A0A087X9F3_POEFO Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A087X9F3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 645 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	32.6	Very low	33.2	Very low	245 Å²	245	164.6 Å²	164.6	100%	1.207	82%	0.822	S	S	*	*				0	116.4	0	-83.4	165.1	103.3	0	0	108.1
2	R	31.7	Very low	33	Very low	244 Å²	244	162.2 Å²	162.2	92%	0.921	81%	0.812	S	S	*	*			trans	55.4	115.5	163.2	-74.5	-179.6	168.4	167.9	-4.1	119.8
3	S	33.4	Very low	32.9	Very low	96 Å²	96	160.8 Å²	160.8	67%	0.671	81%	0.807	S	S	*	*				80.1	132.3	76.8	-118	0	0	0	0	110.8
4	D	38.5	Very low	32.8	Very low	134 Å²	134	159.4 Å²	159.4	72%	0.717	81%	0.81	S	S	*	*			cis	-160	135.5	40.4	-89.8	-45.7	0	0	0	110.6
5	S	35	Very low	32.3	Very low	96 Å²	96	153.1 Å²	153.1	67%	0.671	80%	0.8	S	S	*	*				76.9	110	88.3	-57.5	0	0	0	0	115.5
6	F	34.7	Very low	32	Very low	219 Å²	219	151.1 Å²	151.1	96%	0.961	80%	0.804	S	S	*	*			trans	-142.3	124.4	140.8	-107.2	-79.9	0	0	0	110.1
7	L	32	Very low	31.8	Very low	150 Å²	150	153.6 Å²	153.6	79%	0.785	81%	0.809	S	S	*	*			trans	-100.6	138.4	-176.3	-153.7	94.9	0	0	0	107.9
8	L	32.5	Very low	31.7	Very low	169 Å²	169	149.9 Å²	149.9	89%	0.885	80%	0.804	S	S	*	*			trans	-158	126.2	142.3	-111.1	143.8	0	0	0	111.3
9	L	32.9	Very low	31.4	Very low	127 Å²	127	148.6 Å²	148.6	67%	0.665	81%	0.808	S	S	*	*			trans	-104.7	141.3	-170.2	-164	91.7	0	0	0	107.5
10	F	30.4	Very low	31.2	Very low	205 Å²	205	149.1 Å²	149.1	90%	0.899	81%	0.81	S	S	*	*			trans	-154.1	129.5	148.4	-103.5	-73.6	0	0	0	111
11	L	31.9	Very low	31.9	Very low	126 Å²	126	147 Å²	147	66%	0.66	81%	0.805	S	S	*	*			trans	-127.3	138.6	-176.9	-100.9	157.7	0	0	0	109
12	L	30.6	Very low	31.7	Very low	135 Å²	135	140 Å²	140	71%	0.707	78%	0.779	S	S	*	*			trans	79.9	118.6	139.6	-58.8	166.8	0	0	0	124.7
13	I	32.1	Very low	31.7	Very low	145 Å²	145	135.5 Å²	135.5	74%	0.744	77%	0.774	S	S	*	*				58.1	142.3	120.9	-38.4	-179.1	0	0	0	122.9
14	V	30.7	Very low	31.3	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	78%	0.776	S	S	*	*			trans	96.3	135.2	149.3	-160.6	0	0	0	0	113.7
15	G	25.5	Very low	30.8	Very low	64 Å²	64	138.6 Å²	138.6	66%	0.66	78%	0.784	S	S	*	*			cis	154.2	145	2.6	0	0	0	0	0	110
16	S	28.4	Very low	30.4	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	79%	0.79	S	S	*	*			trans	73.7	147.8	149.4	-69.4	0	0	0	0	125.2
17	Q	28.5	Very low	30.6	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	78%	0.784	S	S	*	*			trans	89.2	143.4	157.8	-60.6	-167.1	-12.1	0	0	118.7
18	A	29.6	Very low	30.2	Very low	87 Å²	87	139.7 Å²	139.7	72%	0.719	79%	0.786	S	S	*	*			cis	164.2	137.9	-24.3	0	0	0	0	0	105.5
19	S	26	Very low	29.9	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	78%	0.779	S	S	*	*			trans	169.9	135.2	134.4	39.8	0	0	0	0	114
20	N	27.1	Very low	29.7	Very low	157 Å²	157	137.2 Å²	137.2	84%	0.84	79%	0.785	S	S	*	*			trans	-84.8	-168.3	179	-113.4	0.7	0	0	0	110.7
21	P	45.8	Very low	29.5	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	78%	0.78	S	S	*	*			cis	-152.8	177.7	26.8	40.1	-16.4	0	0	0	120.6
22	S	28.2	Very low	29.2	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	79%	0.791	S	S	*	*			trans	75.9	144.2	139.2	61.6	0	0	0	0	120.8
23	D	31.1	Very low	28.9	Very low	151 Å²	151	141 Å²	141	81%	0.807	80%	0.798	S	S	*	*			cis	-172.2	167.3	-11.1	-108.6	-31.5	0	0	0	112.6
24	S	26.3	Very low	29.3	Very low	102 Å²	102	139.4 Å²	139.4	71%	0.713	80%	0.798	S	S	*	*			trans	78	144.1	152	77.6	0	0	0	0	120.5
25	E	27.2	Very low	29	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	80%	0.801	S	S	*	*			cis	-164	164.4	-4.7	-121.6	175.6	157.5	0	0	110
26	Q	27.5	Very low	29	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	81%	0.809	S	S	*	*			trans	-69.2	-178.7	-179.6	-97.8	175.8	-0.2	0	0	114.8
27	P	37.6	Very low	28.9	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	80%	0.803	S	S	*	*			cis	-153.8	-167.6	35.9	40.9	-14.9	0	0	0	119.7
28	K	25.3	Very low	28.8	Very low	189 Å²	189	148.5 Å²	148.5	82%	0.822	80%	0.802	S	S	*	*			trans	-91.7	149.2	-169.1	-77.2	172.3	170	174.9	0	116.7
29	A	26.1	Very low	28.5	Very low	89 Å²	89	153.9 Å²	153.9	74%	0.736	81%	0.812	S	S	*	*				63.4	146.4	124.2	0	0	0	0	0	126.6
30	I	27.6	Very low	28.6	Very low	154 Å²	154	156.3 Å²	156.3	79%	0.79	81%	0.807	S	S	*	*			trans	105.3	106.1	146	-57.5	166	0	0	0	120.5
31	E	27	Very low	28.8	Very low	171 Å²	171	155 Å²	155	80%	0.799	81%	0.807	S	S	*	*				50	129.5	124.2	-148.1	169.8	-158.7	0	0	124.7
32	Q	24	Very low	27.8	Very low	189 Å²	189	157 Å²	157	88%	0.883	81%	0.805	S	S	*	*				166.2	144.1	124.3	-87.9	175.4	8.3	0	0	115
33	Q	25.4	Very low	27.7	Very low	185 Å²	185	160 Å²	160	86%	0.864	81%	0.806	S	S	*	*			trans	-76.1	-167.6	172.8	-88.7	-178.2	-16.8	0	0	113.3
34	P	41.1	Very low	27.8	Very low	112 Å²	112	158.7 Å²	158.7	73%	0.727	81%	0.806	S	S	*	*			cis	-137.6	-178.6	-17.9	26.5	-1.6	0	0	0	115.2
35	E	23.2	Very low	28.1	Very low	198 Å²	198	162.7 Å²	162.7	93%	0.925	81%	0.81	S	S	*	*				161	163.2	128.7	-100.7	-171.7	160.5	0	0	117.2
36	Q	26.8	Very low	28.1	Very low	176 Å²	176	159.9 Å²	159.9	82%	0.822	81%	0.809	S	S	*	*			trans	-111.7	157.7	-154	-77.7	-179.8	-14.6	0	0	117.8
37	S	25.8	Very low	28.2	Very low	105 Å²	105	160.3 Å²	160.3	73%	0.734	81%	0.808	S	S	*	*			trans	72.1	155.9	142.6	87	0	0	0	0	119.3
38	R	26.3	Very low	27.6	Very low	232 Å²	232	160.3 Å²	160.3	88%	0.875	81%	0.808	S	S	*	*			cis	-173.3	152.7	10.2	-138.8	176	-163.6	-161.3	6.6	108.2
39	Q	23.8	Very low	27.7	Very low	200 Å²	200	156.8 Å²	156.8	94%	0.935	80%	0.802	S	S	*	*			trans	-178.1	150.9	130.9	-99.9	175.3	20	0	0	113.9
40	K	27.1	Very low	28.3	Very low	178 Å²	178	157.7 Å²	157.7	77%	0.774	80%	0.8	S	S	*	*			trans	-137.1	160.8	-178.1	-122.3	-178.7	-171.9	172.1	0	106.5
41	P	30.7	Very low	28.2	Very low	128 Å²	128	157.4 Å²	157.4	83%	0.831	81%	0.806	S	S	*	*				-153.6	-178.7	64.7	34.9	-10	0	0	0	118
42	K	26	Very low	28.5	Very low	150 Å²	150	153.7 Å²	153.7	65%	0.652	80%	0.804	S	S	*	*			trans	-97.3	167.8	-177.1	-62.7	176.8	172.5	179.3	0	112.3
43	F	26.9	Very low	28.7	Very low	160 Å²	160	151.4 Å²	151.4	70%	0.702	80%	0.803	S	S	*	*				175.4	-176.2	56.9	-102.5	-65.3	0	0	0	108.5
44	P	32.2	Very low	29	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	80%	0.8	S	S	*	*			cis	-138.6	-179.1	15	34.1	-8.5	0	0	0	118.1
45	K	32.6	Very low	28.5	Very low	186 Å²	186	149 Å²	149	81%	0.809	80%	0.802	S	S	*	*			trans	-92	170	-175.6	-66.6	174.5	172.5	175.8	0	114.2
46	P	27.1	Very low	28.8	Very low	134 Å²	134	143.9 Å²	143.9	87%	0.87	79%	0.793	S	S	*	*				-146.4	169.5	100.5	34.1	-14.8	0	0	0	116.6
47	K	29.4	Very low	29	Very low	179 Å²	179	141.2 Å²	141.2	78%	0.778	79%	0.791	S	S	*	*			trans	-107.3	154.5	177.3	-131.9	-174.9	-172.5	-172.4	0	109.7
48	P	25.8	Very low	29.4	Very low	128 Å²	128	145.5 Å²	145.5	83%	0.831	80%	0.797	S	S	*	*				-141.2	156.2	116.5	25.8	-5.6	0	0	0	114.9
49	T	26.6	Very low	29.6	Very low	115 Å²	115	141.3 Å²	141.3	71%	0.706	80%	0.797	S	S	*	*			trans	-85.6	-172.7	178.2	-5.1	0	0	0	0	112
50	P	40.1	Very low	29.9	Very low	108 Å²	108	137.9 Å²	137.9	70%	0.701	79%	0.79	S	S	*	*			cis	-134.8	155.5	-33.6	33	-15.7	0	0	0	113.7
51	V	24.5	Very low	30.5	Very low	148 Å²	148	139 Å²	139	90%	0.897	80%	0.795	S	S	*	*			trans	-149.5	141	143.5	-176	0	0	0	0	109.6
52	A	32.5	Very low	30.7	Very low	94 Å²	94	136.7 Å²	136.7	78%	0.777	79%	0.786	S	S	*	*			trans	-63.2	145.3	-164.7	0	0	0	0	0	116.5
53	T	29.5	Very low	31.4	Very low	140 Å²	140	134.7 Å²	134.7	86%	0.859	79%	0.789	S	S	*	*			trans	-146.7	120.8	152.5	-14.9	0	0	0	0	108.9
54	T	30.5	Very low	32.7	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-54.2	143.1	178.9	-37.7	0	0	0	0	111	A56	T54-A56 PolarHBondContact O-N 3.34Å
55	P	32.1	Very low	34.1	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.3	128.4	177.7	-14.6	28	0	0	0	110.7
56	A	29.6	Very low	36.3	Very low	90 Å²	90	125.8 Å²	125.8	74%	0.744	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-55	131.7	165.2	0	0	0	0	0	109.4	T54 K58	T54-A56 PolarHBondContact O-N 3.34Å; A56-K58 PolarHBondContact O-N 3.33Å
57	P	30.8	Very low	39.2	Very low	121 Å²	121	126.3 Å²	126.3	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-59.5	131.1	173.4	-17.8	29.5	0	0	0	109.4	T59	P57-T59 PolarHBondContact O-N 2.89Å; P57-T59 VanDerWaalsContact O-N 3.09Å
58	K	32.8	Very low	42.2	Very low	195 Å²	195	120.1 Å²	120.1	85%	0.848	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.6	164.3	-71	176.2	177.3	178.2	0	107.4	A56 T60	A56-K58 PolarHBondContact O-N 3.33Å; K58-T60 VanDerWaalsContact C-N 3.32Å; K58-T60 PolarHBondContact O-N 3.09Å
59	T	31	Very low	45.4	Very low	143 Å²	143	115 Å²	115	88%	0.877	68%	0.684	S	S	*	*			trans	-61.7	97.2	166.6	23.8	0	0	0	0	108	P57 K61	P57-T59 PolarHBondContact O-N 2.89Å; P57-T59 VanDerWaalsContact O-N 3.09Å; T59-K61 PolarHBondContact O-N 3.06Å
60	T	30.9	Very low	48.4	Very low	129 Å²	129	110 Å²	110	79%	0.791	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-53.1	118.6	152.5	32.2	0	0	0	0	107.1	K58 A62	K58-T60 VanDerWaalsContact C-N 3.32Å; K58-T60 PolarHBondContact O-N 3.09Å; T60-A62 PolarHBondContact O-N 3.24Å
61	K	39.6	Very low	50.7	Low	200 Å²	200	109 Å²	109	87%	0.87	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-46.4	116.6	162.5	-110.2	-178.1	171	-170	0	107.4	T59	T59-K61 PolarHBondContact O-N 3.06Å
62	A	34	Very low	53.7	Low	80 Å²	80	107.8 Å²	107.8	66%	0.661	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-61.4	149.8	170.1	0	0	0	0	0	108.9	T60 D64	T60-A62 PolarHBondContact O-N 3.24Å; A62-D64 PolarHBondContact O-N 3.35Å
63	P	41	Very low	56.4	Low	108 Å²	108	110.4 Å²	110.4	70%	0.701	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.5	127.6	178.6	20.5	-17.4	0	0	0	109.7	T65	P63-T65 PolarHBondContact O-N 2.64Å
64	D	53.6	Low	59.3	Low	142 Å²	142	105 Å²	105	76%	0.759	60%	0.599	S	S	*	*	S	Bend	trans	-66.3	1.9	-179.7	-106.7	-36	0	0	0	114.5	A62 R280	A62-D64 PolarHBondContact O-N 3.35Å; D64-R280 PolarHBondContact O-NH2 3.36Å
65	T	62.2	Low	62.1	Low	113 Å²	113	100.7 Å²	100.7	69%	0.693	57%	0.57	S	S	*	*			trans	-100.5	119.4	-172.4	55.4	0	0	0	0	110.7	P63	P63-T65 PolarHBondContact O-N 2.64Å
66	D	79.4	Confident	64.9	Low	28 Å²	28	100.2 Å²	100.2	15%	0.15	56%	0.561	C	S	.	*			trans	-62.4	139.4	167.8	-154.5	-43.6	0	0	0	109.2	F68 L69 R280 R303	D66-F68 VanDerWaalsContact C-N 3.28Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.46Å; D66-F68 PolarHBondContact OD1-N 3.24Å; D66-F68 VanDerWaalsContact OD1-N 3.08Å; D66-L69 HydrophobicContact CB-CB 3.96Å; D66-L69 HydrophobicContact CB-CD1 3.87Å; D66-L69 HydrophobicContact CB-CG 4Å; D66-R280 VanDerWaalsContact N-NH2 3.14Å; D66-R280 VanDerWaalsContact OD2-CG 3.27Å; D66-R280 WeakPolarHBondContact OD2-CG 3.26Å; D66-R280 IonicContact OD2-CZ 3.93Å; D66-R280 IonicContact OD2-NE 2.96Å; D66-R280 PolarHBondContact OD2-NE 3.37Å; D66-R303 IonicContact OD1-CZ 3.76Å; D66-R303 IonicContact OD1-NH2 3.71Å; D66-R303 PolarHBondContact OD1-NH2 3.07Å; D66-R303 IonicContact OD2-NH2 2.78Å; D66-R303 PolarHBondContact OD2-NH2 2.94Å
67	E	88.1	Confident	67.8	Low	144 Å²	144	102.4 Å²	102.4	67%	0.673	55%	0.554	S	S	*	*	S	Bend	trans	-71.9	-27.3	176.7	-172.5	174.1	176.4	0	0	112.1
68	F	91.4	Very high	70.7	Confident	49 Å²	49	103.3 Å²	103.3	22%	0.215	55%	0.546	C	S	.	.	S	Bend	trans	-93.3	-36.3	-172	-63.1	-87.4	0	0	0	113.5	D66 C284 C299 K300 S301 C302 R303	D66-F68 VanDerWaalsContact C-N 3.28Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.46Å; D66-F68 PolarHBondContact OD1-N 3.24Å; D66-F68 VanDerWaalsContact OD1-N 3.08Å; F68-C284 HydrophobicContact CB-CB 4.28Å; F68-C299 CarbonylContact O-C 3.49Å; F68-K300 PolarHBondContact O-N 3.25Å; F68-S301 VanDerWaalsContact CD1-OG 3.3Å; F68-S301 WeakPolarHBondContact CD1-OG 3.44Å; F68-S301 PolarHBondContact O-N 3Å; F68-C302 WeakPolarHBondContact CE1-O 2.99Å; F68-R303 HydrophobicContact CB-CG 4.13Å; F68-R303 HydrophobicContact CD1-CB 4.33Å; F68-R303 HydrophobicContact CD1-CG 3.41Å; F68-R303 VanDerWaalsContact CD1-CG 3.41Å; F68-R303 HydrophobicContact CD2-CG 3.81Å; F68-R303 HydrophobicContact CE1-CB 4.3Å; F68-R303 HydrophobicContact CE1-CG 3.65Å; F68-R303 HydrophobicContact CE2-CG 4.03Å; F68-R303 HydrophobicContact CG-CG 3.49Å; F68-R303 VanDerWaalsContact CG-CG 3.49Å; F68-R303 HydrophobicContact CZ-CG 3.96Å
69	L	92.5	Very high	73.6	Confident	20 Å²	20	95.5 Å²	95.5	11%	0.105	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-68.8	148.6	-178.9	-69.1	169.8	0	0	0	111.7	D66 L75 F270 T283	D66-L69 HydrophobicContact CB-CB 3.96Å; D66-L69 HydrophobicContact CB-CD1 3.87Å; D66-L69 HydrophobicContact CB-CG 4Å; L69-L75 HydrophobicContact CD2-CD2 4.49Å; L69-F270 HydrophobicContact CD1-CD2 4.37Å; L69-F270 HydrophobicContact CD2-CE2 4.28Å; L69-T283 HydrophobicContact CD2-CG2 4.41Å
70	G	89.2	Confident	76.6	Confident	12 Å²	12	90.2 Å²	90.2	12%	0.124	48%	0.48	C	S	.	.			trans	-68.7	177.9	174.4	0	0	0	0	0	113.5	C298	G70-C298 WeakPolarHBondContact CA-O 3.25Å; G70-C298 PolarHBondContact N-O 3.43Å
71	P	89.3	Confident	79.4	Confident	87 Å²	87	85.4 Å²	85.4	57%	0.565	45%	0.448	S	S	*	.			trans	-64.7	154.4	176.9	29.1	-34.9	0	0	0	111.7	E73 C74 L75	P71-E73 PolarHBondContact O-N 2.87Å; P71-E73 VanDerWaalsContact O-N 3.15Å; P71-C74 HydrophobicContact CG-CB 4.23Å; P71-C74 WeakPolarHBondContact O-CB 3.01Å; P71-C74 PolarHBondContact O-N 2.92Å; P71-L75 PolarHBondContact O-N 2.71Å
72	Q	88.3	Confident	81.8	Confident	121 Å²	121	77.7 Å²	77.7	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-55.4	-37.2	-177.5	-167.4	61.5	38.3	0	0	113.1	C74 L75 D76	Q72-C74 PolarHBondContact O-N 2.89Å; Q72-C74 VanDerWaalsContact O-N 3.09Å; Q72-L75 PolarHBondContact O-N 3.02Å; Q72-D76 PolarHBondContact NE2-OD1 2.86Å; Q72-D76 PolarHBondContact O-N 3.04Å
73	E	89.3	Confident	84.6	Confident	149 Å²	149	74.7 Å²	74.7	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-56.4	-28.4	177.2	-62.1	177.1	-174.6	0	0	113.9	P71 K77	P71-E73 PolarHBondContact O-N 2.87Å; P71-E73 VanDerWaalsContact O-N 3.15Å; E73-K77 WeakPolarHBondContact O-CG 3.37Å
74	C	89.6	Confident	86.8	Confident	28 Å²	28	69.6 Å²	69.6	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-85.5	-38.8	178.5	163.8	0	0	0	0	111	P71 Q72 D76 K77 C298	P71-C74 HydrophobicContact CG-CB 4.23Å; P71-C74 WeakPolarHBondContact O-CB 3.01Å; P71-C74 PolarHBondContact O-N 2.92Å; Q72-C74 PolarHBondContact O-N 2.89Å; Q72-C74 VanDerWaalsContact O-N 3.09Å; C74-D76 VanDerWaalsContact C-N 3.34Å; C74-D76 PolarHBondContact O-N 3.25Å; C74-K77 WeakPolarHBondContact O-CB 3.35Å; C74-K77 PolarHBondContact O-N 3.01Å; C74-C298 HydrophobicContact CB-CB 4.41Å; C74-C298 WeakPolarHBondContact CB-SG 3.36Å; C74-C298 VanDerWaalsContact SG-CA 3.54Å; C74-C298 WeakPolarHBondContact SG-CB 3.21Å; C74-C298 CovalentContact SG-SG 2.02Å; C74-C298 PolarHBondContact SG-SG 3.22Å
75	L	89.9	Confident	88.2	Confident	39 Å²	39	63.7 Å²	63.7	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-39.8	174.4	-65.1	176.3	0	0	0	111.9	L69 P71 Q72 K77 K78 F270 C298	L69-L75 HydrophobicContact CD2-CD2 4.49Å; P71-L75 PolarHBondContact O-N 2.71Å; Q72-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 3.47Å; L75-K77 VanDerWaalsContact O-N 3.17Å; L75-K78 PolarHBondContact O-N 3.08Å; L75-F270 HydrophobicContact CD2-CE2 3.98Å; L75-F270 HydrophobicContact CD2-CZ 4.4Å; L75-C298 HydrophobicContact CD2-CB 3.88Å; L75-C298 PolarHBondContact N-SG 3.28Å
76	D	90.9	Very high	89.2	Confident	107 Å²	107	58.6 Å²	58.6	57%	0.572	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.7	179.5	-66.1	-17.5	0	0	0	112.7	Q72 C74 K78	Q72-D76 PolarHBondContact NE2-OD1 2.86Å; Q72-D76 PolarHBondContact O-N 3.04Å; C74-D76 VanDerWaalsContact C-N 3.34Å; C74-D76 PolarHBondContact O-N 3.25Å; D76-K78 VanDerWaalsContact C-N 3.27Å; D76-K78 PolarHBondContact O-N 3.37Å
77	K	89.9	Confident	89.6	Confident	136 Å²	136	57.5 Å²	57.5	59%	0.591	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.1	176.5	-69.8	174.4	-173.8	177.1	0	113.7	E73 C74 L75 L79	E73-K77 WeakPolarHBondContact O-CG 3.37Å; C74-K77 WeakPolarHBondContact O-CB 3.35Å; C74-K77 PolarHBondContact O-N 3.01Å; L75-K77 PolarHBondContact O-N 3.47Å; L75-K77 VanDerWaalsContact O-N 3.17Å; K77-L79 VanDerWaalsContact C-N 3.33Å; K77-L79 HydrophobicContact CB-CD1 4.36Å; K77-L79 HydrophobicContact CB-CD2 4.13Å; K77-L79 HydrophobicContact CB-CG 3.92Å; K77-L79 PolarHBondContact O-N 3.05Å
78	K	91.6	Very high	89.5	Confident	140 Å²	140	51.1 Å²	51.1	61%	0.609	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	54	-179.7	-62.5	-172.9	177.9	-171.8	0	112.5	L75 D76 A273	L75-K78 PolarHBondContact O-N 3.08Å; D76-K78 VanDerWaalsContact C-N 3.27Å; D76-K78 PolarHBondContact O-N 3.37Å; K78-A273 HydrophobicContact CB-CB 3.94Å
79	L	93.2	Very high	89.4	Confident	31 Å²	31	49.4 Å²	49.4	16%	0.162	26%	0.262	C	S	.	.			trans	-68.4	141.6	-177	-62.7	159	0	0	0	110.1	K77 L86 S294 M297	K77-L79 VanDerWaalsContact C-N 3.33Å; K77-L79 HydrophobicContact CB-CD1 4.36Å; K77-L79 HydrophobicContact CB-CD2 4.13Å; K77-L79 HydrophobicContact CB-CG 3.92Å; K77-L79 PolarHBondContact O-N 3.05Å; L79-L86 HydrophobicContact CB-CD1 4.23Å; L79-L86 HydrophobicContact CD1-CD1 3.38Å; L79-L86 HydrophobicContact CD2-CD1 3.85Å; L79-L86 HydrophobicContact CG-CD1 3.99Å; L79-S294 WeakPolarHBondContact O-CA 3.32Å; L79-M297 HydrophobicContact CB-CB 3.9Å
80	T	93.8	Very high	89.1	Confident	31 Å²	31	48.9 Å²	48.9	19%	0.19	26%	0.259	C	S	.	.			trans	-136	175.8	-178.8	64.1	0	0	0	0	110.2	A82 S83 A273 D292 M297	T80-A82 PolarHBondContact O-N 3.12Å; T80-A82 PolarHBondContact OG1-N 2.85Å; T80-S83 PolarHBondContact N-OG 2.03Å; T80-S83 VanDerWaalsContact N-OG 3.13Å; T80-S83 WeakPolarHBondContact O-CB 3.43Å; T80-S83 PolarHBondContact O-N 3.12Å; T80-S83 PolarHBondContact O-OG 3.18Å; T80-A273 HydrophobicContact CG2-CB 3.61Å; T80-D292 WeakPolarHBondContact CB-O 3.27Å; T80-D292 HydrophobicContact CG2-CB 4.44Å; T80-M297 WeakPolarHBondContact O-CE 3.26Å
81	R	90.5	Very high	89	Confident	28 Å²	28	49 Å²	49	11%	0.106	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.6	171.3	179.9	61.5	-172.6	93.8	-12.8	114.1	S83 V87 F88 Y235 D292 R293	R81-S83 VanDerWaalsContact C-N 3.25Å; R81-S83 PolarHBondContact O-N 3.23Å; R81-V87 WeakPolarHBondContact O-CG2 3.27Å; R81-F88 PolarHBondContact NH1-O 3.3Å; R81-F88 PolarHBondContact NH2-O 2.88Å; R81-Y235 HydrophobicContact CG-CD1 4.02Å; R81-Y235 HydrophobicContact CG-CE1 4.44Å; R81-Y235 HydrophobicContact CG-CG 4.33Å; R81-D292 PolarHBondContact N-O 2.92Å; R81-R293 HydrophobicContact CB-CB 4.02Å
82	A	90.9	Very high	89.1	Confident	38 Å²	38	45.7 Å²	45.7	31%	0.314	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.9	177.9	0	0	0	0	0	113.4	T80 C84 Q99 C100	T80-A82 PolarHBondContact O-N 3.12Å; T80-A82 PolarHBondContact OG1-N 2.85Å; A82-C84 PolarHBondContact O-N 3.42Å; A82-C84 VanDerWaalsContact O-N 3.08Å; A82-Q99 CarbonylContact O-C 3.56Å; A82-Q99 VanDerWaalsContact O-CA 3.28Å; A82-Q99 WeakPolarHBondContact O-CA 3.44Å; A82-C100 HydrophobicContact CB-CB 4.47Å; A82-C100 PolarHBondContact O-N 2.93Å
83	S	92.2	Very high	89.2	Confident	18 Å²	18	41.5 Å²	41.5	13%	0.126	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-81.3	87.6	-178.5	-56	0	0	0	0	110.6	T80 R81 G85 L86 V87 G98	T80-S83 PolarHBondContact N-OG 2.03Å; T80-S83 VanDerWaalsContact N-OG 3.13Å; T80-S83 WeakPolarHBondContact O-CB 3.43Å; T80-S83 PolarHBondContact O-N 3.12Å; T80-S83 PolarHBondContact O-OG 3.18Å; R81-S83 VanDerWaalsContact C-N 3.25Å; R81-S83 PolarHBondContact O-N 3.23Å; S83-G85 PolarHBondContact O-N 3.45Å; S83-L86 PolarHBondContact O-N 3.49Å; S83-V87 PolarHBondContact O-N 3.24Å; S83-G98 CarbonylContact C-O 3.45Å
84	C	87.2	Confident	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-7.5	-174.6	62.6	0	0	0	0	114.8	A82 L86 V87 C89 C95 G98 Q99	A82-C84 PolarHBondContact O-N 3.42Å; A82-C84 VanDerWaalsContact O-N 3.08Å; C84-L86 PolarHBondContact O-N 3.46Å; C84-V87 VanDerWaalsContact CA-O 3.31Å; C84-V87 WeakPolarHBondContact CA-O 3.21Å; C84-C89 WeakPolarHBondContact CB-SG 3.5Å; C84-C95 HydrophobicContact CB-CB 3.55Å; C84-C95 WeakPolarHBondContact CB-SG 3.06Å; C84-C95 WeakPolarHBondContact SG-CA 3.4Å; C84-C95 WeakPolarHBondContact SG-CB 3.44Å; C84-C95 CovalentContact SG-SG 2.02Å; C84-C95 PolarHBondContact SG-SG 3Å; C84-G98 PolarHBondContact N-O 2.72Å; C84-G98 WeakPolarHBondContact SG-CA 3.01Å; C84-G98 PolarHBondContact SG-O 2.65Å; C84-G98 VanDerWaalsContact SG-O 3.38Å; C84-Q99 VanDerWaalsContact SG-C 3.57Å; C84-Q99 PolarHBondContact SG-N 3.33Å
85	G	82.3	Confident	88.9	Confident	18 Å²	18	37.5 Å²	37.5	19%	0.186	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.6	167	0	0	0	0	0	113.9	S83 L328 T520 Q522	S83-G85 PolarHBondContact O-N 3.45Å; G85-L328 WeakPolarHBondContact O-CD1 3.45Å; G85-T520 WeakPolarHBondContact CA-OG1 3.39Å; G85-T520 WeakPolarHBondContact O-CB 2.95Å; G85-T520 PolarHBondContact O-OG1 3.5Å; G85-Q522 WeakPolarHBondContact O-CB 3.26Å
86	L	84.9	Confident	88.5	Confident	7 Å²	7	37.2 Å²	37.2	4%	0.037	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-24.7	-175.3	-72.4	175.1	0	0	0	114.7	L79 S83 C84 M297 V313 L328 Q522	L79-L86 HydrophobicContact CB-CD1 4.23Å; L79-L86 HydrophobicContact CD1-CD1 3.38Å; L79-L86 HydrophobicContact CD2-CD1 3.85Å; L79-L86 HydrophobicContact CG-CD1 3.99Å; S83-L86 PolarHBondContact O-N 3.49Å; C84-L86 PolarHBondContact O-N 3.46Å; L86-M297 HydrophobicContact CB-CE 3.63Å; L86-M297 HydrophobicContact CD1-CE 3.99Å; L86-M297 HydrophobicContact CG-CE 4.48Å; L86-V313 HydrophobicContact CB-CG2 4.3Å; L86-L328 WeakPolarHBondContact O-CD1 2.96Å; L86-L328 VanDerWaalsContact O-CG 3.27Å; L86-L328 WeakPolarHBondContact O-CG 3.44Å; L86-Q522 HydrophobicContact CD2-CB 3.92Å; L86-Q522 HydrophobicContact CD2-CG 3.78Å
87	V	86.9	Confident	88.1	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	20%	0.2	C	C	.	.	S	Bend	trans	-139.1	151.7	-178.4	-68.5	0	0	0	0	110.5	R81 S83 C84 M297 V313	R81-V87 WeakPolarHBondContact O-CG2 3.27Å; S83-V87 PolarHBondContact O-N 3.24Å; C84-V87 VanDerWaalsContact CA-O 3.31Å; C84-V87 WeakPolarHBondContact CA-O 3.21Å; V87-M297 HydrophobicContact CG1-CE 3.86Å; V87-M297 HydrophobicContact CG1-SD 3.81Å; V87-M297 HydrophobicContact CG2-CE 3.94Å; V87-M297 HydrophobicContact CG2-SD 4.35Å; V87-V313 HydrophobicContact CG1-CG1 4.07Å; V87-V313 HydrophobicContact CG1-CG2 3.99Å
88	F	86.6	Confident	87.8	Confident	11 Å²	11	35.4 Å²	35.4	5%	0.048	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-66.1	140.9	176.1	-70.3	-75.3	0	0	0	112	R81 I325 C327 L328 W519 F643	R81-F88 PolarHBondContact NH1-O 3.3Å; R81-F88 PolarHBondContact NH2-O 2.88Å; F88-I325 VanDerWaalsContact CD2-O 3.28Å; F88-I325 WeakPolarHBondContact CD2-O 3.45Å; F88-I325 HydrophobicContact CE2-CG2 3.74Å; F88-I325 HydrophobicContact CZ-CG2 4.32Å; F88-C327 WeakPolarHBondContact CE2-O 3.43Å; F88-L328 HydrophobicContact CD2-CD2 4.34Å; F88-L328 HydrophobicContact CE1-CD2 4.44Å; F88-L328 HydrophobicContact CE2-CD2 4.13Å; F88-L328 HydrophobicContact CZ-CD2 4.18Å; F88-W519 AromaticContact CD1-CZ2 3.98Å; F88-W519 HydrophobicContact CD1-CZ2 3.98Å; F88-W519 AromaticContact CE1-CH2 3.43Å; F88-W519 HydrophobicContact CE1-CH2 3.43Å; F88-W519 VanDerWaalsContact CE1-CH2 3.43Å; F88-W519 AromaticContact CE1-CZ2 3.21Å; F88-W519 HydrophobicContact CE1-CZ2 3.21Å; F88-W519 AromaticContact CZ-CH2 3.87Å; F88-W519 HydrophobicContact CZ-CH2 3.87Å; F88-W519 AromaticContact CZ-CZ2 3.8Å; F88-W519 HydrophobicContact CZ-CZ2 3.8Å; F88-F643 HydrophobicContact CD1-CB 3.77Å; F88-F643 HydrophobicContact CD1-CD1 4.41Å; F88-F643 HydrophobicContact CD1-CG 4.21Å; F88-F643 HydrophobicContact CE1-CB 3.4Å; F88-F643 VanDerWaalsContact CE1-CB 3.4Å; F88-F643 AromaticContact CE1-CD1 3.9Å; F88-F643 HydrophobicContact CE1-CD1 3.9Å; F88-F643 AromaticContact CE1-CD2 3.96Å; F88-F643 HydrophobicContact CE1-CD2 3.96Å; F88-F643 AromaticContact CE1-CG 3.5Å; F88-F643 HydrophobicContact CE1-CG 3.5Å; F88-F643 HydrophobicContact CZ-CD1 4.41Å; F88-F643 HydrophobicContact CZ-CD2 4.37Å; F88-F643 HydrophobicContact CZ-CG 4.21Å
89	C	87.9	Confident	87.6	Confident	13 Å²	13	35 Å²	35	9%	0.088	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-71.4	143.8	168.8	-61.4	0	0	0	0	110.2	C84 Q93 C100 N644	C84-C89 WeakPolarHBondContact CB-SG 3.5Å; C89-Q93 HydrophobicContact CB-CB 3.96Å; C89-C100 WeakPolarHBondContact CA-SG 3.3Å; C89-C100 HydrophobicContact CB-CB 3.99Å; C89-C100 WeakPolarHBondContact CB-SG 3.27Å; C89-C100 WeakPolarHBondContact SG-CA 3.29Å; C89-C100 WeakPolarHBondContact SG-CB 3.16Å; C89-C100 CovalentContact SG-SG 2.05Å; C89-C100 PolarHBondContact SG-SG 2.96Å; C89-N644 PolarHBondContact N-OD1 3.17Å
90	P	87.8	Confident	87.5	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.052	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-55.7	157	168.8	-22.8	33	0	0	0	112	W92 Q93	P90-W92 HydrophobicContact CB-CD2 3.87Å; P90-W92 VanDerWaalsContact CB-CE2 3.48Å; P90-W92 HydrophobicContact CB-CE3 4.24Å; P90-W92 HydrophobicContact CB-CH2 3.93Å; P90-W92 HydrophobicContact CB-CZ2 3.52Å; P90-W92 HydrophobicContact CB-CZ3 4.27Å; P90-W92 HydrophobicContact CG-CZ2 4.17Å; P90-W92 PolarHBondContact O-N 2.99Å; P90-Q93 VanDerWaalsContact CD-OE1 3.28Å; P90-Q93 PolarHBondContact O-N 2.98Å; P90-Q93 VanDerWaalsContact O-O 3.09Å
91	P	87.3	Confident	87.5	Confident	16 Å²	16	35 Å²	35	10%	0.104	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.8	-174.7	-28.4	35.1	0	0	0	115.7	Q93 K103 T365 N368	P91-Q93 VanDerWaalsContact C-N 3.33Å; P91-K103 WeakPolarHBondContact O-CD 3.43Å; P91-K103 PolarHBondContact O-NZ 3.2Å; P91-T365 HydrophobicContact CG-CG2 3.93Å; P91-N368 HydrophobicContact CB-CB 4.12Å; P91-N368 HydrophobicContact CG-CB 4.25Å
92	W	89.8	Confident	87.6	Confident	16 Å²	16	35.5 Å²	35.5	6%	0.061	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.3	178.5	55.4	87.4	0	0	0	114.3	P90 K103 Y127 M131 A132 Y235	P90-W92 HydrophobicContact CB-CD2 3.87Å; P90-W92 VanDerWaalsContact CB-CE2 3.48Å; P90-W92 HydrophobicContact CB-CE3 4.24Å; P90-W92 HydrophobicContact CB-CH2 3.93Å; P90-W92 HydrophobicContact CB-CZ2 3.52Å; P90-W92 HydrophobicContact CB-CZ3 4.27Å; P90-W92 HydrophobicContact CG-CZ2 4.17Å; P90-W92 PolarHBondContact O-N 2.99Å; W92-K103 WeakPolarHBondContact O-CB 3.29Å; W92-K103 PolarHBondContact O-N 2.79Å; W92-Y127 HydrophobicContact CE3-CE1 4.46Å; W92-Y127 AromaticContact CH2-CE1 3.94Å; W92-Y127 HydrophobicContact CH2-CE1 3.94Å; W92-Y127 HydrophobicContact CZ3-CD1 4.17Å; W92-Y127 AromaticContact CZ3-CE1 3.63Å; W92-Y127 HydrophobicContact CZ3-CE1 3.63Å; W92-M131 HydrophobicContact CB-CB 4.05Å; W92-M131 HydrophobicContact CD2-CB 3.32Å; W92-M131 HydrophobicContact CD2-CG 4.08Å; W92-M131 HydrophobicContact CE3-CB 3.66Å; W92-M131 HydrophobicContact CE3-CG 4.04Å; W92-M131 HydrophobicContact CG-CB 3.5Å; W92-M131 VanDerWaalsContact CG-CB 3.5Å; W92-M131 HydrophobicContact CH2-CE 4.49Å; W92-M131 HydrophobicContact CH2-CG 4.27Å; W92-M131 HydrophobicContact CZ2-CB 4.26Å; W92-M131 HydrophobicContact CZ2-CE 3.93Å; W92-M131 HydrophobicContact CZ2-CG 4.3Å; W92-M131 HydrophobicContact CZ3-CB 4.25Å; W92-M131 HydrophobicContact CZ3-CG 4.14Å; W92-A132 HydrophobicContact CB-CB 3.96Å; W92-Y235 HydrophobicContact CZ2-CE2 4.49Å
93	Q	91.1	Very high	87.6	Confident	34 Å²	34	34.3 Å²	34.3	16%	0.159	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161.4	173.1	-70.1	179.5	-17.7	0	0	110.3	C89 P90 P91 C100 T101 K103 C135	C89-Q93 HydrophobicContact CB-CB 3.96Å; P90-Q93 VanDerWaalsContact CD-OE1 3.28Å; P90-Q93 PolarHBondContact O-N 2.98Å; P90-Q93 VanDerWaalsContact O-O 3.09Å; P91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-C100 HydrophobicContact CB-CB 4.24Å; Q93-C100 VanDerWaalsContact OE1-CB 3.27Å; Q93-T101 CarbonylContact C-O 3.53Å; Q93-T101 WeakPolarHBondContact CA-O 3.48Å; Q93-T101 WeakPolarHBondContact CB-O 3.39Å; Q93-K103 WeakPolarHBondContact O-CE 3.44Å; Q93-K103 PolarHBondContact O-NZ 2.93Å; Q93-K103 VanDerWaalsContact O-NZ 3.12Å; Q93-C135 PolarHBondContact NE2-SG 3.44Å
94	R	86.6	Confident	87.6	Confident	88 Å²	88	36.4 Å²	36.4	33%	0.332	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.9	173	57.9	174.5	-170.9	164.9	4.4	110.5	V96 C100 T101 K103	R94-V96 HydrophobicContact CG-CG2 4.07Å; R94-C100 CarbonylContact O-C 3.56Å; R94-C100 WeakPolarHBondContact O-CA 3.5Å; R94-T101 WeakPolarHBondContact CG-OG1 3.19Å; R94-T101 PolarHBondContact N-O 3.08Å; R94-T101 PolarHBondContact O-N 2.84Å; R94-T101 PolarHBondContact O-OG1 3.21Å; R94-K103 HydrophobicContact CB-CG 4.15Å; R94-K103 HydrophobicContact CG-CG 4.12Å
95	C	85.6	Confident	87.8	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.5	176	-174.9	0	0	0	0	109.7	C84 W637 N644	C84-C95 HydrophobicContact CB-CB 3.55Å; C84-C95 WeakPolarHBondContact CB-SG 3.06Å; C84-C95 WeakPolarHBondContact SG-CA 3.4Å; C84-C95 WeakPolarHBondContact SG-CB 3.44Å; C84-C95 CovalentContact SG-SG 2.02Å; C84-C95 PolarHBondContact SG-SG 3Å; C95-W637 WeakPolarHBondContact O-CH2 3.42Å; C95-N644 HydrophobicContact CB-CB 3.9Å
96	V	82.8	Confident	88.1	Confident	32 Å²	32	45 Å²	45	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.7	174.4	179.4	0	0	0	0	106.9	R94 G98 Q99 T101	R94-V96 HydrophobicContact CG-CG2 4.07Å; V96-G98 PolarHBondContact O-N 3.39Å; V96-G98 VanDerWaalsContact O-N 3.16Å; V96-Q99 PolarHBondContact N-O 2.83Å; V96-Q99 PolarHBondContact O-N 3.2Å; V96-Q99 VanDerWaalsContact O-O 3.14Å; V96-T101 HydrophobicContact CB-CG2 4.24Å; V96-T101 WeakPolarHBondContact CG2-OG1 3.49Å
97	E	81.9	Confident	88.3	Confident	169 Å²	169	48.8 Å²	48.8	79%	0.79	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.1	178.2	-61.4	177.3	177.1	0	0	113.3	Q99	E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 2.95Å
98	G	82.3	Confident	88.4	Confident	36 Å²	36	49 Å²	49	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	4.1	-180	0	0	0	0	0	115.2	S83 C84 V96	S83-G98 CarbonylContact C-O 3.45Å; C84-G98 PolarHBondContact N-O 2.72Å; C84-G98 WeakPolarHBondContact SG-CA 3.01Å; C84-G98 PolarHBondContact SG-O 2.65Å; C84-G98 VanDerWaalsContact SG-O 3.38Å; V96-G98 PolarHBondContact O-N 3.39Å; V96-G98 VanDerWaalsContact O-N 3.16Å
99	Q	88.7	Confident	88.3	Confident	132 Å²	132	49 Å²	49	62%	0.617	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.7	174.3	-64.2	-170.1	-8.3	0	0	114	A82 C84 V96 E97 T101	A82-Q99 CarbonylContact O-C 3.56Å; A82-Q99 VanDerWaalsContact O-CA 3.28Å; A82-Q99 WeakPolarHBondContact O-CA 3.44Å; C84-Q99 VanDerWaalsContact SG-C 3.57Å; C84-Q99 PolarHBondContact SG-N 3.33Å; V96-Q99 PolarHBondContact N-O 2.83Å; V96-Q99 PolarHBondContact O-N 3.2Å; V96-Q99 VanDerWaalsContact O-O 3.14Å; E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 2.95Å; Q99-T101 PolarHBondContact O-N 2.81Å
100	C	91.6	Very high	88.2	Confident	14 Å²	14	51.9 Å²	51.9	10%	0.095	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.3	173.2	-66.5	0	0	0	0	110.6	A82 C89 Q93 R94	A82-C100 HydrophobicContact CB-CB 4.47Å; A82-C100 PolarHBondContact O-N 2.93Å; C89-C100 WeakPolarHBondContact CA-SG 3.3Å; C89-C100 HydrophobicContact CB-CB 3.99Å; C89-C100 WeakPolarHBondContact CB-SG 3.27Å; C89-C100 WeakPolarHBondContact SG-CA 3.29Å; C89-C100 WeakPolarHBondContact SG-CB 3.16Å; C89-C100 CovalentContact SG-SG 2.05Å; C89-C100 PolarHBondContact SG-SG 2.96Å; Q93-C100 HydrophobicContact CB-CB 4.24Å; Q93-C100 VanDerWaalsContact OE1-CB 3.27Å; R94-C100 CarbonylContact O-C 3.56Å; R94-C100 WeakPolarHBondContact O-CA 3.5Å
101	T	91.9	Very high	87.9	Confident	48 Å²	48	58 Å²	58	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.3	178.1	60.4	0	0	0	0	110.7	Q93 R94 V96 Q99 K103	Q93-T101 CarbonylContact C-O 3.53Å; Q93-T101 WeakPolarHBondContact CA-O 3.48Å; Q93-T101 WeakPolarHBondContact CB-O 3.39Å; R94-T101 WeakPolarHBondContact CG-OG1 3.19Å; R94-T101 PolarHBondContact N-O 3.08Å; R94-T101 PolarHBondContact O-N 2.84Å; R94-T101 PolarHBondContact O-OG1 3.21Å; V96-T101 HydrophobicContact CB-CG2 4.24Å; V96-T101 WeakPolarHBondContact CG2-OG1 3.49Å; Q99-T101 PolarHBondContact O-N 2.81Å; T101-K103 PolarHBondContact O-N 3Å
102	C	93.6	Very high	87.5	Confident	39 Å²	39	61.2 Å²	61.2	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.9	-178.2	-49.6	0	0	0	0	111.7	C135 R136	C102-C135 HydrophobicContact CB-CB 3.77Å; C102-C135 WeakPolarHBondContact CB-SG 3.24Å; C102-C135 WeakPolarHBondContact SG-CB 3.15Å; C102-C135 PolarHBondContact SG-O 3.35Å; C102-C135 CovalentContact SG-SG 2.03Å; C102-C135 PolarHBondContact SG-SG 3.04Å; C102-R136 HydrophobicContact CB-CG 3.54Å
103	K	90.9	Very high	87.1	Confident	12 Å²	12	61.6 Å²	61.6	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-76.5	161.3	170.9	-70.4	172.3	174.6	163.9	0	111.2	P91 W92 Q93 R94 T101 L107 R136 S645	P91-K103 WeakPolarHBondContact O-CD 3.43Å; P91-K103 PolarHBondContact O-NZ 3.2Å; W92-K103 WeakPolarHBondContact O-CB 3.29Å; W92-K103 PolarHBondContact O-N 2.79Å; Q93-K103 WeakPolarHBondContact O-CE 3.44Å; Q93-K103 PolarHBondContact O-NZ 2.93Å; Q93-K103 VanDerWaalsContact O-NZ 3.12Å; R94-K103 HydrophobicContact CB-CG 4.15Å; R94-K103 HydrophobicContact CG-CG 4.12Å; T101-K103 PolarHBondContact O-N 3Å; K103-L107 HydrophobicContact CB-CB 4.45Å; K103-L107 HydrophobicContact CB-CD1 4.4Å; K103-R136 WeakPolarHBondContact O-CD 3.11Å; K103-S645 WeakPolarHBondContact CE-O 3.4Å; K103-S645 PolarHBondContact NZ-O 2.87Å
104	L	91.6	Very high	86.8	Confident	63 Å²	63	65 Å²	65	33%	0.33	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-75.6	140.2	165.5	-68.9	162.7	0	0	0	109.1	Y106 L107	L104-Y106 HydrophobicContact CB-CD1 3.72Å; L104-Y106 HydrophobicContact CB-CE1 3.33Å; L104-Y106 HydrophobicContact CD1-CE1 3.52Å; L104-Y106 VanDerWaalsContact CD1-OH 3.26Å; L104-Y106 WeakPolarHBondContact CD1-OH 3.33Å; L104-Y106 HydrophobicContact CG-CE1 3.94Å; L104-Y106 PolarHBondContact O-N 2.97Å; L104-Y106 VanDerWaalsContact O-N 3.09Å; L104-L107 HydrophobicContact CB-CD1 4.25Å; L104-L107 HydrophobicContact CB-CG 4.41Å; L104-L107 WeakPolarHBondContact O-CB 3.31Å; L104-L107 PolarHBondContact O-N 3.09Å
105	P	91.8	Very high	86.8	Confident	29 Å²	29	62.1 Å²	62.1	19%	0.188	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-54.7	-32.9	-175.1	-29.9	35.8	0	0	0	114.8	L107 C108 Q129 A132 S133	P105-L107 PolarHBondContact O-N 3.45Å; P105-C108 WeakPolarHBondContact O-CB 3.48Å; P105-C108 PolarHBondContact O-N 2.89Å; P105-C108 VanDerWaalsContact O-N 3.13Å; P105-Q129 HydrophobicContact CB-CB 4.3Å; P105-Q129 HydrophobicContact CB-CG 4.45Å; P105-Q129 WeakPolarHBondContact O-CG 3.43Å; P105-A132 HydrophobicContact CB-CB 4.43Å; P105-A132 HydrophobicContact CG-CB 4.15Å; P105-S133 WeakPolarHBondContact CG-OG 3.24Å
106	Y	89.8	Confident	87	Confident	169 Å²	169	61.9 Å²	61.9	66%	0.663	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.4	-13.7	178.9	69.3	-98.4	0	0	0	114.1	L104 C108	L104-Y106 HydrophobicContact CB-CD1 3.72Å; L104-Y106 HydrophobicContact CB-CE1 3.33Å; L104-Y106 HydrophobicContact CD1-CE1 3.52Å; L104-Y106 VanDerWaalsContact CD1-OH 3.26Å; L104-Y106 WeakPolarHBondContact CD1-OH 3.33Å; L104-Y106 HydrophobicContact CG-CE1 3.94Å; L104-Y106 PolarHBondContact O-N 2.97Å; L104-Y106 VanDerWaalsContact O-N 3.09Å; Y106-C108 VanDerWaalsContact C-N 3.29Å
107	L	88.1	Confident	87.3	Confident	86 Å²	86	60.3 Å²	60.3	45%	0.45	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-82.1	-10.1	174.7	-62.8	173.6	0	0	0	112.3	K103 L104 P105	K103-L107 HydrophobicContact CB-CB 4.45Å; K103-L107 HydrophobicContact CB-CD1 4.4Å; L104-L107 HydrophobicContact CB-CD1 4.25Å; L104-L107 HydrophobicContact CB-CG 4.41Å; L104-L107 WeakPolarHBondContact O-CB 3.31Å; L104-L107 PolarHBondContact O-N 3.09Å; P105-L107 PolarHBondContact O-N 3.45Å
108	C	88.5	Confident	87.8	Confident	8 Å²	8	52.3 Å²	52.3	5%	0.054	30%	0.295	C	S	.	.	S	Bend	trans	-77.7	144.3	176.9	-81.3	0	0	0	0	111.8	P105 Y106 C128 Q129	P105-C108 WeakPolarHBondContact O-CB 3.48Å; P105-C108 PolarHBondContact O-N 2.89Å; P105-C108 VanDerWaalsContact O-N 3.13Å; Y106-C108 VanDerWaalsContact C-N 3.29Å; C108-C128 HydrophobicContact CB-CB 3.52Å; C108-C128 WeakPolarHBondContact CB-SG 3.35Å; C108-C128 WeakPolarHBondContact SG-CB 3.32Å; C108-C128 PolarHBondContact SG-O 2.95Å; C108-C128 CovalentContact SG-SG 2.05Å; C108-C128 PolarHBondContact SG-SG 2.85Å; C108-Q129 HydrophobicContact CB-CG 3.9Å
109	P	85.1	Confident	88.1	Confident	11 Å²	11	52.8 Å²	52.8	7%	0.071	29%	0.287	C	S	.	.			trans	-59.2	145.9	171.1	-20.5	32.3	0	0	0	112.2	S126 L372	P109-S126 VanDerWaalsContact O-CB 3.3Å; P109-S126 WeakPolarHBondContact O-CB 3.02Å; P109-S126 PolarHBondContact O-OG 3.46Å; P109-L372 HydrophobicContact CG-CD2 4.16Å; P109-L372 HydrophobicContact CG-CG 4.24Å
110	T	86.1	Confident	88.1	Confident	74 Å²	74	53.5 Å²	53.5	45%	0.454	30%	0.295	S	S	.	.			trans	-127	-0.6	178	57.9	0	0	0	0	113.3	V113 T125 Q129	T110-V113 VanDerWaalsContact C-CG2 3.46Å; T110-V113 WeakPolarHBondContact O-CG2 3.01Å; T110-T125 VanDerWaalsContact CG2-OG1 3.32Å; T110-T125 WeakPolarHBondContact CG2-OG1 3.42Å; T110-Q129 VanDerWaalsContact CG2-NE2 3.33Å
111	E	82.1	Confident	87.8	Confident	138 Å²	138	56.2 Å²	56.2	65%	0.645	31%	0.306	S	S	*	.	S	Bend	trans	-98	137.9	-178.9	-65.3	176.8	177.2	0	0	110.6	V113 H371	E111-V113 VanDerWaalsContact C-N 3.27Å; E111-V113 PolarHBondContact O-N 3.12Å; E111-H371 IonicContact OE2-CE1 3.12Å
112	G	77.1	Confident	87.7	Confident	82 Å²	82	61.9 Å²	61.9	85%	0.845	32%	0.322	S	S	*	.	S	Bend	trans	68.8	20.3	175.5	0	0	0	0	0	115.3
113	V	82.3	Confident	87.6	Confident	24 Å²	24	63.6 Å²	63.6	15%	0.145	33%	0.332	C	S	.	.			trans	-124.9	155	-174.4	-70.5	0	0	0	0	111.1	T110 E111 E364	T110-V113 VanDerWaalsContact C-CG2 3.46Å; T110-V113 WeakPolarHBondContact O-CG2 3.01Å; E111-V113 VanDerWaalsContact C-N 3.27Å; E111-V113 PolarHBondContact O-N 3.12Å; V113-E364 VanDerWaalsContact CB-OE2 3.25Å; V113-E364 WeakPolarHBondContact CB-OE2 3.49Å; V113-E364 WeakPolarHBondContact CG1-OE2 3.23Å
114	K	83.7	Confident	87.6	Confident	105 Å²	105	63.7 Å²	63.7	46%	0.457	33%	0.332	S	S	.	.			trans	-91.5	143	178.9	-65	-174.8	-179.9	-180	0	111.6	I359 E364	K114-I359 HydrophobicContact CD-CD1 3.28Å; K114-I359 HydrophobicContact CD-CG1 3.91Å; K114-I359 HydrophobicContact CD-CG2 4.19Å; K114-E364 PolarHBondContact N-OE1 3.28Å
115	P	88	Confident	87.6	Confident	28 Å²	28	64.2 Å²	64.2	18%	0.182	34%	0.338	C	S	.	.			trans	-72.6	156.9	176.9	31.2	-34.6	0	0	0	111.4	T123 F124 G146 N147	P115-T123 HydrophobicContact CB-CG2 4.29Å; P115-F124 VanDerWaalsContact CA-O 3.23Å; P115-F124 WeakPolarHBondContact CA-O 3.26Å; P115-F124 VanDerWaalsContact CB-O 3.23Å; P115-F124 WeakPolarHBondContact CB-O 3.46Å; P115-G146 PolarHBondContact O-N 2.89Å; P115-N147 WeakPolarHBondContact CD-OD1 3.1Å; P115-N147 HydrophobicContact CG-CB 4.49Å; P115-N147 WeakPolarHBondContact CG-OD1 3.2Å
116	V	89.4	Confident	87.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	-174.8	179.4	0	0	0	0	109.2	F124 Y127 A130 V142 F145	V116-F124 PolarHBondContact N-O 2.99Å; V116-F124 PolarHBondContact O-N 3.42Å; V116-Y127 HydrophobicContact CG2-CD2 4.21Å; V116-A130 HydrophobicContact CG1-CB 4.33Å; V116-V142 HydrophobicContact CG1-CB 4.45Å; V116-V142 HydrophobicContact CG1-CG1 3.77Å; V116-V142 HydrophobicContact CG1-CG2 4.25Å; V116-F145 HydrophobicContact CG2-CD1 3.71Å; V116-F145 HydrophobicContact CG2-CE1 3.56Å; V116-F145 HydrophobicContact CG2-CZ 4.32Å
117	C	89.7	Confident	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.6	172.9	-174.8	0	0	0	0	110	S143 H144 C149 K155	C117-S143 WeakPolarHBondContact O-CB 3.44Å; C117-S143 PolarHBondContact O-N 2.73Å; C117-H144 PolarHBondContact N-O 3.38Å; C117-H144 PolarHBondContact O-N 2.92Å; C117-C149 WeakPolarHBondContact CA-SG 3.43Å; C117-C149 HydrophobicContact CB-CB 3.54Å; C117-C149 WeakPolarHBondContact CB-SG 3.24Å; C117-C149 WeakPolarHBondContact SG-CA 3.33Å; C117-C149 WeakPolarHBondContact SG-CB 3.48Å; C117-C149 CovalentContact SG-SG 2.04Å; C117-C149 PolarHBondContact SG-SG 3.31Å; C117-K155 PolarHBondContact SG-NZ 3.16Å
118	G	90.9	Very high	87.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	167.5	174.8	0	0	0	0	0	114.6	N120 H121 R122 V141	G118-N120 PolarHBondContact O-N 2.95Å; G118-H121 PolarHBondContact O-N 2.97Å; G118-H121 VanDerWaalsContact O-N 3.08Å; G118-R122 PolarHBondContact N-O 3.39Å; G118-V141 CarbonylContact C-O 3.55Å; G118-V141 WeakPolarHBondContact CA-O 3.31Å
119	Q	89.1	Confident	87.8	Confident	45 Å²	45	52.1 Å²	52.1	21%	0.21	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.8	-175.6	-101.3	60.1	-4.3	0	0	112.1	H121 V141 V142	Q119-H121 VanDerWaalsContact C-N 3.27Å; Q119-H121 PolarHBondContact O-N 2.85Å; Q119-V141 PolarHBondContact N-O 2.73Å; Q119-V141 PolarHBondContact OE1-O 3.31Å; Q119-V141 VanDerWaalsContact OE1-O 3.06Å; Q119-V142 VanDerWaalsContact CD-O 3.31Å; Q119-V142 PolarHBondContact NE2-O 2.85Å; Q119-V142 PolarHBondContact OE1-O 2.97Å
120	N	88.1	Confident	88.2	Confident	147 Å²	147	51.6 Å²	51.6	79%	0.786	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	22.3	179.6	-61.3	-2.6	0	0	0	113.1	G118 R122	G118-N120 PolarHBondContact O-N 2.95Å; N120-R122 PolarHBondContact O-N 3.34Å; N120-R122 VanDerWaalsContact O-N 3.14Å
121	H	86.4	Confident	88.5	Confident	72 Å²	72	48.4 Å²	48.4	33%	0.333	26%	0.259	S	S	.	.	S	Bend	trans	60	20.2	-175.5	-50.5	-91.8	0	0	0	114.6	G118 Q119 T150 V151 K155	G118-H121 PolarHBondContact O-N 2.97Å; G118-H121 VanDerWaalsContact O-N 3.08Å; Q119-H121 VanDerWaalsContact C-N 3.27Å; Q119-H121 PolarHBondContact O-N 2.85Å; H121-T150 PolarHBondContact ND1-O 3.49Å; H121-V151 PolarHBondContact CE1-O 3.48Å; H121-V151 WeakPolarHBondContact ND1-CA 3.02Å; H121-K155 VanDerWaalsContact CE1-CE 3.46Å; H121-K155 WeakPolarHBondContact CE1-CE 3.04Å; H121-K155 WeakPolarHBondContact ND1-CE 3.15Å; H121-K155 PolarHBondContact ND1-NZ 3.16Å
122	R	89.7	Confident	89	Confident	167 Å²	167	41.9 Å²	41.9	63%	0.63	23%	0.228	S	C	*	.			trans	-90.2	128.2	174.8	-175.2	176.7	178.3	175.8	1	109.6	G118 N120 F124	G118-R122 PolarHBondContact N-O 3.39Å; N120-R122 PolarHBondContact O-N 3.34Å; N120-R122 VanDerWaalsContact O-N 3.14Å; R122-F124 HydrophobicContact CB-CE2 4.33Å; R122-F124 HydrophobicContact CG-CE2 4.33Å; R122-F124 HydrophobicContact CG-CZ 4.4Å
123	T	91.1	Very high	89.8	Confident	75 Å²	75	38.9 Å²	38.9	46%	0.46	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.9	171.2	-44.9	0	0	0	0	110.3	P115 C149	P115-T123 HydrophobicContact CB-CG2 4.29Å; T123-C149 WeakPolarHBondContact OG1-CB 3.1Å
124	F	91.6	Very high	90.3	Very high	14 Å²	14	37.9 Å²	37.9	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.7	169.3	-64.8	-91.3	0	0	0	109	P115 V116 R122 S126 Q129 A130 V141	P115-F124 VanDerWaalsContact CA-O 3.23Å; P115-F124 WeakPolarHBondContact CA-O 3.26Å; P115-F124 VanDerWaalsContact CB-O 3.23Å; P115-F124 WeakPolarHBondContact CB-O 3.46Å; V116-F124 PolarHBondContact N-O 2.99Å; V116-F124 PolarHBondContact O-N 3.42Å; R122-F124 HydrophobicContact CB-CE2 4.33Å; R122-F124 HydrophobicContact CG-CE2 4.33Å; R122-F124 HydrophobicContact CG-CZ 4.4Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 3.49Å; F124-Q129 HydrophobicContact CB-CB 4.39Å; F124-Q129 HydrophobicContact CD1-CB 4.07Å; F124-A130 HydrophobicContact CB-CB 4.1Å; F124-A130 HydrophobicContact CD1-CB 4.22Å; F124-A130 HydrophobicContact CD2-CB 3.89Å; F124-A130 HydrophobicContact CE2-CB 4.37Å; F124-A130 HydrophobicContact CG-CB 3.8Å; F124-V141 HydrophobicContact CD2-CG1 4.36Å; F124-V141 HydrophobicContact CE1-CG1 4.46Å; F124-V141 HydrophobicContact CE2-CG1 3.43Å; F124-V141 VanDerWaalsContact CE2-CG1 3.43Å; F124-V141 HydrophobicContact CZ-CG1 3.49Å; F124-V141 VanDerWaalsContact CZ-CG1 3.49Å
125	T	90.6	Very high	90.8	Very high	74 Å²	74	33.5 Å²	33.5	45%	0.454	17%	0.17	S	C	.	.	S	Bend	trans	-73.8	-24.4	-177.8	58.5	0	0	0	0	112.5	T110 Q129	T110-T125 VanDerWaalsContact CG2-OG1 3.32Å; T110-T125 WeakPolarHBondContact CG2-OG1 3.42Å; T125-Q129 PolarHBondContact OG1-NE2 2.8Å; T125-Q129 PolarHBondContact OG1-OE1 3.16Å
126	S	89.7	Confident	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-144.3	157.3	175.2	76.3	0	0	0	0	112.3	P109 F124 C128 Q129 A130	P109-S126 VanDerWaalsContact O-CB 3.3Å; P109-S126 WeakPolarHBondContact O-CB 3.02Å; P109-S126 PolarHBondContact O-OG 3.46Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 3.49Å; S126-C128 VanDerWaalsContact C-N 3.26Å; S126-C128 PolarHBondContact O-N 2.7Å; S126-Q129 PolarHBondContact O-N 2.84Å; S126-Q129 PolarHBondContact OG-N 3.36Å; S126-A130 PolarHBondContact O-N 2.86Å
127	Y	89.8	Confident	91.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-38.2	174.5	179.9	-112.1	0	0	0	112.4	W92 V116 Q129 A130 M131 V142 F145 R361	W92-Y127 HydrophobicContact CE3-CE1 4.46Å; W92-Y127 AromaticContact CH2-CE1 3.94Å; W92-Y127 HydrophobicContact CH2-CE1 3.94Å; W92-Y127 HydrophobicContact CZ3-CD1 4.17Å; W92-Y127 AromaticContact CZ3-CE1 3.63Å; W92-Y127 HydrophobicContact CZ3-CE1 3.63Å; V116-Y127 HydrophobicContact CG2-CD2 4.21Å; Y127-Q129 VanDerWaalsContact C-N 3.3Å; Y127-Q129 PolarHBondContact O-N 3.1Å; Y127-A130 PolarHBondContact O-N 2.05Å; Y127-M131 HydrophobicContact CD1-CG 4.07Å; Y127-M131 HydrophobicContact CD2-CG 4.07Å; Y127-M131 HydrophobicContact CE1-CG 3.51Å; Y127-M131 HydrophobicContact CE1-SD 4.43Å; Y127-M131 HydrophobicContact CE2-CG 3.52Å; Y127-M131 HydrophobicContact CE2-SD 3.67Å; Y127-M131 HydrophobicContact CG-CG 4.31Å; Y127-M131 VanDerWaalsContact CZ-SD 3.52Å; Y127-M131 WeakPolarHBondContact O-CG 3.36Å; Y127-M131 PolarHBondContact O-N 2.99Å; Y127-M131 WeakPolarHBondContact OH-CG 3.43Å; Y127-M131 PolarHBondContact OH-SD 2.03Å; Y127-V142 HydrophobicContact CD2-CG2 4.31Å; Y127-V142 HydrophobicContact CE2-CG1 4.31Å; Y127-V142 HydrophobicContact CE2-CG2 3.91Å; Y127-F145 HydrophobicContact CD2-CE1 4.12Å; Y127-F145 AromaticContact CD2-CZ 3.66Å; Y127-F145 HydrophobicContact CD2-CZ 3.66Å; Y127-F145 HydrophobicContact CE2-CZ 4.21Å; Y127-F145 HydrophobicContact CG-CE1 4.26Å; Y127-F145 HydrophobicContact CG-CZ 4.06Å; Y127-R361 HydrophobicContact CE2-CG 4.49Å; Y127-R361 WeakPolarHBondContact OH-CD 3.49Å; Y127-R361 PolarHBondContact OH-NE 2.91Å; Y127-R361 VanDerWaalsContact OH-NE 3.14Å
128	C	91.3	Very high	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-41.2	176.4	-176.6	0	0	0	0	111.8	C108 S126 A130 M131 A132	C108-C128 HydrophobicContact CB-CB 3.52Å; C108-C128 WeakPolarHBondContact CB-SG 3.35Å; C108-C128 WeakPolarHBondContact SG-CB 3.32Å; C108-C128 PolarHBondContact SG-O 2.95Å; C108-C128 CovalentContact SG-SG 2.05Å; C108-C128 PolarHBondContact SG-SG 2.85Å; S126-C128 VanDerWaalsContact C-N 3.26Å; S126-C128 PolarHBondContact O-N 2.7Å; C128-A130 PolarHBondContact O-N 3.48Å; C128-M131 PolarHBondContact O-N 3.46Å; C128-A132 VanDerWaalsContact O-CB 3.28Å; C128-A132 WeakPolarHBondContact O-CB 3.49Å; C128-A132 PolarHBondContact O-N 3.43Å
129	Q	92.7	Very high	91.2	Very high	34 Å²	34	56 Å²	56	16%	0.159	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-41.1	178.3	-68.7	-168.6	-14.9	0	0	113.1	P105 C108 T110 F124 T125 S126 Y127 S133	P105-Q129 HydrophobicContact CB-CB 4.3Å; P105-Q129 HydrophobicContact CB-CG 4.45Å; P105-Q129 WeakPolarHBondContact O-CG 3.43Å; C108-Q129 HydrophobicContact CB-CG 3.9Å; T110-Q129 VanDerWaalsContact CG2-NE2 3.33Å; F124-Q129 HydrophobicContact CB-CB 4.39Å; F124-Q129 HydrophobicContact CD1-CB 4.07Å; T125-Q129 PolarHBondContact OG1-NE2 2.8Å; T125-Q129 PolarHBondContact OG1-OE1 3.16Å; S126-Q129 PolarHBondContact O-N 2.84Å; S126-Q129 PolarHBondContact OG-N 3.36Å; Y127-Q129 VanDerWaalsContact C-N 3.3Å; Y127-Q129 PolarHBondContact O-N 3.1Å; Q129-S133 PolarHBondContact O-N 3.2Å; Q129-S133 VanDerWaalsContact O-N 3.11Å; Q129-S133 PolarHBondContact O-OG 2.79Å
130	A	92.4	Very high	91.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-46.1	177.1	0	0	0	0	0	110.2	V116 F124 S126 Y127 C128 S133 S134 V141 V142	V116-A130 HydrophobicContact CG1-CB 4.33Å; F124-A130 HydrophobicContact CB-CB 4.1Å; F124-A130 HydrophobicContact CD1-CB 4.22Å; F124-A130 HydrophobicContact CD2-CB 3.89Å; F124-A130 HydrophobicContact CE2-CB 4.37Å; F124-A130 HydrophobicContact CG-CB 3.8Å; S126-A130 PolarHBondContact O-N 2.86Å; Y127-A130 PolarHBondContact O-N 2.05Å; C128-A130 PolarHBondContact O-N 3.48Å; A130-S133 WeakPolarHBondContact O-CB 3.18Å; A130-S133 PolarHBondContact O-N 3.29Å; A130-S133 VanDerWaalsContact O-N 3.17Å; A130-S134 PolarHBondContact O-N 3.21Å; A130-V141 HydrophobicContact CB-CG1 4.24Å; A130-V142 HydrophobicContact CB-CG2 3.77Å
131	M	92.3	Very high	91.4	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-70.3	-34.4	178.9	-65.8	-51.1	-69.9	0	0	113.9	W92 Y127 C128 S133 S134 C135 V142 E241	W92-M131 HydrophobicContact CB-CB 4.05Å; W92-M131 HydrophobicContact CD2-CB 3.32Å; W92-M131 HydrophobicContact CD2-CG 4.08Å; W92-M131 HydrophobicContact CE3-CB 3.66Å; W92-M131 HydrophobicContact CE3-CG 4.04Å; W92-M131 HydrophobicContact CG-CB 3.5Å; W92-M131 VanDerWaalsContact CG-CB 3.5Å; W92-M131 HydrophobicContact CH2-CE 4.49Å; W92-M131 HydrophobicContact CH2-CG 4.27Å; W92-M131 HydrophobicContact CZ2-CB 4.26Å; W92-M131 HydrophobicContact CZ2-CE 3.93Å; W92-M131 HydrophobicContact CZ2-CG 4.3Å; W92-M131 HydrophobicContact CZ3-CB 4.25Å; W92-M131 HydrophobicContact CZ3-CG 4.14Å; Y127-M131 HydrophobicContact CD1-CG 4.07Å; Y127-M131 HydrophobicContact CD2-CG 4.07Å; Y127-M131 HydrophobicContact CE1-CG 3.51Å; Y127-M131 HydrophobicContact CE1-SD 4.43Å; Y127-M131 HydrophobicContact CE2-CG 3.52Å; Y127-M131 HydrophobicContact CE2-SD 3.67Å; Y127-M131 HydrophobicContact CG-CG 4.31Å; Y127-M131 VanDerWaalsContact CZ-SD 3.52Å; Y127-M131 WeakPolarHBondContact O-CG 3.36Å; Y127-M131 PolarHBondContact O-N 2.99Å; Y127-M131 WeakPolarHBondContact OH-CG 3.43Å; Y127-M131 PolarHBondContact OH-SD 2.03Å; C128-M131 PolarHBondContact O-N 3.46Å; M131-S133 PolarHBondContact O-N 3.32Å; M131-S134 PolarHBondContact O-N 2.03Å; M131-C135 VanDerWaalsContact O-CB 3.23Å; M131-C135 WeakPolarHBondContact O-CB 3.31Å; M131-C135 PolarHBondContact O-N 3.23Å; M131-V142 HydrophobicContact SD-CG2 3.74Å; M131-E241 HydrophobicContact CE-CB 4.46Å; M131-E241 HydrophobicContact CE-CG 4.13Å; M131-E241 WeakPolarHBondContact CE-OE2 3.41Å; M131-E241 HydrophobicContact SD-CG 3.98Å
132	A	93.5	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-38.2	170.9	0	0	0	0	0	110.8	W92 P105 C128 R136	W92-A132 HydrophobicContact CB-CB 3.96Å; P105-A132 HydrophobicContact CB-CB 4.43Å; P105-A132 HydrophobicContact CG-CB 4.15Å; C128-A132 VanDerWaalsContact O-CB 3.28Å; C128-A132 WeakPolarHBondContact O-CB 3.49Å; C128-A132 PolarHBondContact O-N 3.43Å; A132-R136 WeakPolarHBondContact O-CG 2.99Å; A132-R136 PolarHBondContact O-N 3.42Å; A132-R136 VanDerWaalsContact O-N 3.17Å
133	S	93.8	Very high	91.5	Very high	20 Å²	20	39.3 Å²	39.3	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-43.6	174.7	-54.7	0	0	0	0	112	P105 Q129 A130 M131 C135 R136 T137	P105-S133 WeakPolarHBondContact CG-OG 3.24Å; Q129-S133 PolarHBondContact O-N 3.2Å; Q129-S133 VanDerWaalsContact O-N 3.11Å; Q129-S133 PolarHBondContact O-OG 2.79Å; A130-S133 WeakPolarHBondContact O-CB 3.18Å; A130-S133 PolarHBondContact O-N 3.29Å; A130-S133 VanDerWaalsContact O-N 3.17Å; M131-S133 PolarHBondContact O-N 3.32Å; S133-C135 PolarHBondContact O-N 2.86Å; S133-R136 PolarHBondContact O-N 3.47Å; S133-T137 WeakPolarHBondContact O-CB 3.27Å; S133-T137 WeakPolarHBondContact O-CG2 3.42Å; S133-T137 PolarHBondContact O-N 3.02Å; S133-T137 PolarHBondContact O-OG1 3.41Å
134	S	93.1	Very high	91.2	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-49.7	174.5	-179	0	0	0	0	110.7	A130 M131 R136 T137 K138 K139 E241	A130-S134 PolarHBondContact O-N 3.21Å; M131-S134 PolarHBondContact O-N 2.03Å; S134-R136 PolarHBondContact O-N 2.73Å; S134-T137 PolarHBondContact O-N 3.04Å; S134-T137 PolarHBondContact O-OG1 2.85Å; S134-K138 WeakPolarHBondContact O-CA 3.46Å; S134-K138 PolarHBondContact O-N 2.86Å; S134-K139 WeakPolarHBondContact CA-O 3.49Å; S134-K139 PolarHBondContact O-N 3.32Å; S134-K139 PolarHBondContact OG-O 2.78Å; S134-K139 VanDerWaalsContact OG-O 3.05Å; S134-E241 PolarHBondContact OG-OE1 2.94Å; S134-E241 VanDerWaalsContact OG-OE1 3.06Å
135	C	93.4	Very high	90.8	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.081	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-46.6	178.4	-172.1	0	0	0	0	113	Q93 C102 M131 S133 K138	Q93-C135 PolarHBondContact NE2-SG 3.44Å; C102-C135 HydrophobicContact CB-CB 3.77Å; C102-C135 WeakPolarHBondContact CB-SG 3.24Å; C102-C135 WeakPolarHBondContact SG-CB 3.15Å; C102-C135 PolarHBondContact SG-O 3.35Å; C102-C135 CovalentContact SG-SG 2.03Å; C102-C135 PolarHBondContact SG-SG 3.04Å; M131-C135 VanDerWaalsContact O-CB 3.23Å; M131-C135 WeakPolarHBondContact O-CB 3.31Å; M131-C135 PolarHBondContact O-N 3.23Å; S133-C135 PolarHBondContact O-N 2.86Å; C135-K138 WeakPolarHBondContact O-CD 3.3Å; C135-K138 WeakPolarHBondContact O-CE 3.22Å
136	R	93.8	Very high	90.2	Very high	146 Å²	146	35.9 Å²	35.9	55%	0.551	18%	0.177	S	C	*	.	H	α-helix	trans	-72.3	-34.9	-178.2	-72.4	-177.9	68.6	-131.4	0.8	113.2	C102 K103 A132 S133 S134	C102-R136 HydrophobicContact CB-CG 3.54Å; K103-R136 WeakPolarHBondContact O-CD 3.11Å; A132-R136 WeakPolarHBondContact O-CG 2.99Å; A132-R136 PolarHBondContact O-N 3.42Å; A132-R136 VanDerWaalsContact O-N 3.17Å; S133-R136 PolarHBondContact O-N 3.47Å; S134-R136 PolarHBondContact O-N 2.73Å
137	T	92.4	Very high	89.5	Confident	76 Å²	76	41.9 Å²	41.9	47%	0.466	21%	0.209	S	C	.	.	H	α-helix	trans	-91.6	-13.4	-177.2	59.5	0	0	0	0	113.3	S133 S134 K139	S133-T137 WeakPolarHBondContact O-CB 3.27Å; S133-T137 WeakPolarHBondContact O-CG2 3.42Å; S133-T137 PolarHBondContact O-N 3.02Å; S133-T137 PolarHBondContact O-OG1 3.41Å; S134-T137 PolarHBondContact O-N 3.04Å; S134-T137 PolarHBondContact O-OG1 2.85Å; T137-K139 PolarHBondContact O-N 3.11Å
138	K	90	Very high	89.1	Confident	141 Å²	141	45.6 Å²	45.6	61%	0.613	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	38.1	-173.8	-56.7	-64.5	-176.6	-179.8	0	112.2	S134 C135	S134-K138 WeakPolarHBondContact O-CA 3.46Å; S134-K138 PolarHBondContact O-N 2.86Å; C135-K138 WeakPolarHBondContact O-CD 3.3Å; C135-K138 WeakPolarHBondContact O-CE 3.22Å
139	K	90.1	Very high	88.7	Confident	140 Å²	140	46.3 Å²	46.3	61%	0.609	23%	0.233	S	C	*	.	S	Bend	trans	-135.4	144.9	-179.5	-69.6	-179	-176.4	-175.7	0	109.9	S134 T137 V141	S134-K139 WeakPolarHBondContact CA-O 3.49Å; S134-K139 PolarHBondContact O-N 3.32Å; S134-K139 PolarHBondContact OG-O 2.78Å; S134-K139 VanDerWaalsContact OG-O 3.05Å; T137-K139 PolarHBondContact O-N 3.11Å; K139-V141 PolarHBondContact O-N 3.12Å
140	P	89.8	Confident	88.2	Confident	52 Å²	52	48 Å²	48	34%	0.338	25%	0.246	S	C	.	.			trans	-63.8	125.7	175.1	28.2	-34.5	0	0	0	109.8	M237	P140-M237 HydrophobicContact CB-CB 4.49Å
141	V	92.1	Very high	87.7	Confident	22 Å²	22	53.2 Å²	53.2	13%	0.133	28%	0.278	C	S	.	.			trans	-109.2	-31.3	-177.7	170.2	0	0	0	0	111.8	G118 Q119 F124 A130 K139	G118-V141 CarbonylContact C-O 3.55Å; G118-V141 WeakPolarHBondContact CA-O 3.31Å; Q119-V141 PolarHBondContact N-O 2.73Å; Q119-V141 PolarHBondContact OE1-O 3.31Å; Q119-V141 VanDerWaalsContact OE1-O 3.06Å; F124-V141 HydrophobicContact CD2-CG1 4.36Å; F124-V141 HydrophobicContact CE1-CG1 4.46Å; F124-V141 HydrophobicContact CE2-CG1 3.43Å; F124-V141 VanDerWaalsContact CE2-CG1 3.43Å; F124-V141 HydrophobicContact CZ-CG1 3.49Å; F124-V141 VanDerWaalsContact CZ-CG1 3.49Å; A130-V141 HydrophobicContact CB-CG1 4.24Å; K139-V141 PolarHBondContact O-N 3.12Å
142	V	90	Very high	87.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.4	-167.9	175.9	0	0	0	0	111.6	V116 Q119 Y127 A130 M131 A240 E241	V116-V142 HydrophobicContact CG1-CB 4.45Å; V116-V142 HydrophobicContact CG1-CG1 3.77Å; V116-V142 HydrophobicContact CG1-CG2 4.25Å; Q119-V142 VanDerWaalsContact CD-O 3.31Å; Q119-V142 PolarHBondContact NE2-O 2.85Å; Q119-V142 PolarHBondContact OE1-O 2.97Å; Y127-V142 HydrophobicContact CD2-CG2 4.31Å; Y127-V142 HydrophobicContact CE2-CG1 4.31Å; Y127-V142 HydrophobicContact CE2-CG2 3.91Å; A130-V142 HydrophobicContact CB-CG2 3.77Å; M131-V142 HydrophobicContact SD-CG2 3.74Å; V142-A240 VanDerWaalsContact O-CB 3.29Å; V142-A240 WeakPolarHBondContact O-CB 3.42Å; V142-E241 HydrophobicContact CB-CG 4.17Å; V142-E241 HydrophobicContact CG2-CG 4.45Å
143	S	88.6	Confident	86.4	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.035	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-59.1	173.9	174.1	0	0	0	0	111.1	C117 K155 Y156	C117-S143 WeakPolarHBondContact O-CB 3.44Å; C117-S143 PolarHBondContact O-N 2.73Å; S143-K155 WeakPolarHBondContact OG-CA 3.26Å; S143-Y156 WeakPolarHBondContact O-CB 3.26Å; S143-Y156 PolarHBondContact OG-N 2.04Å
144	H	85.1	Confident	85.9	Confident	29 Å²	29	63.2 Å²	63.2	13%	0.134	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	161	-176.2	60.1	-81.7	0	0	0	111	C117 I148 P172	C117-H144 PolarHBondContact N-O 3.38Å; C117-H144 PolarHBondContact O-N 2.92Å; H144-I148 PolarHBondContact NE2-O 2.93Å; H144-P172 HydrophobicContact CB-CG 3.72Å; H144-P172 WeakPolarHBondContact ND1-CG 3.24Å
145	F	82.4	Confident	85.6	Confident	42 Å²	42	63.9 Å²	63.9	18%	0.184	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	144.9	175.5	-74.4	-86.2	0	0	0	111.7	V116 Y127 I359 R361 E364	V116-F145 HydrophobicContact CG2-CD1 3.71Å; V116-F145 HydrophobicContact CG2-CE1 3.56Å; V116-F145 HydrophobicContact CG2-CZ 4.32Å; Y127-F145 HydrophobicContact CD2-CE1 4.12Å; Y127-F145 AromaticContact CD2-CZ 3.66Å; Y127-F145 HydrophobicContact CD2-CZ 3.66Å; Y127-F145 HydrophobicContact CE2-CZ 4.21Å; Y127-F145 HydrophobicContact CG-CE1 4.26Å; Y127-F145 HydrophobicContact CG-CZ 4.06Å; F145-I359 HydrophobicContact CB-CB 4.18Å; F145-I359 HydrophobicContact CB-CD1 3.8Å; F145-I359 HydrophobicContact CD1-CB 4.43Å; F145-I359 HydrophobicContact CD1-CG2 4.15Å; F145-I359 HydrophobicContact CD2-CB 4.5Å; F145-I359 HydrophobicContact CG-CB 4.1Å; F145-I359 HydrophobicContact CG-CD1 4.48Å; F145-I359 HydrophobicContact CG-CG2 4.31Å; F145-R361 HydrophobicContact CE2-CG 3.61Å; F145-R361 HydrophobicContact CZ-CG 3.61Å; F145-E364 HydrophobicContact CE1-CG 4.04Å
146	G	78.9	Confident	85.4	Confident	20 Å²	20	63.7 Å²	63.7	21%	0.206	33%	0.332	C	S	.	.	S	Bend	trans	124.9	171.4	171.9	0	0	0	0	0	114.3	P115 I148	P115-G146 PolarHBondContact O-N 2.89Å; G146-I148 VanDerWaalsContact C-N 3.3Å; G146-I148 PolarHBondContact O-N 2.97Å
147	N	75.2	Confident	85.2	Confident	126 Å²	126	61.6 Å²	61.6	67%	0.674	33%	0.329	S	S	*	.	S	Bend	trans	-81.6	-12.8	-173.7	-57.6	4.6	0	0	0	112.6	P115 C149	P115-N147 WeakPolarHBondContact CD-OD1 3.1Å; P115-N147 HydrophobicContact CG-CB 4.49Å; P115-N147 WeakPolarHBondContact CG-OD1 3.2Å; N147-C149 PolarHBondContact O-N 3.45Å
148	I	79.8	Confident	85.2	Confident	83 Å²	83	58.7 Å²	58.7	43%	0.426	31%	0.312	S	S	.	.			trans	-92.6	85.6	-168	-31.6	-179	0	0	0	110	H144 G146 I153 A174	H144-I148 PolarHBondContact NE2-O 2.93Å; G146-I148 VanDerWaalsContact C-N 3.3Å; G146-I148 PolarHBondContact O-N 2.97Å; I148-I153 HydrophobicContact CB-CD1 3.76Å; I148-I153 HydrophobicContact CG2-CD1 3.08Å; I148-I153 WeakPolarHBondContact O-CD1 3.38Å; I148-A174 WeakPolarHBondContact CD1-O 3.44Å
149	C	84.1	Confident	85.3	Confident	14 Å²	14	56 Å²	56	10%	0.095	30%	0.3	C	S	.	.			trans	-122.2	63.2	-176.2	-162.3	0	0	0	0	112	C117 T123 N147	C117-C149 WeakPolarHBondContact CA-SG 3.43Å; C117-C149 HydrophobicContact CB-CB 3.54Å; C117-C149 WeakPolarHBondContact CB-SG 3.24Å; C117-C149 WeakPolarHBondContact SG-CA 3.33Å; C117-C149 WeakPolarHBondContact SG-CB 3.48Å; C117-C149 CovalentContact SG-SG 2.04Å; C117-C149 PolarHBondContact SG-SG 3.31Å; T123-C149 WeakPolarHBondContact OG1-CB 3.1Å; N147-C149 PolarHBondContact O-N 3.45Å
150	T	81.8	Confident	85.3	Confident	70 Å²	70	50.9 Å²	50.9	43%	0.429	28%	0.28	S	S	.	.			trans	-97.8	170.9	177.9	64.6	0	0	0	0	111.7	H121 N152 I153 K155	H121-T150 PolarHBondContact ND1-O 3.49Å; T150-N152 PolarHBondContact O-N 2.96Å; T150-I153 PolarHBondContact O-N 2.88Å; T150-I153 WeakPolarHBondContact OG1-CD1 3.44Å; T150-I153 WeakPolarHBondContact OG1-CG1 3.18Å; T150-K155 PolarHBondContact O-NZ 3.42Å
151	V	81.3	Confident	85.3	Confident	110 Å²	110	50.8 Å²	50.8	67%	0.667	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.7	176	-176.6	0	0	0	0	111.8	H121 I153	H121-V151 PolarHBondContact CE1-O 3.48Å; H121-V151 WeakPolarHBondContact ND1-CA 3.02Å; V151-I153 VanDerWaalsContact C-N 3.3Å; V151-I153 PolarHBondContact O-N 3.23Å
152	N	80.6	Confident	84.9	Confident	152 Å²	152	59.2 Å²	59.2	81%	0.813	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-11	-175.1	-61.1	-17.8	0	0	0	113.7	T150	T150-N152 PolarHBondContact O-N 2.96Å
153	I	78.9	Confident	84.5	Confident	30 Å²	30	66.7 Å²	66.7	15%	0.154	35%	0.351	C	S	.	.	S	Bend	trans	-93.1	121.5	-178.8	-67.1	169.9	0	0	0	108.4	I148 T150 V151 K155	I148-I153 HydrophobicContact CB-CD1 3.76Å; I148-I153 HydrophobicContact CG2-CD1 3.08Å; I148-I153 WeakPolarHBondContact O-CD1 3.38Å; T150-I153 PolarHBondContact O-N 2.88Å; T150-I153 WeakPolarHBondContact OG1-CD1 3.44Å; T150-I153 WeakPolarHBondContact OG1-CG1 3.18Å; V151-I153 VanDerWaalsContact C-N 3.3Å; V151-I153 PolarHBondContact O-N 3.23Å; I153-K155 PolarHBondContact O-NZ 3.2Å; I153-K155 VanDerWaalsContact O-NZ 3.16Å
154	P	83.3	Confident	84.3	Confident	54 Å²	54	69.5 Å²	69.5	35%	0.351	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-61.5	153.9	-179.7	30.6	-36.7	0	0	0	109.9	F170 P172	P154-F170 HydrophobicContact CB-CE1 3.51Å; P154-F170 HydrophobicContact CB-CZ 3.68Å; P154-F170 HydrophobicContact CG-CE1 3.69Å; P154-F170 HydrophobicContact CG-CZ 3.57Å; P154-P172 WeakPolarHBondContact O-CB 3.48Å
155	K	86.1	Confident	84.4	Confident	17 Å²	17	68.6 Å²	68.6	7%	0.074	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-102.9	163	179.5	-57.4	-56.2	173.2	-144.1	0	110	C117 H121 S143 T150 I153 Q157 F170	C117-K155 PolarHBondContact SG-NZ 3.16Å; H121-K155 VanDerWaalsContact CE1-CE 3.46Å; H121-K155 WeakPolarHBondContact CE1-CE 3.04Å; H121-K155 WeakPolarHBondContact ND1-CE 3.15Å; H121-K155 PolarHBondContact ND1-NZ 3.16Å; S143-K155 WeakPolarHBondContact OG-CA 3.26Å; T150-K155 PolarHBondContact O-NZ 3.42Å; I153-K155 PolarHBondContact O-NZ 3.2Å; I153-K155 VanDerWaalsContact O-NZ 3.16Å; K155-Q157 PolarHBondContact O-N 3.41Å; K155-F170 WeakPolarHBondContact O-CD1 3.32Å
156	Y	88.8	Confident	84.8	Confident	8 Å²	8	67 Å²	67	3%	0.031	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-55.6	134.5	172	177.3	-86.7	0	0	0	109.9	S143 V169 F170 L171 L239 A240 I244	S143-Y156 WeakPolarHBondContact O-CB 3.26Å; S143-Y156 PolarHBondContact OG-N 2.04Å; Y156-V169 HydrophobicContact CE2-CB 4.28Å; Y156-V169 VanDerWaalsContact OH-CG1 3.27Å; Y156-V169 WeakPolarHBondContact OH-CG1 2.9Å; Y156-F170 WeakPolarHBondContact CA-O 2.99Å; Y156-F170 WeakPolarHBondContact CD2-O 3.39Å; Y156-L171 HydrophobicContact CD2-CD2 3.68Å; Y156-L171 HydrophobicContact CE2-CD2 3.58Å; Y156-L239 WeakPolarHBondContact OH-CB 3.36Å; Y156-A240 HydrophobicContact CD1-CB 3.62Å; Y156-A240 HydrophobicContact CD2-CB 4.01Å; Y156-A240 HydrophobicContact CE1-CB 3.94Å; Y156-A240 HydrophobicContact CE2-CB 4.3Å; Y156-A240 HydrophobicContact CG-CB 3.66Å; Y156-I244 HydrophobicContact CE2-CD1 4.25Å
157	Q	89.9	Confident	85.3	Confident	102 Å²	102	66 Å²	66	48%	0.477	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.7	173.7	-63.6	176.9	-0.9	0	0	108.3	K155 F159 V169 F170	K155-Q157 PolarHBondContact O-N 3.41Å; Q157-F159 HydrophobicContact CB-CE2 3.88Å; Q157-F159 HydrophobicContact CB-CZ 3.94Å; Q157-V169 CarbonylContact O-C 3.58Å; Q157-F170 HydrophobicContact CB-CB 4.15Å; Q157-F170 PolarHBondContact N-O 3.15Å; Q157-F170 PolarHBondContact O-N 3.27Å
158	S	91.8	Very high	86.1	Confident	15 Å²	15	64.1 Å²	64.1	11%	0.105	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.1	167.1	54.9	0	0	0	0	109.3	R168 E199 H200	S158-R168 CarbonylContact C-O 3.56Å; S158-R168 WeakPolarHBondContact CA-O 3.42Å; S158-E199 PolarHBondContact OG-OE1 2.93Å; S158-E199 PolarHBondContact OG-OE2 3.08Å; S158-H200 PolarHBondContact O-CE1 3.12Å; S158-H200 VanDerWaalsContact O-CE1 3.23Å; S158-H200 PolarHBondContact OG-NE2 2.85Å
159	F	92.1	Very high	86.6	Confident	84 Å²	84	60.1 Å²	60.1	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.4	177.8	-53.3	-90.5	0	0	0	108.5	Q157 I167 R168 F170	Q157-F159 HydrophobicContact CB-CE2 3.88Å; Q157-F159 HydrophobicContact CB-CZ 3.94Å; F159-I167 WeakPolarHBondContact O-CA 3.26Å; F159-R168 HydrophobicContact CB-CB 4.31Å; F159-R168 HydrophobicContact CD2-CB 4.43Å; F159-R168 PolarHBondContact N-O 2.99Å; F159-R168 PolarHBondContact O-N 2.8Å; F159-F170 HydrophobicContact CE2-CB 4.5Å
160	L	91.5	Very high	86.7	Confident	34 Å²	34	60.6 Å²	60.6	18%	0.178	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.3	171.7	178	69.5	0	0	0	109	G165 I167 H200 C260	L160-G165 WeakPolarHBondContact CD1-O 3.38Å; L160-I167 HydrophobicContact CD1-CD1 4.42Å; L160-I167 HydrophobicContact CD1-CG1 3.64Å; L160-H200 HydrophobicContact CB-CB 4.37Å; L160-H200 WeakPolarHBondContact CB-CD2 3.27Å; L160-H200 HydrophobicContact CD2-CB 4.14Å; L160-H200 PolarHBondContact N-NE2 3.27Å; L160-C260 WeakPolarHBondContact CD2-SG 3.41Å
161	D	89.3	Confident	86.7	Confident	49 Å²	49	58 Å²	58	26%	0.262	30%	0.297	S	S	.	.			trans	-73.6	127.2	172.6	-170.5	-78.4	0	0	0	110	D163 T164 G165 L166	D161-D163 VanDerWaalsContact C-N 3.35Å; D161-D163 PolarHBondContact OD1-N 2.87Å; D161-T164 VanDerWaalsContact CB-OG1 3.3Å; D161-T164 WeakPolarHBondContact CB-OG1 3.2Å; D161-T164 PolarHBondContact OD1-N 3.06Å; D161-T164 PolarHBondContact OD1-OG1 2.94Å; D161-G165 WeakPolarHBondContact O-CA 3.36Å; D161-G165 PolarHBondContact O-N 2.83Å; D161-L166 HydrophobicContact CB-CB 4.27Å; D161-L166 PolarHBondContact N-O 3.39Å
162	K	83.9	Confident	86.5	Confident	200 Å²	200	53.3 Å²	53.3	87%	0.87	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-23.6	-173.2	-70.3	-176.4	178.7	179.6	0	113.6
163	D	81.6	Confident	85.7	Confident	156 Å²	156	48.8 Å²	48.8	83%	0.834	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-40.6	-172.8	-60.2	-36.6	0	0	0	110.3	D161	D161-D163 VanDerWaalsContact C-N 3.35Å; D161-D163 PolarHBondContact OD1-N 2.87Å
164	T	83.4	Confident	84.3	Confident	64 Å²	64	51 Å²	51	39%	0.393	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-16.5	-178.7	58.4	0	0	0	0	113.7	D161 L166 L217	D161-T164 VanDerWaalsContact CB-OG1 3.3Å; D161-T164 WeakPolarHBondContact CB-OG1 3.2Å; D161-T164 PolarHBondContact OD1-N 3.06Å; D161-T164 PolarHBondContact OD1-OG1 2.94Å; T164-L166 PolarHBondContact O-N 3.49Å; T164-L166 WeakPolarHBondContact OG1-CB 3.41Å; T164-L166 PolarHBondContact OG1-N 3.31Å; T164-L217 HydrophobicContact CG2-CD2 4.48Å
165	G	87.2	Confident	82.7	Confident	11 Å²	11	54.3 Å²	54.3	11%	0.113	29%	0.287	C	S	.	.			trans	70	6.1	-171.4	0	0	0	0	0	113.6	L160 D161 A257 A258	L160-G165 WeakPolarHBondContact CD1-O 3.38Å; D161-G165 WeakPolarHBondContact O-CA 3.36Å; D161-G165 PolarHBondContact O-N 2.83Å; G165-A257 CarbonylContact O-C 3.57Å; G165-A257 VanDerWaalsContact O-CA 3.24Å; G165-A257 WeakPolarHBondContact O-CA 3.36Å; G165-A257 WeakPolarHBondContact O-CB 3.5Å; G165-A258 PolarHBondContact O-N 3.35Å
166	L	90.8	Very high	80.8	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-69.4	135.8	-176.1	-172.3	72.3	0	0	0	111.1	D161 T164 L182 L217 L223 V255	D161-L166 HydrophobicContact CB-CB 4.27Å; D161-L166 PolarHBondContact N-O 3.39Å; T164-L166 PolarHBondContact O-N 3.49Å; T164-L166 WeakPolarHBondContact OG1-CB 3.41Å; T164-L166 PolarHBondContact OG1-N 3.31Å; L166-L182 HydrophobicContact CD2-CD2 4.08Å; L166-L182 HydrophobicContact CG-CD2 4.38Å; L166-L217 HydrophobicContact CD1-CD1 4.11Å; L166-L217 HydrophobicContact CD2-CD1 4.1Å; L166-L223 HydrophobicContact CD2-CD2 3.65Å; L166-V255 HydrophobicContact CD1-CB 4.25Å; L166-V255 HydrophobicContact CD1-CG2 3.57Å
167	I	91.1	Very high	79.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128	-179.6	-59.7	161.6	0	0	0	110.3	F159 L160 V169 L183 W188 A196 L239 A258	F159-I167 WeakPolarHBondContact O-CA 3.26Å; L160-I167 HydrophobicContact CD1-CD1 4.42Å; L160-I167 HydrophobicContact CD1-CG1 3.64Å; I167-V169 HydrophobicContact CG2-CG1 4.3Å; I167-L183 HydrophobicContact CB-CD1 4Å; I167-L183 HydrophobicContact CB-CG 4.41Å; I167-L183 HydrophobicContact CD1-CD1 4.41Å; I167-L183 HydrophobicContact CG2-CD1 3.58Å; I167-L183 HydrophobicContact CG2-CG 4.1Å; I167-W188 HydrophobicContact CD1-CH2 3.42Å; I167-W188 VanDerWaalsContact CD1-CH2 3.42Å; I167-W188 HydrophobicContact CD1-CZ2 3.45Å; I167-W188 VanDerWaalsContact CD1-CZ2 3.45Å; I167-A196 HydrophobicContact CD1-CB 3.64Å; I167-L239 HydrophobicContact CG2-CD1 4.13Å; I167-A258 HydrophobicContact CD1-CB 4.03Å
168	R	90.6	Very high	77.7	Confident	86 Å²	86	63 Å²	63	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.7	172.9	-63.4	-179.1	-76.5	-172	-7.7	109.5	S158 F159 L181 L182	S158-R168 CarbonylContact C-O 3.56Å; S158-R168 WeakPolarHBondContact CA-O 3.42Å; F159-R168 HydrophobicContact CB-CB 4.31Å; F159-R168 HydrophobicContact CD2-CB 4.43Å; F159-R168 PolarHBondContact N-O 2.99Å; F159-R168 PolarHBondContact O-N 2.8Å; R168-L181 WeakPolarHBondContact CA-O 3.05Å; R168-L182 HydrophobicContact CG-CD2 3.71Å
169	V	90.4	Very high	76.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.5	177.1	-60.6	0	0	0	0	110.6	Y156 Q157 I167 L171 L181 L183 V228 L239	Y156-V169 HydrophobicContact CE2-CB 4.28Å; Y156-V169 VanDerWaalsContact OH-CG1 3.27Å; Y156-V169 WeakPolarHBondContact OH-CG1 2.9Å; Q157-V169 CarbonylContact O-C 3.58Å; I167-V169 HydrophobicContact CG2-CG1 4.3Å; V169-L171 HydrophobicContact CG2-CG 4.44Å; V169-L181 HydrophobicContact CG2-CB 4.13Å; V169-L181 PolarHBondContact N-O 2.81Å; V169-L181 PolarHBondContact O-N 3.44Å; V169-L183 HydrophobicContact CG1-CD1 4.47Å; V169-L183 HydrophobicContact CG1-CD2 3.86Å; V169-L183 HydrophobicContact CG1-CG 4.26Å; V169-L183 HydrophobicContact CG2-CD2 3.82Å; V169-V228 HydrophobicContact CG2-CG2 4.01Å; V169-L239 HydrophobicContact CG1-CD1 4.31Å
170	F	87.4	Confident	76.4	Confident	23 Å²	23	65.7 Å²	65.7	10%	0.101	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.5	171.7	178.1	-88	0	0	0	108.1	P154 K155 Y156 Q157 F159 P172 N180	P154-F170 HydrophobicContact CB-CE1 3.51Å; P154-F170 HydrophobicContact CB-CZ 3.68Å; P154-F170 HydrophobicContact CG-CE1 3.69Å; P154-F170 HydrophobicContact CG-CZ 3.57Å; K155-F170 WeakPolarHBondContact O-CD1 3.32Å; Y156-F170 WeakPolarHBondContact CA-O 2.99Å; Y156-F170 WeakPolarHBondContact CD2-O 3.39Å; Q157-F170 HydrophobicContact CB-CB 4.15Å; Q157-F170 PolarHBondContact N-O 3.15Å; Q157-F170 PolarHBondContact O-N 3.27Å; F159-F170 HydrophobicContact CE2-CB 4.5Å; F170-P172 HydrophobicContact CE1-CB 4.38Å; F170-N180 WeakPolarHBondContact CD2-OD1 3.15Å
171	L	81.1	Confident	76.3	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.084	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-101.7	119.9	178.2	-60.7	-177.8	0	0	0	109.9	Y156 V169 N173 L181 V228 I244	Y156-L171 HydrophobicContact CD2-CD2 3.68Å; Y156-L171 HydrophobicContact CE2-CD2 3.58Å; V169-L171 HydrophobicContact CG2-CG 4.44Å; L171-N173 PolarHBondContact O-N 3.09Å; L171-L181 HydrophobicContact CD1-CD1 3.83Å; L171-L181 HydrophobicContact CG-CD1 4.26Å; L171-V228 HydrophobicContact CD1-CG1 4.38Å; L171-V228 HydrophobicContact CD1-CG2 4.46Å; L171-I244 HydrophobicContact CD1-CG2 3.97Å; L171-I244 HydrophobicContact CD2-CD1 3.72Å
172	P	76.1	Confident	76.3	Confident	11 Å²	11	61.9 Å²	61.9	7%	0.071	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.5	116.5	175.2	30.1	-33.1	0	0	0	109.8	H144 P154 F170	H144-P172 HydrophobicContact CB-CG 3.72Å; H144-P172 WeakPolarHBondContact ND1-CG 3.24Å; P154-P172 WeakPolarHBondContact O-CB 3.48Å; F170-P172 HydrophobicContact CE1-CB 4.38Å
173	N	64.9	Low	76.7	Confident	58 Å²	58	52.4 Å²	52.4	31%	0.31	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-85.2	147.2	178	-152.3	-11.9	0	0	0	111.2	L171 T175 G176	L171-N173 PolarHBondContact O-N 3.09Å; N173-T175 PolarHBondContact O-N 3.07Å; N173-G176 PolarHBondContact O-N 2.89Å
174	A	49.5	Very low	77.1	Confident	77 Å²	77	45.3 Å²	45.3	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.2	-176.7	0	0	0	0	0	113.7	I148	I148-A174 WeakPolarHBondContact CD1-O 3.44Å
175	T	49.9	Very low	77.5	Confident	123 Å²	123	46.5 Å²	46.5	76%	0.755	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	2	177.4	53	0	0	0	0	113.9	N173 G177	N173-T175 PolarHBondContact O-N 3.07Å; T175-G177 VanDerWaalsContact C-N 3.32Å
176	G	46	Very low	77.4	Confident	47 Å²	47	50.9 Å²	50.9	49%	0.485	27%	0.274	S	S	.	.			trans	78.7	11.2	-178.2	0	0	0	0	0	114.9	N173	N173-G176 PolarHBondContact O-N 2.89Å
177	G	52.3	Low	77	Confident	34 Å²	34	53.6 Å²	53.6	35%	0.351	29%	0.289	S	S	.	.			trans	-64.3	140.7	173.8	0	0	0	0	0	112.7	T175	T175-G177 VanDerWaalsContact C-N 3.32Å
178	R	60.3	Low	77.1	Confident	228 Å²	228	54.9 Å²	54.9	86%	0.86	29%	0.294	S	S	*	.			trans	-100.5	114.8	-179.5	-57.1	172.6	-175.5	172.2	-0.1	108.8
179	E	72.4	Confident	77.3	Confident	70 Å²	70	52.2 Å²	52.2	33%	0.327	29%	0.286	S	S	.	.			trans	-147	116.4	171.2	-153.5	169.1	158.6	0	0	110.7	L181 R226 K247	E179-L181 HydrophobicContact CG-CD2 3.84Å; E179-L181 HydrophobicContact CG-CG 4.27Å; E179-R226 WeakPolarHBondContact OE1-CD 3.42Å; E179-K247 WeakPolarHBondContact OE1-CE 3.46Å; E179-K247 IonicContact OE1-NZ 3.11Å; E179-K247 PolarHBondContact OE1-NZ 3.04Å; E179-K247 IonicContact OE2-NZ 3.98Å; E179-K247 PolarHBondContact OE2-NZ 3.17Å
180	N	84.6	Confident	77.5	Confident	85 Å²	85	53 Å²	53	46%	0.455	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.1	163.3	-70.1	-38	0	0	0	107.3	F170 P224	F170-N180 WeakPolarHBondContact CD2-OD1 3.15Å; N180-P224 HydrophobicContact CB-CG 3.88Å; N180-P224 WeakPolarHBondContact O-CB 3.13Å; N180-P224 WeakPolarHBondContact O-CG 3.38Å
181	L	88.8	Confident	77.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.4	-177.6	-63.5	167.1	0	0	0	109.5	R168 V169 L171 E179 R226 V228	R168-L181 WeakPolarHBondContact CA-O 3.05Å; V169-L181 HydrophobicContact CG2-CB 4.13Å; V169-L181 PolarHBondContact N-O 2.81Å; V169-L181 PolarHBondContact O-N 3.44Å; L171-L181 HydrophobicContact CD1-CD1 3.83Å; L171-L181 HydrophobicContact CG-CD1 4.26Å; E179-L181 HydrophobicContact CG-CD2 3.84Å; E179-L181 HydrophobicContact CG-CG 4.27Å; L181-R226 HydrophobicContact CD2-CB 3.68Å; L181-V228 HydrophobicContact CB-CG2 4.45Å; L181-V228 HydrophobicContact CD1-CG1 3.82Å
182	L	90.4	Very high	78.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	168.4	166.9	-61.6	-178.3	0	0	0	110.4	L166 R168 Y214 L223 P224 R226 C227 V228 A250 V255	L166-L182 HydrophobicContact CD2-CD2 4.08Å; L166-L182 HydrophobicContact CG-CD2 4.38Å; R168-L182 HydrophobicContact CG-CD2 3.71Å; L182-Y214 HydrophobicContact CD1-CD2 3.63Å; L182-Y214 HydrophobicContact CD1-CE2 3.52Å; L182-L223 HydrophobicContact CD2-CD2 4.35Å; L182-P224 HydrophobicContact CD2-CG 4.41Å; L182-P224 HydrophobicContact CG-CB 4.32Å; L182-P224 HydrophobicContact CG-CG 4.35Å; L182-R226 PolarHBondContact N-O 3.27Å; L182-C227 HydrophobicContact CB-CB 3.96Å; L182-C227 CarbonylContact O-C 3.55Å; L182-C227 WeakPolarHBondContact O-CA 3.42Å; L182-C227 WeakPolarHBondContact O-CB 3.24Å; L182-V228 PolarHBondContact O-N 3.49Å; L182-A250 HydrophobicContact CD1-CB 4.4Å; L182-V255 HydrophobicContact CB-CG1 4.18Å; L182-V255 HydrophobicContact CD1-CB 4.42Å; L182-V255 HydrophobicContact CD1-CG1 3.83Å
183	L	91.8	Very high	79.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133	168.6	-63.5	-170	0	0	0	109.2	I167 V169 W188 V228 V230 L239 V255 A256	I167-L183 HydrophobicContact CB-CD1 4Å; I167-L183 HydrophobicContact CB-CG 4.41Å; I167-L183 HydrophobicContact CD1-CD1 4.41Å; I167-L183 HydrophobicContact CG2-CD1 3.58Å; I167-L183 HydrophobicContact CG2-CG 4.1Å; V169-L183 HydrophobicContact CG1-CD1 4.47Å; V169-L183 HydrophobicContact CG1-CD2 3.86Å; V169-L183 HydrophobicContact CG1-CG 4.26Å; V169-L183 HydrophobicContact CG2-CD2 3.82Å; L183-W188 HydrophobicContact CD1-CE3 4.28Å; L183-W188 HydrophobicContact CD1-CH2 3.99Å; L183-W188 HydrophobicContact CD1-CZ3 3.58Å; L183-V228 WeakPolarHBondContact CA-O 3.26Å; L183-V228 HydrophobicContact CD2-CG2 3.83Å; L183-V230 HydrophobicContact CD1-CG2 4.5Å; L183-V230 HydrophobicContact CD2-CG2 3.53Å; L183-L239 HydrophobicContact CD1-CD1 4.1Å; L183-V255 WeakPolarHBondContact O-CA 3.11Å; L183-A256 HydrophobicContact CB-CB 3.73Å; L183-A256 PolarHBondContact O-N 3.14Å
184	C	91.3	Very high	81	Confident	7 Å²	7	48 Å²	48	5%	0.047	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-75.5	151.3	177.2	-51.7	0	0	0	0	109.9	Q186 C227 V228 M248	C184-Q186 PolarHBondContact O-N 3.07Å; C184-C227 VanDerWaalsContact CA-SG 3.58Å; C184-C227 HydrophobicContact CB-CB 4.06Å; C184-C227 WeakPolarHBondContact CB-SG 3.36Å; C184-C227 WeakPolarHBondContact SG-CB 3.49Å; C184-C227 CovalentContact SG-SG 2.04Å; C184-C227 PolarHBondContact SG-SG 3.07Å; C184-V228 PolarHBondContact N-O 3.05Å; C184-V228 VanDerWaalsContact SG-C 3.54Å; C184-V228 PolarHBondContact SG-N 3.21Å; C184-V228 VanDerWaalsContact SG-N 3.41Å; C184-M248 HydrophobicContact CB-CE 4.31Å
185	Q	89.9	Confident	83.2	Confident	90 Å²	90	44.4 Å²	44.4	42%	0.421	23%	0.234	S	C	.	.	S	Bend	trans	-65.3	-28.5	171.4	-177.4	-174.2	16.5	0	0	112.3	D187 W188 S211 M254	Q185-D187 PolarHBondContact O-N 2.8Å; Q185-W188 VanDerWaalsContact O-CB 3.24Å; Q185-W188 WeakPolarHBondContact O-CB 3.48Å; Q185-W188 PolarHBondContact O-N 3.18Å; Q185-S211 PolarHBondContact NE2-OG 2.93Å; Q185-S211 VanDerWaalsContact NE2-OG 3.12Å; Q185-M254 HydrophobicContact CB-CB 3.78Å; Q185-M254 WeakPolarHBondContact CB-O 3.26Å; Q185-M254 HydrophobicContact CG-CB 4.33Å; Q185-M254 PolarHBondContact N-O 3.23Å; Q185-M254 VanDerWaalsContact N-O 3.12Å
186	Q	85.6	Confident	85.3	Confident	102 Å²	102	38.5 Å²	38.5	48%	0.477	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	124.3	179.8	-174.3	176.5	-10.4	0	0	110.2	C184 W188	C184-Q186 PolarHBondContact O-N 3.07Å; Q186-W188 PolarHBondContact O-N 3.27Å
187	D	83.5	Confident	87.7	Confident	64 Å²	64	36.3 Å²	36.3	34%	0.342	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	13.1	-176.1	-51.6	-49.6	0	0	0	115.2	Q185 D189 Y245	Q185-D187 PolarHBondContact O-N 2.8Å; D187-D189 PolarHBondContact O-N 3.38Å; D187-Y245 WeakPolarHBondContact CB-OH 2.97Å; D187-Y245 PolarHBondContact OD2-OH 2.67Å
188	W	92.8	Very high	89.6	Confident	28 Å²	28	36.4 Å²	36.4	11%	0.106	17%	0.165	C	C	.	.			trans	-77.8	111.8	172.3	-174.5	-113.4	0	0	0	111	I167 L183 Q185 Q186 A192 A193 A196 D210 A256 A257 A258	I167-W188 HydrophobicContact CD1-CH2 3.42Å; I167-W188 VanDerWaalsContact CD1-CH2 3.42Å; I167-W188 HydrophobicContact CD1-CZ2 3.45Å; I167-W188 VanDerWaalsContact CD1-CZ2 3.45Å; L183-W188 HydrophobicContact CD1-CE3 4.28Å; L183-W188 HydrophobicContact CD1-CH2 3.99Å; L183-W188 HydrophobicContact CD1-CZ3 3.58Å; Q185-W188 VanDerWaalsContact O-CB 3.24Å; Q185-W188 WeakPolarHBondContact O-CB 3.48Å; Q185-W188 PolarHBondContact O-N 3.18Å; Q186-W188 PolarHBondContact O-N 3.27Å; W188-A192 HydrophobicContact CD2-CB 4.44Å; W188-A192 HydrophobicContact CE3-CB 3.64Å; W188-A192 HydrophobicContact CH2-CB 4.13Å; W188-A192 HydrophobicContact CZ3-CB 3.46Å; W188-A192 VanDerWaalsContact CZ3-CB 3.46Å; W188-A193 HydrophobicContact CH2-CB 4.45Å; W188-A193 HydrophobicContact CZ2-CB 3.78Å; W188-A196 HydrophobicContact CH2-CB 4.09Å; W188-D210 PolarHBondContact NE1-O 3.32Å; W188-A256 HydrophobicContact CB-CB 4.11Å; W188-A256 HydrophobicContact CD2-CB 3.45Å; W188-A256 VanDerWaalsContact CD2-CB 3.45Å; W188-A256 HydrophobicContact CE3-CB 3.97Å; W188-A256 HydrophobicContact CG-CB 3.48Å; W188-A256 VanDerWaalsContact CG-CB 3.48Å; W188-A256 HydrophobicContact CZ2-CB 4.33Å; W188-A257 PolarHBondContact NE1-O 3.12Å; W188-A258 HydrophobicContact CZ2-CB 4.23Å
189	D	94.2	Very high	91.2	Very high	30 Å²	30	27.6 Å²	27.6	16%	0.16	13%	0.134	C	C	.	.			trans	-127.4	179.9	-177.8	66.4	14.9	0	0	0	112.5	D187 A191 A192 A193 V287	D187-D189 PolarHBondContact O-N 3.38Å; D189-A191 VanDerWaalsContact C-N 3.28Å; D189-A191 PolarHBondContact O-N 3.29Å; D189-A191 WeakPolarHBondContact OD1-CB 3.01Å; D189-A191 PolarHBondContact OD1-N 2.96Å; D189-A191 VanDerWaalsContact OD1-N 3.11Å; D189-A192 PolarHBondContact O-N 3.41Å; D189-A192 PolarHBondContact OD1-N 3.49Å; D189-A193 PolarHBondContact O-N 2.02Å; D189-V287 HydrophobicContact CB-CG1 4.32Å
190	M	95.1	Very high	92.2	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-30.5	178.3	-83.3	-66.2	-58.1	0	0	113.2	A193 N194 A206 S208 A209 V287 D289	M190-A193 PolarHBondContact O-N 3.47Å; M190-N194 VanDerWaalsContact O-CB 3.26Å; M190-N194 WeakPolarHBondContact O-CB 3.48Å; M190-N194 PolarHBondContact O-N 3.09Å; M190-N194 PolarHBondContact O-ND2 3.27Å; M190-N194 VanDerWaalsContact O-ND2 3.16Å; M190-A206 HydrophobicContact CE-CB 4.3Å; M190-A206 WeakPolarHBondContact CE-O 3.05Å; M190-S208 VanDerWaalsContact SD-C 3.51Å; M190-S208 VanDerWaalsContact SD-CA 3.56Å; M190-A209 HydrophobicContact CG-CB 4.1Å; M190-A209 HydrophobicContact SD-CB 3.86Å; M190-A209 PolarHBondContact SD-N 2.94Å; M190-V287 HydrophobicContact CB-CG1 4.15Å; M190-D289 VanDerWaalsContact CB-OD1 3.27Å; M190-D289 WeakPolarHBondContact CB-OD1 3.4Å; M190-D289 WeakPolarHBondContact CG-OD1 3.32Å
191	A	95	Very high	92.5	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-45.4	175.8	0	0	0	0	0	110.8	D189 N194 V195 V287 D288	D189-A191 VanDerWaalsContact C-N 3.28Å; D189-A191 PolarHBondContact O-N 3.29Å; D189-A191 WeakPolarHBondContact OD1-CB 3.01Å; D189-A191 PolarHBondContact OD1-N 2.96Å; D189-A191 VanDerWaalsContact OD1-N 3.11Å; A191-N194 WeakPolarHBondContact O-CB 3.5Å; A191-N194 PolarHBondContact O-N 3.47Å; A191-V195 WeakPolarHBondContact O-CG2 3.49Å; A191-V195 PolarHBondContact O-N 3.05Å; A191-V287 HydrophobicContact CB-CG1 4.29Å; A191-D288 HydrophobicContact CB-CB 4.28Å
192	A	95.3	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-41.2	176.5	0	0	0	0	0	113	W188 D189 N194 V195 A196 C232	W188-A192 HydrophobicContact CD2-CB 4.44Å; W188-A192 HydrophobicContact CE3-CB 3.64Å; W188-A192 HydrophobicContact CH2-CB 4.13Å; W188-A192 HydrophobicContact CZ3-CB 3.46Å; W188-A192 VanDerWaalsContact CZ3-CB 3.46Å; D189-A192 PolarHBondContact O-N 3.41Å; D189-A192 PolarHBondContact OD1-N 3.49Å; A192-N194 VanDerWaalsContact C-N 3.32Å; A192-N194 PolarHBondContact O-N 3.4Å; A192-V195 PolarHBondContact O-N 3.06Å; A192-A196 PolarHBondContact O-N 3.29Å; A192-C232 VanDerWaalsContact CA-SG 3.54Å; A192-C232 HydrophobicContact CB-CB 4.08Å
193	A	96.1	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-39.4	175	0	0	0	0	0	112.1	W188 D189 M190 V195 A196 C197 A206 A209 A258	W188-A193 HydrophobicContact CH2-CB 4.45Å; W188-A193 HydrophobicContact CZ2-CB 3.78Å; D189-A193 PolarHBondContact O-N 2.02Å; M190-A193 PolarHBondContact O-N 3.47Å; A193-V195 VanDerWaalsContact C-N 3.34Å; A193-V195 PolarHBondContact O-N 3.29Å; A193-A196 PolarHBondContact O-N 2.57Å; A193-C197 WeakPolarHBondContact O-CB 2.9Å; A193-C197 PolarHBondContact O-N 3.24Å; A193-A206 HydrophobicContact CB-CB 3.58Å; A193-A209 HydrophobicContact CB-CB 3.77Å; A193-A258 HydrophobicContact CB-CB 4.08Å
194	N	95.9	Very high	92.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-45.2	175	-81.7	-30.2	0	0	0	112	M190 A191 A192 R198 A206 K276 D288 D289 G291	M190-N194 VanDerWaalsContact O-CB 3.26Å; M190-N194 WeakPolarHBondContact O-CB 3.48Å; M190-N194 PolarHBondContact O-N 3.09Å; M190-N194 PolarHBondContact O-ND2 3.27Å; M190-N194 VanDerWaalsContact O-ND2 3.16Å; A191-N194 WeakPolarHBondContact O-CB 3.5Å; A191-N194 PolarHBondContact O-N 3.47Å; A192-N194 VanDerWaalsContact C-N 3.32Å; A192-N194 PolarHBondContact O-N 3.4Å; N194-R198 VanDerWaalsContact O-CB 3.26Å; N194-R198 WeakPolarHBondContact O-CB 3.4Å; N194-R198 PolarHBondContact O-N 2.76Å; N194-A206 PolarHBondContact OD1-N 2.86Å; N194-K276 PolarHBondContact OD1-NZ 3.38Å; N194-D288 PolarHBondContact ND2-O 2.74Å; N194-D289 PolarHBondContact ND2-O 2.59Å; N194-G291 PolarHBondContact ND2-N 2.7Å
195	V	95.4	Very high	92.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-44.8	177.9	178	0	0	0	0	111.3	A191 A192 A193 C197 R198 E199 C232 E236 S238 L239	A191-V195 WeakPolarHBondContact O-CG2 3.49Å; A191-V195 PolarHBondContact O-N 3.05Å; A192-V195 PolarHBondContact O-N 3.06Å; A193-V195 VanDerWaalsContact C-N 3.34Å; A193-V195 PolarHBondContact O-N 3.29Å; V195-C197 PolarHBondContact O-N 3.03Å; V195-R198 PolarHBondContact O-N 3.24Å; V195-E199 PolarHBondContact O-N 2.85Å; V195-C232 HydrophobicContact CG2-CB 4.09Å; V195-E236 HydrophobicContact CG1-CB 4.1Å; V195-E236 HydrophobicContact CG2-CB 3.96Å; V195-S238 VanDerWaalsContact CG1-C 3.41Å; V195-L239 HydrophobicContact CB-CD2 4.16Å; V195-L239 HydrophobicContact CG1-CD2 4.01Å; V195-L239 HydrophobicContact CG1-CG 4.34Å
196	A	95.4	Very high	93.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-48.8	178.8	0	0	0	0	0	112	I167 W188 A192 A193 R198 E199 H200 L239	I167-A196 HydrophobicContact CD1-CB 3.64Å; W188-A196 HydrophobicContact CH2-CB 4.09Å; A192-A196 PolarHBondContact O-N 3.29Å; A193-A196 PolarHBondContact O-N 2.57Å; A196-R198 PolarHBondContact O-N 3.02Å; A196-E199 PolarHBondContact O-N 3.44Å; A196-H200 PolarHBondContact O-CD2 3.02Å; A196-H200 PolarHBondContact O-N 2.82Å; A196-L239 HydrophobicContact CB-CD1 3.9Å; A196-L239 HydrophobicContact CB-CD2 4.23Å; A196-L239 HydrophobicContact CB-CG 4.23Å
197	C	94.9	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-39.9	177.3	-79.3	0	0	0	0	112.5	A193 V195 E199 H200 K201 H202 G205 A206 C260	A193-C197 WeakPolarHBondContact O-CB 2.9Å; A193-C197 PolarHBondContact O-N 3.24Å; V195-C197 PolarHBondContact O-N 3.03Å; C197-E199 PolarHBondContact O-N 3.43Å; C197-H200 CarbonylContact O-C 3.54Å; C197-H200 WeakPolarHBondContact O-CA 3.11Å; C197-H200 PolarHBondContact O-N 2.95Å; C197-H200 VanDerWaalsContact O-N 3.1Å; C197-K201 PolarHBondContact O-N 3.47Å; C197-H202 HydrophobicContact CB-CB 4.09Å; C197-H202 WeakPolarHBondContact O-CB 3.47Å; C197-H202 PolarHBondContact O-N 2.01Å; C197-G205 VanDerWaalsContact CB-C 3.46Å; C197-G205 WeakPolarHBondContact CB-O 3.05Å; C197-A206 HydrophobicContact CB-CB 4.42Å; C197-C260 VanDerWaalsContact CA-SG 3.5Å; C197-C260 HydrophobicContact CB-CB 3.8Å; C197-C260 WeakPolarHBondContact CB-SG 3.11Å; C197-C260 WeakPolarHBondContact SG-CA 3.49Å; C197-C260 WeakPolarHBondContact SG-CB 3.42Å; C197-C260 CovalentContact SG-SG 2.05Å; C197-C260 PolarHBondContact SG-SG 3.3Å
198	R	93.4	Very high	93.8	Very high	37 Å²	37	33.6 Å²	33.6	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-44.1	177.6	-171.8	-178.7	-58.2	156.1	5.9	112.5	N194 V195 A196 H200 K201 H202 G234 Y235 E236 G291	N194-R198 VanDerWaalsContact O-CB 3.26Å; N194-R198 WeakPolarHBondContact O-CB 3.4Å; N194-R198 PolarHBondContact O-N 2.76Å; V195-R198 PolarHBondContact O-N 3.24Å; A196-R198 PolarHBondContact O-N 3.02Å; R198-H200 PolarHBondContact O-N 3.41Å; R198-K201 PolarHBondContact O-N 3.23Å; R198-H202 VanDerWaalsContact CA-O 3.24Å; R198-H202 WeakPolarHBondContact CA-O 3.24Å; R198-H202 PolarHBondContact N-O 2.75Å; R198-G234 PolarHBondContact NH1-O 2.84Å; R198-G234 PolarHBondContact NH2-O 2.99Å; R198-Y235 PolarHBondContact NH1-O 2.94Å; R198-Y235 VanDerWaalsContact NH1-O 3.13Å; R198-E236 PolarHBondContact NH1-O 3.13Å; R198-G291 PolarHBondContact NH2-O 3.11Å
199	E	93.1	Very high	93.8	Very high	43 Å²	43	33.9 Å²	33.9	20%	0.201	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-34	174.9	-173.3	166.6	-154.8	0	0	111.6	S158 V195 A196 C197 K201 S238 L239	S158-E199 PolarHBondContact OG-OE1 2.93Å; S158-E199 PolarHBondContact OG-OE2 3.08Å; V195-E199 PolarHBondContact O-N 2.85Å; A196-E199 PolarHBondContact O-N 3.44Å; C197-E199 PolarHBondContact O-N 3.43Å; E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.34Å; E199-S238 VanDerWaalsContact CD-OG 3.23Å; E199-S238 VanDerWaalsContact OE1-CB 3.25Å; E199-S238 WeakPolarHBondContact OE1-CB 3.39Å; E199-S238 PolarHBondContact OE1-OG 2.91Å; E199-S238 PolarHBondContact OE2-OG 3.3Å; E199-L239 PolarHBondContact OE2-N 2.8Å; E199-L239 VanDerWaalsContact OE2-N 3.08Å
200	H	93.4	Very high	93.8	Very high	52 Å²	52	35.1 Å²	35.1	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	28.9	178.2	-69.9	-63.5	0	0	0	115.3	S158 L160 A196 C197 R198 H202	S158-H200 PolarHBondContact O-CE1 3.12Å; S158-H200 VanDerWaalsContact O-CE1 3.23Å; S158-H200 PolarHBondContact OG-NE2 2.85Å; L160-H200 HydrophobicContact CB-CB 4.37Å; L160-H200 WeakPolarHBondContact CB-CD2 3.27Å; L160-H200 HydrophobicContact CD2-CB 4.14Å; L160-H200 PolarHBondContact N-NE2 3.27Å; A196-H200 PolarHBondContact O-CD2 3.02Å; A196-H200 PolarHBondContact O-N 2.82Å; C197-H200 CarbonylContact O-C 3.54Å; C197-H200 WeakPolarHBondContact O-CA 3.11Å; C197-H200 PolarHBondContact O-N 2.95Å; C197-H200 VanDerWaalsContact O-N 3.1Å; R198-H200 PolarHBondContact O-N 3.41Å; H200-H202 PolarHBondContact O-CD2 2.88Å
201	K	92	Very high	93.6	Very high	192 Å²	192	36.4 Å²	36.4	84%	0.835	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	23.2	174.4	-49.1	176	179.6	175.8	0	115.3	C197 R198 E199 P203	C197-K201 PolarHBondContact O-N 3.47Å; R198-K201 PolarHBondContact O-N 3.23Å; E199-K201 VanDerWaalsContact C-N 3.34Å; E199-K201 PolarHBondContact O-N 3.34Å; K201-P203 VanDerWaalsContact O-CD 3.31Å; K201-P203 WeakPolarHBondContact O-CD 3.38Å
202	H	92.4	Very high	93.3	Very high	57 Å²	57	37.9 Å²	37.9	26%	0.264	21%	0.209	S	C	.	.			trans	-106.3	88.7	168.6	-65.5	-91.5	0	0	0	110.1	C197 R198 H200 L204 G205 C260 Y261	C197-H202 HydrophobicContact CB-CB 4.09Å; C197-H202 WeakPolarHBondContact O-CB 3.47Å; C197-H202 PolarHBondContact O-N 2.01Å; R198-H202 VanDerWaalsContact CA-O 3.24Å; R198-H202 WeakPolarHBondContact CA-O 3.24Å; R198-H202 PolarHBondContact N-O 2.75Å; H200-H202 PolarHBondContact O-CD2 2.88Å; H202-L204 PolarHBondContact O-N 3.41Å; H202-L204 VanDerWaalsContact O-N 3.16Å; H202-G205 PolarHBondContact O-N 3.39Å; H202-C260 HydrophobicContact CB-CB 3.98Å; H202-C260 VanDerWaalsContact CG-CB 3.49Å; H202-Y261 PolarHBondContact ND1-O 3.05Å
203	P	90.6	Very high	93	Very high	101 Å²	101	41.2 Å²	41.2	66%	0.656	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.2	-169.7	24.9	-34.8	0	0	0	114.5	K201 G205	K201-P203 VanDerWaalsContact O-CD 3.31Å; K201-P203 WeakPolarHBondContact O-CD 3.38Å; P203-G205 VanDerWaalsContact C-N 3.27Å; P203-G205 PolarHBondContact O-N 2.95Å
204	L	91.9	Very high	92.5	Very high	60 Å²	60	42 Å²	42	31%	0.314	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.5	176.3	-61.9	178	0	0	0	113.6	H202 Y261 N274 K276	H202-L204 PolarHBondContact O-N 3.41Å; H202-L204 VanDerWaalsContact O-N 3.16Å; L204-Y261 HydrophobicContact CB-CD1 4.13Å; L204-Y261 HydrophobicContact CB-CG 4.49Å; L204-Y261 HydrophobicContact CD1-CD1 3.81Å; L204-Y261 HydrophobicContact CD1-CE1 4.02Å; L204-N274 HydrophobicContact CD2-CB 4.3Å; L204-N274 WeakPolarHBondContact CD2-O 3.36Å; L204-K276 WeakPolarHBondContact O-CD 3.44Å
205	G	93.8	Very high	91.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.			trans	79.9	-148	178.5	0	0	0	0	0	114.1	C197 H202 P203 Y261	C197-G205 VanDerWaalsContact CB-C 3.46Å; C197-G205 WeakPolarHBondContact CB-O 3.05Å; H202-G205 PolarHBondContact O-N 3.39Å; P203-G205 VanDerWaalsContact C-N 3.27Å; P203-G205 PolarHBondContact O-N 2.95Å; G205-Y261 WeakPolarHBondContact O-CB 3.45Å; G205-Y261 PolarHBondContact O-N 2.91Å
206	A	94.6	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	148	-174.4	0	0	0	0	0	112.1	M190 A193 N194 C197 T259 K276	M190-A206 HydrophobicContact CE-CB 4.3Å; M190-A206 WeakPolarHBondContact CE-O 3.05Å; A193-A206 HydrophobicContact CB-CB 3.58Å; N194-A206 PolarHBondContact OD1-N 2.86Å; C197-A206 HydrophobicContact CB-CB 4.42Å; A206-T259 CarbonylContact C-O 3.54Å; A206-T259 WeakPolarHBondContact CA-O 3.33Å; A206-K276 WeakPolarHBondContact O-CE 3.06Å; A206-K276 PolarHBondContact O-NZ 2.03Å
207	A	92.5	Very high	90.4	Very high	50 Å²	50	50.6 Å²	50.6	41%	0.413	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-34.1	165.2	0	0	0	0	0	111.5	T259 Y261	A207-T259 PolarHBondContact N-O 3.41Å; A207-Y261 HydrophobicContact CB-CD2 3.98Å
208	S	92.3	Very high	88.8	Confident	36 Å²	36	53.7 Å²	53.7	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.9	176	56.9	0	0	0	0	111.8	M190 D210 T259	M190-S208 VanDerWaalsContact SD-C 3.51Å; M190-S208 VanDerWaalsContact SD-CA 3.56Å; S208-D210 WeakPolarHBondContact CB-OD1 3.44Å; S208-D210 VanDerWaalsContact OG-CG 3.24Å; S208-D210 PolarHBondContact OG-OD1 2.87Å; S208-D210 PolarHBondContact OG-OD2 2.86Å; S208-T259 PolarHBondContact N-O 3.31Å; S208-T259 PolarHBondContact O-N 3.2Å; S208-T259 WeakPolarHBondContact OG-CB 3.39Å
209	A	93.4	Very high	87.3	Confident	33 Å²	33	57.5 Å²	57.5	27%	0.273	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.8	167	0	0	0	0	0	107.4	M190 A193	M190-A209 HydrophobicContact CG-CB 4.1Å; M190-A209 HydrophobicContact SD-CB 3.86Å; M190-A209 PolarHBondContact SD-N 2.94Å; A193-A209 HydrophobicContact CB-CB 3.77Å
210	D	92.9	Very high	85.6	Confident	57 Å²	57	61.3 Å²	61.3	31%	0.305	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	168.5	-172.5	-56	-50	0	0	0	110.7	W188 S208 A257 T259	W188-D210 PolarHBondContact NE1-O 3.32Å; S208-D210 WeakPolarHBondContact CB-OD1 3.44Å; S208-D210 VanDerWaalsContact OG-CG 3.24Å; S208-D210 PolarHBondContact OG-OD1 2.87Å; S208-D210 PolarHBondContact OG-OD2 2.86Å; D210-A257 CarbonylContact C-O 3.58Å; D210-A257 HydrophobicContact CB-CB 4.11Å; D210-A257 PolarHBondContact N-O 3.05Å; D210-A257 CarbonylContact O-C 3.53Å; D210-A257 PolarHBondContact O-N 2.58Å; D210-T259 PolarHBondContact OD2-N 2.9Å; D210-T259 PolarHBondContact OD2-OG1 3.42Å
211	S	91.3	Very high	84	Confident	43 Å²	43	65.8 Å²	65.8	30%	0.301	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.6	170.3	63.4	0	0	0	0	111	Q185 M254 V255	Q185-S211 PolarHBondContact NE2-OG 2.93Å; Q185-S211 VanDerWaalsContact NE2-OG 3.12Å; S211-M254 VanDerWaalsContact OG-CE 3.27Å; S211-M254 WeakPolarHBondContact OG-CE 3.4Å; S211-V255 CarbonylContact C-O 3.6Å; S211-V255 VanDerWaalsContact CA-O 3.32Å; S211-V255 WeakPolarHBondContact CA-O 3.48Å
212	V	89.3	Confident	83	Confident	34 Å²	34	63.6 Å²	63.6	21%	0.206	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.8	-177.8	-174.8	0	0	0	0	108.8	Y214 L217 M254 V255 A257	V212-Y214 PolarHBondContact O-N 2.91Å; V212-L217 HydrophobicContact CB-CD1 4.24Å; V212-L217 HydrophobicContact CG1-CD1 3.72Å; V212-L217 HydrophobicContact CG1-CD2 3.98Å; V212-L217 HydrophobicContact CG1-CG 3.81Å; V212-M254 WeakPolarHBondContact O-CA 3.46Å; V212-V255 HydrophobicContact CB-CG2 4.46Å; V212-V255 PolarHBondContact N-O 2.99Å; V212-V255 VanDerWaalsContact O-CG2 3.29Å; V212-V255 WeakPolarHBondContact O-CG2 3.37Å; V212-V255 PolarHBondContact O-N 2.58Å; V212-A257 HydrophobicContact CG2-CB 3.79Å
213	D	88.5	Confident	82.4	Confident	70 Å²	70	62.6 Å²	62.6	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.9	174	-176.3	-17.8	0	0	0	109.2	N215 S216 M254	D213-N215 PolarHBondContact O-N 3.21Å; D213-N215 WeakPolarHBondContact OD1-CB 3.47Å; D213-N215 PolarHBondContact OD1-N 2.92Å; D213-S216 WeakPolarHBondContact O-CB 3.33Å; D213-S216 PolarHBondContact O-N 3.38Å; D213-S216 PolarHBondContact O-OG 3.45Å; D213-M254 VanDerWaalsContact CA-SD 3.52Å; D213-M254 HydrophobicContact CB-SD 3.81Å
214	Y	85.4	Confident	82	Confident	18 Å²	18	58.7 Å²	58.7	7%	0.071	35%	0.352	C	S	.	.	H	α-helix	trans	-54.5	-40	179.4	-179.2	-98.4	0	0	0	111.8	L182 V212 S216 L217 T218 L223 P224 A250 G253 V255	L182-Y214 HydrophobicContact CD1-CD2 3.63Å; L182-Y214 HydrophobicContact CD1-CE2 3.52Å; V212-Y214 PolarHBondContact O-N 2.91Å; Y214-S216 PolarHBondContact O-N 2.91Å; Y214-L217 WeakPolarHBondContact O-CB 3.4Å; Y214-L217 PolarHBondContact O-N 3.11Å; Y214-T218 HydrophobicContact CD1-CG2 3.89Å; Y214-T218 HydrophobicContact CE1-CG2 3.55Å; Y214-T218 WeakPolarHBondContact O-CG2 3.39Å; Y214-T218 PolarHBondContact O-N 2.71Å; Y214-L223 HydrophobicContact CE2-CB 4.42Å; Y214-P224 WeakPolarHBondContact CE2-O 3.27Å; Y214-P224 PolarHBondContact OH-O 3.05Å; Y214-A250 WeakPolarHBondContact CB-O 3.27Å; Y214-A250 HydrophobicContact CD2-CB 3.8Å; Y214-A250 HydrophobicContact CE2-CB 3.86Å; Y214-A250 HydrophobicContact CG-CB 4.2Å; Y214-G253 WeakPolarHBondContact CB-O 3.09Å; Y214-G253 PolarHBondContact N-O 2.79Å; Y214-G253 VanDerWaalsContact N-O 3.12Å; Y214-V255 HydrophobicContact CD2-CG1 4.08Å
215	N	83.4	Confident	81.7	Confident	75 Å²	75	59.7 Å²	59.7	40%	0.401	36%	0.364	S	S	.	.	H	α-helix	trans	-67.6	-22.2	-177.6	-66.5	-35.9	0	0	0	113.4	D213 L217 T218	D213-N215 PolarHBondContact O-N 3.21Å; D213-N215 WeakPolarHBondContact OD1-CB 3.47Å; D213-N215 PolarHBondContact OD1-N 2.92Å; N215-L217 VanDerWaalsContact C-N 3.27Å; N215-T218 PolarHBondContact O-OG1 3.22Å
216	S	82.5	Confident	81.4	Confident	74 Å²	74	64.1 Å²	64.1	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-74.8	-20.2	174.3	74.3	0	0	0	0	112.8	D213 Y214	D213-S216 WeakPolarHBondContact O-CB 3.33Å; D213-S216 PolarHBondContact O-N 3.38Å; D213-S216 PolarHBondContact O-OG 3.45Å; Y214-S216 PolarHBondContact O-N 2.91Å
217	L	76.4	Confident	81.1	Confident	31 Å²	31	64.4 Å²	64.4	16%	0.162	38%	0.383	C	S	.	.	H	α-helix	trans	-95.1	-13.4	-176.6	-61.9	168.5	0	0	0	113.4	T164 L166 V212 Y214 N215 P219 L223 V255	T164-L217 HydrophobicContact CG2-CD2 4.48Å; L166-L217 HydrophobicContact CD1-CD1 4.11Å; L166-L217 HydrophobicContact CD2-CD1 4.1Å; V212-L217 HydrophobicContact CB-CD1 4.24Å; V212-L217 HydrophobicContact CG1-CD1 3.72Å; V212-L217 HydrophobicContact CG1-CD2 3.98Å; V212-L217 HydrophobicContact CG1-CG 3.81Å; Y214-L217 WeakPolarHBondContact O-CB 3.4Å; Y214-L217 PolarHBondContact O-N 3.11Å; N215-L217 VanDerWaalsContact C-N 3.27Å; L217-P219 VanDerWaalsContact O-CD 3.26Å; L217-P219 WeakPolarHBondContact O-CD 3.45Å; L217-L223 HydrophobicContact CB-CD1 3.63Å; L217-L223 VanDerWaalsContact O-CD1 3.26Å; L217-L223 WeakPolarHBondContact O-CD1 3.41Å; L217-V255 HydrophobicContact CD1-CG2 3.98Å
218	T	60.8	Low	80.9	Confident	65 Å²	65	62.1 Å²	62.1	40%	0.399	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	3.2	-174.2	57.2	0	0	0	0	118.5	Y214 N215 N220	Y214-T218 HydrophobicContact CD1-CG2 3.89Å; Y214-T218 HydrophobicContact CE1-CG2 3.55Å; Y214-T218 WeakPolarHBondContact O-CG2 3.39Å; Y214-T218 PolarHBondContact O-N 2.71Å; N215-T218 PolarHBondContact O-OG1 3.22Å; T218-N220 PolarHBondContact O-N 3.07Å; T218-N220 VanDerWaalsContact O-N 3.08Å
219	P	62.5	Low	80.8	Confident	117 Å²	117	60.4 Å²	60.4	76%	0.76	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.5	165.5	-22.3	32.9	0	0	0	113	L217	L217-P219 VanDerWaalsContact O-CD 3.26Å; L217-P219 WeakPolarHBondContact O-CD 3.45Å
220	N	57.1	Low	80.6	Confident	122 Å²	122	59 Å²	59	65%	0.652	34%	0.339	S	S	*	.	S	Bend	trans	-98.4	118.7	175.9	-87.8	-29.4	0	0	0	111.9	T218 D222	T218-N220 PolarHBondContact O-N 3.07Å; T218-N220 VanDerWaalsContact O-N 3.08Å; N220-D222 PolarHBondContact O-N 3.02Å
221	T	59.5	Low	80.4	Confident	146 Å²	146	57.4 Å²	57.4	90%	0.896	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	4	-179.3	44	0	0	0	0	116
222	D	71.8	Confident	80.4	Confident	146 Å²	146	55.5 Å²	55.5	78%	0.781	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	4.4	-171.3	-85.9	-11.6	0	0	0	115	N220	N220-D222 PolarHBondContact O-N 3.02Å
223	L	79.3	Confident	80.3	Confident	36 Å²	36	57 Å²	57	19%	0.188	32%	0.321	C	S	.	.	S	Bend	trans	-83.8	139.5	179.9	-80.7	156.9	0	0	0	112.5	L166 L182 Y214 L217	L166-L223 HydrophobicContact CD2-CD2 3.65Å; L182-L223 HydrophobicContact CD2-CD2 4.35Å; Y214-L223 HydrophobicContact CE2-CB 4.42Å; L217-L223 HydrophobicContact CB-CD1 3.63Å; L217-L223 VanDerWaalsContact O-CD1 3.26Å; L217-L223 WeakPolarHBondContact O-CD1 3.41Å
224	P	83.2	Confident	80.3	Confident	20 Å²	20	53.6 Å²	53.6	13%	0.13	30%	0.303	C	S	.	.			trans	-64.7	135.1	175.3	-20.3	31.8	0	0	0	112.9	N180 L182 Y214 R226	N180-P224 HydrophobicContact CB-CG 3.88Å; N180-P224 WeakPolarHBondContact O-CB 3.13Å; N180-P224 WeakPolarHBondContact O-CG 3.38Å; L182-P224 HydrophobicContact CD2-CG 4.41Å; L182-P224 HydrophobicContact CG-CB 4.32Å; L182-P224 HydrophobicContact CG-CG 4.35Å; Y214-P224 WeakPolarHBondContact CE2-O 3.27Å; Y214-P224 PolarHBondContact OH-O 3.05Å; P224-R226 PolarHBondContact O-N 3.35Å
225	S	85.4	Confident	80.3	Confident	80 Å²	80	55.2 Å²	55.2	56%	0.559	31%	0.31	S	S	*	.	S	Bend	trans	-79.4	3.5	178.4	58.8	0	0	0	0	114.7	A250	S225-A250 PolarHBondContact O-N 3.15Å
226	R	87.4	Confident	80.7	Confident	94 Å²	94	52.2 Å²	52.2	36%	0.355	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	-176.3	-62.9	-169.2	73.8	161.7	2	111.4	E179 L181 L182 P224 K247 M248	E179-R226 WeakPolarHBondContact OE1-CD 3.42Å; L181-R226 HydrophobicContact CD2-CB 3.68Å; L182-R226 PolarHBondContact N-O 3.27Å; P224-R226 PolarHBondContact O-N 3.35Å; R226-K247 PolarHBondContact NH2-O 3.29Å; R226-M248 VanDerWaalsContact CA-O 3.26Å; R226-M248 WeakPolarHBondContact CA-O 3.29Å; R226-M248 WeakPolarHBondContact CB-O 3.47Å
227	C	88.6	Confident	81	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.3	175.2	72.1	0	0	0	0	111.7	L182 C184 K247 M248 A250	L182-C227 HydrophobicContact CB-CB 3.96Å; L182-C227 CarbonylContact O-C 3.55Å; L182-C227 WeakPolarHBondContact O-CA 3.42Å; L182-C227 WeakPolarHBondContact O-CB 3.24Å; C184-C227 VanDerWaalsContact CA-SG 3.58Å; C184-C227 HydrophobicContact CB-CB 4.06Å; C184-C227 WeakPolarHBondContact CB-SG 3.36Å; C184-C227 WeakPolarHBondContact SG-CB 3.49Å; C184-C227 CovalentContact SG-SG 2.04Å; C184-C227 PolarHBondContact SG-SG 3.07Å; C227-K247 CarbonylContact O-C 3.45Å; C227-K247 WeakPolarHBondContact O-CA 3.44Å; C227-M248 PolarHBondContact N-O 3.32Å; C227-M248 PolarHBondContact O-N 2.71Å; C227-A250 HydrophobicContact CB-CB 4.28Å
228	V	88.7	Confident	81.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.3	172.1	-71.1	0	0	0	0	110.1	V169 L171 L181 L182 L183 C184 I244 K247	V169-V228 HydrophobicContact CG2-CG2 4.01Å; L171-V228 HydrophobicContact CD1-CG1 4.38Å; L171-V228 HydrophobicContact CD1-CG2 4.46Å; L181-V228 HydrophobicContact CB-CG2 4.45Å; L181-V228 HydrophobicContact CD1-CG1 3.82Å; L182-V228 PolarHBondContact O-N 3.49Å; L183-V228 WeakPolarHBondContact CA-O 3.26Å; L183-V228 HydrophobicContact CD2-CG2 3.83Å; C184-V228 PolarHBondContact N-O 3.05Å; C184-V228 VanDerWaalsContact SG-C 3.54Å; C184-V228 PolarHBondContact SG-N 3.21Å; C184-V228 VanDerWaalsContact SG-N 3.41Å; V228-I244 HydrophobicContact CB-CG2 3.86Å; V228-I244 HydrophobicContact CG1-CG2 4.43Å; V228-I244 HydrophobicContact CG2-CG2 3.75Å; V228-K247 HydrophobicContact CG1-CB 4.07Å; V228-K247 HydrophobicContact CG1-CG 4.05Å
229	S	88.8	Confident	83.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.8	172.9	-59.9	0	0	0	0	110.1	I244 Y245	S229-I244 WeakPolarHBondContact O-CA 3.22Å; S229-Y245 PolarHBondContact N-O 3.44Å; S229-Y245 PolarHBondContact O-N 3.25Å
230	V	89.1	Confident	84.5	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.5	-179.4	177.6	0	0	0	0	110	L183 L239 C242 E243 I244	L183-V230 HydrophobicContact CD1-CG2 4.5Å; L183-V230 HydrophobicContact CD2-CG2 3.53Å; V230-L239 HydrophobicContact CG1-CD2 4.27Å; V230-C242 HydrophobicContact CG1-CB 3.52Å; V230-E243 CarbonylContact C-O 3.54Å; V230-E243 VanDerWaalsContact CA-O 3.27Å; V230-E243 WeakPolarHBondContact CA-O 3.33Å; V230-I244 HydrophobicContact CG2-CB 4.47Å; V230-I244 HydrophobicContact CG2-CG1 4.07Å; V230-I244 HydrophobicContact CG2-CG2 4.15Å
231	H	89.7	Confident	86	Confident	25 Å²	25	35.8 Å²	35.8	12%	0.116	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.5	173.9	-176.9	61.5	0	0	0	110.4	E243 Y245	H231-E243 HydrophobicContact CB-CB 4.47Å; H231-E243 PolarHBondContact N-O 3.18Å; H231-E243 PolarHBondContact O-N 3.14Å; H231-Y245 HydrophobicContact CB-CE1 4.01Å
232	C	90.1	Very high	87.3	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.02	15%	0.149	C	C	.	.			trans	-116.7	159.6	179.6	-60.7	0	0	0	0	110.5	A192 V195 C242	A192-C232 VanDerWaalsContact CA-SG 3.54Å; A192-C232 HydrophobicContact CB-CB 4.08Å; V195-C232 HydrophobicContact CG2-CB 4.09Å; C232-C242 HydrophobicContact CB-CB 3.98Å; C232-C242 WeakPolarHBondContact CB-SG 3.19Å; C232-C242 WeakPolarHBondContact SG-CB 3.41Å; C232-C242 CovalentContact SG-SG 2.01Å; C232-C242 PolarHBondContact SG-SG 3.13Å
233	Q	88	Confident	88	Confident	64 Å²	64	23.8 Å²	23.8	30%	0.299	12%	0.12	S	C	.	.			trans	-91.6	-11.9	168.7	-62.4	-169.8	-32	0	0	113	Y235 E236 D288	Q233-Y235 HydrophobicContact CB-CD1 3.79Å; Q233-Y235 HydrophobicContact CB-CE1 3.38Å; Q233-Y235 HydrophobicContact CG-CE1 4.21Å; Q233-Y235 PolarHBondContact OE1-OH 2.91Å; Q233-E236 PolarHBondContact N-OE1 2.93Å; Q233-E236 PolarHBondContact N-OE2 2.6Å; Q233-E236 VanDerWaalsContact N-OE2 3.16Å; Q233-D288 WeakPolarHBondContact O-CB 3.4Å
234	G	88	Confident	88.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	103.2	-25.2	172.9	0	0	0	0	0	115	R198 E236 D288	R198-G234 PolarHBondContact NH1-O 2.84Å; R198-G234 PolarHBondContact NH2-O 2.99Å; G234-E236 PolarHBondContact N-OE2 3.17Å; G234-D288 WeakPolarHBondContact CA-OD2 3.19Å
235	Y	86.2	Confident	88.3	Confident	52 Å²	52	23.2 Å²	23.2	20%	0.204	12%	0.115	C	C	.	.			trans	-91.5	-4.5	-177.5	66.7	-98.5	0	0	0	114	R81 W92 R198 Q233	R81-Y235 HydrophobicContact CG-CD1 4.02Å; R81-Y235 HydrophobicContact CG-CE1 4.44Å; R81-Y235 HydrophobicContact CG-CG 4.33Å; W92-Y235 HydrophobicContact CZ2-CE2 4.49Å; R198-Y235 PolarHBondContact NH1-O 2.94Å; R198-Y235 VanDerWaalsContact NH1-O 3.13Å; Q233-Y235 HydrophobicContact CB-CD1 3.79Å; Q233-Y235 HydrophobicContact CB-CE1 3.38Å; Q233-Y235 HydrophobicContact CG-CE1 4.21Å; Q233-Y235 PolarHBondContact OE1-OH 2.91Å
236	E	90.9	Very high	88	Confident	11 Å²	11	21 Å²	21	5%	0.051	10%	0.097	C	C	.	.			trans	-66.3	162.4	-179.1	-59.5	100.6	147.1	0	0	112.9	V195 R198 Q233 G234 E241	V195-E236 HydrophobicContact CG1-CB 4.1Å; V195-E236 HydrophobicContact CG2-CB 3.96Å; R198-E236 PolarHBondContact NH1-O 3.13Å; Q233-E236 PolarHBondContact N-OE1 2.93Å; Q233-E236 PolarHBondContact N-OE2 2.6Å; Q233-E236 VanDerWaalsContact N-OE2 3.16Å; G234-E236 PolarHBondContact N-OE2 3.17Å; E236-E241 HydrophobicContact CB-CB 3.92Å; E236-E241 HydrophobicContact CG-CB 4.13Å; E236-E241 WeakPolarHBondContact CG-O 3.25Å
237	M	89.4	Confident	87.9	Confident	53 Å²	53	18.5 Å²	18.5	26%	0.261	9%	0.088	S	C	.	.	S	Bend	trans	-99.1	-16.5	-177.8	-66.7	-62.8	-57	0	0	113.5	P140 E241	P140-M237 HydrophobicContact CB-CB 4.49Å; M237-E241 PolarHBondContact N-OE2 2.78Å
238	S	92.3	Very high	87.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-152.8	150.2	-179.4	167	0	0	0	0	109.5	V195 E199 A240 E241	V195-S238 VanDerWaalsContact CG1-C 3.41Å; E199-S238 VanDerWaalsContact CD-OG 3.23Å; E199-S238 VanDerWaalsContact OE1-CB 3.25Å; E199-S238 WeakPolarHBondContact OE1-CB 3.39Å; E199-S238 PolarHBondContact OE1-OG 2.91Å; E199-S238 PolarHBondContact OE2-OG 3.3Å; S238-A240 PolarHBondContact O-N 3.16Å; S238-A240 PolarHBondContact OG-N 2.87Å; S238-A240 VanDerWaalsContact OG-N 3.17Å; S238-E241 WeakPolarHBondContact O-CA 3.05Å; S238-E241 VanDerWaalsContact O-CB 3.26Å; S238-E241 WeakPolarHBondContact O-CB 3.26Å; S238-E241 PolarHBondContact O-N 2.87Å
239	L	91.5	Very high	87.5	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-64.1	-19.2	174.2	-70.5	176.5	0	0	0	112.8	Y156 I167 V169 L183 V195 A196 E199 V230 E241 C242	Y156-L239 WeakPolarHBondContact OH-CB 3.36Å; I167-L239 HydrophobicContact CG2-CD1 4.13Å; V169-L239 HydrophobicContact CG1-CD1 4.31Å; L183-L239 HydrophobicContact CD1-CD1 4.1Å; V195-L239 HydrophobicContact CB-CD2 4.16Å; V195-L239 HydrophobicContact CG1-CD2 4.01Å; V195-L239 HydrophobicContact CG1-CG 4.34Å; A196-L239 HydrophobicContact CB-CD1 3.9Å; A196-L239 HydrophobicContact CB-CD2 4.23Å; A196-L239 HydrophobicContact CB-CG 4.23Å; E199-L239 PolarHBondContact OE2-N 2.8Å; E199-L239 VanDerWaalsContact OE2-N 3.08Å; V230-L239 HydrophobicContact CG1-CD2 4.27Å; L239-E241 PolarHBondContact O-N 3.21Å; L239-C242 WeakPolarHBondContact O-CB 3.36Å; L239-C242 PolarHBondContact O-N 3.1Å
240	A	88.9	Confident	87.1	Confident	10 Å²	10	24.8 Å²	24.8	8%	0.083	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-63.2	-23.7	168.2	0	0	0	0	0	112.8	V142 Y156 S238 C242 R361	V142-A240 VanDerWaalsContact O-CB 3.29Å; V142-A240 WeakPolarHBondContact O-CB 3.42Å; Y156-A240 HydrophobicContact CD1-CB 3.62Å; Y156-A240 HydrophobicContact CD2-CB 4.01Å; Y156-A240 HydrophobicContact CE1-CB 3.94Å; Y156-A240 HydrophobicContact CE2-CB 4.3Å; Y156-A240 HydrophobicContact CG-CB 3.66Å; S238-A240 PolarHBondContact O-N 3.16Å; S238-A240 PolarHBondContact OG-N 2.87Å; S238-A240 VanDerWaalsContact OG-N 3.17Å; A240-C242 VanDerWaalsContact C-N 3.31Å; A240-R361 PolarHBondContact O-NH1 3.27Å; A240-R361 VanDerWaalsContact O-NH1 3.11Å
241	E	88.6	Confident	86.2	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-90.8	12.2	172.6	-54.6	173.3	177.1	0	0	111.6	M131 S134 V142 E236 M237 S238 L239 R361	M131-E241 HydrophobicContact CE-CB 4.46Å; M131-E241 HydrophobicContact CE-CG 4.13Å; M131-E241 WeakPolarHBondContact CE-OE2 3.41Å; M131-E241 HydrophobicContact SD-CG 3.98Å; S134-E241 PolarHBondContact OG-OE1 2.94Å; S134-E241 VanDerWaalsContact OG-OE1 3.06Å; V142-E241 HydrophobicContact CB-CG 4.17Å; V142-E241 HydrophobicContact CG2-CG 4.45Å; E236-E241 HydrophobicContact CB-CB 3.92Å; E236-E241 HydrophobicContact CG-CB 4.13Å; E236-E241 WeakPolarHBondContact CG-O 3.25Å; M237-E241 PolarHBondContact N-OE2 2.78Å; S238-E241 WeakPolarHBondContact O-CA 3.05Å; S238-E241 VanDerWaalsContact O-CB 3.26Å; S238-E241 WeakPolarHBondContact O-CB 3.26Å; S238-E241 PolarHBondContact O-N 2.87Å; L239-E241 PolarHBondContact O-N 3.21Å; E241-R361 PolarHBondContact O-NE 3.35Å; E241-R361 PolarHBondContact O-NH1 3.42Å; E241-R361 VanDerWaalsContact O-NH1 3.14Å; E241-R361 PolarHBondContact O-NH2 3.31Å
242	C	88.6	Confident	85.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.183	C	C	.	.	S	Bend	trans	-109.4	151.9	168.3	-60.5	0	0	0	0	114.7	V230 C232 L239 A240 I244 R361	V230-C242 HydrophobicContact CG1-CB 3.52Å; C232-C242 HydrophobicContact CB-CB 3.98Å; C232-C242 WeakPolarHBondContact CB-SG 3.19Å; C232-C242 WeakPolarHBondContact SG-CB 3.41Å; C232-C242 CovalentContact SG-SG 2.01Å; C232-C242 PolarHBondContact SG-SG 3.13Å; L239-C242 WeakPolarHBondContact O-CB 3.36Å; L239-C242 PolarHBondContact O-N 3.1Å; A240-C242 VanDerWaalsContact C-N 3.31Å; C242-I244 WeakPolarHBondContact O-CG1 3.38Å; C242-I244 PolarHBondContact O-N 2.86Å; C242-R361 VanDerWaalsContact CA-CZ 3.44Å; C242-R361 VanDerWaalsContact CA-NH1 3.34Å; C242-R361 VanDerWaalsContact N-CZ 3.27Å; C242-R361 PolarHBondContact O-NH1 2.04Å; C242-R361 PolarHBondContact O-NH2 2.8Å
243	E	86.3	Confident	84.8	Confident	39 Å²	39	33.1 Å²	33.1	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	119.6	-176.6	-177.7	165.2	-149.6	0	0	108.7	V230 H231 Y245 S360	V230-E243 CarbonylContact C-O 3.54Å; V230-E243 VanDerWaalsContact CA-O 3.27Å; V230-E243 WeakPolarHBondContact CA-O 3.33Å; H231-E243 HydrophobicContact CB-CB 4.47Å; H231-E243 PolarHBondContact N-O 3.18Å; H231-E243 PolarHBondContact O-N 3.14Å; E243-Y245 HydrophobicContact CG-CD1 4.01Å; E243-S360 VanDerWaalsContact OE1-CB 3.3Å; E243-S360 WeakPolarHBondContact OE1-CB 3.24Å; E243-S360 PolarHBondContact OE1-OG 2.99Å
244	I	84.9	Confident	84.8	Confident	23 Å²	23	33.4 Å²	33.4	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.9	-177	-47.2	-173	0	0	0	108.4	Y156 L171 V228 S229 V230 C242	Y156-I244 HydrophobicContact CE2-CD1 4.25Å; L171-I244 HydrophobicContact CD1-CG2 3.97Å; L171-I244 HydrophobicContact CD2-CD1 3.72Å; V228-I244 HydrophobicContact CB-CG2 3.86Å; V228-I244 HydrophobicContact CG1-CG2 4.43Å; V228-I244 HydrophobicContact CG2-CG2 3.75Å; S229-I244 WeakPolarHBondContact O-CA 3.22Å; V230-I244 HydrophobicContact CG2-CB 4.47Å; V230-I244 HydrophobicContact CG2-CG1 4.07Å; V230-I244 HydrophobicContact CG2-CG2 4.15Å; C242-I244 WeakPolarHBondContact O-CG1 3.38Å; C242-I244 PolarHBondContact O-N 2.86Å
245	Y	83.5	Confident	84.9	Confident	22 Å²	22	33.4 Å²	33.4	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	178	-173.7	60.8	-79.4	0	0	0	111.5	D187 S229 H231 E243 P353	D187-Y245 WeakPolarHBondContact CB-OH 2.97Å; D187-Y245 PolarHBondContact OD2-OH 2.67Å; S229-Y245 PolarHBondContact N-O 3.44Å; S229-Y245 PolarHBondContact O-N 3.25Å; H231-Y245 HydrophobicContact CB-CE1 4.01Å; E243-Y245 HydrophobicContact CG-CD1 4.01Å; Y245-P353 HydrophobicContact CD2-CB 4.14Å; Y245-P353 HydrophobicContact CD2-CG 4.02Å; Y245-P353 HydrophobicContact CE2-CG 4.46Å
246	D	79.4	Confident	85.3	Confident	33 Å²	33	31 Å²	31	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.6	82.8	174.5	-66.1	-10.6	0	0	0	115.3	M248	D246-M248 HydrophobicContact CB-CE 4.21Å; D246-M248 HydrophobicContact CB-CG 4.47Å; D246-M248 HydrophobicContact CB-SD 4.45Å; D246-M248 PolarHBondContact O-N 3.3Å
247	K	84.3	Confident	85.4	Confident	41 Å²	41	30.5 Å²	30.5	18%	0.178	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	99.8	176.8	-170.4	-173.6	178.7	-176.2	0	111.6	E179 R226 C227 V228	E179-K247 WeakPolarHBondContact OE1-CE 3.46Å; E179-K247 IonicContact OE1-NZ 3.11Å; E179-K247 PolarHBondContact OE1-NZ 3.04Å; E179-K247 IonicContact OE2-NZ 3.98Å; E179-K247 PolarHBondContact OE2-NZ 3.17Å; R226-K247 PolarHBondContact NH2-O 3.29Å; C227-K247 CarbonylContact O-C 3.45Å; C227-K247 WeakPolarHBondContact O-CA 3.44Å; V228-K247 HydrophobicContact CG1-CB 4.07Å; V228-K247 HydrophobicContact CG1-CG 4.05Å
248	M	84.9	Confident	85.7	Confident	65 Å²	65	28.1 Å²	28.1	32%	0.32	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	170.1	-172.9	-62.4	-179.6	-70.3	0	0	112.6	C184 R226 C227 D246	C184-M248 HydrophobicContact CB-CE 4.31Å; R226-M248 VanDerWaalsContact CA-O 3.26Å; R226-M248 WeakPolarHBondContact CA-O 3.29Å; R226-M248 WeakPolarHBondContact CB-O 3.47Å; C227-M248 PolarHBondContact N-O 3.32Å; C227-M248 PolarHBondContact O-N 2.71Å; D246-M248 HydrophobicContact CB-CE 4.21Å; D246-M248 HydrophobicContact CB-CG 4.47Å; D246-M248 HydrophobicContact CB-SD 4.45Å; D246-M248 PolarHBondContact O-N 3.3Å
249	A	83.9	Confident	85.8	Confident	72 Å²	72	31.6 Å²	31.6	60%	0.595	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.3	169.9	0	0	0	0	0	109.3
250	A	81.3	Confident	85.9	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	20%	0.201	C	C	.	.			trans	-83.5	-17.6	176	0	0	0	0	0	112.5	L182 Y214 S225 C227 G252 G253 V255	L182-A250 HydrophobicContact CD1-CB 4.4Å; Y214-A250 WeakPolarHBondContact CB-O 3.27Å; Y214-A250 HydrophobicContact CD2-CB 3.8Å; Y214-A250 HydrophobicContact CE2-CB 3.86Å; Y214-A250 HydrophobicContact CG-CB 4.2Å; S225-A250 PolarHBondContact O-N 3.15Å; C227-A250 HydrophobicContact CB-CB 4.28Å; A250-G252 PolarHBondContact O-N 3.02Å; A250-G253 PolarHBondContact O-N 2.78Å; A250-G253 VanDerWaalsContact O-N 3.16Å; A250-V255 HydrophobicContact CB-CG1 4.27Å
251	D	70.7	Confident	86.1	Confident	118 Å²	118	32.6 Å²	32.6	63%	0.631	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	131	-178.1	-168	5.5	0	0	0	111.7	G253	D251-G253 PolarHBondContact O-N 3.27Å
252	G	68.1	Low	85.9	Confident	60 Å²	60	40.9 Å²	40.9	62%	0.619	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	7.2	-175.9	0	0	0	0	0	115.6	A250	A250-G252 PolarHBondContact O-N 3.02Å
253	G	81.5	Confident	85.5	Confident	28 Å²	28	48.8 Å²	48.8	29%	0.289	27%	0.274	S	S	.	.	S	Bend	trans	-115.1	168	-178.1	0	0	0	0	0	114.3	Y214 A250 D251	Y214-G253 WeakPolarHBondContact CB-O 3.09Å; Y214-G253 PolarHBondContact N-O 2.79Å; Y214-G253 VanDerWaalsContact N-O 3.12Å; A250-G253 PolarHBondContact O-N 2.78Å; A250-G253 VanDerWaalsContact O-N 3.16Å; D251-G253 PolarHBondContact O-N 3.27Å
254	M	87.7	Confident	85	Confident	70 Å²	70	51.7 Å²	51.7	35%	0.345	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.8	170.5	-63.3	-67.7	-70.1	0	0	109.8	Q185 S211 V212 D213	Q185-M254 HydrophobicContact CB-CB 3.78Å; Q185-M254 WeakPolarHBondContact CB-O 3.26Å; Q185-M254 HydrophobicContact CG-CB 4.33Å; Q185-M254 PolarHBondContact N-O 3.23Å; Q185-M254 VanDerWaalsContact N-O 3.12Å; S211-M254 VanDerWaalsContact OG-CE 3.27Å; S211-M254 WeakPolarHBondContact OG-CE 3.4Å; V212-M254 WeakPolarHBondContact O-CA 3.46Å; D213-M254 VanDerWaalsContact CA-SD 3.52Å; D213-M254 HydrophobicContact CB-SD 3.81Å
255	V	90.9	Very high	84.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.5	177.1	-67.4	0	0	0	0	110.6	L166 L182 L183 S211 V212 Y214 L217 A250	L166-V255 HydrophobicContact CD1-CB 4.25Å; L166-V255 HydrophobicContact CD1-CG2 3.57Å; L182-V255 HydrophobicContact CB-CG1 4.18Å; L182-V255 HydrophobicContact CD1-CB 4.42Å; L182-V255 HydrophobicContact CD1-CG1 3.83Å; L183-V255 WeakPolarHBondContact O-CA 3.11Å; S211-V255 CarbonylContact C-O 3.6Å; S211-V255 VanDerWaalsContact CA-O 3.32Å; S211-V255 WeakPolarHBondContact CA-O 3.48Å; V212-V255 HydrophobicContact CB-CG2 4.46Å; V212-V255 PolarHBondContact N-O 2.99Å; V212-V255 VanDerWaalsContact O-CG2 3.29Å; V212-V255 WeakPolarHBondContact O-CG2 3.37Å; V212-V255 PolarHBondContact O-N 2.58Å; Y214-V255 HydrophobicContact CD2-CG1 4.08Å; L217-V255 HydrophobicContact CD1-CG2 3.98Å; A250-V255 HydrophobicContact CB-CG1 4.27Å
256	A	93.5	Very high	84.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.2	-174	0	0	0	0	0	112.3	L183 W188	L183-A256 HydrophobicContact CB-CB 3.73Å; L183-A256 PolarHBondContact O-N 3.14Å; W188-A256 HydrophobicContact CB-CB 4.11Å; W188-A256 HydrophobicContact CD2-CB 3.45Å; W188-A256 VanDerWaalsContact CD2-CB 3.45Å; W188-A256 HydrophobicContact CE3-CB 3.97Å; W188-A256 HydrophobicContact CG-CB 3.48Å; W188-A256 VanDerWaalsContact CG-CB 3.48Å; W188-A256 HydrophobicContact CZ2-CB 4.33Å
257	A	93.9	Very high	84.2	Confident	2 Å²	2	69.5 Å²	69.5	2%	0.017	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	162.7	171.4	0	0	0	0	0	110	G165 W188 D210 V212	G165-A257 CarbonylContact O-C 3.57Å; G165-A257 VanDerWaalsContact O-CA 3.24Å; G165-A257 WeakPolarHBondContact O-CA 3.36Å; G165-A257 WeakPolarHBondContact O-CB 3.5Å; W188-A257 PolarHBondContact NE1-O 3.12Å; D210-A257 CarbonylContact C-O 3.58Å; D210-A257 HydrophobicContact CB-CB 4.11Å; D210-A257 PolarHBondContact N-O 3.05Å; D210-A257 CarbonylContact O-C 3.53Å; D210-A257 PolarHBondContact O-N 2.58Å; V212-A257 HydrophobicContact CG2-CB 3.79Å
258	A	95.1	Very high	84.3	Confident	3 Å²	3	70 Å²	70	3%	0.025	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.4	174.5	0	0	0	0	0	111.8	G165 I167 W188 A193	G165-A258 PolarHBondContact O-N 3.35Å; I167-A258 HydrophobicContact CD1-CB 4.03Å; W188-A258 HydrophobicContact CZ2-CB 4.23Å; A193-A258 HydrophobicContact CB-CB 4.08Å
259	T	94.2	Very high	84.4	Confident	72 Å²	72	69 Å²	69	44%	0.442	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115	168	-59.9	0	0	0	0	108.8	A206 A207 S208 D210	A206-T259 CarbonylContact C-O 3.54Å; A206-T259 WeakPolarHBondContact CA-O 3.33Å; A207-T259 PolarHBondContact N-O 3.41Å; S208-T259 PolarHBondContact N-O 3.31Å; S208-T259 PolarHBondContact O-N 3.2Å; S208-T259 WeakPolarHBondContact OG-CB 3.39Å; D210-T259 PolarHBondContact OD2-N 2.9Å; D210-T259 PolarHBondContact OD2-OG1 3.42Å
260	C	94.2	Very high	84.8	Confident	13 Å²	13	67 Å²	67	9%	0.088	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.2	-178.8	-57.9	0	0	0	0	113.4	L160 C197 H202 K262	L160-C260 WeakPolarHBondContact CD2-SG 3.41Å; C197-C260 VanDerWaalsContact CA-SG 3.5Å; C197-C260 HydrophobicContact CB-CB 3.8Å; C197-C260 WeakPolarHBondContact CB-SG 3.11Å; C197-C260 WeakPolarHBondContact SG-CA 3.49Å; C197-C260 WeakPolarHBondContact SG-CB 3.42Å; C197-C260 CovalentContact SG-SG 2.05Å; C197-C260 PolarHBondContact SG-SG 3.3Å; H202-C260 HydrophobicContact CB-CB 3.98Å; H202-C260 VanDerWaalsContact CG-CB 3.49Å; C260-K262 PolarHBondContact O-N 3.17Å
261	Y	92.1	Very high	85.4	Confident	18 Å²	18	71 Å²	71	7%	0.071	40%	0.399	C	S	.	.			trans	-66.4	130.1	-178.7	-159	-91.7	0	0	0	110.9	H202 L204 G205 A207 T264 P265 K276 C277	H202-Y261 PolarHBondContact ND1-O 3.05Å; L204-Y261 HydrophobicContact CB-CD1 4.13Å; L204-Y261 HydrophobicContact CB-CG 4.49Å; L204-Y261 HydrophobicContact CD1-CD1 3.81Å; L204-Y261 HydrophobicContact CD1-CE1 4.02Å; G205-Y261 WeakPolarHBondContact O-CB 3.45Å; G205-Y261 PolarHBondContact O-N 2.91Å; A207-Y261 HydrophobicContact CB-CD2 3.98Å; Y261-T264 HydrophobicContact CE1-CG2 4.43Å; Y261-P265 VanDerWaalsContact OH-CD 3.25Å; Y261-P265 WeakPolarHBondContact OH-CD 3.36Å; Y261-K276 HydrophobicContact CD2-CG 4.08Å; Y261-K276 HydrophobicContact CE1-CG 4.46Å; Y261-K276 HydrophobicContact CE2-CG 3.83Å; Y261-K276 HydrophobicContact CG-CG 4.5Å; Y261-C277 PolarHBondContact OH-N 3.13Å
262	K	86.1	Confident	86.5	Confident	175 Å²	175	65.5 Å²	65.5	76%	0.761	37%	0.37	S	S	*	.			trans	-125.1	-48.7	-178.2	-67.7	179.1	-173.4	170.6	0	112.4	C260	C260-K262 PolarHBondContact O-N 3.17Å
263	E	78.6	Confident	87.7	Confident	168 Å²	168	63.9 Å²	63.9	79%	0.785	35%	0.351	S	S	*	.	S	Bend	trans	-132.7	155.1	-175.6	-67.1	-178.7	-178.9	0	0	110.7
264	T	76.2	Confident	88.2	Confident	99 Å²	99	64.4 Å²	64.4	61%	0.607	35%	0.347	S	S	*	.			trans	-77	129.2	176.8	36.7	0	0	0	0	109.7	Y261	Y261-T264 HydrophobicContact CE1-CG2 4.43Å
265	P	77.5	Confident	88.4	Confident	66 Å²	66	68.1 Å²	68.1	43%	0.429	36%	0.363	S	S	.	.			trans	-59.1	148.2	173	-20.9	30.9	0	0	0	111.8	Y261 E267 C277	Y261-P265 VanDerWaalsContact OH-CD 3.25Å; Y261-P265 WeakPolarHBondContact OH-CD 3.36Å; P265-E267 PolarHBondContact O-N 3.36Å; P265-C277 HydrophobicContact CG-CB 4.37Å
266	E	73.4	Confident	88.5	Confident	208 Å²	208	68.1 Å²	68.1	97%	0.972	36%	0.364	S	S	*	.	S	Bend	trans	-62.7	-31.2	176.9	-67.8	-175	165.5	0	0	112.7
267	E	80.4	Confident	88.5	Confident	178 Å²	178	69 Å²	69	83%	0.832	37%	0.369	S	S	*	.	S	Bend	trans	-114	114.6	172.6	-70	-172.8	167.9	0	0	110.4	P265	P265-E267 PolarHBondContact O-N 3.36Å
268	C	85.6	Confident	88.4	Confident	51 Å²	51	69.4 Å²	69.4	35%	0.345	37%	0.371	S	S	.	.			trans	-103.6	112.3	179.7	-172.5	0	0	0	0	109.9	F270 T271 C277	C268-F270 PolarHBondContact SG-O 3.31Å; C268-T271 PolarHBondContact SG-OG1 3.23Å; C268-C277 HydrophobicContact CB-CB 3.82Å; C268-C277 WeakPolarHBondContact CB-SG 3.37Å; C268-C277 VanDerWaalsContact SG-CA 3.58Å; C268-C277 WeakPolarHBondContact SG-CB 3.39Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.25Å
269	G	87.8	Confident	88.2	Confident	45 Å²	45	76 Å²	76	46%	0.464	40%	0.399	S	S	.	.	S	Bend	trans	-71.3	-44.3	178.8	0	0	0	0	0	112.8	I278	G269-I278 PolarHBondContact N-O 2.79Å
270	F	92.2	Very high	88.1	Confident	29 Å²	29	77.6 Å²	77.6	13%	0.127	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.4	175	178.3	-94.8	0	0	0	110.1	L69 L75 C268 C277 I278 T283 D295	L69-F270 HydrophobicContact CD1-CD2 4.37Å; L69-F270 HydrophobicContact CD2-CE2 4.28Å; L75-F270 HydrophobicContact CD2-CE2 3.98Å; L75-F270 HydrophobicContact CD2-CZ 4.4Å; C268-F270 PolarHBondContact SG-O 3.31Å; F270-C277 WeakPolarHBondContact O-CA 3.47Å; F270-I278 HydrophobicContact CB-CG1 4.06Å; F270-I278 HydrophobicContact CD1-CD1 3.9Å; F270-I278 HydrophobicContact CD1-CG1 3.86Å; F270-I278 HydrophobicContact CG-CG1 4.44Å; F270-I278 PolarHBondContact N-O 3.11Å; F270-I278 PolarHBondContact O-N 3.06Å; F270-T283 HydrophobicContact CB-CG2 3.79Å; F270-T283 HydrophobicContact CD1-CG2 3.85Å; F270-T283 HydrophobicContact CD2-CG2 4Å; F270-T283 HydrophobicContact CE1-CG2 4.41Å; F270-T283 HydrophobicContact CG-CG2 3.61Å; F270-D295 HydrophobicContact CE1-CB 4.41Å
271	T	93.4	Very high	87.9	Confident	86 Å²	86	81.9 Å²	81.9	53%	0.528	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.6	178.6	-49	0	0	0	0	110.2	C268	C268-T271 PolarHBondContact SG-OG1 3.23Å
272	C	93.9	Very high	87.9	Confident	4 Å²	4	82.7 Å²	82.7	3%	0.027	42%	0.424	C	S	.	.			trans	-63.6	164.1	175	-58.5	0	0	0	0	112.3	N274 Q275 K276 C290	C272-N274 VanDerWaalsContact C-N 3.27Å; C272-N274 WeakPolarHBondContact CB-OD1 3.4Å; C272-N274 PolarHBondContact O-N 3.16Å; C272-Q275 WeakPolarHBondContact O-CA 3.48Å; C272-Q275 PolarHBondContact O-N 3.5Å; C272-K276 HydrophobicContact CB-CB 4.12Å; C272-K276 VanDerWaalsContact CB-O 3.32Å; C272-K276 WeakPolarHBondContact CB-O 3.44Å; C272-K276 PolarHBondContact N-O 3.49Å; C272-K276 PolarHBondContact SG-O 3.33Å; C272-C290 HydrophobicContact CB-CB 3.65Å; C272-C290 WeakPolarHBondContact CB-SG 3.38Å; C272-C290 WeakPolarHBondContact SG-CA 2.97Å; C272-C290 WeakPolarHBondContact SG-CB 3.24Å; C272-C290 CovalentContact SG-SG 2.03Å; C272-C290 PolarHBondContact SG-SG 3.26Å
273	A	94.1	Very high	88.4	Confident	25 Å²	25	74.3 Å²	74.3	21%	0.207	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.3	176.9	0	0	0	0	0	112.3	K78 T80 Q275 S294	K78-A273 HydrophobicContact CB-CB 3.94Å; T80-A273 HydrophobicContact CG2-CB 3.61Å; A273-Q275 PolarHBondContact O-N 3.01Å; A273-S294 WeakPolarHBondContact CB-OG 3.35Å; A273-S294 PolarHBondContact N-OG 3.38Å; A273-S294 VanDerWaalsContact N-OG 3.07Å
274	N	92.1	Very high	89.2	Confident	40 Å²	40	66.3 Å²	66.3	21%	0.214	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.5	171.7	67.3	16.5	0	0	0	115.1	L204 C272 K276 C290 D292	L204-N274 HydrophobicContact CD2-CB 4.3Å; L204-N274 WeakPolarHBondContact CD2-O 3.36Å; C272-N274 VanDerWaalsContact C-N 3.27Å; C272-N274 WeakPolarHBondContact CB-OD1 3.4Å; C272-N274 PolarHBondContact O-N 3.16Å; N274-K276 VanDerWaalsContact C-N 3.26Å; N274-K276 PolarHBondContact O-N 3.05Å; N274-K276 WeakPolarHBondContact OD1-CB 2.88Å; N274-K276 PolarHBondContact OD1-N 2.82Å; N274-C290 PolarHBondContact ND2-O 3.29Å; N274-D292 VanDerWaalsContact CB-OD2 3.26Å; N274-D292 WeakPolarHBondContact CB-OD2 3.35Å; N274-D292 PolarHBondContact N-OD2 3.38Å
275	Q	91.6	Very high	90.1	Very high	147 Å²	147	62.7 Å²	62.7	69%	0.687	33%	0.327	S	S	*	.	S	Bend	trans	72.3	6.9	-180	-49.2	169.2	32.8	0	0	115.4	C272 A273	C272-Q275 WeakPolarHBondContact O-CA 3.48Å; C272-Q275 PolarHBondContact O-N 3.5Å; A273-Q275 PolarHBondContact O-N 3.01Å
276	K	92.8	Very high	90.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.009	31%	0.31	C	S	.	.			trans	-66.4	138	168.8	-171.9	-173.3	-175.5	-180	0	109.8	N194 L204 A206 Y261 C272 N274 I278 D289	N194-K276 PolarHBondContact OD1-NZ 3.38Å; L204-K276 WeakPolarHBondContact O-CD 3.44Å; A206-K276 WeakPolarHBondContact O-CE 3.06Å; A206-K276 PolarHBondContact O-NZ 2.03Å; Y261-K276 HydrophobicContact CD2-CG 4.08Å; Y261-K276 HydrophobicContact CE1-CG 4.46Å; Y261-K276 HydrophobicContact CE2-CG 3.83Å; Y261-K276 HydrophobicContact CG-CG 4.5Å; C272-K276 HydrophobicContact CB-CB 4.12Å; C272-K276 VanDerWaalsContact CB-O 3.32Å; C272-K276 WeakPolarHBondContact CB-O 3.44Å; C272-K276 PolarHBondContact N-O 3.49Å; C272-K276 PolarHBondContact SG-O 3.33Å; N274-K276 VanDerWaalsContact C-N 3.26Å; N274-K276 PolarHBondContact O-N 3.05Å; N274-K276 WeakPolarHBondContact OD1-CB 2.88Å; N274-K276 PolarHBondContact OD1-N 2.82Å; K276-I278 HydrophobicContact CD-CG2 4.23Å; K276-I278 HydrophobicContact CG-CG2 4.35Å; K276-D289 PolarHBondContact NZ-O 2.73Å
277	C	93.1	Very high	91.9	Very high	18 Å²	18	51.1 Å²	51.1	12%	0.122	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.2	172.6	-78.9	0	0	0	0	110.5	Y261 P265 C268 F270	Y261-C277 PolarHBondContact OH-N 3.13Å; P265-C277 HydrophobicContact CG-CB 4.37Å; C268-C277 HydrophobicContact CB-CB 3.82Å; C268-C277 WeakPolarHBondContact CB-SG 3.37Å; C268-C277 VanDerWaalsContact SG-CA 3.58Å; C268-C277 WeakPolarHBondContact SG-CB 3.39Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.25Å; F270-C277 WeakPolarHBondContact O-CA 3.47Å
278	I	92.8	Very high	92.6	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	168.1	176.2	64.1	170.3	0	0	0	110.2	G269 F270 K276 Q282 T283 D289 D295	G269-I278 PolarHBondContact N-O 2.79Å; F270-I278 HydrophobicContact CB-CG1 4.06Å; F270-I278 HydrophobicContact CD1-CD1 3.9Å; F270-I278 HydrophobicContact CD1-CG1 3.86Å; F270-I278 HydrophobicContact CG-CG1 4.44Å; F270-I278 PolarHBondContact N-O 3.11Å; F270-I278 PolarHBondContact O-N 3.06Å; K276-I278 HydrophobicContact CD-CG2 4.23Å; K276-I278 HydrophobicContact CG-CG2 4.35Å; I278-Q282 HydrophobicContact CD1-CB 4.27Å; I278-T283 HydrophobicContact CD1-CG2 4.08Å; I278-D289 HydrophobicContact CD1-CB 4.1Å; I278-D289 HydrophobicContact CG2-CB 4.33Å; I278-D295 HydrophobicContact CD1-CB 3.83Å
279	F	91.3	Very high	93	Very high	142 Å²	142	40.7 Å²	40.7	62%	0.623	22%	0.217	S	C	*	.			trans	-77.9	149.8	175.2	-63.9	-74.8	0	0	0	111.2	N281 Q282	F279-N281 WeakPolarHBondContact CB-OD1 3.27Å; F279-N281 PolarHBondContact O-N 2.98Å; F279-Q282 HydrophobicContact CB-CG 4.29Å; F279-Q282 WeakPolarHBondContact O-CB 3.47Å; F279-Q282 PolarHBondContact O-N 3.45Å
280	R	90.3	Very high	93.4	Very high	105 Å²	105	38.5 Å²	38.5	40%	0.396	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-67.8	-17.8	-177.5	-164.8	173.2	-175.5	167.4	7.7	113.7	D64 D66 Q282 T283 R303	D64-R280 PolarHBondContact O-NH2 3.36Å; D66-R280 VanDerWaalsContact N-NH2 3.14Å; D66-R280 VanDerWaalsContact OD2-CG 3.27Å; D66-R280 WeakPolarHBondContact OD2-CG 3.26Å; D66-R280 IonicContact OD2-CZ 3.93Å; D66-R280 IonicContact OD2-NE 2.96Å; D66-R280 PolarHBondContact OD2-NE 3.37Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-T283 PolarHBondContact O-OG1 3.06Å; R280-R303 PolarHBondContact O-NH2 3.08Å
281	N	91.2	Very high	93.4	Very high	103 Å²	103	37.3 Å²	37.3	55%	0.551	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-78.9	-15	173.5	64.2	-26.3	0	0	0	113.2	F279 T283	F279-N281 WeakPolarHBondContact CB-OD1 3.27Å; F279-N281 PolarHBondContact O-N 2.98Å; N281-T283 VanDerWaalsContact C-N 3.31Å
282	Q	92.8	Very high	93.3	Very high	35 Å²	35	34.7 Å²	34.7	16%	0.164	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-92	15	176.8	-60.5	177.4	-72.1	0	0	112.4	I278 F279 R280 D289	I278-Q282 HydrophobicContact CD1-CB 4.27Å; F279-Q282 HydrophobicContact CB-CG 4.29Å; F279-Q282 WeakPolarHBondContact O-CB 3.47Å; F279-Q282 PolarHBondContact O-N 3.45Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; Q282-D289 HydrophobicContact CB-CB 4.17Å; Q282-D289 PolarHBondContact NE2-OD1 3.06Å
283	T	95.1	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-107.7	137.7	177.2	64.3	0	0	0	0	110.3	L69 F270 I278 R280 N281 D285 D295 R303	L69-T283 HydrophobicContact CD2-CG2 4.41Å; F270-T283 HydrophobicContact CB-CG2 3.79Å; F270-T283 HydrophobicContact CD1-CG2 3.85Å; F270-T283 HydrophobicContact CD2-CG2 4Å; F270-T283 HydrophobicContact CE1-CG2 4.41Å; F270-T283 HydrophobicContact CG-CG2 3.61Å; I278-T283 HydrophobicContact CD1-CG2 4.08Å; R280-T283 PolarHBondContact O-OG1 3.06Å; N281-T283 VanDerWaalsContact C-N 3.31Å; T283-D285 VanDerWaalsContact C-N 3.31Å; T283-D295 HydrophobicContact CG2-CB 4.44Å; T283-R303 WeakPolarHBondContact O-CD 3.43Å; T283-R303 PolarHBondContact O-NE 2.94Å; T283-R303 VanDerWaalsContact O-NE 3.09Å
284	C	95.6	Very high	93.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	61.8	33.9	179.8	-59.8	0	0	0	0	113.2	F68 D295 E296 C299 C302 R303	F68-C284 HydrophobicContact CB-CB 4.28Å; C284-D295 PolarHBondContact N-O 3.06Å; C284-E296 VanDerWaalsContact C-OE2 3.3Å; C284-E296 WeakPolarHBondContact CA-OE1 3.34Å; C284-E296 VanDerWaalsContact CA-OE2 3.31Å; C284-E296 WeakPolarHBondContact CA-OE2 3.42Å; C284-E296 PolarHBondContact N-OE1 2.94Å; C284-C299 WeakPolarHBondContact CA-SG 3.35Å; C284-C299 HydrophobicContact CB-CB 3.75Å; C284-C299 WeakPolarHBondContact CB-SG 3.3Å; C284-C299 VanDerWaalsContact SG-CA 3.52Å; C284-C299 WeakPolarHBondContact SG-CB 3.14Å; C284-C299 CovalentContact SG-SG 2.03Å; C284-C299 PolarHBondContact SG-SG 3.34Å; C284-C302 CarbonylContact O-C 3.59Å; C284-C302 VanDerWaalsContact O-CA 3.22Å; C284-C302 WeakPolarHBondContact O-CA 3.22Å; C284-R303 PolarHBondContact O-N 2.92Å
285	D	94.8	Very high	93.5	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	16%	0.161	C	C	.	.	S	Bend	trans	-105.3	1.4	-177.8	78.1	-7.1	0	0	0	114.5	T283 V287 E296 R303 N304 A306	T283-D285 VanDerWaalsContact C-N 3.31Å; D285-V287 WeakPolarHBondContact OD1-CB 3.46Å; D285-V287 PolarHBondContact OD1-N 2.01Å; D285-E296 PolarHBondContact N-OE1 3.33Å; D285-E296 PolarHBondContact N-OE2 3.17Å; D285-E296 VanDerWaalsContact N-OE2 3.12Å; D285-R303 HydrophobicContact CB-CB 4.01Å; D285-N304 HydrophobicContact CB-CB 4.45Å; D285-A306 VanDerWaalsContact O-CB 3.26Å; D285-A306 WeakPolarHBondContact O-CB 3.29Å
286	G	93.6	Very high	93.7	Very high	8 Å²	8	26.3 Å²	26.3	8%	0.082	13%	0.128	C	C	.	.	S	Bend	trans	89.8	-3.6	-179.2	0	0	0	0	0	114.7	E296 H316	G286-E296 VanDerWaalsContact CA-OE2 3.27Å; G286-E296 WeakPolarHBondContact CA-OE2 3.05Å; G286-E296 PolarHBondContact N-OE2 3.45Å; G286-H316 WeakPolarHBondContact O-CB 3.37Å; G286-H316 PolarHBondContact O-N 2.74Å
287	V	94.8	Very high	93.8	Very high	23 Å²	23	26.2 Å²	26.2	14%	0.139	13%	0.128	C	C	.	.	S	Bend	trans	-106.2	143.7	-179.6	-176.1	0	0	0	0	109.9	D189 M190 A191 D285 D289 E296	D189-V287 HydrophobicContact CB-CG1 4.32Å; M190-V287 HydrophobicContact CB-CG1 4.15Å; A191-V287 HydrophobicContact CB-CG1 4.29Å; D285-V287 WeakPolarHBondContact OD1-CB 3.46Å; D285-V287 PolarHBondContact OD1-N 2.01Å; V287-D289 PolarHBondContact O-N 2.69Å; V287-E296 WeakPolarHBondContact O-CG 3.19Å
288	D	95.3	Very high	93.8	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	12%	0.124	C	C	.	.			trans	-86.3	82.7	175.1	-178.6	12.5	0	0	0	110	A191 N194 Q233 G234 G291 D292 R293	A191-D288 HydrophobicContact CB-CB 4.28Å; N194-D288 PolarHBondContact ND2-O 2.74Å; Q233-D288 WeakPolarHBondContact O-CB 3.4Å; G234-D288 WeakPolarHBondContact CA-OD2 3.19Å; D288-G291 VanDerWaalsContact OD1-CA 3.24Å; D288-G291 WeakPolarHBondContact OD1-CA 3.37Å; D288-G291 PolarHBondContact OD1-N 3.14Å; D288-G291 VanDerWaalsContact OD2-C 3.27Å; D288-G291 WeakPolarHBondContact OD2-CA 3.13Å; D288-D292 PolarHBondContact OD1-N 2.91Å; D288-R293 VanDerWaalsContact CG-N 3.32Å; D288-R293 WeakPolarHBondContact OD1-CA 3.31Å; D288-R293 PolarHBondContact OD1-N 3.33Å; D288-R293 PolarHBondContact OD2-N 2.8Å
289	D	95.3	Very high	93.9	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	12%	0.124	C	C	.	.	S	Bend	trans	-73.9	-33.2	174.7	-68.8	-95.3	0	0	0	111.4	M190 N194 K276 I278 Q282 V287 G291 D295	M190-D289 VanDerWaalsContact CB-OD1 3.27Å; M190-D289 WeakPolarHBondContact CB-OD1 3.4Å; M190-D289 WeakPolarHBondContact CG-OD1 3.32Å; N194-D289 PolarHBondContact ND2-O 2.59Å; K276-D289 PolarHBondContact NZ-O 2.73Å; I278-D289 HydrophobicContact CD1-CB 4.1Å; I278-D289 HydrophobicContact CG2-CB 4.33Å; Q282-D289 HydrophobicContact CB-CB 4.17Å; Q282-D289 PolarHBondContact NE2-OD1 3.06Å; V287-D289 PolarHBondContact O-N 2.69Å; D289-G291 PolarHBondContact O-N 3.14Å; D289-D295 VanDerWaalsContact CA-OD2 3.31Å; D289-D295 WeakPolarHBondContact CA-OD2 3.3Å; D289-D295 VanDerWaalsContact CB-OD2 3.24Å; D289-D295 WeakPolarHBondContact CB-OD2 3.35Å; D289-D295 PolarHBondContact N-OD2 2.96Å
290	C	94.6	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-67.5	-31.5	177.6	-74.4	0	0	0	0	113.8	C272 N274 D292 D295	C272-C290 HydrophobicContact CB-CB 3.65Å; C272-C290 WeakPolarHBondContact CB-SG 3.38Å; C272-C290 WeakPolarHBondContact SG-CA 2.97Å; C272-C290 WeakPolarHBondContact SG-CB 3.24Å; C272-C290 CovalentContact SG-SG 2.03Å; C272-C290 PolarHBondContact SG-SG 3.26Å; N274-C290 PolarHBondContact ND2-O 3.29Å; C290-D292 VanDerWaalsContact C-N 3.29Å; C290-D292 VanDerWaalsContact CB-OD1 3.26Å; C290-D292 WeakPolarHBondContact CB-OD1 3.27Å; C290-D295 PolarHBondContact N-OD2 3.03Å; C290-D295 VanDerWaalsContact SG-CG 3.53Å
291	G	92.6	Very high	94.1	Very high	4 Å²	4	22.8 Å²	22.8	4%	0.041	12%	0.119	C	C	.	.	S	Bend	trans	83	-3.3	-171.9	0	0	0	0	0	114.6	N194 R198 D288 D289	N194-G291 PolarHBondContact ND2-N 2.7Å; R198-G291 PolarHBondContact NH2-O 3.11Å; D288-G291 VanDerWaalsContact OD1-CA 3.24Å; D288-G291 WeakPolarHBondContact OD1-CA 3.37Å; D288-G291 PolarHBondContact OD1-N 3.14Å; D288-G291 VanDerWaalsContact OD2-C 3.27Å; D288-G291 WeakPolarHBondContact OD2-CA 3.13Å; D289-G291 PolarHBondContact O-N 3.14Å
292	D	92.8	Very high	94.3	Very high	30 Å²	30	18.9 Å²	18.9	16%	0.16	10%	0.1	C	C	.	.	S	Bend	trans	-126	7.2	171.4	65.5	4.9	0	0	0	112.4	T80 R81 N274 D288 C290 S294	T80-D292 WeakPolarHBondContact CB-O 3.27Å; T80-D292 HydrophobicContact CG2-CB 4.44Å; R81-D292 PolarHBondContact N-O 2.92Å; N274-D292 VanDerWaalsContact CB-OD2 3.26Å; N274-D292 WeakPolarHBondContact CB-OD2 3.35Å; N274-D292 PolarHBondContact N-OD2 3.38Å; D288-D292 PolarHBondContact OD1-N 2.91Å; C290-D292 VanDerWaalsContact C-N 3.29Å; C290-D292 VanDerWaalsContact CB-OD1 3.26Å; C290-D292 WeakPolarHBondContact CB-OD1 3.27Å; D292-S294 VanDerWaalsContact C-N 3.31Å; D292-S294 PolarHBondContact O-N 3.21Å; D292-S294 WeakPolarHBondContact OD1-CB 3.48Å; D292-S294 PolarHBondContact OD1-N 3.32Å; D292-S294 VanDerWaalsContact OD1-N 3.09Å; D292-S294 PolarHBondContact OD1-OG 3.15Å; D292-S294 PolarHBondContact OD2-OG 3.16Å
293	R	94.1	Very high	94.3	Very high	29 Å²	29	19.5 Å²	19.5	11%	0.109	10%	0.101	C	C	.	.	S	Bend	trans	68.2	15.3	-179.5	-153.9	170	-178.6	-171.5	0.9	115.3	R81 D288 D295 E296 M297 C314	R81-R293 HydrophobicContact CB-CB 4.02Å; D288-R293 VanDerWaalsContact CG-N 3.32Å; D288-R293 WeakPolarHBondContact OD1-CA 3.31Å; D288-R293 PolarHBondContact OD1-N 3.33Å; D288-R293 PolarHBondContact OD2-N 2.8Å; R293-D295 VanDerWaalsContact C-N 3.28Å; R293-D295 WeakPolarHBondContact CA-OD1 3.23Å; R293-D295 PolarHBondContact O-N 3.01Å; R293-E296 HydrophobicContact CG-CB 3.9Å; R293-E296 HydrophobicContact CG-CG 4.4Å; R293-E296 PolarHBondContact O-N 3.13Å; R293-E296 VanDerWaalsContact O-N 3.12Å; R293-M297 HydrophobicContact CG-CG 4.47Å; R293-M297 WeakPolarHBondContact O-CG 3.17Å; R293-C314 PolarHBondContact NH2-O 2.95Å
294	S	94.9	Very high	94	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.07	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.8	-34.9	-174	-59.8	0	0	0	0	115.2	L79 A273 D292 E296	L79-S294 WeakPolarHBondContact O-CA 3.32Å; A273-S294 WeakPolarHBondContact CB-OG 3.35Å; A273-S294 PolarHBondContact N-OG 3.38Å; A273-S294 VanDerWaalsContact N-OG 3.07Å; D292-S294 VanDerWaalsContact C-N 3.31Å; D292-S294 PolarHBondContact O-N 3.21Å; D292-S294 WeakPolarHBondContact OD1-CB 3.48Å; D292-S294 PolarHBondContact OD1-N 3.32Å; D292-S294 VanDerWaalsContact OD1-N 3.09Å; D292-S294 PolarHBondContact OD1-OG 3.15Å; D292-S294 PolarHBondContact OD2-OG 3.16Å; S294-E296 VanDerWaalsContact C-N 3.28Å; S294-E296 PolarHBondContact O-N 2.93Å
295	D	95.3	Very high	93.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.3	174.4	42.4	-5.3	0	0	0	114.2	F270 I278 T283 C284 D289 C290 R293	F270-D295 HydrophobicContact CE1-CB 4.41Å; I278-D295 HydrophobicContact CD1-CB 3.83Å; T283-D295 HydrophobicContact CG2-CB 4.44Å; C284-D295 PolarHBondContact N-O 3.06Å; D289-D295 VanDerWaalsContact CA-OD2 3.31Å; D289-D295 WeakPolarHBondContact CA-OD2 3.3Å; D289-D295 VanDerWaalsContact CB-OD2 3.24Å; D289-D295 WeakPolarHBondContact CB-OD2 3.35Å; D289-D295 PolarHBondContact N-OD2 2.96Å; C290-D295 PolarHBondContact N-OD2 3.03Å; C290-D295 VanDerWaalsContact SG-CG 3.53Å; R293-D295 VanDerWaalsContact C-N 3.28Å; R293-D295 WeakPolarHBondContact CA-OD1 3.23Å; R293-D295 PolarHBondContact O-N 3.01Å
296	E	94.9	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-104	0.7	-174.1	-58.4	-54	116.2	0	0	114	C284 D285 G286 V287 R293 S294 V313 C314	C284-E296 VanDerWaalsContact C-OE2 3.3Å; C284-E296 WeakPolarHBondContact CA-OE1 3.34Å; C284-E296 VanDerWaalsContact CA-OE2 3.31Å; C284-E296 WeakPolarHBondContact CA-OE2 3.42Å; C284-E296 PolarHBondContact N-OE1 2.94Å; D285-E296 PolarHBondContact N-OE1 3.33Å; D285-E296 PolarHBondContact N-OE2 3.17Å; D285-E296 VanDerWaalsContact N-OE2 3.12Å; G286-E296 VanDerWaalsContact CA-OE2 3.27Å; G286-E296 WeakPolarHBondContact CA-OE2 3.05Å; G286-E296 PolarHBondContact N-OE2 3.45Å; V287-E296 WeakPolarHBondContact O-CG 3.19Å; R293-E296 HydrophobicContact CG-CB 3.9Å; R293-E296 HydrophobicContact CG-CG 4.4Å; R293-E296 PolarHBondContact O-N 3.13Å; R293-E296 VanDerWaalsContact O-N 3.12Å; S294-E296 VanDerWaalsContact C-N 3.28Å; S294-E296 PolarHBondContact O-N 2.93Å; E296-V313 WeakPolarHBondContact O-CA 3.47Å; E296-C314 PolarHBondContact O-N 3.17Å; E296-C314 WeakPolarHBondContact OE2-CB 3.43Å
297	M	93.9	Very high	93.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-97.6	-7.7	-170.7	-67.9	-70.8	-54.3	0	0	114	L79 T80 L86 V87 R293 G312 V313	L79-M297 HydrophobicContact CB-CB 3.9Å; T80-M297 WeakPolarHBondContact O-CE 3.26Å; L86-M297 HydrophobicContact CB-CE 3.63Å; L86-M297 HydrophobicContact CD1-CE 3.99Å; L86-M297 HydrophobicContact CG-CE 4.48Å; V87-M297 HydrophobicContact CG1-CE 3.86Å; V87-M297 HydrophobicContact CG1-SD 3.81Å; V87-M297 HydrophobicContact CG2-CE 3.94Å; V87-M297 HydrophobicContact CG2-SD 4.35Å; R293-M297 HydrophobicContact CG-CG 4.47Å; R293-M297 WeakPolarHBondContact O-CG 3.17Å; M297-G312 CarbonylContact C-O 3.37Å; M297-V313 HydrophobicContact CE-CG2 4.36Å; M297-V313 HydrophobicContact SD-CG1 4.38Å; M297-V313 HydrophobicContact SD-CG2 4.28Å
298	C	94.4	Very high	93.4	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	-140.7	71.4	-173.4	-167.3	0	0	0	0	112	G70 C74 L75	G70-C298 WeakPolarHBondContact CA-O 3.25Å; G70-C298 PolarHBondContact N-O 3.43Å; C74-C298 HydrophobicContact CB-CB 4.41Å; C74-C298 WeakPolarHBondContact CB-SG 3.36Å; C74-C298 VanDerWaalsContact SG-CA 3.54Å; C74-C298 WeakPolarHBondContact SG-CB 3.21Å; C74-C298 CovalentContact SG-SG 2.02Å; C74-C298 PolarHBondContact SG-SG 3.22Å; L75-C298 HydrophobicContact CD2-CB 3.88Å; L75-C298 PolarHBondContact N-SG 3.28Å
299	C	93.9	Very high	93.3	Very high	6 Å²	6	29 Å²	29	4%	0.041	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-124.8	132	-170	-57.8	0	0	0	0	112.2	F68 C284 H308 G312 C314	F68-C299 CarbonylContact O-C 3.49Å; C284-C299 WeakPolarHBondContact CA-SG 3.35Å; C284-C299 HydrophobicContact CB-CB 3.75Å; C284-C299 WeakPolarHBondContact CB-SG 3.3Å; C284-C299 VanDerWaalsContact SG-CA 3.52Å; C284-C299 WeakPolarHBondContact SG-CB 3.14Å; C284-C299 CovalentContact SG-SG 2.03Å; C284-C299 PolarHBondContact SG-SG 3.34Å; C299-H308 PolarHBondContact O-NE2 3.09Å; C299-G312 PolarHBondContact N-O 3.39Å; C299-G312 VanDerWaalsContact O-CA 3.24Å; C299-G312 WeakPolarHBondContact O-CA 3.11Å; C299-C314 WeakPolarHBondContact CB-SG 3.47Å; C299-C314 VanDerWaalsContact SG-SG 3.62Å
300	K	93	Very high	92.9	Very high	153 Å²	153	33.4 Å²	33.4	67%	0.665	17%	0.173	S	C	*	.	S	Bend	trans	-82.5	-34.8	170.8	-174.5	-175.3	175.4	-168.7	0	111.5	F68 H308	F68-K300 PolarHBondContact O-N 3.25Å; K300-H308 PolarHBondContact O-CE1 3.42Å; K300-H308 PolarHBondContact O-NE2 2.73Å
301	S	93.1	Very high	92.6	Very high	37 Å²	37	34.4 Å²	34.4	26%	0.259	18%	0.18	S	C	.	.	S	Bend	trans	-150.2	162.7	173.3	56.7	0	0	0	0	108.8	F68	F68-S301 VanDerWaalsContact CD1-OG 3.3Å; F68-S301 WeakPolarHBondContact CD1-OG 3.44Å; F68-S301 PolarHBondContact O-N 3Å
302	C	94.6	Very high	92.5	Very high	22 Å²	22	34.9 Å²	34.9	15%	0.149	18%	0.184	C	C	.	.			trans	-104.4	144.8	179	-52.5	0	0	0	0	112	F68 C284 A306 H308 C314	F68-C302 WeakPolarHBondContact CE1-O 2.99Å; C284-C302 CarbonylContact O-C 3.59Å; C284-C302 VanDerWaalsContact O-CA 3.22Å; C284-C302 WeakPolarHBondContact O-CA 3.22Å; C302-A306 HydrophobicContact CB-CB 3.71Å; C302-A306 WeakPolarHBondContact CB-O 3.1Å; C302-H308 WeakPolarHBondContact SG-CA 3.49Å; C302-H308 WeakPolarHBondContact SG-CB 3.41Å; C302-C314 WeakPolarHBondContact CA-SG 3.42Å; C302-C314 HydrophobicContact CB-CB 4.02Å; C302-C314 WeakPolarHBondContact CB-SG 3.03Å; C302-C314 VanDerWaalsContact SG-CA 3.54Å; C302-C314 WeakPolarHBondContact SG-CB 3.05Å; C302-C314 CovalentContact SG-SG 2.03Å; C302-C314 PolarHBondContact SG-SG 2.89Å
303	R	93.8	Very high	92.5	Very high	48 Å²	48	33.5 Å²	33.5	18%	0.181	18%	0.177	C	C	.	.	S	Bend	trans	-82.1	170.3	171.9	-60.7	-179.3	-175.7	-95.2	1.9	110.5	D66 F68 R280 T283 C284 D285 G305 A306	D66-R303 IonicContact OD1-CZ 3.76Å; D66-R303 IonicContact OD1-NH2 3.71Å; D66-R303 PolarHBondContact OD1-NH2 3.07Å; D66-R303 IonicContact OD2-NH2 2.78Å; D66-R303 PolarHBondContact OD2-NH2 2.94Å; F68-R303 HydrophobicContact CB-CG 4.13Å; F68-R303 HydrophobicContact CD1-CB 4.33Å; F68-R303 HydrophobicContact CD1-CG 3.41Å; F68-R303 VanDerWaalsContact CD1-CG 3.41Å; F68-R303 HydrophobicContact CD2-CG 3.81Å; F68-R303 HydrophobicContact CE1-CB 4.3Å; F68-R303 HydrophobicContact CE1-CG 3.65Å; F68-R303 HydrophobicContact CE2-CG 4.03Å; F68-R303 HydrophobicContact CG-CG 3.49Å; F68-R303 VanDerWaalsContact CG-CG 3.49Å; F68-R303 HydrophobicContact CZ-CG 3.96Å; R280-R303 PolarHBondContact O-NH2 3.08Å; T283-R303 WeakPolarHBondContact O-CD 3.43Å; T283-R303 PolarHBondContact O-NE 2.94Å; T283-R303 VanDerWaalsContact O-NE 3.09Å; C284-R303 PolarHBondContact O-N 2.92Å; D285-R303 HydrophobicContact CB-CB 4.01Å; R303-G305 PolarHBondContact O-N 3.42Å; R303-A306 WeakPolarHBondContact O-CB 3.45Å; R303-A306 PolarHBondContact O-N 3.48Å
304	N	88.4	Confident	92.6	Very high	122 Å²	122	32.1 Å²	32.1	65%	0.652	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	22.7	168.4	-59.2	-20.9	0	0	0	115.9	D285 A306	D285-N304 HydrophobicContact CB-CB 4.45Å; N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 2.6Å
305	G	85.8	Confident	92.5	Very high	38 Å²	38	31.7 Å²	31.7	39%	0.392	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	23.7	-177	0	0	0	0	0	114.1	R303 R317 F341	R303-G305 PolarHBondContact O-N 3.42Å; G305-R317 PolarHBondContact O-NE 3.3Å; G305-F341 WeakPolarHBondContact O-CE2 3.3Å; G305-F341 WeakPolarHBondContact O-CZ 3.28Å
306	A	92.7	Very high	92.4	Very high	12 Å²	12	34.2 Å²	34.2	10%	0.099	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.5	156.5	167.6	0	0	0	0	0	111.7	D285 C302 R303 N304 L315	D285-A306 VanDerWaalsContact O-CB 3.26Å; D285-A306 WeakPolarHBondContact O-CB 3.29Å; C302-A306 HydrophobicContact CB-CB 3.71Å; C302-A306 WeakPolarHBondContact CB-O 3.1Å; R303-A306 WeakPolarHBondContact O-CB 3.45Å; R303-A306 PolarHBondContact O-N 3.48Å; N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 2.6Å; A306-L315 WeakPolarHBondContact CB-O 3.44Å
307	F	94.3	Very high	92.1	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129	-178.1	-175	-90.8	0	0	0	110.8	C314 L315 V320 A331 D332 F341	F307-C314 WeakPolarHBondContact O-CA 3.21Å; F307-L315 HydrophobicContact CB-CB 4.34Å; F307-L315 HydrophobicContact CD1-CD1 4.25Å; F307-L315 PolarHBondContact N-O 3.14Å; F307-L315 PolarHBondContact O-N 2.81Å; F307-V320 HydrophobicContact CB-CG2 3.49Å; F307-V320 VanDerWaalsContact CB-CG2 3.49Å; F307-V320 HydrophobicContact CD1-CG2 4.35Å; F307-V320 HydrophobicContact CD2-CG1 4.35Å; F307-V320 HydrophobicContact CD2-CG2 3.81Å; F307-V320 HydrophobicContact CG-CG2 3.63Å; F307-A331 HydrophobicContact CE1-CB 4.25Å; F307-A331 HydrophobicContact CZ-CB 4.12Å; F307-D332 HydrophobicContact CD1-CB 4.36Å; F307-D332 HydrophobicContact CE1-CB 4.02Å; F307-F341 HydrophobicContact CB-CD2 4.5Å; F307-F341 HydrophobicContact CB-CE2 4.01Å; F307-F341 HydrophobicContact CB-CZ 4.14Å; F307-F341 HydrophobicContact CD2-CB 4.3Å; F307-F341 AromaticContact CD2-CD2 3.7Å; F307-F341 HydrophobicContact CD2-CD2 3.7Å; F307-F341 HydrophobicContact CD2-CE2 4.07Å; F307-F341 AromaticContact CD2-CG 3.94Å; F307-F341 HydrophobicContact CD2-CG 3.94Å; F307-F341 HydrophobicContact CE2-CB 4.45Å
308	H	93.8	Very high	91.6	Very high	71 Å²	71	42 Å²	42	33%	0.329	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.2	-179.5	-174.4	-112.8	0	0	0	111.4	C299 K300 C302	C299-H308 PolarHBondContact O-NE2 3.09Å; K300-H308 PolarHBondContact O-CE1 3.42Å; K300-H308 PolarHBondContact O-NE2 2.73Å; C302-H308 WeakPolarHBondContact SG-CA 3.49Å; C302-H308 WeakPolarHBondContact SG-CB 3.41Å
309	C	92.2	Very high	91.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-74.8	148	168.4	-58.9	0	0	0	0	110.5	S311 G312 V313 C327	C309-S311 WeakPolarHBondContact CB-OG 3.06Å; C309-S311 PolarHBondContact O-N 3.39Å; C309-S311 VanDerWaalsContact O-N 3.1Å; C309-G312 PolarHBondContact O-N 3.14Å; C309-V313 HydrophobicContact CB-CB 4.24Å; C309-V313 WeakPolarHBondContact CB-O 3.41Å; C309-V313 PolarHBondContact N-O 3.15Å; C309-C327 VanDerWaalsContact CA-SG 3.59Å; C309-C327 HydrophobicContact CB-CB 3.78Å; C309-C327 WeakPolarHBondContact CB-SG 3.16Å; C309-C327 VanDerWaalsContact SG-CA 3.53Å; C309-C327 WeakPolarHBondContact SG-CB 3.23Å; C309-C327 CovalentContact SG-SG 2.04Å; C309-C327 PolarHBondContact SG-SG 3.44Å
310	R	88.5	Confident	91.2	Very high	97 Å²	97	42.9 Å²	42.9	37%	0.366	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	174.7	-64.9	-172.3	-170.8	-166.1	-7.4	113.9	G312 D329 P525 H528 E596	R310-G312 PolarHBondContact O-N 3.12Å; R310-D329 WeakPolarHBondContact CD-OD2 3.48Å; R310-D329 VanDerWaalsContact CG-OD2 3.27Å; R310-D329 WeakPolarHBondContact CG-OD2 3.32Å; R310-D329 IonicContact NE-OD2 2.78Å; R310-P525 HydrophobicContact CB-CG 4.42Å; R310-H528 PolarHBondContact NH1-ND1 3.17Å; R310-H528 VanDerWaalsContact NH1-ND1 3.17Å; R310-E596 IonicContact CZ-OE1 2.58Å; R310-E596 IonicContact NE-OE1 3.05Å; R310-E596 PolarHBondContact NE-OE1 2.63Å; R310-E596 IonicContact NH2-OE1 3.98Å; R310-E596 PolarHBondContact NH2-OE1 3.23Å
311	S	87.6	Confident	91	Very high	22 Å²	22	37.3 Å²	37.3	15%	0.154	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.8	174.2	54.9	0	0	0	0	113.8	C309	C309-S311 WeakPolarHBondContact CB-OG 3.06Å; C309-S311 PolarHBondContact O-N 3.39Å; C309-S311 VanDerWaalsContact O-N 3.1Å
312	G	90.4	Very high	90.6	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	20%	0.201	C	C	.	.	S	Bend	trans	86.7	23.7	-176.4	0	0	0	0	0	113.8	M297 C299 C309 R310	M297-G312 CarbonylContact C-O 3.37Å; C299-G312 PolarHBondContact N-O 3.39Å; C299-G312 VanDerWaalsContact O-CA 3.24Å; C299-G312 WeakPolarHBondContact O-CA 3.11Å; C309-G312 PolarHBondContact O-N 3.14Å; R310-G312 PolarHBondContact O-N 3.12Å
313	V	93.9	Very high	90.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.222	C	C	.	.			trans	-106.1	138.3	178.1	178.6	0	0	0	0	109.3	L86 V87 E296 M297 C309 L315	L86-V313 HydrophobicContact CB-CG2 4.3Å; V87-V313 HydrophobicContact CG1-CG1 4.07Å; V87-V313 HydrophobicContact CG1-CG2 3.99Å; E296-V313 WeakPolarHBondContact O-CA 3.47Å; M297-V313 HydrophobicContact CE-CG2 4.36Å; M297-V313 HydrophobicContact SD-CG1 4.38Å; M297-V313 HydrophobicContact SD-CG2 4.28Å; C309-V313 HydrophobicContact CB-CB 4.24Å; C309-V313 WeakPolarHBondContact CB-O 3.41Å; C309-V313 PolarHBondContact N-O 3.15Å; V313-L315 HydrophobicContact CG1-CD2 4.11Å
314	C	95.3	Very high	89.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.9	173.5	-71.7	0	0	0	0	111.1	R293 E296 C299 C302 F307	R293-C314 PolarHBondContact NH2-O 2.95Å; E296-C314 PolarHBondContact O-N 3.17Å; E296-C314 WeakPolarHBondContact OE2-CB 3.43Å; C299-C314 WeakPolarHBondContact CB-SG 3.47Å; C299-C314 VanDerWaalsContact SG-SG 3.62Å; C302-C314 WeakPolarHBondContact CA-SG 3.42Å; C302-C314 HydrophobicContact CB-CB 4.02Å; C302-C314 WeakPolarHBondContact CB-SG 3.03Å; C302-C314 VanDerWaalsContact SG-CA 3.54Å; C302-C314 WeakPolarHBondContact SG-CB 3.05Å; C302-C314 CovalentContact SG-SG 2.03Å; C302-C314 PolarHBondContact SG-SG 2.89Å; F307-C314 WeakPolarHBondContact O-CA 3.21Å
315	L	93.6	Very high	89.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.2	179.5	-54	-176.3	0	0	0	110.4	A306 F307 V313 A319 D326 C327 D332	A306-L315 WeakPolarHBondContact CB-O 3.44Å; F307-L315 HydrophobicContact CB-CB 4.34Å; F307-L315 HydrophobicContact CD1-CD1 4.25Å; F307-L315 PolarHBondContact N-O 3.14Å; F307-L315 PolarHBondContact O-N 2.81Å; V313-L315 HydrophobicContact CG1-CD2 4.11Å; L315-A319 HydrophobicContact CB-CB 4.3Å; L315-D326 HydrophobicContact CD1-CB 3.66Å; L315-D326 HydrophobicContact CD2-CB 4.11Å; L315-C327 VanDerWaalsContact CD1-SG 3.53Å; L315-D332 HydrophobicContact CD1-CB 3.95Å
316	H	92	Very high	89.8	Confident	55 Å²	55	34.8 Å²	34.8	26%	0.255	18%	0.18	S	C	.	.			trans	-60.8	150.7	169.6	-167.5	-103.3	0	0	0	111.3	G286 N318 A319	G286-H316 WeakPolarHBondContact O-CB 3.37Å; G286-H316 PolarHBondContact O-N 2.74Å; H316-N318 PolarHBondContact ND1-N 2.65Å; H316-N318 PolarHBondContact O-N 3.19Å; H316-N318 VanDerWaalsContact O-N 3.15Å; H316-A319 WeakPolarHBondContact O-CB 3.43Å; H316-A319 PolarHBondContact O-N 2.97Å
317	R	88.3	Confident	89.7	Confident	86 Å²	86	34.2 Å²	34.2	33%	0.325	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57.6	-34.4	-176.6	-53.3	179.7	105.5	-174.5	1.2	112.5	G305 A319 V320 F341 A345 D347	G305-R317 PolarHBondContact O-NE 3.3Å; R317-A319 PolarHBondContact O-N 3.35Å; R317-V320 PolarHBondContact O-N 2.82Å; R317-F341 HydrophobicContact CB-CE1 4.26Å; R317-F341 HydrophobicContact CB-CZ 4.35Å; R317-F341 HydrophobicContact CG-CE1 4.46Å; R317-F341 HydrophobicContact CG-CZ 4.09Å; R317-A345 VanDerWaalsContact NH2-CB 3.26Å; R317-D347 IonicContact CZ-OD2 2.84Å; R317-D347 IonicContact NH1-OD2 3.83Å; R317-D347 PolarHBondContact NH1-OD2 3.04Å; R317-D347 IonicContact NH2-OD2 2.81Å
318	N	85.1	Confident	89.3	Confident	77 Å²	77	33.8 Å²	33.8	41%	0.412	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-73	-7.8	-179.5	-62.1	-9.1	0	0	0	114.5	H316	H316-N318 PolarHBondContact ND1-N 2.65Å; H316-N318 PolarHBondContact O-N 3.19Å; H316-N318 VanDerWaalsContact O-N 3.15Å
319	A	88.2	Confident	88.9	Confident	13 Å²	13	30.8 Å²	30.8	11%	0.107	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-88.3	-11	174.1	0	0	0	0	0	112.4	L315 H316 R317 D326	L315-A319 HydrophobicContact CB-CB 4.3Å; H316-A319 WeakPolarHBondContact O-CB 3.43Å; H316-A319 PolarHBondContact O-N 2.97Å; R317-A319 PolarHBondContact O-N 3.35Å; A319-D326 WeakPolarHBondContact CB-OD2 3.41Å
320	V	91.1	Very high	88.7	Confident	19 Å²	19	30.8 Å²	30.8	12%	0.115	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	120.3	-178.2	-176	0	0	0	0	110.1	F307 R317 D322 V338 F341	F307-V320 HydrophobicContact CB-CG2 3.49Å; F307-V320 VanDerWaalsContact CB-CG2 3.49Å; F307-V320 HydrophobicContact CD1-CG2 4.35Å; F307-V320 HydrophobicContact CD2-CG1 4.35Å; F307-V320 HydrophobicContact CD2-CG2 3.81Å; F307-V320 HydrophobicContact CG-CG2 3.63Å; R317-V320 PolarHBondContact O-N 2.82Å; V320-D322 VanDerWaalsContact C-N 3.32Å; V320-V338 HydrophobicContact CG1-CB 4.47Å; V320-V338 HydrophobicContact CG1-CG1 4.47Å; V320-V338 HydrophobicContact CG1-CG2 4.03Å; V320-F341 HydrophobicContact CB-CD1 4.1Å; V320-F341 HydrophobicContact CB-CE1 4.22Å; V320-F341 HydrophobicContact CG1-CB 4.49Å; V320-F341 HydrophobicContact CG1-CD1 3.89Å; V320-F341 HydrophobicContact CG1-CE1 4.49Å; V320-F341 HydrophobicContact CG1-CG 4.4Å; V320-F341 HydrophobicContact CG2-CD1 4.04Å; V320-F341 HydrophobicContact CG2-CE1 3.86Å; V320-F341 HydrophobicContact CG2-CZ 4.35Å
321	G	88.1	Confident	88.8	Confident	35 Å²	35	26.3 Å²	26.3	36%	0.361	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	23.9	178.9	0	0	0	0	0	113.8	Q323 D332 E333	G321-Q323 VanDerWaalsContact C-N 3.26Å; G321-D332 PolarHBondContact N-O 3.4Å; G321-E333 WeakPolarHBondContact CA-OE1 3.28Å; G321-E333 WeakPolarHBondContact CA-OE2 3.33Å; G321-E333 PolarHBondContact N-OE1 3.23Å
322	D	85.2	Confident	89.1	Confident	22 Å²	22	25.2 Å²	25.2	12%	0.118	14%	0.137	C	C	.	.	S	Bend	trans	-89.3	9.5	178.5	90.4	-13.6	0	0	0	112.7	V320 L324 E333 K362 R366	V320-D322 VanDerWaalsContact C-N 3.32Å; D322-L324 PolarHBondContact O-N 2.97Å; D322-L324 WeakPolarHBondContact OD1-CA 3.31Å; D322-L324 WeakPolarHBondContact OD1-CB 3.09Å; D322-L324 PolarHBondContact OD1-N 3.33Å; D322-E333 PolarHBondContact N-OE1 3.46Å; D322-K362 IonicContact OD2-NZ 3.85Å; D322-K362 PolarHBondContact OD2-NZ 3.31Å; D322-R366 PolarHBondContact O-NH2 3.05Å
323	Q	84.7	Confident	89.1	Confident	126 Å²	126	26.3 Å²	26.3	59%	0.589	14%	0.138	S	C	*	.	S	Bend	trans	63	22	-177.8	-50	171	13	0	0	113.3	G321 E333 R366	G321-Q323 VanDerWaalsContact C-N 3.26Å; Q323-E333 VanDerWaalsContact CA-CD 3.48Å; Q323-E333 WeakPolarHBondContact CA-OE2 3.27Å; Q323-E333 PolarHBondContact N-OE1 2.82Å; Q323-E333 PolarHBondContact N-OE2 3.17Å; Q323-R366 VanDerWaalsContact OE1-CZ 3.25Å
324	L	84.3	Confident	89	Confident	21 Å²	21	26.7 Å²	26.7	11%	0.11	14%	0.142	C	C	.	.			trans	-121.7	113.7	169.6	-175.6	71.2	0	0	0	109.2	D322 D326 D332 E333 T365	D322-L324 PolarHBondContact O-N 2.97Å; D322-L324 WeakPolarHBondContact OD1-CA 3.31Å; D322-L324 WeakPolarHBondContact OD1-CB 3.09Å; D322-L324 PolarHBondContact OD1-N 3.33Å; L324-D326 PolarHBondContact O-N 3.35Å; L324-D332 VanDerWaalsContact O-OD2 3.06Å; L324-E333 PolarHBondContact N-OE1 2.86Å; L324-T365 HydrophobicContact CD1-CG2 4.12Å; L324-T365 HydrophobicContact CD2-CG2 4.46Å
325	I	86.8	Confident	88.6	Confident	21 Å²	21	33.4 Å²	33.4	11%	0.108	17%	0.173	C	C	.	.			trans	-70.7	102.2	-179.9	-60.5	157.4	0	0	0	110.9	F88 C327 E333 R369 L597 F643	F88-I325 VanDerWaalsContact CD2-O 3.28Å; F88-I325 WeakPolarHBondContact CD2-O 3.45Å; F88-I325 HydrophobicContact CE2-CG2 3.74Å; F88-I325 HydrophobicContact CZ-CG2 4.32Å; I325-C327 VanDerWaalsContact CG2-O 3.24Å; I325-C327 WeakPolarHBondContact CG2-O 3.06Å; I325-E333 HydrophobicContact CG1-CB 4.16Å; I325-E333 HydrophobicContact CG1-CG 3.96Å; I325-R369 PolarHBondContact O-NH1 3.35Å; I325-R369 PolarHBondContact O-NH2 2.96Å; I325-L597 HydrophobicContact CD1-CD1 3.32Å; I325-L597 HydrophobicContact CG1-CD1 3.82Å; I325-F643 HydrophobicContact CD1-CE1 4.32Å; I325-F643 HydrophobicContact CD1-CZ 4.34Å
326	D	89.4	Confident	88.3	Confident	24 Å²	24	41.9 Å²	41.9	13%	0.128	21%	0.21	C	C	.	.			trans	-94.1	-37.5	179.4	-75.8	-35.7	0	0	0	112.4	L315 A319 L324 D332	L315-D326 HydrophobicContact CD1-CB 3.66Å; L315-D326 HydrophobicContact CD2-CB 4.11Å; A319-D326 WeakPolarHBondContact CB-OD2 3.41Å; L324-D326 PolarHBondContact O-N 3.35Å; D326-D332 PolarHBondContact N-OD2 2.81Å
327	C	90.2	Very high	88.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	21%	0.214	C	C	.	.	S	Bend	trans	-76.6	140.9	171.4	-62	0	0	0	0	110.5	F88 C309 L315 I325 D329 G330 D332	F88-C327 WeakPolarHBondContact CE2-O 3.43Å; C309-C327 VanDerWaalsContact CA-SG 3.59Å; C309-C327 HydrophobicContact CB-CB 3.78Å; C309-C327 WeakPolarHBondContact CB-SG 3.16Å; C309-C327 VanDerWaalsContact SG-CA 3.53Å; C309-C327 WeakPolarHBondContact SG-CB 3.23Å; C309-C327 CovalentContact SG-SG 2.04Å; C309-C327 PolarHBondContact SG-SG 3.44Å; L315-C327 VanDerWaalsContact CD1-SG 3.53Å; I325-C327 VanDerWaalsContact CG2-O 3.24Å; I325-C327 WeakPolarHBondContact CG2-O 3.06Å; C327-D329 VanDerWaalsContact CB-OD1 3.31Å; C327-D329 WeakPolarHBondContact CB-OD1 3.09Å; C327-D329 PolarHBondContact O-N 3.49Å; C327-D329 VanDerWaalsContact O-N 3.15Å; C327-G330 PolarHBondContact O-N 3.39Å; C327-D332 VanDerWaalsContact CB-OD1 3.23Å; C327-D332 WeakPolarHBondContact CB-OD1 3.3Å; C327-D332 PolarHBondContact N-OD1 3.13Å
328	L	87.4	Confident	88.1	Confident	5 Å²	5	41 Å²	41	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.8	-178.5	-67.5	178.5	0	0	0	114.1	G85 L86 F88 W519 T520 L523	G85-L328 WeakPolarHBondContact O-CD1 3.45Å; L86-L328 WeakPolarHBondContact O-CD1 2.96Å; L86-L328 VanDerWaalsContact O-CG 3.27Å; L86-L328 WeakPolarHBondContact O-CG 3.44Å; F88-L328 HydrophobicContact CD2-CD2 4.34Å; F88-L328 HydrophobicContact CE1-CD2 4.44Å; F88-L328 HydrophobicContact CE2-CD2 4.13Å; F88-L328 HydrophobicContact CZ-CD2 4.18Å; L328-W519 HydrophobicContact CD2-CZ2 3.99Å; L328-T520 HydrophobicContact CD1-CG2 3.91Å; L328-L523 HydrophobicContact CB-CD1 3.79Å; L328-L523 VanDerWaalsContact O-CD1 3.24Å; L328-L523 WeakPolarHBondContact O-CD1 3.36Å
329	D	85.4	Confident	88.1	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.3	179.2	63.5	-12.6	0	0	0	113.6	R310 C327 A331 E596	R310-D329 WeakPolarHBondContact CD-OD2 3.48Å; R310-D329 VanDerWaalsContact CG-OD2 3.27Å; R310-D329 WeakPolarHBondContact CG-OD2 3.32Å; R310-D329 IonicContact NE-OD2 2.78Å; C327-D329 VanDerWaalsContact CB-OD1 3.31Å; C327-D329 WeakPolarHBondContact CB-OD1 3.09Å; C327-D329 PolarHBondContact O-N 3.49Å; C327-D329 VanDerWaalsContact O-N 3.15Å; D329-A331 VanDerWaalsContact C-N 3.27Å; D329-A331 PolarHBondContact O-N 3.25Å; D329-A331 WeakPolarHBondContact OD1-CB 3.38Å; D329-A331 PolarHBondContact OD1-N 2.96Å; D329-E596 HydrophobicContact CB-CG 4.47Å; D329-E596 WeakPolarHBondContact O-CB 3.46Å; D329-E596 PolarHBondContact O-N 3.22Å; D329-E596 VanDerWaalsContact O-N 3.08Å
330	G	88.1	Confident	88	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	23%	0.228	C	C	.	.			trans	69.2	19.1	-177.7	0	0	0	0	0	114.9	C327 D332 E333 A334	C327-G330 PolarHBondContact O-N 3.39Å; G330-D332 PolarHBondContact O-N 3.16Å; G330-E333 PolarHBondContact O-N 2.74Å; G330-E333 VanDerWaalsContact O-N 3.15Å; G330-A334 PolarHBondContact O-N 3.37Å; G330-A334 VanDerWaalsContact O-N 3.14Å
331	A	90.8	Very high	87.6	Confident	2 Å²	2	45.1 Å²	45.1	2%	0.017	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32	-178.3	0	0	0	0	0	113.5	F307 D329 E333 A334 R337 E596	F307-A331 HydrophobicContact CE1-CB 4.25Å; F307-A331 HydrophobicContact CZ-CB 4.12Å; D329-A331 VanDerWaalsContact C-N 3.27Å; D329-A331 PolarHBondContact O-N 3.25Å; D329-A331 WeakPolarHBondContact OD1-CB 3.38Å; D329-A331 PolarHBondContact OD1-N 2.96Å; A331-E333 PolarHBondContact O-N 2.85Å; A331-A334 PolarHBondContact O-N 3.21Å; A331-R337 HydrophobicContact CB-CG 4.44Å; A331-R337 WeakPolarHBondContact O-CB 3.03Å; A331-R337 WeakPolarHBondContact O-CG 3.06Å; A331-E596 HydrophobicContact CB-CG 4.07Å
332	D	92.1	Very high	87.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.8	178.5	56.3	-56.3	0	0	0	113.5	F307 L315 G321 L324 D326 C327 G330 V338	F307-D332 HydrophobicContact CD1-CB 4.36Å; F307-D332 HydrophobicContact CE1-CB 4.02Å; L315-D332 HydrophobicContact CD1-CB 3.95Å; G321-D332 PolarHBondContact N-O 3.4Å; L324-D332 VanDerWaalsContact O-OD2 3.06Å; D326-D332 PolarHBondContact N-OD2 2.81Å; C327-D332 VanDerWaalsContact CB-OD1 3.23Å; C327-D332 WeakPolarHBondContact CB-OD1 3.3Å; C327-D332 PolarHBondContact N-OD1 3.13Å; G330-D332 PolarHBondContact O-N 3.16Å; D332-V338 WeakPolarHBondContact O-CG2 3.42Å
333	E	91.8	Very high	87	Confident	36 Å²	36	50.2 Å²	50.2	17%	0.168	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-2.2	178.5	-66.7	-57.5	144	0	0	113.1	G321 D322 Q323 L324 I325 G330 A331 Q335 L597	G321-E333 WeakPolarHBondContact CA-OE1 3.28Å; G321-E333 WeakPolarHBondContact CA-OE2 3.33Å; G321-E333 PolarHBondContact N-OE1 3.23Å; D322-E333 PolarHBondContact N-OE1 3.46Å; Q323-E333 VanDerWaalsContact CA-CD 3.48Å; Q323-E333 WeakPolarHBondContact CA-OE2 3.27Å; Q323-E333 PolarHBondContact N-OE1 2.82Å; Q323-E333 PolarHBondContact N-OE2 3.17Å; L324-E333 PolarHBondContact N-OE1 2.86Å; I325-E333 HydrophobicContact CG1-CB 4.16Å; I325-E333 HydrophobicContact CG1-CG 3.96Å; G330-E333 PolarHBondContact O-N 2.74Å; G330-E333 VanDerWaalsContact O-N 3.15Å; A331-E333 PolarHBondContact O-N 2.85Å; E333-Q335 PolarHBondContact O-N 2.03Å; E333-L597 HydrophobicContact CB-CD2 4.48Å
334	A	90.8	Very high	86.2	Confident	9 Å²	9	48.2 Å²	48.2	7%	0.074	26%	0.264	C	S	.	.			trans	-74.7	117.4	178.7	0	0	0	0	0	110.1	G330 A331 K336 R337 V338 E596	G330-A334 PolarHBondContact O-N 3.37Å; G330-A334 VanDerWaalsContact O-N 3.14Å; A331-A334 PolarHBondContact O-N 3.21Å; A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 2.82Å; A334-R337 HydrophobicContact CB-CB 4.21Å; A334-R337 HydrophobicContact CB-CG 4.04Å; A334-R337 WeakPolarHBondContact O-CA 3.37Å; A334-R337 WeakPolarHBondContact O-CB 3.48Å; A334-R337 PolarHBondContact O-N 2.77Å; A334-V338 PolarHBondContact O-N 3.26Å; A334-E596 HydrophobicContact CB-CB 3.91Å
335	Q	87.7	Confident	85.1	Confident	140 Å²	140	48 Å²	48	65%	0.654	27%	0.265	S	S	*	.	H	α-helix	trans	-44.8	-48.3	-174.1	-178.5	177.1	1.1	0	0	114.1	E333 R337 V338 E339	E333-Q335 PolarHBondContact O-N 2.03Å; Q335-R337 VanDerWaalsContact C-N 3.3Å; Q335-R337 PolarHBondContact O-N 3Å; Q335-V338 PolarHBondContact O-N 3.14Å; Q335-E339 HydrophobicContact CG-CG 4.43Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.47Å; Q335-E339 PolarHBondContact NE2-OE1 2.65Å; Q335-E339 WeakPolarHBondContact O-CB 3.49Å; Q335-E339 VanDerWaalsContact O-CG 3.3Å; Q335-E339 WeakPolarHBondContact O-CG 3.43Å; Q335-E339 PolarHBondContact O-N 2.85Å
336	K	87.6	Confident	83.4	Confident	180 Å²	180	52.6 Å²	52.6	78%	0.783	30%	0.299	S	S	*	.	H	α-helix	trans	-62.1	-36	179.7	-66.4	-178.5	-178.9	176.7	0	113.2	A334 A340	A334-K336 VanDerWaalsContact C-N 3.28Å; A334-K336 PolarHBondContact O-N 2.82Å; K336-A340 WeakPolarHBondContact O-CB 3.27Å; K336-A340 PolarHBondContact O-N 3.5Å; K336-A340 VanDerWaalsContact O-N 3.12Å
337	R	86.8	Confident	81.4	Confident	93 Å²	93	55.9 Å²	55.9	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-74.1	-43.5	178.8	-69.5	-70.9	-163.8	159.8	7.2	110.7	A331 A334 Q335 A340 F341 E596	A331-R337 HydrophobicContact CB-CG 4.44Å; A331-R337 WeakPolarHBondContact O-CB 3.03Å; A331-R337 WeakPolarHBondContact O-CG 3.06Å; A334-R337 HydrophobicContact CB-CB 4.21Å; A334-R337 HydrophobicContact CB-CG 4.04Å; A334-R337 WeakPolarHBondContact O-CA 3.37Å; A334-R337 WeakPolarHBondContact O-CB 3.48Å; A334-R337 PolarHBondContact O-N 2.77Å; Q335-R337 VanDerWaalsContact C-N 3.3Å; Q335-R337 PolarHBondContact O-N 3Å; R337-A340 PolarHBondContact O-N 3.2Å; R337-F341 WeakPolarHBondContact O-CB 3.49Å; R337-F341 PolarHBondContact O-N 2.05Å; R337-E596 IonicContact CZ-OE1 2.94Å; R337-E596 IonicContact NE-OE1 2.8Å; R337-E596 PolarHBondContact NE-OE1 3.42Å; R337-E596 VanDerWaalsContact NE-OE1 3.17Å; R337-E596 IonicContact NH2-OE1 3.85Å; R337-E596 PolarHBondContact NH2-OE1 2.85Å
338	V	87.9	Confident	79	Confident	29 Å²	29	63.5 Å²	63.5	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-49.8	175	177.4	0	0	0	0	110.2	V320 D332 A334 Q335 A340 F341 T342	V320-V338 HydrophobicContact CG1-CB 4.47Å; V320-V338 HydrophobicContact CG1-CG1 4.47Å; V320-V338 HydrophobicContact CG1-CG2 4.03Å; D332-V338 WeakPolarHBondContact O-CG2 3.42Å; A334-V338 PolarHBondContact O-N 3.26Å; Q335-V338 PolarHBondContact O-N 3.14Å; V338-A340 PolarHBondContact O-N 2.02Å; V338-F341 PolarHBondContact O-N 2.86Å; V338-T342 HydrophobicContact CG1-CG2 4.34Å; V338-T342 WeakPolarHBondContact O-CG2 3.43Å; V338-T342 PolarHBondContact O-N 3.38Å; V338-T342 PolarHBondContact O-OG1 3.17Å; V338-T342 VanDerWaalsContact O-OG1 3.05Å
339	E	86.6	Confident	76.8	Confident	102 Å²	102	68.8 Å²	68.8	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-41.3	177.5	-72.3	170	-174.8	0	0	112.5	Q335 F341 T342 S343	Q335-E339 HydrophobicContact CG-CG 4.43Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.47Å; Q335-E339 PolarHBondContact NE2-OE1 2.65Å; Q335-E339 WeakPolarHBondContact O-CB 3.49Å; Q335-E339 VanDerWaalsContact O-CG 3.3Å; Q335-E339 WeakPolarHBondContact O-CG 3.43Å; Q335-E339 PolarHBondContact O-N 2.85Å; E339-F341 VanDerWaalsContact C-N 3.35Å; E339-T342 PolarHBondContact O-OG1 3.11Å; E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.12Å; E339-S343 PolarHBondContact O-N 2.96Å; E339-S343 PolarHBondContact O-OG 3.38Å
340	A	85	Confident	74.5	Confident	57 Å²	57	74.5 Å²	74.5	47%	0.471	43%	0.425	S	S	.	.	H	α-helix	trans	-66.6	-35.6	176.5	0	0	0	0	0	112.7	K336 R337 V338 S343 A344	K336-A340 WeakPolarHBondContact O-CB 3.27Å; K336-A340 PolarHBondContact O-N 3.5Å; K336-A340 VanDerWaalsContact O-N 3.12Å; R337-A340 PolarHBondContact O-N 3.2Å; V338-A340 PolarHBondContact O-N 2.02Å; A340-S343 WeakPolarHBondContact CA-OG 3.46Å; A340-S343 PolarHBondContact O-OG 3.49Å; A340-S343 VanDerWaalsContact O-OG 3.11Å; A340-A344 PolarHBondContact O-N 2.99Å
341	F	83.9	Confident	72.3	Confident	37 Å²	37	79 Å²	79	16%	0.162	46%	0.456	C	S	.	.	H	α-helix	trans	-74.6	-45.8	179.2	-177.1	-104.5	0	0	0	112.1	G305 F307 R317 V320 R337 V338 E339 S343 A344 A345	G305-F341 WeakPolarHBondContact O-CE2 3.3Å; G305-F341 WeakPolarHBondContact O-CZ 3.28Å; F307-F341 HydrophobicContact CB-CD2 4.5Å; F307-F341 HydrophobicContact CB-CE2 4.01Å; F307-F341 HydrophobicContact CB-CZ 4.14Å; F307-F341 HydrophobicContact CD2-CB 4.3Å; F307-F341 AromaticContact CD2-CD2 3.7Å; F307-F341 HydrophobicContact CD2-CD2 3.7Å; F307-F341 HydrophobicContact CD2-CE2 4.07Å; F307-F341 AromaticContact CD2-CG 3.94Å; F307-F341 HydrophobicContact CD2-CG 3.94Å; F307-F341 HydrophobicContact CE2-CB 4.45Å; R317-F341 HydrophobicContact CB-CE1 4.26Å; R317-F341 HydrophobicContact CB-CZ 4.35Å; R317-F341 HydrophobicContact CG-CE1 4.46Å; R317-F341 HydrophobicContact CG-CZ 4.09Å; V320-F341 HydrophobicContact CB-CD1 4.1Å; V320-F341 HydrophobicContact CB-CE1 4.22Å; V320-F341 HydrophobicContact CG1-CB 4.49Å; V320-F341 HydrophobicContact CG1-CD1 3.89Å; V320-F341 HydrophobicContact CG1-CE1 4.49Å; V320-F341 HydrophobicContact CG1-CG 4.4Å; V320-F341 HydrophobicContact CG2-CD1 4.04Å; V320-F341 HydrophobicContact CG2-CE1 3.86Å; V320-F341 HydrophobicContact CG2-CZ 4.35Å; R337-F341 WeakPolarHBondContact O-CB 3.49Å; R337-F341 PolarHBondContact O-N 2.05Å; V338-F341 PolarHBondContact O-N 2.86Å; E339-F341 VanDerWaalsContact C-N 3.35Å; F341-S343 VanDerWaalsContact C-N 3.33Å; F341-S343 PolarHBondContact O-N 2.81Å; F341-A344 PolarHBondContact O-N 3.08Å; F341-A345 PolarHBondContact O-N 2.87Å
342	T	82.3	Confident	70	Confident	67 Å²	67	82.7 Å²	82.7	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-68.6	-30.9	179.3	56.6	0	0	0	0	112.6	V338 E339 A344 A345	V338-T342 HydrophobicContact CG1-CG2 4.34Å; V338-T342 WeakPolarHBondContact O-CG2 3.43Å; V338-T342 PolarHBondContact O-N 3.38Å; V338-T342 PolarHBondContact O-OG1 3.17Å; V338-T342 VanDerWaalsContact O-OG1 3.05Å; E339-T342 PolarHBondContact O-OG1 3.11Å; T342-A344 VanDerWaalsContact C-N 3.35Å; T342-A345 PolarHBondContact O-N 3.4Å; T342-A345 VanDerWaalsContact O-O 3.11Å
343	S	76.9	Confident	67.8	Low	96 Å²	96	85.6 Å²	85.6	67%	0.671	51%	0.505	S	S	*	.	H	α-helix	trans	-72.8	-25.2	173.7	55.2	0	0	0	0	113.9	E339 A340 F341	E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.12Å; E339-S343 PolarHBondContact O-N 2.96Å; E339-S343 PolarHBondContact O-OG 3.38Å; A340-S343 WeakPolarHBondContact CA-OG 3.46Å; A340-S343 PolarHBondContact O-OG 3.49Å; A340-S343 VanDerWaalsContact O-OG 3.11Å; F341-S343 VanDerWaalsContact C-N 3.33Å; F341-S343 PolarHBondContact O-N 2.81Å
344	A	68.4	Low	65.3	Low	85 Å²	85	91.3 Å²	91.3	70%	0.702	54%	0.537	S	S	*	.	H	α-helix	trans	-83.3	-25.1	174.3	0	0	0	0	0	112.8	A340 F341 T342 S346	A340-A344 PolarHBondContact O-N 2.99Å; F341-A344 PolarHBondContact O-N 3.08Å; T342-A344 VanDerWaalsContact C-N 3.35Å; A344-S346 PolarHBondContact O-N 3.2Å
345	A	62.2	Low	63.2	Low	15 Å²	15	95.9 Å²	95.9	12%	0.124	56%	0.564	C	S	.	*			trans	-79.9	100.4	172.2	0	0	0	0	0	109.6	R317 F341 T342 D347	R317-A345 VanDerWaalsContact NH2-CB 3.26Å; F341-A345 PolarHBondContact O-N 2.87Å; T342-A345 PolarHBondContact O-N 3.4Å; T342-A345 VanDerWaalsContact O-O 3.11Å; A345-D347 PolarHBondContact O-N 3.45Å
346	S	50.6	Low	61.4	Low	118 Å²	118	92.4 Å²	92.4	83%	0.825	56%	0.555	S	S	*	*			trans	-70.7	34	177.4	61.9	0	0	0	0	114.3	A344	A344-S346 PolarHBondContact O-N 3.2Å
347	D	47	Very low	59.6	Low	93 Å²	93	90.1 Å²	90.1	50%	0.497	55%	0.547	S	S	.	.	S	Bend	trans	-118.9	129.8	-175.7	-64.6	-40.5	0	0	0	109.2	R317 A345 V349	R317-D347 IonicContact CZ-OD2 2.84Å; R317-D347 IonicContact NH1-OD2 3.83Å; R317-D347 PolarHBondContact NH1-OD2 3.04Å; R317-D347 IonicContact NH2-OD2 2.81Å; A345-D347 PolarHBondContact O-N 3.45Å; D347-V349 VanDerWaalsContact C-N 3.32Å; D347-V349 PolarHBondContact O-N 2.93Å
348	N	39.8	Very low	58.3	Low	162 Å²	162	88.5 Å²	88.5	87%	0.866	54%	0.542	S	S	*	.			trans	-54.7	97.8	167.9	-85.5	-27.5	0	0	0	108.2	T350	N348-T350 PolarHBondContact O-N 3.46Å
349	V	41.3	Very low	56.9	Low	116 Å²	116	89.6 Å²	89.6	70%	0.703	55%	0.546	S	S	*	.			trans	-62.3	95.4	167.9	178.5	0	0	0	0	106	D347 S351	D347-V349 VanDerWaalsContact C-N 3.32Å; D347-V349 PolarHBondContact O-N 2.93Å; V349-S351 PolarHBondContact O-N 3.41Å
350	T	36.8	Very low	55.9	Low	126 Å²	126	85.4 Å²	85.4	77%	0.773	53%	0.528	S	S	*	.			trans	-52.9	114.8	164.7	19.2	0	0	0	0	106.4	N348	N348-T350 PolarHBondContact O-N 3.46Å
351	S	41.1	Very low	55.4	Low	97 Å²	97	84 Å²	84	68%	0.678	51%	0.511	S	S	*	.			trans	-40.1	139.8	170.7	50.7	0	0	0	0	110.7	V349	V349-S351 PolarHBondContact O-N 3.41Å
352	A	43.9	Very low	55	Low	78 Å²	78	84.5 Å²	84.5	65%	0.645	51%	0.513	S	S	*	.	S	Bend	trans	-32.9	138.6	176	0	0	0	0	0	113.2	N354	A352-N354 PolarHBondContact O-N 3.34Å
353	P	44.7	Very low	54.8	Low	62 Å²	62	85.3 Å²	85.3	40%	0.403	52%	0.515	S	S	.	.			trans	-55.4	117.6	-175.6	20.5	-30.9	0	0	0	110.1	Y245 T355	Y245-P353 HydrophobicContact CD2-CB 4.14Å; Y245-P353 HydrophobicContact CD2-CG 4.02Å; Y245-P353 HydrophobicContact CE2-CG 4.46Å; P353-T355 PolarHBondContact O-N 3.2Å; P353-T355 VanDerWaalsContact O-N 3.17Å
354	N	41	Very low	54.9	Low	156 Å²	156	81.3 Å²	81.3	83%	0.834	49%	0.485	S	S	*	.	S	Bend	trans	-81.2	8.6	-168.1	-127.1	-7.5	0	0	0	113.2	A352	A352-N354 PolarHBondContact O-N 3.34Å
355	T	45.9	Very low	55.4	Low	105 Å²	105	78.4 Å²	78.4	64%	0.644	46%	0.459	S	S	*	.			trans	-148.8	67.1	-179.2	49.1	0	0	0	0	111.6	P353 E357	P353-T355 PolarHBondContact O-N 3.2Å; P353-T355 VanDerWaalsContact O-N 3.17Å; T355-E357 PolarHBondContact O-N 2.56Å; T355-E357 VanDerWaalsContact O-N 3.14Å
356	S	49	Very low	56.3	Low	66 Å²	66	81.2 Å²	81.2	46%	0.462	47%	0.466	S	S	.	.			trans	-74.6	100.1	162	74.7	0	0	0	0	108.6	Y358	S356-Y358 WeakPolarHBondContact CB-O 3.39Å; S356-Y358 PolarHBondContact O-N 3.14Å; S356-Y358 PolarHBondContact OG-O 3.39Å; S356-Y358 VanDerWaalsContact OG-O 3.09Å
357	E	50.5	Low	57.8	Low	133 Å²	133	77.3 Å²	77.3	62%	0.621	44%	0.441	S	S	*	.	S	Bend	trans	-56.9	-13.7	164.6	-90.7	-175.5	156.6	0	0	111.9	T355	T355-E357 PolarHBondContact O-N 2.56Å; T355-E357 VanDerWaalsContact O-N 3.14Å
358	Y	59.8	Low	59.2	Low	58 Å²	58	72.9 Å²	72.9	23%	0.227	42%	0.417	C	S	.	.	S	Bend	trans	-120.2	148	-171.4	-55.5	-81.8	0	0	0	112.1	S356 S360	S356-Y358 WeakPolarHBondContact CB-O 3.39Å; S356-Y358 PolarHBondContact O-N 3.14Å; S356-Y358 PolarHBondContact OG-O 3.39Å; S356-Y358 VanDerWaalsContact OG-O 3.09Å; Y358-S360 PolarHBondContact O-N 3.24Å; Y358-S360 VanDerWaalsContact O-N 3.14Å
359	I	58.1	Low	61.1	Low	53 Å²	53	66.8 Å²	66.8	27%	0.272	38%	0.382	S	S	.	.			trans	-69.4	111	174.4	-67	151.6	0	0	0	108.3	K114 F145 R361 E364	K114-I359 HydrophobicContact CD-CD1 3.28Å; K114-I359 HydrophobicContact CD-CG1 3.91Å; K114-I359 HydrophobicContact CD-CG2 4.19Å; F145-I359 HydrophobicContact CB-CB 4.18Å; F145-I359 HydrophobicContact CB-CD1 3.8Å; F145-I359 HydrophobicContact CD1-CB 4.43Å; F145-I359 HydrophobicContact CD1-CG2 4.15Å; F145-I359 HydrophobicContact CD2-CB 4.5Å; F145-I359 HydrophobicContact CG-CB 4.1Å; F145-I359 HydrophobicContact CG-CD1 4.48Å; F145-I359 HydrophobicContact CG-CG2 4.31Å; I359-R361 PolarHBondContact O-N 2.83Å; I359-E364 HydrophobicContact CG2-CG 4.48Å
360	S	66.1	Low	62.9	Low	14 Å²	14	68.8 Å²	68.8	10%	0.098	38%	0.381	C	S	.	.			trans	-63.2	133.3	174.2	173.8	0	0	0	0	111	E243 Y358 K362 N363	E243-S360 VanDerWaalsContact OE1-CB 3.3Å; E243-S360 WeakPolarHBondContact OE1-CB 3.24Å; E243-S360 PolarHBondContact OE1-OG 2.99Å; Y358-S360 PolarHBondContact O-N 3.24Å; Y358-S360 VanDerWaalsContact O-N 3.14Å; S360-K362 VanDerWaalsContact C-N 3.26Å; S360-K362 PolarHBondContact O-N 2.95Å; S360-K362 PolarHBondContact OG-N 3Å; S360-N363 WeakPolarHBondContact O-CB 3.28Å; S360-N363 PolarHBondContact O-N 2.91Å
361	R	74.4	Confident	64.8	Low	27 Å²	27	64.9 Å²	64.9	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-26.3	176.3	-67.4	-149.5	-60.5	-57.6	-38.1	113.9	Y127 F145 A240 E241 C242 I359 N363 E364 T365	Y127-R361 HydrophobicContact CE2-CG 4.49Å; Y127-R361 WeakPolarHBondContact OH-CD 3.49Å; Y127-R361 PolarHBondContact OH-NE 2.91Å; Y127-R361 VanDerWaalsContact OH-NE 3.14Å; F145-R361 HydrophobicContact CE2-CG 3.61Å; F145-R361 HydrophobicContact CZ-CG 3.61Å; A240-R361 PolarHBondContact O-NH1 3.27Å; A240-R361 VanDerWaalsContact O-NH1 3.11Å; E241-R361 PolarHBondContact O-NE 3.35Å; E241-R361 PolarHBondContact O-NH1 3.42Å; E241-R361 VanDerWaalsContact O-NH1 3.14Å; E241-R361 PolarHBondContact O-NH2 3.31Å; C242-R361 VanDerWaalsContact CA-CZ 3.44Å; C242-R361 VanDerWaalsContact CA-NH1 3.34Å; C242-R361 VanDerWaalsContact N-CZ 3.27Å; C242-R361 PolarHBondContact O-NH1 2.04Å; C242-R361 PolarHBondContact O-NH2 2.8Å; I359-R361 PolarHBondContact O-N 2.83Å; R361-N363 PolarHBondContact O-N 3.36Å; R361-E364 PolarHBondContact O-N 3.09Å; R361-T365 WeakPolarHBondContact O-CB 3.42Å; R361-T365 PolarHBondContact O-N 3.22Å; R361-T365 PolarHBondContact O-OG1 3.3Å
362	K	74.6	Confident	66.3	Low	47 Å²	47	62 Å²	62	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-39.4	173.8	-69.5	-166.9	175.3	-157	0	110.1	D322 S360 T365 R366	D322-K362 IonicContact OD2-NZ 3.85Å; D322-K362 PolarHBondContact OD2-NZ 3.31Å; S360-K362 VanDerWaalsContact C-N 3.26Å; S360-K362 PolarHBondContact O-N 2.95Å; S360-K362 PolarHBondContact OG-N 3Å; K362-T365 PolarHBondContact O-N 3.24Å; K362-R366 VanDerWaalsContact O-CB 3.32Å; K362-R366 WeakPolarHBondContact O-CB 3.47Å; K362-R366 PolarHBondContact O-N 3.34Å
363	N	78.2	Confident	67.6	Low	85 Å²	85	60.3 Å²	60.3	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-44.6	177.7	-65.3	-24.1	0	0	0	112.6	S360 R361 R366 A367	S360-N363 WeakPolarHBondContact O-CB 3.28Å; S360-N363 PolarHBondContact O-N 2.91Å; R361-N363 PolarHBondContact O-N 3.36Å; N363-R366 PolarHBondContact O-N 2.94Å; N363-A367 WeakPolarHBondContact O-CB 3.32Å; N363-A367 PolarHBondContact O-N 3.27Å
364	E	79.4	Confident	68.8	Low	12 Å²	12	61 Å²	61	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-39	176.1	-78.3	-71	142.7	0	0	111.9	V113 K114 F145 I359 R361 A367 N368	V113-E364 VanDerWaalsContact CB-OE2 3.25Å; V113-E364 WeakPolarHBondContact CB-OE2 3.49Å; V113-E364 WeakPolarHBondContact CG1-OE2 3.23Å; K114-E364 PolarHBondContact N-OE1 3.28Å; F145-E364 HydrophobicContact CE1-CG 4.04Å; I359-E364 HydrophobicContact CG2-CG 4.48Å; R361-E364 PolarHBondContact O-N 3.09Å; E364-A367 PolarHBondContact O-N 2.04Å; E364-N368 WeakPolarHBondContact O-CB 3.39Å; E364-N368 PolarHBondContact O-N 3.13Å; E364-N368 PolarHBondContact O-ND2 2.92Å
365	T	79.7	Confident	69.9	Low	23 Å²	23	60.6 Å²	60.6	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-43.7	176.2	-56	0	0	0	0	110.7	P91 L324 R361 K362 N368 R369	P91-T365 HydrophobicContact CG-CG2 3.93Å; L324-T365 HydrophobicContact CD1-CG2 4.12Å; L324-T365 HydrophobicContact CD2-CG2 4.46Å; R361-T365 WeakPolarHBondContact O-CB 3.42Å; R361-T365 PolarHBondContact O-N 3.22Å; R361-T365 PolarHBondContact O-OG1 3.3Å; K362-T365 PolarHBondContact O-N 3.24Å; T365-N368 PolarHBondContact O-N 3.49Å; T365-R369 VanDerWaalsContact O-CB 3.31Å; T365-R369 WeakPolarHBondContact O-CB 3.31Å; T365-R369 PolarHBondContact O-N 2.03Å
366	R	81.4	Confident	70.8	Confident	74 Å²	74	57 Å²	57	28%	0.279	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.4	-166.8	-175.2	-59.5	160.8	7.3	111.9	D322 Q323 K362 N363 R369 K370	D322-R366 PolarHBondContact O-NH2 3.05Å; Q323-R366 VanDerWaalsContact OE1-CZ 3.25Å; K362-R366 VanDerWaalsContact O-CB 3.32Å; K362-R366 WeakPolarHBondContact O-CB 3.47Å; K362-R366 PolarHBondContact O-N 3.34Å; N363-R366 PolarHBondContact O-N 2.94Å; R366-R369 PolarHBondContact O-N 3.24Å; R366-K370 VanDerWaalsContact O-CB 3.31Å; R366-K370 WeakPolarHBondContact O-CB 3.4Å; R366-K370 PolarHBondContact O-N 3.49Å
367	A	80.3	Confident	71.8	Confident	36 Å²	36	59.1 Å²	59.1	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-46.6	177.2	0	0	0	0	0	112	N363 E364 R369 K370 H371	N363-A367 WeakPolarHBondContact O-CB 3.32Å; N363-A367 PolarHBondContact O-N 3.27Å; E364-A367 PolarHBondContact O-N 2.04Å; A367-R369 PolarHBondContact O-N 2.67Å; A367-K370 PolarHBondContact O-N 3.06Å; A367-H371 PolarHBondContact O-N 2.94Å
368	N	78.3	Confident	73.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-45.5	176.2	-77.9	-58.3	0	0	0	111.6	P91 E364 T365 H371 L372	P91-N368 HydrophobicContact CB-CB 4.12Å; P91-N368 HydrophobicContact CG-CB 4.25Å; E364-N368 WeakPolarHBondContact O-CB 3.39Å; E364-N368 PolarHBondContact O-N 3.13Å; E364-N368 PolarHBondContact O-ND2 2.92Å; T365-N368 PolarHBondContact O-N 3.49Å; N368-H371 PolarHBondContact O-N 2.97Å; N368-L372 WeakPolarHBondContact O-CG 3.32Å; N368-L372 PolarHBondContact O-N 3.15Å
369	R	77.8	Confident	74.3	Confident	33 Å²	33	50.3 Å²	50.3	13%	0.125	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-47.7	177.9	-178.5	170.7	-168.5	150.9	7.5	111.5	I325 T365 R366 A367 H371 L372 E373 F643	I325-R369 PolarHBondContact O-NH1 3.35Å; I325-R369 PolarHBondContact O-NH2 2.96Å; T365-R369 VanDerWaalsContact O-CB 3.31Å; T365-R369 WeakPolarHBondContact O-CB 3.31Å; T365-R369 PolarHBondContact O-N 2.03Å; R366-R369 PolarHBondContact O-N 3.24Å; A367-R369 PolarHBondContact O-N 2.67Å; R369-H371 VanDerWaalsContact C-N 3.3Å; R369-H371 PolarHBondContact O-N 2.93Å; R369-L372 PolarHBondContact O-N 2.91Å; R369-L372 VanDerWaalsContact O-N 3.12Å; R369-E373 WeakPolarHBondContact CD-OE1 3.33Å; R369-E373 HydrophobicContact CG-CG 4.28Å; R369-E373 WeakPolarHBondContact CG-OE1 3.48Å; R369-E373 IonicContact CZ-OE1 2.79Å; R369-E373 IonicContact NE-OE1 3.44Å; R369-E373 PolarHBondContact NE-OE1 3.24Å; R369-E373 WeakPolarHBondContact O-CB 3.4Å; R369-E373 WeakPolarHBondContact O-CG 3.38Å; R369-E373 PolarHBondContact O-N 3.31Å; R369-F643 VanDerWaalsContact NH2-CD1 3.32Å
370	K	79.2	Confident	75.5	Confident	158 Å²	158	52.6 Å²	52.6	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-57.4	-41.3	175.7	-174.5	177.6	-179.7	178.4	0	112.4	R366 A367 A374	R366-K370 VanDerWaalsContact O-CB 3.31Å; R366-K370 WeakPolarHBondContact O-CB 3.4Å; R366-K370 PolarHBondContact O-N 3.49Å; A367-K370 PolarHBondContact O-N 3.06Å; K370-A374 WeakPolarHBondContact O-CB 3.48Å; K370-A374 PolarHBondContact O-N 3.24Å
371	H	77.3	Confident	76.1	Confident	44 Å²	44	53.6 Å²	53.6	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-42	176.1	179.1	92.7	0	0	0	112.3	E111 A367 N368 R369 K375	E111-H371 IonicContact OE2-CE1 3.12Å; A367-H371 PolarHBondContact O-N 2.94Å; N368-H371 PolarHBondContact O-N 2.97Å; R369-H371 VanDerWaalsContact C-N 3.3Å; R369-H371 PolarHBondContact O-N 2.93Å; H371-K375 WeakPolarHBondContact NE2-CE 3.27Å; H371-K375 PolarHBondContact NE2-NZ 3.08Å
372	L	72.5	Confident	76.4	Confident	37 Å²	37	53.9 Å²	53.9	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-42.6	177.6	-68.1	171.4	0	0	0	111.5	P109 N368 R369 K375	P109-L372 HydrophobicContact CG-CD2 4.16Å; P109-L372 HydrophobicContact CG-CG 4.24Å; N368-L372 WeakPolarHBondContact O-CG 3.32Å; N368-L372 PolarHBondContact O-N 3.15Å; R369-L372 PolarHBondContact O-N 2.91Å; R369-L372 VanDerWaalsContact O-N 3.12Å; L372-K375 PolarHBondContact O-N 2.79Å
373	E	70.9	Confident	76.4	Confident	42 Å²	42	59.7 Å²	59.7	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-32.8	179.7	-71.9	175.9	-164.9	0	0	113.1	R369 K375 L376 K642 F643	R369-E373 WeakPolarHBondContact CD-OE1 3.33Å; R369-E373 HydrophobicContact CG-CG 4.28Å; R369-E373 WeakPolarHBondContact CG-OE1 3.48Å; R369-E373 IonicContact CZ-OE1 2.79Å; R369-E373 IonicContact NE-OE1 3.44Å; R369-E373 PolarHBondContact NE-OE1 3.24Å; R369-E373 WeakPolarHBondContact O-CB 3.4Å; R369-E373 WeakPolarHBondContact O-CG 3.38Å; R369-E373 PolarHBondContact O-N 3.31Å; E373-K375 PolarHBondContact O-N 3.47Å; E373-L376 PolarHBondContact O-N 3.44Å; E373-K642 HydrophobicContact CG-CG 4.31Å; E373-F643 HydrophobicContact CG-CD1 4.36Å; E373-F643 HydrophobicContact CG-CE1 4.1Å; E373-F643 WeakPolarHBondContact OE1-CE1 3.33Å
374	A	70.4	Confident	76	Confident	77 Å²	77	63 Å²	63	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-62.4	-23.1	177.6	0	0	0	0	0	113.1	K370	K370-A374 WeakPolarHBondContact O-CB 3.48Å; K370-A374 PolarHBondContact O-N 3.24Å
375	K	65.1	Low	75.4	Confident	148 Å²	148	65.5 Å²	65.5	64%	0.643	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.7	-178.5	-69.2	-179.6	-179.6	174.7	0	113.7	H371 L372 E373	H371-K375 WeakPolarHBondContact NE2-CE 3.27Å; H371-K375 PolarHBondContact NE2-NZ 3.08Å; L372-K375 PolarHBondContact O-N 2.79Å; E373-K375 PolarHBondContact O-N 3.47Å
376	L	64.6	Low	74.7	Confident	28 Å²	28	66.3 Å²	66.3	15%	0.147	35%	0.347	C	S	.	.			trans	-128.7	108.5	177.1	-168.6	64.3	0	0	0	112	E373 C378 P638 T641 K642	E373-L376 PolarHBondContact O-N 3.44Å; L376-C378 HydrophobicContact CG-CB 4.48Å; L376-P638 WeakPolarHBondContact CD1-O 3.33Å; L376-T641 VanDerWaalsContact CD2-O 3.27Å; L376-T641 WeakPolarHBondContact CD2-O 3.13Å; L376-K642 HydrophobicContact CD2-CB 4.37Å
377	S	69.7	Low	73.4	Confident	111 Å²	111	66.4 Å²	66.4	78%	0.776	35%	0.353	S	S	*	.			trans	-96	104.1	168.6	-64.8	0	0	0	0	109.7
378	C	83.5	Confident	72.1	Confident	6 Å²	6	69.5 Å²	69.5	4%	0.041	37%	0.365	C	S	.	.			trans	-136.1	161.1	173.3	64.1	0	0	0	0	110.3	L376 I380 A514 C516	L376-C378 HydrophobicContact CG-CB 4.48Å; C378-I380 PolarHBondContact O-N 2.84Å; C378-I380 VanDerWaalsContact O-N 3.09Å; C378-A514 CarbonylContact C-O 3.6Å; C378-A514 WeakPolarHBondContact CA-O 3.3Å; C378-A514 HydrophobicContact CB-CB 4.46Å; C378-C516 HydrophobicContact CB-CB 4.01Å; C378-C516 WeakPolarHBondContact CB-SG 3.34Å; C378-C516 PolarHBondContact O-SG 2.72Å; C378-C516 VanDerWaalsContact O-SG 3.33Å; C378-C516 WeakPolarHBondContact SG-CA 3.49Å; C378-C516 WeakPolarHBondContact SG-CB 3.37Å; C378-C516 CovalentContact SG-SG 2.04Å; C378-C516 PolarHBondContact SG-SG 3.32Å
379	G	79.6	Confident	70.6	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.399	C	S	.	.	S	Bend	trans	71.2	3.5	168.3	0	0	0	0	0	115.8	A514 S600	G379-A514 PolarHBondContact N-O 3.36Å; G379-S600 WeakPolarHBondContact CA-O 3.3Å; G379-S600 VanDerWaalsContact O-CB 3.29Å; G379-S600 WeakPolarHBondContact O-CB 3.46Å; G379-S600 PolarHBondContact O-N 2.68Å; G379-S600 PolarHBondContact O-OG 3.02Å
380	I	83.4	Confident	69.2	Low	102 Å²	102	80.6 Å²	80.6	52%	0.523	43%	0.426	S	S	.	.			trans	-112.9	108	178	-58.5	173.7	0	0	0	108.2	C378 V599	C378-I380 PolarHBondContact O-N 2.84Å; C378-I380 VanDerWaalsContact O-N 3.09Å; I380-V599 HydrophobicContact CG1-CG2 4.48Å
381	P	78.8	Confident	67.5	Low	35 Å²	35	78.1 Å²	78.1	23%	0.227	42%	0.424	C	S	.	.			trans	-71.8	146.4	176.7	29.1	-32.2	0	0	0	110.8	K383 W416	P381-K383 PolarHBondContact O-N 3.42Å; P381-W416 HydrophobicContact CB-CZ3 4.13Å; P381-W416 HydrophobicContact CG-CH2 4.43Å; P381-W416 HydrophobicContact CG-CZ3 4.3Å
382	N	79.4	Confident	65.6	Low	32 Å²	32	83.4 Å²	83.4	17%	0.171	45%	0.454	C	S	.	.			trans	-77.1	100.5	171.9	-174.1	2.6	0	0	0	110	D384 Q415 P510	N382-D384 VanDerWaalsContact C-N 3.3Å; N382-D384 PolarHBondContact O-N 3.28Å; N382-D384 PolarHBondContact OD1-N 3.32Å; N382-Q415 PolarHBondContact O-NE2 3.12Å; N382-P510 PolarHBondContact ND2-O 2.99Å
383	K	74.1	Confident	64	Low	169 Å²	169	89.2 Å²	89.2	74%	0.735	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-70.5	-23.8	-175	-66.3	-174.9	-179.7	178.4	0	113.5	P381 L385 V386	P381-K383 PolarHBondContact O-N 3.42Å; K383-L385 PolarHBondContact O-N 3.23Å; K383-L385 VanDerWaalsContact O-N 3.11Å; K383-V386 PolarHBondContact O-N 3.09Å
384	D	70.3	Confident	62.7	Low	154 Å²	154	95.2 Å²	95.2	82%	0.824	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-69.8	-9.6	-175	-59.1	-27.2	0	0	0	113.7	N382	N382-D384 VanDerWaalsContact C-N 3.3Å; N382-D384 PolarHBondContact O-N 3.28Å; N382-D384 PolarHBondContact OD1-N 3.32Å
385	L	67	Low	61.1	Low	65 Å²	65	95.6 Å²	95.6	34%	0.34	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-109	-1.8	-177.8	-79	171.7	0	0	0	114.9	K383 D387 T412 P510	K383-L385 PolarHBondContact O-N 3.23Å; K383-L385 VanDerWaalsContact O-N 3.11Å; L385-D387 PolarHBondContact O-N 2.7Å; L385-T412 VanDerWaalsContact C-OG1 3.31Å; L385-T412 PolarHBondContact O-OG1 3.4Å; L385-P510 HydrophobicContact CD1-CB 3.28Å; L385-P510 HydrophobicContact CD1-CG 3.39Å; L385-P510 VanDerWaalsContact CD1-O 3.31Å; L385-P510 WeakPolarHBondContact CD1-O 3.39Å
386	V	64.6	Low	59.6	Low	40 Å²	40	99.2 Å²	99.2	24%	0.242	53%	0.528	C	S	.	.			trans	-67.4	109.4	175.4	-177.1	0	0	0	0	107	K383 D388 N410	K383-V386 PolarHBondContact O-N 3.09Å; V386-D388 PolarHBondContact O-N 3.11Å; V386-N410 HydrophobicContact CG1-CB 3.85Å
387	D	55.3	Low	58.5	Low	76 Å²	76	108.4 Å²	108.4	41%	0.406	57%	0.567	S	S	.	*			trans	-73.3	95	-177.9	-174.3	8.1	0	0	0	109.6	L385 T389 P411	L385-D387 PolarHBondContact O-N 2.7Å; D387-T389 PolarHBondContact O-N 2.78Å; D387-T389 VanDerWaalsContact OD1-CB 3.23Å; D387-T389 WeakPolarHBondContact OD1-CB 3.32Å; D387-T389 VanDerWaalsContact OD1-CG2 3.29Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.31Å; D387-T389 PolarHBondContact OD1-N 3.26Å; D387-T389 PolarHBondContact OD1-OG1 2.79Å; D387-P411 HydrophobicContact CB-CB 4.33Å; D387-P411 HydrophobicContact CB-CG 4.45Å
388	D	53.6	Low	56.8	Low	101 Å²	101	107.8 Å²	107.8	54%	0.54	56%	0.562	S	S	.	*			trans	-79.7	2	175.6	-72.4	-25.4	0	0	0	112.6	V386 E390 T391	V386-D388 PolarHBondContact O-N 3.11Å; D388-E390 VanDerWaalsContact C-N 3.27Å; D388-E390 PolarHBondContact O-N 2.66Å; D388-E390 VanDerWaalsContact O-N 3.14Å; D388-T391 PolarHBondContact O-N 2.75Å; D388-T391 VanDerWaalsContact O-N 3.15Å; D388-T391 PolarHBondContact O-OG1 2.91Å
389	T	46	Very low	54.7	Low	117 Å²	117	119 Å²	119	72%	0.718	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	0.2	-167.4	68.2	0	0	0	0	115.9	D387	D387-T389 PolarHBondContact O-N 2.78Å; D387-T389 VanDerWaalsContact OD1-CB 3.23Å; D387-T389 WeakPolarHBondContact OD1-CB 3.32Å; D387-T389 VanDerWaalsContact OD1-CG2 3.29Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.31Å; D387-T389 PolarHBondContact OD1-N 3.26Å; D387-T389 PolarHBondContact OD1-OG1 2.79Å
390	E	47.3	Very low	52.6	Low	151 Å²	151	127.7 Å²	127.7	71%	0.706	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	8.2	167.2	-86.6	-157.2	-178.3	0	0	114.5	D388	D388-E390 VanDerWaalsContact C-N 3.27Å; D388-E390 PolarHBondContact O-N 2.66Å; D388-E390 VanDerWaalsContact O-N 3.14Å
391	T	43.4	Very low	50.1	Low	105 Å²	105	132 Å²	132	64%	0.644	65%	0.651	S	S	*	*	S	Bend	trans	-91.8	-15.1	-177.1	-19	0	0	0	0	114.9	D388 N393	D388-T391 PolarHBondContact O-N 2.75Å; D388-T391 VanDerWaalsContact O-N 3.15Å; D388-T391 PolarHBondContact O-OG1 2.91Å; T391-N393 PolarHBondContact O-N 3.27Å
392	D	37.6	Very low	47.9	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-0.3	-171.8	-149.8	18.4	0	0	0	115.2
393	N	40	Very low	45.9	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	24.1	179.6	-92	-37.2	0	0	0	115.2	T391	T391-N393 PolarHBondContact O-N 3.27Å
394	R	43.4	Very low	44.5	Very low	167 Å²	167	140.5 Å²	140.5	63%	0.63	69%	0.69	S	S	*	*			trans	-134.6	55.9	172.1	-62.2	-170.9	-147.1	-170.8	10.6	114.1	R396	R394-R396 PolarHBondContact O-N 2.89Å
395	G	36.3	Very low	43.9	Very low	86 Å²	86	134.1 Å²	134.1	89%	0.887	66%	0.66	S	S	*	*			trans	-66.6	59.4	149.9	0	0	0	0	0	112.2
396	R	34.2	Very low	44	Very low	223 Å²	223	131.9 Å²	131.9	84%	0.842	65%	0.653	S	S	*	*	S	Bend	trans	-154	109.2	164.5	-111.4	174.7	177.6	168.8	-0.5	107.7	R394 S398	R394-R396 PolarHBondContact O-N 2.89Å; R396-S398 PolarHBondContact O-N 2.91Å
397	K	42	Very low	44.9	Very low	222 Å²	222	135.2 Å²	135.2	97%	0.965	67%	0.669	S	S	*	*			trans	-57.2	80.4	172.7	-72.2	179.7	176.8	176.3	0	110
398	S	33.2	Very low	46.4	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	67%	0.672	S	S	*	*			trans	-86.2	120	163.6	-175.6	0	0	0	0	106.9	R396 R400	R396-S398 PolarHBondContact O-N 2.91Å; S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.46Å
399	R	39.8	Very low	48	Very low	242 Å²	242	130.3 Å²	130.3	91%	0.913	65%	0.647	S	S	*	*			trans	-57.1	93.2	169.4	-75.5	177.7	169.6	166.3	-3.9	107.8	K401	R399-K401 PolarHBondContact O-N 2.84Å
400	R	35.6	Very low	50	Low	182 Å²	182	127.8 Å²	127.8	69%	0.687	63%	0.629	S	S	*	*			trans	-66.4	114.6	175.4	-72.5	-175.1	178.1	-173.6	0.7	107.3	S398 R402	S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.46Å; R400-R402 PolarHBondContact O-N 3.22Å
401	K	29.9	Very low	51.8	Low	193 Å²	193	122.1 Å²	122.1	84%	0.839	61%	0.605	S	S	*	*			trans	-56.3	122.8	169.9	-77.2	178.4	173.4	-179.2	0	107.9	R399 V403	R399-K401 PolarHBondContact O-N 2.84Å; K401-V403 PolarHBondContact O-N 2.99Å
402	R	33.8	Very low	53.8	Low	251 Å²	251	118 Å²	118	95%	0.947	58%	0.58	S	S	*	*			trans	-55.5	108.9	166.9	-94	176.6	172.2	157.1	-4.3	107.2	R400	R400-R402 PolarHBondContact O-N 3.22Å
403	V	36.8	Very low	56.2	Low	79 Å²	79	113.3 Å²	113.3	48%	0.479	55%	0.553	S	S	.	*			trans	-79.6	126.6	166.3	-176.5	0	0	0	0	105.1	K401 G405	K401-V403 PolarHBondContact O-N 2.99Å; V403-G405 PolarHBondContact O-N 3.11Å
404	V	45.4	Very low	58.6	Low	84 Å²	84	106.6 Å²	106.6	51%	0.509	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	127.3	-172.1	-175.8	0	0	0	0	109.8	A539 H579	V404-A539 HydrophobicContact CB-CB 3.41Å; V404-A539 VanDerWaalsContact CB-CB 3.41Å; V404-A539 HydrophobicContact CG1-CB 4.33Å; V404-A539 HydrophobicContact CG2-CB 3.41Å; V404-A539 VanDerWaalsContact CG2-CB 3.41Å; V404-H579 WeakPolarHBondContact CG1-O 3.43Å
405	G	57	Low	61	Low	20 Å²	20	98.7 Å²	98.7	21%	0.206	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-14.7	163.1	0	0	0	0	0	118.4	V403 A550 H579 V580	V403-G405 PolarHBondContact O-N 3.11Å; G405-A550 WeakPolarHBondContact O-CB 3.37Å; G405-H579 PolarHBondContact N-O 2.7Å; G405-V580 WeakPolarHBondContact O-CG1 3.29Å
406	G	69.9	Low	63.7	Low	19 Å²	19	95.4 Å²	95.4	20%	0.196	45%	0.448	C	S	.	.			trans	-172.8	154.6	-179.5	0	0	0	0	0	116.6	W549	G406-W549 CarbonylContact C-O 3.55Å; G406-W549 WeakPolarHBondContact CA-O 3.5Å
407	I	83.1	Confident	66.6	Low	110 Å²	110	85 Å²	85	56%	0.564	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.7	177.3	-55.5	172.6	0	0	0	107.7	A409 W549	I407-A409 PolarHBondContact O-N 3.29Å; I407-W549 PolarHBondContact N-O 2.82Å; I407-W549 VanDerWaalsContact O-CD1 3.24Å; I407-W549 PolarHBondContact O-N 3.42Å
408	P	86.1	Confident	69.2	Low	73 Å²	73	74.4 Å²	74.4	47%	0.474	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	127	170.9	-25.8	35	0	0	0	111	V546 L548	P408-V546 HydrophobicContact CB-CG2 4.16Å; P408-L548 HydrophobicContact CB-CD2 4.26Å; P408-L548 HydrophobicContact CG-CD2 4.05Å
409	A	87.3	Confident	72.1	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.008	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-71.3	148.1	172.7	0	0	0	0	0	109.9	I407 I414 W459 L547	I407-A409 PolarHBondContact O-N 3.29Å; A409-I414 HydrophobicContact CB-CD1 4.26Å; A409-W459 PolarHBondContact O-NE1 2.88Å; A409-L547 HydrophobicContact CB-CB 4.39Å; A409-L547 HydrophobicContact CB-CD2 4.22Å; A409-L547 HydrophobicContact CB-CG 4.19Å; A409-L547 PolarHBondContact N-O 2.87Å
410	N	87.6	Confident	74.7	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.342	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.4	152.1	165.9	-69	-7.4	0	0	0	109.3	V386 T412 Q413	V386-N410 HydrophobicContact CG1-CB 3.85Å; N410-T412 PolarHBondContact O-N 3.1Å; N410-Q413 HydrophobicContact CB-CB 4.15Å; N410-Q413 VanDerWaalsContact O-CB 3.24Å; N410-Q413 WeakPolarHBondContact O-CB 3.37Å; N410-Q413 PolarHBondContact O-N 3.42Å
411	P	85.3	Confident	77.5	Confident	32 Å²	32	51.1 Å²	51.1	21%	0.208	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	139.5	168.9	-23.6	34.1	0	0	0	110.3	D387 Q413 W459	D387-P411 HydrophobicContact CB-CB 4.33Å; D387-P411 HydrophobicContact CB-CG 4.45Å; P411-Q413 PolarHBondContact O-N 2.95Å; P411-W459 HydrophobicContact CG-CD2 4.18Å; P411-W459 HydrophobicContact CG-CE3 4.29Å
412	T	85.4	Confident	80.5	Confident	19 Å²	19	44.2 Å²	44.2	12%	0.117	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	8.2	179.7	77.8	0	0	0	0	116.5	L385 N410 I414 Q415 T467 A511	L385-T412 VanDerWaalsContact C-OG1 3.31Å; L385-T412 PolarHBondContact O-OG1 3.4Å; N410-T412 PolarHBondContact O-N 3.1Å; T412-I414 PolarHBondContact O-N 3.16Å; T412-Q415 WeakPolarHBondContact O-CG 3.42Å; T412-Q415 PolarHBondContact O-NE2 3.42Å; T412-T467 HydrophobicContact CG2-CG2 4.34Å; T412-A511 HydrophobicContact CG2-CB 3.69Å
413	Q	87.7	Confident	83	Confident	55 Å²	55	37.8 Å²	37.8	26%	0.257	22%	0.217	S	C	.	.	S	Bend	trans	-63.5	-39.7	-179.9	-175	-175	-11.9	0	0	112.9	N410 P411	N410-Q413 HydrophobicContact CB-CB 4.15Å; N410-Q413 VanDerWaalsContact O-CB 3.24Å; N410-Q413 WeakPolarHBondContact O-CB 3.37Å; N410-Q413 PolarHBondContact O-N 3.42Å; P411-Q413 PolarHBondContact O-N 2.95Å
414	I	91.4	Very high	85.3	Confident	20 Å²	20	44.7 Å²	44.7	10%	0.103	23%	0.234	C	C	.	.			trans	-114.3	85.2	-173.8	-49	-176.8	0	0	0	108.9	A409 T412 W416 Q417 L547 W549	A409-I414 HydrophobicContact CB-CD1 4.26Å; T412-I414 PolarHBondContact O-N 3.16Å; I414-W416 VanDerWaalsContact C-N 3.34Å; I414-W416 HydrophobicContact CG2-CZ2 4.37Å; I414-W416 VanDerWaalsContact CG2-NE1 3.32Å; I414-W416 PolarHBondContact O-N 2.97Å; I414-Q417 HydrophobicContact CB-CB 4.27Å; I414-Q417 HydrophobicContact CG2-CB 3.8Å; I414-Q417 WeakPolarHBondContact O-CB 3.4Å; I414-Q417 PolarHBondContact O-N 3.5Å; I414-L547 HydrophobicContact CB-CD2 4.26Å; I414-L547 HydrophobicContact CD1-CD2 4.34Å; I414-W549 HydrophobicContact CD1-CB 3.54Å; I414-W549 HydrophobicContact CD1-CG 4.03Å
415	Q	92.4	Very high	87.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.4	-164.2	-62.3	178.8	-14.9	0	0	114.5	N382 T412 A511 R513	N382-Q415 PolarHBondContact O-NE2 3.12Å; T412-Q415 WeakPolarHBondContact O-CG 3.42Å; T412-Q415 PolarHBondContact O-NE2 3.42Å; Q415-A511 WeakPolarHBondContact CB-O 3.4Å; Q415-A511 WeakPolarHBondContact CG-O 3.37Å; Q415-R513 CarbonylContact C-O 3.43Å; Q415-R513 HydrophobicContact CB-CB 3.98Å; Q415-R513 HydrophobicContact CB-CG 4.29Å; Q415-R513 PolarHBondContact O-N 3.04Å
416	W	93.9	Very high	88.7	Confident	16 Å²	16	48.9 Å²	48.9	6%	0.061	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.4	174.5	47.3	75.9	0	0	0	113	P381 I414 V418 A431 Y432 R513 V515 V592 S600	P381-W416 HydrophobicContact CB-CZ3 4.13Å; P381-W416 HydrophobicContact CG-CH2 4.43Å; P381-W416 HydrophobicContact CG-CZ3 4.3Å; I414-W416 VanDerWaalsContact C-N 3.34Å; I414-W416 HydrophobicContact CG2-CZ2 4.37Å; I414-W416 VanDerWaalsContact CG2-NE1 3.32Å; I414-W416 PolarHBondContact O-N 2.97Å; W416-V418 PolarHBondContact O-N 3.19Å; W416-A431 WeakPolarHBondContact O-CA 2.92Å; W416-Y432 PolarHBondContact O-N 2.81Å; W416-R513 VanDerWaalsContact CA-O 3.24Å; W416-R513 WeakPolarHBondContact CA-O 3.36Å; W416-R513 WeakPolarHBondContact CB-O 3.36Å; W416-R513 PolarHBondContact N-O 2.61Å; W416-V515 HydrophobicContact CB-CB 3.76Å; W416-V515 HydrophobicContact CB-CG1 4.06Å; W416-V515 HydrophobicContact CD2-CB 4.07Å; W416-V515 HydrophobicContact CD2-CG2 4.4Å; W416-V515 HydrophobicContact CE3-CB 4.36Å; W416-V515 HydrophobicContact CG-CB 3.81Å; W416-V515 HydrophobicContact CG-CG1 4.35Å; W416-V515 HydrophobicContact CG-CG2 4.45Å; W416-V592 HydrophobicContact CZ2-CG1 3.94Å; W416-S600 WeakPolarHBondContact CH2-OG 3.2Å
417	Q	95.3	Very high	89.3	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.6	178.7	-178.1	71.6	40.5	0	0	109.6	I414 S533 W535 L547	I414-Q417 HydrophobicContact CB-CB 4.27Å; I414-Q417 HydrophobicContact CG2-CB 3.8Å; I414-Q417 WeakPolarHBondContact O-CB 3.4Å; I414-Q417 PolarHBondContact O-N 3.5Å; Q417-S533 PolarHBondContact OE1-O 3.06Å; Q417-S533 PolarHBondContact OE1-OG 2.05Å; Q417-W535 HydrophobicContact CG-CH2 3.74Å; Q417-W535 HydrophobicContact CG-CZ3 3.95Å; Q417-L547 HydrophobicContact CB-CD2 4.46Å; Q417-L547 HydrophobicContact CG-CD1 3.95Å; Q417-L547 HydrophobicContact CG-CD2 4.23Å
418	V	95.8	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.1	171	-56.2	0	0	0	0	111.5	W416 L420 G429 G430 V438 V454 K455 F456	W416-V418 PolarHBondContact O-N 3.19Å; V418-L420 HydrophobicContact CG2-CD1 4.15Å; V418-G429 WeakPolarHBondContact O-CA 3.32Å; V418-G430 WeakPolarHBondContact CG2-O 3Å; V418-G430 PolarHBondContact N-O 3.18Å; V418-G430 PolarHBondContact O-N 3.43Å; V418-V438 HydrophobicContact CG2-CG1 3.57Å; V418-V438 HydrophobicContact CG2-CG2 4.41Å; V418-V454 HydrophobicContact CB-CG1 3.72Å; V418-V454 HydrophobicContact CG1-CG1 4.04Å; V418-V454 HydrophobicContact CG2-CG1 3.98Å; V418-K455 WeakPolarHBondContact CA-O 3.49Å; V418-F456 HydrophobicContact CG1-CD1 3.46Å; V418-F456 VanDerWaalsContact CG1-CD1 3.46Å; V418-F456 HydrophobicContact CG1-CE1 3.47Å; V418-F456 VanDerWaalsContact CG1-CE1 3.47Å; V418-F456 HydrophobicContact CG1-CG 4.13Å; V418-F456 HydrophobicContact CG1-CZ 4.11Å
419	A	95.1	Very high	90	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.3	171.1	0	0	0	0	0	109.3	I426 K455 L458 W535	A419-I426 HydrophobicContact CB-CD1 4.18Å; A419-I426 HydrophobicContact CB-CG2 3.8Å; A419-K455 HydrophobicContact CB-CB 4.34Å; A419-K455 PolarHBondContact N-O 3.4Å; A419-K455 PolarHBondContact O-N 2.87Å; A419-L458 HydrophobicContact CB-CD2 3.85Å; A419-W535 HydrophobicContact CB-CH2 3.92Å; A419-W535 HydrophobicContact CB-CZ3 3.82Å
420	L	94.4	Very high	90.4	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.4	171.6	-80.2	81	0	0	0	108.7	V418 C428 G429 T440 V445 V494	V418-L420 HydrophobicContact CG2-CD1 4.15Å; L420-C428 PolarHBondContact N-O 3.44Å; L420-G429 WeakPolarHBondContact CD1-O 3.43Å; L420-T440 HydrophobicContact CD2-CG2 3.9Å; L420-V445 HydrophobicContact CD2-CG1 3.7Å; L420-V494 HydrophobicContact CD2-CG2 4.24Å
421	E	93.1	Very high	90.8	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.126	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.7	174.1	-179.2	179.2	88.5	0	0	109.9	R425 I426 F452 K453 K455	E421-R425 CarbonylContact C-O 3.52Å; E421-R425 VanDerWaalsContact CA-O 3.29Å; E421-R425 WeakPolarHBondContact CA-O 3.25Å; E421-I426 HydrophobicContact CB-CG1 4.13Å; E421-I426 HydrophobicContact CG-CG1 4.45Å; E421-F452 CarbonylContact O-C 3.58Å; E421-F452 WeakPolarHBondContact O-CA 3.35Å; E421-K453 HydrophobicContact CB-CB 4.46Å; E421-K453 PolarHBondContact N-O 3.49Å; E421-K453 PolarHBondContact O-N 2.88Å; E421-K455 IonicContact OE1-NZ 2.62Å; E421-K455 WeakPolarHBondContact OE2-CE 3.49Å; E421-K455 IonicContact OE2-NZ 3.44Å; E421-K455 PolarHBondContact OE2-NZ 2.78Å
422	E	92.9	Very high	91.3	Very high	47 Å²	47	41.5 Å²	41.5	22%	0.22	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.8	168.8	-171.8	-175.4	-164.9	0	0	108.4	R424 R425 A451 F452	E422-R424 VanDerWaalsContact C-N 3.25Å; E422-R424 PolarHBondContact O-N 3.15Å; E422-R424 VanDerWaalsContact O-N 3.1Å; E422-R425 PolarHBondContact N-O 3.11Å; E422-R425 PolarHBondContact O-N 2.92Å; E422-A451 WeakPolarHBondContact CA-O 3.27Å; E422-A451 HydrophobicContact CG-CB 4.42Å; E422-F452 HydrophobicContact CB-CD1 4.1Å; E422-F452 HydrophobicContact CB-CE1 3.73Å; E422-F452 HydrophobicContact CB-CZ 4.1Å; E422-F452 HydrophobicContact CG-CD1 4.48Å; E422-F452 HydrophobicContact CG-CE1 3.98Å; E422-F452 HydrophobicContact CG-CE2 4.19Å; E422-F452 HydrophobicContact CG-CZ 3.81Å
423	N	88	Confident	91.6	Very high	117 Å²	117	40.7 Å²	40.7	63%	0.626	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	42	176.1	-63.1	-49.1	0	0	0	114.3	R425 A451	N423-R425 VanDerWaalsContact C-N 3.31Å; N423-R425 PolarHBondContact O-N 3.25Å; N423-A451 PolarHBondContact N-O 3.19Å; N423-A451 VanDerWaalsContact N-O 3.14Å
424	R	84.9	Confident	91.7	Very high	224 Å²	224	38.4 Å²	38.4	85%	0.845	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	13.3	-177.5	-49.8	-179.7	-179.8	180	-0.4	115.8	E422	E422-R424 VanDerWaalsContact C-N 3.25Å; E422-R424 PolarHBondContact O-N 3.15Å; E422-R424 VanDerWaalsContact O-N 3.1Å
425	R	86.9	Confident	91.5	Very high	177 Å²	177	39.8 Å²	39.8	67%	0.668	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.9	174	-64.7	-174	-179.4	-172.7	1.1	110.4	E421 E422 N423	E421-R425 CarbonylContact C-O 3.52Å; E421-R425 VanDerWaalsContact CA-O 3.29Å; E421-R425 WeakPolarHBondContact CA-O 3.25Å; E422-R425 PolarHBondContact N-O 3.11Å; E422-R425 PolarHBondContact O-N 2.92Å; N423-R425 VanDerWaalsContact C-N 3.31Å; N423-R425 PolarHBondContact O-N 3.25Å
426	I	86.2	Confident	91.5	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	100.5	175.5	-61.3	171.7	0	0	0	107.5	A419 E421 K455 L458 K461	A419-I426 HydrophobicContact CB-CD1 4.18Å; A419-I426 HydrophobicContact CB-CG2 3.8Å; E421-I426 HydrophobicContact CB-CG1 4.13Å; E421-I426 HydrophobicContact CG-CG1 4.45Å; I426-K455 HydrophobicContact CD1-CD 4.35Å; I426-L458 HydrophobicContact CD1-CD2 3.63Å; I426-K461 HydrophobicContact CD1-CG 4.47Å; I426-K461 WeakPolarHBondContact CD1-O 3.38Å; I426-K461 WeakPolarHBondContact O-CE 3.4Å; I426-K461 PolarHBondContact O-NZ 3.39Å
427	D	82.2	Confident	91.5	Very high	95 Å²	95	40.9 Å²	40.9	51%	0.508	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-21.8	-177.8	-68.5	-24.9	0	0	0	112.5
428	C	91.4	Very high	91.5	Very high	16 Å²	16	40.7 Å²	40.7	11%	0.108	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.7	179.7	-72.9	0	0	0	0	113.6	L420 C444 S587	L420-C428 PolarHBondContact N-O 3.44Å; C428-C444 HydrophobicContact CB-CB 3.49Å; C428-C444 VanDerWaalsContact CB-CB 3.49Å; C428-C444 WeakPolarHBondContact CB-SG 3.17Å; C428-C444 VanDerWaalsContact SG-CA 3.58Å; C428-C444 WeakPolarHBondContact SG-CB 3.39Å; C428-C444 CovalentContact SG-SG 2.03Å; C428-C444 PolarHBondContact SG-SG 2.91Å; C428-S587 CarbonylContact C-O 3.6Å; C428-S587 VanDerWaalsContact CA-O 3.26Å; C428-S587 WeakPolarHBondContact CA-O 3.41Å; C428-S587 VanDerWaalsContact CB-O 3.29Å; C428-S587 WeakPolarHBondContact CB-O 3.39Å
429	G	93.4	Very high	91.6	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	177.1	168.3	0	0	0	0	0	112.6	V418 L420 T440 S587 G588	V418-G429 WeakPolarHBondContact O-CA 3.32Å; L420-G429 WeakPolarHBondContact CD1-O 3.43Å; G429-T440 PolarHBondContact O-OG1 3.07Å; G429-S587 PolarHBondContact N-O 3.02Å; G429-G588 VanDerWaalsContact C-C 3.44Å; G429-G588 CarbonylContact C-O 3.44Å; G429-G588 VanDerWaalsContact C-O 3.25Å; G429-G588 CarbonylContact O-C 3.58Å; G429-G588 WeakPolarHBondContact O-CA 3.02Å
430	G	95.6	Very high	91.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	177.2	170.7	0	0	0	0	0	110.5	V418 L439 G588	V418-G430 WeakPolarHBondContact CG2-O 3Å; V418-G430 PolarHBondContact N-O 3.18Å; V418-G430 PolarHBondContact O-N 3.43Å; G430-L439 CarbonylContact C-O 3.45Å; G430-L439 VanDerWaalsContact CA-O 3.32Å; G430-L439 WeakPolarHBondContact CA-O 3.35Å; G430-G588 VanDerWaalsContact CA-O 3.27Å; G430-G588 WeakPolarHBondContact CA-O 3.48Å; G430-G588 PolarHBondContact N-O 3.14Å
431	A	96.3	Very high	91.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.5	170.4	0	0	0	0	0	111.7	W416 I433 V438 L439 V515 P590 L602	W416-A431 WeakPolarHBondContact O-CA 2.92Å; A431-I433 PolarHBondContact O-N 3.37Å; A431-V438 WeakPolarHBondContact O-CA 3.44Å; A431-L439 PolarHBondContact N-O 2.86Å; A431-L439 PolarHBondContact O-N 3.29Å; A431-V515 HydrophobicContact CB-CG1 3.91Å; A431-P590 HydrophobicContact CB-CB 3.84Å; A431-P590 HydrophobicContact CB-CG 4.42Å; A431-L602 HydrophobicContact CB-CD1 3.75Å; A431-L602 HydrophobicContact CB-CD2 3.61Å; A431-L602 HydrophobicContact CB-CG 4.26Å
432	Y	94.5	Very high	92	Very high	28 Å²	28	39.2 Å²	39.2	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.6	171.1	179.7	-129.3	0	0	0	110.7	W416 G435 W437 V438 F456 L496 L506 V512 A514 V515	W416-Y432 PolarHBondContact O-N 2.81Å; Y432-G435 PolarHBondContact OH-N 2.85Å; Y432-G435 PolarHBondContact OH-O 3.21Å; Y432-G435 VanDerWaalsContact OH-O 3.06Å; Y432-W437 VanDerWaalsContact CD2-O 3.31Å; Y432-W437 WeakPolarHBondContact CD2-O 3.28Å; Y432-V438 HydrophobicContact CD2-CG2 4.19Å; Y432-F456 HydrophobicContact CD1-CE1 4.32Å; Y432-F456 AromaticContact CD2-CE1 3.78Å; Y432-F456 HydrophobicContact CD2-CE1 3.78Å; Y432-F456 HydrophobicContact CD2-CZ 4.33Å; Y432-F456 HydrophobicContact CE2-CE1 4.44Å; Y432-F456 HydrophobicContact CG-CD1 4.47Å; Y432-F456 AromaticContact CG-CE1 3.72Å; Y432-F456 HydrophobicContact CG-CE1 3.72Å; Y432-L496 HydrophobicContact CE2-CD1 4.49Å; Y432-L506 HydrophobicContact CE1-CD1 4.39Å; Y432-L506 HydrophobicContact CE2-CD1 4.27Å; Y432-V512 HydrophobicContact CD1-CG1 3.79Å; Y432-V512 HydrophobicContact CE1-CG1 3.96Å; Y432-A514 HydrophobicContact CD1-CB 4.07Å; Y432-A514 HydrophobicContact CE1-CB 4.04Å; Y432-A514 CarbonylContact O-C 3.5Å; Y432-A514 VanDerWaalsContact O-CA 3.3Å; Y432-A514 WeakPolarHBondContact O-CA 3.33Å; Y432-V515 WeakPolarHBondContact O-CG1 3.34Å; Y432-V515 PolarHBondContact O-N 3.19Å
433	I	92.4	Very high	92.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-3.2	-176.1	59.6	168.5	0	0	0	113.3	A431 W437 L439 L493 V515 V517 L602 I631 T635	A431-I433 PolarHBondContact O-N 3.37Å; I433-W437 HydrophobicContact CD1-CB 4.01Å; I433-W437 HydrophobicContact CG1-CB 3.86Å; I433-W437 WeakPolarHBondContact CG1-O 3.4Å; I433-W437 PolarHBondContact N-O 3.47Å; I433-L439 HydrophobicContact CD1-CB 4.45Å; I433-L439 HydrophobicContact CG2-CB 4.04Å; I433-L493 HydrophobicContact CD1-CD2 3.89Å; I433-V515 HydrophobicContact CG2-CG1 4.26Å; I433-V517 HydrophobicContact CB-CG2 3.87Å; I433-V517 HydrophobicContact CD1-CG2 4.32Å; I433-V517 HydrophobicContact CG2-CG2 3.75Å; I433-L602 HydrophobicContact CG2-CD2 4Å; I433-I631 HydrophobicContact CD1-CG2 4.08Å; I433-T635 HydrophobicContact CD1-CG2 4.37Å
434	G	89.3	Confident	92.4	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.3	166.5	175.5	0	0	0	0	0	114.1	C436 W437	G434-C436 PolarHBondContact O-N 2.96Å; G434-C436 VanDerWaalsContact O-N 3.14Å; G434-W437 PolarHBondContact O-N 3.06Å; G434-W437 VanDerWaalsContact O-N 3.14Å
435	G	87.7	Confident	92.8	Very high	49 Å²	49	24.4 Å²	24.4	51%	0.505	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-114.7	-174.6	0	0	0	0	0	111.7	Y432	Y432-G435 PolarHBondContact OH-N 2.85Å; Y432-G435 PolarHBondContact OH-O 3.21Å; Y432-G435 VanDerWaalsContact OH-O 3.06Å
436	C	91.9	Very high	93.1	Very high	12 Å²	12	23.7 Å²	23.7	8%	0.081	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	28.2	179.8	-67.6	0	0	0	0	111.9	G434 Q495 L496 C505	G434-C436 PolarHBondContact O-N 2.96Å; G434-C436 VanDerWaalsContact O-N 3.14Å; C436-Q495 WeakPolarHBondContact O-CA 3.37Å; C436-L496 HydrophobicContact CB-CB 4.34Å; C436-L496 PolarHBondContact O-N 2.79Å; C436-C505 HydrophobicContact CB-CB 3.87Å; C436-C505 WeakPolarHBondContact CB-SG 3.42Å; C436-C505 WeakPolarHBondContact SG-CB 3.38Å; C436-C505 CovalentContact SG-SG 2.01Å; C436-C505 PolarHBondContact SG-SG 3.24Å
437	W	94.4	Very high	93.3	Very high	28 Å²	28	28.5 Å²	28.5	11%	0.106	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.3	-169	-63.2	103.8	0	0	0	112.7	Y432 I433 G434 L493 Q495 H634 T635	Y432-W437 VanDerWaalsContact CD2-O 3.31Å; Y432-W437 WeakPolarHBondContact CD2-O 3.28Å; I433-W437 HydrophobicContact CD1-CB 4.01Å; I433-W437 HydrophobicContact CG1-CB 3.86Å; I433-W437 WeakPolarHBondContact CG1-O 3.4Å; I433-W437 PolarHBondContact N-O 3.47Å; G434-W437 PolarHBondContact O-N 3.06Å; G434-W437 VanDerWaalsContact O-N 3.14Å; W437-L493 HydrophobicContact CE3-CB 4.08Å; W437-L493 HydrophobicContact CE3-CD2 4.22Å; W437-L493 HydrophobicContact CZ3-CB 4.09Å; W437-Q495 HydrophobicContact CE3-CB 4.03Å; W437-Q495 HydrophobicContact CE3-CG 4.32Å; W437-Q495 HydrophobicContact CH2-CB 4.02Å; W437-Q495 HydrophobicContact CH2-CG 3.95Å; W437-Q495 HydrophobicContact CZ2-CG 4.18Å; W437-Q495 HydrophobicContact CZ3-CB 3.66Å; W437-Q495 HydrophobicContact CZ3-CG 4.03Å; W437-H634 WeakPolarHBondContact CZ2-O 3.36Å; W437-T635 HydrophobicContact CB-CG2 4.07Å; W437-T635 HydrophobicContact CD2-CG2 3.54Å; W437-T635 HydrophobicContact CE3-CG2 4.01Å; W437-T635 HydrophobicContact CG-CG2 3.55Å; W437-T635 HydrophobicContact CZ2-CG2 4.46Å
438	V	95.9	Very high	93.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.5	172.4	166.8	0	0	0	0	108.4	V418 A431 Y432 V454 F456 V494 L496	V418-V438 HydrophobicContact CG2-CG1 3.57Å; V418-V438 HydrophobicContact CG2-CG2 4.41Å; A431-V438 WeakPolarHBondContact O-CA 3.44Å; Y432-V438 HydrophobicContact CD2-CG2 4.19Å; V438-V454 HydrophobicContact CG2-CG1 4.19Å; V438-F456 HydrophobicContact CG2-CE1 4.42Å; V438-F456 HydrophobicContact CG2-CZ 4.06Å; V438-V494 HydrophobicContact CB-CB 4.2Å; V438-V494 PolarHBondContact N-O 3.29Å; V438-V494 PolarHBondContact O-N 2.96Å; V438-L496 HydrophobicContact CG2-CD1 4.37Å; V438-L496 HydrophobicContact CG2-CD2 4.18Å; V438-L496 HydrophobicContact CG2-CG 4.46Å
439	L	96.9	Very high	93.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.3	175.7	-157.1	70.1	0	0	0	109.9	G430 A431 I433 I491 L493 L602 I605 V624 W630 I631	G430-L439 CarbonylContact C-O 3.45Å; G430-L439 VanDerWaalsContact CA-O 3.32Å; G430-L439 WeakPolarHBondContact CA-O 3.35Å; A431-L439 PolarHBondContact N-O 2.86Å; A431-L439 PolarHBondContact O-N 3.29Å; I433-L439 HydrophobicContact CD1-CB 4.45Å; I433-L439 HydrophobicContact CG2-CB 4.04Å; L439-I491 HydrophobicContact CD1-CD1 4.05Å; L439-I491 HydrophobicContact CD1-CG1 3.99Å; L439-I491 HydrophobicContact CD2-CD1 4.2Å; L439-I491 HydrophobicContact CG-CD1 4.38Å; L439-I491 HydrophobicContact CG-CG1 4.32Å; L439-L493 HydrophobicContact CD1-CD2 3.44Å; L439-L493 VanDerWaalsContact CD1-CD2 3.44Å; L439-L493 HydrophobicContact CD1-CG 3.85Å; L439-L602 HydrophobicContact CB-CD2 4.06Å; L439-L602 HydrophobicContact CD2-CD2 3.56Å; L439-L602 HydrophobicContact CG-CD2 4.39Å; L439-I605 HydrophobicContact CD2-CD1 3.72Å; L439-I605 HydrophobicContact CD2-CG1 4.49Å; L439-I605 HydrophobicContact CG-CD1 3.68Å; L439-V624 HydrophobicContact CD2-CG1 3.77Å; L439-V624 HydrophobicContact CD2-CG2 4.06Å; L439-W630 HydrophobicContact CD1-CZ3 4.48Å; L439-I631 HydrophobicContact CD1-CD1 4.16Å; L439-I631 HydrophobicContact CD1-CG1 4.17Å; L439-I631 HydrophobicContact CD2-CD1 3.87Å
440	T	97.3	Very high	94	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	179.2	179.1	-169.9	0	0	0	0	110.3	L420 G429 V445 A492 V494	L420-T440 HydrophobicContact CD2-CG2 3.9Å; G429-T440 PolarHBondContact O-OG1 3.07Å; T440-V445 HydrophobicContact CG2-CG1 3.81Å; T440-A492 HydrophobicContact CG2-CB 4.3Å; T440-A492 PolarHBondContact N-O 2.03Å; T440-A492 PolarHBondContact O-N 2.85Å; T440-V494 HydrophobicContact CG2-CG2 3.92Å
441	A	96.9	Very high	93.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.			trans	-77.4	147.2	175.5	0	0	0	0	0	111	H443 C444 I605	A441-H443 VanDerWaalsContact C-N 3.34Å; A441-H443 PolarHBondContact O-N 2.8Å; A441-C444 HydrophobicContact CB-CB 4.45Å; A441-C444 WeakPolarHBondContact O-CB 3.11Å; A441-C444 PolarHBondContact O-N 2.87Å; A441-I605 HydrophobicContact CB-CG2 3.98Å
442	A	97.1	Very high	93.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.9	-37.9	177.8	0	0	0	0	0	112.1	C444 V445 I478 Y482 D490 A492	A442-C444 PolarHBondContact O-N 2.98Å; A442-C444 VanDerWaalsContact O-N 3.13Å; A442-V445 WeakPolarHBondContact O-CG2 3.46Å; A442-V445 PolarHBondContact O-N 2.83Å; A442-I478 HydrophobicContact CB-CG2 3.84Å; A442-Y482 HydrophobicContact CB-CD1 3.78Å; A442-Y482 HydrophobicContact CB-CD2 3.63Å; A442-Y482 HydrophobicContact CB-CE1 3.95Å; A442-Y482 HydrophobicContact CB-CE2 3.82Å; A442-Y482 HydrophobicContact CB-CG 3.61Å; A442-D490 WeakPolarHBondContact CA-OD1 3.41Å; A442-D490 WeakPolarHBondContact CB-OD1 2.82Å; A442-D490 PolarHBondContact N-OD1 3.09Å; A442-A492 HydrophobicContact CB-CB 4.47Å
443	H	94.3	Very high	93.9	Very high	56 Å²	56	37.7 Å²	37.7	26%	0.259	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65.9	-14.5	179	76.5	-97.1	0	0	0	113.9	A441 Y482 Y487 D490 S587 S607	A441-H443 VanDerWaalsContact C-N 3.34Å; A441-H443 PolarHBondContact O-N 2.8Å; H443-Y482 VanDerWaalsContact CB-OH 3.24Å; H443-Y482 WeakPolarHBondContact CB-OH 3.27Å; H443-Y487 HydrophobicContact CB-CE1 4.11Å; H443-Y487 AromaticContact CG-CE1 4Å; H443-Y487 AromaticContact ND1-CE1 3.98Å; H443-D490 IonicContact CE1-OD2 3.06Å; H443-D490 PolarHBondContact CE1-OD2 3.12Å; H443-D490 IonicContact CG-OD1 3.16Å; H443-D490 IonicContact CG-OD2 3.92Å; H443-D490 PolarHBondContact N-OD1 3.12Å; H443-D490 VanDerWaalsContact ND1-CG 3.33Å; H443-D490 IonicContact ND1-OD1 2.68Å; H443-D490 PolarHBondContact ND1-OD1 2.9Å; H443-D490 IonicContact ND1-OD2 2.68Å; H443-D490 PolarHBondContact ND1-OD2 3.23Å; H443-S587 WeakPolarHBondContact NE2-CB 3.34Å; H443-S587 PolarHBondContact NE2-OG 3.33Å; H443-S587 VanDerWaalsContact NE2-OG 3.09Å; H443-S607 PolarHBondContact CE1-O 3.4Å
444	C	94.3	Very high	94.1	Very high	14 Å²	14	37.5 Å²	37.5	10%	0.095	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-85.1	-13.6	178.3	-78.5	0	0	0	0	114.1	C428 A441 A442	C428-C444 HydrophobicContact CB-CB 3.49Å; C428-C444 VanDerWaalsContact CB-CB 3.49Å; C428-C444 WeakPolarHBondContact CB-SG 3.17Å; C428-C444 VanDerWaalsContact SG-CA 3.58Å; C428-C444 WeakPolarHBondContact SG-CB 3.39Å; C428-C444 CovalentContact SG-SG 2.03Å; C428-C444 PolarHBondContact SG-SG 2.91Å; A441-C444 HydrophobicContact CB-CB 4.45Å; A441-C444 WeakPolarHBondContact O-CB 3.11Å; A441-C444 PolarHBondContact O-N 2.87Å; A442-C444 PolarHBondContact O-N 2.98Å; A442-C444 VanDerWaalsContact O-N 3.13Å
445	V	95.1	Very high	94.4	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.048	22%	0.216	C	C	.	.			trans	-127.7	160.9	-171.9	-64.3	0	0	0	0	111.9	L420 T440 A442 F452 I476 I478 A492 V494	L420-V445 HydrophobicContact CD2-CG1 3.7Å; T440-V445 HydrophobicContact CG2-CG1 3.81Å; A442-V445 WeakPolarHBondContact O-CG2 3.46Å; A442-V445 PolarHBondContact O-N 2.83Å; V445-F452 HydrophobicContact CB-CZ 4.38Å; V445-F452 HydrophobicContact CG1-CE1 4.21Å; V445-I476 HydrophobicContact CB-CD1 4.5Å; V445-I476 HydrophobicContact CB-CG2 3.93Å; V445-I476 HydrophobicContact CG2-CG2 3.73Å; V445-I478 HydrophobicContact CG2-CD1 4.14Å; V445-I478 HydrophobicContact CG2-CG1 3.89Å; V445-A492 HydrophobicContact CG2-CB 3.52Å; V445-V494 HydrophobicContact CG1-CG2 4.24Å
446	R	92.3	Very high	94.7	Very high	162 Å²	162	36.2 Å²	36.2	61%	0.611	19%	0.192	S	C	*	.			trans	-132.7	157.5	175.1	-64.4	-172.1	-177.7	163.8	3.7	109	N448 F452 I476	R446-N448 PolarHBondContact O-N 3.41Å; R446-F452 HydrophobicContact CB-CE2 4.47Å; R446-I476 VanDerWaalsContact O-CD1 3.28Å; R446-I476 WeakPolarHBondContact O-CD1 3.46Å
447	P	90.3	Very high	94.7	Very high	116 Å²	116	36.1 Å²	36.1	75%	0.753	19%	0.191	S	C	*	.	S	Bend	trans	-73.7	57.1	177.8	32.7	-37	0	0	0	111.5
448	N	93.7	Very high	94.6	Very high	78 Å²	78	35.1 Å²	35.1	42%	0.417	19%	0.188	S	C	.	.			trans	-143.1	72.7	179.4	-175	20.3	0	0	0	109.9	R446 S450 A451 F452	R446-N448 PolarHBondContact O-N 3.41Å; N448-S450 VanDerWaalsContact C-N 3.28Å; N448-S450 PolarHBondContact O-N 2.82Å; N448-S450 PolarHBondContact OD1-OG 3.41Å; N448-A451 PolarHBondContact O-N 3.49Å; N448-F452 VanDerWaalsContact O-CD2 3.31Å; N448-F452 WeakPolarHBondContact O-CD2 3.04Å
449	P	93.3	Very high	94.3	Very high	37 Å²	37	37.4 Å²	37.4	24%	0.24	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.3	-33.4	-169.1	23	-33.6	0	0	0	113.7	A451 F452 V473 I476	P449-A451 PolarHBondContact O-N 2.93Å; P449-A451 VanDerWaalsContact O-N 3.13Å; P449-F452 PolarHBondContact O-N 3.38Å; P449-V473 HydrophobicContact CB-CB 4.39Å; P449-V473 HydrophobicContact CB-CG1 3.79Å; P449-I476 HydrophobicContact CB-CD1 4.38Å; P449-I476 HydrophobicContact CB-CG1 4.32Å
450	S	93.9	Very high	94	Very high	103 Å²	103	41.3 Å²	41.3	72%	0.72	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-64.2	-19.1	-179.2	60.3	0	0	0	0	114.3	N448 F452	N448-S450 VanDerWaalsContact C-N 3.28Å; N448-S450 PolarHBondContact O-N 2.82Å; N448-S450 PolarHBondContact OD1-OG 3.41Å; S450-F452 VanDerWaalsContact C-N 3.32Å
451	A	93.9	Very high	93.4	Very high	13 Å²	13	42.1 Å²	42.1	11%	0.107	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-80.2	-14.3	174.5	0	0	0	0	0	113.2	E422 N423 N448 P449	E422-A451 WeakPolarHBondContact CA-O 3.27Å; E422-A451 HydrophobicContact CG-CB 4.42Å; N423-A451 PolarHBondContact N-O 3.19Å; N423-A451 VanDerWaalsContact N-O 3.14Å; N448-A451 PolarHBondContact O-N 3.49Å; P449-A451 PolarHBondContact O-N 2.93Å; P449-A451 VanDerWaalsContact O-N 3.13Å
452	F	95.8	Very high	92.8	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.7	-172.8	-71	-92.1	0	0	0	112.6	E421 E422 V445 R446 N448 P449 S450 V473 I476	E421-F452 CarbonylContact O-C 3.58Å; E421-F452 WeakPolarHBondContact O-CA 3.35Å; E422-F452 HydrophobicContact CB-CD1 4.1Å; E422-F452 HydrophobicContact CB-CE1 3.73Å; E422-F452 HydrophobicContact CB-CZ 4.1Å; E422-F452 HydrophobicContact CG-CD1 4.48Å; E422-F452 HydrophobicContact CG-CE1 3.98Å; E422-F452 HydrophobicContact CG-CE2 4.19Å; E422-F452 HydrophobicContact CG-CZ 3.81Å; V445-F452 HydrophobicContact CB-CZ 4.38Å; V445-F452 HydrophobicContact CG1-CE1 4.21Å; R446-F452 HydrophobicContact CB-CE2 4.47Å; N448-F452 VanDerWaalsContact O-CD2 3.31Å; N448-F452 WeakPolarHBondContact O-CD2 3.04Å; P449-F452 PolarHBondContact O-N 3.38Å; S450-F452 VanDerWaalsContact C-N 3.32Å; F452-V473 HydrophobicContact CB-CB 4.14Å; F452-V473 HydrophobicContact CB-CG2 3.75Å; F452-I476 HydrophobicContact CB-CD1 4.5Å; F452-I476 HydrophobicContact CD2-CD1 3.57Å; F452-I476 HydrophobicContact CE2-CD1 3.96Å; F452-I476 HydrophobicContact CG-CD1 4.06Å
453	K	95.6	Very high	92.3	Very high	98 Å²	98	58.5 Å²	58.5	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.3	165.9	-62.7	-178.9	-178.9	-175	0	109.1	E421 I470	E421-K453 HydrophobicContact CB-CB 4.46Å; E421-K453 PolarHBondContact N-O 3.49Å; E421-K453 PolarHBondContact O-N 2.88Å; K453-I470 HydrophobicContact CB-CG2 4.23Å; K453-I470 HydrophobicContact CD-CG2 4.16Å
454	V	96.4	Very high	91.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128	174.9	-176	0	0	0	0	109	V418 V438 F456 I470 V471 V473 V494 L496	V418-V454 HydrophobicContact CB-CG1 3.72Å; V418-V454 HydrophobicContact CG1-CG1 4.04Å; V418-V454 HydrophobicContact CG2-CG1 3.98Å; V438-V454 HydrophobicContact CG2-CG1 4.19Å; V454-F456 HydrophobicContact CB-CE2 3.97Å; V454-F456 HydrophobicContact CB-CZ 4.44Å; V454-F456 HydrophobicContact CG1-CD2 4.13Å; V454-F456 HydrophobicContact CG1-CE1 4.47Å; V454-F456 HydrophobicContact CG1-CE2 3.5Å; V454-F456 HydrophobicContact CG1-CZ 3.69Å; V454-I470 WeakPolarHBondContact O-CA 3.17Å; V454-V471 PolarHBondContact N-O 3.36Å; V454-V471 PolarHBondContact O-N 2.83Å; V454-V473 HydrophobicContact CG2-CG2 3.9Å; V454-V494 HydrophobicContact CG2-CG1 4.08Å; V454-L496 HydrophobicContact CB-CD2 3.91Å; V454-L496 HydrophobicContact CG1-CD2 4.44Å; V454-L496 HydrophobicContact CG2-CD2 3.69Å
455	K	95.5	Very high	91.6	Very high	28 Å²	28	59.8 Å²	59.8	12%	0.122	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.1	174.2	-56	-171.4	-177.8	172.9	0	110.6	V418 A419 E421 I426 L458 T468 D469 I470	V418-K455 WeakPolarHBondContact CA-O 3.49Å; A419-K455 HydrophobicContact CB-CB 4.34Å; A419-K455 PolarHBondContact N-O 3.4Å; A419-K455 PolarHBondContact O-N 2.87Å; E421-K455 IonicContact OE1-NZ 2.62Å; E421-K455 WeakPolarHBondContact OE2-CE 3.49Å; E421-K455 IonicContact OE2-NZ 3.44Å; E421-K455 PolarHBondContact OE2-NZ 2.78Å; I426-K455 HydrophobicContact CD1-CD 4.35Å; K455-L458 HydrophobicContact CD-CD2 4.33Å; K455-T468 HydrophobicContact CB-CG2 4.39Å; K455-D469 CarbonylContact C-O 3.58Å; K455-D469 WeakPolarHBondContact CA-O 2.99Å; K455-I470 HydrophobicContact CD-CD1 4.46Å; K455-I470 HydrophobicContact CD-CG1 4.44Å; K455-I470 HydrophobicContact CG-CG1 4.13Å; K455-I470 HydrophobicContact CG-CG2 4.35Å
456	F	94.5	Very high	91.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	153.8	178.4	-64	-98.1	0	0	0	110.8	V418 Y432 V438 V454 L458 T468 D469 V471 L496 L506 V512	V418-F456 HydrophobicContact CG1-CD1 3.46Å; V418-F456 VanDerWaalsContact CG1-CD1 3.46Å; V418-F456 HydrophobicContact CG1-CE1 3.47Å; V418-F456 VanDerWaalsContact CG1-CE1 3.47Å; V418-F456 HydrophobicContact CG1-CG 4.13Å; V418-F456 HydrophobicContact CG1-CZ 4.11Å; Y432-F456 HydrophobicContact CD1-CE1 4.32Å; Y432-F456 AromaticContact CD2-CE1 3.78Å; Y432-F456 HydrophobicContact CD2-CE1 3.78Å; Y432-F456 HydrophobicContact CD2-CZ 4.33Å; Y432-F456 HydrophobicContact CE2-CE1 4.44Å; Y432-F456 HydrophobicContact CG-CD1 4.47Å; Y432-F456 AromaticContact CG-CE1 3.72Å; Y432-F456 HydrophobicContact CG-CE1 3.72Å; V438-F456 HydrophobicContact CG2-CE1 4.42Å; V438-F456 HydrophobicContact CG2-CZ 4.06Å; V454-F456 HydrophobicContact CB-CE2 3.97Å; V454-F456 HydrophobicContact CB-CZ 4.44Å; V454-F456 HydrophobicContact CG1-CD2 4.13Å; V454-F456 HydrophobicContact CG1-CE1 4.47Å; V454-F456 HydrophobicContact CG1-CE2 3.5Å; V454-F456 HydrophobicContact CG1-CZ 3.69Å; F456-L458 PolarHBondContact O-N 2.79Å; F456-T468 VanDerWaalsContact O-CA 3.29Å; F456-T468 WeakPolarHBondContact O-CA 3.3Å; F456-T468 WeakPolarHBondContact O-CG2 3.23Å; F456-D469 HydrophobicContact CB-CB 4.25Å; F456-D469 HydrophobicContact CD2-CB 4.4Å; F456-D469 PolarHBondContact N-O 3.11Å; F456-D469 PolarHBondContact O-N 3.01Å; F456-V471 HydrophobicContact CD2-CG2 4.01Å; F456-V471 HydrophobicContact CE2-CB 4.1Å; F456-V471 HydrophobicContact CE2-CG2 3.69Å; F456-L496 HydrophobicContact CE2-CD1 4.21Å; F456-L496 HydrophobicContact CE2-CD2 4.41Å; F456-L496 HydrophobicContact CZ-CD1 3.65Å; F456-L496 HydrophobicContact CZ-CD2 4.27Å; F456-L506 HydrophobicContact CD1-CD1 4.24Å; F456-L506 HydrophobicContact CD2-CD2 4.01Å; F456-L506 HydrophobicContact CE1-CD1 3.89Å; F456-L506 HydrophobicContact CE2-CD1 4.28Å; F456-L506 HydrophobicContact CE2-CD2 4.1Å; F456-L506 HydrophobicContact CG-CD2 4.44Å; F456-L506 HydrophobicContact CZ-CD1 3.94Å; F456-V512 HydrophobicContact CB-CG2 3.7Å; F456-V512 HydrophobicContact CD1-CG1 3.66Å; F456-V512 HydrophobicContact CD1-CG2 4.38Å; F456-V512 HydrophobicContact CE1-CG1 4.3Å; F456-V512 HydrophobicContact CG-CG1 4.39Å; F456-V512 HydrophobicContact CG-CG2 4.37Å
457	S	92.1	Very high	90.9	Very high	10 Å²	10	58.7 Å²	58.7	7%	0.07	33%	0.327	C	S	.	.	S	Bend	trans	46.3	39.4	179.3	179.1	0	0	0	0	112.9	T467 T468	S457-T467 WeakPolarHBondContact CB-O 3.23Å; S457-T467 PolarHBondContact OG-OG1 3.23Å; S457-T467 VanDerWaalsContact OG-OG1 3.04Å; S457-T468 PolarHBondContact O-OG1 3.3Å; S457-T468 VanDerWaalsContact O-OG1 3.12Å
458	L	91.8	Very high	91	Very high	8 Å²	8	54 Å²	54	4%	0.042	30%	0.297	C	S	.	.			trans	-82.2	130.3	172.4	-169.6	69.6	0	0	0	107.8	A419 I426 K455 F456 K460 T468 W535	A419-L458 HydrophobicContact CB-CD2 3.85Å; I426-L458 HydrophobicContact CD1-CD2 3.63Å; K455-L458 HydrophobicContact CD-CD2 4.33Å; F456-L458 PolarHBondContact O-N 2.79Å; L458-K460 WeakPolarHBondContact CD1-O 3.39Å; L458-T468 HydrophobicContact CD1-CG2 4.03Å; L458-W535 HydrophobicContact CB-CH2 4.41Å; L458-W535 HydrophobicContact CB-CZ2 4.09Å; L458-W535 HydrophobicContact CD2-CZ2 4.32Å; L458-W535 HydrophobicContact CG-CZ2 4.33Å; L458-W535 VanDerWaalsContact O-CZ2 3.29Å; L458-W535 WeakPolarHBondContact O-CZ2 3.44Å
459	W	89.9	Confident	91	Very high	48 Å²	48	52.4 Å²	52.4	18%	0.182	29%	0.288	C	S	.	.			trans	-109.2	-51	173.9	-179.8	61.9	0	0	0	110.8	A409 P411 Q465 W535 V546 L547	A409-W459 PolarHBondContact O-NE1 2.88Å; P411-W459 HydrophobicContact CG-CD2 4.18Å; P411-W459 HydrophobicContact CG-CE3 4.29Å; W459-Q465 HydrophobicContact CB-CG 4.48Å; W459-W535 PolarHBondContact O-NE1 2.9Å; W459-V546 HydrophobicContact CH2-CG1 4.4Å; W459-V546 HydrophobicContact CZ2-CB 4.34Å; W459-V546 HydrophobicContact CZ2-CG1 4.02Å; W459-V546 CarbonylContact O-C 3.55Å; W459-V546 WeakPolarHBondContact O-CA 3.46Å; W459-L547 PolarHBondContact O-N 3.47Å
460	K	89.3	Confident	91.1	Very high	82 Å²	82	54.7 Å²	54.7	36%	0.357	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-93	122.8	175.2	-59	-176.4	-179.3	178.2	0	110.6	L458 F462 R463 Q545 V546	L458-K460 WeakPolarHBondContact CD1-O 3.39Å; K460-F462 PolarHBondContact O-N 2.89Å; K460-F462 VanDerWaalsContact O-N 3.08Å; K460-R463 HydrophobicContact CB-CB 4.23Å; K460-R463 PolarHBondContact O-N 3.03Å; K460-R463 VanDerWaalsContact O-N 3.15Å; K460-Q545 WeakPolarHBondContact CA-O 3.21Å; K460-V546 HydrophobicContact CG-CG1 4.37Å
461	K	84.6	Confident	91.1	Very high	17 Å²	17	50.2 Å²	50.2	7%	0.074	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.3	-174.4	-172.4	173	-175.8	166.1	0	113.9	I426 W535 Q545	I426-K461 HydrophobicContact CD1-CG 4.47Å; I426-K461 WeakPolarHBondContact CD1-O 3.38Å; I426-K461 WeakPolarHBondContact O-CE 3.4Å; I426-K461 PolarHBondContact O-NZ 3.39Å; K461-W535 HydrophobicContact CB-CG 4.44Å; K461-W535 HydrophobicContact CD-CB 4.1Å; K461-Q545 PolarHBondContact N-O 2.88Å
462	F	84.9	Confident	91.2	Very high	170 Å²	170	52.3 Å²	52.3	75%	0.746	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	2.6	-173.8	-57.9	-70.3	0	0	0	114.7	K460	K460-F462 PolarHBondContact O-N 2.89Å; K460-F462 VanDerWaalsContact O-N 3.08Å
463	R	86.8	Confident	91.3	Very high	175 Å²	175	52.6 Å²	52.6	66%	0.66	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-140.2	118.6	-176	-178.5	174.2	177.4	178.1	-0.9	109.4	K460 Q465	K460-R463 HydrophobicContact CB-CB 4.23Å; K460-R463 PolarHBondContact O-N 3.03Å; K460-R463 VanDerWaalsContact O-N 3.15Å; R463-Q465 PolarHBondContact O-NE2 3.26Å
464	A	86.8	Confident	91.3	Very high	55 Å²	55	51.5 Å²	51.5	46%	0.455	28%	0.282	S	S	.	.			trans	-65.4	140	169.9	0	0	0	0	0	110.3	T468	A464-T468 HydrophobicContact CB-CG2 4.03Å
465	Q	87.6	Confident	91.3	Very high	42 Å²	42	53.4 Å²	53.4	20%	0.196	29%	0.292	C	S	.	.			trans	-91.9	168	171.6	-69.6	69.7	49.3	0	0	109.7	W459 R463 T467 T468	W459-Q465 HydrophobicContact CB-CG 4.48Å; R463-Q465 PolarHBondContact O-NE2 3.26Å; Q465-T467 PolarHBondContact O-N 3.24Å; Q465-T468 PolarHBondContact N-OG1 2.84Å; Q465-T468 VanDerWaalsContact O-CB 3.32Å; Q465-T468 WeakPolarHBondContact O-CB 3.44Å; Q465-T468 PolarHBondContact O-N 2.88Å; Q465-T468 PolarHBondContact O-OG1 3.01Å; Q465-T468 PolarHBondContact OE1-OG1 3.32Å
466	G	84.9	Confident	91.3	Very high	93 Å²	93	52.7 Å²	52.7	96%	0.959	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.4	174.6	0	0	0	0	0	113.9
467	T	87	Confident	91.5	Very high	53 Å²	53	58 Å²	58	33%	0.325	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.3	175.2	56	0	0	0	0	113.4	T412 S457 Q465 D469 N509 A511	T412-T467 HydrophobicContact CG2-CG2 4.34Å; S457-T467 WeakPolarHBondContact CB-O 3.23Å; S457-T467 PolarHBondContact OG-OG1 3.23Å; S457-T467 VanDerWaalsContact OG-OG1 3.04Å; Q465-T467 PolarHBondContact O-N 3.24Å; T467-D469 PolarHBondContact O-N 3.43Å; T467-N509 PolarHBondContact O-ND2 3.09Å; T467-A511 HydrophobicContact CG2-CB 4.45Å
468	T	92.3	Very high	91.7	Very high	18 Å²	18	60.1 Å²	60.1	11%	0.11	32%	0.32	C	S	.	.			trans	-84.3	114.8	-174.5	-59.2	0	0	0	0	111.4	K455 F456 S457 L458 A464 Q465 I470	K455-T468 HydrophobicContact CB-CG2 4.39Å; F456-T468 VanDerWaalsContact O-CA 3.29Å; F456-T468 WeakPolarHBondContact O-CA 3.3Å; F456-T468 WeakPolarHBondContact O-CG2 3.23Å; S457-T468 PolarHBondContact O-OG1 3.3Å; S457-T468 VanDerWaalsContact O-OG1 3.12Å; L458-T468 HydrophobicContact CD1-CG2 4.03Å; A464-T468 HydrophobicContact CB-CG2 4.03Å; Q465-T468 PolarHBondContact N-OG1 2.84Å; Q465-T468 VanDerWaalsContact O-CB 3.32Å; Q465-T468 WeakPolarHBondContact O-CB 3.44Å; Q465-T468 PolarHBondContact O-N 2.88Å; Q465-T468 PolarHBondContact O-OG1 3.01Å; Q465-T468 PolarHBondContact OE1-OG1 3.32Å; T468-I470 HydrophobicContact CG2-CG1 4.32Å
469	D	93.7	Very high	92	Very high	44 Å²	44	60.6 Å²	60.6	24%	0.235	32%	0.322	C	S	.	.			trans	-89.8	141.6	169.2	-59.7	-28.1	0	0	0	110.5	K455 F456 T467 L506 N509	K455-D469 CarbonylContact C-O 3.58Å; K455-D469 WeakPolarHBondContact CA-O 2.99Å; F456-D469 HydrophobicContact CB-CB 4.25Å; F456-D469 HydrophobicContact CD2-CB 4.4Å; F456-D469 PolarHBondContact N-O 3.11Å; F456-D469 PolarHBondContact O-N 3.01Å; T467-D469 PolarHBondContact O-N 3.43Å; D469-L506 HydrophobicContact CB-CD2 3.89Å; D469-N509 VanDerWaalsContact CG-ND2 3.27Å; D469-N509 PolarHBondContact OD1-ND2 2.78Å; D469-N509 VanDerWaalsContact OD2-CB 3.25Å; D469-N509 WeakPolarHBondContact OD2-CB 3.31Å; D469-N509 PolarHBondContact OD2-ND2 3Å
470	I	94.9	Very high	92.3	Very high	85 Å²	85	63.2 Å²	63.2	44%	0.436	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.4	176.9	-53.1	-179	0	0	0	107.8	K453 V454 K455 T468	K453-I470 HydrophobicContact CB-CG2 4.23Å; K453-I470 HydrophobicContact CD-CG2 4.16Å; V454-I470 WeakPolarHBondContact O-CA 3.17Å; K455-I470 HydrophobicContact CD-CD1 4.46Å; K455-I470 HydrophobicContact CD-CG1 4.44Å; K455-I470 HydrophobicContact CG-CG1 4.13Å; K455-I470 HydrophobicContact CG-CG2 4.35Å; T468-I470 HydrophobicContact CG2-CG1 4.32Å
471	V	95.6	Very high	92.6	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.6	-175.1	-169.1	0	0	0	0	109.8	V454 F456 L496 L506	V454-V471 PolarHBondContact N-O 3.36Å; V454-V471 PolarHBondContact O-N 2.83Å; F456-V471 HydrophobicContact CD2-CG2 4.01Å; F456-V471 HydrophobicContact CE2-CB 4.1Å; F456-V471 HydrophobicContact CE2-CG2 3.69Å; V471-L496 HydrophobicContact CB-CD2 4.32Å; V471-L496 HydrophobicContact CG1-CB 3.92Å; V471-L496 HydrophobicContact CG1-CD2 4.21Å; V471-L496 HydrophobicContact CG1-CG 4.45Å; V471-L506 HydrophobicContact CG2-CD2 3.38Å; V471-L506 HydrophobicContact CG2-CG 4.2Å
472	P	96	Very high	93.2	Very high	56 Å²	56	66.2 Å²	66.2	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	160.1	172.3	-17.3	31.4	0	0	0	112.4	E497	P472-E497 HydrophobicContact CB-CB 4.24Å; P472-E497 VanDerWaalsContact CB-OE2 3.24Å; P472-E497 WeakPolarHBondContact CB-OE2 3.28Å; P472-E497 WeakPolarHBondContact CG-OE2 3.24Å; P472-E497 PolarHBondContact O-N 3.03Å
473	V	96.6	Very high	93.7	Very high	12 Å²	12	60.8 Å²	60.8	7%	0.073	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.9	178.2	176.9	0	0	0	0	109.8	P449 F452 V454 D475 I476 V494	P449-V473 HydrophobicContact CB-CB 4.39Å; P449-V473 HydrophobicContact CB-CG1 3.79Å; F452-V473 HydrophobicContact CB-CB 4.14Å; F452-V473 HydrophobicContact CB-CG2 3.75Å; V454-V473 HydrophobicContact CG2-CG2 3.9Å; V473-D475 WeakPolarHBondContact CG1-O 3.24Å; V473-I476 HydrophobicContact CG1-CD1 4.21Å; V473-I476 HydrophobicContact CG1-CG1 3.73Å; V473-V494 HydrophobicContact CB-CG1 4.21Å; V473-V494 HydrophobicContact CG1-CG1 3.61Å; V473-V494 HydrophobicContact CG2-CG1 3.51Å
474	T	95.8	Very high	94	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.46	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-40.1	174	-60.4	0	0	0	0	111.7	Q495 E497	T474-Q495 PolarHBondContact N-O 2.9Å; T474-E497 WeakPolarHBondContact OG1-CA 3.49Å; T474-E497 WeakPolarHBondContact OG1-CB 2.96Å; T474-E497 PolarHBondContact OG1-N 3.26Å
475	D	96.4	Very high	94.2	Very high	40 Å²	40	57.9 Å²	57.9	21%	0.214	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.3	-173.5	-163.2	10	0	0	0	112.1	V473 R477 Q495	V473-D475 WeakPolarHBondContact CG1-O 3.24Å; D475-R477 IonicContact OD1-NE 3.86Å; D475-R477 IonicContact OD2-CZ 2.63Å; D475-R477 IonicContact OD2-NE 3.17Å; D475-R477 PolarHBondContact OD2-NE 3.29Å; D475-R477 IonicContact OD2-NH2 2.94Å; D475-R477 PolarHBondContact OD2-NH2 3.06Å; D475-Q495 HydrophobicContact CB-CB 4Å; D475-Q495 PolarHBondContact N-O 3.17Å; D475-Q495 PolarHBondContact O-N 3.49Å
476	I	97.1	Very high	94.4	Very high	14 Å²	14	58 Å²	58	7%	0.072	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.7	179.3	-61.9	173.5	0	0	0	108.6	V445 R446 P449 F452 V473 I478 L493	V445-I476 HydrophobicContact CB-CD1 4.5Å; V445-I476 HydrophobicContact CB-CG2 3.93Å; V445-I476 HydrophobicContact CG2-CG2 3.73Å; R446-I476 VanDerWaalsContact O-CD1 3.28Å; R446-I476 WeakPolarHBondContact O-CD1 3.46Å; P449-I476 HydrophobicContact CB-CD1 4.38Å; P449-I476 HydrophobicContact CB-CG1 4.32Å; F452-I476 HydrophobicContact CB-CD1 4.5Å; F452-I476 HydrophobicContact CD2-CD1 3.57Å; F452-I476 HydrophobicContact CE2-CD1 3.96Å; F452-I476 HydrophobicContact CG-CD1 4.06Å; V473-I476 HydrophobicContact CG1-CD1 4.21Å; V473-I476 HydrophobicContact CG1-CG1 3.73Å; I476-I478 HydrophobicContact CG2-CG1 4.16Å; I476-L493 WeakPolarHBondContact CA-O 2.84Å
477	R	96.7	Very high	94.8	Very high	110 Å²	110	57.2 Å²	57.2	42%	0.415	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	99.6	179.3	-55.4	-64.7	178.7	138	-5.8	109.7	D475 A492 L493 W630	D475-R477 IonicContact OD1-NE 3.86Å; D475-R477 IonicContact OD2-CZ 2.63Å; D475-R477 IonicContact OD2-NE 3.17Å; D475-R477 PolarHBondContact OD2-NE 3.29Å; D475-R477 IonicContact OD2-NH2 2.94Å; D475-R477 PolarHBondContact OD2-NH2 3.06Å; R477-A492 CarbonylContact O-C 3.59Å; R477-A492 VanDerWaalsContact O-CA 3.3Å; R477-A492 WeakPolarHBondContact O-CA 3.39Å; R477-L493 HydrophobicContact CB-CB 4.17Å; R477-L493 PolarHBondContact N-O 2.84Å; R477-L493 PolarHBondContact O-N 2.93Å; R477-W630 WeakPolarHBondContact O-CH2 3.29Å
478	I	97.4	Very high	95.2	Very high	55 Å²	55	57.4 Å²	57.4	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.6	172.4	-60.5	172.8	0	0	0	108.6	A442 V445 I476 Y482 A492	A442-I478 HydrophobicContact CB-CG2 3.84Å; V445-I478 HydrophobicContact CG2-CD1 4.14Å; V445-I478 HydrophobicContact CG2-CG1 3.89Å; I476-I478 HydrophobicContact CG2-CG1 4.16Å; I478-Y482 HydrophobicContact CG2-CD1 4.07Å; I478-Y482 HydrophobicContact CG2-CG 4.3Å; I478-A492 HydrophobicContact CG1-CB 4.23Å
479	H	97.1	Very high	95.4	Very high	18 Å²	18	58 Å²	58	8%	0.083	32%	0.322	C	S	.	.			trans	-57.5	130.9	176.4	-167.5	-84.5	0	0	0	111	N481 Y482 N489 I491 Y627 W630	H479-N481 PolarHBondContact ND1-N 3.44Å; H479-N481 PolarHBondContact O-N 3.25Å; H479-Y482 VanDerWaalsContact O-CB 3.25Å; H479-Y482 WeakPolarHBondContact O-CB 3.09Å; H479-Y482 PolarHBondContact O-N 2.93Å; H479-N489 HydrophobicContact CB-CB 4.25Å; H479-N489 WeakPolarHBondContact ND1-CB 3.44Å; H479-I491 HydrophobicContact CB-CG2 3.7Å; H479-I491 WeakPolarHBondContact CB-O 3.36Å; H479-I491 PolarHBondContact N-O 2.93Å; H479-I491 VanDerWaalsContact N-O 3.14Å; H479-Y627 AromaticContact CD2-CD1 3.87Å; H479-Y627 AromaticContact NE2-CD1 3.86Å; H479-W630 HydrophobicContact CB-CZ2 4.2Å; H479-W630 AromaticContact CD2-CD1 3.58Å; H479-W630 AromaticContact CD2-CD2 3.63Å; H479-W630 AromaticContact CD2-CE2 3.67Å; H479-W630 AromaticContact CD2-CG 3.61Å; H479-W630 AromaticContact CD2-NE1 3.61Å; H479-W630 AromaticContact NE2-CD1 3.85Å; H479-W630 AromaticContact NE2-CG 3.98Å
480	P	96.1	Very high	95.5	Very high	103 Å²	103	55.9 Å²	55.9	67%	0.669	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.8	-171	23.4	-34.6	0	0	0	113.6	Y482	P480-Y482 VanDerWaalsContact C-N 3.35Å
481	N	96.4	Very high	95.7	Very high	107 Å²	107	51.9 Å²	51.9	57%	0.572	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	18.3	179	-58.4	-22	0	0	0	112.9	H479 V483 N489	H479-N481 PolarHBondContact ND1-N 3.44Å; H479-N481 PolarHBondContact O-N 3.25Å; N481-V483 PolarHBondContact O-N 3.48Å; N481-N489 WeakPolarHBondContact CB-ND2 3.38Å; N481-N489 PolarHBondContact O-ND2 3.22Å
482	Y	96.8	Very high	95.8	Very high	55 Å²	55	51.4 Å²	51.4	22%	0.216	29%	0.287	C	S	.	.			trans	-65	128.6	177.7	171.2	-118.5	0	0	0	111.5	A442 H443 I478 H479 P480 A484 E488 D490	A442-Y482 HydrophobicContact CB-CD1 3.78Å; A442-Y482 HydrophobicContact CB-CD2 3.63Å; A442-Y482 HydrophobicContact CB-CE1 3.95Å; A442-Y482 HydrophobicContact CB-CE2 3.82Å; A442-Y482 HydrophobicContact CB-CG 3.61Å; H443-Y482 VanDerWaalsContact CB-OH 3.24Å; H443-Y482 WeakPolarHBondContact CB-OH 3.27Å; I478-Y482 HydrophobicContact CG2-CD1 4.07Å; I478-Y482 HydrophobicContact CG2-CG 4.3Å; H479-Y482 VanDerWaalsContact O-CB 3.25Å; H479-Y482 WeakPolarHBondContact O-CB 3.09Å; H479-Y482 PolarHBondContact O-N 2.93Å; P480-Y482 VanDerWaalsContact C-N 3.35Å; Y482-A484 HydrophobicContact CE1-CB 4.1Å; Y482-E488 WeakPolarHBondContact CA-O 2.99Å; Y482-E488 VanDerWaalsContact CD2-O 3.3Å; Y482-E488 WeakPolarHBondContact CD2-O 3.46Å; Y482-D490 HydrophobicContact CD2-CB 4.18Å; Y482-D490 HydrophobicContact CE2-CB 3.87Å
483	V	95.6	Very high	95.8	Very high	57 Å²	57	48.7 Å²	48.7	35%	0.345	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-119.4	108.5	179	-175.9	0	0	0	0	110	N481 S485 T486 Y487 E488	N481-V483 PolarHBondContact O-N 3.48Å; V483-S485 VanDerWaalsContact C-N 3.28Å; V483-S485 WeakPolarHBondContact CG1-OG 3.33Å; V483-S485 PolarHBondContact O-N 2.57Å; V483-T486 WeakPolarHBondContact CB-OG1 3.41Å; V483-T486 WeakPolarHBondContact CG1-OG1 3.06Å; V483-T486 PolarHBondContact O-N 3.07Å; V483-Y487 WeakPolarHBondContact O-CA 3.48Å; V483-Y487 PolarHBondContact O-N 3.14Å; V483-E488 HydrophobicContact CB-CB 4.23Å; V483-E488 HydrophobicContact CG2-CB 4.4Å; V483-E488 PolarHBondContact N-O 2.83Å
484	A	92.6	Very high	95.9	Very high	66 Å²	66	48.2 Å²	48.2	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24	-174.2	0	0	0	0	0	114.9	Y482	Y482-A484 HydrophobicContact CE1-CB 4.1Å
485	S	91.6	Very high	95.9	Very high	102 Å²	102	47.2 Å²	47.2	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.4	179.3	54	0	0	0	0	113.2	V483	V483-S485 VanDerWaalsContact C-N 3.28Å; V483-S485 WeakPolarHBondContact CG1-OG 3.33Å; V483-S485 PolarHBondContact O-N 2.57Å
486	T	91.8	Very high	95.8	Very high	46 Å²	46	45.4 Å²	45.4	28%	0.282	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-7	-176.5	56.2	0	0	0	0	113.3	V483 E488 M570	V483-T486 WeakPolarHBondContact CB-OG1 3.41Å; V483-T486 WeakPolarHBondContact CG1-OG1 3.06Å; V483-T486 PolarHBondContact O-N 3.07Å; T486-E488 VanDerWaalsContact CB-OE1 3.31Å; T486-E488 WeakPolarHBondContact CB-OE1 3.31Å; T486-E488 PolarHBondContact O-N 2.72Å; T486-E488 WeakPolarHBondContact OG1-CG 3.34Å; T486-E488 PolarHBondContact OG1-OE1 3.13Å; T486-M570 WeakPolarHBondContact O-CE 2.96Å
487	Y	93.8	Very high	95.7	Very high	76 Å²	76	49.3 Å²	49.3	30%	0.298	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	22.4	-172.4	-64.9	-98.4	0	0	0	113.4	H443 V483 D490 M570 W608	H443-Y487 HydrophobicContact CB-CE1 4.11Å; H443-Y487 AromaticContact CG-CE1 4Å; H443-Y487 AromaticContact ND1-CE1 3.98Å; V483-Y487 WeakPolarHBondContact O-CA 3.48Å; V483-Y487 PolarHBondContact O-N 3.14Å; Y487-D490 WeakPolarHBondContact O-CB 3.35Å; Y487-D490 PolarHBondContact O-N 3.4Å; Y487-M570 VanDerWaalsContact O-CE 3.27Å; Y487-M570 WeakPolarHBondContact O-CE 3.21Å; Y487-W608 VanDerWaalsContact CB-CD1 3.5Å; Y487-W608 HydrophobicContact CD1-CB 4.25Å; Y487-W608 HydrophobicContact CD2-CB 4.33Å; Y487-W608 HydrophobicContact CD2-CG 4.25Å; Y487-W608 HydrophobicContact CE1-CB 4.35Å; Y487-W608 HydrophobicContact CE2-CB 4.45Å; Y487-W608 HydrophobicContact CG-CB 4.23Å; Y487-W608 AromaticContact CG-CD1 3.78Å; Y487-W608 HydrophobicContact CG-CG 4.14Å
488	E	94.8	Very high	95.6	Very high	56 Å²	56	49.2 Å²	49.2	26%	0.262	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-66.3	136.4	172.9	-74.2	173.5	-104.6	0	0	110.2	Y482 V483 T486 D490 K567 M570	Y482-E488 WeakPolarHBondContact CA-O 2.99Å; Y482-E488 VanDerWaalsContact CD2-O 3.3Å; Y482-E488 WeakPolarHBondContact CD2-O 3.46Å; V483-E488 HydrophobicContact CB-CB 4.23Å; V483-E488 HydrophobicContact CG2-CB 4.4Å; V483-E488 PolarHBondContact N-O 2.83Å; T486-E488 VanDerWaalsContact CB-OE1 3.31Å; T486-E488 WeakPolarHBondContact CB-OE1 3.31Å; T486-E488 PolarHBondContact O-N 2.72Å; T486-E488 WeakPolarHBondContact OG1-CG 3.34Å; T486-E488 PolarHBondContact OG1-OE1 3.13Å; E488-D490 PolarHBondContact O-N 2.87Å; E488-K567 HydrophobicContact CG-CB 3.74Å; E488-K567 HydrophobicContact CG-CD 4.27Å; E488-K567 HydrophobicContact CG-CG 3.52Å; E488-K567 WeakPolarHBondContact OE1-CE 3.38Å; E488-M570 HydrophobicContact CG-CE 4.42Å
489	N	96.3	Very high	95.4	Very high	31 Å²	31	49.2 Å²	49.2	17%	0.166	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.5	-177.9	-44.6	-73.3	0	0	0	113.4	H479 N481 I491 Y627	H479-N489 HydrophobicContact CB-CB 4.25Å; H479-N489 WeakPolarHBondContact ND1-CB 3.44Å; N481-N489 WeakPolarHBondContact CB-ND2 3.38Å; N481-N489 PolarHBondContact O-ND2 3.22Å; N489-I491 PolarHBondContact O-N 2.94Å; N489-Y627 WeakPolarHBondContact CA-OH 3.33Å; N489-Y627 HydrophobicContact CB-CE1 4.04Å; N489-Y627 WeakPolarHBondContact OD1-CE1 3.25Å; N489-Y627 PolarHBondContact OD1-OH 2.94Å; N489-Y627 VanDerWaalsContact OD1-OH 3.11Å
490	D	97.3	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.			trans	-73.7	72	178.4	-175.8	28.6	0	0	0	112	A442 H443 Y482 Y487 E488 S607 T622	A442-D490 WeakPolarHBondContact CA-OD1 3.41Å; A442-D490 WeakPolarHBondContact CB-OD1 2.82Å; A442-D490 PolarHBondContact N-OD1 3.09Å; H443-D490 IonicContact CE1-OD2 3.06Å; H443-D490 PolarHBondContact CE1-OD2 3.12Å; H443-D490 IonicContact CG-OD1 3.16Å; H443-D490 IonicContact CG-OD2 3.92Å; H443-D490 PolarHBondContact N-OD1 3.12Å; H443-D490 VanDerWaalsContact ND1-CG 3.33Å; H443-D490 IonicContact ND1-OD1 2.68Å; H443-D490 PolarHBondContact ND1-OD1 2.9Å; H443-D490 IonicContact ND1-OD2 2.68Å; H443-D490 PolarHBondContact ND1-OD2 3.23Å; Y482-D490 HydrophobicContact CD2-CB 4.18Å; Y482-D490 HydrophobicContact CE2-CB 3.87Å; Y487-D490 WeakPolarHBondContact O-CB 3.35Å; Y487-D490 PolarHBondContact O-N 3.4Å; E488-D490 PolarHBondContact O-N 2.87Å; D490-S607 WeakPolarHBondContact OD2-CB 3Å; D490-S607 PolarHBondContact OD2-OG 3.47Å; D490-T622 PolarHBondContact O-OG1 3.44Å
491	I	97.8	Very high	94.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.			trans	-144.6	140	-179.8	-166.8	170.1	0	0	0	110.8	L439 H479 N489 I605 T622 Y627 W630 I631	L439-I491 HydrophobicContact CD1-CD1 4.05Å; L439-I491 HydrophobicContact CD1-CG1 3.99Å; L439-I491 HydrophobicContact CD2-CD1 4.2Å; L439-I491 HydrophobicContact CG-CD1 4.38Å; L439-I491 HydrophobicContact CG-CG1 4.32Å; H479-I491 HydrophobicContact CB-CG2 3.7Å; H479-I491 WeakPolarHBondContact CB-O 3.36Å; H479-I491 PolarHBondContact N-O 2.93Å; H479-I491 VanDerWaalsContact N-O 3.14Å; N489-I491 PolarHBondContact O-N 2.94Å; I491-I605 HydrophobicContact CD1-CD1 4.17Å; I491-I605 HydrophobicContact CG1-CD1 3.88Å; I491-T622 HydrophobicContact CB-CG2 4.18Å; I491-Y627 HydrophobicContact CD1-CD2 4.08Å; I491-Y627 HydrophobicContact CD1-CG 3.97Å; I491-Y627 HydrophobicContact CG2-CD1 3.94Å; I491-Y627 HydrophobicContact CG2-CD2 4.49Å; I491-Y627 HydrophobicContact CG2-CE1 4.22Å; I491-Y627 HydrophobicContact CG2-CG 4.09Å; I491-W630 HydrophobicContact CD1-CE3 4.41Å; I491-W630 HydrophobicContact CD1-CZ3 4.16Å; I491-W630 HydrophobicContact CG1-CZ3 3.98Å; I491-W630 HydrophobicContact CG2-CE3 4.27Å; I491-W630 HydrophobicContact CG2-CH2 4.43Å; I491-W630 HydrophobicContact CG2-CZ3 4.02Å; I491-I631 HydrophobicContact CD1-CD1 4.24Å; I491-I631 HydrophobicContact CD1-CG1 4.49Å
492	A	97.8	Very high	94.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.4	174.9	0	0	0	0	0	111.9	T440 A442 V445 R477 I478	T440-A492 HydrophobicContact CG2-CB 4.3Å; T440-A492 PolarHBondContact N-O 2.03Å; T440-A492 PolarHBondContact O-N 2.85Å; A442-A492 HydrophobicContact CB-CB 4.47Å; V445-A492 HydrophobicContact CG2-CB 3.52Å; R477-A492 CarbonylContact O-C 3.59Å; R477-A492 VanDerWaalsContact O-CA 3.3Å; R477-A492 WeakPolarHBondContact O-CA 3.39Å; I478-A492 HydrophobicContact CG1-CB 4.23Å
493	L	97.1	Very high	93.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.8	171.3	-78.2	165.1	0	0	0	109.6	I433 W437 L439 I476 R477 W630 I631 H634 T635	I433-L493 HydrophobicContact CD1-CD2 3.89Å; W437-L493 HydrophobicContact CE3-CB 4.08Å; W437-L493 HydrophobicContact CE3-CD2 4.22Å; W437-L493 HydrophobicContact CZ3-CB 4.09Å; L439-L493 HydrophobicContact CD1-CD2 3.44Å; L439-L493 VanDerWaalsContact CD1-CD2 3.44Å; L439-L493 HydrophobicContact CD1-CG 3.85Å; I476-L493 WeakPolarHBondContact CA-O 2.84Å; R477-L493 HydrophobicContact CB-CB 4.17Å; R477-L493 PolarHBondContact N-O 2.84Å; R477-L493 PolarHBondContact O-N 2.93Å; L493-W630 HydrophobicContact CB-CH2 4.2Å; L493-W630 HydrophobicContact CD1-CE3 4.38Å; L493-W630 HydrophobicContact CD1-CH2 3.86Å; L493-W630 HydrophobicContact CD1-CZ2 4.47Å; L493-W630 HydrophobicContact CD1-CZ3 3.81Å; L493-W630 HydrophobicContact CG-CH2 3.81Å; L493-W630 HydrophobicContact CG-CZ3 3.78Å; L493-I631 HydrophobicContact CD2-CG2 4.49Å; L493-H634 HydrophobicContact CD1-CB 3.63Å; L493-T635 HydrophobicContact CD1-CG2 3.87Å; L493-T635 HydrophobicContact CD2-CG2 3.84Å
494	V	97	Very high	93.4	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119	175.5	179	0	0	0	0	107.9	L420 V438 T440 V445 V454 V473	L420-V494 HydrophobicContact CD2-CG2 4.24Å; V438-V494 HydrophobicContact CB-CB 4.2Å; V438-V494 PolarHBondContact N-O 3.29Å; V438-V494 PolarHBondContact O-N 2.96Å; T440-V494 HydrophobicContact CG2-CG2 3.92Å; V445-V494 HydrophobicContact CG1-CG2 4.24Å; V454-V494 HydrophobicContact CG2-CG1 4.08Å; V473-V494 HydrophobicContact CB-CG1 4.21Å; V473-V494 HydrophobicContact CG1-CG1 3.61Å; V473-V494 HydrophobicContact CG2-CG1 3.51Å
495	Q	95.8	Very high	93.2	Very high	54 Å²	54	59.9 Å²	59.9	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.8	178.3	-166.5	176.1	12.5	0	0	110	C436 W437 T474 D475	C436-Q495 WeakPolarHBondContact O-CA 3.37Å; W437-Q495 HydrophobicContact CE3-CB 4.03Å; W437-Q495 HydrophobicContact CE3-CG 4.32Å; W437-Q495 HydrophobicContact CH2-CB 4.02Å; W437-Q495 HydrophobicContact CH2-CG 3.95Å; W437-Q495 HydrophobicContact CZ2-CG 4.18Å; W437-Q495 HydrophobicContact CZ3-CB 3.66Å; W437-Q495 HydrophobicContact CZ3-CG 4.03Å; T474-Q495 PolarHBondContact N-O 2.9Å; D475-Q495 HydrophobicContact CB-CB 4Å; D475-Q495 PolarHBondContact N-O 3.17Å; D475-Q495 PolarHBondContact O-N 3.49Å
496	L	95.3	Very high	93	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	150.9	179.7	-56.3	175.9	0	0	0	111.4	Y432 C436 V438 V454 F456 V471 C505	Y432-L496 HydrophobicContact CE2-CD1 4.49Å; C436-L496 HydrophobicContact CB-CB 4.34Å; C436-L496 PolarHBondContact O-N 2.79Å; V438-L496 HydrophobicContact CG2-CD1 4.37Å; V438-L496 HydrophobicContact CG2-CD2 4.18Å; V438-L496 HydrophobicContact CG2-CG 4.46Å; V454-L496 HydrophobicContact CB-CD2 3.91Å; V454-L496 HydrophobicContact CG1-CD2 4.44Å; V454-L496 HydrophobicContact CG2-CD2 3.69Å; F456-L496 HydrophobicContact CE2-CD1 4.21Å; F456-L496 HydrophobicContact CE2-CD2 4.41Å; F456-L496 HydrophobicContact CZ-CD1 3.65Å; F456-L496 HydrophobicContact CZ-CD2 4.27Å; V471-L496 HydrophobicContact CB-CD2 4.32Å; V471-L496 HydrophobicContact CG1-CB 3.92Å; V471-L496 HydrophobicContact CG1-CD2 4.21Å; V471-L496 HydrophobicContact CG1-CG 4.45Å; L496-C505 HydrophobicContact CB-CB 3.78Å; L496-C505 HydrophobicContact CD1-CB 4.26Å; L496-C505 PolarHBondContact O-SG 2.85Å
497	E	95.5	Very high	92.8	Very high	97 Å²	97	60.9 Å²	60.9	45%	0.453	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-70	133.8	171.9	-169.6	172.2	-166	0	0	111.5	P472 T474 C505	P472-E497 HydrophobicContact CB-CB 4.24Å; P472-E497 VanDerWaalsContact CB-OE2 3.24Å; P472-E497 WeakPolarHBondContact CB-OE2 3.28Å; P472-E497 WeakPolarHBondContact CG-OE2 3.24Å; P472-E497 PolarHBondContact O-N 3.03Å; T474-E497 WeakPolarHBondContact OG1-CA 3.49Å; T474-E497 WeakPolarHBondContact OG1-CB 2.96Å; T474-E497 PolarHBondContact OG1-N 3.26Å; E497-C505 WeakPolarHBondContact O-CB 3.45Å; E497-C505 PolarHBondContact O-SG 2.84Å; E497-C505 VanDerWaalsContact O-SG 3.4Å
498	K	94.2	Very high	92.5	Very high	107 Å²	107	63.8 Å²	63.8	47%	0.465	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.4	144.4	176.9	-72.3	-176.2	173.3	-170.3	0	110.8	D503	K498-D503 IonicContact NZ-OD1 3.98Å; K498-D503 PolarHBondContact NZ-OD1 3.02Å
499	L	92.2	Very high	92.1	Very high	56 Å²	56	62.2 Å²	62.2	29%	0.293	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-66.3	144.4	170.1	-64	172.2	0	0	0	110	F501 T502 K504 E507	L499-F501 PolarHBondContact O-N 3.12Å; L499-T502 WeakPolarHBondContact CB-OG1 3.46Å; L499-T502 PolarHBondContact O-N 2.04Å; L499-T502 PolarHBondContact O-OG1 3.34Å; L499-K504 HydrophobicContact CD1-CB 4.48Å; L499-K504 PolarHBondContact N-O 3.34Å; L499-E507 HydrophobicContact CD1-CG 3.92Å
500	P	91.1	Very high	91.7	Very high	101 Å²	101	63.5 Å²	63.5	66%	0.656	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	133	-180	-26.5	34.2	0	0	0	112.4	T502	P500-T502 PolarHBondContact O-N 3.33Å
501	F	89	Confident	91.3	Very high	218 Å²	218	63.6 Å²	63.6	96%	0.956	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	17.6	177.1	-44.2	-74.5	0	0	0	115.7	L499	L499-F501 PolarHBondContact O-N 3.12Å
502	T	89.1	Confident	91	Very high	67 Å²	67	64.2 Å²	64.2	41%	0.411	33%	0.325	S	S	.	.	S	Bend	trans	-134.7	163.1	175.5	79.2	0	0	0	0	111.7	L499 P500 K504	L499-T502 WeakPolarHBondContact CB-OG1 3.46Å; L499-T502 PolarHBondContact O-N 2.04Å; L499-T502 PolarHBondContact O-OG1 3.34Å; P500-T502 PolarHBondContact O-N 3.33Å; T502-K504 VanDerWaalsContact C-N 3.32Å; T502-K504 PolarHBondContact OG1-N 3.29Å; T502-K504 PolarHBondContact OG1-O 3.01Å
503	D	83.6	Confident	90.6	Very high	133 Å²	133	69.4 Å²	69.4	71%	0.711	35%	0.345	S	S	*	.	S	Bend	trans	-89.5	4.1	170.3	-76.4	-50	0	0	0	113.6	K498	K498-D503 IonicContact NZ-OD1 3.98Å; K498-D503 PolarHBondContact NZ-OD1 3.02Å
504	K	87.1	Confident	90.3	Very high	106 Å²	106	69.9 Å²	69.9	46%	0.461	35%	0.349	S	S	.	.			trans	-91.1	150.2	177.9	-65.9	-171.5	175.1	-168.8	0	110.6	L499 T502 D508	L499-K504 HydrophobicContact CD1-CB 4.48Å; L499-K504 PolarHBondContact N-O 3.34Å; T502-K504 VanDerWaalsContact C-N 3.32Å; T502-K504 PolarHBondContact OG1-N 3.29Å; T502-K504 PolarHBondContact OG1-O 3.01Å; K504-D508 IonicContact NZ-OD1 2.76Å; K504-D508 PolarHBondContact NZ-OD1 2.97Å; K504-D508 IonicContact NZ-OD2 2.87Å; K504-D508 PolarHBondContact NZ-OD2 3.21Å; K504-D508 VanDerWaalsContact NZ-OD2 3.16Å
505	C	89.4	Confident	90.1	Very high	4 Å²	4	69.9 Å²	69.9	3%	0.027	35%	0.349	C	S	.	.	S	Bend	trans	-108.5	-7.2	173.5	-66	0	0	0	0	113.6	C436 L496 E497	C436-C505 HydrophobicContact CB-CB 3.87Å; C436-C505 WeakPolarHBondContact CB-SG 3.42Å; C436-C505 WeakPolarHBondContact SG-CB 3.38Å; C436-C505 CovalentContact SG-SG 2.01Å; C436-C505 PolarHBondContact SG-SG 3.24Å; L496-C505 HydrophobicContact CB-CB 3.78Å; L496-C505 HydrophobicContact CD1-CB 4.26Å; L496-C505 PolarHBondContact O-SG 2.85Å; E497-C505 WeakPolarHBondContact O-CB 3.45Å; E497-C505 PolarHBondContact O-SG 2.84Å; E497-C505 VanDerWaalsContact O-SG 3.4Å
506	L	87.5	Confident	89.9	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.099	34%	0.337	C	S	.	.	S	Bend	trans	-139	141.8	-179.9	-75.3	162.7	0	0	0	107.8	Y432 F456 D469 V471 V512	Y432-L506 HydrophobicContact CE1-CD1 4.39Å; Y432-L506 HydrophobicContact CE2-CD1 4.27Å; F456-L506 HydrophobicContact CD1-CD1 4.24Å; F456-L506 HydrophobicContact CD2-CD2 4.01Å; F456-L506 HydrophobicContact CE1-CD1 3.89Å; F456-L506 HydrophobicContact CE2-CD1 4.28Å; F456-L506 HydrophobicContact CE2-CD2 4.1Å; F456-L506 HydrophobicContact CG-CD2 4.44Å; F456-L506 HydrophobicContact CZ-CD1 3.94Å; D469-L506 HydrophobicContact CB-CD2 3.89Å; V471-L506 HydrophobicContact CG2-CD2 3.38Å; V471-L506 HydrophobicContact CG2-CG 4.2Å; L506-V512 HydrophobicContact CD1-CG1 4.2Å
507	E	88.2	Confident	89.7	Confident	150 Å²	150	67.4 Å²	67.4	70%	0.701	34%	0.337	S	S	*	.			trans	-68	162.2	161.8	-65.6	-172.9	175	0	0	109.1	L499 N509	L499-E507 HydrophobicContact CD1-CG 3.92Å; E507-N509 VanDerWaalsContact C-N 3.27Å; E507-N509 PolarHBondContact O-N 2.82Å
508	D	85.8	Confident	89.4	Confident	137 Å²	137	62.8 Å²	62.8	73%	0.733	32%	0.316	S	S	*	.			trans	-70.7	87.3	-177.4	-66.3	-27.3	0	0	0	109.6	K504	K504-D508 IonicContact NZ-OD1 2.76Å; K504-D508 PolarHBondContact NZ-OD1 2.97Å; K504-D508 IonicContact NZ-OD2 2.87Å; K504-D508 PolarHBondContact NZ-OD2 3.21Å; K504-D508 VanDerWaalsContact NZ-OD2 3.16Å
509	N	88.2	Confident	89	Confident	24 Å²	24	58.4 Å²	58.4	13%	0.128	30%	0.296	C	S	.	.			trans	-94.5	114.7	176.8	-176	-16.2	0	0	0	109.6	T467 D469 E507 A511 V512	T467-N509 PolarHBondContact O-ND2 3.09Å; D469-N509 VanDerWaalsContact CG-ND2 3.27Å; D469-N509 PolarHBondContact OD1-ND2 2.78Å; D469-N509 VanDerWaalsContact OD2-CB 3.25Å; D469-N509 WeakPolarHBondContact OD2-CB 3.31Å; D469-N509 PolarHBondContact OD2-ND2 3Å; E507-N509 VanDerWaalsContact C-N 3.27Å; E507-N509 PolarHBondContact O-N 2.82Å; N509-A511 PolarHBondContact O-N 2.83Å; N509-A511 WeakPolarHBondContact OD1-CB 3.38Å; N509-A511 PolarHBondContact OD1-N 2.98Å; N509-V512 HydrophobicContact CB-CB 4.31Å; N509-V512 HydrophobicContact CB-CG2 4.01Å; N509-V512 PolarHBondContact O-N 3.24Å
510	P	86.9	Confident	88.7	Confident	58 Å²	58	56.1 Å²	56.1	38%	0.377	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.5	-174.2	35.3	-40.5	0	0	0	113.2	N382 L385 V512	N382-P510 PolarHBondContact ND2-O 2.99Å; L385-P510 HydrophobicContact CD1-CB 3.28Å; L385-P510 HydrophobicContact CD1-CG 3.39Å; L385-P510 VanDerWaalsContact CD1-O 3.31Å; L385-P510 WeakPolarHBondContact CD1-O 3.39Å; P510-V512 VanDerWaalsContact C-N 3.33Å
511	A	89.2	Confident	88.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.9	170	0	0	0	0	0	113.6	T412 Q415 T467 N509	T412-A511 HydrophobicContact CG2-CB 3.69Å; Q415-A511 WeakPolarHBondContact CB-O 3.4Å; Q415-A511 WeakPolarHBondContact CG-O 3.37Å; T467-A511 HydrophobicContact CG2-CB 4.45Å; N509-A511 PolarHBondContact O-N 2.83Å; N509-A511 WeakPolarHBondContact OD1-CB 3.38Å; N509-A511 PolarHBondContact OD1-N 2.98Å
512	V	90.1	Very high	88.5	Confident	13 Å²	13	47.7 Å²	47.7	8%	0.079	24%	0.243	C	C	.	.			trans	-119.8	123.3	179.2	-177.7	0	0	0	0	109.8	Y432 F456 L506 N509 P510	Y432-V512 HydrophobicContact CD1-CG1 3.79Å; Y432-V512 HydrophobicContact CE1-CG1 3.96Å; F456-V512 HydrophobicContact CB-CG2 3.7Å; F456-V512 HydrophobicContact CD1-CG1 3.66Å; F456-V512 HydrophobicContact CD1-CG2 4.38Å; F456-V512 HydrophobicContact CE1-CG1 4.3Å; F456-V512 HydrophobicContact CG-CG1 4.39Å; F456-V512 HydrophobicContact CG-CG2 4.37Å; L506-V512 HydrophobicContact CD1-CG1 4.2Å; N509-V512 HydrophobicContact CB-CB 4.31Å; N509-V512 HydrophobicContact CB-CG2 4.01Å; N509-V512 PolarHBondContact O-N 3.24Å; P510-V512 VanDerWaalsContact C-N 3.33Å
513	R	90.3	Very high	88.5	Confident	109 Å²	109	44.7 Å²	44.7	41%	0.411	23%	0.225	S	C	.	.			trans	-138.9	142.4	176.7	-66	-63.9	-177.7	-157.4	2.6	109.7	Q415 W416	Q415-R513 CarbonylContact C-O 3.43Å; Q415-R513 HydrophobicContact CB-CB 3.98Å; Q415-R513 HydrophobicContact CB-CG 4.29Å; Q415-R513 PolarHBondContact O-N 3.04Å; W416-R513 VanDerWaalsContact CA-O 3.24Å; W416-R513 WeakPolarHBondContact CA-O 3.36Å; W416-R513 WeakPolarHBondContact CB-O 3.36Å; W416-R513 PolarHBondContact N-O 2.61Å
514	A	91.3	Very high	88.8	Confident	11 Å²	11	38.8 Å²	38.8	9%	0.091	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-73.2	142.5	176.1	0	0	0	0	0	110.7	C378 G379 Y432	C378-A514 CarbonylContact C-O 3.6Å; C378-A514 WeakPolarHBondContact CA-O 3.3Å; C378-A514 HydrophobicContact CB-CB 4.46Å; G379-A514 PolarHBondContact N-O 3.36Å; Y432-A514 HydrophobicContact CD1-CB 4.07Å; Y432-A514 HydrophobicContact CE1-CB 4.04Å; Y432-A514 CarbonylContact O-C 3.5Å; Y432-A514 VanDerWaalsContact O-CA 3.3Å; Y432-A514 WeakPolarHBondContact O-CA 3.33Å
515	V	92.6	Very high	88.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-88.6	145.5	165.9	65.2	0	0	0	0	109.7	W416 A431 Y432 I433 V592 S600 L602	W416-V515 HydrophobicContact CB-CB 3.76Å; W416-V515 HydrophobicContact CB-CG1 4.06Å; W416-V515 HydrophobicContact CD2-CB 4.07Å; W416-V515 HydrophobicContact CD2-CG2 4.4Å; W416-V515 HydrophobicContact CE3-CB 4.36Å; W416-V515 HydrophobicContact CG-CB 3.81Å; W416-V515 HydrophobicContact CG-CG1 4.35Å; W416-V515 HydrophobicContact CG-CG2 4.45Å; A431-V515 HydrophobicContact CB-CG1 3.91Å; Y432-V515 WeakPolarHBondContact O-CG1 3.34Å; Y432-V515 PolarHBondContact O-N 3.19Å; I433-V515 HydrophobicContact CG2-CG1 4.26Å; V515-V592 HydrophobicContact CG2-CG1 4.09Å; V515-V592 HydrophobicContact CG2-CG2 4.31Å; V515-S600 WeakPolarHBondContact CG2-O 3.49Å; V515-L602 HydrophobicContact CG1-CB 3.73Å; V515-L602 HydrophobicContact CG1-CD2 4.36Å; V515-L602 HydrophobicContact CG1-CG 4.48Å; V515-L602 HydrophobicContact CG2-CB 4.09Å
516	C	91.4	Very high	88.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-72.8	148	179.2	-61.8	0	0	0	0	111.5	C378 V599 S600 Y601 L602	C378-C516 HydrophobicContact CB-CB 4.01Å; C378-C516 WeakPolarHBondContact CB-SG 3.34Å; C378-C516 PolarHBondContact O-SG 2.72Å; C378-C516 VanDerWaalsContact O-SG 3.33Å; C378-C516 WeakPolarHBondContact SG-CA 3.49Å; C378-C516 WeakPolarHBondContact SG-CB 3.37Å; C378-C516 CovalentContact SG-SG 2.04Å; C378-C516 PolarHBondContact SG-SG 3.32Å; C516-V599 VanDerWaalsContact SG-CG1 3.51Å; C516-S600 PolarHBondContact N-O 2.79Å; C516-S600 VanDerWaalsContact N-O 3.12Å; C516-Y601 HydrophobicContact CB-CD1 3.37Å; C516-Y601 HydrophobicContact CB-CE1 3.45Å; C516-Y601 VanDerWaalsContact CB-CE1 3.45Å; C516-Y601 HydrophobicContact CB-CG 4Å; C516-Y601 CarbonylContact O-C 3.57Å; C516-Y601 WeakPolarHBondContact O-CA 3.39Å; C516-L602 PolarHBondContact O-N 3.05Å
517	V	91.4	Very high	88.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-97.4	126.9	173	-177.3	0	0	0	0	109.1	I433 V624 F628 I631 V640	I433-V517 HydrophobicContact CB-CG2 3.87Å; I433-V517 HydrophobicContact CD1-CG2 4.32Å; I433-V517 HydrophobicContact CG2-CG2 3.75Å; V517-V624 HydrophobicContact CG1-CG1 3.87Å; V517-F628 HydrophobicContact CG1-CD2 4.24Å; V517-I631 HydrophobicContact CG1-CD1 3.91Å; V517-V640 HydrophobicContact CB-CG1 3.57Å; V517-V640 WeakPolarHBondContact CB-O 3.44Å; V517-V640 HydrophobicContact CG1-CG1 3.59Å; V517-V640 HydrophobicContact CG2-CG1 4.12Å
518	P	89.8	Confident	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.3	136	178.7	30.2	-36.2	0	0	0	111	L523 Y601 L602 W603 V624 A625 F628	P518-L523 HydrophobicContact CB-CD2 4.1Å; P518-Y601 HydrophobicContact CB-CD1 4.41Å; P518-L602 WeakPolarHBondContact CD-O 3.34Å; P518-L602 WeakPolarHBondContact CG-O 3.26Å; P518-W603 HydrophobicContact CB-CE3 3.87Å; P518-W603 HydrophobicContact CB-CZ3 3.79Å; P518-W603 HydrophobicContact CG-CE3 3.79Å; P518-W603 HydrophobicContact CG-CZ3 4.11Å; P518-V624 HydrophobicContact CG-CB 4.45Å; P518-V624 HydrophobicContact CG-CG1 4.4Å; P518-A625 HydrophobicContact CB-CB 3.97Å; P518-A625 HydrophobicContact CG-CB 3.78Å; P518-F628 WeakPolarHBondContact O-CD2 3.47Å
519	W	84.8	Confident	89.2	Confident	15 Å²	15	35 Å²	35	6%	0.057	19%	0.191	C	C	.	.	S	Bend	trans	-93.8	-6.9	177	67.5	88.4	0	0	0	114.1	F88 L328 Y601 F628 T641 F643 N644	F88-W519 AromaticContact CD1-CZ2 3.98Å; F88-W519 HydrophobicContact CD1-CZ2 3.98Å; F88-W519 AromaticContact CE1-CH2 3.43Å; F88-W519 HydrophobicContact CE1-CH2 3.43Å; F88-W519 VanDerWaalsContact CE1-CH2 3.43Å; F88-W519 AromaticContact CE1-CZ2 3.21Å; F88-W519 HydrophobicContact CE1-CZ2 3.21Å; F88-W519 AromaticContact CZ-CH2 3.87Å; F88-W519 HydrophobicContact CZ-CH2 3.87Å; F88-W519 AromaticContact CZ-CZ2 3.8Å; F88-W519 HydrophobicContact CZ-CZ2 3.8Å; L328-W519 HydrophobicContact CD2-CZ2 3.99Å; W519-Y601 HydrophobicContact CZ3-CE1 4.01Å; W519-F628 VanDerWaalsContact CA-CD2 3.41Å; W519-F628 HydrophobicContact CB-CD1 4.11Å; W519-F628 HydrophobicContact CB-CD2 3.77Å; W519-F628 HydrophobicContact CB-CE1 3.94Å; W519-F628 HydrophobicContact CB-CE2 3.53Å; W519-F628 HydrophobicContact CB-CG 4.04Å; W519-F628 HydrophobicContact CB-CZ 3.66Å; W519-T641 HydrophobicContact CB-CG2 4.18Å; W519-T641 HydrophobicContact CE3-CG2 4.49Å; W519-F643 HydrophobicContact CH2-CB 4.03Å; W519-F643 AromaticContact CH2-CD2 3.72Å; W519-F643 HydrophobicContact CH2-CD2 3.72Å; W519-F643 HydrophobicContact CH2-CG 4.23Å; W519-F643 HydrophobicContact CZ2-CB 4.45Å; W519-F643 HydrophobicContact CZ3-CB 4.19Å; W519-F643 AromaticContact CZ3-CD2 3.83Å; W519-F643 HydrophobicContact CZ3-CD2 3.83Å; W519-F643 HydrophobicContact CZ3-CG 4.48Å; W519-N644 VanDerWaalsContact CE2-ND2 3.33Å; W519-N644 PolarHBondContact NE1-ND2 3.35Å
520	T	86.9	Confident	89.4	Confident	8 Å²	8	34 Å²	34	5%	0.049	19%	0.186	C	C	.	.			trans	-142.2	143.1	-178.4	178.2	0	0	0	0	111.8	G85 L328 Q522 L523 W603 A625	G85-T520 WeakPolarHBondContact CA-OG1 3.39Å; G85-T520 WeakPolarHBondContact O-CB 2.95Å; G85-T520 PolarHBondContact O-OG1 3.5Å; L328-T520 HydrophobicContact CD1-CG2 3.91Å; T520-Q522 PolarHBondContact O-N 2.78Å; T520-Q522 PolarHBondContact OG1-N 2.88Å; T520-L523 HydrophobicContact CG2-CB 4.09Å; T520-W603 WeakPolarHBondContact O-CH2 3.46Å; T520-W603 WeakPolarHBondContact O-CZ3 3.38Å; T520-A625 WeakPolarHBondContact O-CB 3.29Å
521	T	88.8	Confident	89.6	Confident	53 Å²	53	32.8 Å²	32.8	33%	0.325	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.9	175.4	55.9	0	0	0	0	113.3	W603 A625	T521-W603 VanDerWaalsContact O-CH2 3.27Å; T521-W603 WeakPolarHBondContact O-CH2 3.24Å; T521-A625 HydrophobicContact CG2-CB 3.96Å
522	Q	86.9	Confident	89.7	Confident	89 Å²	89	33.3 Å²	33.3	42%	0.416	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.6	-179.2	-54.6	-68.9	60.2	0	0	113.7	G85 L86 T520 F524	G85-Q522 WeakPolarHBondContact O-CB 3.26Å; L86-Q522 HydrophobicContact CD2-CB 3.92Å; L86-Q522 HydrophobicContact CD2-CG 3.78Å; T520-Q522 PolarHBondContact O-N 2.78Å; T520-Q522 PolarHBondContact OG1-N 2.88Å; Q522-F524 VanDerWaalsContact C-N 3.35Å; Q522-F524 PolarHBondContact O-N 3.19Å
523	L	87.7	Confident	89.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-63.1	-40.6	-176.4	-174.9	61.3	0	0	0	112.2	L328 P518 T520 Y601 W603	L328-L523 HydrophobicContact CB-CD1 3.79Å; L328-L523 VanDerWaalsContact O-CD1 3.24Å; L328-L523 WeakPolarHBondContact O-CD1 3.36Å; P518-L523 HydrophobicContact CB-CD2 4.1Å; T520-L523 HydrophobicContact CG2-CB 4.09Å; L523-Y601 HydrophobicContact CD2-CD1 3.95Å; L523-Y601 HydrophobicContact CD2-CD2 4.11Å; L523-Y601 HydrophobicContact CD2-CE1 4.1Å; L523-Y601 HydrophobicContact CD2-CE2 4.24Å; L523-Y601 HydrophobicContact CD2-CG 3.95Å; L523-W603 HydrophobicContact CB-CH2 4.23Å; L523-W603 HydrophobicContact CB-CZ3 3.94Å
524	F	90.5	Very high	89.8	Confident	9 Å²	9	28 Å²	28	4%	0.039	16%	0.162	C	C	.	.	S	Bend	trans	-122.7	116.1	178.9	-60.3	-72.4	0	0	0	110.8	Q522 H528 L554 C593 D595 Y601 W603	Q522-F524 VanDerWaalsContact C-N 3.35Å; Q522-F524 PolarHBondContact O-N 3.19Å; F524-H528 HydrophobicContact CB-CB 4.49Å; F524-H528 AromaticContact CD1-CD2 3.56Å; F524-H528 AromaticContact CD1-CE1 3.78Å; F524-H528 AromaticContact CD1-NE2 3.39Å; F524-H528 WeakPolarHBondContact CD1-NE2 3.34Å; F524-H528 AromaticContact CE1-NE2 3.69Å; F524-L554 HydrophobicContact CB-CD1 3.92Å; F524-C593 HydrophobicContact CD1-CB 3.89Å; F524-C593 HydrophobicContact CD2-CB 3.71Å; F524-C593 HydrophobicContact CE1-CB 3.84Å; F524-C593 HydrophobicContact CE2-CB 3.67Å; F524-C593 HydrophobicContact CG-CB 3.82Å; F524-C593 HydrophobicContact CZ-CB 3.73Å; F524-D595 HydrophobicContact CE1-CB 4.44Å; F524-Y601 HydrophobicContact CE2-CD2 4.19Å; F524-Y601 HydrophobicContact CE2-CG 4.19Å; F524-Y601 AromaticContact CZ-CD2 3.87Å; F524-Y601 HydrophobicContact CZ-CD2 3.87Å; F524-Y601 HydrophobicContact CZ-CG 4.33Å; F524-W603 HydrophobicContact CB-CD2 4.41Å; F524-W603 HydrophobicContact CB-CH2 4.4Å; F524-W603 HydrophobicContact CB-CZ2 4.07Å; F524-W603 AromaticContact CD2-CD2 3.76Å; F524-W603 HydrophobicContact CD2-CD2 3.76Å; F524-W603 AromaticContact CD2-CE3 3.55Å; F524-W603 HydrophobicContact CD2-CE3 3.55Å; F524-W603 HydrophobicContact CD2-CG 4.25Å; F524-W603 HydrophobicContact CD2-CH2 4.3Å; F524-W603 AromaticContact CD2-CZ3 3.85Å; F524-W603 HydrophobicContact CD2-CZ3 3.85Å; F524-W603 HydrophobicContact CE2-CE3 4.18Å
525	P	87.6	Confident	89.6	Confident	39 Å²	39	27.8 Å²	27.8	25%	0.253	16%	0.158	S	C	.	.			trans	-76.1	168.1	179.3	32	-36.1	0	0	0	112.1	R310 H528	R310-P525 HydrophobicContact CB-CG 4.42Å; P525-H528 WeakPolarHBondContact O-CB 3.42Å; P525-H528 PolarHBondContact O-N 3.2Å
526	P	88.4	Confident	89	Confident	71 Å²	71	28 Å²	28	46%	0.461	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	154.3	169.6	-24.3	34.8	0	0	0	112.5	H528	P526-H528 PolarHBondContact O-N 3.13Å
527	N	89	Confident	88.2	Confident	122 Å²	122	33.5 Å²	33.5	65%	0.652	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	1.9	-173.9	-53.5	-33.5	0	0	0	115.5	L554	N527-L554 WeakPolarHBondContact CA-O 3.29Å; N527-L554 PolarHBondContact N-O 3.24Å
528	H	90.2	Very high	87.1	Confident	27 Å²	27	34.7 Å²	34.7	13%	0.125	19%	0.188	C	C	.	.			trans	-65.8	139.6	170.9	-169.2	81.5	0	0	0	110.7	R310 F524 P525 P526 S553 L554 Q594	R310-H528 PolarHBondContact NH1-ND1 3.17Å; R310-H528 VanDerWaalsContact NH1-ND1 3.17Å; F524-H528 HydrophobicContact CB-CB 4.49Å; F524-H528 AromaticContact CD1-CD2 3.56Å; F524-H528 AromaticContact CD1-CE1 3.78Å; F524-H528 AromaticContact CD1-NE2 3.39Å; F524-H528 WeakPolarHBondContact CD1-NE2 3.34Å; F524-H528 AromaticContact CE1-NE2 3.69Å; P525-H528 WeakPolarHBondContact O-CB 3.42Å; P525-H528 PolarHBondContact O-N 3.2Å; P526-H528 PolarHBondContact O-N 3.13Å; H528-S553 WeakPolarHBondContact O-CA 3.5Å; H528-L554 HydrophobicContact CB-CD1 4.1Å; H528-L554 HydrophobicContact CB-CG 4.35Å; H528-L554 WeakPolarHBondContact O-CG 3.41Å; H528-L554 PolarHBondContact O-N 3.25Å; H528-Q594 PolarHBondContact CE1-O 3.24Å; H528-Q594 PolarHBondContact NE2-O 3.14Å
529	T	90.9	Very high	85.7	Confident	79 Å²	79	37.7 Å²	37.7	49%	0.485	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.3	179.2	-55.1	0	0	0	0	110	N551 V552	T529-N551 HydrophobicContact CG2-CB 3.92Å; T529-V552 CarbonylContact C-O 3.59Å; T529-V552 WeakPolarHBondContact CA-O 3.35Å
530	C	92.8	Very high	84.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	172.3	176.6	-54.6	0	0	0	0	110	N551 V552 L591 V592 C593	C530-N551 CarbonylContact O-C 3.59Å; C530-N551 VanDerWaalsContact O-CA 3.28Å; C530-N551 WeakPolarHBondContact O-CA 3.1Å; C530-V552 PolarHBondContact N-O 3.5Å; C530-V552 PolarHBondContact O-N 2.86Å; C530-V552 VanDerWaalsContact O-O 3.11Å; C530-L591 HydrophobicContact CB-CD1 3.79Å; C530-L591 HydrophobicContact CB-CG 4.28Å; C530-V592 WeakPolarHBondContact CB-O 3.28Å; C530-C593 HydrophobicContact CB-CB 4.02Å; C530-C593 WeakPolarHBondContact CB-SG 3.23Å; C530-C593 WeakPolarHBondContact SG-CB 3.42Å; C530-C593 CovalentContact SG-SG 2.03Å; C530-C593 PolarHBondContact SG-SG 2.82Å
531	S	91.8	Very high	83.6	Confident	31 Å²	31	44.6 Å²	44.6	22%	0.217	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.1	179.1	62.2	0	0	0	0	111.1	A550 L591 V592	S531-A550 CarbonylContact C-O 3.59Å; S531-A550 VanDerWaalsContact CA-O 3.24Å; S531-A550 WeakPolarHBondContact CA-O 3.07Å; S531-L591 CarbonylContact O-C 3.57Å; S531-L591 WeakPolarHBondContact O-CA 3.5Å; S531-V592 PolarHBondContact N-O 2.93Å; S531-V592 PolarHBondContact O-N 3.49Å; S531-V592 PolarHBondContact OG-O 2.87Å; S531-V592 VanDerWaalsContact OG-O 3.11Å
532	I	91.3	Very high	82.7	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.3	171.1	56.2	171.5	0	0	0	109.6	W549 A550 V552 L591 Y621	I532-W549 CarbonylContact O-C 3.6Å; I532-W549 WeakPolarHBondContact O-CA 3.36Å; I532-W549 WeakPolarHBondContact O-CB 3.34Å; I532-A550 HydrophobicContact CG1-CB 4.13Å; I532-A550 PolarHBondContact N-O 2.89Å; I532-A550 PolarHBondContact O-N 3.34Å; I532-V552 HydrophobicContact CD1-CG1 3.89Å; I532-V552 HydrophobicContact CG1-CG1 4.17Å; I532-V552 HydrophobicContact CG2-CG2 3.86Å; I532-L591 HydrophobicContact CG2-CB 4.18Å; I532-L591 HydrophobicContact CG2-CD1 3.31Å; I532-L591 HydrophobicContact CG2-CG 4.36Å; I532-Y621 HydrophobicContact CG2-CE1 4.05Å
533	S	91.2	Very high	82.1	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.7	177.4	48.5	0	0	0	0	113.2	Q417 L548	Q417-S533 PolarHBondContact OE1-O 3.06Å; Q417-S533 PolarHBondContact OE1-OG 2.05Å; S533-L548 VanDerWaalsContact CA-O 3.29Å; S533-L548 WeakPolarHBondContact CA-O 3.43Å
534	G	90.2	Very high	81.9	Confident	4 Å²	4	50 Å²	50	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-175	-178.3	0	0	0	0	0	115.3	L548 D586	G534-L548 PolarHBondContact N-O 2.81Å; G534-L548 PolarHBondContact O-N 3.43Å; G534-D586 VanDerWaalsContact C-OD1 3.3Å; G534-D586 VanDerWaalsContact CA-OD1 3.27Å; G534-D586 WeakPolarHBondContact CA-OD1 3.32Å
535	W	88.3	Confident	81.6	Confident	6 Å²	6	56.7 Å²	56.7	2%	0.023	31%	0.313	C	S	.	.			trans	-120.3	24.2	179.9	-60.2	-90.5	0	0	0	112.6	Q417 A419 L458 W459 K461 A544 L547 D586	Q417-W535 HydrophobicContact CG-CH2 3.74Å; Q417-W535 HydrophobicContact CG-CZ3 3.95Å; A419-W535 HydrophobicContact CB-CH2 3.92Å; A419-W535 HydrophobicContact CB-CZ3 3.82Å; L458-W535 HydrophobicContact CB-CH2 4.41Å; L458-W535 HydrophobicContact CB-CZ2 4.09Å; L458-W535 HydrophobicContact CD2-CZ2 4.32Å; L458-W535 HydrophobicContact CG-CZ2 4.33Å; L458-W535 VanDerWaalsContact O-CZ2 3.29Å; L458-W535 WeakPolarHBondContact O-CZ2 3.44Å; W459-W535 PolarHBondContact O-NE1 2.9Å; K461-W535 HydrophobicContact CB-CG 4.44Å; K461-W535 HydrophobicContact CD-CB 4.1Å; W535-A544 PolarHBondContact O-N 3.27Å; W535-L547 HydrophobicContact CD2-CD1 3.98Å; W535-L547 HydrophobicContact CE3-CD1 4.22Å; W535-L547 HydrophobicContact CH2-CD1 3.94Å; W535-L547 HydrophobicContact CZ2-CB 4.11Å; W535-L547 HydrophobicContact CZ2-CD1 3.68Å; W535-L547 HydrophobicContact CZ2-CG 4.31Å; W535-L547 HydrophobicContact CZ3-CD1 4.2Å; W535-D586 PolarHBondContact N-OD1 2.98Å
536	G	80.1	Confident	81.7	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.031	31%	0.312	C	S	.	.			trans	-63.2	-178.8	179.1	0	0	0	0	0	113.2	A544 Q584 G585 D586	G536-A544 PolarHBondContact O-N 3.29Å; G536-Q584 CarbonylContact C-O 3.58Å; G536-Q584 VanDerWaalsContact CA-O 3.28Å; G536-Q584 WeakPolarHBondContact CA-O 3.27Å; G536-G585 VanDerWaalsContact CA-C 3.44Å; G536-D586 VanDerWaalsContact CA-OD1 3.23Å; G536-D586 WeakPolarHBondContact CA-OD1 3.27Å; G536-D586 PolarHBondContact N-OD1 2.03Å
537	R	73.6	Confident	81.8	Confident	119 Å²	119	53.6 Å²	53.6	45%	0.449	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-69.6	134.8	-179.1	-67.5	-178.7	-173.9	-170.7	2.9	110.8	R542 C583 Q584	R537-R542 CarbonylContact C-O 3.47Å; R537-R542 WeakPolarHBondContact CA-O 3.32Å; R537-C583 HydrophobicContact CB-CB 4.37Å; R537-C583 WeakPolarHBondContact O-CB 3.26Å; R537-C583 PolarHBondContact O-SG 2.87Å; R537-Q584 WeakPolarHBondContact CG-O 3.02Å; R537-Q584 VanDerWaalsContact CZ-OE1 3.23Å; R537-Q584 PolarHBondContact N-O 2.8Å
538	T	67.7	Low	81.8	Confident	27 Å²	27	49.4 Å²	49.4	17%	0.166	27%	0.269	C	S	.	.			trans	-82.9	174.8	168.7	66	0	0	0	0	110.7	D540 G541 R542 A544 L548	T538-D540 PolarHBondContact O-N 2.85Å; T538-G541 WeakPolarHBondContact O-CA 3.3Å; T538-G541 PolarHBondContact O-N 3.09Å; T538-R542 PolarHBondContact N-O 3.19Å; T538-R542 PolarHBondContact OG1-O 3.2Å; T538-A544 HydrophobicContact CG2-CB 4.33Å; T538-L548 HydrophobicContact CG2-CD1 3.77Å
539	A	61.7	Low	81.7	Confident	63 Å²	63	51.1 Å²	51.1	52%	0.521	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-27	176.4	0	0	0	0	0	115	V404 G541	V404-A539 HydrophobicContact CB-CB 3.41Å; V404-A539 VanDerWaalsContact CB-CB 3.41Å; V404-A539 HydrophobicContact CG1-CB 4.33Å; V404-A539 HydrophobicContact CG2-CB 3.41Å; V404-A539 VanDerWaalsContact CG2-CB 3.41Å; A539-G541 PolarHBondContact O-N 2.99Å
540	D	60.2	Low	81.5	Confident	124 Å²	124	47.8 Å²	47.8	66%	0.663	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	4.3	178.1	-57.8	-35.5	0	0	0	112.6	T538 R542	T538-D540 PolarHBondContact O-N 2.85Å; D540-R542 PolarHBondContact O-N 3.02Å
541	G	66.1	Low	81.3	Confident	44 Å²	44	52 Å²	52	45%	0.454	28%	0.277	S	S	.	.	S	Bend	trans	74.7	2.2	-178.4	0	0	0	0	0	114.5	T538 A539	T538-G541 WeakPolarHBondContact O-CA 3.3Å; T538-G541 PolarHBondContact O-N 3.09Å; A539-G541 PolarHBondContact O-N 2.99Å
542	R	71.7	Confident	81.1	Confident	192 Å²	192	50.7 Å²	50.7	73%	0.725	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-95.5	141.8	-178.7	-65.5	-178.9	178.5	162.2	0.3	110.9	R537 T538 D540	R537-R542 CarbonylContact C-O 3.47Å; R537-R542 WeakPolarHBondContact CA-O 3.32Å; T538-R542 PolarHBondContact N-O 3.19Å; T538-R542 PolarHBondContact OG1-O 3.2Å; D540-R542 PolarHBondContact O-N 3.02Å
543	S	73.3	Confident	81	Confident	57 Å²	57	52.2 Å²	52.2	40%	0.399	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-63.5	139.4	171.1	-61.3	0	0	0	0	111.3
544	A	82.6	Confident	81	Confident	9 Å²	9	52.2 Å²	52.2	7%	0.074	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.6	135.6	175.8	0	0	0	0	0	111.3	W535 G536 T538 V546 L548	W535-A544 PolarHBondContact O-N 3.27Å; G536-A544 PolarHBondContact O-N 3.29Å; T538-A544 HydrophobicContact CG2-CB 4.33Å; A544-V546 WeakPolarHBondContact CB-O 3.36Å; A544-L548 HydrophobicContact CB-CD1 3.63Å; A544-L548 HydrophobicContact CB-CG 3.79Å
545	Q	85.4	Confident	81	Confident	151 Å²	151	53.6 Å²	53.6	71%	0.706	29%	0.285	S	S	*	.	S	Bend	trans	-82.2	-25.7	176.5	-66.2	-172.9	-5.7	0	0	112.6	K460 K461	K460-Q545 WeakPolarHBondContact CA-O 3.21Å; K461-Q545 PolarHBondContact N-O 2.88Å
546	V	89.3	Confident	80.9	Confident	36 Å²	36	57 Å²	57	22%	0.218	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-118.5	155.8	176.9	-60.3	0	0	0	0	109.4	P408 W459 K460 A544 L548	P408-V546 HydrophobicContact CB-CG2 4.16Å; W459-V546 HydrophobicContact CH2-CG1 4.4Å; W459-V546 HydrophobicContact CZ2-CB 4.34Å; W459-V546 HydrophobicContact CZ2-CG1 4.02Å; W459-V546 CarbonylContact O-C 3.55Å; W459-V546 WeakPolarHBondContact O-CA 3.46Å; K460-V546 HydrophobicContact CG-CG1 4.37Å; A544-V546 WeakPolarHBondContact CB-O 3.36Å; V546-L548 HydrophobicContact CG2-CD2 4.14Å; V546-L548 PolarHBondContact O-N 3.14Å
547	L	89.8	Confident	81.1	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.042	33%	0.329	C	S	.	.			trans	-61	127.9	175.8	-178.4	64.7	0	0	0	109.9	A409 I414 Q417 W459 W535	A409-L547 HydrophobicContact CB-CB 4.39Å; A409-L547 HydrophobicContact CB-CD2 4.22Å; A409-L547 HydrophobicContact CB-CG 4.19Å; A409-L547 PolarHBondContact N-O 2.87Å; I414-L547 HydrophobicContact CB-CD2 4.26Å; I414-L547 HydrophobicContact CD1-CD2 4.34Å; Q417-L547 HydrophobicContact CB-CD2 4.46Å; Q417-L547 HydrophobicContact CG-CD1 3.95Å; Q417-L547 HydrophobicContact CG-CD2 4.23Å; W459-L547 PolarHBondContact O-N 3.47Å; W535-L547 HydrophobicContact CD2-CD1 3.98Å; W535-L547 HydrophobicContact CE3-CD1 4.22Å; W535-L547 HydrophobicContact CH2-CD1 3.94Å; W535-L547 HydrophobicContact CZ2-CB 4.11Å; W535-L547 HydrophobicContact CZ2-CD1 3.68Å; W535-L547 HydrophobicContact CZ2-CG 4.31Å; W535-L547 HydrophobicContact CZ3-CD1 4.2Å
548	L	89.6	Confident	81.7	Confident	34 Å²	34	53.3 Å²	53.3	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.3	174.5	-56.9	-176.7	0	0	0	109.7	P408 S533 G534 T538 A544 V546	P408-L548 HydrophobicContact CB-CD2 4.26Å; P408-L548 HydrophobicContact CG-CD2 4.05Å; S533-L548 VanDerWaalsContact CA-O 3.29Å; S533-L548 WeakPolarHBondContact CA-O 3.43Å; G534-L548 PolarHBondContact N-O 2.81Å; G534-L548 PolarHBondContact O-N 3.43Å; T538-L548 HydrophobicContact CG2-CD1 3.77Å; A544-L548 HydrophobicContact CB-CD1 3.63Å; A544-L548 HydrophobicContact CB-CG 3.79Å; V546-L548 HydrophobicContact CG2-CD2 4.14Å; V546-L548 PolarHBondContact O-N 3.14Å
549	W	88.5	Confident	82.5	Confident	63 Å²	63	57.4 Å²	57.4	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.2	170.9	75.7	-76.6	0	0	0	111.7	G406 I407 I414 I532 N551	G406-W549 CarbonylContact C-O 3.55Å; G406-W549 WeakPolarHBondContact CA-O 3.5Å; I407-W549 PolarHBondContact N-O 2.82Å; I407-W549 VanDerWaalsContact O-CD1 3.24Å; I407-W549 PolarHBondContact O-N 3.42Å; I414-W549 HydrophobicContact CD1-CB 3.54Å; I414-W549 HydrophobicContact CD1-CG 4.03Å; I532-W549 CarbonylContact O-C 3.6Å; I532-W549 WeakPolarHBondContact O-CA 3.36Å; I532-W549 WeakPolarHBondContact O-CB 3.34Å; W549-N551 WeakPolarHBondContact CZ3-OD1 3.49Å
550	A	86.5	Confident	83.6	Confident	9 Å²	9	58.9 Å²	58.9	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.2	-179	0	0	0	0	0	112.3	G405 S531 I532 V580	G405-A550 WeakPolarHBondContact O-CB 3.37Å; S531-A550 CarbonylContact C-O 3.59Å; S531-A550 VanDerWaalsContact CA-O 3.24Å; S531-A550 WeakPolarHBondContact CA-O 3.07Å; I532-A550 HydrophobicContact CG1-CB 4.13Å; I532-A550 PolarHBondContact N-O 2.89Å; I532-A550 PolarHBondContact O-N 3.34Å; A550-V580 HydrophobicContact CB-CG1 3.48Å; A550-V580 VanDerWaalsContact CB-CG1 3.48Å
551	N	88.1	Confident	84.7	Confident	92 Å²	92	55.1 Å²	55.1	49%	0.492	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.5	172.3	-70.9	-23.2	0	0	0	110.4	T529 C530 W549	T529-N551 HydrophobicContact CG2-CB 3.92Å; C530-N551 CarbonylContact O-C 3.59Å; C530-N551 VanDerWaalsContact O-CA 3.28Å; C530-N551 WeakPolarHBondContact O-CA 3.1Å; W549-N551 WeakPolarHBondContact CZ3-OD1 3.49Å
552	V	87.6	Confident	85.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.7	177.1	-67.3	0	0	0	0	109.6	T529 C530 I532 A573 V580 L591	T529-V552 CarbonylContact C-O 3.59Å; T529-V552 WeakPolarHBondContact CA-O 3.35Å; C530-V552 PolarHBondContact N-O 3.5Å; C530-V552 PolarHBondContact O-N 2.86Å; C530-V552 VanDerWaalsContact O-O 3.11Å; I532-V552 HydrophobicContact CD1-CG1 3.89Å; I532-V552 HydrophobicContact CG1-CG1 4.17Å; I532-V552 HydrophobicContact CG2-CG2 3.86Å; V552-A573 HydrophobicContact CB-CB 4.47Å; V552-A573 HydrophobicContact CG2-CB 3.99Å; V552-V580 HydrophobicContact CG1-CB 4.49Å; V552-V580 HydrophobicContact CG1-CG1 3.69Å; V552-L591 HydrophobicContact CG2-CD1 3.48Å; V552-L591 VanDerWaalsContact CG2-CD1 3.48Å
553	S	90.4	Very high	86.3	Confident	45 Å²	45	52 Å²	52	32%	0.315	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.1	176.8	-66.2	0	0	0	0	110.8	H528 A573 G574	H528-S553 WeakPolarHBondContact O-CA 3.5Å; S553-A573 VanDerWaalsContact O-CA 3.27Å; S553-A573 WeakPolarHBondContact O-CA 3.41Å; S553-G574 PolarHBondContact N-O 3.44Å; S553-G574 VanDerWaalsContact N-O 3.13Å; S553-G574 PolarHBondContact O-N 3.42Å
554	L	91.3	Very high	86.9	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133	173	-60.2	-170	0	0	0	110.5	F524 N527 H528 M571 A573 L591	F524-L554 HydrophobicContact CB-CD1 3.92Å; N527-L554 WeakPolarHBondContact CA-O 3.29Å; N527-L554 PolarHBondContact N-O 3.24Å; H528-L554 HydrophobicContact CB-CD1 4.1Å; H528-L554 HydrophobicContact CB-CG 4.35Å; H528-L554 WeakPolarHBondContact O-CG 3.41Å; H528-L554 PolarHBondContact O-N 3.25Å; L554-M571 HydrophobicContact CD2-CE 3.47Å; L554-M571 VanDerWaalsContact CD2-CE 3.47Å; L554-A573 HydrophobicContact CD2-CB 4Å; L554-L591 HydrophobicContact CD2-CD2 4.14Å
555	I	89.5	Confident	87.1	Confident	32 Å²	32	60.5 Å²	60.5	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.7	-176.4	-63.8	163.9	0	0	0	109.3	C572 L576 P618	I555-C572 HydrophobicContact CB-CB 4.22Å; I555-C572 PolarHBondContact N-O 3.32Å; I555-L576 HydrophobicContact CD1-CD2 3.78Å; I555-L576 HydrophobicContact CD1-CG 4.43Å; I555-L576 HydrophobicContact CG1-CD2 4.05Å; I555-L576 HydrophobicContact CG2-CD2 4.42Å; I555-P618 HydrophobicContact CD1-CB 3.53Å; I555-P618 HydrophobicContact CD1-CG 3.98Å
556	S	87.2	Confident	87.2	Confident	78 Å²	78	54.9 Å²	54.9	55%	0.545	30%	0.295	S	S	.	.	S	Bend	trans	-95.4	161	173.5	57.1	0	0	0	0	111.7
557	G	84	Confident	87.4	Confident	41 Å²	41	56.2 Å²	56.2	42%	0.423	30%	0.298	S	S	.	.			trans	72.5	27.9	175.3	0	0	0	0	0	114.3	E559 S560	G557-E559 WeakPolarHBondContact CA-OE2 3.14Å; G557-E559 PolarHBondContact O-N 3.1Å; G557-S560 WeakPolarHBondContact O-CB 3.29Å; G557-S560 PolarHBondContact O-N 2.9Å; G557-S560 PolarHBondContact O-OG 3.21Å
558	C	84.8	Confident	87.4	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.027	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.1	-177.6	-125.2	0	0	0	0	113.8	S560 S561 Y562 F566 C572	C558-S560 PolarHBondContact O-N 2.71Å; C558-S561 PolarHBondContact O-N 3.28Å; C558-Y562 PolarHBondContact O-N 2.6Å; C558-Y562 VanDerWaalsContact O-N 3.13Å; C558-F566 HydrophobicContact CB-CD2 4.04Å; C558-F566 HydrophobicContact CB-CE2 3.71Å; C558-F566 HydrophobicContact CB-CZ 4Å; C558-C572 HydrophobicContact CB-CB 3.83Å; C558-C572 WeakPolarHBondContact CB-SG 3.34Å; C558-C572 WeakPolarHBondContact SG-CB 3.16Å; C558-C572 CovalentContact SG-SG 2.01Å; C558-C572 PolarHBondContact SG-SG 2.95Å
559	E	85.9	Confident	87.5	Confident	112 Å²	112	59.4 Å²	59.4	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-57	-30.9	169.1	-59	87.5	176.8	0	0	111.7	G557 K563 F566	G557-E559 WeakPolarHBondContact CA-OE2 3.14Å; G557-E559 PolarHBondContact O-N 3.1Å; E559-K563 WeakPolarHBondContact O-CA 3.25Å; E559-K563 PolarHBondContact O-N 3Å; E559-F566 HydrophobicContact CG-CD1 3.8Å; E559-F566 HydrophobicContact CG-CE1 4.36Å
560	S	84.6	Confident	87.8	Confident	94 Å²	94	57 Å²	57	66%	0.657	32%	0.315	S	S	*	.	H	α-helix	trans	-68.1	-40.9	179.3	64.9	0	0	0	0	112.5	G557 C558	G557-S560 WeakPolarHBondContact O-CB 3.29Å; G557-S560 PolarHBondContact O-N 2.9Å; G557-S560 PolarHBondContact O-OG 3.21Å; C558-S560 PolarHBondContact O-N 2.71Å
561	S	82.9	Confident	88.2	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-73.6	-42.1	179.5	-63.2	0	0	0	0	112.4	C558 G616	C558-S561 PolarHBondContact O-N 3.28Å; S561-G616 PolarHBondContact OG-O 3.4Å
562	Y	84.1	Confident	88.3	Confident	14 Å²	14	53.1 Å²	53.1	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-107.1	-7.9	-170.6	-67	-66.8	0	0	0	114.7	C558 H564 R565 W608 F617 P618 V620	C558-Y562 PolarHBondContact O-N 2.6Å; C558-Y562 VanDerWaalsContact O-N 3.13Å; Y562-H564 PolarHBondContact O-N 3.27Å; Y562-R565 WeakPolarHBondContact O-CB 3.36Å; Y562-R565 PolarHBondContact O-N 2.91Å; Y562-R565 VanDerWaalsContact O-N 3.11Å; Y562-W608 AromaticContact CD1-CH2 3.62Å; Y562-W608 HydrophobicContact CD1-CH2 3.62Å; Y562-W608 AromaticContact CD1-CZ3 3.94Å; Y562-W608 HydrophobicContact CD1-CZ3 3.94Å; Y562-W608 AromaticContact CE1-CH2 3.98Å; Y562-W608 HydrophobicContact CE1-CH2 3.98Å; Y562-W608 AromaticContact CE1-CZ3 3.88Å; Y562-W608 HydrophobicContact CE1-CZ3 3.88Å; Y562-W608 HydrophobicContact CG-CH2 4.01Å; Y562-F617 HydrophobicContact CD1-CD1 4.34Å; Y562-F617 AromaticContact CE1-CD1 3.71Å; Y562-F617 HydrophobicContact CE1-CD1 3.71Å; Y562-F617 HydrophobicContact CE1-CE1 4.48Å; Y562-F617 VanDerWaalsContact OH-C 3.29Å; Y562-P618 HydrophobicContact CE2-CG 4.35Å; Y562-P618 WeakPolarHBondContact CE2-O 3.33Å; Y562-P618 PolarHBondContact OH-O 2.87Å; Y562-V620 HydrophobicContact CD2-CG2 4.05Å; Y562-V620 HydrophobicContact CE2-CG2 3.59Å
563	K	87.6	Confident	88.4	Confident	156 Å²	156	53 Å²	53	68%	0.678	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	49.9	-126.5	179	-57.8	179.5	-179.1	177.7	0	111.1	E559 R565 F566	E559-K563 WeakPolarHBondContact O-CA 3.25Å; E559-K563 PolarHBondContact O-N 3Å; K563-R565 PolarHBondContact O-N 3.39Å; K563-R565 VanDerWaalsContact O-N 3.16Å; K563-F566 PolarHBondContact O-N 2.9Å
564	H	85.4	Confident	88	Confident	149 Å²	149	50.9 Å²	50.9	69%	0.69	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-67.1	-12.3	-176.3	65.4	-85.1	0	0	0	114.9	Y562 K567	Y562-H564 PolarHBondContact O-N 3.27Å; H564-K567 WeakPolarHBondContact O-CE 3.5Å; H564-K567 PolarHBondContact O-NZ 2.89Å
565	R	86.2	Confident	87.2	Confident	96 Å²	96	52.9 Å²	52.9	36%	0.362	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-79.9	-20.9	176.6	-66.9	-172.9	65.6	-169	-5.5	112.7	Y562 K563 W608 E610	Y562-R565 WeakPolarHBondContact O-CB 3.36Å; Y562-R565 PolarHBondContact O-N 2.91Å; Y562-R565 VanDerWaalsContact O-N 3.11Å; K563-R565 PolarHBondContact O-N 3.39Å; K563-R565 VanDerWaalsContact O-N 3.16Å; R565-W608 HydrophobicContact CB-CH2 4.14Å; R565-W608 HydrophobicContact CB-CZ2 4.48Å; R565-E610 IonicContact CZ-OE2 3.33Å; R565-E610 IonicContact NH1-OE1 3.2Å; R565-E610 IonicContact NH1-OE2 3.43Å; R565-E610 PolarHBondContact NH1-OE2 3.18Å; R565-E610 IonicContact NH2-OE2 3.5Å
566	F	89	Confident	85.8	Confident	33 Å²	33	57.1 Å²	57.1	15%	0.145	31%	0.31	C	S	.	.			trans	-81.2	128.6	174.6	-163.2	-98.9	0	0	0	109.8	C558 E559 K563 M570	C558-F566 HydrophobicContact CB-CD2 4.04Å; C558-F566 HydrophobicContact CB-CE2 3.71Å; C558-F566 HydrophobicContact CB-CZ 4Å; E559-F566 HydrophobicContact CG-CD1 3.8Å; E559-F566 HydrophobicContact CG-CE1 4.36Å; K563-F566 PolarHBondContact O-N 2.9Å; F566-M570 HydrophobicContact CD2-CB 4.11Å; F566-M570 HydrophobicContact CE2-CB 3.7Å; F566-M570 HydrophobicContact CZ-CB 3.96Å; F566-M570 WeakPolarHBondContact CZ-O 3.31Å
567	K	91.9	Very high	84.5	Confident	64 Å²	64	59.6 Å²	59.6	28%	0.278	31%	0.313	S	S	.	.			trans	-126.3	157.1	-173	-62.5	-69.4	-170	-168.1	0	110.8	E488 H564 G569 M570	E488-K567 HydrophobicContact CG-CB 3.74Å; E488-K567 HydrophobicContact CG-CD 4.27Å; E488-K567 HydrophobicContact CG-CG 3.52Å; E488-K567 WeakPolarHBondContact OE1-CE 3.38Å; H564-K567 WeakPolarHBondContact O-CE 3.5Å; H564-K567 PolarHBondContact O-NZ 2.89Å; K567-G569 PolarHBondContact O-N 3.26Å; K567-M570 HydrophobicContact CB-CE 4.07Å; K567-M570 HydrophobicContact CB-CG 4.49Å; K567-M570 HydrophobicContact CB-SD 4.07Å; K567-M570 HydrophobicContact CG-CE 4.35Å; K567-M570 VanDerWaalsContact O-CB 3.3Å; K567-M570 WeakPolarHBondContact O-CB 3.24Å; K567-M570 WeakPolarHBondContact O-CG 3.39Å; K567-M570 PolarHBondContact O-N 3.33Å; K567-M570 VanDerWaalsContact O-N 3.13Å
568	P	91.2	Very high	83.3	Confident	104 Å²	104	58.1 Å²	58.1	68%	0.675	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	140.7	173.6	-25.4	35.1	0	0	0	111.9	M570	P568-M570 VanDerWaalsContact C-N 3.3Å
569	G	91.1	Very high	82.1	Confident	6 Å²	6	63 Å²	63	6%	0.062	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	1.9	-175.6	0	0	0	0	0	114.6	K567 Q623	K567-G569 PolarHBondContact O-N 3.26Å; G569-Q623 WeakPolarHBondContact O-CB 3.47Å; G569-Q623 PolarHBondContact O-N 3.07Å
570	M	94.5	Very high	81	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.064	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	154.5	166.7	-60.4	-177.3	174.5	0	0	110.9	T486 Y487 E488 F566 K567 P568 W608 V620 Y621	T486-M570 WeakPolarHBondContact O-CE 2.96Å; Y487-M570 VanDerWaalsContact O-CE 3.27Å; Y487-M570 WeakPolarHBondContact O-CE 3.21Å; E488-M570 HydrophobicContact CG-CE 4.42Å; F566-M570 HydrophobicContact CD2-CB 4.11Å; F566-M570 HydrophobicContact CE2-CB 3.7Å; F566-M570 HydrophobicContact CZ-CB 3.96Å; F566-M570 WeakPolarHBondContact CZ-O 3.31Å; K567-M570 HydrophobicContact CB-CE 4.07Å; K567-M570 HydrophobicContact CB-CG 4.49Å; K567-M570 HydrophobicContact CB-SD 4.07Å; K567-M570 HydrophobicContact CG-CE 4.35Å; K567-M570 VanDerWaalsContact O-CB 3.3Å; K567-M570 WeakPolarHBondContact O-CB 3.24Å; K567-M570 WeakPolarHBondContact O-CG 3.39Å; K567-M570 PolarHBondContact O-N 3.33Å; K567-M570 VanDerWaalsContact O-N 3.13Å; P568-M570 VanDerWaalsContact C-N 3.3Å; M570-W608 HydrophobicContact SD-CZ2 4.35Å; M570-V620 HydrophobicContact CB-CG1 4.01Å; M570-V620 HydrophobicContact CG-CG1 4.3Å; M570-V620 HydrophobicContact SD-CG1 4.06Å; M570-Y621 CarbonylContact C-O 3.56Å; M570-Y621 WeakPolarHBondContact CA-O 3.3Å
571	M	93.9	Very high	79.8	Confident	16 Å²	16	55.6 Å²	55.6	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.2	173.9	60.2	163.9	-71.2	0	0	110.5	L554 L591 W603 Y621 Q623	L554-M571 HydrophobicContact CD2-CE 3.47Å; L554-M571 VanDerWaalsContact CD2-CE 3.47Å; M571-L591 HydrophobicContact CE-CD2 3.48Å; M571-L591 VanDerWaalsContact CE-CD2 3.48Å; M571-L591 HydrophobicContact SD-CD2 4.23Å; M571-W603 VanDerWaalsContact CE-CD1 3.44Å; M571-W603 VanDerWaalsContact SD-CD1 3.53Å; M571-W603 HydrophobicContact SD-CG 4.27Å; M571-Y621 WeakPolarHBondContact CG-O 3.48Å; M571-Y621 PolarHBondContact N-O 3.05Å; M571-Y621 PolarHBondContact O-N 3.04Å; M571-Q623 HydrophobicContact CB-CB 4.15Å; M571-Q623 HydrophobicContact CG-CB 3.84Å; M571-Q623 HydrophobicContact CG-CG 4.33Å; M571-Q623 HydrophobicContact SD-CB 4.11Å; M571-Q623 HydrophobicContact SD-CG 4.05Å
572	C	91.2	Very high	78.8	Confident	2 Å²	2	54 Å²	54	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.3	179	-70.6	0	0	0	0	112	I555 C558 P618 G619	I555-C572 HydrophobicContact CB-CB 4.22Å; I555-C572 PolarHBondContact N-O 3.32Å; C558-C572 HydrophobicContact CB-CB 3.83Å; C558-C572 WeakPolarHBondContact CB-SG 3.34Å; C558-C572 WeakPolarHBondContact SG-CB 3.16Å; C558-C572 CovalentContact SG-SG 2.01Å; C558-C572 PolarHBondContact SG-SG 2.95Å; C572-P618 HydrophobicContact CB-CB 4.3Å; C572-P618 HydrophobicContact CB-CG 3.87Å; C572-G619 WeakPolarHBondContact CA-O 3.03Å
573	A	89.1	Confident	78	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149	169.6	0	0	0	0	0	109.6	V552 S553 L554 L591 G619 Y621	V552-A573 HydrophobicContact CB-CB 4.47Å; V552-A573 HydrophobicContact CG2-CB 3.99Å; S553-A573 VanDerWaalsContact O-CA 3.27Å; S553-A573 WeakPolarHBondContact O-CA 3.41Å; L554-A573 HydrophobicContact CD2-CB 4Å; A573-L591 HydrophobicContact CB-CD1 4.13Å; A573-L591 HydrophobicContact CB-CD2 3.92Å; A573-G619 PolarHBondContact N-O 2.99Å; A573-G619 PolarHBondContact O-N 2.88Å; A573-Y621 HydrophobicContact CB-CD2 4.11Å; A573-Y621 HydrophobicContact CB-CE2 3.76Å
574	G	82.6	Confident	76.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-175.9	177.5	0	0	0	0	0	111.8	S553	S553-G574 PolarHBondContact N-O 3.44Å; S553-G574 VanDerWaalsContact N-O 3.13Å; S553-G574 PolarHBondContact O-N 3.42Å
575	D	73.9	Confident	75.7	Confident	51 Å²	51	46.8 Å²	46.8	27%	0.273	24%	0.244	S	C	.	.			trans	-89.9	130.2	164.2	179.7	18.6	0	0	0	109.7	E577 G578 H579 V580	D575-E577 PolarHBondContact O-N 2.92Å; D575-E577 PolarHBondContact OD1-N 3.43Å; D575-E577 VanDerWaalsContact OD1-N 3.13Å; D575-G578 PolarHBondContact O-N 3.44Å; D575-H579 VanDerWaalsContact OD2-CB 3.23Å; D575-H579 WeakPolarHBondContact OD2-CB 2.92Å; D575-H579 IonicContact OD2-CG 2.72Å; D575-H579 PolarHBondContact OD2-N 3.45Å; D575-H579 IonicContact OD2-ND1 3.4Å; D575-H579 PolarHBondContact OD2-ND1 3.23Å; D575-V580 HydrophobicContact CB-CB 4.27Å; D575-V580 PolarHBondContact N-O 3.37Å; D575-V580 VanDerWaalsContact N-O 3.15Å
576	L	61.4	Low	75.2	Confident	120 Å²	120	43.3 Å²	43.3	63%	0.628	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.7	176.6	-69.1	173.4	0	0	0	111.9	I555 G578	I555-L576 HydrophobicContact CD1-CD2 3.78Å; I555-L576 HydrophobicContact CD1-CG 4.43Å; I555-L576 HydrophobicContact CG1-CD2 4.05Å; I555-L576 HydrophobicContact CG2-CD2 4.42Å; L576-G578 VanDerWaalsContact C-N 3.31Å
577	E	59.3	Low	75	Confident	131 Å²	131	43 Å²	43	61%	0.612	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.7	174.6	-57.7	-177.2	170	0	0	112.7	D575 H579	D575-E577 PolarHBondContact O-N 2.92Å; D575-E577 PolarHBondContact OD1-N 3.43Å; D575-E577 VanDerWaalsContact OD1-N 3.13Å; E577-H579 WeakPolarHBondContact CB-CE1 3.48Å; E577-H579 VanDerWaalsContact CB-ND1 3.27Å; E577-H579 WeakPolarHBondContact CB-ND1 3.41Å; E577-H579 IonicContact OE2-CE1 2.75Å; E577-H579 PolarHBondContact OE2-CE1 3.34Å; E577-H579 IonicContact OE2-ND1 2.66Å; E577-H579 PolarHBondContact OE2-ND1 3.41Å
578	G	58.6	Low	74.8	Confident	10 Å²	10	40 Å²	40	10%	0.103	22%	0.222	C	C	.	.	S	Bend	trans	79	11.3	174.9	0	0	0	0	0	115.4	D575 L576 V580 G613	D575-G578 PolarHBondContact O-N 3.44Å; L576-G578 VanDerWaalsContact C-N 3.31Å; G578-V580 VanDerWaalsContact C-N 3.34Å; G578-V580 PolarHBondContact O-N 3.11Å; G578-G613 CarbonylContact O-C 3.25Å; G578-G613 VanDerWaalsContact O-CA 3.24Å; G578-G613 WeakPolarHBondContact O-CA 3.37Å
579	H	60.5	Low	74.8	Confident	107 Å²	107	35 Å²	35	50%	0.495	19%	0.19	S	C	.	.	S	Bend	trans	-77	-21.2	-177.3	-57.5	100.5	0	0	0	114	V404 G405 D575 E577	V404-H579 WeakPolarHBondContact CG1-O 3.43Å; G405-H579 PolarHBondContact N-O 2.7Å; D575-H579 VanDerWaalsContact OD2-CB 3.23Å; D575-H579 WeakPolarHBondContact OD2-CB 2.92Å; D575-H579 IonicContact OD2-CG 2.72Å; D575-H579 PolarHBondContact OD2-N 3.45Å; D575-H579 IonicContact OD2-ND1 3.4Å; D575-H579 PolarHBondContact OD2-ND1 3.23Å; E577-H579 WeakPolarHBondContact CB-CE1 3.48Å; E577-H579 VanDerWaalsContact CB-ND1 3.27Å; E577-H579 WeakPolarHBondContact CB-ND1 3.41Å; E577-H579 IonicContact OE2-CE1 2.75Å; E577-H579 PolarHBondContact OE2-CE1 3.34Å; E577-H579 IonicContact OE2-ND1 2.66Å; E577-H579 PolarHBondContact OE2-ND1 3.41Å
580	V	62.4	Low	75	Confident	31 Å²	31	34.8 Å²	34.8	19%	0.188	19%	0.187	C	C	.	.	S	Bend	trans	-138.3	119.7	-175.7	-177.8	0	0	0	0	110	G405 A550 V552 D575 G578	G405-V580 WeakPolarHBondContact O-CG1 3.29Å; A550-V580 HydrophobicContact CB-CG1 3.48Å; A550-V580 VanDerWaalsContact CB-CG1 3.48Å; V552-V580 HydrophobicContact CG1-CB 4.49Å; V552-V580 HydrophobicContact CG1-CG1 3.69Å; D575-V580 HydrophobicContact CB-CB 4.27Å; D575-V580 PolarHBondContact N-O 3.37Å; D575-V580 VanDerWaalsContact N-O 3.15Å; G578-V580 VanDerWaalsContact C-N 3.34Å; G578-V580 PolarHBondContact O-N 3.11Å
581	D	58.6	Low	75.1	Confident	18 Å²	18	34.2 Å²	34.2	10%	0.096	18%	0.184	C	C	.	.			trans	-155.2	158.3	178.9	-169.7	16.6	0	0	0	110.2	G613 G619	D581-G613 PolarHBondContact OD2-N 2.87Å; D581-G619 WeakPolarHBondContact OD1-CA 3.34Å; D581-G619 PolarHBondContact OD1-N 3.08Å
582	S	62.9	Low	75.1	Confident	13 Å²	13	33.6 Å²	33.6	9%	0.091	18%	0.182	C	C	.	.			trans	-74.3	145.2	172.6	62.1	0	0	0	0	111.6	Y621	S582-Y621 WeakPolarHBondContact CB-OH 3.41Å; S582-Y621 PolarHBondContact OG-OH 3.34Å
583	C	67.1	Low	75.3	Confident	21 Å²	21	33.6 Å²	33.6	14%	0.142	18%	0.181	C	C	.	.			trans	-121.4	172.5	-175.1	-92.5	0	0	0	0	114.1	R537 G585 D586 C612	R537-C583 HydrophobicContact CB-CB 4.37Å; R537-C583 WeakPolarHBondContact O-CB 3.26Å; R537-C583 PolarHBondContact O-SG 2.87Å; C583-G585 PolarHBondContact O-N 2.68Å; C583-D586 PolarHBondContact N-OD2 2.97Å; C583-D586 WeakPolarHBondContact O-CB 3.27Å; C583-D586 PolarHBondContact O-N 2.87Å; C583-C612 WeakPolarHBondContact CA-SG 3.44Å; C583-C612 HydrophobicContact CB-CB 4.35Å; C583-C612 WeakPolarHBondContact CB-SG 3.29Å; C583-C612 WeakPolarHBondContact SG-CB 3.38Å; C583-C612 CovalentContact SG-SG 2.03Å; C583-C612 PolarHBondContact SG-SG 2.91Å
584	Q	60.1	Low	75.4	Confident	122 Å²	122	38.6 Å²	38.6	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	126	169.3	-72.4	-176.1	-9.9	0	0	110.6	G536 R537	G536-Q584 CarbonylContact C-O 3.58Å; G536-Q584 VanDerWaalsContact CA-O 3.28Å; G536-Q584 WeakPolarHBondContact CA-O 3.27Å; R537-Q584 WeakPolarHBondContact CG-O 3.02Å; R537-Q584 VanDerWaalsContact CZ-OE1 3.23Å; R537-Q584 PolarHBondContact N-O 2.8Å
585	G	64.1	Low	75.8	Confident	23 Å²	23	39.2 Å²	39.2	24%	0.237	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-1.9	-175.3	0	0	0	0	0	115	G536 C583	G536-G585 VanDerWaalsContact CA-C 3.44Å; C583-G585 PolarHBondContact O-N 2.68Å
586	D	76.7	Confident	76.5	Confident	23 Å²	23	39.8 Å²	39.8	12%	0.123	21%	0.209	C	C	.	.			trans	-93.4	-3.8	162.4	-62	-47.1	0	0	0	112.2	G534 W535 G536 C583 G588 G589 V606	G534-D586 VanDerWaalsContact C-OD1 3.3Å; G534-D586 VanDerWaalsContact CA-OD1 3.27Å; G534-D586 WeakPolarHBondContact CA-OD1 3.32Å; W535-D586 PolarHBondContact N-OD1 2.98Å; G536-D586 VanDerWaalsContact CA-OD1 3.23Å; G536-D586 WeakPolarHBondContact CA-OD1 3.27Å; G536-D586 PolarHBondContact N-OD1 2.03Å; C583-D586 PolarHBondContact N-OD2 2.97Å; C583-D586 WeakPolarHBondContact O-CB 3.27Å; C583-D586 PolarHBondContact O-N 2.87Å; D586-G588 PolarHBondContact O-N 3.4Å; D586-G589 VanDerWaalsContact O-CA 3.27Å; D586-G589 WeakPolarHBondContact O-CA 3.4Å; D586-G589 PolarHBondContact O-N 2.83Å; D586-V606 HydrophobicContact CB-CG1 4.46Å; D586-V606 WeakPolarHBondContact O-CB 3.34Å
587	S	84.1	Confident	77.6	Confident	26 Å²	26	37.5 Å²	37.5	18%	0.182	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	135.3	176.4	-75.4	0	0	0	0	112.4	C428 G429 H443 G589	C428-S587 CarbonylContact C-O 3.6Å; C428-S587 VanDerWaalsContact CA-O 3.26Å; C428-S587 WeakPolarHBondContact CA-O 3.41Å; C428-S587 VanDerWaalsContact CB-O 3.29Å; C428-S587 WeakPolarHBondContact CB-O 3.39Å; G429-S587 PolarHBondContact N-O 3.02Å; H443-S587 WeakPolarHBondContact NE2-CB 3.34Å; H443-S587 PolarHBondContact NE2-OG 3.33Å; H443-S587 VanDerWaalsContact NE2-OG 3.09Å; S587-G589 PolarHBondContact O-N 3.14Å; S587-G589 VanDerWaalsContact O-N 3.14Å
588	G	88.2	Confident	78.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-9.2	-174.4	0	0	0	0	0	114.4	G429 G430 D586 V606	G429-G588 VanDerWaalsContact C-C 3.44Å; G429-G588 CarbonylContact C-O 3.44Å; G429-G588 VanDerWaalsContact C-O 3.25Å; G429-G588 CarbonylContact O-C 3.58Å; G429-G588 WeakPolarHBondContact O-CA 3.02Å; G430-G588 VanDerWaalsContact CA-O 3.27Å; G430-G588 WeakPolarHBondContact CA-O 3.48Å; G430-G588 PolarHBondContact N-O 3.14Å; D586-G588 PolarHBondContact O-N 3.4Å; G588-V606 PolarHBondContact N-O 2.73Å
589	G	91.6	Very high	80.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.01	18%	0.176	C	C	.	.			trans	-64.5	154.9	175.3	0	0	0	0	0	112.5	D586 S587 V606	D586-G589 VanDerWaalsContact O-CA 3.27Å; D586-G589 WeakPolarHBondContact O-CA 3.4Å; D586-G589 PolarHBondContact O-N 2.83Å; S587-G589 PolarHBondContact O-N 3.14Å; S587-G589 VanDerWaalsContact O-N 3.14Å; G589-V606 WeakPolarHBondContact O-CG2 3.31Å; G589-V606 PolarHBondContact O-N 2.68Å
590	P	95.2	Very high	81.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.8	-174.3	34.8	-35.5	0	0	0	113.1	A431 V592 L602	A431-P590 HydrophobicContact CB-CB 3.84Å; A431-P590 HydrophobicContact CB-CG 4.42Å; P590-V592 HydrophobicContact CB-CG2 3.89Å; P590-V592 HydrophobicContact CG-CG2 4.43Å; P590-L602 HydrophobicContact CB-CD1 3.31Å
591	L	95	Very high	83.3	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.6	159.7	174.6	74.4	0	0	0	107.6	C530 S531 I532 V552 L554 M571 A573 W603 G604 Y621	C530-L591 HydrophobicContact CB-CD1 3.79Å; C530-L591 HydrophobicContact CB-CG 4.28Å; S531-L591 CarbonylContact O-C 3.57Å; S531-L591 WeakPolarHBondContact O-CA 3.5Å; I532-L591 HydrophobicContact CG2-CB 4.18Å; I532-L591 HydrophobicContact CG2-CD1 3.31Å; I532-L591 HydrophobicContact CG2-CG 4.36Å; V552-L591 HydrophobicContact CG2-CD1 3.48Å; V552-L591 VanDerWaalsContact CG2-CD1 3.48Å; L554-L591 HydrophobicContact CD2-CD2 4.14Å; M571-L591 HydrophobicContact CE-CD2 3.48Å; M571-L591 VanDerWaalsContact CE-CD2 3.48Å; M571-L591 HydrophobicContact SD-CD2 4.23Å; A573-L591 HydrophobicContact CB-CD1 4.13Å; A573-L591 HydrophobicContact CB-CD2 3.92Å; L591-W603 PolarHBondContact O-N 2.97Å; L591-G604 PolarHBondContact N-O 3.14Å; L591-G604 PolarHBondContact O-N 3.15Å; L591-G604 VanDerWaalsContact O-N 3.11Å; L591-Y621 HydrophobicContact CB-CD1 3.79Å; L591-Y621 HydrophobicContact CB-CE1 3.89Å; L591-Y621 HydrophobicContact CD1-CE1 4.41Å; L591-Y621 HydrophobicContact CD2-CD1 4.07Å; L591-Y621 HydrophobicContact CD2-CD2 4.46Å; L591-Y621 HydrophobicContact CD2-CE1 4.38Å; L591-Y621 HydrophobicContact CD2-CG 4.13Å; L591-Y621 HydrophobicContact CG-CD1 4.45Å; L591-Y621 HydrophobicContact CG-CE1 4.46Å
592	V	95.4	Very high	85.1	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.9	-173.1	-179.1	0	0	0	0	110.9	W416 V515 C530 S531 P590 Y601 L602	W416-V592 HydrophobicContact CZ2-CG1 3.94Å; V515-V592 HydrophobicContact CG2-CG1 4.09Å; V515-V592 HydrophobicContact CG2-CG2 4.31Å; C530-V592 WeakPolarHBondContact CB-O 3.28Å; S531-V592 PolarHBondContact N-O 2.93Å; S531-V592 PolarHBondContact O-N 3.49Å; S531-V592 PolarHBondContact OG-O 2.87Å; S531-V592 VanDerWaalsContact OG-O 3.11Å; P590-V592 HydrophobicContact CB-CG2 3.89Å; P590-V592 HydrophobicContact CG-CG2 4.43Å; V592-Y601 CarbonylContact C-O 3.55Å; V592-Y601 VanDerWaalsContact CA-O 3.27Å; V592-Y601 WeakPolarHBondContact CA-O 3.35Å; V592-Y601 WeakPolarHBondContact CG1-O 3.46Å; V592-L602 HydrophobicContact CG2-CD1 4.35Å
593	C	94.2	Very high	86.7	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.8	176.4	-51.6	0	0	0	0	109.7	F524 C530 Y601 W603	F524-C593 HydrophobicContact CD1-CB 3.89Å; F524-C593 HydrophobicContact CD2-CB 3.71Å; F524-C593 HydrophobicContact CE1-CB 3.84Å; F524-C593 HydrophobicContact CE2-CB 3.67Å; F524-C593 HydrophobicContact CG-CB 3.82Å; F524-C593 HydrophobicContact CZ-CB 3.73Å; C530-C593 HydrophobicContact CB-CB 4.02Å; C530-C593 WeakPolarHBondContact CB-SG 3.23Å; C530-C593 WeakPolarHBondContact SG-CB 3.42Å; C530-C593 CovalentContact SG-SG 2.03Å; C530-C593 PolarHBondContact SG-SG 2.82Å; C593-Y601 PolarHBondContact N-O 2.98Å; C593-Y601 PolarHBondContact O-N 3.43Å; C593-W603 HydrophobicContact CB-CB 4.22Å; C593-W603 WeakPolarHBondContact SG-CB 3.36Å; C593-W603 VanDerWaalsContact SG-CD1 3.57Å; C593-W603 VanDerWaalsContact SG-CG 3.57Å
594	Q	92.2	Very high	88.1	Confident	106 Å²	106	23.8 Å²	23.8	50%	0.495	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.4	-175.5	-167.9	176.3	12.5	0	0	110.2	H528 G598 V599	H528-Q594 PolarHBondContact CE1-O 3.24Å; H528-Q594 PolarHBondContact NE2-O 3.14Å; Q594-G598 VanDerWaalsContact NE2-C 3.31Å; Q594-G598 PolarHBondContact NE2-O 3.23Å; Q594-V599 WeakPolarHBondContact CA-O 3.37Å
595	D	89.7	Confident	89.8	Confident	14 Å²	14	18.1 Å²	18.1	8%	0.075	11%	0.105	C	C	.	.			trans	-77.8	176.9	176	73.3	11.7	0	0	0	112.6	F524 L597 G598 V599 Y601	F524-D595 HydrophobicContact CE1-CB 4.44Å; D595-L597 PolarHBondContact O-N 3.02Å; D595-L597 WeakPolarHBondContact OD1-CA 3.27Å; D595-L597 PolarHBondContact OD1-N 2.81Å; D595-G598 PolarHBondContact O-N 2.9Å; D595-G598 VanDerWaalsContact O-N 3.09Å; D595-G598 PolarHBondContact OD1-N 2.99Å; D595-V599 PolarHBondContact N-O 2.91Å; D595-V599 PolarHBondContact OD1-N 3.37Å; D595-V599 WeakPolarHBondContact OD2-CB 3.39Å; D595-Y601 HydrophobicContact CB-CE2 4.37Å
596	E	88.4	Confident	91.2	Very high	63 Å²	63	17.3 Å²	17.3	29%	0.294	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.7	-177.5	-64.4	-86.7	-160.1	0	0	112.5	R310 D329 A331 A334 R337 G598	R310-E596 IonicContact CZ-OE1 2.58Å; R310-E596 IonicContact NE-OE1 3.05Å; R310-E596 PolarHBondContact NE-OE1 2.63Å; R310-E596 IonicContact NH2-OE1 3.98Å; R310-E596 PolarHBondContact NH2-OE1 3.23Å; D329-E596 HydrophobicContact CB-CG 4.47Å; D329-E596 WeakPolarHBondContact O-CB 3.46Å; D329-E596 PolarHBondContact O-N 3.22Å; D329-E596 VanDerWaalsContact O-N 3.08Å; A331-E596 HydrophobicContact CB-CG 4.07Å; A334-E596 HydrophobicContact CB-CB 3.91Å; R337-E596 IonicContact CZ-OE1 2.94Å; R337-E596 IonicContact NE-OE1 2.8Å; R337-E596 PolarHBondContact NE-OE1 3.42Å; R337-E596 VanDerWaalsContact NE-OE1 3.17Å; R337-E596 IonicContact NH2-OE1 3.85Å; R337-E596 PolarHBondContact NH2-OE1 2.85Å; E596-G598 VanDerWaalsContact C-N 3.34Å
597	L	85.4	Confident	91.9	Very high	72 Å²	72	16.4 Å²	16.4	38%	0.377	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.6	175.4	-58.9	177.7	0	0	0	112.7	I325 E333 D595	I325-L597 HydrophobicContact CD1-CD1 3.32Å; I325-L597 HydrophobicContact CG1-CD1 3.82Å; E333-L597 HydrophobicContact CB-CD2 4.48Å; D595-L597 PolarHBondContact O-N 3.02Å; D595-L597 WeakPolarHBondContact OD1-CA 3.27Å; D595-L597 PolarHBondContact OD1-N 2.81Å
598	G	87.3	Confident	92.1	Very high	23 Å²	23	16.1 Å²	16.1	24%	0.237	9%	0.086	C	C	.	.			trans	87.1	12.3	176.9	0	0	0	0	0	115	Q594 D595 E596	Q594-G598 VanDerWaalsContact NE2-C 3.31Å; Q594-G598 PolarHBondContact NE2-O 3.23Å; D595-G598 PolarHBondContact O-N 2.9Å; D595-G598 VanDerWaalsContact O-N 3.09Å; D595-G598 PolarHBondContact OD1-N 2.99Å; E596-G598 VanDerWaalsContact C-N 3.34Å
599	V	88.7	Confident	91.7	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.03	11%	0.106	C	C	.	.			trans	-82.2	132.6	175.8	-174.7	0	0	0	0	110	I380 C516 Q594 D595 Y601	I380-V599 HydrophobicContact CG1-CG2 4.48Å; C516-V599 VanDerWaalsContact SG-CG1 3.51Å; Q594-V599 WeakPolarHBondContact CA-O 3.37Å; D595-V599 PolarHBondContact N-O 2.91Å; D595-V599 PolarHBondContact OD1-N 3.37Å; D595-V599 WeakPolarHBondContact OD2-CB 3.39Å; V599-Y601 HydrophobicContact CB-CE2 3.96Å; V599-Y601 HydrophobicContact CG1-CD2 4.36Å; V599-Y601 HydrophobicContact CG1-CE2 3.76Å
600	S	92	Very high	90.6	Very high	7 Å²	7	23.4 Å²	23.4	5%	0.049	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.5	-178.2	-55.8	0	0	0	0	111.9	G379 W416 V515 C516	G379-S600 WeakPolarHBondContact CA-O 3.3Å; G379-S600 VanDerWaalsContact O-CB 3.29Å; G379-S600 WeakPolarHBondContact O-CB 3.46Å; G379-S600 PolarHBondContact O-N 2.68Å; G379-S600 PolarHBondContact O-OG 3.02Å; W416-S600 WeakPolarHBondContact CH2-OG 3.2Å; V515-S600 WeakPolarHBondContact CG2-O 3.49Å; C516-S600 PolarHBondContact N-O 2.79Å; C516-S600 VanDerWaalsContact N-O 3.12Å
601	Y	93.4	Very high	89.3	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.2	179.7	-70.4	-94.3	0	0	0	111.6	C516 P518 W519 L523 F524 V592 C593 D595 V599 W603 F643	C516-Y601 HydrophobicContact CB-CD1 3.37Å; C516-Y601 HydrophobicContact CB-CE1 3.45Å; C516-Y601 VanDerWaalsContact CB-CE1 3.45Å; C516-Y601 HydrophobicContact CB-CG 4Å; C516-Y601 CarbonylContact O-C 3.57Å; C516-Y601 WeakPolarHBondContact O-CA 3.39Å; P518-Y601 HydrophobicContact CB-CD1 4.41Å; W519-Y601 HydrophobicContact CZ3-CE1 4.01Å; L523-Y601 HydrophobicContact CD2-CD1 3.95Å; L523-Y601 HydrophobicContact CD2-CD2 4.11Å; L523-Y601 HydrophobicContact CD2-CE1 4.1Å; L523-Y601 HydrophobicContact CD2-CE2 4.24Å; L523-Y601 HydrophobicContact CD2-CG 3.95Å; F524-Y601 HydrophobicContact CE2-CD2 4.19Å; F524-Y601 HydrophobicContact CE2-CG 4.19Å; F524-Y601 AromaticContact CZ-CD2 3.87Å; F524-Y601 HydrophobicContact CZ-CD2 3.87Å; F524-Y601 HydrophobicContact CZ-CG 4.33Å; V592-Y601 CarbonylContact C-O 3.55Å; V592-Y601 VanDerWaalsContact CA-O 3.27Å; V592-Y601 WeakPolarHBondContact CA-O 3.35Å; V592-Y601 WeakPolarHBondContact CG1-O 3.46Å; C593-Y601 PolarHBondContact N-O 2.98Å; C593-Y601 PolarHBondContact O-N 3.43Å; D595-Y601 HydrophobicContact CB-CE2 4.37Å; V599-Y601 HydrophobicContact CB-CE2 3.96Å; V599-Y601 HydrophobicContact CG1-CD2 4.36Å; V599-Y601 HydrophobicContact CG1-CE2 3.76Å; Y601-W603 PolarHBondContact O-N 2.54Å; Y601-F643 WeakPolarHBondContact OH-CE2 3.24Å
602	L	95.4	Very high	87.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	94.4	173.2	-177.6	64	0	0	0	109	A431 I433 L439 V515 C516 P518 P590 V592 G604 V624	A431-L602 HydrophobicContact CB-CD1 3.75Å; A431-L602 HydrophobicContact CB-CD2 3.61Å; A431-L602 HydrophobicContact CB-CG 4.26Å; I433-L602 HydrophobicContact CG2-CD2 4Å; L439-L602 HydrophobicContact CB-CD2 4.06Å; L439-L602 HydrophobicContact CD2-CD2 3.56Å; L439-L602 HydrophobicContact CG-CD2 4.39Å; V515-L602 HydrophobicContact CG1-CB 3.73Å; V515-L602 HydrophobicContact CG1-CD2 4.36Å; V515-L602 HydrophobicContact CG1-CG 4.48Å; V515-L602 HydrophobicContact CG2-CB 4.09Å; C516-L602 PolarHBondContact O-N 3.05Å; P518-L602 WeakPolarHBondContact CD-O 3.34Å; P518-L602 WeakPolarHBondContact CG-O 3.26Å; P590-L602 HydrophobicContact CB-CD1 3.31Å; V592-L602 HydrophobicContact CG2-CD1 4.35Å; L602-G604 WeakPolarHBondContact CD1-O 2.96Å; L602-V624 HydrophobicContact CD2-CG2 4.38Å; L602-V624 HydrophobicContact CG-CG2 4.09Å; L602-V624 WeakPolarHBondContact O-CB 3.47Å
603	W	96	Very high	86.3	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-37	-174.5	-170	-123.7	0	0	0	112.6	P518 T520 T521 L523 F524 M571 L591 C593 Y601 V624 A625	P518-W603 HydrophobicContact CB-CE3 3.87Å; P518-W603 HydrophobicContact CB-CZ3 3.79Å; P518-W603 HydrophobicContact CG-CE3 3.79Å; P518-W603 HydrophobicContact CG-CZ3 4.11Å; T520-W603 WeakPolarHBondContact O-CH2 3.46Å; T520-W603 WeakPolarHBondContact O-CZ3 3.38Å; T521-W603 VanDerWaalsContact O-CH2 3.27Å; T521-W603 WeakPolarHBondContact O-CH2 3.24Å; L523-W603 HydrophobicContact CB-CH2 4.23Å; L523-W603 HydrophobicContact CB-CZ3 3.94Å; F524-W603 HydrophobicContact CB-CD2 4.41Å; F524-W603 HydrophobicContact CB-CH2 4.4Å; F524-W603 HydrophobicContact CB-CZ2 4.07Å; F524-W603 AromaticContact CD2-CD2 3.76Å; F524-W603 HydrophobicContact CD2-CD2 3.76Å; F524-W603 AromaticContact CD2-CE3 3.55Å; F524-W603 HydrophobicContact CD2-CE3 3.55Å; F524-W603 HydrophobicContact CD2-CG 4.25Å; F524-W603 HydrophobicContact CD2-CH2 4.3Å; F524-W603 AromaticContact CD2-CZ3 3.85Å; F524-W603 HydrophobicContact CD2-CZ3 3.85Å; F524-W603 HydrophobicContact CE2-CE3 4.18Å; M571-W603 VanDerWaalsContact CE-CD1 3.44Å; M571-W603 VanDerWaalsContact SD-CD1 3.53Å; M571-W603 HydrophobicContact SD-CG 4.27Å; L591-W603 PolarHBondContact O-N 2.97Å; C593-W603 HydrophobicContact CB-CB 4.22Å; C593-W603 WeakPolarHBondContact SG-CB 3.36Å; C593-W603 VanDerWaalsContact SG-CD1 3.57Å; C593-W603 VanDerWaalsContact SG-CG 3.57Å; Y601-W603 PolarHBondContact O-N 2.54Å; W603-V624 PolarHBondContact O-N 2.91Å; W603-A625 HydrophobicContact CE3-CB 4.41Å; W603-A625 HydrophobicContact CH2-CB 4.33Å; W603-A625 HydrophobicContact CZ3-CB 3.85Å
604	G	96.3	Very high	85.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.6	-179.5	0	0	0	0	0	113.4	L591 L602 T622	L591-G604 PolarHBondContact N-O 3.14Å; L591-G604 PolarHBondContact O-N 3.15Å; L591-G604 VanDerWaalsContact O-N 3.11Å; L602-G604 WeakPolarHBondContact CD1-O 2.96Å; G604-T622 VanDerWaalsContact CA-O 3.25Å; G604-T622 WeakPolarHBondContact CA-O 3.47Å
605	I	96.3	Very high	84	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.7	170.3	-57.3	169.4	0	0	0	107.5	L439 A441 I491 S607 Y621 T622 V624	L439-I605 HydrophobicContact CD2-CD1 3.72Å; L439-I605 HydrophobicContact CD2-CG1 4.49Å; L439-I605 HydrophobicContact CG-CD1 3.68Å; A441-I605 HydrophobicContact CB-CG2 3.98Å; I491-I605 HydrophobicContact CD1-CD1 4.17Å; I491-I605 HydrophobicContact CG1-CD1 3.88Å; I605-S607 PolarHBondContact O-N 2.83Å; I605-S607 VanDerWaalsContact O-N 3.12Å; I605-Y621 CarbonylContact O-C 3.11Å; I605-Y621 WeakPolarHBondContact O-CA 3.23Å; I605-Y621 WeakPolarHBondContact O-CB 3.28Å; I605-T622 PolarHBondContact N-O 3.02Å; I605-T622 VanDerWaalsContact N-O 3.1Å; I605-T622 PolarHBondContact O-N 3.12Å; I605-V624 HydrophobicContact CD1-CG2 3.98Å; I605-V624 HydrophobicContact CG1-CG2 3.7Å
606	V	93.6	Very high	83.1	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	117.4	177.3	178.6	0	0	0	0	109	D586 G588 G589 Y621	D586-V606 HydrophobicContact CB-CG1 4.46Å; D586-V606 WeakPolarHBondContact O-CB 3.34Å; G588-V606 PolarHBondContact N-O 2.73Å; G589-V606 WeakPolarHBondContact O-CG2 3.31Å; G589-V606 PolarHBondContact O-N 2.68Å; V606-Y621 HydrophobicContact CB-CD1 4.38Å; V606-Y621 HydrophobicContact CB-CE1 4.25Å; V606-Y621 HydrophobicContact CG2-CD1 3.96Å; V606-Y621 HydrophobicContact CG2-CE1 3.45Å; V606-Y621 VanDerWaalsContact CG2-CE1 3.45Å
607	S	91.8	Very high	82.6	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-68	-175.7	-178.7	0	0	0	0	111.3	H443 D490 I605 V620	H443-S607 PolarHBondContact CE1-O 3.4Å; D490-S607 WeakPolarHBondContact OD2-CB 3Å; D490-S607 PolarHBondContact OD2-OG 3.47Å; I605-S607 PolarHBondContact O-N 2.83Å; I605-S607 VanDerWaalsContact O-N 3.12Å; S607-V620 PolarHBondContact N-O 3.4Å; S607-V620 VanDerWaalsContact N-O 3.15Å
608	W	87.4	Confident	82.5	Confident	20 Å²	20	42 Å²	42	8%	0.076	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	167.1	-177.6	65.3	-85.7	0	0	0	112.7	Y487 Y562 R565 M570 V620	Y487-W608 VanDerWaalsContact CB-CD1 3.5Å; Y487-W608 HydrophobicContact CD1-CB 4.25Å; Y487-W608 HydrophobicContact CD2-CB 4.33Å; Y487-W608 HydrophobicContact CD2-CG 4.25Å; Y487-W608 HydrophobicContact CE1-CB 4.35Å; Y487-W608 HydrophobicContact CE2-CB 4.45Å; Y487-W608 HydrophobicContact CG-CB 4.23Å; Y487-W608 AromaticContact CG-CD1 3.78Å; Y487-W608 HydrophobicContact CG-CG 4.14Å; Y562-W608 AromaticContact CD1-CH2 3.62Å; Y562-W608 HydrophobicContact CD1-CH2 3.62Å; Y562-W608 AromaticContact CD1-CZ3 3.94Å; Y562-W608 HydrophobicContact CD1-CZ3 3.94Å; Y562-W608 AromaticContact CE1-CH2 3.98Å; Y562-W608 HydrophobicContact CE1-CH2 3.98Å; Y562-W608 AromaticContact CE1-CZ3 3.88Å; Y562-W608 HydrophobicContact CE1-CZ3 3.88Å; Y562-W608 HydrophobicContact CG-CH2 4.01Å; R565-W608 HydrophobicContact CB-CH2 4.14Å; R565-W608 HydrophobicContact CB-CZ2 4.48Å; M570-W608 HydrophobicContact SD-CZ2 4.35Å; W608-V620 HydrophobicContact CD2-CB 4.03Å; W608-V620 HydrophobicContact CD2-CG1 4.49Å; W608-V620 HydrophobicContact CD2-CG2 4.21Å; W608-V620 HydrophobicContact CE3-CG2 4.4Å; W608-V620 HydrophobicContact CG-CB 4.29Å; W608-V620 HydrophobicContact CH2-CG2 4Å; W608-V620 HydrophobicContact CZ2-CB 4.13Å; W608-V620 HydrophobicContact CZ2-CG1 4.04Å; W608-V620 HydrophobicContact CZ2-CG2 3.79Å; W608-V620 HydrophobicContact CZ3-CG2 4.3Å; W608-V620 PolarHBondContact N-O 2.86Å; W608-V620 VanDerWaalsContact N-O 3.14Å; W608-V620 WeakPolarHBondContact O-CA 3.31Å; W608-V620 WeakPolarHBondContact O-CB 3.29Å; W608-V620 PolarHBondContact O-N 3.15Å
609	G	79.9	Confident	82.4	Confident	43 Å²	43	40.9 Å²	40.9	44%	0.443	22%	0.221	S	C	.	.			trans	-166.9	155.4	175.4	0	0	0	0	0	110.3
610	E	69.9	Low	82.6	Confident	113 Å²	113	40.6 Å²	40.6	53%	0.528	22%	0.219	S	C	.	.	S	Bend	trans	-76.7	-48.1	-175.4	-155.3	73.8	-172.8	0	0	111.2	R565	R565-E610 IonicContact CZ-OE2 3.33Å; R565-E610 IonicContact NH1-OE1 3.2Å; R565-E610 IonicContact NH1-OE2 3.43Å; R565-E610 PolarHBondContact NH1-OE2 3.18Å; R565-E610 IonicContact NH2-OE2 3.5Å
611	R	67	Low	82.7	Confident	183 Å²	183	40.3 Å²	40.3	69%	0.691	22%	0.217	S	C	*	.	S	Bend	trans	-154	139.3	174.8	-65.6	-174.1	179.8	168.9	0.5	109.4	G613 H614	R611-G613 PolarHBondContact O-N 2.87Å; R611-H614 HydrophobicContact CB-CB 4.25Å
612	C	65.9	Low	82.9	Confident	64 Å²	64	40.3 Å²	40.3	43%	0.432	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	122	176.1	-65.4	0	0	0	0	112.7	C583 H614	C583-C612 WeakPolarHBondContact CA-SG 3.44Å; C583-C612 HydrophobicContact CB-CB 4.35Å; C583-C612 WeakPolarHBondContact CB-SG 3.29Å; C583-C612 WeakPolarHBondContact SG-CB 3.38Å; C583-C612 CovalentContact SG-SG 2.03Å; C583-C612 PolarHBondContact SG-SG 2.91Å; C612-H614 VanDerWaalsContact C-N 3.3Å; C612-H614 PolarHBondContact O-N 2.86Å
613	G	61.7	Low	82.9	Confident	27 Å²	27	41.8 Å²	41.8	28%	0.278	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.7	167.6	0	0	0	0	0	113.8	G578 D581 R611	G578-G613 CarbonylContact O-C 3.25Å; G578-G613 VanDerWaalsContact O-CA 3.24Å; G578-G613 WeakPolarHBondContact O-CA 3.37Å; D581-G613 PolarHBondContact OD2-N 2.87Å; R611-G613 PolarHBondContact O-N 2.87Å
614	H	67.8	Low	82.9	Confident	93 Å²	93	41.6 Å²	41.6	43%	0.431	22%	0.223	S	C	.	.			trans	-83.7	127	174.8	-167.3	-74	0	0	0	110.5	R611 C612 G616 F617	R611-H614 HydrophobicContact CB-CB 4.25Å; C612-H614 VanDerWaalsContact C-N 3.3Å; C612-H614 PolarHBondContact O-N 2.86Å; H614-G616 PolarHBondContact O-N 2.01Å; H614-F617 AromaticContact ND1-CD2 3.6Å; H614-F617 PolarHBondContact O-N 3.06Å; H614-F617 VanDerWaalsContact O-N 3.14Å
615	Q	69.4	Low	82.7	Confident	145 Å²	145	41.9 Å²	41.9	68%	0.678	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	133.1	178.3	-166.7	178.9	2.7	0	0	111.1	F617	Q615-F617 VanDerWaalsContact C-N 3.3Å; Q615-F617 PolarHBondContact O-N 2.91Å
616	G	71.6	Confident	82.6	Confident	44 Å²	44	46.3 Å²	46.3	45%	0.454	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.4	179.3	0	0	0	0	0	116.4	S561 H614	S561-G616 PolarHBondContact OG-O 3.4Å; H614-G616 PolarHBondContact O-N 2.01Å
617	F	76.9	Confident	82.6	Confident	80 Å²	80	46.4 Å²	46.4	35%	0.351	25%	0.246	S	C	.	.			trans	-124.1	84.6	178.7	-69.9	-84.1	0	0	0	110.3	Y562 H614 Q615	Y562-F617 HydrophobicContact CD1-CD1 4.34Å; Y562-F617 AromaticContact CE1-CD1 3.71Å; Y562-F617 HydrophobicContact CE1-CD1 3.71Å; Y562-F617 HydrophobicContact CE1-CE1 4.48Å; Y562-F617 VanDerWaalsContact OH-C 3.29Å; H614-F617 AromaticContact ND1-CD2 3.6Å; H614-F617 PolarHBondContact O-N 3.06Å; H614-F617 VanDerWaalsContact O-N 3.14Å; Q615-F617 VanDerWaalsContact C-N 3.3Å; Q615-F617 PolarHBondContact O-N 2.91Å
618	P	83.6	Confident	82.5	Confident	14 Å²	14	46.6 Å²	46.6	9%	0.091	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-73.2	152.7	-179.5	31.3	-36	0	0	0	112	I555 Y562 C572	I555-P618 HydrophobicContact CD1-CB 3.53Å; I555-P618 HydrophobicContact CD1-CG 3.98Å; Y562-P618 HydrophobicContact CE2-CG 4.35Å; Y562-P618 WeakPolarHBondContact CE2-O 3.33Å; Y562-P618 PolarHBondContact OH-O 2.87Å; C572-P618 HydrophobicContact CB-CB 4.3Å; C572-P618 HydrophobicContact CB-CG 3.87Å
619	G	86.8	Confident	82.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	140.7	174.4	0	0	0	0	0	112.7	C572 A573 D581 Y621	C572-G619 WeakPolarHBondContact CA-O 3.03Å; A573-G619 PolarHBondContact N-O 2.99Å; A573-G619 PolarHBondContact O-N 2.88Å; D581-G619 WeakPolarHBondContact OD1-CA 3.34Å; D581-G619 PolarHBondContact OD1-N 3.08Å; G619-Y621 VanDerWaalsContact O-CD2 3.28Å; G619-Y621 WeakPolarHBondContact O-CD2 3.35Å; G619-Y621 VanDerWaalsContact O-CE2 3.3Å; G619-Y621 WeakPolarHBondContact O-CE2 3.33Å
620	V	91.4	Very high	83.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.5	179.2	-174.7	0	0	0	0	109.7	Y562 M570 S607 W608	Y562-V620 HydrophobicContact CD2-CG2 4.05Å; Y562-V620 HydrophobicContact CE2-CG2 3.59Å; M570-V620 HydrophobicContact CB-CG1 4.01Å; M570-V620 HydrophobicContact CG-CG1 4.3Å; M570-V620 HydrophobicContact SD-CG1 4.06Å; S607-V620 PolarHBondContact N-O 3.4Å; S607-V620 VanDerWaalsContact N-O 3.15Å; W608-V620 HydrophobicContact CD2-CB 4.03Å; W608-V620 HydrophobicContact CD2-CG1 4.49Å; W608-V620 HydrophobicContact CD2-CG2 4.21Å; W608-V620 HydrophobicContact CE3-CG2 4.4Å; W608-V620 HydrophobicContact CG-CB 4.29Å; W608-V620 HydrophobicContact CH2-CG2 4Å; W608-V620 HydrophobicContact CZ2-CB 4.13Å; W608-V620 HydrophobicContact CZ2-CG1 4.04Å; W608-V620 HydrophobicContact CZ2-CG2 3.79Å; W608-V620 HydrophobicContact CZ3-CG2 4.3Å; W608-V620 PolarHBondContact N-O 2.86Å; W608-V620 VanDerWaalsContact N-O 3.14Å; W608-V620 WeakPolarHBondContact O-CA 3.31Å; W608-V620 WeakPolarHBondContact O-CB 3.29Å; W608-V620 PolarHBondContact O-N 3.15Å
621	Y	94.8	Very high	84.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.9	-176.6	-58.9	-106.6	0	0	0	109.7	I532 M570 M571 A573 S582 L591 I605 V606 G619 Q623	I532-Y621 HydrophobicContact CG2-CE1 4.05Å; M570-Y621 CarbonylContact C-O 3.56Å; M570-Y621 WeakPolarHBondContact CA-O 3.3Å; M571-Y621 WeakPolarHBondContact CG-O 3.48Å; M571-Y621 PolarHBondContact N-O 3.05Å; M571-Y621 PolarHBondContact O-N 3.04Å; A573-Y621 HydrophobicContact CB-CD2 4.11Å; A573-Y621 HydrophobicContact CB-CE2 3.76Å; S582-Y621 WeakPolarHBondContact CB-OH 3.41Å; S582-Y621 PolarHBondContact OG-OH 3.34Å; L591-Y621 HydrophobicContact CB-CD1 3.79Å; L591-Y621 HydrophobicContact CB-CE1 3.89Å; L591-Y621 HydrophobicContact CD1-CE1 4.41Å; L591-Y621 HydrophobicContact CD2-CD1 4.07Å; L591-Y621 HydrophobicContact CD2-CD2 4.46Å; L591-Y621 HydrophobicContact CD2-CE1 4.38Å; L591-Y621 HydrophobicContact CD2-CG 4.13Å; L591-Y621 HydrophobicContact CG-CD1 4.45Å; L591-Y621 HydrophobicContact CG-CE1 4.46Å; I605-Y621 CarbonylContact O-C 3.11Å; I605-Y621 WeakPolarHBondContact O-CA 3.23Å; I605-Y621 WeakPolarHBondContact O-CB 3.28Å; V606-Y621 HydrophobicContact CB-CD1 4.38Å; V606-Y621 HydrophobicContact CB-CE1 4.25Å; V606-Y621 HydrophobicContact CG2-CD1 3.96Å; V606-Y621 HydrophobicContact CG2-CE1 3.45Å; V606-Y621 VanDerWaalsContact CG2-CE1 3.45Å; G619-Y621 VanDerWaalsContact O-CD2 3.28Å; G619-Y621 WeakPolarHBondContact O-CD2 3.35Å; G619-Y621 VanDerWaalsContact O-CE2 3.3Å; G619-Y621 WeakPolarHBondContact O-CE2 3.33Å; Y621-Q623 PolarHBondContact O-N 2.92Å
622	T	96.6	Very high	85.3	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.1	167.2	-57.3	0	0	0	0	108.5	D490 I491 G604 I605 V624 Y627	D490-T622 PolarHBondContact O-OG1 3.44Å; I491-T622 HydrophobicContact CB-CG2 4.18Å; G604-T622 VanDerWaalsContact CA-O 3.25Å; G604-T622 WeakPolarHBondContact CA-O 3.47Å; I605-T622 PolarHBondContact N-O 3.02Å; I605-T622 VanDerWaalsContact N-O 3.1Å; I605-T622 PolarHBondContact O-N 3.12Å; T622-V624 PolarHBondContact O-N 2.76Å; T622-Y627 HydrophobicContact CG2-CD2 3.84Å; T622-Y627 HydrophobicContact CG2-CE2 3.35Å
623	Q	96.1	Very high	86.4	Confident	33 Å²	33	39.4 Å²	39.4	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	106.1	-179.4	-172.1	178.5	30	0	0	110.1	G569 M571 Y621 A625 H626 Y627	G569-Q623 WeakPolarHBondContact O-CB 3.47Å; G569-Q623 PolarHBondContact O-N 3.07Å; M571-Q623 HydrophobicContact CB-CB 4.15Å; M571-Q623 HydrophobicContact CG-CB 3.84Å; M571-Q623 HydrophobicContact CG-CG 4.33Å; M571-Q623 HydrophobicContact SD-CB 4.11Å; M571-Q623 HydrophobicContact SD-CG 4.05Å; Y621-Q623 PolarHBondContact O-N 2.92Å; Q623-A625 VanDerWaalsContact C-N 3.31Å; Q623-A625 PolarHBondContact O-N 2.76Å; Q623-H626 HydrophobicContact CB-CB 4.4Å; Q623-H626 VanDerWaalsContact O-CB 3.27Å; Q623-H626 WeakPolarHBondContact O-CB 3.08Å; Q623-H626 PolarHBondContact O-N 3.39Å; Q623-H626 VanDerWaalsContact O-N 3.11Å; Q623-Y627 VanDerWaalsContact O-CD2 3.31Å; Q623-Y627 WeakPolarHBondContact O-CD2 3.39Å
624	V	95.9	Very high	87.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.4	-37.5	-171.2	174.5	0	0	0	0	112.5	L439 V517 P518 L602 W603 I605 T622 H626 Y627 F628 I631	L439-V624 HydrophobicContact CD2-CG1 3.77Å; L439-V624 HydrophobicContact CD2-CG2 4.06Å; V517-V624 HydrophobicContact CG1-CG1 3.87Å; P518-V624 HydrophobicContact CG-CB 4.45Å; P518-V624 HydrophobicContact CG-CG1 4.4Å; L602-V624 HydrophobicContact CD2-CG2 4.38Å; L602-V624 HydrophobicContact CG-CG2 4.09Å; L602-V624 WeakPolarHBondContact O-CB 3.47Å; W603-V624 PolarHBondContact O-N 2.91Å; I605-V624 HydrophobicContact CD1-CG2 3.98Å; I605-V624 HydrophobicContact CG1-CG2 3.7Å; T622-V624 PolarHBondContact O-N 2.76Å; V624-H626 PolarHBondContact O-N 3.16Å; V624-H626 VanDerWaalsContact O-N 3.16Å; V624-Y627 PolarHBondContact O-N 2.87Å; V624-F628 PolarHBondContact O-N 3.18Å; V624-I631 HydrophobicContact CG1-CD1 3.74Å
625	A	92.4	Very high	88.8	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.7	178.3	0	0	0	0	0	113.4	P518 T520 T521 W603 Q623 Y627 F628	P518-A625 HydrophobicContact CB-CB 3.97Å; P518-A625 HydrophobicContact CG-CB 3.78Å; T520-A625 WeakPolarHBondContact O-CB 3.29Å; T521-A625 HydrophobicContact CG2-CB 3.96Å; W603-A625 HydrophobicContact CE3-CB 4.41Å; W603-A625 HydrophobicContact CH2-CB 4.33Å; W603-A625 HydrophobicContact CZ3-CB 3.85Å; Q623-A625 VanDerWaalsContact C-N 3.31Å; Q623-A625 PolarHBondContact O-N 2.76Å; A625-Y627 VanDerWaalsContact C-N 3.26Å; A625-Y627 PolarHBondContact O-N 2.69Å; A625-F628 WeakPolarHBondContact O-CB 2.92Å; A625-F628 PolarHBondContact O-N 3.23Å
626	H	93.4	Very high	89.4	Confident	95 Å²	95	31.6 Å²	31.6	44%	0.44	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65.9	-30.9	176	-173.8	80.4	0	0	0	112.1	Q623 V624	Q623-H626 HydrophobicContact CB-CB 4.4Å; Q623-H626 VanDerWaalsContact O-CB 3.27Å; Q623-H626 WeakPolarHBondContact O-CB 3.08Å; Q623-H626 PolarHBondContact O-N 3.39Å; Q623-H626 VanDerWaalsContact O-N 3.11Å; V624-H626 PolarHBondContact O-N 3.16Å; V624-H626 VanDerWaalsContact O-N 3.16Å
627	Y	94.1	Very high	89.4	Confident	9 Å²	9	31.6 Å²	31.6	4%	0.035	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-100	13.5	-177.4	-59.3	-84.5	0	0	0	112.9	H479 N489 I491 T622 Q623 V624 A625 E629 W630 I631	H479-Y627 AromaticContact CD2-CD1 3.87Å; H479-Y627 AromaticContact NE2-CD1 3.86Å; N489-Y627 WeakPolarHBondContact CA-OH 3.33Å; N489-Y627 HydrophobicContact CB-CE1 4.04Å; N489-Y627 WeakPolarHBondContact OD1-CE1 3.25Å; N489-Y627 PolarHBondContact OD1-OH 2.94Å; N489-Y627 VanDerWaalsContact OD1-OH 3.11Å; I491-Y627 HydrophobicContact CD1-CD2 4.08Å; I491-Y627 HydrophobicContact CD1-CG 3.97Å; I491-Y627 HydrophobicContact CG2-CD1 3.94Å; I491-Y627 HydrophobicContact CG2-CD2 4.49Å; I491-Y627 HydrophobicContact CG2-CE1 4.22Å; I491-Y627 HydrophobicContact CG2-CG 4.09Å; T622-Y627 HydrophobicContact CG2-CD2 3.84Å; T622-Y627 HydrophobicContact CG2-CE2 3.35Å; Q623-Y627 VanDerWaalsContact O-CD2 3.31Å; Q623-Y627 WeakPolarHBondContact O-CD2 3.39Å; V624-Y627 PolarHBondContact O-N 2.87Å; A625-Y627 VanDerWaalsContact C-N 3.26Å; A625-Y627 PolarHBondContact O-N 2.69Å; Y627-E629 VanDerWaalsContact C-N 3.3Å; Y627-E629 PolarHBondContact O-N 3.04Å; Y627-W630 WeakPolarHBondContact O-CB 3.37Å; Y627-W630 PolarHBondContact O-N 2.96Å; Y627-I631 WeakPolarHBondContact O-CG1 3.39Å; Y627-I631 PolarHBondContact O-N 3.47Å
628	F	90.8	Very high	88.8	Confident	7 Å²	7	32.9 Å²	32.9	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-50.8	-48.2	-177.1	175.3	-100.4	0	0	0	113	V517 P518 W519 V624 A625 W630 I631 R632 W637 V640 T641	V517-F628 HydrophobicContact CG1-CD2 4.24Å; P518-F628 WeakPolarHBondContact O-CD2 3.47Å; W519-F628 VanDerWaalsContact CA-CD2 3.41Å; W519-F628 HydrophobicContact CB-CD1 4.11Å; W519-F628 HydrophobicContact CB-CD2 3.77Å; W519-F628 HydrophobicContact CB-CE1 3.94Å; W519-F628 HydrophobicContact CB-CE2 3.53Å; W519-F628 HydrophobicContact CB-CG 4.04Å; W519-F628 HydrophobicContact CB-CZ 3.66Å; V624-F628 PolarHBondContact O-N 3.18Å; A625-F628 WeakPolarHBondContact O-CB 2.92Å; A625-F628 PolarHBondContact O-N 3.23Å; F628-W630 VanDerWaalsContact C-N 3.34Å; F628-W630 PolarHBondContact O-N 3.13Å; F628-I631 PolarHBondContact O-N 2.76Å; F628-R632 VanDerWaalsContact O-CB 3.26Å; F628-R632 WeakPolarHBondContact O-CB 3.37Å; F628-R632 PolarHBondContact O-N 3.45Å; F628-W637 HydrophobicContact CZ-CZ3 4.28Å; F628-V640 HydrophobicContact CD2-CG1 3.63Å; F628-V640 HydrophobicContact CE2-CB 4.13Å; F628-V640 HydrophobicContact CE2-CG1 3.26Å; F628-V640 HydrophobicContact CZ-CG1 4.13Å; F628-T641 HydrophobicContact CD2-CG2 4.43Å; F628-T641 HydrophobicContact CE1-CG2 4.49Å; F628-T641 HydrophobicContact CE2-CG2 3.12Å; F628-T641 HydrophobicContact CZ-CG2 3.17Å
629	E	87.8	Confident	87.8	Confident	58 Å²	58	32.7 Å²	32.7	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-38.9	-179.9	-69.5	-62.7	159.8	0	0	112.4	Y627 R632 L633	Y627-E629 VanDerWaalsContact C-N 3.3Å; Y627-E629 PolarHBondContact O-N 3.04Å; E629-R632 PolarHBondContact O-N 3.2Å; E629-R632 IonicContact OE1-NE 3.56Å; E629-R632 IonicContact OE2-CZ 3.89Å; E629-R632 IonicContact OE2-NE 3.83Å; E629-R632 PolarHBondContact OE2-NE 3.14Å; E629-R632 IonicContact OE2-NH2 3.19Å; E629-R632 PolarHBondContact OE2-NH2 2.95Å; E629-L633 WeakPolarHBondContact O-CB 3.4Å; E629-L633 PolarHBondContact O-N 3.18Å
630	W	92.9	Very high	86.6	Confident	32 Å²	32	32.8 Å²	32.8	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-43.4	176.1	176	84.4	0	0	0	111.5	L439 R477 H479 I491 L493 Y627 F628 L633 H634	L439-W630 HydrophobicContact CD1-CZ3 4.48Å; R477-W630 WeakPolarHBondContact O-CH2 3.29Å; H479-W630 HydrophobicContact CB-CZ2 4.2Å; H479-W630 AromaticContact CD2-CD1 3.58Å; H479-W630 AromaticContact CD2-CD2 3.63Å; H479-W630 AromaticContact CD2-CE2 3.67Å; H479-W630 AromaticContact CD2-CG 3.61Å; H479-W630 AromaticContact CD2-NE1 3.61Å; H479-W630 AromaticContact NE2-CD1 3.85Å; H479-W630 AromaticContact NE2-CG 3.98Å; I491-W630 HydrophobicContact CD1-CE3 4.41Å; I491-W630 HydrophobicContact CD1-CZ3 4.16Å; I491-W630 HydrophobicContact CG1-CZ3 3.98Å; I491-W630 HydrophobicContact CG2-CE3 4.27Å; I491-W630 HydrophobicContact CG2-CH2 4.43Å; I491-W630 HydrophobicContact CG2-CZ3 4.02Å; L493-W630 HydrophobicContact CB-CH2 4.2Å; L493-W630 HydrophobicContact CD1-CE3 4.38Å; L493-W630 HydrophobicContact CD1-CH2 3.86Å; L493-W630 HydrophobicContact CD1-CZ2 4.47Å; L493-W630 HydrophobicContact CD1-CZ3 3.81Å; L493-W630 HydrophobicContact CG-CH2 3.81Å; L493-W630 HydrophobicContact CG-CZ3 3.78Å; Y627-W630 WeakPolarHBondContact O-CB 3.37Å; Y627-W630 PolarHBondContact O-N 2.96Å; F628-W630 VanDerWaalsContact C-N 3.34Å; F628-W630 PolarHBondContact O-N 3.13Å; W630-L633 PolarHBondContact O-N 3.1Å; W630-H634 AromaticContact CD1-CE1 3.7Å; W630-H634 AromaticContact CE2-CE1 3.83Å; W630-H634 AromaticContact CE2-ND1 4Å; W630-H634 AromaticContact NE1-CE1 3.32Å; W630-H634 PolarHBondContact NE1-CE1 3.26Å; W630-H634 VanDerWaalsContact NE1-CE1 3.32Å; W630-H634 AromaticContact NE1-ND1 3.86Å; W630-H634 PolarHBondContact O-ND1 3.39Å
631	I	93	Very high	85.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-52.9	175.5	-63	167.4	0	0	0	109.1	I433 L439 I491 L493 V517 V624 Y627 F628 L633 H634 T635 V640	I433-I631 HydrophobicContact CD1-CG2 4.08Å; L439-I631 HydrophobicContact CD1-CD1 4.16Å; L439-I631 HydrophobicContact CD1-CG1 4.17Å; L439-I631 HydrophobicContact CD2-CD1 3.87Å; I491-I631 HydrophobicContact CD1-CD1 4.24Å; I491-I631 HydrophobicContact CD1-CG1 4.49Å; L493-I631 HydrophobicContact CD2-CG2 4.49Å; V517-I631 HydrophobicContact CG1-CD1 3.91Å; V624-I631 HydrophobicContact CG1-CD1 3.74Å; Y627-I631 WeakPolarHBondContact O-CG1 3.39Å; Y627-I631 PolarHBondContact O-N 3.47Å; F628-I631 PolarHBondContact O-N 2.76Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 2.91Å; I631-H634 PolarHBondContact O-N 2.98Å; I631-T635 HydrophobicContact CG2-CG2 4.13Å; I631-T635 WeakPolarHBondContact O-CG2 3.31Å; I631-T635 PolarHBondContact O-N 3.35Å; I631-T635 PolarHBondContact O-OG1 2.62Å; I631-V640 HydrophobicContact CG2-CG1 4.05Å; I631-V640 HydrophobicContact CG2-CG2 3.9Å
632	R	88.1	Confident	83.3	Confident	52 Å²	52	34.7 Å²	34.7	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-54.8	-41.1	179.5	-175.3	-173.8	73.2	76.8	0.2	113.4	F628 E629 H634 G636 W637 V640	F628-R632 VanDerWaalsContact O-CB 3.26Å; F628-R632 WeakPolarHBondContact O-CB 3.37Å; F628-R632 PolarHBondContact O-N 3.45Å; E629-R632 PolarHBondContact O-N 3.2Å; E629-R632 IonicContact OE1-NE 3.56Å; E629-R632 IonicContact OE2-CZ 3.89Å; E629-R632 IonicContact OE2-NE 3.83Å; E629-R632 PolarHBondContact OE2-NE 3.14Å; E629-R632 IonicContact OE2-NH2 3.19Å; E629-R632 PolarHBondContact OE2-NH2 2.95Å; R632-H634 PolarHBondContact O-N 2.82Å; R632-G636 VanDerWaalsContact O-CA 3.31Å; R632-G636 WeakPolarHBondContact O-CA 3.25Å; R632-G636 PolarHBondContact O-N 2.9Å; R632-W637 VanDerWaalsContact CD-CZ2 3.49Å; R632-W637 HydrophobicContact CG-CD2 4.27Å; R632-V640 HydrophobicContact CB-CG2 4.46Å
633	L	90.2	Very high	81.2	Confident	129 Å²	129	35.2 Å²	35.2	68%	0.675	18%	0.183	S	C	*	.	H	α-helix	trans	-62.7	-31.1	-179.7	-175.3	136.9	0	0	0	112.5	E629 W630 I631	E629-L633 WeakPolarHBondContact O-CB 3.4Å; E629-L633 PolarHBondContact O-N 3.18Å; W630-L633 PolarHBondContact O-N 3.1Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 2.91Å
634	H	91.3	Very high	79.1	Confident	57 Å²	57	34.4 Å²	34.4	26%	0.264	18%	0.179	S	C	.	.	H	α-helix	trans	-93	-39.8	-179.7	-66.8	83.7	0	0	0	113	W437 L493 W630 I631 R632	W437-H634 WeakPolarHBondContact CZ2-O 3.36Å; L493-H634 HydrophobicContact CD1-CB 3.63Å; W630-H634 AromaticContact CD1-CE1 3.7Å; W630-H634 AromaticContact CE2-CE1 3.83Å; W630-H634 AromaticContact CE2-ND1 4Å; W630-H634 AromaticContact NE1-CE1 3.32Å; W630-H634 PolarHBondContact NE1-CE1 3.26Å; W630-H634 VanDerWaalsContact NE1-CE1 3.32Å; W630-H634 AromaticContact NE1-ND1 3.86Å; W630-H634 PolarHBondContact O-ND1 3.39Å; I631-H634 PolarHBondContact O-N 2.98Å; R632-H634 PolarHBondContact O-N 2.82Å
635	T	88.1	Confident	76.9	Confident	16 Å²	16	36.7 Å²	36.7	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-96	-19.5	-171.6	67	0	0	0	0	113.6	I433 W437 L493 I631 V640	I433-T635 HydrophobicContact CD1-CG2 4.37Å; W437-T635 HydrophobicContact CB-CG2 4.07Å; W437-T635 HydrophobicContact CD2-CG2 3.54Å; W437-T635 HydrophobicContact CE3-CG2 4.01Å; W437-T635 HydrophobicContact CG-CG2 3.55Å; W437-T635 HydrophobicContact CZ2-CG2 4.46Å; L493-T635 HydrophobicContact CD1-CG2 3.87Å; L493-T635 HydrophobicContact CD2-CG2 3.84Å; I631-T635 HydrophobicContact CG2-CG2 4.13Å; I631-T635 WeakPolarHBondContact O-CG2 3.31Å; I631-T635 PolarHBondContact O-N 3.35Å; I631-T635 PolarHBondContact O-OG1 2.62Å; T635-V640 WeakPolarHBondContact OG1-CG2 3.15Å
636	G	82.1	Confident	76.1	Confident	29 Å²	29	38.2 Å²	38.2	30%	0.299	20%	0.202	S	C	.	.			trans	79	161.8	-174.4	0	0	0	0	0	113.9	R632 P638 A639 V640	R632-G636 VanDerWaalsContact O-CA 3.31Å; R632-G636 WeakPolarHBondContact O-CA 3.25Å; R632-G636 PolarHBondContact O-N 2.9Å; G636-P638 VanDerWaalsContact C-CD 3.43Å; G636-A639 PolarHBondContact O-N 3.49Å; G636-V640 WeakPolarHBondContact O-CG2 3.44Å
637	W	70.1	Confident	75.2	Confident	43 Å²	43	35.2 Å²	35.2	16%	0.163	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-53.9	-42.3	-178.2	-72.5	101	0	0	0	115.8	C95 F628 R632 A639 V640 N644	C95-W637 WeakPolarHBondContact O-CH2 3.42Å; F628-W637 HydrophobicContact CZ-CZ3 4.28Å; R632-W637 VanDerWaalsContact CD-CZ2 3.49Å; R632-W637 HydrophobicContact CG-CD2 4.27Å; W637-A639 PolarHBondContact O-N 3.04Å; W637-A639 VanDerWaalsContact O-N 3.1Å; W637-V640 PolarHBondContact O-N 3.2Å; W637-N644 WeakPolarHBondContact CZ3-O 3.24Å
638	P	64.8	Low	74.1	Confident	108 Å²	108	36.6 Å²	36.6	70%	0.701	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.5	-16.7	-178.2	-22	34.6	0	0	0	113.9	L376 G636	L376-P638 WeakPolarHBondContact CD1-O 3.33Å; G636-P638 VanDerWaalsContact C-CD 3.43Å
639	A	62.4	Low	73.1	Confident	10 Å²	10	38.4 Å²	38.4	8%	0.083	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-95.4	-9.6	-178.2	0	0	0	0	0	113.7	G636 W637	G636-A639 PolarHBondContact O-N 3.49Å; W637-A639 PolarHBondContact O-N 3.04Å; W637-A639 VanDerWaalsContact O-N 3.1Å
640	V	61.7	Low	72.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-35.8	-165.3	-161.5	0	0	0	0	113.5	V517 F628 I631 R632 T635 G636 W637	V517-V640 HydrophobicContact CB-CG1 3.57Å; V517-V640 WeakPolarHBondContact CB-O 3.44Å; V517-V640 HydrophobicContact CG1-CG1 3.59Å; V517-V640 HydrophobicContact CG2-CG1 4.12Å; F628-V640 HydrophobicContact CD2-CG1 3.63Å; F628-V640 HydrophobicContact CE2-CB 4.13Å; F628-V640 HydrophobicContact CE2-CG1 3.26Å; F628-V640 HydrophobicContact CZ-CG1 4.13Å; I631-V640 HydrophobicContact CG2-CG1 4.05Å; I631-V640 HydrophobicContact CG2-CG2 3.9Å; R632-V640 HydrophobicContact CB-CG2 4.46Å; T635-V640 WeakPolarHBondContact OG1-CG2 3.15Å; G636-V640 WeakPolarHBondContact O-CG2 3.44Å; W637-V640 PolarHBondContact O-N 3.2Å
641	T	60.1	Low	70.9	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.031	21%	0.21	C	C	.	.			trans	-136.4	131.4	-171.7	57.3	0	0	0	0	116.5	L376 W519 F628 F643	L376-T641 VanDerWaalsContact CD2-O 3.27Å; L376-T641 WeakPolarHBondContact CD2-O 3.13Å; W519-T641 HydrophobicContact CB-CG2 4.18Å; W519-T641 HydrophobicContact CE3-CG2 4.49Å; F628-T641 HydrophobicContact CD2-CG2 4.43Å; F628-T641 HydrophobicContact CE1-CG2 4.49Å; F628-T641 HydrophobicContact CE2-CG2 3.12Å; F628-T641 HydrophobicContact CZ-CG2 3.17Å; T641-F643 WeakPolarHBondContact CB-O 3.32Å; T641-F643 PolarHBondContact OG1-O 3.19Å
642	K	57.6	Low	69.3	Low	35 Å²	35	40.1 Å²	40.1	15%	0.152	23%	0.225	C	C	.	.	S	Bend	trans	-74.7	-31.7	168.5	-172.7	178.7	177.9	-171.9	0	111.4	E373 L376	E373-K642 HydrophobicContact CG-CG 4.31Å; L376-K642 HydrophobicContact CD2-CB 4.37Å
643	F	52.1	Low	67.8	Low	13 Å²	13	39.2 Å²	39.2	6%	0.057	23%	0.227	C	C	.	.	S	Bend	trans	-121.7	150.3	-177.6	-53.7	-81.9	0	0	0	111.1	F88 I325 R369 E373 W519 Y601 T641	F88-F643 HydrophobicContact CD1-CB 3.77Å; F88-F643 HydrophobicContact CD1-CD1 4.41Å; F88-F643 HydrophobicContact CD1-CG 4.21Å; F88-F643 HydrophobicContact CE1-CB 3.4Å; F88-F643 VanDerWaalsContact CE1-CB 3.4Å; F88-F643 AromaticContact CE1-CD1 3.9Å; F88-F643 HydrophobicContact CE1-CD1 3.9Å; F88-F643 AromaticContact CE1-CD2 3.96Å; F88-F643 HydrophobicContact CE1-CD2 3.96Å; F88-F643 AromaticContact CE1-CG 3.5Å; F88-F643 HydrophobicContact CE1-CG 3.5Å; F88-F643 HydrophobicContact CZ-CD1 4.41Å; F88-F643 HydrophobicContact CZ-CD2 4.37Å; F88-F643 HydrophobicContact CZ-CG 4.21Å; I325-F643 HydrophobicContact CD1-CE1 4.32Å; I325-F643 HydrophobicContact CD1-CZ 4.34Å; R369-F643 VanDerWaalsContact NH2-CD1 3.32Å; E373-F643 HydrophobicContact CG-CD1 4.36Å; E373-F643 HydrophobicContact CG-CE1 4.1Å; E373-F643 WeakPolarHBondContact OE1-CE1 3.33Å; W519-F643 HydrophobicContact CH2-CB 4.03Å; W519-F643 AromaticContact CH2-CD2 3.72Å; W519-F643 HydrophobicContact CH2-CD2 3.72Å; W519-F643 HydrophobicContact CH2-CG 4.23Å; W519-F643 HydrophobicContact CZ2-CB 4.45Å; W519-F643 HydrophobicContact CZ3-CB 4.19Å; W519-F643 AromaticContact CZ3-CD2 3.83Å; W519-F643 HydrophobicContact CZ3-CD2 3.83Å; W519-F643 HydrophobicContact CZ3-CG 4.48Å; Y601-F643 WeakPolarHBondContact OH-CE2 3.24Å; T641-F643 WeakPolarHBondContact CB-O 3.32Å; T641-F643 PolarHBondContact OG1-O 3.19Å
644	N	51.3	Low	66	Low	16 Å²	16	31.8 Å²	31.8	9%	0.086	19%	0.19	C	C	.	.			trans	70	19.6	176.8	-54.9	-46.3	0	0	0	117.8	C89 C95 W519 W637	C89-N644 PolarHBondContact N-OD1 3.17Å; C95-N644 HydrophobicContact CB-CB 3.9Å; W519-N644 VanDerWaalsContact CE2-ND2 3.33Å; W519-N644 PolarHBondContact NE1-ND2 3.35Å; W637-N644 WeakPolarHBondContact CZ3-O 3.24Å
645	S	49.9	Very low	63.7	Low	48 Å²	48	29.5 Å²	29.5	34%	0.336	18%	0.183	S	C	.	.			trans	-69.3	0	173.9	52.8	0	0	0	0	115	K103	K103-S645 WeakPolarHBondContact CE-O 3.4Å; K103-S645 PolarHBondContact NZ-O 2.87Å

Retrieved 645 of 645 residues in 1913.1 ms (Link to these results)

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