact CD2-CD 4.46Å; F250-K436 VanDerWaalsContact CE1-CA 3.49Å; F250-K436 HydrophobicContact CE1-CB 3.5Å; F250-K436 VanDerWaalsContact CE1-CB 3.5Å; F250-K436 HydrophobicContact CE1-CD 4.32Å; F250-K436 HydrophobicContact CE1-CG 3.55Å; F250-K436 WeakPolarHBondContact CE1-O 3.23Å; F250-K436 HydrophobicContact CE2-CD 4.44Å; F250-K436 HydrophobicContact CG-CD 4.4Å; F250-K436 HydrophobicContact CG-CG 4.24Å; F250-K436 HydrophobicContact CZ-CB 3.7Å; F250-K436 HydrophobicContact CZ-CD 4.33Å; F250-K436 HydrophobicContact CZ-CG 3.96Å; I432-K436 HydrophobicContact CG2-CD 4.44Å; I432-K436 WeakPolarHBondContact O-CG 3.2Å; I432-K436 PolarHBondContact O-N 3.18Å; S433-K436 PolarHBondContact O-N 2.88Å; D434-K436 VanDerWaalsContact C-N 3.34Å; D434-K436 PolarHBondContact O-N 3.06Å; K436-L439 PolarHBondContact O-N 3.33Å; K436-L440 WeakPolarHBondContact O-CG 3.45Å; K436-L440 PolarHBondContact O-N 3.32Å; K436-L440 VanDerWaalsContact O-N 3.08Å
437	E	87.5	Confident	88.4	Confident	11 Å²	11	22 Å²	22	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-38.5	176.1	-176.2	178.8	175.8	0	0	112.3	S433 D434 Y435 L440 K441 R624	S433-E437 PolarHBondContact O-N 2.83Å; D434-E437 PolarHBondContact O-N 3.33Å; Y435-E437 PolarHBondContact O-N 2.83Å; E437-L440 PolarHBondContact O-N 3.22Å; E437-K441 HydrophobicContact CG-CD 4.3Å; E437-K441 WeakPolarHBondContact O-CG 3.38Å; E437-K441 PolarHBondContact O-N 2.81Å; E437-K441 WeakPolarHBondContact OE1-CE 3.31Å; E437-K441 IonicContact OE1-NZ 3.77Å; E437-K441 PolarHBondContact OE1-NZ 2.91Å; E437-R624 IonicContact OE1-CZ 2.71Å; E437-R624 IonicContact OE1-NH1 3.62Å; E437-R624 PolarHBondContact OE1-NH1 2.81Å; E437-R624 VanDerWaalsContact OE1-NH1 3.08Å; E437-R624 IonicContact OE1-NH2 3.71Å; E437-R624 IonicContact OE2-CZ 3.52Å; E437-R624 IonicContact OE2-NH1 2.71Å; E437-R624 PolarHBondContact OE2-NH1 2.97Å; E437-R624 IonicContact OE2-NH2 3.67Å; E437-R624 PolarHBondContact OE2-NH2 3.32Å
438	F	90.2	Very high	88.3	Confident	14 Å²	14	22.7 Å²	22.7	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-49	175.4	173	-102.8	0	0	0	111.7	M362 L392 D434 Y435 L440 K441 G443	M362-F438 HydrophobicContact CB-CZ 4.07Å; L392-F438 HydrophobicContact CD2-CE1 4.22Å; L392-F438 VanDerWaalsContact O-CB 3.29Å; L392-F438 WeakPolarHBondContact O-CB 3.3Å; L392-F438 VanDerWaalsContact O-CD1 3.27Å; L392-F438 WeakPolarHBondContact O-CD1 3.32Å; L392-F438 WeakPolarHBondContact O-CG 3.15Å; D434-F438 PolarHBondContact O-N 3.06Å; Y435-F438 WeakPolarHBondContact O-CB 3.07Å; Y435-F438 PolarHBondContact O-N 3.48Å; F438-L440 PolarHBondContact O-N 3.35Å; F438-K441 PolarHBondContact O-N 3.43Å; F438-G443 VanDerWaalsContact CE1-C 3.47Å; F438-G443 PolarHBondContact O-N 3.03Å
439	L	89.4	Confident	87.9	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.9	-64.5	178.1	0	0	0	112.2	F250 Y435 K436 K441 G442	F250-L439 HydrophobicContact CD1-CD1 4.07Å; F250-L439 HydrophobicContact CE1-CB 4.28Å; F250-L439 HydrophobicContact CE1-CD1 4.24Å; Y435-L439 HydrophobicContact CD1-CD1 4.46Å; Y435-L439 HydrophobicContact CE1-CD1 3.86Å; Y435-L439 HydrophobicContact CE2-CD1 4.13Å; Y435-L439 HydrophobicContact CE2-CD2 4.18Å; Y435-L439 HydrophobicContact CE2-CG 4.09Å; Y435-L439 PolarHBondContact O-N 2.93Å; Y435-L439 VanDerWaalsContact O-N 3.13Å; K436-L439 PolarHBondContact O-N 3.33Å; L439-K441 PolarHBondContact O-N 3.48Å; L439-G442 PolarHBondContact O-N 3.34Å
440	L	85.9	Confident	87.6	Confident	19 Å²	19	24.4 Å²	24.4	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-27	179.5	-72	173.2	0	0	0	113.4	L231 W236 V249 F250 K436 E437 F438 G442	L231-L440 HydrophobicContact CD1-CD1 4.22Å; W236-L440 HydrophobicContact CH2-CB 4.15Å; V249-L440 HydrophobicContact CG1-CD2 4.42Å; F250-L440 HydrophobicContact CE1-CG 4.27Å; F250-L440 HydrophobicContact CE2-CD1 4.44Å; F250-L440 HydrophobicContact CE2-CD2 4.39Å; F250-L440 HydrophobicContact CE2-CG 4.49Å; F250-L440 HydrophobicContact CZ-CD1 3.74Å; F250-L440 HydrophobicContact CZ-CD2 3.85Å; F250-L440 HydrophobicContact CZ-CG 3.58Å; K436-L440 WeakPolarHBondContact O-CG 3.45Å; K436-L440 PolarHBondContact O-N 3.32Å; K436-L440 VanDerWaalsContact O-N 3.08Å; E437-L440 PolarHBondContact O-N 3.22Å; F438-L440 PolarHBondContact O-N 3.35Å; L440-G442 PolarHBondContact O-N 3.48Å
441	K	83.9	Confident	86.8	Confident	36 Å²	36	23.2 Å²	23.2	16%	0.157	12%	0.122	C	C	.	.	H	α-helix	trans	-72.6	-13.1	173.7	-78.3	175.8	-176.5	158.9	0	113.2	E437 F438 L439 N519 E557	E437-K441 HydrophobicContact CG-CD 4.3Å; E437-K441 WeakPolarHBondContact O-CG 3.38Å; E437-K441 PolarHBondContact O-N 2.81Å; E437-K441 WeakPolarHBondContact OE1-CE 3.31Å; E437-K441 IonicContact OE1-NZ 3.77Å; E437-K441 PolarHBondContact OE1-NZ 2.91Å; F438-K441 PolarHBondContact O-N 3.43Å; L439-K441 PolarHBondContact O-N 3.48Å; K441-N519 VanDerWaalsContact C-ND2 3.29Å; K441-N519 PolarHBondContact O-ND2 2.86Å; K441-E557 HydrophobicContact CB-CG 4.44Å; K441-E557 WeakPolarHBondContact O-CA 3.23Å; K441-E557 WeakPolarHBondContact O-CG 3.3Å
442	G	81.6	Confident	85.6	Confident	11 Å²	11	28.7 Å²	28.7	11%	0.113	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	7.7	-175.4	0	0	0	0	0	113.6	L439 L440	L439-G442 PolarHBondContact O-N 3.34Å; L440-G442 PolarHBondContact O-N 3.48Å
443	G	87.4	Confident	84.3	Confident	10 Å²	10	27.1 Å²	27.1	10%	0.103	14%	0.143	C	C	.	.			trans	-71.9	152.8	174	0	0	0	0	0	112.3	F438	F438-G443 VanDerWaalsContact CE1-C 3.47Å; F438-G443 PolarHBondContact O-N 3.03Å
444	G	88.3	Confident	82.7	Confident	3 Å²	3	26.7 Å²	26.7	3%	0.031	14%	0.138	C	C	.	.			trans	78.3	25.7	173.1	0	0	0	0	0	115.2	C446 L447 F448	G444-C446 PolarHBondContact O-N 2.91Å; G444-L447 VanDerWaalsContact O-CB 3.3Å; G444-L447 WeakPolarHBondContact O-CB 3.44Å; G444-L447 WeakPolarHBondContact O-CG 3.22Å; G444-L447 PolarHBondContact O-N 2.72Å; G444-F448 WeakPolarHBondContact O-CD2 3.38Å; G444-F448 VanDerWaalsContact O-CE2 3.28Å; G444-F448 WeakPolarHBondContact O-CE2 3.45Å
445	S	86.6	Confident	81.1	Confident	20 Å²	20	27.2 Å²	27.2	14%	0.14	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34	178.2	51.2	0	0	0	0	113.8	L447	S445-L447 PolarHBondContact O-N 2.91Å
446	C	88.8	Confident	79	Confident	22 Å²	22	34.6 Å²	34.6	15%	0.149	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-71.7	-1.2	175.9	67.3	0	0	0	0	114.8	D339 C363 G444 N449	D339-C446 WeakPolarHBondContact OD1-CB 3.33Å; D339-C446 PolarHBondContact OD1-SG 3.09Å; C363-C446 WeakPolarHBondContact CA-SG 3.47Å; C363-C446 HydrophobicContact CB-CB 3.72Å; C363-C446 WeakPolarHBondContact CB-SG 3.33Å; C363-C446 WeakPolarHBondContact SG-CB 2.74Å; C363-C446 PolarHBondContact SG-N 3.26Å; C363-C446 CovalentContact SG-SG 2.03Å; C363-C446 PolarHBondContact SG-SG 2.83Å; G444-C446 PolarHBondContact O-N 2.91Å; C446-N449 PolarHBondContact O-OD1 3.28Å
447	L	91.6	Very high	77.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-93.3	3.6	-173.4	-55.9	176.8	0	0	0	113.8	K254 Y255 L256 D339 M362 L392 G444 S445	K254-L447 CarbonylContact C-O 3.51Å; K254-L447 VanDerWaalsContact CA-O 3.28Å; K254-L447 WeakPolarHBondContact CA-O 3.44Å; K254-L447 HydrophobicContact CB-CB 4.08Å; K254-L447 HydrophobicContact CG-CB 4.26Å; Y255-L447 PolarHBondContact N-O 2.83Å; Y255-L447 CarbonylContact O-C 3.57Å; Y255-L447 VanDerWaalsContact O-CA 3.24Å; Y255-L447 WeakPolarHBondContact O-CA 2.82Å; Y255-L447 WeakPolarHBondContact O-CD2 3.01Å; L256-L447 HydrophobicContact CB-CD2 4.03Å; L256-L447 HydrophobicContact CG-CD2 3.95Å; D339-L447 HydrophobicContact CB-CD2 4.44Å; M362-L447 HydrophobicContact CG-CD1 4.26Å; M362-L447 HydrophobicContact CG-CD2 3.97Å; M362-L447 HydrophobicContact CG-CG 4.35Å; M362-L447 HydrophobicContact SD-CD2 4.24Å; L392-L447 HydrophobicContact CD2-CD1 3.66Å; G444-L447 VanDerWaalsContact O-CB 3.3Å; G444-L447 WeakPolarHBondContact O-CB 3.44Å; G444-L447 WeakPolarHBondContact O-CG 3.22Å; G444-L447 PolarHBondContact O-N 2.72Å; S445-L447 PolarHBondContact O-N 2.91Å
448	F	85.6	Confident	75.6	Confident	24 Å²	24	38.6 Å²	38.6	11%	0.105	21%	0.205	C	C	.	.	S	Bend	trans	-106.7	-2.7	-171.1	-64.4	-92.3	0	0	0	113.1	V249 E252 K254 G444 N537	V249-F448 HydrophobicContact CG2-CE1 3.86Å; V249-F448 HydrophobicContact CG2-CZ 3.5Å; E252-F448 HydrophobicContact CG-CD1 4.3Å; E252-F448 VanDerWaalsContact OE2-CD1 3.32Å; E252-F448 WeakPolarHBondContact OE2-CD1 3.31Å; K254-F448 HydrophobicContact CG-CE1 4.4Å; K254-F448 HydrophobicContact CG-CZ 4.43Å; G444-F448 WeakPolarHBondContact O-CD2 3.38Å; G444-F448 VanDerWaalsContact O-CE2 3.28Å; G444-F448 WeakPolarHBondContact O-CE2 3.45Å; F448-N537 HydrophobicContact CB-CB 3.83Å; F448-N537 HydrophobicContact CD2-CB 3.89Å; F448-N537 WeakPolarHBondContact CD2-ND2 3.3Å; F448-N537 VanDerWaalsContact CE2-ND2 3.25Å; F448-N537 WeakPolarHBondContact CE2-ND2 3.48Å; F448-N537 HydrophobicContact CG-CB 3.96Å
449	N	79.9	Confident	74.4	Confident	59 Å²	59	40.7 Å²	40.7	32%	0.316	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-85.8	116.2	169.4	50.9	-70	0	0	0	110.3	E257 C446 P451	E257-N449 PolarHBondContact OE2-ND2 3.43Å; C446-N449 PolarHBondContact O-OD1 3.28Å; N449-P451 VanDerWaalsContact O-CD 3.25Å; N449-P451 WeakPolarHBondContact O-CD 3.44Å
450	R	79.2	Confident	73.4	Confident	88 Å²	88	43.6 Å²	43.6	33%	0.332	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-72	118.2	171.5	-175.7	170.8	-167.4	-175.9	5.1	110.3	Y255 G463 Y464	Y255-R450 HydrophobicContact CD1-CG 4.4Å; Y255-R450 HydrophobicContact CD2-CB 3.97Å; Y255-R450 HydrophobicContact CD2-CG 4.35Å; Y255-R450 HydrophobicContact CE1-CB 4.5Å; Y255-R450 HydrophobicContact CE1-CG 3.84Å; Y255-R450 HydrophobicContact CE2-CB 3.65Å; Y255-R450 HydrophobicContact CE2-CG 3.79Å; Y255-R450 WeakPolarHBondContact OH-CD 2.89Å; Y255-R450 PolarHBondContact OH-NE 3.24Å; Y255-R450 VanDerWaalsContact OH-NE 3.17Å; R450-G463 PolarHBondContact NH1-O 3.34Å; R450-G463 PolarHBondContact NH2-O 3.46Å; R450-Y464 HydrophobicContact CG-CE1 4.05Å
451	P	71.7	Confident	72.6	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.078	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-70.8	154.4	178.3	-19.5	34.8	0	0	0	111.8	E257 V300 N449 Y464	E257-P451 HydrophobicContact CG-CG 3.83Å; E257-P451 WeakPolarHBondContact OE1-CG 3.38Å; V300-P451 HydrophobicContact CB-CG 4.32Å; V300-P451 HydrophobicContact CG1-CB 4.28Å; V300-P451 HydrophobicContact CG1-CG 4.16Å; V300-P451 HydrophobicContact CG2-CG 4.09Å; N449-P451 VanDerWaalsContact O-CD 3.25Å; N449-P451 WeakPolarHBondContact O-CD 3.44Å; P451-Y464 WeakPolarHBondContact O-CE1 3.06Å
452	N	66.9	Low	71.5	Confident	115 Å²	115	43.9 Å²	43.9	62%	0.615	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-76.9	156.8	168.5	-62.1	-32.3	0	0	0	110	S131 S132	S131-N452 CarbonylContact C-O 3.57Å; S131-N452 WeakPolarHBondContact CA-O 3.23Å; S132-N452 PolarHBondContact N-O 2.96Å; S132-N452 WeakPolarHBondContact OG-CB 3.21Å
453	K	63.8	Low	70.9	Confident	22 Å²	22	43.7 Å²	43.7	10%	0.096	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-90	153.1	-174.5	-67.8	173.1	156.4	168.4	0	114.3	N127 D128 S132 N462 Y464 E466	N127-K453 HydrophobicContact CB-CD 3.97Å; N127-K453 VanDerWaalsContact CB-CE 3.46Å; N127-K453 WeakPolarHBondContact O-CG 3.38Å; D128-K453 WeakPolarHBondContact OD1-CE 3.39Å; D128-K453 IonicContact OD1-NZ 3.27Å; S132-K453 VanDerWaalsContact CA-C 3.49Å; S132-K453 VanDerWaalsContact CA-O 3.23Å; S132-K453 WeakPolarHBondContact CA-O 3.4Å; S132-K453 WeakPolarHBondContact CB-O 3.46Å; K453-N462 PolarHBondContact NZ-ND2 3.16Å; K453-N462 PolarHBondContact NZ-OD1 3.19Å; K453-Y464 HydrophobicContact CD-CD1 3.75Å; K453-Y464 HydrophobicContact CD-CD2 3.87Å; K453-Y464 HydrophobicContact CD-CE1 4.23Å; K453-Y464 HydrophobicContact CD-CE2 4.32Å; K453-Y464 HydrophobicContact CD-CG 3.53Å; K453-Y464 HydrophobicContact CG-CD1 3.59Å; K453-Y464 HydrophobicContact CG-CD2 4.48Å; K453-Y464 HydrophobicContact CG-CE1 3.8Å; K453-Y464 HydrophobicContact CG-CG 3.95Å; K453-E466 WeakPolarHBondContact CD-OE1 3.46Å
454	L	55.9	Low	69.8	Low	17 Å²	17	44 Å²	44	9%	0.089	24%	0.242	C	C	.	.	S	Bend	trans	-69.2	-31.4	-179.1	-170.4	57.1	0	0	0	116.7	L130 S131 S132 Y134	L130-L454 HydrophobicContact CB-CB 3.84Å; L130-L454 HydrophobicContact CB-CD2 3.68Å; L130-L454 HydrophobicContact CB-CG 4.39Å; L130-L454 HydrophobicContact CD1-CD2 3.54Å; L130-L454 HydrophobicContact CG-CD2 4.25Å; L130-L454 WeakPolarHBondContact O-CB 3.46Å; L130-L454 PolarHBondContact O-N 2.84Å; L130-L454 VanDerWaalsContact O-N 3.16Å; S131-L454 WeakPolarHBondContact O-CB 3.5Å; S131-L454 WeakPolarHBondContact O-CD1 3.24Å; S132-L454 WeakPolarHBondContact O-CD1 3.2Å; Y134-L454 HydrophobicContact CD1-CD2 3.83Å; Y134-L454 HydrophobicContact CG-CD2 4.22Å
455	F	56.4	Low	68.7	Low	34 Å²	34	48.6 Å²	48.6	15%	0.149	27%	0.265	C	S	.	.			trans	-110.4	125	-175.1	-61.9	-87.3	0	0	0	111.4	Q101 G150 H152 S457	Q101-F455 HydrophobicContact CG-CE1 4.11Å; G150-F455 VanDerWaalsContact O-CZ 3.28Å; G150-F455 WeakPolarHBondContact O-CZ 3.47Å; H152-F455 HydrophobicContact CB-CD2 3.95Å; H152-F455 HydrophobicContact CB-CE1 4.27Å; H152-F455 HydrophobicContact CB-CE2 2.95Å; H152-F455 HydrophobicContact CB-CZ 3.14Å; H152-F455 AromaticContact CD2-CD2 3.81Å; H152-F455 AromaticContact CD2-CE2 3.64Å; H152-F455 AromaticContact CG-CE2 3.45Å; H152-F455 VanDerWaalsContact CG-CE2 3.45Å; F455-S457 VanDerWaalsContact C-N 3.28Å; F455-S457 PolarHBondContact O-N 3.19Å
456	E	49.9	Very low	67.6	Low	162 Å²	162	48.8 Å²	48.8	76%	0.757	26%	0.263	S	S	*	.			trans	-86.1	25.2	-179.8	-63.5	-177.4	155.4	0	0	113.8	T458	E456-T458 PolarHBondContact O-N 2.74Å; E456-T458 VanDerWaalsContact O-N 3.13Å
457	S	49.6	Very low	66.2	Low	65 Å²	65	53.5 Å²	53.5	46%	0.455	29%	0.291	S	S	.	.			trans	-78.7	96.8	162.3	54.6	0	0	0	0	107.3	F455 E459	F455-S457 VanDerWaalsContact C-N 3.28Å; F455-S457 PolarHBondContact O-N 3.19Å; S457-E459 PolarHBondContact O-N 3.28Å
458	T	55.3	Low	65	Low	73 Å²	73	57.2 Å²	57.2	45%	0.448	33%	0.33	S	S	.	.			trans	-48.1	108.1	175.7	54.1	0	0	0	0	109.6	E456 E466 V467	E456-T458 PolarHBondContact O-N 2.74Å; E456-T458 VanDerWaalsContact O-N 3.13Å; T458-E466 VanDerWaalsContact CA-OE2 3.22Å; T458-E466 WeakPolarHBondContact CA-OE2 3.49Å; T458-E466 HydrophobicContact CG2-CB 4.06Å; T458-V467 WeakPolarHBondContact CG2-O 3.35Å
459	E	65.4	Low	64.4	Low	59 Å²	59	57.2 Å²	57.2	28%	0.276	33%	0.33	S	S	.	.			trans	-116.4	89.5	-179	-174.5	-178.7	-165.7	0	0	109	A106 N127 S457 G461 N462 E466	A106-E459 WeakPolarHBondContact CB-OE1 3.5Å; N127-E459 PolarHBondContact ND2-OE2 3.45Å; N127-E459 VanDerWaalsContact ND2-OE2 3.12Å; S457-E459 PolarHBondContact O-N 3.28Å; E459-G461 PolarHBondContact O-N 3.34Å; E459-N462 VanDerWaalsContact O-CB 3.3Å; E459-N462 WeakPolarHBondContact O-CB 3.43Å; E459-N462 PolarHBondContact O-N 3.43Å; E459-N462 PolarHBondContact O-ND2 2.91Å; E459-E466 PolarHBondContact N-OE2 2.91Å
460	C	68.3	Low	63.8	Low	65 Å²	65	60 Å²	60	44%	0.439	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	121.5	179.2	174.3	0	0	0	0	113.4	E469 C487	C460-E469 VanDerWaalsContact CA-OE1 3.23Å; C460-E469 WeakPolarHBondContact CA-OE1 3.09Å; C460-E469 PolarHBondContact N-OE1 2.79Å; C460-C487 WeakPolarHBondContact CA-SG 3.38Å; C460-C487 HydrophobicContact CB-CB 3.52Å; C460-C487 WeakPolarHBondContact CB-SG 3.44Å; C460-C487 VanDerWaalsContact SG-CA 3.6Å; C460-C487 WeakPolarHBondContact SG-CB 3.33Å; C460-C487 PolarHBondContact SG-N 2.04Å; C460-C487 CovalentContact SG-SG 2.02Å; C460-C487 PolarHBondContact SG-SG 3.39Å
461	G	68.3	Low	63.5	Low	31 Å²	31	55.9 Å²	55.9	32%	0.32	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	14.7	177.2	0	0	0	0	0	113.2	E459 D472 G474 A475 C487	E459-G461 PolarHBondContact O-N 3.34Å; G461-D472 WeakPolarHBondContact CA-OD1 3.4Å; G461-D472 VanDerWaalsContact N-CG 3.29Å; G461-D472 PolarHBondContact N-OD1 3.41Å; G461-D472 PolarHBondContact N-OD2 2.89Å; G461-G474 CarbonylContact C-O 3.54Å; G461-G474 WeakPolarHBondContact CA-O 3.5Å; G461-G474 CarbonylContact O-C 3.52Å; G461-G474 VanDerWaalsContact O-CA 3.3Å; G461-G474 WeakPolarHBondContact O-CA 3.28Å; G461-A475 PolarHBondContact O-N 2.63Å; G461-C487 PolarHBondContact N-SG 2.96Å; G461-C487 VanDerWaalsContact N-SG 3.36Å
462	N	61.8	Low	63.4	Low	30 Å²	30	55.4 Å²	55.4	16%	0.16	32%	0.323	C	S	.	.	S	Bend	trans	-95.3	-3.5	178.4	77.3	22.4	0	0	0	112.4	K453 E459 Y464 E466 D472	K453-N462 PolarHBondContact NZ-ND2 3.16Å; K453-N462 PolarHBondContact NZ-OD1 3.19Å; E459-N462 VanDerWaalsContact O-CB 3.3Å; E459-N462 WeakPolarHBondContact O-CB 3.43Å; E459-N462 PolarHBondContact O-N 3.43Å; E459-N462 PolarHBondContact O-ND2 2.91Å; N462-Y464 VanDerWaalsContact O-CD2 3.31Å; N462-Y464 WeakPolarHBondContact O-CD2 3.35Å; N462-Y464 WeakPolarHBondContact OD1-CB 3.46Å; N462-Y464 PolarHBondContact OD1-N 2.86Å; N462-E466 PolarHBondContact ND2-OE1 3.43Å; N462-E466 PolarHBondContact ND2-OE2 2.82Å; N462-D472 PolarHBondContact N-OD1 2.69Å; N462-D472 PolarHBondContact N-OD2 3.03Å; N462-D472 PolarHBondContact OD1-OD2 2.97Å; N462-D472 VanDerWaalsContact OD1-OD2 3.11Å
463	G	68.4	Low	63.6	Low	6 Å²	6	50.7 Å²	50.7	6%	0.062	30%	0.299	C	S	.	.	S	Bend	trans	88.6	6.1	176.9	0	0	0	0	0	115.3	R450 D472 G474	R450-G463 PolarHBondContact NH1-O 3.34Å; R450-G463 PolarHBondContact NH2-O 3.46Å; G463-D472 CarbonylContact C-O 3.14Å; G463-D472 WeakPolarHBondContact CA-OD1 3.31Å; G463-D472 PolarHBondContact N-OD1 3.47Å; G463-D472 PolarHBondContact N-OD2 3.3Å; G463-D472 VanDerWaalsContact N-OD2 3.08Å; G463-G474 VanDerWaalsContact CA-N 3.31Å
464	Y	65.5	Low	63.9	Low	16 Å²	16	50.1 Å²	50.1	6%	0.063	30%	0.299	C	S	.	.	S	Bend	trans	-121.2	128.9	-175.8	-69.5	-112.2	0	0	0	110.2	D128 R450 P451 K453 N462 E466 D472	D128-Y464 WeakPolarHBondContact CB-OH 3.06Å; D128-Y464 VanDerWaalsContact CG-CE2 3.46Å; D128-Y464 WeakPolarHBondContact OD1-CE2 3.35Å; D128-Y464 PolarHBondContact OD1-OH 3.39Å; D128-Y464 PolarHBondContact OD2-OH 3.03Å; R450-Y464 HydrophobicContact CG-CE1 4.05Å; P451-Y464 WeakPolarHBondContact O-CE1 3.06Å; K453-Y464 HydrophobicContact CD-CD1 3.75Å; K453-Y464 HydrophobicContact CD-CD2 3.87Å; K453-Y464 HydrophobicContact CD-CE1 4.23Å; K453-Y464 HydrophobicContact CD-CE2 4.32Å; K453-Y464 HydrophobicContact CD-CG 3.53Å; K453-Y464 HydrophobicContact CG-CD1 3.59Å; K453-Y464 HydrophobicContact CG-CD2 4.48Å; K453-Y464 HydrophobicContact CG-CE1 3.8Å; K453-Y464 HydrophobicContact CG-CG 3.95Å; N462-Y464 VanDerWaalsContact O-CD2 3.31Å; N462-Y464 WeakPolarHBondContact O-CD2 3.35Å; N462-Y464 WeakPolarHBondContact OD1-CB 3.46Å; N462-Y464 PolarHBondContact OD1-N 2.86Å; Y464-E466 PolarHBondContact O-N 2.6Å; Y464-D472 VanDerWaalsContact O-CB 3.31Å; Y464-D472 WeakPolarHBondContact O-CB 3.4Å
465	I	64.3	Low	64.4	Low	100 Å²	100	51.4 Å²	51.4	51%	0.513	31%	0.312	S	S	.	.			trans	-76.7	100.7	177.9	-55.1	177.3	0	0	0	108.1
466	E	62.5	Low	64.8	Low	24 Å²	24	57.9 Å²	57.9	11%	0.112	34%	0.335	C	S	.	.			trans	-96.7	169.5	-177.8	-69.1	166.4	161.6	0	0	111.7	K453 T458 E459 N462 Y464 G468 E469	K453-E466 WeakPolarHBondContact CD-OE1 3.46Å; T458-E466 VanDerWaalsContact CA-OE2 3.22Å; T458-E466 WeakPolarHBondContact CA-OE2 3.49Å; T458-E466 HydrophobicContact CG2-CB 4.06Å; E459-E466 PolarHBondContact N-OE2 2.91Å; N462-E466 PolarHBondContact ND2-OE1 3.43Å; N462-E466 PolarHBondContact ND2-OE2 2.82Å; Y464-E466 PolarHBondContact O-N 2.6Å; E466-G468 PolarHBondContact O-N 3.14Å; E466-E469 PolarHBondContact O-N 3.3Å
467	V	61.1	Low	65.3	Low	121 Å²	121	55.3 Å²	55.3	73%	0.733	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	108.2	-175.4	178.3	0	0	0	0	111.1	T458	T458-V467 WeakPolarHBondContact CG2-O 3.35Å
468	G	66.4	Low	65.7	Low	79 Å²	79	59 Å²	59	81%	0.814	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.8	-6.6	-177.9	0	0	0	0	0	113.6	E466	E466-G468 PolarHBondContact O-N 3.14Å
469	E	71.4	Confident	66.2	Low	23 Å²	23	56.2 Å²	56.2	11%	0.107	33%	0.329	C	S	.	.			trans	-98.7	144.5	170	-56.7	-167.2	174.2	0	0	110.1	C460 E466 C487	C460-E469 VanDerWaalsContact CA-OE1 3.23Å; C460-E469 WeakPolarHBondContact CA-OE1 3.09Å; C460-E469 PolarHBondContact N-OE1 2.79Å; E466-E469 PolarHBondContact O-N 3.3Å; E469-C487 WeakPolarHBondContact CA-O 3.36Å; E469-C487 HydrophobicContact CB-CB 3.95Å; E469-C487 HydrophobicContact CG-CB 3.8Å; E469-C487 WeakPolarHBondContact OE2-CB 3.34Å
470	E	66.9	Low	66.2	Low	119 Å²	119	56.5 Å²	56.5	56%	0.556	33%	0.328	S	S	*	.	S	Bend	trans	-98.7	-18.6	174.1	-61.2	178.2	156.2	0	0	111.9	C487 L489	E470-C487 PolarHBondContact N-O 3.38Å; E470-L489 HydrophobicContact CB-CB 4.4Å; E470-L489 HydrophobicContact CB-CD1 4.11Å; E470-L489 HydrophobicContact CB-CG 3.92Å; E470-L489 PolarHBondContact OE2-N 3.04Å
471	C	73.1	Confident	66	Low	1 Å²	1	60.6 Å²	60.6	1%	0.007	34%	0.338	C	S	.	.			trans	-159	148.7	178.6	56.1	0	0	0	0	110.3	C484 C487 S488 L489 A496	C471-C484 HydrophobicContact CB-CB 3.92Å; C471-C484 WeakPolarHBondContact CB-SG 3.36Å; C471-C484 PolarHBondContact O-SG 3.1Å; C471-C484 WeakPolarHBondContact SG-CA 3.45Å; C471-C484 WeakPolarHBondContact SG-CB 3.44Å; C471-C484 CovalentContact SG-SG 2.04Å; C471-C484 PolarHBondContact SG-SG 3.31Å; C471-C487 CarbonylContact O-C 3.52Å; C471-C487 WeakPolarHBondContact O-CA 3.21Å; C471-C487 WeakPolarHBondContact O-CB 3.14Å; C471-C487 PolarHBondContact O-SG 2.88Å; C471-S488 PolarHBondContact SG-O 2.99Å; C471-S488 VanDerWaalsContact SG-O 3.34Å; C471-L489 HydrophobicContact CB-CD2 3.73Å; C471-L489 HydrophobicContact CB-CG 4.09Å; C471-A496 HydrophobicContact CB-CB 3.43Å; C471-A496 VanDerWaalsContact CB-CB 3.43Å
472	D	70.6	Confident	66.1	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	35%	0.349	C	S	.	.			trans	-150	114.1	164.7	-169.4	-19.6	0	0	0	108.9	G461 N462 G463 Y464 G474	G461-D472 WeakPolarHBondContact CA-OD1 3.4Å; G461-D472 VanDerWaalsContact N-CG 3.29Å; G461-D472 PolarHBondContact N-OD1 3.41Å; G461-D472 PolarHBondContact N-OD2 2.89Å; N462-D472 PolarHBondContact N-OD1 2.69Å; N462-D472 PolarHBondContact N-OD2 3.03Å; N462-D472 PolarHBondContact OD1-OD2 2.97Å; N462-D472 VanDerWaalsContact OD1-OD2 3.11Å; G463-D472 CarbonylContact C-O 3.14Å; G463-D472 WeakPolarHBondContact CA-OD1 3.31Å; G463-D472 PolarHBondContact N-OD1 3.47Å; G463-D472 PolarHBondContact N-OD2 3.3Å; G463-D472 VanDerWaalsContact N-OD2 3.08Å; Y464-D472 VanDerWaalsContact O-CB 3.31Å; Y464-D472 WeakPolarHBondContact O-CB 3.4Å; D472-G474 PolarHBondContact OD1-N 3.12Å
473	C	70.9	Confident	66.9	Low	17 Å²	17	63.1 Å²	63.1	12%	0.115	34%	0.341	C	S	.	.			trans	-104.6	15.1	-175.7	46.8	0	0	0	0	112.5	C479 A496 D497	C473-C479 HydrophobicContact CB-CB 3.7Å; C473-C479 WeakPolarHBondContact CB-SG 3.34Å; C473-C479 WeakPolarHBondContact SG-CB 3.22Å; C473-C479 CovalentContact SG-SG 2.02Å; C473-C479 PolarHBondContact SG-SG 2.85Å; C473-A496 HydrophobicContact CB-CB 4.38Å; C473-D497 HydrophobicContact CB-CB 4.07Å
474	G	70.7	Confident	67.4	Low	9 Å²	9	63.5 Å²	63.5	9%	0.093	34%	0.342	C	S	.	.	S	Bend	trans	82.3	-147.4	-176.8	0	0	0	0	0	111.4	G461 G463 D472	G461-G474 CarbonylContact C-O 3.54Å; G461-G474 WeakPolarHBondContact CA-O 3.5Å; G461-G474 CarbonylContact O-C 3.52Å; G461-G474 VanDerWaalsContact O-CA 3.3Å; G461-G474 WeakPolarHBondContact O-CA 3.28Å; G463-G474 VanDerWaalsContact CA-N 3.31Å; D472-G474 PolarHBondContact OD1-N 3.12Å
475	A	65.5	Low	68	Low	45 Å²	45	67.6 Å²	67.6	37%	0.372	36%	0.361	S	S	.	.	S	Bend	trans	-58.5	147	176.6	0	0	0	0	0	110.3	G461 S477 E478 C479	G461-A475 PolarHBondContact O-N 2.63Å; A475-S477 PolarHBondContact O-N 3Å; A475-E478 HydrophobicContact CB-CG 4.35Å; A475-E478 WeakPolarHBondContact O-CB 3.46Å; A475-E478 PolarHBondContact O-N 3.13Å; A475-C479 PolarHBondContact O-N 3.49Å
476	R	64.1	Low	68.7	Low	169 Å²	169	71.3 Å²	71.3	64%	0.638	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.3	-177	-168.8	172.4	-177.5	124.4	2.8	113.7	E482	R476-E482 IonicContact NH2-OE1 3.81Å
477	S	61.2	Low	69.3	Low	109 Å²	109	70.4 Å²	70.4	76%	0.762	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.7	174.4	45.9	0	0	0	0	114.4	A475	A475-S477 PolarHBondContact O-N 3Å
478	E	58.6	Low	70.1	Confident	142 Å²	142	67.4 Å²	67.4	66%	0.664	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-17.2	-177.6	-62.9	176.6	176.9	0	0	112.1	A475	A475-E478 HydrophobicContact CB-CG 4.35Å; A475-E478 WeakPolarHBondContact O-CB 3.46Å; A475-E478 PolarHBondContact O-N 3.13Å
479	C	65	Low	70.5	Confident	14 Å²	14	65.6 Å²	65.6	10%	0.095	33%	0.325	C	S	.	.	S	Bend	trans	-67.9	139.6	176.8	-144.6	0	0	0	0	113.3	C473 A475 K481 C484	C473-C479 HydrophobicContact CB-CB 3.7Å; C473-C479 WeakPolarHBondContact CB-SG 3.34Å; C473-C479 WeakPolarHBondContact SG-CB 3.22Å; C473-C479 CovalentContact SG-SG 2.02Å; C473-C479 PolarHBondContact SG-SG 2.85Å; A475-C479 PolarHBondContact O-N 3.49Å; C479-K481 PolarHBondContact O-N 2.93Å; C479-C484 VanDerWaalsContact SG-CB 3.55Å
480	Y	65.1	Low	70.9	Confident	65 Å²	65	66 Å²	66	26%	0.255	33%	0.332	S	S	.	.	S	Bend	trans	-65.2	101.1	165.7	-67.6	-57.7	0	0	0	109.6	C483 A496	Y480-C483 VanDerWaalsContact O-CB 3.27Å; Y480-C483 WeakPolarHBondContact O-CB 3.29Å; Y480-C483 PolarHBondContact O-N 2.86Å; Y480-C483 PolarHBondContact O-SG 3.1Å; Y480-A496 WeakPolarHBondContact CD2-O 3.46Å
481	K	63.9	Low	71.2	Confident	151 Å²	151	68.9 Å²	68.9	66%	0.657	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-149.6	174.5	-58.6	178.9	-178.1	158.6	0	113.3	C479 C483 N503	C479-K481 PolarHBondContact O-N 2.93Å; K481-C483 PolarHBondContact O-N 3.08Å; K481-N503 WeakPolarHBondContact CD-O 3.42Å; K481-N503 WeakPolarHBondContact CE-O 3.31Å; K481-N503 PolarHBondContact NZ-O 3.06Å
482	E	71.6	Confident	71.1	Confident	115 Å²	115	71.7 Å²	71.7	54%	0.537	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	23.9	173.4	-62.8	-139.1	140.1	0	0	112.9	R476 C484 A490	R476-E482 IonicContact NH2-OE1 3.81Å; E482-C484 PolarHBondContact O-N 3Å; E482-A490 WeakPolarHBondContact O-CB 3.28Å
483	C	78.1	Confident	71.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-61.9	-32.8	-178.7	-62.4	0	0	0	0	112.8	Y480 K481 A490 A496 C505	Y480-C483 VanDerWaalsContact O-CB 3.27Å; Y480-C483 WeakPolarHBondContact O-CB 3.29Å; Y480-C483 PolarHBondContact O-N 2.86Å; Y480-C483 PolarHBondContact O-SG 3.1Å; K481-C483 PolarHBondContact O-N 3.08Å; C483-A490 PolarHBondContact O-N 2.91Å; C483-A496 HydrophobicContact CB-CB 4.5Å; C483-C505 WeakPolarHBondContact CA-SG 3.39Å; C483-C505 HydrophobicContact CB-CB 3.56Å; C483-C505 WeakPolarHBondContact CB-SG 3.03Å; C483-C505 WeakPolarHBondContact SG-CA 3.48Å; C483-C505 WeakPolarHBondContact SG-CB 3.39Å; C483-C505 CovalentContact SG-SG 2Å; C483-C505 PolarHBondContact SG-SG 2.94Å
484	C	79.3	Confident	71.9	Confident	13 Å²	13	76.6 Å²	76.6	9%	0.088	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.2	174.4	-162.4	0	0	0	0	110	C471 C479 E482 A496	C471-C484 HydrophobicContact CB-CB 3.92Å; C471-C484 WeakPolarHBondContact CB-SG 3.36Å; C471-C484 PolarHBondContact O-SG 3.1Å; C471-C484 WeakPolarHBondContact SG-CA 3.45Å; C471-C484 WeakPolarHBondContact SG-CB 3.44Å; C471-C484 CovalentContact SG-SG 2.04Å; C471-C484 PolarHBondContact SG-SG 3.31Å; C479-C484 VanDerWaalsContact SG-CB 3.55Å; E482-C484 PolarHBondContact O-N 3Å; C484-A496 HydrophobicContact CB-CB 3.68Å
485	K	78.6	Confident	72.2	Confident	103 Å²	103	76.5 Å²	76.5	45%	0.448	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.3	179	-172.6	173.8	-174.9	165.4	0	109.8	C487 S488	K485-C487 PolarHBondContact O-N 3.29Å; K485-S488 PolarHBondContact N-O 2.61Å; K485-S488 PolarHBondContact O-N 2.95Å
486	K	78.1	Confident	72.7	Confident	177 Å²	177	74.5 Å²	74.5	77%	0.77	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.5	-174.7	-54.9	-179.7	174.7	-173.5	0	111.6	S488	K486-S488 PolarHBondContact O-N 3.03Å; K486-S488 VanDerWaalsContact O-N 3.11Å
487	C	75.3	Confident	73.2	Confident	6 Å²	6	67.9 Å²	67.9	4%	0.041	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	27	179.1	-57	0	0	0	0	115	C460 G461 E469 E470 C471 K485	C460-C487 WeakPolarHBondContact CA-SG 3.38Å; C460-C487 HydrophobicContact CB-CB 3.52Å; C460-C487 WeakPolarHBondContact CB-SG 3.44Å; C460-C487 VanDerWaalsContact SG-CA 3.6Å; C460-C487 WeakPolarHBondContact SG-CB 3.33Å; C460-C487 PolarHBondContact SG-N 2.04Å; C460-C487 CovalentContact SG-SG 2.02Å; C460-C487 PolarHBondContact SG-SG 3.39Å; G461-C487 PolarHBondContact N-SG 2.96Å; G461-C487 VanDerWaalsContact N-SG 3.36Å; E469-C487 WeakPolarHBondContact CA-O 3.36Å; E469-C487 HydrophobicContact CB-CB 3.95Å; E469-C487 HydrophobicContact CG-CB 3.8Å; E469-C487 WeakPolarHBondContact OE2-CB 3.34Å; E470-C487 PolarHBondContact N-O 3.38Å; C471-C487 CarbonylContact O-C 3.52Å; C471-C487 WeakPolarHBondContact O-CA 3.21Å; C471-C487 WeakPolarHBondContact O-CB 3.14Å; C471-C487 PolarHBondContact O-SG 2.88Å; K485-C487 PolarHBondContact O-N 3.29Å
488	S	78.8	Confident	73.9	Confident	57 Å²	57	63.3 Å²	63.3	40%	0.399	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.6	163.8	-48.9	0	0	0	0	108	C471 K485 K486 A490	C471-S488 PolarHBondContact SG-O 2.99Å; C471-S488 VanDerWaalsContact SG-O 3.34Å; K485-S488 PolarHBondContact N-O 2.61Å; K485-S488 PolarHBondContact O-N 2.95Å; K486-S488 PolarHBondContact O-N 3.03Å; K486-S488 VanDerWaalsContact O-N 3.11Å; S488-A490 PolarHBondContact O-N 2.83Å
489	L	73.9	Confident	75	Confident	42 Å²	42	58.4 Å²	58.4	22%	0.22	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.1	176.7	-75.1	167.7	0	0	0	108.7	E470 C471 A493 A496	E470-L489 HydrophobicContact CB-CB 4.4Å; E470-L489 HydrophobicContact CB-CD1 4.11Å; E470-L489 HydrophobicContact CB-CG 3.92Å; E470-L489 PolarHBondContact OE2-N 3.04Å; C471-L489 HydrophobicContact CB-CD2 3.73Å; C471-L489 HydrophobicContact CB-CG 4.09Å; L489-A493 HydrophobicContact CB-CB 4.19Å; L489-A493 HydrophobicContact CD2-CB 4.07Å; L489-A496 HydrophobicContact CD2-CB 4.36Å
490	A	78.8	Confident	76	Confident	31 Å²	31	57.7 Å²	57.7	26%	0.256	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65.9	158.7	172.7	0	0	0	0	0	111.2	E482 C483 S488 G492 A493	E482-A490 WeakPolarHBondContact O-CB 3.28Å; C483-A490 PolarHBondContact O-N 2.91Å; S488-A490 PolarHBondContact O-N 2.83Å; A490-G492 PolarHBondContact O-N 3.37Å; A490-A493 HydrophobicContact CB-CB 4.35Å; A490-A493 VanDerWaalsContact O-CB 3.23Å; A490-A493 WeakPolarHBondContact O-CB 3.46Å; A490-A493 PolarHBondContact O-N 2.9Å
491	N	74.6	Confident	76.9	Confident	179 Å²	179	54.8 Å²	54.8	96%	0.957	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	118.4	178.9	-75.9	-22.3	0	0	0	111.2
492	G	69.9	Low	77.9	Confident	61 Å²	61	49.6 Å²	49.6	63%	0.629	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	3.1	-178.6	0	0	0	0	0	115.1	A490	A490-G492 PolarHBondContact O-N 3.37Å
493	A	79.2	Confident	78.4	Confident	13 Å²	13	48.1 Å²	48.1	11%	0.107	27%	0.272	C	S	.	.			trans	-83.3	137.4	170.1	0	0	0	0	0	110.6	L489 A490 C505	L489-A493 HydrophobicContact CB-CB 4.19Å; L489-A493 HydrophobicContact CD2-CB 4.07Å; A490-A493 HydrophobicContact CB-CB 4.35Å; A490-A493 VanDerWaalsContact O-CB 3.23Å; A490-A493 WeakPolarHBondContact O-CB 3.46Å; A490-A493 PolarHBondContact O-N 2.9Å; A493-C505 CarbonylContact C-O 3.49Å; A493-C505 WeakPolarHBondContact CA-O 3.45Å; A493-C505 HydrophobicContact CB-CB 3.44Å; A493-C505 VanDerWaalsContact CB-CB 3.44Å
494	H	79.2	Confident	78.6	Confident	107 Å²	107	51.9 Å²	51.9	50%	0.495	30%	0.295	S	S	.	.	S	Bend	trans	-107.6	-20	173.2	-64.4	-174	0	0	0	111.7	C505 F507	H494-C505 PolarHBondContact N-O 3.3Å; H494-F507 HydrophobicContact CB-CD1 4.46Å; H494-F507 HydrophobicContact CB-CD2 3.85Å; H494-F507 HydrophobicContact CB-CE1 4.29Å; H494-F507 HydrophobicContact CB-CE2 3.66Å; H494-F507 HydrophobicContact CB-CG 4.25Å; H494-F507 HydrophobicContact CB-CZ 3.88Å; H494-F507 WeakPolarHBondContact O-CE1 3.38Å; H494-F507 WeakPolarHBondContact O-CZ 3.28Å
495	C	78.3	Confident	78.7	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.054	30%	0.297	C	S	.	.			trans	-148.4	163.3	179	59.8	0	0	0	0	110.8	C501 C505 L506 F507	C495-C501 HydrophobicContact CB-CB 3.68Å; C495-C501 WeakPolarHBondContact CB-SG 3.46Å; C495-C501 WeakPolarHBondContact SG-CA 3.34Å; C495-C501 WeakPolarHBondContact SG-CB 3.47Å; C495-C501 CovalentContact SG-SG 2.03Å; C495-C501 PolarHBondContact SG-SG 3.43Å; C495-C505 PolarHBondContact N-O 3Å; C495-C505 VanDerWaalsContact SG-C 3.58Å; C495-L506 PolarHBondContact SG-O 3.43Å; C495-F507 HydrophobicContact CB-CD1 3.73Å; C495-F507 HydrophobicContact CB-CE1 3.56Å
496	A	74.9	Confident	78.9	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.017	29%	0.293	C	S	.	.	S	Bend	trans	-120.7	-35	177.7	0	0	0	0	0	113.8	C471 C473 Y480 C483 C484 L489	C471-A496 HydrophobicContact CB-CB 3.43Å; C471-A496 VanDerWaalsContact CB-CB 3.43Å; C473-A496 HydrophobicContact CB-CB 4.38Å; Y480-A496 WeakPolarHBondContact CD2-O 3.46Å; C483-A496 HydrophobicContact CB-CB 4.5Å; C484-A496 HydrophobicContact CB-CB 3.68Å; L489-A496 HydrophobicContact CD2-CB 4.36Å
497	D	75.2	Confident	79.1	Confident	31 Å²	31	44.7 Å²	44.7	17%	0.166	27%	0.268	C	S	.	.	S	Bend	trans	-145.8	178.6	-174.2	75.4	-49.9	0	0	0	111.3	C473 C501 Q533	C473-D497 HydrophobicContact CB-CB 4.07Å; D497-C501 WeakPolarHBondContact O-CB 3.45Å; D497-Q533 PolarHBondContact OD2-NE2 3.22Å; D497-Q533 VanDerWaalsContact OD2-NE2 3.09Å
498	G	76.4	Confident	79.5	Confident	12 Å²	12	47.4 Å²	47.4	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	93.8	163.5	175.1	0	0	0	0	0	115.6	C500 C501 G532	G498-C500 PolarHBondContact O-N 2.87Å; G498-C501 PolarHBondContact O-N 2.87Å; G498-G532 CarbonylContact C-O 3.45Å; G498-G532 VanDerWaalsContact CA-O 3.3Å; G498-G532 WeakPolarHBondContact CA-O 3.32Å
499	P	80	Confident	79.7	Confident	39 Å²	39	49 Å²	49	25%	0.253	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.3	-174.4	-22.6	34.8	0	0	0	114.7	C514 C534	P499-C514 HydrophobicContact CB-CB 3.95Å; P499-C534 HydrophobicContact CB-CB 4.25Å; P499-C534 HydrophobicContact CG-CB 4.16Å
500	C	86.1	Confident	80.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.5	179.3	-70.5	0	0	0	0	113.3	G498 Y508 C514 C527 S531 G532	G498-C500 PolarHBondContact O-N 2.87Å; C500-Y508 PolarHBondContact O-N 3.4Å; C500-C514 VanDerWaalsContact SG-CB 3.51Å; C500-C527 WeakPolarHBondContact CA-SG 3.29Å; C500-C527 HydrophobicContact CB-CB 3.73Å; C500-C527 WeakPolarHBondContact CB-SG 3.39Å; C500-C527 WeakPolarHBondContact SG-CA 3.35Å; C500-C527 WeakPolarHBondContact SG-CB 3.4Å; C500-C527 CovalentContact SG-SG 2.03Å; C500-C527 PolarHBondContact SG-SG 3.03Å; C500-S531 VanDerWaalsContact CB-O 3.24Å; C500-S531 WeakPolarHBondContact CB-O 3.1Å; C500-G532 CarbonylContact C-O 3.57Å; C500-G532 VanDerWaalsContact CA-O 3.32Å; C500-G532 WeakPolarHBondContact CA-O 3.38Å; C500-G532 WeakPolarHBondContact CB-O 3.47Å; C500-G532 PolarHBondContact N-O 3.02Å
501	C	84.3	Confident	80.3	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.02	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-105	129	174	-167.2	0	0	0	0	111.9	C495 D497 G498 G532	C495-C501 HydrophobicContact CB-CB 3.68Å; C495-C501 WeakPolarHBondContact CB-SG 3.46Å; C495-C501 WeakPolarHBondContact SG-CA 3.34Å; C495-C501 WeakPolarHBondContact SG-CB 3.47Å; C495-C501 CovalentContact SG-SG 2.03Å; C495-C501 PolarHBondContact SG-SG 3.43Å; D497-C501 WeakPolarHBondContact O-CB 3.45Å; G498-C501 PolarHBondContact O-N 2.87Å; C501-G532 PolarHBondContact N-O 3.18Å
502	N	85.9	Confident	80.9	Confident	42 Å²	42	48.9 Å²	48.9	23%	0.225	27%	0.273	C	S	.	.			trans	-86.4	151.7	174.4	136	31	0	0	0	110.5	T504 C505 L506 Y508	N502-T504 PolarHBondContact ND2-OG1 3.38Å; N502-T504 PolarHBondContact O-N 2.91Å; N502-T504 PolarHBondContact OD1-N 2.77Å; N502-T504 PolarHBondContact OD1-OG1 2.89Å; N502-C505 PolarHBondContact O-N 2.92Å; N502-L506 WeakPolarHBondContact CB-O 3.06Å; N502-L506 PolarHBondContact N-O 3.05Å; N502-Y508 HydrophobicContact CB-CD1 4.45Å; N502-Y508 HydrophobicContact CB-CD2 4.47Å; N502-Y508 HydrophobicContact CB-CE1 4.02Å; N502-Y508 HydrophobicContact CB-CE2 4.05Å
503	N	81.4	Confident	81.7	Confident	85 Å²	85	47 Å²	47	46%	0.455	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-2.7	173.9	-57.4	-7	0	0	0	116.8	K481	K481-N503 WeakPolarHBondContact CD-O 3.42Å; K481-N503 WeakPolarHBondContact CE-O 3.31Å; K481-N503 PolarHBondContact NZ-O 3.06Å
504	T	82.7	Confident	82	Confident	78 Å²	78	47 Å²	47	48%	0.479	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	16.8	170.3	71.9	0	0	0	0	112.7	N502 L506	N502-T504 PolarHBondContact ND2-OG1 3.38Å; N502-T504 PolarHBondContact O-N 2.91Å; N502-T504 PolarHBondContact OD1-N 2.77Å; N502-T504 PolarHBondContact OD1-OG1 2.89Å; T504-L506 VanDerWaalsContact C-N 3.28Å; T504-L506 PolarHBondContact O-N 3.35Å
505	C	80.4	Confident	82.3	Confident	19 Å²	19	42.5 Å²	42.5	13%	0.128	23%	0.228	C	C	.	.	S	Bend	trans	67	21.8	177.4	-33.1	0	0	0	0	114.8	C483 A493 H494 C495 N502	C483-C505 WeakPolarHBondContact CA-SG 3.39Å; C483-C505 HydrophobicContact CB-CB 3.56Å; C483-C505 WeakPolarHBondContact CB-SG 3.03Å; C483-C505 WeakPolarHBondContact SG-CA 3.48Å; C483-C505 WeakPolarHBondContact SG-CB 3.39Å; C483-C505 CovalentContact SG-SG 2Å; C483-C505 PolarHBondContact SG-SG 2.94Å; A493-C505 CarbonylContact C-O 3.49Å; A493-C505 WeakPolarHBondContact CA-O 3.45Å; A493-C505 HydrophobicContact CB-CB 3.44Å; A493-C505 VanDerWaalsContact CB-CB 3.44Å; H494-C505 PolarHBondContact N-O 3.3Å; C495-C505 PolarHBondContact N-O 3Å; C495-C505 VanDerWaalsContact SG-C 3.58Å; N502-C505 PolarHBondContact O-N 2.92Å
506	L	83.1	Confident	82.7	Confident	70 Å²	70	46.5 Å²	46.5	37%	0.366	24%	0.243	S	C	.	.			trans	-115	145.8	-179.8	-62.9	177	0	0	0	109.8	C495 N502 T504	C495-L506 PolarHBondContact SG-O 3.43Å; N502-L506 WeakPolarHBondContact CB-O 3.06Å; N502-L506 PolarHBondContact N-O 3.05Å; T504-L506 VanDerWaalsContact C-N 3.28Å; T504-L506 PolarHBondContact O-N 3.35Å
507	F	82.1	Confident	83.3	Confident	54 Å²	54	47.5 Å²	47.5	24%	0.237	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-58.6	141	172.1	-58.4	-47.9	0	0	0	110.3	H494 C495 G529 D530 S531 G532	H494-F507 HydrophobicContact CB-CD1 4.46Å; H494-F507 HydrophobicContact CB-CD2 3.85Å; H494-F507 HydrophobicContact CB-CE1 4.29Å; H494-F507 HydrophobicContact CB-CE2 3.66Å; H494-F507 HydrophobicContact CB-CG 4.25Å; H494-F507 HydrophobicContact CB-CZ 3.88Å; H494-F507 WeakPolarHBondContact O-CE1 3.38Å; H494-F507 WeakPolarHBondContact O-CZ 3.28Å; C495-F507 HydrophobicContact CB-CD1 3.73Å; C495-F507 HydrophobicContact CB-CE1 3.56Å; F507-G529 WeakPolarHBondContact CD2-O 3.24Å; F507-D530 VanDerWaalsContact CE2-C 3.46Å; F507-D530 WeakPolarHBondContact CE2-O 3.31Å; F507-D530 VanDerWaalsContact CZ-C 3.5Å; F507-D530 VanDerWaalsContact CZ-O 3.26Å; F507-D530 WeakPolarHBondContact CZ-O 3.27Å; F507-S531 WeakPolarHBondContact CD1-O 3.49Å; F507-G532 VanDerWaalsContact CE1-N 3.31Å
508	Y	85.2	Confident	83.7	Confident	63 Å²	63	47.6 Å²	47.6	25%	0.247	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.5	144.4	160.2	-80.8	-67	0	0	0	109.6	C500 N502 Y512	C500-Y508 PolarHBondContact O-N 3.4Å; N502-Y508 HydrophobicContact CB-CD1 4.45Å; N502-Y508 HydrophobicContact CB-CD2 4.47Å; N502-Y508 HydrophobicContact CB-CE1 4.02Å; N502-Y508 HydrophobicContact CB-CE2 4.05Å; Y508-Y512 HydrophobicContact CD1-CD1 4.01Å; Y508-Y512 AromaticContact CD1-CD2 3.67Å; Y508-Y512 HydrophobicContact CD1-CD2 3.67Å; Y508-Y512 HydrophobicContact CD1-CE1 4.01Å; Y508-Y512 AromaticContact CD1-CE2 3.67Å; Y508-Y512 HydrophobicContact CD1-CE2 3.67Å; Y508-Y512 AromaticContact CD1-CG 3.85Å; Y508-Y512 HydrophobicContact CD1-CG 3.85Å; Y508-Y512 AromaticContact CD1-CZ 3.84Å; Y508-Y512 AromaticContact CD2-CD1 3.86Å; Y508-Y512 HydrophobicContact CD2-CD1 3.86Å; Y508-Y512 AromaticContact CD2-CE1 3.74Å; Y508-Y512 HydrophobicContact CD2-CE1 3.74Å; Y508-Y512 HydrophobicContact CD2-CG 4.46Å; Y508-Y512 HydrophobicContact CE1-CD2 4.22Å; Y508-Y512 HydrophobicContact CE1-CE1 4.16Å; Y508-Y512 AromaticContact CE1-CE2 3.72Å; Y508-Y512 HydrophobicContact CE1-CE2 3.72Å; Y508-Y512 AromaticContact CE1-CZ 3.69Å; Y508-Y512 HydrophobicContact CE2-CD1 4.48Å; Y508-Y512 AromaticContact CE2-CE1 3.91Å; Y508-Y512 HydrophobicContact CE2-CE1 3.91Å; Y508-Y512 AromaticContact CG-CD1 3.6Å; Y508-Y512 HydrophobicContact CG-CD1 3.6Å; Y508-Y512 HydrophobicContact CG-CD2 4.08Å; Y508-Y512 AromaticContact CG-CE1 3.8Å; Y508-Y512 HydrophobicContact CG-CE1 3.8Å; Y508-Y512 HydrophobicContact CG-CE2 4.26Å; Y508-Y512 AromaticContact CG-CG 3.75Å; Y508-Y512 HydrophobicContact CG-CG 3.75Å; Y508-Y512 AromaticContact CZ-CZ 3.84Å
509	P	82.9	Confident	84.1	Confident	91 Å²	91	47.9 Å²	47.9	59%	0.591	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-61.8	152.2	-179.3	27.2	-34.5	0	0	0	110.8	G511 Y512	P509-G511 PolarHBondContact O-N 3.35Å; P509-Y512 VanDerWaalsContact O-CB 3.23Å; P509-Y512 WeakPolarHBondContact O-CB 3.46Å; P509-Y512 PolarHBondContact O-N 3.36Å
510	R	83.4	Confident	84.6	Confident	140 Å²	140	49.1 Å²	49.1	53%	0.528	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	132.8	174.1	-177.6	177.2	168.5	93.1	-4.5	110.5	C527 S528 D726	R510-C527 VanDerWaalsContact CA-O 3.29Å; R510-C527 WeakPolarHBondContact CA-O 3.47Å; R510-S528 WeakPolarHBondContact CB-O 3.39Å; R510-S528 WeakPolarHBondContact CG-O 3.4Å; R510-D726 IonicContact CZ-OD2 3.3Å; R510-D726 IonicContact NE-OD2 3.32Å; R510-D726 IonicContact NH2-OD2 3.39Å; R510-D726 PolarHBondContact NH2-OD2 3Å
511	G	81.6	Confident	85	Confident	29 Å²	29	49.1 Å²	49.1	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-2.2	-178.1	0	0	0	0	0	114.9	P509 S513 C527	P509-G511 PolarHBondContact O-N 3.35Å; G511-S513 PolarHBondContact O-N 3.1Å; G511-C527 PolarHBondContact N-O 3.41Å
512	Y	86.3	Confident	85.3	Confident	79 Å²	79	49.4 Å²	49.4	31%	0.31	26%	0.257	S	S	.	.			trans	-66.3	126.9	169.2	-175.8	-90.9	0	0	0	110.4	Y508 P509 C514 T526 C527	Y508-Y512 HydrophobicContact CD1-CD1 4.01Å; Y508-Y512 AromaticContact CD1-CD2 3.67Å; Y508-Y512 HydrophobicContact CD1-CD2 3.67Å; Y508-Y512 HydrophobicContact CD1-CE1 4.01Å; Y508-Y512 AromaticContact CD1-CE2 3.67Å; Y508-Y512 HydrophobicContact CD1-CE2 3.67Å; Y508-Y512 AromaticContact CD1-CG 3.85Å; Y508-Y512 HydrophobicContact CD1-CG 3.85Å; Y508-Y512 AromaticContact CD1-CZ 3.84Å; Y508-Y512 AromaticContact CD2-CD1 3.86Å; Y508-Y512 HydrophobicContact CD2-CD1 3.86Å; Y508-Y512 AromaticContact CD2-CE1 3.74Å; Y508-Y512 HydrophobicContact CD2-CE1 3.74Å; Y508-Y512 HydrophobicContact CD2-CG 4.46Å; Y508-Y512 HydrophobicContact CE1-CD2 4.22Å; Y508-Y512 HydrophobicContact CE1-CE1 4.16Å; Y508-Y512 AromaticContact CE1-CE2 3.72Å; Y508-Y512 HydrophobicContact CE1-CE2 3.72Å; Y508-Y512 AromaticContact CE1-CZ 3.69Å; Y508-Y512 HydrophobicContact CE2-CD1 4.48Å; Y508-Y512 AromaticContact CE2-CE1 3.91Å; Y508-Y512 HydrophobicContact CE2-CE1 3.91Å; Y508-Y512 AromaticContact CG-CD1 3.6Å; Y508-Y512 HydrophobicContact CG-CD1 3.6Å; Y508-Y512 HydrophobicContact CG-CD2 4.08Å; Y508-Y512 AromaticContact CG-CE1 3.8Å; Y508-Y512 HydrophobicContact CG-CE1 3.8Å; Y508-Y512 HydrophobicContact CG-CE2 4.26Å; Y508-Y512 AromaticContact CG-CG 3.75Å; Y508-Y512 HydrophobicContact CG-CG 3.75Å; Y508-Y512 AromaticContact CZ-CZ 3.84Å; P509-Y512 VanDerWaalsContact O-CB 3.23Å; P509-Y512 WeakPolarHBondContact O-CB 3.46Å; P509-Y512 PolarHBondContact O-N 3.36Å; Y512-C514 PolarHBondContact O-N 3.22Å; Y512-T526 CarbonylContact O-C 3.47Å; Y512-T526 WeakPolarHBondContact O-CA 3.27Å; Y512-C527 PolarHBondContact O-N 2.86Å; Y512-C527 PolarHBondContact O-SG 2.75Å
513	S	86.3	Confident	85.6	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.161	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-73	115.9	-178.3	-155.7	0	0	0	0	110.4	G511 R515 Y516	G511-S513 PolarHBondContact O-N 3.1Å; S513-R515 PolarHBondContact OG-O 2.69Å; S513-Y516 WeakPolarHBondContact OG-CE1 3.28Å
514	C	86.1	Confident	86	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.074	25%	0.248	C	C	.	.	S	Bend	trans	-95.4	-30.7	175.2	48.8	0	0	0	0	112.7	P499 C500 Y512 E525 C534	P499-C514 HydrophobicContact CB-CB 3.95Å; C500-C514 VanDerWaalsContact SG-CB 3.51Å; Y512-C514 PolarHBondContact O-N 3.22Å; C514-E525 PolarHBondContact N-O 3.07Å; C514-C534 HydrophobicContact CB-CB 3.71Å; C514-C534 WeakPolarHBondContact CB-SG 3.27Å; C514-C534 VanDerWaalsContact SG-CA 3.54Å; C514-C534 WeakPolarHBondContact SG-CB 3.37Å; C514-C534 CovalentContact SG-SG 2.04Å; C514-C534 PolarHBondContact SG-SG 3.03Å
515	R	86.6	Confident	86.3	Confident	14 Å²	14	43.7 Å²	43.7	5%	0.053	23%	0.227	C	C	.	.	S	Bend	trans	-134.1	141.9	171.2	-166	-172.8	71.8	85.5	3.3	109.7	S513 D522 I523 E525 N537	S513-R515 PolarHBondContact OG-O 2.69Å; R515-D522 IonicContact CZ-OD1 3.74Å; R515-D522 IonicContact CZ-OD2 2.74Å; R515-D522 IonicContact NH1-OD1 2.98Å; R515-D522 IonicContact NH1-OD2 2.75Å; R515-D522 PolarHBondContact NH1-OD2 2.98Å; R515-D522 IonicContact NH2-OD1 2.85Å; R515-D522 PolarHBondContact NH2-OD1 2.81Å; R515-D522 IonicContact NH2-OD2 2.97Å; R515-D522 PolarHBondContact NH2-OD2 3.3Å; R515-I523 PolarHBondContact NH2-O 3.49Å; R515-E525 HydrophobicContact CB-CB 4.41Å; R515-E525 IonicContact CZ-OE1 3.6Å; R515-E525 IonicContact CZ-OE2 3.46Å; R515-E525 PolarHBondContact N-O 2.86Å; R515-E525 IonicContact NE-OE1 2.6Å; R515-E525 IonicContact NE-OE2 3.31Å; R515-E525 PolarHBondContact NE-OE2 3.28Å; R515-E525 IonicContact NH2-OE1 2.61Å; R515-E525 PolarHBondContact NH2-OE1 3.27Å; R515-E525 IonicContact NH2-OE2 2.71Å; R515-E525 PolarHBondContact NH2-OE2 3.27Å; R515-E525 PolarHBondContact O-N 3.33Å; R515-N537 VanDerWaalsContact CZ-CG 3.42Å; R515-N537 PolarHBondContact NH2-OD1 3.42Å
516	Y	85.1	Confident	86.7	Confident	92 Å²	92	45 Å²	45	36%	0.361	24%	0.235	S	C	.	.			trans	-97.5	144.6	174.5	-67.4	-75.4	0	0	0	111	P246 S513 V518	P246-Y516 HydrophobicContact CB-CE2 3.81Å; P246-Y516 WeakPolarHBondContact CD-OH 3.42Å; P246-Y516 HydrophobicContact CG-CE2 3.47Å; P246-Y516 VanDerWaalsContact CG-CE2 3.47Å; P246-Y516 WeakPolarHBondContact CG-OH 3.42Å; S513-Y516 WeakPolarHBondContact OG-CE1 3.28Å; Y516-V518 PolarHBondContact O-N 3Å
517	A	87.4	Confident	86.8	Confident	23 Å²	23	41.8 Å²	41.8	19%	0.19	22%	0.218	C	C	.	.			trans	-58	122.1	170.6	0	0	0	0	0	110.8	N519 D522	A517-N519 VanDerWaalsContact C-N 3.32Å; A517-D522 VanDerWaalsContact CA-OD2 3.27Å; A517-D522 WeakPolarHBondContact CA-OD2 3.49Å; A517-D522 HydrophobicContact CB-CB 3.98Å
518	V	85.1	Confident	86.8	Confident	32 Å²	32	40.9 Å²	40.9	19%	0.194	22%	0.219	C	C	.	.	S	Bend	trans	-74.2	-25.2	-179	-57.2	0	0	0	0	112.4	V249 Y516 D522	V249-V518 HydrophobicContact CB-CG1 4.43Å; V249-V518 HydrophobicContact CG1-CG1 4.48Å; Y516-V518 PolarHBondContact O-N 3Å; V518-D522 HydrophobicContact CG2-CB 4.16Å; V518-D522 WeakPolarHBondContact CG2-OD2 3.4Å; V518-D522 PolarHBondContact N-OD2 2.87Å
519	N	85.1	Confident	86.6	Confident	18 Å²	18	39.2 Å²	39.2	10%	0.096	22%	0.22	C	C	.	.	S	Bend	trans	-148.9	-176.7	179.2	69.4	44.5	0	0	0	111.7	K441 A517 C521 D522 G556	K441-N519 VanDerWaalsContact C-ND2 3.29Å; K441-N519 PolarHBondContact O-ND2 2.86Å; A517-N519 VanDerWaalsContact C-N 3.32Å; N519-C521 PolarHBondContact O-N 2.88Å; N519-C521 VanDerWaalsContact OD1-CA 3.22Å; N519-C521 WeakPolarHBondContact OD1-CA 3.19Å; N519-C521 VanDerWaalsContact OD1-CB 3.27Å; N519-C521 WeakPolarHBondContact OD1-CB 3.4Å; N519-C521 PolarHBondContact OD1-N 3.25Å; N519-D522 PolarHBondContact O-N 2.93Å; N519-D522 PolarHBondContact OD1-N 2.81Å; N519-G556 PolarHBondContact ND2-O 2.83Å; N519-G556 PolarHBondContact OD1-O 3.36Å
520	D	90.8	Very high	86.4	Confident	65 Å²	65	40.5 Å²	40.5	35%	0.348	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.3	-179.6	-76	-14.3	0	0	0	114.2	K540 C546 Q547	D520-K540 VanDerWaalsContact O-CE 3.31Å; D520-K540 WeakPolarHBondContact O-CE 3.35Å; D520-K540 PolarHBondContact O-NZ 3.07Å; D520-C546 HydrophobicContact CB-CB 3.77Å; D520-Q547 PolarHBondContact OD2-N 2.96Å
521	C	92.6	Very high	86.3	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-10	-179.5	-65.6	0	0	0	0	113.5	N519 H539 K540 C553 G556	N519-C521 PolarHBondContact O-N 2.88Å; N519-C521 VanDerWaalsContact OD1-CA 3.22Å; N519-C521 WeakPolarHBondContact OD1-CA 3.19Å; N519-C521 VanDerWaalsContact OD1-CB 3.27Å; N519-C521 WeakPolarHBondContact OD1-CB 3.4Å; N519-C521 PolarHBondContact OD1-N 3.25Å; C521-H539 WeakPolarHBondContact O-CB 3.5Å; C521-K540 WeakPolarHBondContact O-CB 3.28Å; C521-K540 VanDerWaalsContact O-CG 3.31Å; C521-K540 WeakPolarHBondContact O-CG 3.35Å; C521-K540 PolarHBondContact O-N 2.85Å; C521-C553 WeakPolarHBondContact CA-SG 3.4Å; C521-C553 HydrophobicContact CB-CB 3.61Å; C521-C553 WeakPolarHBondContact CB-SG 3.12Å; C521-C553 WeakPolarHBondContact SG-CA 3.27Å; C521-C553 WeakPolarHBondContact SG-CB 3.42Å; C521-C553 CovalentContact SG-SG 2.03Å; C521-C553 PolarHBondContact SG-SG 3.35Å; C521-G556 WeakPolarHBondContact CB-O 3.41Å
522	D	91.9	Very high	86.1	Confident	10 Å²	10	35 Å²	35	5%	0.053	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-87.5	155.9	175	-167.2	16.3	0	0	0	110.9	R515 A517 V518 N519	R515-D522 IonicContact CZ-OD1 3.74Å; R515-D522 IonicContact CZ-OD2 2.74Å; R515-D522 IonicContact NH1-OD1 2.98Å; R515-D522 IonicContact NH1-OD2 2.75Å; R515-D522 PolarHBondContact NH1-OD2 2.98Å; R515-D522 IonicContact NH2-OD1 2.85Å; R515-D522 PolarHBondContact NH2-OD1 2.81Å; R515-D522 IonicContact NH2-OD2 2.97Å; R515-D522 PolarHBondContact NH2-OD2 3.3Å; A517-D522 VanDerWaalsContact CA-OD2 3.27Å; A517-D522 WeakPolarHBondContact CA-OD2 3.49Å; A517-D522 HydrophobicContact CB-CB 3.98Å; V518-D522 HydrophobicContact CG2-CB 4.16Å; V518-D522 WeakPolarHBondContact CG2-OD2 3.4Å; V518-D522 PolarHBondContact N-OD2 2.87Å; N519-D522 PolarHBondContact O-N 2.93Å; N519-D522 PolarHBondContact OD1-N 2.81Å
523	I	91.6	Very high	85.8	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.077	20%	0.204	C	C	.	.			trans	-106.4	141.8	176.2	-58.7	174.2	0	0	0	107.6	R515 L538 K540 V704 N706 T712	R515-I523 PolarHBondContact NH2-O 3.49Å; I523-L538 VanDerWaalsContact CB-O 3.31Å; I523-L538 WeakPolarHBondContact CB-O 3.41Å; I523-L538 HydrophobicContact CD1-CB 4.46Å; I523-L538 PolarHBondContact N-O 2.79Å; I523-K540 HydrophobicContact CD1-CG 4.39Å; I523-K540 HydrophobicContact CG1-CG 3.9Å; I523-V704 HydrophobicContact CD1-CG1 4.17Å; I523-V704 HydrophobicContact CG1-CG1 4.48Å; I523-N706 HydrophobicContact CD1-CB 3.72Å; I523-T712 HydrophobicContact CG2-CG2 3.97Å
524	S	90.3	Very high	85.7	Confident	59 Å²	59	34.9 Å²	34.9	41%	0.413	20%	0.204	S	C	.	.			trans	-85.6	125.1	173.5	56.4	0	0	0	0	110.1
525	E	88.4	Confident	85.7	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.047	22%	0.216	C	C	.	.			trans	-84.4	139.1	176.9	-67.1	69.9	-157.9	0	0	110.9	C514 R515 C534 P535 P536 L538	C514-E525 PolarHBondContact N-O 3.07Å; R515-E525 HydrophobicContact CB-CB 4.41Å; R515-E525 IonicContact CZ-OE1 3.6Å; R515-E525 IonicContact CZ-OE2 3.46Å; R515-E525 PolarHBondContact N-O 2.86Å; R515-E525 IonicContact NE-OE1 2.6Å; R515-E525 IonicContact NE-OE2 3.31Å; R515-E525 PolarHBondContact NE-OE2 3.28Å; R515-E525 IonicContact NH2-OE1 2.61Å; R515-E525 PolarHBondContact NH2-OE1 3.27Å; R515-E525 IonicContact NH2-OE2 2.71Å; R515-E525 PolarHBondContact NH2-OE2 3.27Å; R515-E525 PolarHBondContact O-N 3.33Å; E525-C534 VanDerWaalsContact CB-SG 3.58Å; E525-P535 HydrophobicContact CG-CB 4.34Å; E525-P536 WeakPolarHBondContact CG-O 3.29Å; E525-L538 PolarHBondContact OE1-N 3.37Å
526	T	88.4	Confident	85.6	Confident	48 Å²	48	40 Å²	40	29%	0.294	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-123.3	142.8	178.3	62.5	0	0	0	0	109.7	Y512 S528 P535	Y512-T526 CarbonylContact O-C 3.47Å; Y512-T526 WeakPolarHBondContact O-CA 3.27Å; T526-S528 PolarHBondContact O-N 3.5Å; T526-P535 VanDerWaalsContact O-CG 3.3Å; T526-P535 WeakPolarHBondContact O-CG 3.44Å
527	C	86.2	Confident	85.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	23%	0.227	C	C	.	.			trans	-56.1	135.9	176.5	-59.3	0	0	0	0	109.9	C500 R510 G511 Y512 G529	C500-C527 WeakPolarHBondContact CA-SG 3.29Å; C500-C527 HydrophobicContact CB-CB 3.73Å; C500-C527 WeakPolarHBondContact CB-SG 3.39Å; C500-C527 WeakPolarHBondContact SG-CA 3.35Å; C500-C527 WeakPolarHBondContact SG-CB 3.4Å; C500-C527 CovalentContact SG-SG 2.03Å; C500-C527 PolarHBondContact SG-SG 3.03Å; R510-C527 VanDerWaalsContact CA-O 3.29Å; R510-C527 WeakPolarHBondContact CA-O 3.47Å; G511-C527 PolarHBondContact N-O 3.41Å; Y512-C527 PolarHBondContact O-N 2.86Å; Y512-C527 PolarHBondContact O-SG 2.75Å; C527-G529 PolarHBondContact O-N 2.77Å
528	S	81.8	Confident	85.9	Confident	36 Å²	36	36.7 Å²	36.7	25%	0.252	22%	0.224	S	C	.	.			trans	-68.2	-24.3	176.6	54.8	0	0	0	0	112.4	R510 T526 D530	R510-S528 WeakPolarHBondContact CB-O 3.39Å; R510-S528 WeakPolarHBondContact CG-O 3.4Å; T526-S528 PolarHBondContact O-N 3.5Å; S528-D530 WeakPolarHBondContact CB-OD1 3.49Å; S528-D530 PolarHBondContact OG-OD1 3.1Å
529	G	81.3	Confident	86.2	Confident	27 Å²	27	36 Å²	36	28%	0.278	22%	0.219	S	C	.	.	S	Bend	trans	91.8	-1.9	-176.6	0	0	0	0	0	114.2	F507 C527	F507-G529 WeakPolarHBondContact CD2-O 3.24Å; C527-G529 PolarHBondContact O-N 2.77Å
530	D	77.6	Confident	86.6	Confident	119 Å²	119	37.5 Å²	37.5	64%	0.636	23%	0.225	S	C	*	.	S	Bend	trans	-131.8	7.5	-177.8	61.4	-0	0	0	0	113.3	F507 S528	F507-D530 VanDerWaalsContact CE2-C 3.46Å; F507-D530 WeakPolarHBondContact CE2-O 3.31Å; F507-D530 VanDerWaalsContact CZ-C 3.5Å; F507-D530 VanDerWaalsContact CZ-O 3.26Å; F507-D530 WeakPolarHBondContact CZ-O 3.27Å; S528-D530 WeakPolarHBondContact CB-OD1 3.49Å; S528-D530 PolarHBondContact OG-OD1 3.1Å
531	S	81.6	Confident	86.7	Confident	44 Å²	44	36.1 Å²	36.1	31%	0.308	22%	0.216	S	C	.	.			trans	-136.4	145.7	176.9	-179.6	0	0	0	0	111.1	C500 F507 Q533	C500-S531 VanDerWaalsContact CB-O 3.24Å; C500-S531 WeakPolarHBondContact CB-O 3.1Å; F507-S531 WeakPolarHBondContact CD1-O 3.49Å; S531-Q533 VanDerWaalsContact C-N 3.34Å; S531-Q533 PolarHBondContact OG-N 3.03Å; S531-Q533 VanDerWaalsContact OG-N 3.16Å
532	G	78.8	Confident	86.7	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	23%	0.227	C	C	.	.	S	Bend	trans	-79.6	-17.6	172	0	0	0	0	0	113	G498 C500 C501 F507	G498-G532 CarbonylContact C-O 3.45Å; G498-G532 VanDerWaalsContact CA-O 3.3Å; G498-G532 WeakPolarHBondContact CA-O 3.32Å; C500-G532 CarbonylContact C-O 3.57Å; C500-G532 VanDerWaalsContact CA-O 3.32Å; C500-G532 WeakPolarHBondContact CA-O 3.38Å; C500-G532 WeakPolarHBondContact CB-O 3.47Å; C500-G532 PolarHBondContact N-O 3.02Å; C501-G532 PolarHBondContact N-O 3.18Å; F507-G532 VanDerWaalsContact CE1-N 3.31Å
533	Q	79	Confident	86.6	Confident	74 Å²	74	38.2 Å²	38.2	35%	0.346	23%	0.23	S	C	.	.	S	Bend	trans	-93.9	150.4	179.2	-59.5	-58.5	-23.9	0	0	111.7	D497 S531	D497-Q533 PolarHBondContact OD2-NE2 3.22Å; D497-Q533 VanDerWaalsContact OD2-NE2 3.09Å; S531-Q533 VanDerWaalsContact C-N 3.34Å; S531-Q533 PolarHBondContact OG-N 3.03Å; S531-Q533 VanDerWaalsContact OG-N 3.16Å
534	C	83.8	Confident	86.7	Confident	25 Å²	25	41 Å²	41	17%	0.169	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73.8	144	172.3	-162.6	0	0	0	0	109.3	P499 C514 E525	P499-C534 HydrophobicContact CB-CB 4.25Å; P499-C534 HydrophobicContact CG-CB 4.16Å; C514-C534 HydrophobicContact CB-CB 3.71Å; C514-C534 WeakPolarHBondContact CB-SG 3.27Å; C514-C534 VanDerWaalsContact SG-CA 3.54Å; C514-C534 WeakPolarHBondContact SG-CB 3.37Å; C514-C534 CovalentContact SG-SG 2.04Å; C514-C534 PolarHBondContact SG-SG 3.03Å; E525-C534 VanDerWaalsContact CB-SG 3.58Å
535	P	86.4	Confident	86.8	Confident	51 Å²	51	42.4 Å²	42.4	33%	0.331	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-56.1	160.4	171.9	-25.5	34.6	0	0	0	112.8	E525 T526	E525-P535 HydrophobicContact CG-CB 4.34Å; T526-P535 VanDerWaalsContact O-CG 3.3Å; T526-P535 WeakPolarHBondContact O-CG 3.44Å
536	P	85.4	Confident	87	Confident	81 Å²	81	42.1 Å²	42.1	53%	0.526	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-52.2	142.8	176.3	-25.9	34.6	0	0	0	112.7	E525 L538	E525-P536 WeakPolarHBondContact CG-O 3.29Å; P536-L538 PolarHBondContact O-N 3.5Å
537	N	87.3	Confident	86.9	Confident	20 Å²	20	41.6 Å²	41.6	11%	0.107	23%	0.233	C	C	.	.			trans	-70.2	110.1	177.2	178.6	-7	0	0	0	110	F448 R515	F448-N537 HydrophobicContact CB-CB 3.83Å; F448-N537 HydrophobicContact CD2-CB 3.89Å; F448-N537 WeakPolarHBondContact CD2-ND2 3.3Å; F448-N537 VanDerWaalsContact CE2-ND2 3.25Å; F448-N537 WeakPolarHBondContact CE2-ND2 3.48Å; F448-N537 HydrophobicContact CG-CB 3.96Å; R515-N537 VanDerWaalsContact CZ-CG 3.42Å; R515-N537 PolarHBondContact NH2-OD1 3.42Å
538	L	91.4	Very high	86.8	Confident	26 Å²	26	47 Å²	47	14%	0.136	27%	0.266	C	S	.	.			trans	-116.6	147.3	-177.3	-68.2	170.7	0	0	0	110.1	I523 E525 P536 N706 N707 E708	I523-L538 VanDerWaalsContact CB-O 3.31Å; I523-L538 WeakPolarHBondContact CB-O 3.41Å; I523-L538 HydrophobicContact CD1-CB 4.46Å; I523-L538 PolarHBondContact N-O 2.79Å; E525-L538 PolarHBondContact OE1-N 3.37Å; P536-L538 PolarHBondContact O-N 3.5Å; L538-N706 HydrophobicContact CB-CB 4.23Å; L538-N706 HydrophobicContact CD1-CB 4.46Å; L538-N707 WeakPolarHBondContact CD2-OD1 3.48Å; L538-E708 HydrophobicContact CD2-CG 3.86Å
539	H	91.7	Very high	86.7	Confident	18 Å²	18	50.9 Å²	50.9	8%	0.083	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-120.3	164.1	174.4	66.3	80.8	0	0	0	110.9	C521 G556 N706 N707	C521-H539 WeakPolarHBondContact O-CB 3.5Å; H539-G556 PolarHBondContact CE1-N 3.15Å; H539-G556 VanDerWaalsContact CE1-N 3.33Å; H539-G556 WeakPolarHBondContact ND1-CA 3.38Å; H539-G556 PolarHBondContact ND1-N 3.26Å; H539-N706 CarbonylContact O-C 3.6Å; H539-N706 VanDerWaalsContact O-CA 3.23Å; H539-N706 WeakPolarHBondContact O-CA 3.18Å; H539-N707 WeakPolarHBondContact CE1-CB 3.42Å; H539-N707 PolarHBondContact N-OD1 3.32Å; H539-N707 PolarHBondContact O-N 2.97Å; H539-N707 PolarHBondContact O-OD1 2.92Å
540	K	93.6	Very high	86.9	Confident	50 Å²	50	56.2 Å²	56.2	22%	0.217	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-61.1	144.7	177.1	-60.6	-175.1	-175.6	170.3	0	109.7	D520 C521 I523 Y544 V704	D520-K540 VanDerWaalsContact O-CE 3.31Å; D520-K540 WeakPolarHBondContact O-CE 3.35Å; D520-K540 PolarHBondContact O-NZ 3.07Å; C521-K540 WeakPolarHBondContact O-CB 3.28Å; C521-K540 VanDerWaalsContact O-CG 3.31Å; C521-K540 WeakPolarHBondContact O-CG 3.35Å; C521-K540 PolarHBondContact O-N 2.85Å; I523-K540 HydrophobicContact CD1-CG 4.39Å; I523-K540 HydrophobicContact CG1-CG 3.9Å; K540-Y544 HydrophobicContact CB-CD2 4.1Å; K540-Y544 HydrophobicContact CB-CG 4.03Å; K540-Y544 HydrophobicContact CD-CD1 4.02Å; K540-Y544 HydrophobicContact CD-CG 4.21Å; K540-V704 HydrophobicContact CD-CG1 4.22Å; K540-V704 HydrophobicContact CG-CG1 3.81Å
541	Q	92.6	Very high	87.7	Confident	36 Å²	36	50.6 Å²	50.6	17%	0.168	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-56.7	152	173.2	-168	175.7	38.9	0	0	111.1	G543 Y544 S688 C705	Q541-G543 PolarHBondContact O-N 2.83Å; Q541-Y544 HydrophobicContact CB-CD2 4.27Å; Q541-Y544 HydrophobicContact CB-CE2 4.14Å; Q541-Y544 VanDerWaalsContact O-CD2 3.24Å; Q541-Y544 WeakPolarHBondContact O-CD2 3.45Å; Q541-S688 PolarHBondContact NE2-O 2.78Å; Q541-C705 PolarHBondContact N-O 3Å; Q541-C705 PolarHBondContact OE1-SG 3.49Å
542	D	91.9	Very high	88.2	Confident	44 Å²	44	48.8 Å²	48.8	24%	0.235	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.1	176	-66.1	-11.9	0	0	0	111.8	C553 Y554 G555 M687	D542-C553 CarbonylContact C-O 3.57Å; D542-C553 WeakPolarHBondContact CA-O 3.46Å; D542-Y554 HydrophobicContact CB-CD2 4.03Å; D542-Y554 VanDerWaalsContact OD1-CA 3.29Å; D542-Y554 WeakPolarHBondContact OD1-CA 3.4Å; D542-Y554 WeakPolarHBondContact OD2-CD2 3.23Å; D542-G555 PolarHBondContact OD1-N 2.94Å; D542-M687 HydrophobicContact CB-SD 3.91Å
543	G	90.6	Very high	88.9	Confident	10 Å²	10	48.4 Å²	48.4	10%	0.103	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	-14.5	179.6	0	0	0	0	0	115.4	Q541 R552 C553	Q541-G543 PolarHBondContact O-N 2.83Å; G543-R552 PolarHBondContact O-NH1 3.25Å; G543-C553 PolarHBondContact N-O 2.98Å
544	Y	92	Very high	89.5	Confident	72 Å²	72	48.1 Å²	48.1	28%	0.282	25%	0.249	S	C	.	.			trans	-56.2	146.3	172.6	-92.1	-99.8	0	0	0	111.7	K540 Q541 R552 C553 V704 C705	K540-Y544 HydrophobicContact CB-CD2 4.1Å; K540-Y544 HydrophobicContact CB-CG 4.03Å; K540-Y544 HydrophobicContact CD-CD1 4.02Å; K540-Y544 HydrophobicContact CD-CG 4.21Å; Q541-Y544 HydrophobicContact CB-CD2 4.27Å; Q541-Y544 HydrophobicContact CB-CE2 4.14Å; Q541-Y544 VanDerWaalsContact O-CD2 3.24Å; Q541-Y544 WeakPolarHBondContact O-CD2 3.45Å; Y544-R552 CarbonylContact O-C 2.97Å; Y544-R552 WeakPolarHBondContact O-CA 3.3Å; Y544-C553 PolarHBondContact O-N 3.4Å; Y544-V704 HydrophobicContact CE1-CG1 4.09Å; Y544-C705 HydrophobicContact CE2-CB 4.12Å; Y544-C705 WeakPolarHBondContact OH-CB 3.11Å; Y544-C705 PolarHBondContact OH-N 2.75Å
545	H	92.5	Very high	89.7	Confident	89 Å²	89	48.8 Å²	48.8	41%	0.412	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.6	177.9	-73.2	-95	0	0	0	111.8	D549 R552	H545-D549 WeakPolarHBondContact CB-OD1 3.4Å; H545-D549 IonicContact CG-OD1 3.15Å; H545-D549 IonicContact ND1-OD1 2.69Å; H545-D549 PolarHBondContact ND1-OD1 2.88Å; H545-R552 PolarHBondContact CE1-NH1 2.86Å; H545-R552 PolarHBondContact CE1-NH2 3.09Å; H545-R552 PolarHBondContact NE2-NH1 2.99Å
546	C	92.7	Very high	89.8	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.6	176.6	63.2	0	0	0	0	111.5	D520 V548 D549 Q550 G551 R552 C558	D520-C546 HydrophobicContact CB-CB 3.77Å; C546-V548 PolarHBondContact O-N 3.34Å; C546-D549 PolarHBondContact O-N 3.28Å; C546-Q550 PolarHBondContact O-N 2.03Å; C546-G551 PolarHBondContact N-O 3.05Å; C546-G551 VanDerWaalsContact N-O 3.13Å; C546-G551 PolarHBondContact O-N 2.84Å; C546-R552 VanDerWaalsContact SG-C 3.56Å; C546-R552 PolarHBondContact SG-N 2.94Å; C546-R552 VanDerWaalsContact SG-N 3.41Å; C546-C558 HydrophobicContact CB-CB 3.78Å; C546-C558 WeakPolarHBondContact CB-SG 3.36Å; C546-C558 WeakPolarHBondContact SG-CA 3.49Å; C546-C558 WeakPolarHBondContact SG-CB 3.16Å; C546-C558 CovalentContact SG-SG 2.03Å; C546-C558 PolarHBondContact SG-SG 3.29Å
547	Q	86.4	Confident	90	Very high	38 Å²	38	44.6 Å²	44.6	18%	0.178	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.3	-177.4	-69.1	-175	-13.5	0	0	113.9	D520 Q550 N563	D520-Q547 PolarHBondContact OD2-N 2.96Å; Q547-Q550 HydrophobicContact CB-CB 4.42Å; Q547-Q550 WeakPolarHBondContact O-CB 3.44Å; Q547-Q550 WeakPolarHBondContact O-CG 3.45Å; Q547-Q550 PolarHBondContact O-N 3.49Å; Q547-N563 VanDerWaalsContact CD-ND2 3.29Å; Q547-N563 PolarHBondContact NE2-ND2 3.38Å; Q547-N563 PolarHBondContact OE1-ND2 3.2Å
548	V	84.3	Confident	90.2	Very high	114 Å²	114	44.7 Å²	44.7	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	56.1	179.5	-163.2	0	0	0	0	111.2	C546 Q550	C546-V548 PolarHBondContact O-N 3.34Å; V548-Q550 PolarHBondContact O-N 2.82Å; V548-Q550 VanDerWaalsContact O-N 3.11Å
549	D	80.4	Confident	90.3	Very high	117 Å²	117	44.9 Å²	44.9	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	12.5	178.8	-55.7	-40.4	0	0	0	116.3	H545 C546	H545-D549 WeakPolarHBondContact CB-OD1 3.4Å; H545-D549 IonicContact CG-OD1 3.15Å; H545-D549 IonicContact ND1-OD1 2.69Å; H545-D549 PolarHBondContact ND1-OD1 2.88Å; C546-D549 PolarHBondContact O-N 3.28Å
550	Q	85.9	Confident	90.4	Very high	140 Å²	140	44.6 Å²	44.6	65%	0.654	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-22.3	175.8	-63.2	-174.2	-3.2	0	0	113.1	C546 Q547 V548 P667	C546-Q550 PolarHBondContact O-N 2.03Å; Q547-Q550 HydrophobicContact CB-CB 4.42Å; Q547-Q550 WeakPolarHBondContact O-CB 3.44Å; Q547-Q550 WeakPolarHBondContact O-CG 3.45Å; Q547-Q550 PolarHBondContact O-N 3.49Å; V548-Q550 PolarHBondContact O-N 2.82Å; V548-Q550 VanDerWaalsContact O-N 3.11Å; Q550-P667 WeakPolarHBondContact O-CG 3.41Å
551	G	92.8	Very high	90.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	175.3	-177.6	0	0	0	0	0	114	C546 K559 T560	C546-G551 PolarHBondContact N-O 3.05Å; C546-G551 VanDerWaalsContact N-O 3.13Å; C546-G551 PolarHBondContact O-N 2.84Å; G551-K559 VanDerWaalsContact CA-O 3.27Å; G551-K559 WeakPolarHBondContact CA-O 3.22Å; G551-T560 VanDerWaalsContact CA-CG2 3.46Å
552	R	93.6	Very high	90.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.7	169.5	-68.6	-174.5	-177.9	-64.9	-8.9	111.1	G543 Y544 H545 C546 K559 G665 P667 S671 M672 I682	G543-R552 PolarHBondContact O-NH1 3.25Å; Y544-R552 CarbonylContact O-C 2.97Å; Y544-R552 WeakPolarHBondContact O-CA 3.3Å; H545-R552 PolarHBondContact CE1-NH1 2.86Å; H545-R552 PolarHBondContact CE1-NH2 3.09Å; H545-R552 PolarHBondContact NE2-NH1 2.99Å; C546-R552 VanDerWaalsContact SG-C 3.56Å; C546-R552 PolarHBondContact SG-N 2.94Å; C546-R552 VanDerWaalsContact SG-N 3.41Å; R552-K559 PolarHBondContact N-O 2.98Å; R552-K559 PolarHBondContact O-N 2.82Å; R552-G665 WeakPolarHBondContact CB-O 3.25Å; R552-P667 HydrophobicContact CG-CB 4.07Å; R552-P667 HydrophobicContact CG-CG 4.36Å; R552-S671 VanDerWaalsContact NH2-N 3.15Å; R552-M672 PolarHBondContact NE-O 3.17Å; R552-M672 VanDerWaalsContact NE-O 3.1Å; R552-I682 VanDerWaalsContact CZ-CD1 3.47Å
553	C	93.2	Very high	90.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.3	171.6	-57.8	0	0	0	0	109.8	C521 D542 G543 Y544 E557	C521-C553 WeakPolarHBondContact CA-SG 3.4Å; C521-C553 HydrophobicContact CB-CB 3.61Å; C521-C553 WeakPolarHBondContact CB-SG 3.12Å; C521-C553 WeakPolarHBondContact SG-CA 3.27Å; C521-C553 WeakPolarHBondContact SG-CB 3.42Å; C521-C553 CovalentContact SG-SG 2.03Å; C521-C553 PolarHBondContact SG-SG 3.35Å; D542-C553 CarbonylContact C-O 3.57Å; D542-C553 WeakPolarHBondContact CA-O 3.46Å; G543-C553 PolarHBondContact N-O 2.98Å; Y544-C553 PolarHBondContact O-N 3.4Å; C553-E557 CarbonylContact C-O 3.58Å; C553-E557 VanDerWaalsContact CA-O 3.32Å; C553-E557 WeakPolarHBondContact CA-O 3.46Å
554	Y	91.3	Very high	90.7	Very high	68 Å²	68	43.1 Å²	43.1	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	116.1	173.9	-170.2	-104.1	0	0	0	108.9	D542 G556 E557 D664 M673	D542-Y554 HydrophobicContact CB-CD2 4.03Å; D542-Y554 VanDerWaalsContact OD1-CA 3.29Å; D542-Y554 WeakPolarHBondContact OD1-CA 3.4Å; D542-Y554 WeakPolarHBondContact OD2-CD2 3.23Å; Y554-G556 VanDerWaalsContact C-N 3.31Å; Y554-G556 PolarHBondContact O-N 3.44Å; Y554-E557 PolarHBondContact N-O 3.35Å; Y554-E557 PolarHBondContact O-N 3.26Å; Y554-D664 HydrophobicContact CE1-CB 3.98Å; Y554-M673 HydrophobicContact CD2-CE 3.59Å; Y554-M673 HydrophobicContact CE2-CE 3.58Å
555	G	87.5	Confident	90.8	Very high	40 Å²	40	39.7 Å²	39.7	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	37.7	-175.1	0	0	0	0	0	113.4	D542 E557	D542-G555 PolarHBondContact OD1-N 2.94Å; G555-E557 PolarHBondContact O-N 3.17Å
556	G	88.6	Confident	90.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-5.8	-179.3	0	0	0	0	0	115.1	N519 C521 H539 Y554	N519-G556 PolarHBondContact ND2-O 2.83Å; N519-G556 PolarHBondContact OD1-O 3.36Å; C521-G556 WeakPolarHBondContact CB-O 3.41Å; H539-G556 PolarHBondContact CE1-N 3.15Å; H539-G556 VanDerWaalsContact CE1-N 3.33Å; H539-G556 WeakPolarHBondContact ND1-CA 3.38Å; H539-G556 PolarHBondContact ND1-N 3.26Å; Y554-G556 VanDerWaalsContact C-N 3.31Å; Y554-G556 PolarHBondContact O-N 3.44Å
557	E	89.5	Confident	90.5	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.6	178.8	-50.4	-164.5	166.5	0	0	112.9	K441 C553 Y554 G555 K559	K441-E557 HydrophobicContact CB-CG 4.44Å; K441-E557 WeakPolarHBondContact O-CA 3.23Å; K441-E557 WeakPolarHBondContact O-CG 3.3Å; C553-E557 CarbonylContact C-O 3.58Å; C553-E557 VanDerWaalsContact CA-O 3.32Å; C553-E557 WeakPolarHBondContact CA-O 3.46Å; Y554-E557 PolarHBondContact N-O 3.35Å; Y554-E557 PolarHBondContact O-N 3.26Å; G555-E557 PolarHBondContact O-N 3.17Å; E557-K559 HydrophobicContact CB-CD 4.39Å; E557-K559 PolarHBondContact O-N 3.47Å; E557-K559 IonicContact OE2-NZ 3.97Å; E557-K559 PolarHBondContact OE2-NZ 2.85Å
558	C	92.2	Very high	90.7	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	100.3	172.7	-178.1	0	0	0	0	112	C546	C546-C558 HydrophobicContact CB-CB 3.78Å; C546-C558 WeakPolarHBondContact CB-SG 3.36Å; C546-C558 WeakPolarHBondContact SG-CA 3.49Å; C546-C558 WeakPolarHBondContact SG-CB 3.16Å; C546-C558 CovalentContact SG-SG 2.03Å; C546-C558 PolarHBondContact SG-SG 3.29Å
559	K	93.7	Very high	91	Very high	29 Å²	29	33.2 Å²	33.2	13%	0.126	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.3	-177.7	-59.4	-57.4	-168.3	179	0	112.2	G551 R552 E557 E663 P667	G551-K559 VanDerWaalsContact CA-O 3.27Å; G551-K559 WeakPolarHBondContact CA-O 3.22Å; R552-K559 PolarHBondContact N-O 2.98Å; R552-K559 PolarHBondContact O-N 2.82Å; E557-K559 HydrophobicContact CB-CD 4.39Å; E557-K559 PolarHBondContact O-N 3.47Å; E557-K559 IonicContact OE2-NZ 3.97Å; E557-K559 PolarHBondContact OE2-NZ 2.85Å; K559-E663 WeakPolarHBondContact CD-OE2 3.01Å; K559-E663 WeakPolarHBondContact CE-OE2 3.44Å; K559-E663 IonicContact NZ-OE2 3.53Å; K559-E663 PolarHBondContact NZ-OE2 3.24Å; K559-P667 WeakPolarHBondContact O-CD 3.03Å
560	T	94.1	Very high	91.4	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.08	15%	0.151	C	C	.	.			trans	-142.8	147.8	169.4	76.9	0	0	0	0	110.6	G551 G562 N563 Q564	G551-T560 VanDerWaalsContact CA-CG2 3.46Å; T560-G562 PolarHBondContact O-N 2.75Å; T560-N563 PolarHBondContact O-N 3.27Å; T560-N563 VanDerWaalsContact OG1-CB 3.27Å; T560-N563 WeakPolarHBondContact OG1-CB 3.12Å; T560-N563 PolarHBondContact OG1-N 2.92Å; T560-N563 PolarHBondContact OG1-ND2 3.35Å; T560-Q564 WeakPolarHBondContact O-CB 3.46Å; T560-Q564 PolarHBondContact O-N 3.09Å
561	R	95	Very high	91.4	Very high	47 Å²	47	24.6 Å²	24.6	18%	0.177	14%	0.138	C	C	.	.	H	α-helix	trans	-57.2	-37.6	172	-67.8	173.3	-77.9	-156.1	-11.2	112.3	Q564 C565 F610 L614 V662 T666	R561-Q564 PolarHBondContact O-N 3.14Å; R561-C565 PolarHBondContact O-N 3.14Å; R561-C565 PolarHBondContact O-SG 3.3Å; R561-F610 VanDerWaalsContact NH1-CB 3.35Å; R561-F610 VanDerWaalsContact NH1-CG 3.31Å; R561-L614 HydrophobicContact CB-CD1 4.05Å; R561-L614 HydrophobicContact CG-CD1 4.17Å; R561-V662 HydrophobicContact CG-CG1 4.13Å; R561-V662 HydrophobicContact CG-CG2 4.16Å; R561-T666 HydrophobicContact CG-CG2 3.78Å
562	G	93.4	Very high	91.2	Very high	21 Å²	21	33.2 Å²	33.2	22%	0.216	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-43.4	179.8	0	0	0	0	0	112.9	T560 C565 K566	T560-G562 PolarHBondContact O-N 2.75Å; G562-C565 PolarHBondContact O-N 2.81Å; G562-K566 WeakPolarHBondContact O-CG 3.26Å; G562-K566 PolarHBondContact O-N 3.29Å
563	N	90.9	Very high	91.2	Very high	35 Å²	35	33 Å²	33	19%	0.187	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-37.4	176	-63.7	-23.3	0	0	0	111	Q547 T560 C565 K566 Y567	Q547-N563 VanDerWaalsContact CD-ND2 3.29Å; Q547-N563 PolarHBondContact NE2-ND2 3.38Å; Q547-N563 PolarHBondContact OE1-ND2 3.2Å; T560-N563 PolarHBondContact O-N 3.27Å; T560-N563 VanDerWaalsContact OG1-CB 3.27Å; T560-N563 WeakPolarHBondContact OG1-CB 3.12Å; T560-N563 PolarHBondContact OG1-N 2.92Å; T560-N563 PolarHBondContact OG1-ND2 3.35Å; N563-C565 PolarHBondContact O-N 3.01Å; N563-K566 PolarHBondContact O-N 2.89Å; N563-Y567 VanDerWaalsContact O-CB 3.32Å; N563-Y567 WeakPolarHBondContact O-CB 3.47Å; N563-Y567 PolarHBondContact O-N 2.69Å
564	Q	94.2	Very high	91.1	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-44.4	174.1	-164.4	-176.3	-2.8	0	0	111.4	T560 R561 K566 Y567 L568 L614 L659 Y661 E663	T560-Q564 WeakPolarHBondContact O-CB 3.46Å; T560-Q564 PolarHBondContact O-N 3.09Å; R561-Q564 PolarHBondContact O-N 3.14Å; Q564-K566 PolarHBondContact O-N 3.42Å; Q564-Y567 WeakPolarHBondContact O-CB 3.29Å; Q564-Y567 PolarHBondContact O-N 2.87Å; Q564-L568 HydrophobicContact CG-CD1 4.18Å; Q564-L568 WeakPolarHBondContact O-CG 3.31Å; Q564-L568 PolarHBondContact O-N 2.92Å; Q564-L614 HydrophobicContact CB-CD1 4.46Å; Q564-L614 HydrophobicContact CB-CD2 4.19Å; Q564-L614 HydrophobicContact CG-CD2 3.74Å; Q564-L659 PolarHBondContact NE2-O 2.96Å; Q564-Y661 PolarHBondContact NE2-O 2.9Å; Q564-E663 HydrophobicContact CG-CG 4.42Å; Q564-E663 VanDerWaalsContact OE1-N 3.13Å
565	C	94.4	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-42.8	173.4	-71.1	0	0	0	0	112.6	R561 G562 N563 Y567 L568 W569 A573 C616	R561-C565 PolarHBondContact O-N 3.14Å; R561-C565 PolarHBondContact O-SG 3.3Å; G562-C565 PolarHBondContact O-N 2.81Å; N563-C565 PolarHBondContact O-N 3.01Å; C565-Y567 VanDerWaalsContact C-N 3.33Å; C565-L568 PolarHBondContact O-N 3.18Å; C565-W569 WeakPolarHBondContact O-CB 3.38Å; C565-W569 VanDerWaalsContact O-CD1 3.31Å; C565-W569 PolarHBondContact O-N 3.22Å; C565-A573 HydrophobicContact CB-CB 4.47Å; C565-C616 VanDerWaalsContact CA-SG 3.55Å; C565-C616 HydrophobicContact CB-CB 3.77Å; C565-C616 WeakPolarHBondContact CB-SG 3.42Å; C565-C616 WeakPolarHBondContact SG-CA 3.46Å; C565-C616 WeakPolarHBondContact SG-CB 3.4Å; C565-C616 CovalentContact SG-SG 2.03Å; C565-C616 PolarHBondContact SG-SG 3.49Å
566	K	91.6	Very high	91.5	Very high	48 Å²	48	31.1 Å²	31.1	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-39	176.4	-72.7	172.3	-178.4	173.5	0	112.4	G562 N563 Q564 L568 G570 A573	G562-K566 WeakPolarHBondContact O-CG 3.26Å; G562-K566 PolarHBondContact O-N 3.29Å; N563-K566 PolarHBondContact O-N 2.89Å; Q564-K566 PolarHBondContact O-N 3.42Å; K566-L568 VanDerWaalsContact C-N 3.34Å; K566-G570 WeakPolarHBondContact CA-O 3.28Å; K566-G570 CarbonylContact O-C 3.56Å; K566-G570 VanDerWaalsContact O-C 3.27Å; K566-G570 WeakPolarHBondContact O-CA 3.38Å; K566-G570 PolarHBondContact O-N 2.99Å; K566-A573 WeakPolarHBondContact CG-O 3.32Å
567	Y	88.1	Confident	91.8	Very high	38 Å²	38	35.7 Å²	35.7	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-43.4	178.1	179.5	-125.5	0	0	0	111.1	N563 Q564 C565 I625 L659	N563-Y567 VanDerWaalsContact O-CB 3.32Å; N563-Y567 WeakPolarHBondContact O-CB 3.47Å; N563-Y567 PolarHBondContact O-N 2.69Å; Q564-Y567 WeakPolarHBondContact O-CB 3.29Å; Q564-Y567 PolarHBondContact O-N 2.87Å; C565-Y567 VanDerWaalsContact C-N 3.33Å; Y567-I625 HydrophobicContact CD1-CG2 4.36Å; Y567-I625 HydrophobicContact CE1-CD1 4Å; Y567-I625 HydrophobicContact CE1-CG2 4.08Å; Y567-I625 HydrophobicContact CE2-CD1 4.39Å; Y567-I625 WeakPolarHBondContact OH-CD1 3.31Å; Y567-L659 HydrophobicContact CE1-CD1 4.42Å
568	L	90.4	Very high	91.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-75.3	-42.8	-179.7	-73.7	165.3	0	0	0	114.2	Q564 C565 K566 L614 P623 R624 I625 V651 L659	Q564-L568 HydrophobicContact CG-CD1 4.18Å; Q564-L568 WeakPolarHBondContact O-CG 3.31Å; Q564-L568 PolarHBondContact O-N 2.92Å; C565-L568 PolarHBondContact O-N 3.18Å; K566-L568 VanDerWaalsContact C-N 3.34Å; L568-L614 HydrophobicContact CD1-CD2 3.5Å; L568-P623 CarbonylContact O-C 3.48Å; L568-P623 VanDerWaalsContact O-CA 3.24Å; L568-P623 WeakPolarHBondContact O-CA 3.41Å; L568-R624 PolarHBondContact O-N 3.44Å; L568-I625 HydrophobicContact CD2-CG2 3.93Å; L568-V651 HydrophobicContact CD2-CB 3.92Å; L568-V651 HydrophobicContact CD2-CG1 3.82Å; L568-V651 HydrophobicContact CD2-CG2 4.12Å; L568-L659 HydrophobicContact CD1-CB 4.11Å; L568-L659 VanDerWaalsContact CD1-O 3.28Å; L568-L659 WeakPolarHBondContact CD1-O 2.93Å; L568-L659 HydrophobicContact CD2-CB 3.55Å; L568-L659 HydrophobicContact CD2-CD1 3.64Å; L568-L659 HydrophobicContact CD2-CG 4.25Å; L568-L659 HydrophobicContact CG-CB 4.34Å
569	W	90.1	Very high	92	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-116.5	-0.8	-165.8	-54.3	108.1	0	0	0	113.8	C565 A573 I619 P623 M628 I632 V651	C565-W569 WeakPolarHBondContact O-CB 3.38Å; C565-W569 VanDerWaalsContact O-CD1 3.31Å; C565-W569 PolarHBondContact O-N 3.22Å; W569-A573 HydrophobicContact CB-CB 3.61Å; W569-A573 HydrophobicContact CG-CB 4.5Å; W569-I619 HydrophobicContact CB-CB 4.38Å; W569-I619 HydrophobicContact CB-CG2 4.29Å; W569-I619 HydrophobicContact CD2-CB 4.03Å; W569-I619 HydrophobicContact CD2-CG2 4.07Å; W569-I619 HydrophobicContact CE3-CB 4.37Å; W569-I619 HydrophobicContact CG-CB 4.03Å; W569-I619 HydrophobicContact CG-CG2 3.75Å; W569-P623 HydrophobicContact CE3-CB 4.17Å; W569-P623 HydrophobicContact CZ3-CB 3.99Å; W569-M628 HydrophobicContact CH2-CE 4.02Å; W569-M628 HydrophobicContact CH2-SD 3.42Å; W569-M628 WeakPolarHBondContact CH2-SD 3.48Å; W569-M628 HydrophobicContact CZ2-SD 4.43Å; W569-M628 HydrophobicContact CZ3-SD 3.95Å; W569-I632 HydrophobicContact CH2-CD1 4.22Å; W569-I632 HydrophobicContact CH2-CG1 4.08Å; W569-I632 HydrophobicContact CZ3-CD1 4.02Å; W569-I632 HydrophobicContact CZ3-CG1 4.36Å; W569-V651 HydrophobicContact CH2-CG2 4.01Å; W569-V651 HydrophobicContact CZ2-CG2 3.96Å
570	G	88.2	Confident	92.1	Very high	19 Å²	19	40 Å²	40	20%	0.196	21%	0.212	C	C	.	.			trans	97.4	170.8	-178.9	0	0	0	0	0	114	K566 K572 A573	K566-G570 WeakPolarHBondContact CA-O 3.28Å; K566-G570 CarbonylContact O-C 3.56Å; K566-G570 VanDerWaalsContact O-C 3.27Å; K566-G570 WeakPolarHBondContact O-CA 3.38Å; K566-G570 PolarHBondContact O-N 2.99Å; G570-K572 PolarHBondContact O-N 3.28Å; G570-A573 WeakPolarHBondContact O-CB 3.4Å; G570-A573 PolarHBondContact O-N 3.32Å
571	S	86.9	Confident	92.2	Very high	56 Å²	56	39.4 Å²	39.4	39%	0.392	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.1	-170.1	59	0	0	0	0	115.2
572	K	89.3	Confident	92.2	Very high	181 Å²	181	41.9 Å²	41.9	79%	0.787	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.1	178.9	-64.4	-176.6	-177.8	175.9	0	113.9	G570	G570-K572 PolarHBondContact O-N 3.28Å
573	A	92.4	Very high	92.2	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	23%	0.231	C	C	.	.			trans	-75.1	153.4	179	0	0	0	0	0	111.2	C565 K566 W569 G570 S617	C565-A573 HydrophobicContact CB-CB 4.47Å; K566-A573 WeakPolarHBondContact CG-O 3.32Å; W569-A573 HydrophobicContact CB-CB 3.61Å; W569-A573 HydrophobicContact CG-CB 4.5Å; G570-A573 WeakPolarHBondContact O-CB 3.4Å; G570-A573 PolarHBondContact O-N 3.32Å; A573-S617 WeakPolarHBondContact CA-O 3.23Å
574	G	92.3	Very high	92.4	Very high	19 Å²	19	43.8 Å²	43.8	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.2	176.9	0	0	0	0	0	111.6	C616 S617	G574-C616 CarbonylContact O-C 3.59Å; G574-C616 VanDerWaalsContact O-CA 3.29Å; G574-C616 WeakPolarHBondContact O-CA 3.34Å; G574-S617 PolarHBondContact N-O 3.15Å; G574-S617 VanDerWaalsContact N-O 3.11Å; G574-S617 PolarHBondContact O-N 3.21Å; G574-S617 PolarHBondContact O-OG 2.97Å; G574-S617 VanDerWaalsContact O-OG 3.08Å
575	G	92.7	Very high	92.5	Very high	33 Å²	33	43.5 Å²	43.5	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.1	172.8	0	0	0	0	0	110.8
576	S	94.4	Very high	92.6	Very high	16 Å²	16	45.9 Å²	45.9	11%	0.112	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-69.1	163.3	175.6	-67.4	0	0	0	0	112.9	L615 C616 D645	S576-L615 WeakPolarHBondContact CB-O 3.34Å; S576-L615 PolarHBondContact N-O 3.1Å; S576-L615 VanDerWaalsContact OG-C 3.22Å; S576-L615 PolarHBondContact OG-O 2.71Å; S576-C616 VanDerWaalsContact OG-CA 3.31Å; S576-C616 WeakPolarHBondContact OG-CA 3.45Å; S576-C616 PolarHBondContact OG-N 2.99Å; S576-C616 VanDerWaalsContact OG-N 3.14Å; S576-C616 PolarHBondContact OG-O 3.48Å; S576-D645 WeakPolarHBondContact CB-O 3.39Å; S576-D645 PolarHBondContact OG-O 3.36Å
577	E	93.3	Very high	92.7	Very high	96 Å²	96	47 Å²	47	45%	0.449	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-64.4	153.8	176.2	-63	-174.2	-156.2	0	0	112.4	F579 C580 V644	E577-F579 PolarHBondContact O-N 2.71Å; E577-F579 VanDerWaalsContact O-N 3.14Å; E577-C580 VanDerWaalsContact O-CB 3.27Å; E577-C580 WeakPolarHBondContact O-CB 3.21Å; E577-C580 PolarHBondContact O-N 3.24Å; E577-V644 HydrophobicContact CB-CG1 3.99Å; E577-V644 HydrophobicContact CG-CG1 3.92Å; E577-V644 WeakPolarHBondContact OE1-CG2 3.07Å
578	K	93.5	Very high	93	Very high	136 Å²	136	45.8 Å²	45.8	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-54.3	-36.5	-179.9	-68.4	-176	-179.8	-178.9	0	113	C580 Y581 E582 F610	K578-C580 PolarHBondContact O-N 2.47Å; K578-Y581 PolarHBondContact O-N 3.47Å; K578-Y581 VanDerWaalsContact O-N 3.1Å; K578-E582 PolarHBondContact O-N 3.18Å; K578-E582 VanDerWaalsContact O-N 3.11Å; K578-F610 HydrophobicContact CB-CE1 3.9Å; K578-F610 HydrophobicContact CB-CZ 4Å; K578-F610 HydrophobicContact CD-CZ 4.19Å; K578-F610 HydrophobicContact CG-CE1 4.02Å; K578-F610 HydrophobicContact CG-CZ 4.09Å
579	F	93.6	Very high	93.1	Very high	51 Å²	51	48 Å²	48	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-53.5	-37.9	176.8	171.2	-100.9	0	0	0	112.8	E577 Y581 E582 K583 F637 H639	E577-F579 PolarHBondContact O-N 2.71Å; E577-F579 VanDerWaalsContact O-N 3.14Å; F579-Y581 VanDerWaalsContact C-N 3.34Å; F579-Y581 PolarHBondContact O-N 3.07Å; F579-E582 PolarHBondContact O-N 2.95Å; F579-K583 HydrophobicContact CZ-CB 4.38Å; F579-K583 HydrophobicContact CZ-CD 4.46Å; F579-K583 HydrophobicContact CZ-CG 4.44Å; F579-K583 VanDerWaalsContact O-CB 3.23Å; F579-K583 WeakPolarHBondContact O-CB 3.17Å; F579-K583 PolarHBondContact O-N 3.47Å; F579-F637 HydrophobicContact CE1-CB 3.93Å; F579-F637 HydrophobicContact CE1-CD2 4.26Å; F579-F637 HydrophobicContact CE1-CG 4.14Å; F579-H639 HydrophobicContact CD1-CB 4.12Å; F579-H639 AromaticContact CD1-CG 3.98Å; F579-H639 AromaticContact CD1-ND1 3.92Å; F579-H639 AromaticContact CD2-CE1 3.47Å; F579-H639 VanDerWaalsContact CD2-CE1 3.47Å; F579-H639 WeakPolarHBondContact CD2-CE1 3.48Å; F579-H639 AromaticContact CD2-ND1 3.45Å; F579-H639 WeakPolarHBondContact CD2-ND1 3.46Å; F579-H639 HydrophobicContact CE1-CB 4.24Å; F579-H639 AromaticContact CE2-CE1 3.92Å; F579-H639 AromaticContact CE2-ND1 3.58Å; F579-H639 AromaticContact CG-CE1 3.81Å; F579-H639 AromaticContact CG-CG 3.93Å; F579-H639 AromaticContact CG-ND1 3.63Å; F579-H639 AromaticContact CZ-ND1 3.87Å
580	C	94.9	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-45.8	178.6	-64.2	0	0	0	0	111.7	E577 K578 K583 L584 L615 V644 C646	E577-C580 VanDerWaalsContact O-CB 3.27Å; E577-C580 WeakPolarHBondContact O-CB 3.21Å; E577-C580 PolarHBondContact O-N 3.24Å; K578-C580 PolarHBondContact O-N 2.47Å; C580-K583 PolarHBondContact O-N 3.21Å; C580-L584 WeakPolarHBondContact O-CB 3.01Å; C580-L584 PolarHBondContact O-N 3.39Å; C580-L615 VanDerWaalsContact C-CD1 3.44Å; C580-L615 HydrophobicContact CB-CB 4.41Å; C580-L615 HydrophobicContact CB-CD1 3.72Å; C580-L615 WeakPolarHBondContact O-CD1 3.08Å; C580-V644 VanDerWaalsContact SG-CG1 3.58Å; C580-C646 VanDerWaalsContact CA-SG 3.57Å; C580-C646 HydrophobicContact CB-CB 3.5Å; C580-C646 WeakPolarHBondContact CB-SG 3.36Å; C580-C646 VanDerWaalsContact SG-CA 3.54Å; C580-C646 WeakPolarHBondContact SG-CB 3.46Å; C580-C646 CovalentContact SG-SG 2.02Å; C580-C646 PolarHBondContact SG-SG 2.81Å
581	Y	96.1	Very high	93.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-48.2	-179.5	-66.6	-95	0	0	0	111.1	K578 F579 K583 N585 F610 S613 L615 V662	K578-Y581 PolarHBondContact O-N 3.47Å; K578-Y581 VanDerWaalsContact O-N 3.1Å; F579-Y581 VanDerWaalsContact C-N 3.34Å; F579-Y581 PolarHBondContact O-N 3.07Å; Y581-K583 PolarHBondContact O-N 3.15Å; Y581-N585 VanDerWaalsContact O-CB 3.28Å; Y581-N585 WeakPolarHBondContact O-CB 3.49Å; Y581-N585 PolarHBondContact O-N 3.11Å; Y581-F610 HydrophobicContact CD1-CD1 4.35Å; Y581-F610 HydrophobicContact CD2-CD1 4.38Å; Y581-F610 AromaticContact CG-CD1 3.88Å; Y581-F610 HydrophobicContact CG-CD1 3.88Å; Y581-F610 HydrophobicContact CG-CE1 4.25Å; Y581-S613 WeakPolarHBondContact CE1-O 3.11Å; Y581-L615 HydrophobicContact CD1-CD1 4.13Å; Y581-L615 HydrophobicContact CD1-CG 4.4Å; Y581-L615 HydrophobicContact CD2-CD1 4.31Å; Y581-L615 HydrophobicContact CE1-CB 4.15Å; Y581-L615 HydrophobicContact CE1-CD1 4.41Å; Y581-L615 HydrophobicContact CE1-CG 4.22Å; Y581-L615 HydrophobicContact CE2-CB 3.98Å; Y581-L615 HydrophobicContact CG-CD1 4.07Å; Y581-L615 PolarHBondContact OH-N 3.44Å; Y581-L615 VanDerWaalsContact OH-N 3.08Å; Y581-L615 PolarHBondContact OH-O 2.85Å; Y581-V662 HydrophobicContact CE1-CG2 4.11Å
582	E	95.5	Very high	93.4	Very high	99 Å²	99	53.1 Å²	53.1	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-34.4	179.1	-68.5	171.2	-178.4	0	0	112.1	K578 F579 T586 V609 F610	K578-E582 PolarHBondContact O-N 3.18Å; K578-E582 VanDerWaalsContact O-N 3.11Å; F579-E582 PolarHBondContact O-N 2.95Å; E582-T586 VanDerWaalsContact O-CG2 3.24Å; E582-T586 WeakPolarHBondContact O-CG2 3.33Å; E582-T586 PolarHBondContact O-OG1 3.49Å; E582-V609 HydrophobicContact CG-CG2 4.27Å; E582-F610 HydrophobicContact CG-CE1 4.39Å; E582-F610 HydrophobicContact CG-CZ 4.08Å
583	K	93.4	Very high	93.7	Very high	95 Å²	95	44.5 Å²	44.5	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-77.9	-61.7	177.5	-172.4	72.7	-174.5	178.9	0	112	F579 C580 Y581 T586 E587 F637	F579-K583 HydrophobicContact CZ-CB 4.38Å; F579-K583 HydrophobicContact CZ-CD 4.46Å; F579-K583 HydrophobicContact CZ-CG 4.44Å; F579-K583 VanDerWaalsContact O-CB 3.23Å; F579-K583 WeakPolarHBondContact O-CB 3.17Å; F579-K583 PolarHBondContact O-N 3.47Å; C580-K583 PolarHBondContact O-N 3.21Å; Y581-K583 PolarHBondContact O-N 3.15Å; K583-T586 PolarHBondContact O-OG1 3.22Å; K583-E587 WeakPolarHBondContact O-CG 3.32Å; K583-F637 HydrophobicContact CG-CZ 4.43Å
584	L	95	Very high	93.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-77	-43.1	-167.5	-66.3	179	0	0	0	112.6	C580 T586 E587 K591 G592 L615 T635 F637 C646	C580-L584 WeakPolarHBondContact O-CB 3.01Å; C580-L584 PolarHBondContact O-N 3.39Å; L584-T586 PolarHBondContact O-N 3.46Å; L584-E587 WeakPolarHBondContact O-CB 3.25Å; L584-E587 PolarHBondContact O-N 2.61Å; L584-K591 HydrophobicContact CD2-CB 4.26Å; L584-G592 CarbonylContact O-C 3.59Å; L584-L615 HydrophobicContact CB-CD1 4.24Å; L584-L615 HydrophobicContact CD1-CD1 4.09Å; L584-L615 HydrophobicContact CD1-CD2 4.11Å; L584-T635 HydrophobicContact CD1-CG2 4.37Å; L584-T635 HydrophobicContact CD2-CG2 4.4Å; L584-F637 HydrophobicContact CD1-CE2 4.26Å; L584-F637 HydrophobicContact CD2-CE2 3.98Å; L584-F637 HydrophobicContact CD2-CZ 3.83Å; L584-F637 HydrophobicContact CG-CE2 4.17Å; L584-F637 HydrophobicContact CG-CZ 4.49Å; L584-C646 HydrophobicContact CD1-CB 3.81Å
585	N	96.9	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.2	-174.9	-73	-11.9	0	0	0	112.9	Y581 G592 N593 C604 V609 S613	Y581-N585 VanDerWaalsContact O-CB 3.28Å; Y581-N585 WeakPolarHBondContact O-CB 3.49Å; Y581-N585 PolarHBondContact O-N 3.11Å; N585-G592 WeakPolarHBondContact OD1-CA 3.47Å; N585-N593 PolarHBondContact OD1-N 2.77Å; N585-C604 HydrophobicContact CB-CB 4.13Å; N585-C604 VanDerWaalsContact O-CB 3.25Å; N585-C604 WeakPolarHBondContact O-CB 3.22Å; N585-C604 PolarHBondContact O-N 3.5Å; N585-V609 HydrophobicContact CB-CB 4.44Å; N585-V609 PolarHBondContact ND2-O 3.07Å; N585-S613 PolarHBondContact ND2-N 2.99Å; N585-S613 PolarHBondContact ND2-O 2.78Å; N585-S613 VanDerWaalsContact ND2-O 3.13Å; N585-S613 WeakPolarHBondContact OD1-CB 3.09Å
586	T	96.3	Very high	93.7	Very high	49 Å²	49	47.6 Å²	47.6	30%	0.301	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	173.4	60.9	0	0	0	0	113.3	E582 K583 L584 G588 V609	E582-T586 VanDerWaalsContact O-CG2 3.24Å; E582-T586 WeakPolarHBondContact O-CG2 3.33Å; E582-T586 PolarHBondContact O-OG1 3.49Å; K583-T586 PolarHBondContact O-OG1 3.22Å; L584-T586 PolarHBondContact O-N 3.46Å; T586-G588 VanDerWaalsContact C-N 3.35Å; T586-V609 HydrophobicContact CG2-CG1 3.42Å; T586-V609 VanDerWaalsContact CG2-CG1 3.42Å
587	E	94.4	Very high	93.5	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.1	177.1	-64.6	178.6	-177.7	0	0	111.5	K583 L584 T589 Q603	K583-E587 WeakPolarHBondContact O-CG 3.32Å; L584-E587 WeakPolarHBondContact O-CB 3.25Å; L584-E587 PolarHBondContact O-N 2.61Å; E587-T589 HydrophobicContact CB-CG2 3.96Å; E587-Q603 WeakPolarHBondContact O-CG 3.49Å; E587-Q603 PolarHBondContact O-NE2 3.4Å
588	G	93.6	Very high	93.2	Very high	12 Å²	12	50.9 Å²	50.9	12%	0.124	26%	0.264	C	S	.	.			trans	64	52.9	-177.6	0	0	0	0	0	111	T586 G592 W601	T586-G588 VanDerWaalsContact C-N 3.35Å; G588-G592 CarbonylContact C-O 3.53Å; G588-G592 VanDerWaalsContact CA-O 3.32Å; G588-G592 WeakPolarHBondContact CA-O 3.17Å; G588-G592 PolarHBondContact N-O 2.84Å; G588-W601 WeakPolarHBondContact O-CB 3.33Å
589	T	92	Very high	92.9	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.301	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-122.4	177.5	177.7	68.6	0	0	0	0	109.3	E587 K591 G592 N593	E587-T589 HydrophobicContact CB-CG2 3.96Å; T589-K591 PolarHBondContact O-N 3.05Å; T589-K591 VanDerWaalsContact O-N 3.14Å; T589-K591 PolarHBondContact OG1-N 3.02Å; T589-G592 PolarHBondContact N-O 3Å; T589-G592 CarbonylContact O-C 3.53Å; T589-G592 VanDerWaalsContact O-C 3.26Å; T589-G592 PolarHBondContact O-N 2.78Å; T589-N593 WeakPolarHBondContact O-CB 3.43Å; T589-N593 PolarHBondContact O-ND2 3.09Å
590	E	88.9	Confident	92.9	Very high	101 Å²	101	57.6 Å²	57.6	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.5	171.8	-176	169.1	-150.3	0	0	112.6	G592 W601	E590-G592 VanDerWaalsContact C-N 3.3Å; E590-G592 PolarHBondContact O-N 3Å; E590-W601 HydrophobicContact CB-CZ2 3.86Å; E590-W601 HydrophobicContact CG-CZ2 3.87Å
591	K	88.8	Confident	92.9	Very high	102 Å²	102	59.8 Å²	59.8	44%	0.443	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.5	179.1	-46.3	-158.2	171.9	178.4	0	114.2	L584 T589 T633	L584-K591 HydrophobicContact CD2-CB 4.26Å; T589-K591 PolarHBondContact O-N 3.05Å; T589-K591 VanDerWaalsContact O-N 3.14Å; T589-K591 PolarHBondContact OG1-N 3.02Å; K591-T633 HydrophobicContact CB-CG2 3.71Å; K591-T633 HydrophobicContact CD-CG2 3.68Å; K591-T633 HydrophobicContact CG-CG2 3.4Å; K591-T633 VanDerWaalsContact CG-CG2 3.4Å
592	G	93.5	Very high	92.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	179.9	124.1	-177	0	0	0	0	0	111.5	L584 N585 G588 T589 E590	L584-G592 CarbonylContact O-C 3.59Å; N585-G592 WeakPolarHBondContact OD1-CA 3.47Å; G588-G592 CarbonylContact C-O 3.53Å; G588-G592 VanDerWaalsContact CA-O 3.32Å; G588-G592 WeakPolarHBondContact CA-O 3.17Å; G588-G592 PolarHBondContact N-O 2.84Å; T589-G592 PolarHBondContact N-O 3Å; T589-G592 CarbonylContact O-C 3.53Å; T589-G592 VanDerWaalsContact O-C 3.26Å; T589-G592 PolarHBondContact O-N 2.78Å; E590-G592 VanDerWaalsContact C-N 3.3Å; E590-G592 PolarHBondContact O-N 3Å
593	N	95.3	Very high	93	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.33	C	S	.	.			trans	-162.7	172.2	-175	60.6	82.2	0	0	0	111.6	N585 T589 G595 W601 L602 G612 S613 Y661	N585-N593 PolarHBondContact OD1-N 2.77Å; T589-N593 WeakPolarHBondContact O-CB 3.43Å; T589-N593 PolarHBondContact O-ND2 3.09Å; N593-G595 WeakPolarHBondContact OD1-CA 3.19Å; N593-G595 PolarHBondContact OD1-N 2.97Å; N593-G595 PolarHBondContact OD1-O 2.85Å; N593-W601 HydrophobicContact CB-CB 4.19Å; N593-W601 HydrophobicContact CB-CE3 4.15Å; N593-W601 WeakPolarHBondContact ND2-CZ3 3.49Å; N593-L602 CarbonylContact C-O 3.57Å; N593-L602 VanDerWaalsContact CA-O 3.32Å; N593-L602 WeakPolarHBondContact CA-O 3.07Å; N593-L602 VanDerWaalsContact CB-O 3.25Å; N593-L602 WeakPolarHBondContact CB-O 3.18Å; N593-G612 CarbonylContact O-C 3.6Å; N593-G612 VanDerWaalsContact O-CA 3.22Å; N593-G612 WeakPolarHBondContact O-CA 3.2Å; N593-S613 PolarHBondContact N-OG 2.86Å; N593-S613 PolarHBondContact ND2-OG 2.94Å; N593-S613 PolarHBondContact O-N 3.4Å; N593-S613 PolarHBondContact O-OG 3.47Å; N593-Y661 VanDerWaalsContact OD1-CE1 3.28Å; N593-Y661 WeakPolarHBondContact OD1-CE1 3.44Å; N593-Y661 VanDerWaalsContact OD1-CZ 3.31Å; N593-Y661 PolarHBondContact OD1-OH 3.17Å
594	C	96.1	Very high	93.1	Very high	22 Å²	22	60.9 Å²	60.9	15%	0.149	31%	0.313	C	S	.	.	S	Bend	trans	-105.1	25.7	173.6	-88.2	0	0	0	0	112.4	L602 C604 R677	C594-L602 PolarHBondContact N-O 3.27Å; C594-C604 WeakPolarHBondContact CA-SG 3.42Å; C594-C604 HydrophobicContact CB-CB 4.04Å; C594-C604 WeakPolarHBondContact CB-SG 3.45Å; C594-C604 PolarHBondContact N-SG 2.8Å; C594-C604 WeakPolarHBondContact SG-CA 3.28Å; C594-C604 WeakPolarHBondContact SG-CB 3.48Å; C594-C604 CovalentContact SG-SG 2.02Å; C594-C604 PolarHBondContact SG-SG 3.26Å; C594-R677 WeakPolarHBondContact O-CD 3.42Å
595	G	92.4	Very high	93.2	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.021	33%	0.331	C	S	.	.			trans	115.9	-164.8	-177.8	0	0	0	0	0	114.1	N593 L602 Y661	N593-G595 WeakPolarHBondContact OD1-CA 3.19Å; N593-G595 PolarHBondContact OD1-N 2.97Å; N593-G595 PolarHBondContact OD1-O 2.85Å; G595-L602 PolarHBondContact O-N 2.86Å; G595-Y661 WeakPolarHBondContact CA-OH 3.41Å
596	K	90.5	Very high	93.1	Very high	96 Å²	96	72.6 Å²	72.6	42%	0.417	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142	-178.7	-77.7	-179.1	150.7	161.7	0	110.2	K600 W601	K596-K600 WeakPolarHBondContact CA-O 3.19Å; K596-W601 HydrophobicContact CD-CD2 4.32Å; K596-W601 HydrophobicContact CD-CE3 3.84Å; K596-W601 HydrophobicContact CD-CH2 3.92Å; K596-W601 HydrophobicContact CD-CZ2 4.35Å; K596-W601 HydrophobicContact CD-CZ3 3.62Å; K596-W601 VanDerWaalsContact CE-CD2 3.48Å; K596-W601 VanDerWaalsContact CE-CE3 3.44Å; K596-W601 HydrophobicContact CG-CD2 3.92Å; K596-W601 HydrophobicContact CG-CE3 3.26Å; K596-W601 HydrophobicContact CG-CH2 4.26Å; K596-W601 HydrophobicContact CG-CZ3 3.47Å; K596-W601 VanDerWaalsContact CG-CZ3 3.47Å
597	D	89.1	Confident	93	Very high	120 Å²	120	75 Å²	75	64%	0.642	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	102.1	163.2	-178.9	22.6	0	0	0	107.5	E599 K600 L602	D597-E599 PolarHBondContact O-N 2.89Å; D597-K600 PolarHBondContact N-O 2.65Å; D597-K600 PolarHBondContact O-N 2.93Å; D597-K600 VanDerWaalsContact O-N 3.07Å; D597-L602 HydrophobicContact CB-CD1 4.33Å; D597-L602 HydrophobicContact CB-CD2 3.83Å; D597-L602 HydrophobicContact CB-CG 4.21Å
598	G	88.1	Confident	93.2	Very high	62 Å²	62	73 Å²	73	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-121.8	-163.5	0	0	0	0	0	111.6
599	E	87.3	Confident	93.3	Very high	171 Å²	171	72.7 Å²	72.7	80%	0.799	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10	177.2	-66.2	-58	141.6	0	0	113.4	D597	D597-E599 PolarHBondContact O-N 2.89Å
600	K	93.6	Very high	93.6	Very high	156 Å²	156	71.7 Å²	71.7	68%	0.678	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	127	-174.1	-173.2	-178.8	174.9	-174.1	0	110.8	K596 D597	K596-K600 WeakPolarHBondContact CA-O 3.19Å; D597-K600 PolarHBondContact N-O 2.65Å; D597-K600 PolarHBondContact O-N 2.93Å; D597-K600 VanDerWaalsContact O-N 3.07Å
601	W	94.3	Very high	94	Very high	47 Å²	47	66.9 Å²	66.9	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.7	170.9	-62.4	111.5	0	0	0	111.5	G588 E590 N593 K596 H650	G588-W601 WeakPolarHBondContact O-CB 3.33Å; E590-W601 HydrophobicContact CB-CZ2 3.86Å; E590-W601 HydrophobicContact CG-CZ2 3.87Å; N593-W601 HydrophobicContact CB-CB 4.19Å; N593-W601 HydrophobicContact CB-CE3 4.15Å; N593-W601 WeakPolarHBondContact ND2-CZ3 3.49Å; K596-W601 HydrophobicContact CD-CD2 4.32Å; K596-W601 HydrophobicContact CD-CE3 3.84Å; K596-W601 HydrophobicContact CD-CH2 3.92Å; K596-W601 HydrophobicContact CD-CZ2 4.35Å; K596-W601 HydrophobicContact CD-CZ3 3.62Å; K596-W601 VanDerWaalsContact CE-CD2 3.48Å; K596-W601 VanDerWaalsContact CE-CE3 3.44Å; K596-W601 HydrophobicContact CG-CD2 3.92Å; K596-W601 HydrophobicContact CG-CE3 3.26Å; K596-W601 HydrophobicContact CG-CH2 4.26Å; K596-W601 HydrophobicContact CG-CZ3 3.47Å; K596-W601 VanDerWaalsContact CG-CZ3 3.47Å; W601-H650 AromaticContact CH2-CE1 3.87Å; W601-H650 AromaticContact CH2-NE2 3.35Å; W601-H650 WeakPolarHBondContact CH2-NE2 3.47Å; W601-H650 AromaticContact CZ3-CE1 3.95Å; W601-H650 AromaticContact CZ3-NE2 3.8Å
602	L	95.9	Very high	94.4	Very high	69 Å²	69	62 Å²	62	36%	0.361	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-90.4	126.9	179.7	-66.8	174.6	0	0	0	110.5	N593 C594 G595 D597	N593-L602 CarbonylContact C-O 3.57Å; N593-L602 VanDerWaalsContact CA-O 3.32Å; N593-L602 WeakPolarHBondContact CA-O 3.07Å; N593-L602 VanDerWaalsContact CB-O 3.25Å; N593-L602 WeakPolarHBondContact CB-O 3.18Å; C594-L602 PolarHBondContact N-O 3.27Å; G595-L602 PolarHBondContact O-N 2.86Å; D597-L602 HydrophobicContact CB-CD1 4.33Å; D597-L602 HydrophobicContact CB-CD2 3.83Å; D597-L602 HydrophobicContact CB-CG 4.21Å
603	Q	96.7	Very high	94.5	Very high	138 Å²	138	62.3 Å²	62.3	65%	0.645	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-68.7	130.9	169.8	-72.2	-179.7	-14.6	0	0	109.8	E587	E587-Q603 WeakPolarHBondContact O-CG 3.49Å; E587-Q603 PolarHBondContact O-NE2 3.4Å
604	C	97.5	Very high	94.5	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.061	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.8	141.5	171.2	-66.4	0	0	0	0	110.7	N585 C594 V609	N585-C604 HydrophobicContact CB-CB 4.13Å; N585-C604 VanDerWaalsContact O-CB 3.25Å; N585-C604 WeakPolarHBondContact O-CB 3.22Å; N585-C604 PolarHBondContact O-N 3.5Å; C594-C604 WeakPolarHBondContact CA-SG 3.42Å; C594-C604 HydrophobicContact CB-CB 4.04Å; C594-C604 WeakPolarHBondContact CB-SG 3.45Å; C594-C604 PolarHBondContact N-SG 2.8Å; C594-C604 WeakPolarHBondContact SG-CA 3.28Å; C594-C604 WeakPolarHBondContact SG-CB 3.48Å; C594-C604 CovalentContact SG-SG 2.02Å; C594-C604 PolarHBondContact SG-SG 3.26Å; C604-V609 HydrophobicContact CB-CG1 4.21Å
605	S	96.8	Very high	94.5	Very high	54 Å²	54	61.5 Å²	61.5	38%	0.378	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-64	157.3	163	88.6	0	0	0	0	109.3	H607 D608 V609	S605-H607 PolarHBondContact O-N 2.76Å; S605-H607 VanDerWaalsContact O-N 3.07Å; S605-H607 PolarHBondContact OG-N 3.17Å; S605-D608 WeakPolarHBondContact CB-OD2 3.46Å; S605-D608 PolarHBondContact O-N 3.07Å; S605-D608 VanDerWaalsContact OG-CG 3.24Å; S605-D608 PolarHBondContact OG-N 3.35Å; S605-D608 VanDerWaalsContact OG-N 3.15Å; S605-D608 PolarHBondContact OG-OD2 3.31Å; S605-V609 WeakPolarHBondContact O-CG1 3.34Å; S605-V609 PolarHBondContact O-N 3.24Å
606	K	94.2	Very high	94.7	Very high	194 Å²	194	61.4 Å²	61.4	84%	0.843	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.9	173.9	-71.3	-172.2	178.2	-178	0	112.9
607	H	95	Very high	94.8	Very high	100 Å²	100	58.2 Å²	58.2	46%	0.463	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-34.4	178.9	-164.6	-27.1	0	0	0	111.7	S605 M672 C679	S605-H607 PolarHBondContact O-N 2.76Å; S605-H607 VanDerWaalsContact O-N 3.07Å; S605-H607 PolarHBondContact OG-N 3.17Å; H607-M672 WeakPolarHBondContact CE1-CE 3.45Å; H607-M672 VanDerWaalsContact CE1-SD 3.52Å; H607-M672 WeakPolarHBondContact NE2-CE 3.39Å; H607-C679 PolarHBondContact CE1-O 2.95Å; H607-C679 VanDerWaalsContact CE1-SG 3.55Å; H607-C679 WeakPolarHBondContact ND1-CB 3.44Å; H607-C679 VanDerWaalsContact O-CB 3.27Å; H607-C679 WeakPolarHBondContact O-CB 3.41Å
608	D	97	Very high	94.8	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.16	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.6	-171.8	-55.3	-50.5	0	0	0	113.5	S605 F610 C611 G612 K678 C679	S605-D608 WeakPolarHBondContact CB-OD2 3.46Å; S605-D608 PolarHBondContact O-N 3.07Å; S605-D608 VanDerWaalsContact OG-CG 3.24Å; S605-D608 PolarHBondContact OG-N 3.35Å; S605-D608 VanDerWaalsContact OG-N 3.15Å; S605-D608 PolarHBondContact OG-OD2 3.31Å; D608-F610 PolarHBondContact O-N 3.47Å; D608-C611 PolarHBondContact O-N 3.46Å; D608-G612 PolarHBondContact O-N 3.49Å; D608-K678 WeakPolarHBondContact OD1-CA 3.03Å; D608-C679 PolarHBondContact OD1-N 3.25Å
609	V	97.3	Very high	94.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.9	-176	-62.8	0	0	0	0	113.9	E582 N585 T586 C604 S605	E582-V609 HydrophobicContact CG-CG2 4.27Å; N585-V609 HydrophobicContact CB-CB 4.44Å; N585-V609 PolarHBondContact ND2-O 3.07Å; T586-V609 HydrophobicContact CG2-CG1 3.42Å; T586-V609 VanDerWaalsContact CG2-CG1 3.42Å; C604-V609 HydrophobicContact CB-CG1 4.21Å; S605-V609 WeakPolarHBondContact O-CG1 3.34Å; S605-V609 PolarHBondContact O-N 3.24Å
610	F	97.1	Very high	94.6	Very high	28 Å²	28	50.1 Å²	50.1	12%	0.123	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.3	179.6	-63.6	-49.3	0	0	0	114.6	R561 K578 Y581 E582 D608 V662 C668	R561-F610 VanDerWaalsContact NH1-CB 3.35Å; R561-F610 VanDerWaalsContact NH1-CG 3.31Å; K578-F610 HydrophobicContact CB-CE1 3.9Å; K578-F610 HydrophobicContact CB-CZ 4Å; K578-F610 HydrophobicContact CD-CZ 4.19Å; K578-F610 HydrophobicContact CG-CE1 4.02Å; K578-F610 HydrophobicContact CG-CZ 4.09Å; Y581-F610 HydrophobicContact CD1-CD1 4.35Å; Y581-F610 HydrophobicContact CD2-CD1 4.38Å; Y581-F610 AromaticContact CG-CD1 3.88Å; Y581-F610 HydrophobicContact CG-CD1 3.88Å; Y581-F610 HydrophobicContact CG-CE1 4.25Å; E582-F610 HydrophobicContact CG-CE1 4.39Å; E582-F610 HydrophobicContact CG-CZ 4.08Å; D608-F610 PolarHBondContact O-N 3.47Å; F610-V662 WeakPolarHBondContact O-CG2 3.16Å; F610-C668 HydrophobicContact CB-CB 4Å
611	C	97.4	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	0.3	176.7	-58.5	0	0	0	0	113.2	D608 C668 C674 R677	D608-C611 PolarHBondContact O-N 3.46Å; C611-C668 VanDerWaalsContact SG-CB 3.5Å; C611-C674 WeakPolarHBondContact CA-SG 3.3Å; C611-C674 HydrophobicContact CB-CB 3.7Å; C611-C674 WeakPolarHBondContact CB-SG 3.27Å; C611-C674 WeakPolarHBondContact SG-CA 3.41Å; C611-C674 WeakPolarHBondContact SG-CB 3.43Å; C611-C674 CovalentContact SG-SG 2.04Å; C611-C674 PolarHBondContact SG-SG 2.98Å; C611-R677 VanDerWaalsContact CB-C 3.49Å; C611-R677 WeakPolarHBondContact CB-O 3.24Å; C611-R677 WeakPolarHBondContact O-CA 3.3Å
612	G	96.4	Very high	93.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-78.5	-142.8	174.2	0	0	0	0	0	112.8	N593 D608 L614 V662	N593-G612 CarbonylContact O-C 3.6Å; N593-G612 VanDerWaalsContact O-CA 3.22Å; N593-G612 WeakPolarHBondContact O-CA 3.2Å; D608-G612 PolarHBondContact O-N 3.49Å; G612-L614 PolarHBondContact O-N 2.81Å; G612-V662 PolarHBondContact O-N 2.82Å
613	S	96.1	Very high	93.2	Very high	6 Å²	6	55 Å²	55	4%	0.042	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-55.7	136.6	177.5	-55.3	0	0	0	0	111.4	Y581 N585 N593	Y581-S613 WeakPolarHBondContact CE1-O 3.11Å; N585-S613 PolarHBondContact ND2-N 2.99Å; N585-S613 PolarHBondContact ND2-O 2.78Å; N585-S613 VanDerWaalsContact ND2-O 3.13Å; N585-S613 WeakPolarHBondContact OD1-CB 3.09Å; N593-S613 PolarHBondContact N-OG 2.86Å; N593-S613 PolarHBondContact ND2-OG 2.94Å; N593-S613 PolarHBondContact O-N 3.4Å; N593-S613 PolarHBondContact O-OG 3.47Å
614	L	96.6	Very high	92.7	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	27%	0.265	C	S	.	.			trans	-75.2	128.6	173.7	-178.7	71.3	0	0	0	109.4	R561 Q564 L568 G612 G660 V662	R561-L614 HydrophobicContact CB-CD1 4.05Å; R561-L614 HydrophobicContact CG-CD1 4.17Å; Q564-L614 HydrophobicContact CB-CD1 4.46Å; Q564-L614 HydrophobicContact CB-CD2 4.19Å; Q564-L614 HydrophobicContact CG-CD2 3.74Å; L568-L614 HydrophobicContact CD1-CD2 3.5Å; G612-L614 PolarHBondContact O-N 2.81Å; L614-G660 PolarHBondContact N-O 2.77Å; L614-V662 HydrophobicContact CB-CG2 4.39Å; L614-V662 HydrophobicContact CD1-CG2 4.08Å
615	L	95.9	Very high	92.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.262	C	S	.	.			trans	-119.9	126.8	179.4	-56.6	172.1	0	0	0	109.5	S576 C580 Y581 L584	S576-L615 WeakPolarHBondContact CB-O 3.34Å; S576-L615 PolarHBondContact N-O 3.1Å; S576-L615 VanDerWaalsContact OG-C 3.22Å; S576-L615 PolarHBondContact OG-O 2.71Å; C580-L615 VanDerWaalsContact C-CD1 3.44Å; C580-L615 HydrophobicContact CB-CB 4.41Å; C580-L615 HydrophobicContact CB-CD1 3.72Å; C580-L615 WeakPolarHBondContact O-CD1 3.08Å; Y581-L615 HydrophobicContact CD1-CD1 4.13Å; Y581-L615 HydrophobicContact CD1-CG 4.4Å; Y581-L615 HydrophobicContact CD2-CD1 4.31Å; Y581-L615 HydrophobicContact CE1-CB 4.15Å; Y581-L615 HydrophobicContact CE1-CD1 4.41Å; Y581-L615 HydrophobicContact CE1-CG 4.22Å; Y581-L615 HydrophobicContact CE2-CB 3.98Å; Y581-L615 HydrophobicContact CG-CD1 4.07Å; Y581-L615 PolarHBondContact OH-N 3.44Å; Y581-L615 VanDerWaalsContact OH-N 3.08Å; Y581-L615 PolarHBondContact OH-O 2.85Å; L584-L615 HydrophobicContact CB-CD1 4.24Å; L584-L615 HydrophobicContact CD1-CD1 4.09Å; L584-L615 HydrophobicContact CD1-CD2 4.11Å
616	C	95.2	Very high	91.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.3	-173.5	-57.2	0	0	0	0	111.3	C565 G574 S576 I619 S647	C565-C616 VanDerWaalsContact CA-SG 3.55Å; C565-C616 HydrophobicContact CB-CB 3.77Å; C565-C616 WeakPolarHBondContact CB-SG 3.42Å; C565-C616 WeakPolarHBondContact SG-CA 3.46Å; C565-C616 WeakPolarHBondContact SG-CB 3.4Å; C565-C616 CovalentContact SG-SG 2.03Å; C565-C616 PolarHBondContact SG-SG 3.49Å; G574-C616 CarbonylContact O-C 3.59Å; G574-C616 VanDerWaalsContact O-CA 3.29Å; G574-C616 WeakPolarHBondContact O-CA 3.34Å; S576-C616 VanDerWaalsContact OG-CA 3.31Å; S576-C616 WeakPolarHBondContact OG-CA 3.45Å; S576-C616 PolarHBondContact OG-N 2.99Å; S576-C616 VanDerWaalsContact OG-N 3.14Å; S576-C616 PolarHBondContact OG-O 3.48Å; C616-I619 HydrophobicContact CB-CG2 3.35Å; C616-S647 PolarHBondContact N-O 3Å; C616-S647 PolarHBondContact O-N 2.79Å
617	S	93.3	Very high	91.3	Very high	28 Å²	28	49.3 Å²	49.3	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.4	173.7	56.1	0	0	0	0	110	A573 G574 I619 D645	A573-S617 WeakPolarHBondContact CA-O 3.23Å; G574-S617 PolarHBondContact N-O 3.15Å; G574-S617 VanDerWaalsContact N-O 3.11Å; G574-S617 PolarHBondContact O-N 3.21Å; G574-S617 PolarHBondContact O-OG 2.97Å; G574-S617 VanDerWaalsContact O-OG 3.08Å; S617-I619 VanDerWaalsContact C-N 3.29Å; S617-I619 PolarHBondContact O-N 2.87Å; S617-D645 WeakPolarHBondContact CA-OD2 3.27Å
618	N	89.1	Confident	91	Very high	119 Å²	119	47 Å²	47	64%	0.636	24%	0.24	S	C	*	.	S	Bend	trans	56.7	39.3	178.9	-59.9	-33.7	0	0	0	113.3	D645	N618-D645 PolarHBondContact N-OD2 2.92Å
619	I	89.3	Confident	90.5	Very high	31 Å²	31	51.5 Å²	51.5	16%	0.159	26%	0.258	C	S	.	.			trans	-73.2	141.1	-179.5	63.1	173.9	0	0	0	111.9	W569 C616 S617 I632	W569-I619 HydrophobicContact CB-CB 4.38Å; W569-I619 HydrophobicContact CB-CG2 4.29Å; W569-I619 HydrophobicContact CD2-CB 4.03Å; W569-I619 HydrophobicContact CD2-CG2 4.07Å; W569-I619 HydrophobicContact CE3-CB 4.37Å; W569-I619 HydrophobicContact CG-CB 4.03Å; W569-I619 HydrophobicContact CG-CG2 3.75Å; C616-I619 HydrophobicContact CB-CG2 3.35Å; S617-I619 VanDerWaalsContact C-N 3.29Å; S617-I619 PolarHBondContact O-N 2.87Å; I619-I632 HydrophobicContact CD1-CB 4.48Å; I619-I632 HydrophobicContact CD1-CD1 4.19Å; I619-I632 HydrophobicContact CD1-CG1 4.44Å; I619-I632 HydrophobicContact CD1-CG2 3.29Å; I619-I632 HydrophobicContact CG1-CG2 4.39Å
620	G	82.8	Confident	89.9	Confident	33 Å²	33	53.9 Å²	53.9	34%	0.34	28%	0.283	S	S	.	.			trans	-74.3	171.8	168.5	0	0	0	0	0	111.8	I632	G620-I632 WeakPolarHBondContact O-CD1 3.39Å
621	R	80.6	Confident	89.1	Confident	219 Å²	219	59.1 Å²	59.1	83%	0.826	31%	0.312	S	S	*	.	S	Bend	trans	-74.7	-31	176.4	-71.1	-173.1	-179.8	-167.2	-0.2	113.7	I632	R621-I632 WeakPolarHBondContact O-CD1 3.24Å
622	N	84.3	Confident	88.3	Confident	132 Å²	132	60.9 Å²	60.9	71%	0.706	32%	0.321	S	S	*	.	S	Bend	trans	-117.6	133.4	-177.7	-63.7	-9.7	0	0	0	108.6
623	P	88.9	Confident	87.4	Confident	24 Å²	24	62 Å²	62	16%	0.156	33%	0.328	C	S	.	.			trans	-68.6	153.2	172.2	32.4	-36.1	0	0	0	109.5	L568 W569 I625 M628 V651	L568-P623 CarbonylContact O-C 3.48Å; L568-P623 VanDerWaalsContact O-CA 3.24Å; L568-P623 WeakPolarHBondContact O-CA 3.41Å; W569-P623 HydrophobicContact CE3-CB 4.17Å; W569-P623 HydrophobicContact CZ3-CB 3.99Å; P623-I625 WeakPolarHBondContact CB-O 3.43Å; P623-M628 HydrophobicContact CG-CG 3.74Å; P623-M628 HydrophobicContact CG-SD 3.99Å; P623-V651 HydrophobicContact CB-CG1 4.02Å; P623-V651 HydrophobicContact CB-CG2 3.91Å; P623-V651 HydrophobicContact CG-CG1 4.15Å; P623-V651 HydrophobicContact CG-CG2 4.21Å
624	R	85.8	Confident	86.4	Confident	110 Å²	110	66.6 Å²	66.6	42%	0.415	36%	0.358	S	S	.	.	S	Bend	trans	-72	-34.8	174.7	179.4	-176	168.3	-145.1	-11.3	111.5	E437 L568	E437-R624 IonicContact OE1-CZ 2.71Å; E437-R624 IonicContact OE1-NH1 3.62Å; E437-R624 PolarHBondContact OE1-NH1 2.81Å; E437-R624 VanDerWaalsContact OE1-NH1 3.08Å; E437-R624 IonicContact OE1-NH2 3.71Å; E437-R624 IonicContact OE2-CZ 3.52Å; E437-R624 IonicContact OE2-NH1 2.71Å; E437-R624 PolarHBondContact OE2-NH1 2.97Å; E437-R624 IonicContact OE2-NH2 3.67Å; E437-R624 PolarHBondContact OE2-NH2 3.32Å; L568-R624 PolarHBondContact O-N 3.44Å
625	I	85.8	Confident	85.8	Confident	1 Å²	1	67 Å²	67	1%	0.005	36%	0.361	C	S	.	.	S	Bend	trans	-125.5	146.4	-178.3	177.1	165.8	0	0	0	110.3	F359 Q395 Y567 L568 P623 V651 L653 L659	F359-I625 HydrophobicContact CE1-CD1 3.82Å; F359-I625 HydrophobicContact CE2-CD1 4.4Å; F359-I625 HydrophobicContact CZ-CD1 3.67Å; Q395-I625 HydrophobicContact CG-CD1 4.04Å; Q395-I625 HydrophobicContact CG-CG1 4.13Å; Q395-I625 VanDerWaalsContact NE2-CD1 3.35Å; Y567-I625 HydrophobicContact CD1-CG2 4.36Å; Y567-I625 HydrophobicContact CE1-CD1 4Å; Y567-I625 HydrophobicContact CE1-CG2 4.08Å; Y567-I625 HydrophobicContact CE2-CD1 4.39Å; Y567-I625 WeakPolarHBondContact OH-CD1 3.31Å; L568-I625 HydrophobicContact CD2-CG2 3.93Å; P623-I625 WeakPolarHBondContact CB-O 3.43Å; I625-V651 WeakPolarHBondContact O-CG1 3.4Å; I625-L653 HydrophobicContact CD1-CD2 3.71Å; I625-L653 HydrophobicContact CG1-CD2 3.57Å; I625-L659 HydrophobicContact CG2-CD1 4.2Å
626	G	86.8	Confident	85.4	Confident	29 Å²	29	70.2 Å²	70.2	30%	0.299	38%	0.384	S	S	.	.	S	Bend	trans	70.2	-170.4	175	0	0	0	0	0	113.3	L652	G626-L652 CarbonylContact C-O 3.58Å; G626-L652 WeakPolarHBondContact CA-O 3.07Å
627	M	87.4	Confident	85	Confident	135 Å²	135	72.9 Å²	72.9	67%	0.665	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.6	-177.5	-63.8	-173.7	68	0	0	110.9	K629 L652	M627-K629 PolarHBondContact O-N 2.85Å; M627-L652 PolarHBondContact N-O 3.49Å; M627-L652 PolarHBondContact O-N 2.74Å
628	M	87.6	Confident	84.7	Confident	52 Å²	52	77.4 Å²	77.4	26%	0.256	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.4	171.7	-74.7	-62.5	-62.7	0	0	111	W569 P623 I632 V651	W569-M628 HydrophobicContact CH2-CE 4.02Å; W569-M628 HydrophobicContact CH2-SD 3.42Å; W569-M628 WeakPolarHBondContact CH2-SD 3.48Å; W569-M628 HydrophobicContact CZ2-SD 4.43Å; W569-M628 HydrophobicContact CZ3-SD 3.95Å; P623-M628 HydrophobicContact CG-CG 3.74Å; P623-M628 HydrophobicContact CG-SD 3.99Å; M628-I632 HydrophobicContact CE-CG1 3.7Å; M628-V651 HydrophobicContact SD-CG2 3.64Å
629	K	86.7	Confident	84.5	Confident	125 Å²	125	74 Å²	74	54%	0.543	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.7	166.2	-175.4	-177.3	-168.6	167.9	0	109.3	M627 H650 L652	M627-K629 PolarHBondContact O-N 2.85Å; K629-H650 HydrophobicContact CB-CB 4.12Å; K629-H650 PolarHBondContact N-O 3.48Å; K629-L652 HydrophobicContact CB-CD1 4.19Å; K629-L652 HydrophobicContact CB-CG 4.08Å; K629-L652 HydrophobicContact CD-CD1 3.74Å; K629-L652 HydrophobicContact CD-CG 4.24Å; K629-L652 HydrophobicContact CG-CD1 4.42Å
630	G	84.8	Confident	84.4	Confident	53 Å²	53	80.8 Å²	80.8	55%	0.546	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-157	-174.1	0	0	0	0	0	111.6
631	D	80.3	Confident	84.5	Confident	138 Å²	138	82.5 Å²	82.5	74%	0.738	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	157	179.7	-70.3	-46.7	0	0	0	111.4	T633	D631-T633 PolarHBondContact O-N 3.36Å
632	I	80.4	Confident	84.9	Confident	37 Å²	37	81.1 Å²	81.1	19%	0.19	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	140.9	162.7	-67.5	174.5	0	0	0	108.1	W569 I619 G620 R621 M628 P634	W569-I632 HydrophobicContact CH2-CD1 4.22Å; W569-I632 HydrophobicContact CH2-CG1 4.08Å; W569-I632 HydrophobicContact CZ3-CD1 4.02Å; W569-I632 HydrophobicContact CZ3-CG1 4.36Å; I619-I632 HydrophobicContact CD1-CB 4.48Å; I619-I632 HydrophobicContact CD1-CD1 4.19Å; I619-I632 HydrophobicContact CD1-CG1 4.44Å; I619-I632 HydrophobicContact CD1-CG2 3.29Å; I619-I632 HydrophobicContact CG1-CG2 4.39Å; G620-I632 WeakPolarHBondContact O-CD1 3.39Å; R621-I632 WeakPolarHBondContact O-CD1 3.24Å; M628-I632 HydrophobicContact CE-CG1 3.7Å; I632-P634 WeakPolarHBondContact O-CD 3.45Å
633	T	77.2	Confident	85.1	Confident	23 Å²	23	81.2 Å²	81.2	14%	0.141	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	83.6	170.2	-56.1	0	0	0	0	109.6	K591 D631 T635 S647 G648	K591-T633 HydrophobicContact CB-CG2 3.71Å; K591-T633 HydrophobicContact CD-CG2 3.68Å; K591-T633 HydrophobicContact CG-CG2 3.4Å; K591-T633 VanDerWaalsContact CG-CG2 3.4Å; D631-T633 PolarHBondContact O-N 3.36Å; T633-T635 PolarHBondContact O-N 2.78Å; T633-T635 PolarHBondContact O-OG1 3.19Å; T633-S647 WeakPolarHBondContact O-CA 3.37Å; T633-G648 PolarHBondContact N-O 3.49Å; T633-G648 PolarHBondContact O-N 3.08Å
634	P	76.8	Confident	85.2	Confident	103 Å²	103	80.3 Å²	80.3	67%	0.669	44%	0.435	S	S	*	.			trans	-68.4	119.7	177.3	29.3	-34.5	0	0	0	109.1	I632 S647	I632-P634 WeakPolarHBondContact O-CD 3.45Å; P634-S647 WeakPolarHBondContact CA-OG 3.43Å
635	T	83	Confident	85.5	Confident	13 Å²	13	77.1 Å²	77.1	8%	0.08	43%	0.426	C	S	.	.			trans	-137.5	122.2	179.9	-47.8	0	0	0	0	109.3	L584 T633 F637 C646 S647	L584-T635 HydrophobicContact CD1-CG2 4.37Å; L584-T635 HydrophobicContact CD2-CG2 4.4Å; T633-T635 PolarHBondContact O-N 2.78Å; T633-T635 PolarHBondContact O-OG1 3.19Å; T635-F637 HydrophobicContact CG2-CD2 4.12Å; T635-F637 HydrophobicContact CG2-CE1 4.31Å; T635-F637 HydrophobicContact CG2-CE2 3.3Å; T635-F637 HydrophobicContact CG2-CZ 3.42Å; T635-F637 VanDerWaalsContact CG2-CZ 3.42Å; T635-C646 CarbonylContact O-C 3Å; T635-C646 WeakPolarHBondContact O-CA 3.11Å; T635-C646 PolarHBondContact O-N 3.27Å; T635-S647 PolarHBondContact N-OG 3.02Å
636	S	87.3	Confident	85.9	Confident	70 Å²	70	77.1 Å²	77.1	49%	0.49	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.5	174.3	59.3	0	0	0	0	111.1	V644	S636-V644 CarbonylContact C-O 3.58Å; S636-V644 WeakPolarHBondContact CA-O 3.44Å
637	F	86.9	Confident	86.2	Confident	55 Å²	55	76 Å²	76	24%	0.241	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.4	-179	-63.7	-78.8	0	0	0	110.7	F579 K583 L584 T635 H639 L643 V644 C646	F579-F637 HydrophobicContact CE1-CB 3.93Å; F579-F637 HydrophobicContact CE1-CD2 4.26Å; F579-F637 HydrophobicContact CE1-CG 4.14Å; K583-F637 HydrophobicContact CG-CZ 4.43Å; L584-F637 HydrophobicContact CD1-CE2 4.26Å; L584-F637 HydrophobicContact CD2-CE2 3.98Å; L584-F637 HydrophobicContact CD2-CZ 3.83Å; L584-F637 HydrophobicContact CG-CE2 4.17Å; L584-F637 HydrophobicContact CG-CZ 4.49Å; T635-F637 HydrophobicContact CG2-CD2 4.12Å; T635-F637 HydrophobicContact CG2-CE1 4.31Å; T635-F637 HydrophobicContact CG2-CE2 3.3Å; T635-F637 HydrophobicContact CG2-CZ 3.42Å; T635-F637 VanDerWaalsContact CG2-CZ 3.42Å; F637-H639 PolarHBondContact O-N 3.46Å; F637-L643 CarbonylContact O-C 3.2Å; F637-L643 WeakPolarHBondContact O-CA 2.98Å; F637-V644 PolarHBondContact N-O 3.39Å; F637-V644 PolarHBondContact O-N 3.2Å; F637-C646 HydrophobicContact CD2-CB 4.28Å; F637-C646 HydrophobicContact CE2-CB 4.27Å
638	N	87.3	Confident	86.4	Confident	124 Å²	124	69.9 Å²	69.9	66%	0.663	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	108.5	166.2	-169.1	-10.3	0	0	0	109	G641 R642	N638-G641 VanDerWaalsContact OD1-CA 3.28Å; N638-G641 WeakPolarHBondContact OD1-CA 3.44Å; N638-G641 PolarHBondContact OD1-N 1.99Å; N638-R642 CarbonylContact C-O 3.6Å; N638-R642 WeakPolarHBondContact CA-O 3.32Å; N638-R642 PolarHBondContact OD1-N 2.86Å; N638-R642 PolarHBondContact OD1-O 2.95Å
639	H	85.1	Confident	86.5	Confident	46 Å²	46	68 Å²	68	21%	0.213	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.2	176.9	-170	71.8	0	0	0	109	F579 F637 G641 R642 V644	F579-H639 HydrophobicContact CD1-CB 4.12Å; F579-H639 AromaticContact CD1-CG 3.98Å; F579-H639 AromaticContact CD1-ND1 3.92Å; F579-H639 AromaticContact CD2-CE1 3.47Å; F579-H639 VanDerWaalsContact CD2-CE1 3.47Å; F579-H639 WeakPolarHBondContact CD2-CE1 3.48Å; F579-H639 AromaticContact CD2-ND1 3.45Å; F579-H639 WeakPolarHBondContact CD2-ND1 3.46Å; F579-H639 HydrophobicContact CE1-CB 4.24Å; F579-H639 AromaticContact CE2-CE1 3.92Å; F579-H639 AromaticContact CE2-ND1 3.58Å; F579-H639 AromaticContact CG-CE1 3.81Å; F579-H639 AromaticContact CG-CG 3.93Å; F579-H639 AromaticContact CG-ND1 3.63Å; F579-H639 AromaticContact CZ-ND1 3.87Å; F637-H639 PolarHBondContact O-N 3.46Å; H639-G641 PolarHBondContact O-N 3.22Å; H639-G641 VanDerWaalsContact O-N 3.15Å; H639-R642 PolarHBondContact N-O 3.02Å; H639-R642 PolarHBondContact O-N 3.44Å; H639-V644 HydrophobicContact CB-CG2 3.81Å
640	Q	87.5	Confident	86.7	Confident	174 Å²	174	62.9 Å²	62.9	81%	0.813	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.1	-179.2	-56.5	178.6	13.9	0	0	114.2	R642	Q640-R642 VanDerWaalsContact C-N 3.3Å; Q640-R642 PolarHBondContact O-N 2.96Å
641	G	85.1	Confident	87	Confident	69 Å²	69	60.3 Å²	60.3	71%	0.711	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	7.7	-180	0	0	0	0	0	114.6	N638 H639	N638-G641 VanDerWaalsContact OD1-CA 3.28Å; N638-G641 WeakPolarHBondContact OD1-CA 3.44Å; N638-G641 PolarHBondContact OD1-N 1.99Å; H639-G641 PolarHBondContact O-N 3.22Å; H639-G641 VanDerWaalsContact O-N 3.15Å
642	R	89.1	Confident	87.5	Confident	190 Å²	190	55.6 Å²	55.6	72%	0.717	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	143	174.7	-70.6	-179.4	167.3	171.4	-3.2	110.7	N638 H639 Q640 V644	N638-R642 CarbonylContact C-O 3.6Å; N638-R642 WeakPolarHBondContact CA-O 3.32Å; N638-R642 PolarHBondContact OD1-N 2.86Å; N638-R642 PolarHBondContact OD1-O 2.95Å; H639-R642 PolarHBondContact N-O 3.02Å; H639-R642 PolarHBondContact O-N 3.44Å; Q640-R642 VanDerWaalsContact C-N 3.3Å; Q640-R642 PolarHBondContact O-N 2.96Å; R642-V644 PolarHBondContact O-N 2.88Å
643	L	88.6	Confident	87.9	Confident	135 Å²	135	54.4 Å²	54.4	71%	0.707	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.2	171.3	-169.8	70.4	0	0	0	108.7	F637	F637-L643 CarbonylContact O-C 3.2Å; F637-L643 WeakPolarHBondContact O-CA 2.98Å
644	V	90.7	Very high	88.2	Confident	5 Å²	5	55 Å²	55	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.1	179.2	-177.9	0	0	0	0	109.1	E577 C580 S636 F637 H639 R642	E577-V644 HydrophobicContact CB-CG1 3.99Å; E577-V644 HydrophobicContact CG-CG1 3.92Å; E577-V644 WeakPolarHBondContact OE1-CG2 3.07Å; C580-V644 VanDerWaalsContact SG-CG1 3.58Å; S636-V644 CarbonylContact C-O 3.58Å; S636-V644 WeakPolarHBondContact CA-O 3.44Å; F637-V644 PolarHBondContact N-O 3.39Å; F637-V644 PolarHBondContact O-N 3.2Å; H639-V644 HydrophobicContact CB-CG2 3.81Å; R642-V644 PolarHBondContact O-N 2.88Å
645	D	91.9	Very high	88.6	Confident	43 Å²	43	50.4 Å²	50.4	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.6	176.7	-172.9	12.9	0	0	0	110.7	S576 S617 N618 S647	S576-D645 WeakPolarHBondContact CB-O 3.39Å; S576-D645 PolarHBondContact OG-O 3.36Å; S617-D645 WeakPolarHBondContact CA-OD2 3.27Å; N618-D645 PolarHBondContact N-OD2 2.92Å; D645-S647 WeakPolarHBondContact OD1-CB 3.43Å; D645-S647 PolarHBondContact OD1-N 2.91Å; D645-S647 PolarHBondContact OD1-OG 2.65Å
646	C	93.8	Very high	88.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.			trans	-124.9	45.3	-174.7	-55.5	0	0	0	0	109.7	C580 L584 T635 F637	C580-C646 VanDerWaalsContact CA-SG 3.57Å; C580-C646 HydrophobicContact CB-CB 3.5Å; C580-C646 WeakPolarHBondContact CB-SG 3.36Å; C580-C646 VanDerWaalsContact SG-CA 3.54Å; C580-C646 WeakPolarHBondContact SG-CB 3.46Å; C580-C646 CovalentContact SG-SG 2.02Å; C580-C646 PolarHBondContact SG-SG 2.81Å; L584-C646 HydrophobicContact CD1-CB 3.81Å; T635-C646 CarbonylContact O-C 3Å; T635-C646 WeakPolarHBondContact O-CA 3.11Å; T635-C646 PolarHBondContact O-N 3.27Å; F637-C646 HydrophobicContact CD2-CB 4.28Å; F637-C646 HydrophobicContact CE2-CB 4.27Å
647	S	92.8	Very high	88.9	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.035	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-89.4	143.7	-172.9	-59.9	0	0	0	0	111.3	C616 T633 P634 T635 D645	C616-S647 PolarHBondContact N-O 3Å; C616-S647 PolarHBondContact O-N 2.79Å; T633-S647 WeakPolarHBondContact O-CA 3.37Å; P634-S647 WeakPolarHBondContact CA-OG 3.43Å; T635-S647 PolarHBondContact N-OG 3.02Å; D645-S647 WeakPolarHBondContact OD1-CB 3.43Å; D645-S647 PolarHBondContact OD1-N 2.91Å; D645-S647 PolarHBondContact OD1-OG 2.65Å
648	G	90.9	Very high	89.1	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	170.7	-179.4	0	0	0	0	0	111.3	T633	T633-G648 PolarHBondContact N-O 3.49Å; T633-G648 PolarHBondContact O-N 3.08Å
649	G	90.1	Very high	89.4	Confident	11 Å²	11	46.9 Å²	46.9	11%	0.113	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	151.3	178.6	0	0	0	0	0	111.1	G660	G649-G660 VanDerWaalsContact O-CA 3.24Å; G649-G660 WeakPolarHBondContact O-CA 3.4Å
650	H	90.7	Very high	89.8	Confident	18 Å²	18	44.8 Å²	44.8	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.1	175.7	-68.8	-78.2	0	0	0	109.3	W601 K629 D658 Y661	W601-H650 AromaticContact CH2-CE1 3.87Å; W601-H650 AromaticContact CH2-NE2 3.35Å; W601-H650 WeakPolarHBondContact CH2-NE2 3.47Å; W601-H650 AromaticContact CZ3-CE1 3.95Å; W601-H650 AromaticContact CZ3-NE2 3.8Å; K629-H650 HydrophobicContact CB-CB 4.12Å; K629-H650 PolarHBondContact N-O 3.48Å; H650-D658 IonicContact CE1-OD2 2.65Å; H650-D658 IonicContact CG-OD2 3.08Å; H650-D658 IonicContact ND1-OD1 3.91Å; H650-D658 IonicContact ND1-OD2 3.26Å; H650-D658 PolarHBondContact ND1-OD2 3.45Å; H650-Y661 AromaticContact CE1-CE2 3.73Å; H650-Y661 AromaticContact CE1-CZ 3.79Å; H650-Y661 AromaticContact ND1-CE2 3.92Å
651	V	91.4	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.9	179	179.9	0	0	0	0	107.2	L568 W569 P623 I625 M628 L659	L568-V651 HydrophobicContact CD2-CB 3.92Å; L568-V651 HydrophobicContact CD2-CG1 3.82Å; L568-V651 HydrophobicContact CD2-CG2 4.12Å; W569-V651 HydrophobicContact CH2-CG2 4.01Å; W569-V651 HydrophobicContact CZ2-CG2 3.96Å; P623-V651 HydrophobicContact CB-CG1 4.02Å; P623-V651 HydrophobicContact CB-CG2 3.91Å; P623-V651 HydrophobicContact CG-CG1 4.15Å; P623-V651 HydrophobicContact CG-CG2 4.21Å; I625-V651 WeakPolarHBondContact O-CG1 3.4Å; M628-V651 HydrophobicContact SD-CG2 3.64Å; V651-L659 HydrophobicContact CB-CB 4.37Å; V651-L659 PolarHBondContact O-N 3.41Å
652	L	91.1	Very high	90.7	Very high	39 Å²	39	34.1 Å²	34.1	20%	0.204	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.8	179.4	-64	-169.6	0	0	0	110.9	G626 M627 K629 T657 D658	G626-L652 CarbonylContact C-O 3.58Å; G626-L652 WeakPolarHBondContact CA-O 3.07Å; M627-L652 PolarHBondContact N-O 3.49Å; M627-L652 PolarHBondContact O-N 2.74Å; K629-L652 HydrophobicContact CB-CD1 4.19Å; K629-L652 HydrophobicContact CB-CG 4.08Å; K629-L652 HydrophobicContact CD-CD1 3.74Å; K629-L652 HydrophobicContact CD-CG 4.24Å; K629-L652 HydrophobicContact CG-CD1 4.42Å; L652-T657 WeakPolarHBondContact CA-O 3.35Å; L652-D658 HydrophobicContact CD2-CB 3.62Å
653	L	88.8	Confident	91	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	15%	0.145	C	C	.	.			trans	-77.8	170.8	160.1	-61.6	-176.2	0	0	0	110.4	F359 I625 D655 E656 T657 L659	F359-L653 HydrophobicContact CB-CD1 3.7Å; F359-L653 HydrophobicContact CD1-CD1 3.8Å; F359-L653 HydrophobicContact CG-CD1 3.84Å; I625-L653 HydrophobicContact CD1-CD2 3.71Å; I625-L653 HydrophobicContact CG1-CD2 3.57Å; L653-D655 VanDerWaalsContact CB-OD1 3.29Å; L653-D655 WeakPolarHBondContact CB-OD1 3.08Å; L653-D655 PolarHBondContact O-N 2.95Å; L653-E656 PolarHBondContact O-N 3.22Å; L653-E656 VanDerWaalsContact O-N 3.09Å; L653-T657 HydrophobicContact CD1-CG2 4.44Å; L653-T657 PolarHBondContact N-O 3.03Å; L653-L659 HydrophobicContact CD1-CD1 3.99Å; L653-L659 HydrophobicContact CD1-CD2 4.1Å; L653-L659 HydrophobicContact CD1-CG 4.17Å; L653-L659 HydrophobicContact CD2-CD1 3.69Å; L653-L659 HydrophobicContact CD2-CG 4.42Å; L653-L659 HydrophobicContact CG-CD1 3.78Å; L653-L659 HydrophobicContact CG-CD2 4.43Å; L653-L659 HydrophobicContact CG-CG 3.97Å
654	D	83.6	Confident	91.2	Very high	36 Å²	36	23.3 Å²	23.3	19%	0.193	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.9	-177.9	-59.9	-60	0	0	0	113.8	R353 W396 E656	R353-D654 IonicContact CZ-OD1 2.79Å; R353-D654 VanDerWaalsContact NH1-CB 3.34Å; R353-D654 IonicContact NH1-OD1 2.78Å; R353-D654 PolarHBondContact NH1-OD1 2.99Å; R353-D654 IonicContact NH1-OD2 3.39Å; R353-D654 IonicContact NH2-OD1 2.74Å; R353-D654 PolarHBondContact NH2-OD1 3.43Å; R353-D654 VanDerWaalsContact NH2-OD1 3.15Å; W396-D654 PolarHBondContact NE1-OD2 3.27Å; D654-E656 PolarHBondContact O-N 3.26Å
655	D	85.4	Confident	91.3	Very high	6 Å²	6	23 Å²	23	3%	0.032	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	13	176.1	66.5	-2.2	0	0	0	113.2	Y358 F359 R367 L653 T657	Y358-D655 VanDerWaalsContact CA-OD2 3.31Å; Y358-D655 WeakPolarHBondContact CA-OD2 3.2Å; Y358-D655 HydrophobicContact CD1-CB 3.91Å; Y358-D655 WeakPolarHBondContact CD1-OD2 3.31Å; F359-D655 PolarHBondContact N-OD2 3.04Å; R367-D655 IonicContact NH2-OD2 2.83Å; L653-D655 VanDerWaalsContact CB-OD1 3.29Å; L653-D655 WeakPolarHBondContact CB-OD1 3.08Å; L653-D655 PolarHBondContact O-N 2.95Å; D655-T657 PolarHBondContact O-N 3.41Å; D655-T657 WeakPolarHBondContact OD1-CB 3.36Å; D655-T657 PolarHBondContact OD1-N 3.1Å; D655-T657 PolarHBondContact OD1-OG1 2.95Å; D655-T657 PolarHBondContact OD2-OG1 2.58Å
656	E	86.9	Confident	91.5	Very high	105 Å²	105	21 Å²	21	49%	0.491	11%	0.113	S	C	.	.			trans	64.5	9.8	-172.3	-72	172.1	166.9	0	0	115.1	L320 K324 L653 D654 D658	L320-E656 HydrophobicContact CD1-CB 4.46Å; L320-E656 HydrophobicContact CD1-CG 3.52Å; L320-E656 WeakPolarHBondContact CD1-OE1 3.48Å; K324-E656 IonicContact NZ-OE2 2.8Å; K324-E656 PolarHBondContact NZ-OE2 3.41Å; L653-E656 PolarHBondContact O-N 3.22Å; L653-E656 VanDerWaalsContact O-N 3.09Å; D654-E656 PolarHBondContact O-N 3.26Å; E656-D658 PolarHBondContact O-N 3Å
657	T	89.4	Confident	91.6	Very high	35 Å²	35	22.1 Å²	22.1	22%	0.215	12%	0.12	C	C	.	.			trans	-63.6	121.9	172.5	-58.6	0	0	0	0	109.5	L652 L653 D655 L659	L652-T657 WeakPolarHBondContact CA-O 3.35Å; L653-T657 HydrophobicContact CD1-CG2 4.44Å; L653-T657 PolarHBondContact N-O 3.03Å; D655-T657 PolarHBondContact O-N 3.41Å; D655-T657 WeakPolarHBondContact OD1-CB 3.36Å; D655-T657 PolarHBondContact OD1-N 3.1Å; D655-T657 PolarHBondContact OD1-OG1 2.95Å; D655-T657 PolarHBondContact OD2-OG1 2.58Å; T657-L659 HydrophobicContact CG2-CD2 4.03Å
658	D	91.6	Very high	91.7	Very high	35 Å²	35	22.5 Å²	22.5	19%	0.187	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-93	103	178.8	-171	-5.7	0	0	0	110.8	H650 L652 E656 G660 Y661	H650-D658 IonicContact CE1-OD2 2.65Å; H650-D658 IonicContact CG-OD2 3.08Å; H650-D658 IonicContact ND1-OD1 3.91Å; H650-D658 IonicContact ND1-OD2 3.26Å; H650-D658 PolarHBondContact ND1-OD2 3.45Å; L652-D658 HydrophobicContact CD2-CB 3.62Å; E656-D658 PolarHBondContact O-N 3Å; D658-G660 PolarHBondContact O-N 3.24Å; D658-G660 WeakPolarHBondContact OD1-CA 3.43Å; D658-G660 PolarHBondContact OD1-N 3.13Å; D658-Y661 HydrophobicContact CB-CD2 4.13Å; D658-Y661 HydrophobicContact CB-CE2 4.45Å; D658-Y661 WeakPolarHBondContact OD2-CE2 3.18Å
659	L	92.4	Very high	91.8	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.063	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.9	176.7	-55.8	-178.1	0	0	0	112.8	Q564 Y567 L568 I625 V651 L653 T657 Y661	Q564-L659 PolarHBondContact NE2-O 2.96Å; Y567-L659 HydrophobicContact CE1-CD1 4.42Å; L568-L659 HydrophobicContact CD1-CB 4.11Å; L568-L659 VanDerWaalsContact CD1-O 3.28Å; L568-L659 WeakPolarHBondContact CD1-O 2.93Å; L568-L659 HydrophobicContact CD2-CB 3.55Å; L568-L659 HydrophobicContact CD2-CD1 3.64Å; L568-L659 HydrophobicContact CD2-CG 4.25Å; L568-L659 HydrophobicContact CG-CB 4.34Å; I625-L659 HydrophobicContact CG2-CD1 4.2Å; V651-L659 HydrophobicContact CB-CB 4.37Å; V651-L659 PolarHBondContact O-N 3.41Å; L653-L659 HydrophobicContact CD1-CD1 3.99Å; L653-L659 HydrophobicContact CD1-CD2 4.1Å; L653-L659 HydrophobicContact CD1-CG 4.17Å; L653-L659 HydrophobicContact CD2-CD1 3.69Å; L653-L659 HydrophobicContact CD2-CG 4.42Å; L653-L659 HydrophobicContact CG-CD1 3.78Å; L653-L659 HydrophobicContact CG-CD2 4.43Å; L653-L659 HydrophobicContact CG-CG 3.97Å; T657-L659 HydrophobicContact CG2-CD2 4.03Å; L659-Y661 PolarHBondContact O-N 3.04Å
660	G	93.2	Very high	91.8	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-2.6	171.9	0	0	0	0	0	114.3	L614 G649 D658	L614-G660 PolarHBondContact N-O 2.77Å; G649-G660 VanDerWaalsContact O-CA 3.24Å; G649-G660 WeakPolarHBondContact O-CA 3.4Å; D658-G660 PolarHBondContact O-N 3.24Å; D658-G660 WeakPolarHBondContact OD1-CA 3.43Å; D658-G660 PolarHBondContact OD1-N 3.13Å
661	Y	95.9	Very high	91.8	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.055	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-107.5	154.4	171.6	-69.5	-82.8	0	0	0	111.1	Q564 N593 G595 H650 D658 L659 E663 R677	Q564-Y661 PolarHBondContact NE2-O 2.9Å; N593-Y661 VanDerWaalsContact OD1-CE1 3.28Å; N593-Y661 WeakPolarHBondContact OD1-CE1 3.44Å; N593-Y661 VanDerWaalsContact OD1-CZ 3.31Å; N593-Y661 PolarHBondContact OD1-OH 3.17Å; G595-Y661 WeakPolarHBondContact CA-OH 3.41Å; H650-Y661 AromaticContact CE1-CE2 3.73Å; H650-Y661 AromaticContact CE1-CZ 3.79Å; H650-Y661 AromaticContact ND1-CE2 3.92Å; D658-Y661 HydrophobicContact CB-CD2 4.13Å; D658-Y661 HydrophobicContact CB-CE2 4.45Å; D658-Y661 WeakPolarHBondContact OD2-CE2 3.18Å; L659-Y661 PolarHBondContact O-N 3.04Å; Y661-E663 PolarHBondContact O-N 3.04Å; Y661-R677 VanDerWaalsContact CE1-NH1 3.34Å; Y661-R677 PolarHBondContact OH-NH1 3.29Å
662	V	96.9	Very high	91.9	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.4	127.4	174.6	175.8	0	0	0	0	109.9	R561 Y581 F610 G612 L614 T666 C674	R561-V662 HydrophobicContact CG-CG1 4.13Å; R561-V662 HydrophobicContact CG-CG2 4.16Å; Y581-V662 HydrophobicContact CE1-CG2 4.11Å; F610-V662 WeakPolarHBondContact O-CG2 3.16Å; G612-V662 PolarHBondContact O-N 2.82Å; L614-V662 HydrophobicContact CB-CG2 4.39Å; L614-V662 HydrophobicContact CD1-CG2 4.08Å; V662-T666 HydrophobicContact CG1-CG2 3.61Å; V662-C674 HydrophobicContact CG1-CB 4.49Å
663	E	94.9	Very high	92.1	Very high	45 Å²	45	30.1 Å²	30.1	21%	0.21	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-63.2	147.6	-179.3	-87.7	171.7	-156.3	0	0	113.1	K559 Q564 Y661 T666	K559-E663 WeakPolarHBondContact CD-OE2 3.01Å; K559-E663 WeakPolarHBondContact CE-OE2 3.44Å; K559-E663 IonicContact NZ-OE2 3.53Å; K559-E663 PolarHBondContact NZ-OE2 3.24Å; Q564-E663 HydrophobicContact CG-CG 4.42Å; Q564-E663 VanDerWaalsContact OE1-N 3.13Å; Y661-E663 PolarHBondContact O-N 3.04Å; E663-T666 WeakPolarHBondContact O-CB 3.32Å; E663-T666 PolarHBondContact O-N 2.9Å; E663-T666 PolarHBondContact O-OG1 3.33Å
664	D	93.3	Very high	92.4	Very high	52 Å²	52	29.5 Å²	29.5	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	147.2	170.8	-66.5	-24.6	0	0	0	111.3	Y554 T666 C674 L675 D676	Y554-D664 HydrophobicContact CE1-CB 3.98Å; D664-T666 PolarHBondContact O-N 3.28Å; D664-C674 CarbonylContact C-O 3.49Å; D664-C674 WeakPolarHBondContact CA-O 3.49Å; D664-L675 HydrophobicContact CB-CD1 4.2Å; D664-L675 VanDerWaalsContact OD1-CA 3.3Å; D664-L675 WeakPolarHBondContact OD1-CA 3.36Å; D664-D676 PolarHBondContact OD1-N 3.46Å
665	G	93	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-14	-172.1	0	0	0	0	0	114.5	R552 C674	R552-G665 WeakPolarHBondContact CB-O 3.25Å; G665-C674 PolarHBondContact N-O 3.09Å
666	T	95.9	Very high	93.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	20%	0.204	C	C	.	.			trans	-66.2	135.8	-180	-58.9	0	0	0	0	111.9	R561 V662 E663 D664 C668 M673 C674	R561-T666 HydrophobicContact CG-CG2 3.78Å; V662-T666 HydrophobicContact CG1-CG2 3.61Å; E663-T666 WeakPolarHBondContact O-CB 3.32Å; E663-T666 PolarHBondContact O-N 2.9Å; E663-T666 PolarHBondContact O-OG1 3.33Å; D664-T666 PolarHBondContact O-N 3.28Å; T666-C668 PolarHBondContact O-N 3.39Å; T666-M673 CarbonylContact O-C 3.45Å; T666-M673 VanDerWaalsContact O-CA 3.29Å; T666-M673 WeakPolarHBondContact O-CA 3.4Å; T666-C674 PolarHBondContact O-N 2.72Å; T666-C674 PolarHBondContact O-SG 3.19Å
667	P	95.6	Very high	93.5	Very high	22 Å²	22	34.6 Å²	34.6	14%	0.143	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126	179.1	24.3	-33.4	0	0	0	112.9	Q550 R552 K559	Q550-P667 WeakPolarHBondContact O-CG 3.41Å; R552-P667 HydrophobicContact CG-CB 4.07Å; R552-P667 HydrophobicContact CG-CG 4.36Å; K559-P667 WeakPolarHBondContact O-CD 3.03Å
668	C	95.2	Very high	93.8	Very high	14 Å²	14	38.8 Å²	38.8	10%	0.095	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-9.3	175.2	60.4	0	0	0	0	113.4	F610 C611 T666 M672 C679	F610-C668 HydrophobicContact CB-CB 4Å; C611-C668 VanDerWaalsContact SG-CB 3.5Å; T666-C668 PolarHBondContact O-N 3.39Å; C668-M672 PolarHBondContact N-O 3.23Å; C668-C679 HydrophobicContact CB-CB 3.73Å; C668-C679 WeakPolarHBondContact CB-SG 3.34Å; C668-C679 WeakPolarHBondContact SG-CA 3.31Å; C668-C679 WeakPolarHBondContact SG-CB 3.43Å; C668-C679 CovalentContact SG-SG 2.02Å; C668-C679 PolarHBondContact SG-SG 3.01Å
669	G	92.3	Very high	94	Very high	22 Å²	22	37.3 Å²	37.3	23%	0.227	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	177.9	178	0	0	0	0	0	113.1	S671 M672	G669-S671 PolarHBondContact O-N 2.59Å; G669-M672 PolarHBondContact O-N 3.26Å; G669-M672 VanDerWaalsContact O-N 3.15Å
670	P	90.9	Very high	94.2	Very high	122 Å²	122	39.2 Å²	39.2	79%	0.792	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	119.4	173.8	-19.4	32.4	0	0	0	110.5	M672	P670-M672 VanDerWaalsContact O-CG 3.3Å; P670-M672 WeakPolarHBondContact O-CG 3.27Å; P670-M672 PolarHBondContact O-N 3.38Å
671	S	89.8	Confident	94.2	Very high	60 Å²	60	41.6 Å²	41.6	42%	0.42	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.1	-174.3	-54.2	0	0	0	0	114.9	R552 G669 I682	R552-S671 VanDerWaalsContact NH2-N 3.15Å; G669-S671 PolarHBondContact O-N 2.59Å; S671-I682 WeakPolarHBondContact O-CG1 3.47Å; S671-I682 PolarHBondContact O-N 3.39Å
672	M	93.4	Very high	93.9	Very high	29 Å²	29	42 Å²	42	14%	0.143	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.6	177.3	-46.6	-168.6	76.7	0	0	111.2	R552 H607 C668 G669 P670 L680 P681	R552-M672 PolarHBondContact NE-O 3.17Å; R552-M672 VanDerWaalsContact NE-O 3.1Å; H607-M672 WeakPolarHBondContact CE1-CE 3.45Å; H607-M672 VanDerWaalsContact CE1-SD 3.52Å; H607-M672 WeakPolarHBondContact NE2-CE 3.39Å; C668-M672 PolarHBondContact N-O 3.23Å; G669-M672 PolarHBondContact O-N 3.26Å; G669-M672 VanDerWaalsContact O-N 3.15Å; P670-M672 VanDerWaalsContact O-CG 3.3Å; P670-M672 WeakPolarHBondContact O-CG 3.27Å; P670-M672 PolarHBondContact O-N 3.38Å; M672-L680 CarbonylContact C-O 3.48Å; M672-L680 VanDerWaalsContact CA-O 3.23Å; M672-L680 WeakPolarHBondContact CA-O 3.3Å; M672-L680 WeakPolarHBondContact CB-O 3.32Å; M672-P681 HydrophobicContact CE-CB 4.39Å; M672-P681 HydrophobicContact CE-CG 3.76Å
673	M	95	Very high	93.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.4	176.3	70.7	-164.6	-134.1	0	0	111.7	Y554 T666 L680 I682 L685	Y554-M673 HydrophobicContact CD2-CE 3.59Å; Y554-M673 HydrophobicContact CE2-CE 3.58Å; T666-M673 CarbonylContact O-C 3.45Å; T666-M673 VanDerWaalsContact O-CA 3.29Å; T666-M673 WeakPolarHBondContact O-CA 3.4Å; M673-L680 PolarHBondContact N-O 3.04Å; M673-L680 PolarHBondContact O-N 2.82Å; M673-I682 HydrophobicContact CG-CG1 4.33Å; M673-I682 HydrophobicContact SD-CG1 4.06Å; M673-L685 HydrophobicContact CE-CD1 3.12Å; M673-L685 HydrophobicContact CE-CD2 4.48Å; M673-L685 HydrophobicContact CE-CG 4.4Å; M673-L685 HydrophobicContact CG-CD1 3.89Å; M673-L685 HydrophobicContact SD-CD1 3.46Å; M673-L685 WeakPolarHBondContact SD-CD1 3.15Å
674	C	95.9	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.1	176.4	-61.4	0	0	0	0	110.6	C611 V662 D664 G665 T666 K678	C611-C674 WeakPolarHBondContact CA-SG 3.3Å; C611-C674 HydrophobicContact CB-CB 3.7Å; C611-C674 WeakPolarHBondContact CB-SG 3.27Å; C611-C674 WeakPolarHBondContact SG-CA 3.41Å; C611-C674 WeakPolarHBondContact SG-CB 3.43Å; C611-C674 CovalentContact SG-SG 2.04Å; C611-C674 PolarHBondContact SG-SG 2.98Å; V662-C674 HydrophobicContact CG1-CB 4.49Å; D664-C674 CarbonylContact C-O 3.49Å; D664-C674 WeakPolarHBondContact CA-O 3.49Å; G665-C674 PolarHBondContact N-O 3.09Å; T666-C674 PolarHBondContact O-N 2.72Å; T666-C674 PolarHBondContact O-SG 3.19Å; C674-K678 CarbonylContact C-O 3.57Å; C674-K678 VanDerWaalsContact CA-O 3.29Å; C674-K678 WeakPolarHBondContact CA-O 3.31Å
675	L	93.2	Very high	92.1	Very high	42 Å²	42	48.5 Å²	48.5	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	128.2	165.5	-168.1	79.3	0	0	0	108.1	D664 R677 K678 L680 L685	D664-L675 HydrophobicContact CB-CD1 4.2Å; D664-L675 VanDerWaalsContact OD1-CA 3.3Å; D664-L675 WeakPolarHBondContact OD1-CA 3.36Å; L675-R677 PolarHBondContact O-N 3.03Å; L675-K678 PolarHBondContact N-O 3.29Å; L675-K678 PolarHBondContact O-N 3.1Å; L675-L680 HydrophobicContact CB-CD1 4.03Å; L675-L680 HydrophobicContact CD2-CD1 4.22Å; L675-L685 HydrophobicContact CB-CD2 4.36Å; L675-L685 HydrophobicContact CD2-CD2 3.71Å
676	D	91.3	Very high	91.5	Very high	127 Å²	127	55.8 Å²	55.8	68%	0.679	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.8	-178.5	-71.2	-38	0	0	0	112	D664 K678	D664-D676 PolarHBondContact OD1-N 3.46Å; D676-K678 PolarHBondContact O-N 2.98Å; D676-K678 VanDerWaalsContact O-N 3.16Å
677	R	94.4	Very high	90.8	Very high	85 Å²	85	58.8 Å²	58.8	32%	0.321	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	15.4	179.6	-49	170	-167.9	-149.9	-5.3	114.8	C594 C611 Y661 L675	C594-R677 WeakPolarHBondContact O-CD 3.42Å; C611-R677 VanDerWaalsContact CB-C 3.49Å; C611-R677 WeakPolarHBondContact CB-O 3.24Å; C611-R677 WeakPolarHBondContact O-CA 3.3Å; Y661-R677 VanDerWaalsContact CE1-NH1 3.34Å; Y661-R677 PolarHBondContact OH-NH1 3.29Å; L675-R677 PolarHBondContact O-N 3.03Å
678	K	95.6	Very high	90.3	Very high	122 Å²	122	61.8 Å²	61.8	53%	0.53	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146	174.6	-66.9	-179	179.9	175.3	0	110.9	D608 C674 L675 D676 L680	D608-K678 WeakPolarHBondContact OD1-CA 3.03Å; C674-K678 CarbonylContact C-O 3.57Å; C674-K678 VanDerWaalsContact CA-O 3.29Å; C674-K678 WeakPolarHBondContact CA-O 3.31Å; L675-K678 PolarHBondContact N-O 3.29Å; L675-K678 PolarHBondContact O-N 3.1Å; D676-K678 PolarHBondContact O-N 2.98Å; D676-K678 VanDerWaalsContact O-N 3.16Å; K678-L680 HydrophobicContact CB-CD2 4.01Å; K678-L680 HydrophobicContact CB-CG 4.18Å; K678-L680 PolarHBondContact O-N 3.18Å
679	C	96.4	Very high	89.9	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.034	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.3	175.1	-176.5	0	0	0	0	109.9	H607 D608 C668	H607-C679 PolarHBondContact CE1-O 2.95Å; H607-C679 VanDerWaalsContact CE1-SG 3.55Å; H607-C679 WeakPolarHBondContact ND1-CB 3.44Å; H607-C679 VanDerWaalsContact O-CB 3.27Å; H607-C679 WeakPolarHBondContact O-CB 3.41Å; D608-C679 PolarHBondContact OD1-N 3.25Å; C668-C679 HydrophobicContact CB-CB 3.73Å; C668-C679 WeakPolarHBondContact CB-SG 3.34Å; C668-C679 WeakPolarHBondContact SG-CA 3.31Å; C668-C679 WeakPolarHBondContact SG-CB 3.43Å; C668-C679 CovalentContact SG-SG 2.02Å; C668-C679 PolarHBondContact SG-SG 3.01Å
680	L	95.1	Very high	89.9	Confident	52 Å²	52	64.8 Å²	64.8	27%	0.272	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.3	-174.1	-58.6	-175.9	0	0	0	111.7	M672 M673 L675 K678 L685	M672-L680 CarbonylContact C-O 3.48Å; M672-L680 VanDerWaalsContact CA-O 3.23Å; M672-L680 WeakPolarHBondContact CA-O 3.3Å; M672-L680 WeakPolarHBondContact CB-O 3.32Å; M673-L680 PolarHBondContact N-O 3.04Å; M673-L680 PolarHBondContact O-N 2.82Å; L675-L680 HydrophobicContact CB-CD1 4.03Å; L675-L680 HydrophobicContact CD2-CD1 4.22Å; K678-L680 HydrophobicContact CB-CD2 4.01Å; K678-L680 HydrophobicContact CB-CG 4.18Å; K678-L680 PolarHBondContact O-N 3.18Å; L680-L685 HydrophobicContact CD1-CD2 4.44Å
681	P	94	Very high	90.1	Very high	52 Å²	52	61.2 Å²	61.2	34%	0.338	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	137.4	168.5	-17.7	28.3	0	0	0	110.5	M672 Q683 S684	M672-P681 HydrophobicContact CE-CB 4.39Å; M672-P681 HydrophobicContact CE-CG 3.76Å; P681-Q683 PolarHBondContact O-N 2.58Å; P681-Q683 VanDerWaalsContact O-N 3.15Å; P681-S684 WeakPolarHBondContact O-CB 3.33Å; P681-S684 PolarHBondContact O-N 3.19Å; P681-S684 PolarHBondContact O-OG 3.02Å
682	I	89.5	Confident	90.2	Very high	22 Å²	22	61.4 Å²	61.4	11%	0.113	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36	179.3	-68.2	171.3	0	0	0	111.2	R552 S671 M673 S684 L685 M687	R552-I682 VanDerWaalsContact CZ-CD1 3.47Å; S671-I682 WeakPolarHBondContact O-CG1 3.47Å; S671-I682 PolarHBondContact O-N 3.39Å; M673-I682 HydrophobicContact CG-CG1 4.33Å; M673-I682 HydrophobicContact SD-CG1 4.06Å; I682-S684 PolarHBondContact O-N 2.79Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 3.19Å; I682-M687 HydrophobicContact CG2-CE 3.29Å
683	Q	84.8	Confident	89.9	Confident	144 Å²	144	60.4 Å²	60.4	67%	0.673	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65	-19.8	179	-61.8	78.5	18.5	0	0	113.7	P681 L685	P681-Q683 PolarHBondContact O-N 2.58Å; P681-Q683 VanDerWaalsContact O-N 3.15Å; Q683-L685 VanDerWaalsContact C-N 3.32Å
684	S	85.3	Confident	89.4	Confident	58 Å²	58	65.8 Å²	65.8	41%	0.406	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-83.8	-5.9	179.6	67.6	0	0	0	0	114.1	P681 I682 N686	P681-S684 WeakPolarHBondContact O-CB 3.33Å; P681-S684 PolarHBondContact O-N 3.19Å; P681-S684 PolarHBondContact O-OG 3.02Å; I682-S684 PolarHBondContact O-N 2.79Å; S684-N686 PolarHBondContact O-N 3.34Å
685	L	77.7	Confident	89	Confident	37 Å²	37	72.1 Å²	72.1	19%	0.194	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-82.4	5.9	-174.6	-61.3	169.5	0	0	0	113.8	M673 L675 L680 I682 Q683 M687	M673-L685 HydrophobicContact CE-CD1 3.12Å; M673-L685 HydrophobicContact CE-CD2 4.48Å; M673-L685 HydrophobicContact CE-CG 4.4Å; M673-L685 HydrophobicContact CG-CD1 3.89Å; M673-L685 HydrophobicContact SD-CD1 3.46Å; M673-L685 WeakPolarHBondContact SD-CD1 3.15Å; L675-L685 HydrophobicContact CB-CD2 4.36Å; L675-L685 HydrophobicContact CD2-CD2 3.71Å; L680-L685 HydrophobicContact CD1-CD2 4.44Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 3.19Å; Q683-L685 VanDerWaalsContact C-N 3.32Å; L685-M687 HydrophobicContact CB-CE 4.38Å; L685-M687 HydrophobicContact CB-CG 4.06Å; L685-M687 HydrophobicContact CD1-CE 4.37Å; L685-M687 PolarHBondContact O-N 3.1Å; L685-M687 VanDerWaalsContact O-N 3.07Å
686	N	79.4	Confident	88.7	Confident	154 Å²	154	75.1 Å²	75.1	82%	0.824	44%	0.435	S	S	*	.			trans	49.1	34.5	179.1	-64.7	-26.6	0	0	0	114	S684	S684-N686 PolarHBondContact O-N 3.34Å
687	M	82.2	Confident	88.7	Confident	63 Å²	63	73.6 Å²	73.6	31%	0.31	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-69.4	139.6	177	-61.5	179.5	-70.4	0	0	110.3	D542 I682 L685 A689	D542-M687 HydrophobicContact CB-SD 3.91Å; I682-M687 HydrophobicContact CG2-CE 3.29Å; L685-M687 HydrophobicContact CB-CE 4.38Å; L685-M687 HydrophobicContact CB-CG 4.06Å; L685-M687 HydrophobicContact CD1-CE 4.37Å; L685-M687 PolarHBondContact O-N 3.1Å; L685-M687 VanDerWaalsContact O-N 3.07Å; M687-A689 PolarHBondContact O-N 2.99Å
688	S	85.8	Confident	88.6	Confident	85 Å²	85	73.1 Å²	73.1	59%	0.594	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-57.8	127	174.5	-63.2	0	0	0	0	110.4	Q541 A709	Q541-S688 PolarHBondContact NE2-O 2.78Å; S688-A709 VanDerWaalsContact CB-CB 3.47Å
689	A	86.9	Confident	88.6	Confident	92 Å²	92	67.3 Å²	67.3	76%	0.76	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-78.6	134	-179.1	0	0	0	0	0	110.9	M687	M687-A689 PolarHBondContact O-N 2.99Å
690	C	91.9	Very high	88.5	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.054	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-68.4	155.9	169.7	-88.9	0	0	0	0	112.3	S692 V698 C705 T710	C690-S692 PolarHBondContact O-N 2.6Å; C690-V698 HydrophobicContact CB-CG1 3.75Å; C690-C705 HydrophobicContact CB-CB 3.71Å; C690-C705 WeakPolarHBondContact CB-SG 3.23Å; C690-C705 WeakPolarHBondContact SG-CA 3.15Å; C690-C705 WeakPolarHBondContact SG-CB 3.19Å; C690-C705 CovalentContact SG-SG 2.01Å; C690-C705 PolarHBondContact SG-SG 3.22Å; C690-T710 PolarHBondContact SG-O 2.92Å; C690-T710 VanDerWaalsContact SG-O 3.34Å
691	P	93.7	Very high	88.4	Confident	47 Å²	47	68 Å²	68	31%	0.305	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-51	136.7	170.7	-26.9	35.9	0	0	0	111.9	C699 T720 D721	P691-C699 PolarHBondContact O-N 3.12Å; P691-T720 WeakPolarHBondContact CB-O 3.32Å; P691-T720 WeakPolarHBondContact CG-O 3.35Å; P691-D721 HydrophobicContact CB-CB 3.87Å
692	S	92	Very high	88.3	Confident	63 Å²	63	68.3 Å²	68.3	44%	0.441	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-119	134.2	176.9	-63.6	0	0	0	0	109.1	C690 Q697	C690-S692 PolarHBondContact O-N 2.6Å; S692-Q697 WeakPolarHBondContact CA-O 3.23Å
693	G	87.6	Confident	88.5	Confident	9 Å²	9	68 Å²	68	9%	0.093	42%	0.417	C	S	.	.			trans	-74.6	-174	-178.9	0	0	0	0	0	113.6	N695 S696 Q697 S700 D721	G693-N695 PolarHBondContact O-N 2.9Å; G693-S696 PolarHBondContact O-N 2.78Å; G693-Q697 PolarHBondContact N-O 2.81Å; G693-Q697 VanDerWaalsContact N-O 3.1Å; G693-S700 WeakPolarHBondContact CA-OG 3.22Å; G693-D721 WeakPolarHBondContact CA-OD2 3.09Å
694	P	84.1	Confident	88.9	Confident	115 Å²	115	63 Å²	63	75%	0.747	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.5	-176.4	-26.5	34.1	0	0	0	115.3
695	N	87.4	Confident	89.4	Confident	133 Å²	133	60.2 Å²	60.2	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	13.1	179.3	-64.2	-27.5	0	0	0	113.7	G693 Q697	G693-N695 PolarHBondContact O-N 2.9Å; N695-Q697 HydrophobicContact CB-CG 4.49Å; N695-Q697 PolarHBondContact O-N 2.8Å; N695-Q697 VanDerWaalsContact O-N 3.13Å
696	S	87.9	Confident	90.1	Very high	105 Å²	105	58.6 Å²	58.6	73%	0.734	37%	0.368	S	S	*	.	S	Bend	trans	57.4	23.4	-175.5	-55.5	0	0	0	0	114.2	G693	G693-S696 PolarHBondContact O-N 2.78Å
697	Q	91.4	Very high	90.6	Very high	95 Å²	95	54.2 Å²	54.2	44%	0.444	35%	0.345	S	S	.	.			trans	-90.2	129.3	172.2	-70.4	-179.4	-26.8	0	0	108.8	S692 G693 N695 C699 S700 A701	S692-Q697 WeakPolarHBondContact CA-O 3.23Å; G693-Q697 PolarHBondContact N-O 2.81Å; G693-Q697 VanDerWaalsContact N-O 3.1Å; N695-Q697 HydrophobicContact CB-CG 4.49Å; N695-Q697 PolarHBondContact O-N 2.8Å; N695-Q697 VanDerWaalsContact O-N 3.13Å; Q697-C699 PolarHBondContact O-N 3.13Å; Q697-S700 PolarHBondContact O-N 3.13Å; Q697-A701 HydrophobicContact CB-CB 4.37Å
698	V	91.9	Very high	91	Very high	74 Å²	74	57.2 Å²	57.2	45%	0.448	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-56.6	127.5	174.5	178.6	0	0	0	0	108.5	C690 S700 A701 C705	C690-V698 HydrophobicContact CB-CG1 3.75Å; V698-S700 PolarHBondContact O-N 3.35Å; V698-S700 VanDerWaalsContact O-N 3.1Å; V698-A701 PolarHBondContact O-N 2.91Å; V698-A701 VanDerWaalsContact O-N 3.12Å; V698-C705 HydrophobicContact CG1-CB 3.98Å
699	C	94.8	Very high	91.3	Very high	0 Å²	0	54 Å²	54	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	50.3	33.6	-175.2	-51.6	0	0	0	0	113.6	P691 Q697 A701 H702 C711 D721 C722	P691-C699 PolarHBondContact O-N 3.12Å; Q697-C699 PolarHBondContact O-N 3.13Å; C699-A701 PolarHBondContact O-N 2.79Å; C699-H702 PolarHBondContact O-N 3.47Å; C699-C711 WeakPolarHBondContact CA-SG 3.15Å; C699-C711 HydrophobicContact CB-CB 3.7Å; C699-C711 WeakPolarHBondContact CB-SG 3.49Å; C699-C711 VanDerWaalsContact SG-CA 3.52Å; C699-C711 WeakPolarHBondContact SG-CB 3.12Å; C699-C711 CovalentContact SG-SG 2.04Å; C699-C711 PolarHBondContact SG-SG 3.18Å; C699-D721 CarbonylContact C-O 3.52Å; C699-D721 WeakPolarHBondContact CA-O 3.34Å; C699-C722 WeakPolarHBondContact O-CB 3.34Å
700	S	94.3	Very high	91.6	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.084	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	51.9	20.7	-178.1	-55.1	0	0	0	0	114.8	G693 Q697 V698 H702 D721 S723	G693-S700 WeakPolarHBondContact CA-OG 3.22Å; Q697-S700 PolarHBondContact O-N 3.13Å; V698-S700 PolarHBondContact O-N 3.35Å; V698-S700 VanDerWaalsContact O-N 3.1Å; S700-H702 PolarHBondContact O-CD2 2.74Å; S700-H702 PolarHBondContact O-N 3.35Å; S700-H702 PolarHBondContact O-NE2 2.92Å; S700-D721 VanDerWaalsContact CB-O 3.26Å; S700-D721 WeakPolarHBondContact CB-O 3.48Å; S700-D721 PolarHBondContact N-O 3.45Å; S700-D721 VanDerWaalsContact N-O 3.14Å; S700-D721 PolarHBondContact OG-O 3.39Å; S700-S723 WeakPolarHBondContact OG-CB 3.3Å
701	A	93	Very high	91.7	Very high	61 Å²	61	53.1 Å²	53.1	50%	0.504	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	55.8	22.8	-169.2	0	0	0	0	0	115	Q697 V698 C699	Q697-A701 HydrophobicContact CB-CB 4.37Å; V698-A701 PolarHBondContact O-N 2.91Å; V698-A701 VanDerWaalsContact O-N 3.12Å; C699-A701 PolarHBondContact O-N 2.79Å
702	H	93.8	Very high	91.7	Very high	58 Å²	58	53 Å²	53	27%	0.269	32%	0.321	S	S	.	.	S	Bend	trans	-124.3	27.1	-179.7	-63.7	-44.1	0	0	0	111.6	C699 S700 D714 W717 C722	C699-H702 PolarHBondContact O-N 3.47Å; S700-H702 PolarHBondContact O-CD2 2.74Å; S700-H702 PolarHBondContact O-N 3.35Å; S700-H702 PolarHBondContact O-NE2 2.92Å; H702-D714 PolarHBondContact O-N 2.81Å; H702-W717 HydrophobicContact CB-CB 4.05Å; H702-W717 HydrophobicContact CB-CD2 3.58Å; H702-W717 HydrophobicContact CB-CE3 4.11Å; H702-W717 HydrophobicContact CB-CG 3.52Å; H702-W717 AromaticContact CD2-CD2 3.62Å; H702-W717 AromaticContact CD2-CE2 3.55Å; H702-W717 AromaticContact CD2-CE3 3.55Å; H702-W717 AromaticContact CD2-CH2 3.38Å; H702-W717 WeakPolarHBondContact CD2-CH2 3.41Å; H702-W717 AromaticContact CD2-CZ2 3.46Å; H702-W717 VanDerWaalsContact CD2-CZ2 3.46Å; H702-W717 WeakPolarHBondContact CD2-CZ2 3.23Å; H702-W717 AromaticContact CD2-CZ3 3.42Å; H702-W717 VanDerWaalsContact CD2-CZ3 3.42Å; H702-W717 WeakPolarHBondContact CD2-CZ3 3.46Å; H702-W717 AromaticContact CE1-CE2 3.73Å; H702-W717 AromaticContact CE1-CH2 3.85Å; H702-W717 AromaticContact CE1-CZ2 3.35Å; H702-W717 WeakPolarHBondContact CE1-CZ2 3.39Å; H702-W717 AromaticContact CG-CD2 3.48Å; H702-W717 VanDerWaalsContact CG-CD2 3.48Å; H702-W717 AromaticContact CG-CE2 3.34Å; H702-W717 AromaticContact CG-CE3 3.88Å; H702-W717 AromaticContact CG-CG 3.93Å; H702-W717 AromaticContact CG-CZ2 3.69Å; H702-W717 AromaticContact CG-NE1 3.67Å; H702-W717 AromaticContact ND1-CE2 3.46Å; H702-W717 AromaticContact ND1-CZ2 3.62Å; H702-W717 AromaticContact ND1-NE1 3.54Å; H702-W717 AromaticContact NE2-CE2 3.8Å; H702-W717 AromaticContact NE2-CH2 3.23Å; H702-W717 WeakPolarHBondContact NE2-CH2 3.42Å; H702-W717 AromaticContact NE2-CZ2 3.25Å; H702-W717 VanDerWaalsContact NE2-CZ2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CZ2 3.08Å; H702-W717 AromaticContact NE2-CZ3 3.79Å; H702-C722 HydrophobicContact CB-CB 4.06Å; H702-C722 WeakPolarHBondContact CB-O 3.2Å
703	G	92.6	Very high	91.6	Very high	16 Å²	16	51.8 Å²	51.8	17%	0.165	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	178.9	-178.9	0	0	0	0	0	112	T712	G703-T712 CarbonylContact C-O 3.46Å; G703-T712 WeakPolarHBondContact CA-O 3.49Å
704	V	94.2	Very high	91.7	Very high	37 Å²	37	55.1 Å²	55.1	22%	0.224	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.7	-177.8	-178.2	0	0	0	0	109.2	I523 K540 Y544 N706 T712	I523-V704 HydrophobicContact CD1-CG1 4.17Å; I523-V704 HydrophobicContact CG1-CG1 4.48Å; K540-V704 HydrophobicContact CD-CG1 4.22Å; K540-V704 HydrophobicContact CG-CG1 3.81Å; Y544-V704 HydrophobicContact CE1-CG1 4.09Å; V704-N706 PolarHBondContact O-N 3.49Å; V704-T712 PolarHBondContact N-O 3.31Å; V704-T712 PolarHBondContact O-N 2.76Å
705	C	94.3	Very high	91.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.4	172.7	-179.1	0	0	0	0	109.6	Q541 Y544 C690 V698	Q541-C705 PolarHBondContact N-O 3Å; Q541-C705 PolarHBondContact OE1-SG 3.49Å; Y544-C705 HydrophobicContact CE2-CB 4.12Å; Y544-C705 WeakPolarHBondContact OH-CB 3.11Å; Y544-C705 PolarHBondContact OH-N 2.75Å; C690-C705 HydrophobicContact CB-CB 3.71Å; C690-C705 WeakPolarHBondContact CB-SG 3.23Å; C690-C705 WeakPolarHBondContact SG-CA 3.15Å; C690-C705 WeakPolarHBondContact SG-CB 3.19Å; C690-C705 CovalentContact SG-SG 2.01Å; C690-C705 PolarHBondContact SG-SG 3.22Å; V698-C705 HydrophobicContact CG1-CB 3.98Å
706	N	92.9	Very high	91.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.011	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-93.1	176.5	-178.7	63.3	34.9	0	0	0	112.4	I523 L538 H539 V704 E708 A709 T710 T712	I523-N706 HydrophobicContact CD1-CB 3.72Å; L538-N706 HydrophobicContact CB-CB 4.23Å; L538-N706 HydrophobicContact CD1-CB 4.46Å; H539-N706 CarbonylContact O-C 3.6Å; H539-N706 VanDerWaalsContact O-CA 3.23Å; H539-N706 WeakPolarHBondContact O-CA 3.18Å; V704-N706 PolarHBondContact O-N 3.49Å; N706-E708 PolarHBondContact O-N 3.43Å; N706-E708 PolarHBondContact OD1-N 2.91Å; N706-E708 VanDerWaalsContact OD1-N 3.12Å; N706-A709 PolarHBondContact O-N 3.46Å; N706-A709 PolarHBondContact OD1-N 3.04Å; N706-T710 PolarHBondContact N-O 3.08Å; N706-T710 PolarHBondContact ND2-O 2.68Å; N706-T710 PolarHBondContact ND2-OG1 2.89Å; N706-T710 PolarHBondContact OD1-N 3.08Å; N706-T710 PolarHBondContact OD1-O 2.96Å; N706-T710 VanDerWaalsContact OD1-O 3.08Å; N706-T710 PolarHBondContact OD1-OG1 3.37Å; N706-T712 PolarHBondContact ND2-OG1 3.09Å
707	N	90.7	Very high	91.6	Very high	62 Å²	62	48 Å²	48	33%	0.332	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.8	-178.4	61.9	-70.8	0	0	0	114.8	L538 H539 A709	L538-N707 WeakPolarHBondContact CD2-OD1 3.48Å; H539-N707 WeakPolarHBondContact CE1-CB 3.42Å; H539-N707 PolarHBondContact N-OD1 3.32Å; H539-N707 PolarHBondContact O-N 2.97Å; H539-N707 PolarHBondContact O-OD1 2.92Å; N707-A709 VanDerWaalsContact C-N 3.26Å
708	E	90.4	Very high	91.5	Very high	126 Å²	126	44.4 Å²	44.4	59%	0.589	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	6.8	174	-61	-172.6	159.4	0	0	112.8	L538 N706 T710	L538-E708 HydrophobicContact CD2-CG 3.86Å; N706-E708 PolarHBondContact O-N 3.43Å; N706-E708 PolarHBondContact OD1-N 2.91Å; N706-E708 VanDerWaalsContact OD1-N 3.12Å; E708-T710 PolarHBondContact O-N 3.3Å
709	A	91.7	Very high	91.3	Very high	18 Å²	18	42.2 Å²	42.2	15%	0.149	26%	0.255	C	S	.	.	S	Bend	trans	58.1	34.9	-173.3	0	0	0	0	0	113.3	S688 N706 N707	S688-A709 VanDerWaalsContact CB-CB 3.47Å; N706-A709 PolarHBondContact O-N 3.46Å; N706-A709 PolarHBondContact OD1-N 3.04Å; N707-A709 VanDerWaalsContact C-N 3.26Å
710	T	93.8	Very high	91.2	Very high	63 Å²	63	47.9 Å²	47.9	39%	0.387	29%	0.29	S	S	.	.			trans	-115.4	163.5	169.9	67.1	0	0	0	0	111.3	C690 N706 E708	C690-T710 PolarHBondContact SG-O 2.92Å; C690-T710 VanDerWaalsContact SG-O 3.34Å; N706-T710 PolarHBondContact N-O 3.08Å; N706-T710 PolarHBondContact ND2-O 2.68Å; N706-T710 PolarHBondContact ND2-OG1 2.89Å; N706-T710 PolarHBondContact OD1-N 3.08Å; N706-T710 PolarHBondContact OD1-O 2.96Å; N706-T710 VanDerWaalsContact OD1-O 3.08Å; N706-T710 PolarHBondContact OD1-OG1 3.37Å; E708-T710 PolarHBondContact O-N 3.3Å
711	C	93.9	Very high	91.1	Very high	19 Å²	19	48.6 Å²	48.6	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.6	-178.5	-71.3	0	0	0	0	111.4	C699 T720	C699-C711 WeakPolarHBondContact CA-SG 3.15Å; C699-C711 HydrophobicContact CB-CB 3.7Å; C699-C711 WeakPolarHBondContact CB-SG 3.49Å; C699-C711 VanDerWaalsContact SG-CA 3.52Å; C699-C711 WeakPolarHBondContact SG-CB 3.12Å; C699-C711 CovalentContact SG-SG 2.04Å; C699-C711 PolarHBondContact SG-SG 3.18Å; C711-T720 WeakPolarHBondContact CB-O 3.45Å
712	T	92.6	Very high	91.2	Very high	44 Å²	44	45.7 Å²	45.7	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	105	167.4	-49.1	0	0	0	0	108.3	I523 G703 V704 N706	I523-T712 HydrophobicContact CG2-CG2 3.97Å; G703-T712 CarbonylContact C-O 3.46Å; G703-T712 WeakPolarHBondContact CA-O 3.49Å; V704-T712 PolarHBondContact N-O 3.31Å; V704-T712 PolarHBondContact O-N 2.76Å; N706-T712 PolarHBondContact ND2-OG1 3.09Å
713	C	90.8	Very high	91.2	Very high	37 Å²	37	45 Å²	45	25%	0.25	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	150.4	-174	-54	0	0	0	0	113.1	W717 G719 C722	C713-W717 HydrophobicContact CB-CB 4.22Å; C713-W717 WeakPolarHBondContact CB-O 3.49Å; C713-G719 PolarHBondContact SG-O 2.95Å; C713-G719 VanDerWaalsContact SG-O 3.37Å; C713-C722 WeakPolarHBondContact CA-SG 3.17Å; C713-C722 HydrophobicContact CB-CB 3.78Å; C713-C722 WeakPolarHBondContact CB-SG 3.27Å; C713-C722 WeakPolarHBondContact SG-CA 3.46Å; C713-C722 WeakPolarHBondContact SG-CB 3.43Å; C713-C722 CovalentContact SG-SG 2.04Å; C713-C722 PolarHBondContact SG-SG 3.07Å
714	D	88.8	Confident	91.1	Very high	80 Å²	80	49.3 Å²	49.3	43%	0.428	29%	0.288	S	S	.	.			trans	-61.9	155.3	167.8	-67.7	-33.1	0	0	0	110.2	H702 T716 W717	H702-D714 PolarHBondContact O-N 2.81Å; D714-T716 PolarHBondContact O-N 2.96Å; D714-W717 PolarHBondContact O-N 3.2Å
715	T	82.2	Confident	90.9	Very high	86 Å²	86	52.1 Å²	52.1	53%	0.528	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.4	-169.9	53.3	0	0	0	0	116.4
716	T	86.7	Confident	90.4	Very high	60 Å²	60	55 Å²	55	37%	0.368	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	9.9	-179.4	52.7	0	0	0	0	112.8	D714 D726	D714-T716 PolarHBondContact O-N 2.96Å; T716-D726 CarbonylContact C-O 3.46Å; T716-D726 WeakPolarHBondContact CA-O 3.43Å; T716-D726 CarbonylContact O-C 3.5Å; T716-D726 PolarHBondContact O-N 3.11Å
717	W	89.9	Confident	89.7	Confident	56 Å²	56	59.1 Å²	59.1	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.9	-174.8	-65.1	91.1	0	0	0	111.4	H702 C713 D714 C722 M724 P725	H702-W717 HydrophobicContact CB-CB 4.05Å; H702-W717 HydrophobicContact CB-CD2 3.58Å; H702-W717 HydrophobicContact CB-CE3 4.11Å; H702-W717 HydrophobicContact CB-CG 3.52Å; H702-W717 AromaticContact CD2-CD2 3.62Å; H702-W717 AromaticContact CD2-CE2 3.55Å; H702-W717 AromaticContact CD2-CE3 3.55Å; H702-W717 AromaticContact CD2-CH2 3.38Å; H702-W717 WeakPolarHBondContact CD2-CH2 3.41Å; H702-W717 AromaticContact CD2-CZ2 3.46Å; H702-W717 VanDerWaalsContact CD2-CZ2 3.46Å; H702-W717 WeakPolarHBondContact CD2-CZ2 3.23Å; H702-W717 AromaticContact CD2-CZ3 3.42Å; H702-W717 VanDerWaalsContact CD2-CZ3 3.42Å; H702-W717 WeakPolarHBondContact CD2-CZ3 3.46Å; H702-W717 AromaticContact CE1-CE2 3.73Å; H702-W717 AromaticContact CE1-CH2 3.85Å; H702-W717 AromaticContact CE1-CZ2 3.35Å; H702-W717 WeakPolarHBondContact CE1-CZ2 3.39Å; H702-W717 AromaticContact CG-CD2 3.48Å; H702-W717 VanDerWaalsContact CG-CD2 3.48Å; H702-W717 AromaticContact CG-CE2 3.34Å; H702-W717 AromaticContact CG-CE3 3.88Å; H702-W717 AromaticContact CG-CG 3.93Å; H702-W717 AromaticContact CG-CZ2 3.69Å; H702-W717 AromaticContact CG-NE1 3.67Å; H702-W717 AromaticContact ND1-CE2 3.46Å; H702-W717 AromaticContact ND1-CZ2 3.62Å; H702-W717 AromaticContact ND1-NE1 3.54Å; H702-W717 AromaticContact NE2-CE2 3.8Å; H702-W717 AromaticContact NE2-CH2 3.23Å; H702-W717 WeakPolarHBondContact NE2-CH2 3.42Å; H702-W717 AromaticContact NE2-CZ2 3.25Å; H702-W717 VanDerWaalsContact NE2-CZ2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CZ2 3.08Å; H702-W717 AromaticContact NE2-CZ3 3.79Å; C713-W717 HydrophobicContact CB-CB 4.22Å; C713-W717 WeakPolarHBondContact CB-O 3.49Å; D714-W717 PolarHBondContact O-N 3.2Å; W717-C722 HydrophobicContact CB-CB 4.44Å; W717-C722 VanDerWaalsContact CE3-O 3.27Å; W717-M724 CarbonylContact C-O 3.46Å; W717-M724 WeakPolarHBondContact CA-O 3.22Å; W717-P725 HydrophobicContact CE3-CG 4.28Å; W717-P725 HydrophobicContact CH2-CG 4.03Å; W717-P725 HydrophobicContact CZ3-CB 4.43Å; W717-P725 HydrophobicContact CZ3-CG 3.71Å
718	A	88	Confident	88.7	Confident	21 Å²	21	60.7 Å²	60.7	17%	0.174	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	176.4	-178.5	0	0	0	0	0	111.2	C722 S723 M724 D726	A718-C722 CarbonylContact O-C 3.53Å; A718-C722 WeakPolarHBondContact O-CA 3.37Å; A718-S723 PolarHBondContact O-N 3.04Å; A718-M724 PolarHBondContact N-O 3.22Å; A718-M724 WeakPolarHBondContact O-CB 3.48Å; A718-M724 PolarHBondContact O-N 2.96Å; A718-M724 VanDerWaalsContact O-N 3.08Å; A718-D726 HydrophobicContact CB-CB 3.66Å
719	G	88.3	Confident	87.6	Confident	28 Å²	28	64.3 Å²	64.3	29%	0.289	38%	0.376	S	S	.	.	S	Bend	trans	95.9	162.1	-175.3	0	0	0	0	0	112.6	C713 D721 C722	C713-G719 PolarHBondContact SG-O 2.95Å; C713-G719 VanDerWaalsContact SG-O 3.37Å; G719-D721 PolarHBondContact O-N 2.83Å; G719-C722 PolarHBondContact O-N 3.14Å
720	T	91.7	Very high	86.2	Confident	118 Å²	118	72 Å²	72	72%	0.724	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.5	-177.2	52.4	0	0	0	0	113.1	P691 C711	P691-T720 WeakPolarHBondContact CB-O 3.32Å; P691-T720 WeakPolarHBondContact CG-O 3.35Å; C711-T720 WeakPolarHBondContact CB-O 3.45Å
721	D	93.4	Very high	84.4	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.144	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	10.3	178.6	68.4	-15.5	0	0	0	112.9	P691 G693 C699 S700 G719 S723	P691-D721 HydrophobicContact CB-CB 3.87Å; G693-D721 WeakPolarHBondContact CA-OD2 3.09Å; C699-D721 CarbonylContact C-O 3.52Å; C699-D721 WeakPolarHBondContact CA-O 3.34Å; S700-D721 VanDerWaalsContact CB-O 3.26Å; S700-D721 WeakPolarHBondContact CB-O 3.48Å; S700-D721 PolarHBondContact N-O 3.45Å; S700-D721 VanDerWaalsContact N-O 3.14Å; S700-D721 PolarHBondContact OG-O 3.39Å; G719-D721 PolarHBondContact O-N 2.83Å; D721-S723 VanDerWaalsContact CG-OG 3.28Å; D721-S723 PolarHBondContact O-N 3.34Å; D721-S723 VanDerWaalsContact OD1-CB 3.26Å; D721-S723 WeakPolarHBondContact OD1-CB 3.45Å; D721-S723 PolarHBondContact OD1-N 3.44Å; D721-S723 VanDerWaalsContact OD1-N 3.12Å; D721-S723 PolarHBondContact OD1-OG 2.93Å; D721-S723 WeakPolarHBondContact OD2-CB 3.33Å; D721-S723 PolarHBondContact OD2-OG 3.47Å
722	C	94.1	Very high	82.4	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	46%	0.456	C	S	.	.	S	Bend	trans	55	29.4	-176.1	-47.8	0	0	0	0	115	C699 H702 C713 W717 A718 G719	C699-C722 WeakPolarHBondContact O-CB 3.34Å; H702-C722 HydrophobicContact CB-CB 4.06Å; H702-C722 WeakPolarHBondContact CB-O 3.2Å; C713-C722 WeakPolarHBondContact CA-SG 3.17Å; C713-C722 HydrophobicContact CB-CB 3.78Å; C713-C722 WeakPolarHBondContact CB-SG 3.27Å; C713-C722 WeakPolarHBondContact SG-CA 3.46Å; C713-C722 WeakPolarHBondContact SG-CB 3.43Å; C713-C722 CovalentContact SG-SG 2.04Å; C713-C722 PolarHBondContact SG-SG 3.07Å; W717-C722 HydrophobicContact CB-CB 4.44Å; W717-C722 VanDerWaalsContact CE3-O 3.27Å; A718-C722 CarbonylContact O-C 3.53Å; A718-C722 WeakPolarHBondContact O-CA 3.37Å; G719-C722 PolarHBondContact O-N 3.14Å
723	S	93.6	Very high	80.4	Confident	44 Å²	44	81.3 Å²	81.3	31%	0.308	48%	0.478	S	S	.	.			trans	-85.3	-11.3	179.9	62.4	0	0	0	0	114.4	S700 A718 D721	S700-S723 WeakPolarHBondContact OG-CB 3.3Å; A718-S723 PolarHBondContact O-N 3.04Å; D721-S723 VanDerWaalsContact CG-OG 3.28Å; D721-S723 PolarHBondContact O-N 3.34Å; D721-S723 VanDerWaalsContact OD1-CB 3.26Å; D721-S723 WeakPolarHBondContact OD1-CB 3.45Å; D721-S723 PolarHBondContact OD1-N 3.44Å; D721-S723 VanDerWaalsContact OD1-N 3.12Å; D721-S723 PolarHBondContact OD1-OG 2.93Å; D721-S723 WeakPolarHBondContact OD2-CB 3.33Å; D721-S723 PolarHBondContact OD2-OG 3.47Å
724	M	91.7	Very high	78.4	Confident	106 Å²	106	84.2 Å²	84.2	52%	0.522	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.3	-174.6	-62.2	-172.2	-75.7	0	0	111.1	W717 A718 D726	W717-M724 CarbonylContact C-O 3.46Å; W717-M724 WeakPolarHBondContact CA-O 3.22Å; A718-M724 PolarHBondContact N-O 3.22Å; A718-M724 WeakPolarHBondContact O-CB 3.48Å; A718-M724 PolarHBondContact O-N 2.96Å; A718-M724 VanDerWaalsContact O-N 3.08Å; M724-D726 PolarHBondContact O-N 3.25Å
725	P	89.1	Confident	76.5	Confident	96 Å²	96	89.1 Å²	89.1	62%	0.623	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.8	170.4	-20.5	31.9	0	0	0	111.1	W717	W717-P725 HydrophobicContact CE3-CG 4.28Å; W717-P725 HydrophobicContact CH2-CG 4.03Å; W717-P725 HydrophobicContact CZ3-CB 4.43Å; W717-P725 HydrophobicContact CZ3-CG 3.71Å
726	D	83.3	Confident	74.8	Confident	63 Å²	63	92.5 Å²	92.5	34%	0.337	54%	0.541	S	S	.	.			trans	-136.3	70.2	178.4	-175.3	34.7	0	0	0	109.5	R510 T716 A718 M724	R510-D726 IonicContact CZ-OD2 3.3Å; R510-D726 IonicContact NE-OD2 3.32Å; R510-D726 IonicContact NH2-OD2 3.39Å; R510-D726 PolarHBondContact NH2-OD2 3Å; T716-D726 CarbonylContact C-O 3.46Å; T716-D726 WeakPolarHBondContact CA-O 3.43Å; T716-D726 CarbonylContact O-C 3.5Å; T716-D726 PolarHBondContact O-N 3.11Å; A718-D726 HydrophobicContact CB-CB 3.66Å; M724-D726 PolarHBondContact O-N 3.25Å
727	P	78.6	Confident	73	Confident	87 Å²	87	96.1 Å²	96.1	57%	0.565	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.7	179.8	27.2	-33.5	0	0	0	110.7	K729	P727-K729 PolarHBondContact O-N 2.9Å
728	P	70.1	Confident	71.5	Confident	95 Å²	95	96 Å²	96	62%	0.617	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-52.3	129.8	175.4	-22	29.1	0	0	0	110.2	E730	P728-E730 PolarHBondContact O-N 3.42Å; P728-E730 VanDerWaalsContact O-N 3.14Å
729	K	66.8	Low	69.6	Low	202 Å²	202	101.2 Å²	101.2	88%	0.878	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-59.1	121.4	173.4	-71.8	-179.4	-179.3	173.7	0	108.1	P727	P727-K729 PolarHBondContact O-N 2.9Å
730	E	62.3	Low	67.8	Low	180 Å²	180	107.4 Å²	107.4	84%	0.841	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-55	133	170.9	-71.9	-174.6	167.2	0	0	108.2	P728 A732	P728-E730 PolarHBondContact O-N 3.42Å; P728-E730 VanDerWaalsContact O-N 3.14Å; E730-A732 PolarHBondContact O-N 3.28Å
731	P	57.1	Low	66.2	Low	119 Å²	119	104.5 Å²	104.5	77%	0.773	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.3	132.5	172.6	22.5	-29.9	0	0	0	107.6
732	A	51.4	Low	64.2	Low	87 Å²	87	107.7 Å²	107.7	72%	0.719	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-50.1	134	175.5	0	0	0	0	0	108.2	E730 A734	E730-A732 PolarHBondContact O-N 3.28Å; A732-A734 PolarHBondContact O-N 2.96Å; A732-A734 VanDerWaalsContact O-N 3.13Å
733	P	49.8	Very low	62.4	Low	115 Å²	115	111.1 Å²	111.1	75%	0.747	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-51.7	128.8	176.1	20.7	-30.3	0	0	0	107.1	E735	P733-E735 PolarHBondContact O-N 3.14Å
734	A	49.1	Very low	60.6	Low	99 Å²	99	112.2 Å²	112.2	82%	0.818	67%	0.672	S	S	*	*			trans	-48.4	111.6	177.9	0	0	0	0	0	107.2	A732 D736	A732-A734 PolarHBondContact O-N 2.96Å; A732-A734 VanDerWaalsContact O-N 3.13Å; A734-D736 PolarHBondContact O-N 2.87Å
735	E	48.4	Very low	59	Low	183 Å²	183	111 Å²	111	86%	0.855	67%	0.67	S	S	*	*			trans	-57.8	114.5	168.9	-75	-170.4	161.3	0	0	104.7	P733 E737	P733-E735 PolarHBondContact O-N 3.14Å; E735-E737 PolarHBondContact O-N 2.79Å
736	D	47.5	Very low	57.4	Low	157 Å²	157	110.8 Å²	110.8	84%	0.84	66%	0.664	S	S	*	*			trans	-49.7	114	173.7	-156.2	1.7	0	0	0	105.3	A734 G738	A734-D736 PolarHBondContact O-N 2.87Å; D736-G738 PolarHBondContact O-N 2.96Å
737	E	49	Very low	56.4	Low	136 Å²	136	113.6 Å²	113.6	64%	0.636	68%	0.678	S	S	*	*			trans	-60.2	95	177.1	-82.5	-163.9	129.8	0	0	105.6	E735 K740	E735-E737 PolarHBondContact O-N 2.79Å; E737-K740 WeakPolarHBondContact OE2-CE 3.44Å; E737-K740 IonicContact OE2-NZ 3.41Å; E737-K740 PolarHBondContact OE2-NZ 2.62Å
738	G	57.4	Low	55.8	Low	53 Å²	53	114.1 Å²	114.1	55%	0.546	68%	0.676	S	S	.	*			trans	-46.5	147.5	173.4	0	0	0	0	0	108.5	D736 K740	D736-G738 PolarHBondContact O-N 2.96Å; G738-K740 PolarHBondContact O-N 2.96Å
739	P	47.9	Very low	55.8	Low	131 Å²	131	114.6 Å²	114.6	85%	0.851	67%	0.672	S	S	*	*			trans	-46	113.2	-158.2	18.3	-31.8	0	0	0	110.7	G741	P739-G741 PolarHBondContact O-N 2.69Å
740	K	50.8	Low	56.1	Low	157 Å²	157	107 Å²	107	68%	0.683	65%	0.651	S	S	*	*			trans	-45.8	115.5	178.5	-72.7	-176	177.6	178.2	0	108.2	E737 G738	E737-K740 WeakPolarHBondContact OE2-CE 3.44Å; E737-K740 IonicContact OE2-NZ 3.41Å; E737-K740 PolarHBondContact OE2-NZ 2.62Å; G738-K740 PolarHBondContact O-N 2.96Å
741	G	58.8	Low	56.7	Low	57 Å²	57	102.2 Å²	102.2	59%	0.588	64%	0.637	S	S	*	*			trans	-48.7	147.1	170.9	0	0	0	0	0	109.3	P739 S743	P739-G741 PolarHBondContact O-N 2.69Å; G741-S743 PolarHBondContact O-N 2.96Å
742	P	50.7	Low	57.7	Low	95 Å²	95	101.1 Å²	101.1	62%	0.617	62%	0.624	S	S	*	*			trans	-53.4	115.5	-166	20.1	-31.2	0	0	0	110.3	N746	P742-N746 HydrophobicContact CB-CB 3.99Å
743	S	56.4	Low	59.1	Low	71 Å²	71	99.7 Å²	99.7	50%	0.497	61%	0.612	S	S	.	*			trans	-46.3	148	179.7	-178.2	0	0	0	0	111.1	G741 T745 N746	G741-S743 PolarHBondContact O-N 2.96Å; S743-T745 CarbonylContact O-C 3.37Å; S743-T745 PolarHBondContact O-N 2.73Å; S743-T745 PolarHBondContact OG-OG1 3.39Å; S743-N746 WeakPolarHBondContact O-CB 3.35Å; S743-N746 PolarHBondContact O-N 2.94Å
744	A	55.5	Low	60.5	Low	67 Å²	67	95.9 Å²	95.9	55%	0.554	59%	0.594	S	S	*	*	H	α-helix	trans	-49.8	-25.3	179.5	0	0	0	0	0	113.3	N746 L747 I748	A744-N746 PolarHBondContact O-N 2.81Å; A744-L747 PolarHBondContact O-N 2.78Å; A744-I748 WeakPolarHBondContact O-CD1 3.46Å; A744-I748 VanDerWaalsContact O-CG1 3.26Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 2.9Å
745	T	58.5	Low	62.1	Low	81 Å²	81	94.1 Å²	94.1	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-58.9	-39.3	169.6	13.4	0	0	0	0	113.8	S743 I748 I749	S743-T745 CarbonylContact O-C 3.37Å; S743-T745 PolarHBondContact O-N 2.73Å; S743-T745 PolarHBondContact OG-OG1 3.39Å; T745-I748 PolarHBondContact O-N 2.81Å; T745-I749 WeakPolarHBondContact O-CB 3.22Å; T745-I749 WeakPolarHBondContact O-CD1 3.4Å; T745-I749 WeakPolarHBondContact O-CG1 3.41Å; T745-I749 PolarHBondContact O-N 2.9Å
746	N	56.7	Low	63.8	Low	92 Å²	92	90.7 Å²	90.7	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-71.7	-32	177.2	-69.3	-20.9	0	0	0	112.3	P742 S743 A744 G750	P742-N746 HydrophobicContact CB-CB 3.99Å; S743-N746 WeakPolarHBondContact O-CB 3.35Å; S743-N746 PolarHBondContact O-N 2.94Å; A744-N746 PolarHBondContact O-N 2.81Å; N746-G750 PolarHBondContact O-N 2.94Å
747	L	61.6	Low	65.6	Low	121 Å²	121	88.7 Å²	88.7	63%	0.634	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-39	171.3	-97.3	153.4	0	0	0	111.8	A744 S751	A744-L747 PolarHBondContact O-N 2.78Å; L747-S751 WeakPolarHBondContact O-CB 3.4Å; L747-S751 PolarHBondContact O-N 3.13Å; L747-S751 PolarHBondContact O-OG 2.75Å
748	I	67.1	Low	67.2	Low	99 Å²	99	86.4 Å²	86.4	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-69	-45.1	175.8	-65.9	163.7	0	0	0	110.6	A744 T745 G750 S751 I752	A744-I748 WeakPolarHBondContact O-CD1 3.46Å; A744-I748 VanDerWaalsContact O-CG1 3.26Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 2.9Å; T745-I748 PolarHBondContact O-N 2.81Å; I748-G750 VanDerWaalsContact C-N 3.34Å; I748-G750 PolarHBondContact O-N 3.02Å; I748-S751 PolarHBondContact O-N 2.95Å; I748-I752 HydrophobicContact CG2-CD1 3.73Å; I748-I752 HydrophobicContact CG2-CG1 4.39Å; I748-I752 VanDerWaalsContact O-CG1 3.3Å; I748-I752 WeakPolarHBondContact O-CG1 3.3Å; I748-I752 PolarHBondContact O-N 2.91Å
749	I	69.7	Low	68.3	Low	104 Å²	104	86.2 Å²	86.2	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.2	-67.9	162.9	0	0	0	110.6	T745 S751 I752 A753	T745-I749 WeakPolarHBondContact O-CB 3.22Å; T745-I749 WeakPolarHBondContact O-CD1 3.4Å; T745-I749 WeakPolarHBondContact O-CG1 3.41Å; T745-I749 PolarHBondContact O-N 2.9Å; I749-S751 VanDerWaalsContact C-N 3.33Å; I749-S751 PolarHBondContact O-N 2.89Å; I749-I752 PolarHBondContact O-N 2.97Å; I749-A753 VanDerWaalsContact O-CB 3.28Å; I749-A753 WeakPolarHBondContact O-CB 3.46Å; I749-A753 PolarHBondContact O-N 3.25Å
750	G	71.8	Confident	69.9	Low	43 Å²	43	82.9 Å²	82.9	44%	0.443	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-40.3	175.3	0	0	0	0	0	112.8	N746 I748 G754	N746-G750 PolarHBondContact O-N 2.94Å; I748-G750 VanDerWaalsContact C-N 3.34Å; I748-G750 PolarHBondContact O-N 3.02Å; G750-G754 PolarHBondContact O-N 2.87Å
751	S	75.2	Confident	71.3	Confident	79 Å²	79	80.8 Å²	80.8	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-69.1	-40.5	178.3	-58	0	0	0	0	112.3	L747 I748 I749 G754 A755	L747-S751 WeakPolarHBondContact O-CB 3.4Å; L747-S751 PolarHBondContact O-N 3.13Å; L747-S751 PolarHBondContact O-OG 2.75Å; I748-S751 PolarHBondContact O-N 2.95Å; I749-S751 VanDerWaalsContact C-N 3.33Å; I749-S751 PolarHBondContact O-N 2.89Å; S751-G754 PolarHBondContact O-N 3Å; S751-A755 WeakPolarHBondContact O-CB 3.4Å; S751-A755 PolarHBondContact O-N 2.83Å
752	I	79.1	Confident	72.3	Confident	97 Å²	97	82.1 Å²	82.1	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-67.7	-45.2	176.1	-66.7	168.8	0	0	0	110.4	I748 I749 G754 A755 I756	I748-I752 HydrophobicContact CG2-CD1 3.73Å; I748-I752 HydrophobicContact CG2-CG1 4.39Å; I748-I752 VanDerWaalsContact O-CG1 3.3Å; I748-I752 WeakPolarHBondContact O-CG1 3.3Å; I748-I752 PolarHBondContact O-N 2.91Å; I749-I752 PolarHBondContact O-N 2.97Å; I752-G754 VanDerWaalsContact C-N 3.32Å; I752-G754 PolarHBondContact O-N 2.91Å; I752-A755 PolarHBondContact O-N 2.82Å; I752-I756 HydrophobicContact CG2-CD1 3.81Å; I752-I756 HydrophobicContact CG2-CG1 4.45Å; I752-I756 VanDerWaalsContact O-CG1 3.28Å; I752-I756 WeakPolarHBondContact O-CG1 3.49Å; I752-I756 PolarHBondContact O-N 3.43Å
753	A	79.5	Confident	73.4	Confident	56 Å²	56	83.5 Å²	83.5	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.2	0	0	0	0	0	111.6	I749 I756 L757	I749-A753 VanDerWaalsContact O-CB 3.28Å; I749-A753 WeakPolarHBondContact O-CB 3.46Å; I749-A753 PolarHBondContact O-N 3.25Å; A753-I756 PolarHBondContact O-N 2.77Å; A753-L757 WeakPolarHBondContact O-CB 3.41Å; A753-L757 PolarHBondContact O-N 3.19Å
754	G	79.8	Confident	74.1	Confident	36 Å²	36	82.4 Å²	82.4	37%	0.371	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-45.2	174.2	0	0	0	0	0	112.8	G750 S751 I752 I756 L757 V758	G750-G754 PolarHBondContact O-N 2.87Å; S751-G754 PolarHBondContact O-N 3Å; I752-G754 VanDerWaalsContact C-N 3.32Å; I752-G754 PolarHBondContact O-N 2.91Å; G754-I756 PolarHBondContact O-N 3.08Å; G754-L757 PolarHBondContact O-N 3.33Å; G754-V758 WeakPolarHBondContact O-CG2 3.29Å; G754-V758 PolarHBondContact O-N 2.93Å
755	A	83.4	Confident	74.8	Confident	62 Å²	62	81.3 Å²	81.3	51%	0.512	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.6	0	0	0	0	0	112.4	S751 I752 V758 A759	S751-A755 WeakPolarHBondContact O-CB 3.4Å; S751-A755 PolarHBondContact O-N 2.83Å; I752-A755 PolarHBondContact O-N 2.82Å; A755-V758 PolarHBondContact O-N 2.83Å; A755-A759 WeakPolarHBondContact O-CB 3.29Å; A755-A759 PolarHBondContact O-N 3.01Å
756	I	83.9	Confident	75.1	Confident	111 Å²	111	81.3 Å²	81.3	57%	0.569	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-42.1	176	-67.7	167.5	0	0	0	110.7	I752 A753 G754 A759 A760	I752-I756 HydrophobicContact CG2-CD1 3.81Å; I752-I756 HydrophobicContact CG2-CG1 4.45Å; I752-I756 VanDerWaalsContact O-CG1 3.28Å; I752-I756 WeakPolarHBondContact O-CG1 3.49Å; I752-I756 PolarHBondContact O-N 3.43Å; A753-I756 PolarHBondContact O-N 2.77Å; G754-I756 PolarHBondContact O-N 3.08Å; I756-A759 PolarHBondContact O-N 3.3Å; I756-A760 WeakPolarHBondContact O-CB 3.46Å; I756-A760 PolarHBondContact O-N 3.23Å
757	L	84.2	Confident	75.3	Confident	114 Å²	114	79.2 Å²	79.2	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-65.4	-42.4	179.8	-161	114.8	0	0	0	111.8	A753 G754 A760 I761	A753-L757 WeakPolarHBondContact O-CB 3.41Å; A753-L757 PolarHBondContact O-N 3.19Å; G754-L757 PolarHBondContact O-N 3.33Å; L757-A760 PolarHBondContact O-N 3.44Å; L757-I761 HydrophobicContact CD2-CD1 3.93Å; L757-I761 HydrophobicContact CG-CD1 4.5Å; L757-I761 WeakPolarHBondContact O-CG1 3.27Å; L757-I761 PolarHBondContact O-N 2.84Å
758	V	83.6	Confident	75.1	Confident	89 Å²	89	82.7 Å²	82.7	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-44.4	175.4	173.4	0	0	0	0	110.8	G754 A755 A760 I761 V762	G754-V758 WeakPolarHBondContact O-CG2 3.29Å; G754-V758 PolarHBondContact O-N 2.93Å; A755-V758 PolarHBondContact O-N 2.83Å; V758-A760 VanDerWaalsContact C-N 3.32Å; V758-A760 PolarHBondContact O-N 3.32Å; V758-I761 PolarHBondContact O-N 2.82Å; V758-V762 HydrophobicContact CG1-CG2 4.38Å; V758-V762 WeakPolarHBondContact O-CG2 3.48Å; V758-V762 PolarHBondContact O-N 2.81Å
759	A	80.6	Confident	74.5	Confident	48 Å²	48	79.8 Å²	79.8	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-60.5	-41.2	175.9	0	0	0	0	0	112	A755 I756 I761 V762 L763	A755-A759 WeakPolarHBondContact O-CB 3.29Å; A755-A759 PolarHBondContact O-N 3.01Å; I756-A759 PolarHBondContact O-N 3.3Å; A759-I761 PolarHBondContact O-N 3.12Å; A759-V762 PolarHBondContact O-N 2.76Å; A759-L763 WeakPolarHBondContact O-CB 3.33Å; A759-L763 VanDerWaalsContact O-CG 3.26Å; A759-L763 WeakPolarHBondContact O-CG 3.4Å; A759-L763 PolarHBondContact O-N 3.32Å
760	A	80.2	Confident	73.8	Confident	61 Å²	61	83.8 Å²	83.8	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-64.3	-38.7	176.3	0	0	0	0	0	112.6	I756 L757 V758 G764	I756-A760 WeakPolarHBondContact O-CB 3.46Å; I756-A760 PolarHBondContact O-N 3.23Å; L757-A760 PolarHBondContact O-N 3.44Å; V758-A760 VanDerWaalsContact C-N 3.32Å; V758-A760 PolarHBondContact O-N 3.32Å; A760-G764 WeakPolarHBondContact O-CA 3.46Å; A760-G764 PolarHBondContact O-N 2.64Å
761	I	81.5	Confident	72.9	Confident	113 Å²	113	90.4 Å²	90.4	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-43.2	175.5	-68.4	166.9	0	0	0	110.9	L757 V758 A759 G764 G765	L757-I761 HydrophobicContact CD2-CD1 3.93Å; L757-I761 HydrophobicContact CG-CD1 4.5Å; L757-I761 WeakPolarHBondContact O-CG1 3.27Å; L757-I761 PolarHBondContact O-N 2.84Å; V758-I761 PolarHBondContact O-N 2.82Å; A759-I761 PolarHBondContact O-N 3.12Å; I761-G764 PolarHBondContact O-N 2.67Å; I761-G765 PolarHBondContact O-N 3.17Å
762	V	79.3	Confident	71.8	Confident	85 Å²	85	92 Å²	92	52%	0.515	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-43.7	179	173.7	0	0	0	0	111	V758 A759 T766	V758-V762 HydrophobicContact CG1-CG2 4.38Å; V758-V762 WeakPolarHBondContact O-CG2 3.48Å; V758-V762 PolarHBondContact O-N 2.81Å; A759-V762 PolarHBondContact O-N 2.76Å; V762-T766 WeakPolarHBondContact O-CB 3.22Å; V762-T766 WeakPolarHBondContact O-CG2 3.43Å; V762-T766 PolarHBondContact O-N 2.87Å; V762-T766 PolarHBondContact O-OG1 3.11Å
763	L	74.6	Confident	70.5	Confident	125 Å²	125	93.3 Å²	93.3	65%	0.654	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-38.8	176.9	-68.7	172.1	0	0	0	112	A759 T766 G767	A759-L763 WeakPolarHBondContact O-CB 3.33Å; A759-L763 VanDerWaalsContact O-CG 3.26Å; A759-L763 WeakPolarHBondContact O-CG 3.4Å; A759-L763 PolarHBondContact O-N 3.32Å; L763-T766 WeakPolarHBondContact CA-OG1 3.36Å; L763-T766 PolarHBondContact O-OG1 3.35Å; L763-G767 PolarHBondContact O-N 2.98Å
764	G	71.5	Confident	68.9	Low	47 Å²	47	100.5 Å²	100.5	49%	0.485	58%	0.579	S	S	.	*	H	α-helix	trans	-65.7	-41.3	174	0	0	0	0	0	113	A760 I761 W768	A760-G764 WeakPolarHBondContact O-CA 3.46Å; A760-G764 PolarHBondContact O-N 2.64Å; I761-G764 PolarHBondContact O-N 2.67Å; G764-W768 WeakPolarHBondContact O-CB 3.44Å; G764-W768 PolarHBondContact O-N 2.93Å
765	G	68.3	Low	67.4	Low	45 Å²	45	107.8 Å²	107.8	46%	0.464	60%	0.601	S	S	.	*	H	α-helix	trans	-68.3	-41.4	178.1	0	0	0	0	0	113.1	I761 W768 G769	I761-G765 PolarHBondContact O-N 3.17Å; G765-W768 PolarHBondContact O-N 3.11Å; G765-G769 PolarHBondContact O-N 2.86Å; G765-G769 VanDerWaalsContact O-N 3.08Å
766	T	65.5	Low	65.6	Low	81 Å²	81	116.5 Å²	116.5	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-71.6	-33.3	176.1	51.6	0	0	0	0	112.4	V762 L763 F770	V762-T766 WeakPolarHBondContact O-CB 3.22Å; V762-T766 WeakPolarHBondContact O-CG2 3.43Å; V762-T766 PolarHBondContact O-N 2.87Å; V762-T766 PolarHBondContact O-OG1 3.11Å; L763-T766 WeakPolarHBondContact CA-OG1 3.36Å; L763-T766 PolarHBondContact O-OG1 3.35Å; T766-F770 PolarHBondContact O-N 3.43Å
767	G	61.3	Low	63.7	Low	47 Å²	47	123 Å²	123	49%	0.485	64%	0.638	S	S	.	*	H	α-helix	trans	-67.5	-34.1	172.1	0	0	0	0	0	114.2	L763	L763-G767 PolarHBondContact O-N 2.98Å
768	W	57.4	Low	61.6	Low	195 Å²	195	127.8 Å²	127.8	74%	0.739	65%	0.649	S	S	*	*	H	α-helix	trans	-77.5	-33.7	176.4	-161.9	57	0	0	0	112.6	G764 G765 K771	G764-W768 WeakPolarHBondContact O-CB 3.44Å; G764-W768 PolarHBondContact O-N 2.93Å; G765-W768 PolarHBondContact O-N 3.11Å; W768-K771 PolarHBondContact O-N 3.33Å
769	G	54	Low	59.9	Low	37 Å²	37	130.8 Å²	130.8	38%	0.381	66%	0.662	S	S	.	*	H	α-helix	trans	-64.6	-37.7	175.7	0	0	0	0	0	114	G765 K771 V773	G765-G769 PolarHBondContact O-N 2.86Å; G765-G769 VanDerWaalsContact O-N 3.08Å; G769-K771 VanDerWaalsContact C-N 3.34Å; G769-K771 PolarHBondContact O-N 3.42Å; G769-V773 WeakPolarHBondContact O-CG2 3.43Å
770	F	55.6	Low	58.4	Low	188 Å²	188	132.1 Å²	132.1	83%	0.825	67%	0.667	S	S	*	*	H	α-helix	trans	-73.9	-20.3	-179.1	-105	-86.5	0	0	0	114.4	T766	T766-F770 PolarHBondContact O-N 3.43Å
771	K	51.8	Low	56.9	Low	182 Å²	182	137 Å²	137	79%	0.791	68%	0.684	S	S	*	*	H	α-helix	trans	-85.2	-16.8	-178.3	-152.2	172.6	-177.1	178.3	0	113.6	W768 G769	W768-K771 PolarHBondContact O-N 3.33Å; G769-K771 VanDerWaalsContact C-N 3.34Å; G769-K771 PolarHBondContact O-N 3.42Å
772	N	52.1	Low	54.9	Low	112 Å²	112	137 Å²	137	60%	0.599	70%	0.701	S	S	*	*	S	Bend	trans	-105.7	-2	-175.5	-81.6	-27.3	0	0	0	115.6
773	V	51.9	Low	53.2	Low	126 Å²	126	138.1 Å²	138.1	76%	0.764	71%	0.713	S	S	*	*	S	Bend	trans	-99.2	-0.3	-174.5	175.2	0	0	0	0	114.6	G769	G769-V773 WeakPolarHBondContact O-CG2 3.43Å
774	K	45.7	Very low	51.7	Low	207 Å²	207	137 Å²	137	90%	0.9	72%	0.722	S	S	*	*	S	Bend	trans	-107	21.9	177.4	-96	-175.5	179.4	178.6	0	116.3
775	K	50	Low	50.1	Low	189 Å²	189	146.1 Å²	146.1	82%	0.822	76%	0.757	S	S	*	*			trans	-133	90.5	169.6	-93.9	-176.2	175.2	177.6	0	111.7
776	R	45	Very low	49.2	Very low	245 Å²	245	151.2 Å²	151.2	93%	0.925	77%	0.772	S	S	*	*			trans	167.2	83.3	152.2	-92.8	162.3	-168.9	-154.9	4.1	107.2
777	R	44.7	Very low	48.4	Very low	246 Å²	246	154.8 Å²	154.8	93%	0.928	79%	0.786	S	S	*	*				42	94.7	94	-81	-167.7	-171.5	176.1	2.8	114.7
778	Y	39.7	Very low	47.6	Very low	216 Å²	216	160.8 Å²	160.8	85%	0.847	80%	0.803	S	S	*	*				2.6	123.4	129.1	-158.5	-99.9	0	0	0	116.9	P780	Y778-P780 HydrophobicContact CD1-CG 4.43Å; Y778-P780 HydrophobicContact CE1-CB 3.99Å; Y778-P780 HydrophobicContact CE1-CG 4.06Å
779	D	48.3	Very low	47.1	Very low	151 Å²	151	158.8 Å²	158.8	81%	0.807	81%	0.807	S	S	*	*			trans	-132.2	120.1	164	-164.2	-6.2	0	0	0	108.6
780	P	48.2	Very low	46.6	Very low	76 Å²	76	166.4 Å²	166.4	49%	0.494	83%	0.833	S	S	.	*			trans	-98.6	101.1	-178.8	34.6	-24.4	0	0	0	110.4	Y778	Y778-P780 HydrophobicContact CD1-CG 4.43Å; Y778-P780 HydrophobicContact CE1-CB 3.99Å; Y778-P780 HydrophobicContact CE1-CG 4.06Å
781	N	48.1	Very low	46	Very low	163 Å²	163	165 Å²	165	87%	0.872	83%	0.834	S	S	*	*			trans	178.7	98.8	149.6	-96	-20.7	0	0	0	109.9
782	A	41.2	Very low	45.6	Very low	113 Å²	113	163.8 Å²	163.8	93%	0.934	84%	0.837	S	S	*	*			trans	-141.4	106.5	160.8	0	0	0	0	0	108.2
783	S	43.5	Very low	45.1	Very low	109 Å²	109	167.8 Å²	167.8	76%	0.762	86%	0.855	S	S	*	*			trans	-116.2	138.1	176.2	50.8	0	0	0	0	109.6
784	A	41.5	Very low	44.6	Very low	101 Å²	101	171.3 Å²	171.3	84%	0.835	86%	0.863	S	S	*	*			trans	64.7	130.2	166.3	0	0	0	0	0	115.4
785	I	39.2	Very low	44.5	Very low	239 Å²	239	168 Å²	168	100%	1.226	86%	0.859	S	S	*	*			cis	-139.8	0	34.1	-73.9	165	0	0	0	109.5

Retrieved 785 of 785 residues in 355.5 ms (Link to these results)

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