A0A096NMP3_PAPAN Loading...

protein-lysine 6-oxidase

AlphaFold DB (A0A2K5KRR2), UniProt , Accession A0A096NMP3, Species PAPAN (Papio anubis, Olive baboon), Gene LOXL1, Length 576 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	34.7	Very low	243 Å²	243	147.1 Å²	147.1	100%	1.197	83%	0.834	S	S	*	*				0	95	0	-55.5	170.4	-166.5	0	0	105
2	A	36.8	Very low	34.5	Very low	94 Å²	94	143.1 Å²	143.1	78%	0.777	83%	0.833	S	S	*	*				73.8	123.4	79.1	0	0	0	0	0	111.2
3	L	37.4	Very low	34.3	Very low	179 Å²	179	144.5 Å²	144.5	94%	0.937	83%	0.834	S	S	*	*			cis	-148.6	167	-1.6	-115.5	170.6	0	0	0	110.2
4	A	38.6	Very low	34.5	Very low	82 Å²	82	143.1 Å²	143.1	68%	0.678	83%	0.829	S	S	*	*			trans	-131.5	152.4	-173.1	0	0	0	0	0	113.5
5	R	36.9	Very low	34.3	Very low	253 Å²	253	150.2 Å²	150.2	96%	0.955	84%	0.836	S	S	*	*			trans	39	124.5	152.8	-65.8	179.4	174.4	-177.1	-2.1	120
6	G	30.6	Very low	34	Very low	68 Å²	68	145.6 Å²	145.6	70%	0.701	83%	0.833	S	S	*	*				119.4	151.3	110.4	0	0	0	0	0	118.8
7	S	34.1	Very low	33.8	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	83%	0.829	S	S	*	*			trans	47.7	111.6	159.5	44.1	0	0	0	0	118.4
8	Q	31.9	Very low	33.5	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	83%	0.832	S	S	*	*				53.2	107.1	77.7	-64.6	-178	-27.4	0	0	113.9
9	Q	34.7	Very low	33.4	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	84%	0.837	S	S	*	*				178.1	135.1	93.4	-89.8	-165.1	14.7	0	0	111.3
10	L	31.7	Very low	33.2	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	84%	0.838	S	S	*	*			trans	-151.5	101.5	141.4	-108.9	173.8	0	0	0	107.4
11	G	28.6	Very low	33	Very low	57 Å²	57	143 Å²	143	59%	0.588	84%	0.841	S	S	*	*			trans	-66.3	145.9	168.1	0	0	0	0	0	110.3
12	A	32.8	Very low	32.6	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	83%	0.825	S	S	*	*				73	90.2	66.9	0	0	0	0	0	112.5
13	L	31.5	Very low	32.5	Very low	161 Å²	161	141.5 Å²	141.5	84%	0.843	83%	0.825	S	S	*	*			trans	166.3	132.8	166.3	-93.2	162.5	0	0	0	102.7
14	V	37.1	Very low	32.1	Very low	126 Å²	126	140.8 Å²	140.8	76%	0.764	82%	0.817	S	S	*	*			cis	-138.4	127.5	21.5	174	0	0	0	0	105.5
15	W	32.3	Very low	31.9	Very low	249 Å²	249	140.4 Å²	140.4	94%	0.943	82%	0.821	S	S	*	*			cis	59.3	74.9	42	-104	88.5	0	0	0	115.4
16	G	28.7	Very low	31.5	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	81%	0.813	S	S	*	*			trans	138.7	68.5	154.6	0	0	0	0	0	118.5
17	A	30.3	Very low	31.6	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	82%	0.82	S	S	*	*	S	Bend	trans	-155.3	146.7	154.8	0	0	0	0	0	111.5
18	C	28.8	Very low	31.3	Very low	130 Å²	130	141.5 Å²	141.5	88%	0.878	82%	0.824	S	S	*	*			trans	56	63.7	164.5	-62	0	0	0	0	118.4
19	L	31.2	Very low	31.1	Very low	178 Å²	178	141.3 Å²	141.3	93%	0.932	82%	0.823	S	S	*	*			trans	-70.1	123.7	131.9	-95.6	85.4	0	0	0	107.8
20	C	29.8	Very low	31.5	Very low	127 Å²	127	139.2 Å²	139.2	86%	0.858	83%	0.825	S	S	*	*			trans	-166.7	138.5	147.9	-125.7	0	0	0	0	113.1
21	V	29.2	Very low	31.3	Very low	146 Å²	146	134.1 Å²	134.1	89%	0.885	82%	0.815	S	S	*	*			trans	90.1	108.9	179.4	-173.6	0	0	0	0	114.7
22	M	31.3	Very low	31.7	Very low	175 Å²	175	141.1 Å²	141.1	86%	0.862	83%	0.833	S	S	*	*			trans	-93.1	165.6	175.8	-70.5	-164.2	-66.7	0	0	112.3	H24	M22-H24 PolarHBondContact O-N 3.23Å
23	V	34.2	Very low	31.4	Very low	131 Å²	131	140.3 Å²	140.3	79%	0.794	83%	0.834	S	S	*	*			trans	-38.1	129.1	162.9	176	0	0	0	0	112.5
24	H	29.1	Very low	31.7	Very low	164 Å²	164	137.9 Å²	137.9	76%	0.759	83%	0.83	S	S	*	*			trans	-132.2	92.2	150.6	-107	46.4	0	0	0	109	M22 Q26	M22-H24 PolarHBondContact O-N 3.23Å; H24-Q26 PolarHBondContact O-N 2.64Å
25	G	34.6	Very low	31.8	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	83%	0.834	S	S	*	*			trans	-73.3	103.7	160.7	0	0	0	0	0	108.1
26	Q	29.8	Very low	32.3	Very low	169 Å²	169	133.1 Å²	133.1	79%	0.79	83%	0.825	S	S	*	*			trans	-97	126.1	170.5	-78.3	-167.5	-16.4	0	0	110.9	H24 A28	H24-Q26 PolarHBondContact O-N 2.64Å; Q26-A28 PolarHBondContact O-N 3.34Å
27	Q	32.4	Very low	33.4	Very low	183 Å²	183	131.8 Å²	131.8	86%	0.855	81%	0.812	S	S	*	*			trans	-79.5	106.5	-173.2	-179.3	177.6	-0.2	0	0	110.2	Q29	Q27-Q29 PolarHBondContact O-N 2.75Å
28	A	26.6	Very low	34.7	Very low	98 Å²	98	138 Å²	138	81%	0.81	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70	127.1	167.3	0	0	0	0	0	109.6	Q26	Q26-A28 PolarHBondContact O-N 3.34Å
29	Q	28.6	Very low	36.2	Very low	173 Å²	173	136 Å²	136	81%	0.808	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-75.6	155.3	-176.1	-74.9	-179.8	-30.1	0	0	112.7	Q27 G31	Q27-Q29 PolarHBondContact O-N 2.75Å; Q29-G31 PolarHBondContact O-N 3.16Å
30	P	43.3	Very low	38	Very low	137 Å²	137	135.2 Å²	135.2	89%	0.89	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-69.1	117.7	173.9	28.8	-34	0	0	0	110.9
31	G	28	Very low	40	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	76%	0.757	S	S	*	*			trans	-151.4	90.8	-175.6	0	0	0	0	0	113.3	Q29	Q29-G31 PolarHBondContact O-N 3.16Å
32	Q	36.4	Very low	41.9	Very low	205 Å²	205	132.4 Å²	132.4	96%	0.958	74%	0.741	S	S	*	*			trans	10.7	110.2	160.1	-68.8	165.9	-35.2	0	0	118.6
33	G	26.8	Very low	44	Very low	82 Å²	82	128.7 Å²	128.7	85%	0.845	72%	0.724	S	S	*	*			trans	-153	95.9	163.6	0	0	0	0	0	110.4
34	S	36.9	Very low	46.1	Very low	110 Å²	110	128 Å²	128	77%	0.769	71%	0.712	S	S	*	*			trans	-88	131.9	-178.5	52.2	0	0	0	0	112.1
35	D	40.5	Very low	48.3	Very low	159 Å²	159	125.2 Å²	125.2	85%	0.85	70%	0.695	S	S	*	*			trans	-170.6	163.3	130.6	-105.3	-10.3	0	0	0	113.4
36	P	42.3	Very low	50.3	Low	115 Å²	115	128.1 Å²	128.1	75%	0.747	69%	0.689	S	S	*	*			trans	-101.4	161.9	-158.9	38.3	-37.3	0	0	0	116.1
37	G	52.2	Low	51.8	Low	49 Å²	49	124.3 Å²	124.3	51%	0.505	67%	0.674	S	S	.	*			trans	77.2	74.9	154.9	0	0	0	0	0	115.9	W39	G37-W39 VanDerWaalsContact C-N 3.33Å; G37-W39 PolarHBondContact O-N 3.38Å
38	R	57.4	Low	53.5	Low	224 Å²	224	123 Å²	123	85%	0.845	67%	0.673	S	S	*	*			trans	-75.1	82.6	173.3	-166.4	-178.6	-173.8	-162.6	1.8	112	R40	R38-R40 PolarHBondContact O-N 2.87Å
39	W	60.7	Low	55.8	Low	86 Å²	86	121.1 Å²	121.1	33%	0.326	66%	0.663	S	S	.	*			trans	-49.5	132.4	170.3	-68.6	93.6	0	0	0	112.4	G37 L55 R74 L76	G37-W39 VanDerWaalsContact C-N 3.33Å; G37-W39 PolarHBondContact O-N 3.38Å; W39-L55 HydrophobicContact CB-CB 4.35Å; W39-L55 HydrophobicContact CB-CD1 4.46Å; W39-L55 HydrophobicContact CE3-CB 3.82Å; W39-L55 WeakPolarHBondContact CZ3-O 3.4Å; W39-R74 HydrophobicContact CH2-CB 3.66Å; W39-R74 VanDerWaalsContact CH2-O 3.26Å; W39-R74 WeakPolarHBondContact CH2-O 3.19Å; W39-R74 HydrophobicContact CZ2-CB 4.33Å; W39-R74 WeakPolarHBondContact CZ3-O 3.45Å; W39-L76 HydrophobicContact CD2-CD1 4.16Å; W39-L76 HydrophobicContact CE3-CB 4.4Å; W39-L76 HydrophobicContact CE3-CD1 4.37Å; W39-L76 HydrophobicContact CE3-CG 4.47Å; W39-L76 HydrophobicContact CH2-CB 4.21Å; W39-L76 HydrophobicContact CH2-CD1 3.66Å; W39-L76 HydrophobicContact CH2-CG 3.53Å; W39-L76 HydrophobicContact CZ2-CD1 3.4Å; W39-L76 HydrophobicContact CZ2-CG 3.84Å; W39-L76 HydrophobicContact CZ3-CB 4.03Å; W39-L76 HydrophobicContact CZ3-CD1 4.14Å; W39-L76 HydrophobicContact CZ3-CG 3.88Å
40	R	67.7	Low	57.4	Low	163 Å²	163	117.1 Å²	117.1	62%	0.615	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.3	134.5	177.5	-58.8	-177.3	-176.7	-126.7	6.9	109.7	R38 L55 N56	R38-R40 PolarHBondContact O-N 2.87Å; R40-L55 WeakPolarHBondContact O-CA 3.49Å; R40-N56 PolarHBondContact N-O 3.48Å; R40-N56 PolarHBondContact O-N 3.05Å
41	Q	73	Confident	58.7	Low	107 Å²	107	113.3 Å²	113.3	50%	0.5	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.6	129.6	171.5	173.5	164.3	-41.6	0	0	110	S53 L55	Q41-S53 VanDerWaalsContact CG-OG 3.31Å; Q41-S53 WeakPolarHBondContact CG-OG 3.44Å; Q41-S53 PolarHBondContact OE1-OG 3.02Å; Q41-L55 HydrophobicContact CB-CD2 3.85Å
42	L	68.4	Low	60.9	Low	106 Å²	106	113 Å²	113	56%	0.555	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109	-45.7	178.1	-66.2	-177.4	0	0	0	112.8	L54 N56	L42-L54 PolarHBondContact N-O 2.92Å; L42-N56 HydrophobicContact CD1-CB 3.51Å; L42-N56 HydrophobicContact CG-CB 4.08Å
43	I	74.7	Confident	62.7	Low	98 Å²	98	103.9 Å²	103.9	50%	0.503	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139	136.7	-174.8	-53.2	179	0	0	0	108.1	W45 L54	I43-W45 HydrophobicContact CG2-CE3 4.13Å; I43-L54 HydrophobicContact CB-CB 4.31Å; I43-L54 HydrophobicContact CD1-CD2 4.39Å; I43-L54 PolarHBondContact O-N 2.84Å
44	Q	79.8	Confident	65.1	Low	115 Å²	115	102.2 Å²	102.2	54%	0.537	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.7	171.2	178.1	-179.3	-34.8	0	0	108.7	V51 Y52	Q44-V51 HydrophobicContact CG-CG1 3.64Å; Q44-Y52 VanDerWaalsContact CA-O 3.3Å; Q44-Y52 WeakPolarHBondContact CA-O 3.33Å
45	W	73.7	Confident	67.1	Low	106 Å²	106	98.9 Å²	98.9	40%	0.402	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	164.4	174.9	70.5	98.6	0	0	0	110.5	I43 V51 Y52 L54 L77	I43-W45 HydrophobicContact CG2-CE3 4.13Å; W45-V51 WeakPolarHBondContact O-CA 3.39Å; W45-Y52 HydrophobicContact CZ2-CG 4.27Å; W45-Y52 PolarHBondContact N-O 3.43Å; W45-Y52 AromaticContact NE1-CD2 3.73Å; W45-Y52 PolarHBondContact O-N 2.88Å; W45-L54 HydrophobicContact CZ3-CB 4.15Å; W45-L77 HydrophobicContact CH2-CD1 3.52Å; W45-L77 HydrophobicContact CZ2-CD1 4.14Å; W45-L77 HydrophobicContact CZ3-CD1 4.32Å
46	E	76.6	Confident	68.4	Low	135 Å²	135	92.9 Å²	92.9	63%	0.631	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.3	174.3	-165	-177.6	138.5	0	0	109.8	G49 Q50 V51	E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; E46-Q50 WeakPolarHBondContact CA-O 3.39Å; E46-V51 HydrophobicContact CB-CG2 4.45Å; E46-V51 HydrophobicContact CG-CG2 4.12Å
47	N	62.8	Low	69.5	Low	89 Å²	89	89.7 Å²	89.7	48%	0.476	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	129.6	169.9	-171.6	-0.2	0	0	0	108.9	G49 Q50 Y52	N47-G49 VanDerWaalsContact C-N 3.25Å; N47-G49 PolarHBondContact O-N 3.13Å; N47-Q50 PolarHBondContact N-O 3.08Å; N47-Q50 PolarHBondContact O-N 2.68Å; N47-Y52 HydrophobicContact CB-CE2 4.21Å
48	N	67.8	Low	69.8	Low	156 Å²	156	89.2 Å²	89.2	83%	0.834	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	40	-177.8	-59.8	-43.4	0	0	0	114.4	Q50	N48-Q50 PolarHBondContact O-N 2.74Å
49	G	74.6	Confident	70	Confident	58 Å²	58	83.4 Å²	83.4	60%	0.598	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	3.5	-179	0	0	0	0	0	115.2	E46 N47	E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; N47-G49 VanDerWaalsContact C-N 3.25Å; N47-G49 PolarHBondContact O-N 3.13Å
50	Q	62.4	Low	69.5	Low	90 Å²	90	87.9 Å²	87.9	42%	0.421	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.6	171.5	-68.7	-156.2	-14.5	0	0	111.2	E46 N47 N48 Y52	E46-Q50 WeakPolarHBondContact CA-O 3.39Å; N47-Q50 PolarHBondContact N-O 3.08Å; N47-Q50 PolarHBondContact O-N 2.68Å; N48-Q50 PolarHBondContact O-N 2.74Å; Q50-Y52 HydrophobicContact CB-CE1 4.43Å; Q50-Y52 HydrophobicContact CB-CE2 3.75Å; Q50-Y52 WeakPolarHBondContact CB-OH 3.34Å; Q50-Y52 WeakPolarHBondContact O-CD2 3.17Å; Q50-Y52 WeakPolarHBondContact O-CE2 3.49Å; Q50-Y52 PolarHBondContact OE1-OH 3.43Å
51	V	70	Confident	68.4	Low	57 Å²	57	89.8 Å²	89.8	35%	0.345	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126	174.8	178.5	0	0	0	0	109.3	Q44 W45 E46	Q44-V51 HydrophobicContact CG-CG1 3.64Å; W45-V51 WeakPolarHBondContact O-CA 3.39Å; E46-V51 HydrophobicContact CB-CG2 4.45Å; E46-V51 HydrophobicContact CG-CG2 4.12Å
52	Y	74.6	Confident	67.2	Low	62 Å²	62	90.3 Å²	90.3	24%	0.243	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.5	176.8	-59.3	-77.1	0	0	0	110	Q44 W45 N47 Q50	Q44-Y52 VanDerWaalsContact CA-O 3.3Å; Q44-Y52 WeakPolarHBondContact CA-O 3.33Å; W45-Y52 HydrophobicContact CZ2-CG 4.27Å; W45-Y52 PolarHBondContact N-O 3.43Å; W45-Y52 AromaticContact NE1-CD2 3.73Å; W45-Y52 PolarHBondContact O-N 2.88Å; N47-Y52 HydrophobicContact CB-CE2 4.21Å; Q50-Y52 HydrophobicContact CB-CE1 4.43Å; Q50-Y52 HydrophobicContact CB-CE2 3.75Å; Q50-Y52 WeakPolarHBondContact CB-OH 3.34Å; Q50-Y52 WeakPolarHBondContact O-CD2 3.17Å; Q50-Y52 WeakPolarHBondContact O-CE2 3.49Å; Q50-Y52 PolarHBondContact OE1-OH 3.43Å
53	S	74.7	Confident	66	Low	14 Å²	14	89.8 Å²	89.8	10%	0.098	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.5	179.3	-178.3	0	0	0	0	110.6	Q41 A78	Q41-S53 VanDerWaalsContact CG-OG 3.31Å; Q41-S53 WeakPolarHBondContact CG-OG 3.44Å; Q41-S53 PolarHBondContact OE1-OG 3.02Å; S53-A78 PolarHBondContact N-O 2.81Å; S53-A78 PolarHBondContact O-N 2.77Å
54	L	76.3	Confident	64.2	Low	48 Å²	48	90.6 Å²	90.6	25%	0.251	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117	176.4	-167.4	71.3	0	0	0	109.8	L42 I43 W45 V75	L42-L54 PolarHBondContact N-O 2.92Å; I43-L54 HydrophobicContact CB-CB 4.31Å; I43-L54 HydrophobicContact CD1-CD2 4.39Å; I43-L54 PolarHBondContact O-N 2.84Å; W45-L54 HydrophobicContact CZ3-CB 4.15Å; L54-V75 HydrophobicContact CD1-CG1 3.5Å; L54-V75 HydrophobicContact CG-CG1 4.07Å
55	L	79.7	Confident	62.8	Low	39 Å²	39	87.9 Å²	87.9	20%	0.204	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.1	-179.7	-52.4	-176	0	0	0	110.7	W39 R40 Q41 L76 A78	W39-L55 HydrophobicContact CB-CB 4.35Å; W39-L55 HydrophobicContact CB-CD1 4.46Å; W39-L55 HydrophobicContact CE3-CB 3.82Å; W39-L55 WeakPolarHBondContact CZ3-O 3.4Å; R40-L55 WeakPolarHBondContact O-CA 3.49Å; Q41-L55 HydrophobicContact CB-CD2 3.85Å; L55-L76 HydrophobicContact CB-CB 4.5Å; L55-L76 PolarHBondContact N-O 3.33Å; L55-L76 PolarHBondContact O-N 2.66Å; L55-A78 HydrophobicContact CD1-CB 4.14Å
56	N	67.3	Low	61.5	Low	34 Å²	34	89.3 Å²	89.3	18%	0.182	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.7	175.1	-174.1	-20.6	0	0	0	109	R40 L42 G58	R40-N56 PolarHBondContact N-O 3.48Å; R40-N56 PolarHBondContact O-N 3.05Å; L42-N56 HydrophobicContact CD1-CB 3.51Å; L42-N56 HydrophobicContact CG-CB 4.08Å; N56-G58 PolarHBondContact O-N 2.73Å; N56-G58 PolarHBondContact OD1-N 2.9Å
57	S	64.9	Low	60.1	Low	47 Å²	47	92.3 Å²	92.3	33%	0.329	54%	0.544	S	S	.	.			trans	-65	-22.9	173.2	58.7	0	0	0	0	112.9
58	G	59.1	Low	58.9	Low	40 Å²	40	100 Å²	100	41%	0.412	57%	0.566	S	S	.	*			trans	85	141.1	-169.1	0	0	0	0	0	111.3	N56	N56-G58 PolarHBondContact O-N 2.73Å; N56-G58 PolarHBondContact OD1-N 2.9Å
59	S	62	Low	57.9	Low	101 Å²	101	97.6 Å²	97.6	71%	0.706	56%	0.562	S	S	*	*			trans	-112.7	115.6	170.6	52.7	0	0	0	0	108.6
60	E	50.1	Low	56.6	Low	181 Å²	181	103.9 Å²	103.9	85%	0.846	58%	0.576	S	S	*	*			trans	-75.9	146.8	174.4	-172.2	162.6	-154.8	0	0	110.5	V62	E60-V62 PolarHBondContact O-N 2.92Å
61	Y	44.3	Very low	55.8	Low	202 Å²	202	105.5 Å²	105.5	79%	0.792	60%	0.598	S	S	*	*			trans	-78.5	115	179.4	176.4	-93.8	0	0	0	110.1
62	V	48.2	Very low	55	Low	119 Å²	119	107.1 Å²	107.1	72%	0.721	61%	0.611	S	S	*	*			trans	-108.6	121.3	178.5	-174.5	0	0	0	0	109.1	E60	E60-V62 PolarHBondContact O-N 2.92Å
63	P	42.4	Very low	53.9	Low	94 Å²	94	107.9 Å²	107.9	61%	0.61	63%	0.626	S	S	*	*			trans	-67.7	154.1	175.1	29.1	-34.5	0	0	0	111.3	G65	P63-G65 PolarHBondContact O-N 3.47Å; P63-G65 VanDerWaalsContact O-N 3.17Å
64	A	37.8	Very low	52.9	Low	116 Å²	116	115.6 Å²	115.6	96%	0.959	65%	0.653	S	S	*	*			trans	-64	115.4	-168.5	0	0	0	0	0	113.6
65	G	48.8	Very low	51.9	Low	58 Å²	58	117.4 Å²	117.4	60%	0.598	67%	0.665	S	S	*	*			trans	-124.5	169.1	167.2	0	0	0	0	0	111.4	P63	P63-G65 PolarHBondContact O-N 3.47Å; P63-G65 VanDerWaalsContact O-N 3.17Å
66	P	47.5	Very low	50.9	Low	135 Å²	135	119.9 Å²	119.9	88%	0.877	68%	0.678	S	S	*	*	S	Bend	trans	-61	140.2	-176.6	24.6	-33.7	0	0	0	112.2	R68	P66-R68 PolarHBondContact O-N 2.77Å
67	Q	47.7	Very low	50.7	Low	198 Å²	198	123.4 Å²	123.4	93%	0.925	70%	0.697	S	S	*	*			trans	-56.1	129.9	-165.7	-67.5	177.9	-81.4	0	0	113.8
68	R	37.4	Very low	50.6	Low	250 Å²	250	123.3 Å²	123.3	94%	0.943	70%	0.699	S	S	*	*			trans	-119.7	148.1	152	-75.1	-171.4	171.5	-167.6	-2.2	109.2	P66	P66-R68 PolarHBondContact O-N 2.77Å
69	S	45.8	Very low	50.9	Low	107 Å²	107	123.5 Å²	123.5	75%	0.748	70%	0.7	S	S	*	*			trans	-76.7	145.6	-174	51	0	0	0	0	113.1
70	E	48.4	Very low	50.4	Low	189 Å²	189	122.4 Å²	122.4	88%	0.883	70%	0.697	S	S	*	*			trans	57.6	101.8	160.4	-59.7	-170.8	131.8	0	0	118.5
71	S	45.4	Very low	50.1	Low	125 Å²	125	119.1 Å²	119.1	87%	0.874	69%	0.692	S	S	*	*			trans	-123.5	125.3	133.4	66.3	0	0	0	0	108.6
72	S	51.7	Low	49.9	Very low	90 Å²	90	118.8 Å²	118.8	63%	0.629	70%	0.698	S	S	*	*			trans	-100.3	110.2	178.3	43.8	0	0	0	0	109.9	R74	S72-R74 PolarHBondContact O-N 2.96Å
73	S	52.5	Low	49	Very low	79 Å²	79	117.8 Å²	117.8	55%	0.552	70%	0.702	S	S	*	*			trans	-66.5	94.7	170.2	38.1	0	0	0	0	109.5
74	R	53.8	Low	48.6	Very low	175 Å²	175	122.9 Å²	122.9	66%	0.66	72%	0.718	S	S	*	*			trans	-76.1	147	175.3	-66.4	-177.1	-177.7	-164.2	-0.5	109.8	W39 S72	W39-R74 HydrophobicContact CH2-CB 3.66Å; W39-R74 VanDerWaalsContact CH2-O 3.26Å; W39-R74 WeakPolarHBondContact CH2-O 3.19Å; W39-R74 HydrophobicContact CZ2-CB 4.33Å; W39-R74 WeakPolarHBondContact CZ3-O 3.45Å; S72-R74 PolarHBondContact O-N 2.96Å
75	V	55.3	Low	48.4	Very low	86 Å²	86	126.3 Å²	126.3	52%	0.521	71%	0.714	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	134.8	172.4	179.1	0	0	0	0	107.5	L54	L54-V75 HydrophobicContact CD1-CG1 3.5Å; L54-V75 HydrophobicContact CG-CG1 4.07Å
76	L	59.5	Low	47.5	Very low	91 Å²	91	135.6 Å²	135.6	48%	0.476	73%	0.731	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.3	139.3	177.5	-70.2	177.7	0	0	0	110.3	W39 L55	W39-L76 HydrophobicContact CD2-CD1 4.16Å; W39-L76 HydrophobicContact CE3-CB 4.4Å; W39-L76 HydrophobicContact CE3-CD1 4.37Å; W39-L76 HydrophobicContact CE3-CG 4.47Å; W39-L76 HydrophobicContact CH2-CB 4.21Å; W39-L76 HydrophobicContact CH2-CD1 3.66Å; W39-L76 HydrophobicContact CH2-CG 3.53Å; W39-L76 HydrophobicContact CZ2-CD1 3.4Å; W39-L76 HydrophobicContact CZ2-CG 3.84Å; W39-L76 HydrophobicContact CZ3-CB 4.03Å; W39-L76 HydrophobicContact CZ3-CD1 4.14Å; W39-L76 HydrophobicContact CZ3-CG 3.88Å; L55-L76 HydrophobicContact CB-CB 4.5Å; L55-L76 PolarHBondContact N-O 3.33Å; L55-L76 PolarHBondContact O-N 2.66Å
77	L	62.4	Low	46.6	Very low	109 Å²	109	140.6 Å²	140.6	57%	0.571	73%	0.732	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.6	119	174.4	-175.4	64.5	0	0	0	108.9	W45	W45-L77 HydrophobicContact CH2-CD1 3.52Å; W45-L77 HydrophobicContact CZ2-CD1 4.14Å; W45-L77 HydrophobicContact CZ3-CD1 4.32Å
78	A	63.1	Low	45.9	Very low	45 Å²	45	135 Å²	135	37%	0.372	72%	0.715	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	135.8	174.3	0	0	0	0	0	110.1	S53 L55	S53-A78 PolarHBondContact N-O 2.81Å; S53-A78 PolarHBondContact O-N 2.77Å; L55-A78 HydrophobicContact CD1-CB 4.14Å
79	G	65.5	Low	45.7	Very low	43 Å²	43	131.8 Å²	131.8	44%	0.443	71%	0.71	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136	144.7	171.8	0	0	0	0	0	109.8	P81	G79-P81 WeakPolarHBondContact O-CD 3.31Å
80	A	50.2	Low	44.9	Very low	78 Å²	78	130.3 Å²	130.3	65%	0.645	71%	0.712	S	S	*	*			trans	-96.5	111.7	-175.7	0	0	0	0	0	111.5
81	P	45.6	Very low	44.3	Very low	113 Å²	113	126.8 Å²	126.8	73%	0.734	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-83.4	123.6	177.8	32	-32.6	0	0	0	111.5	G79	G79-P81 WeakPolarHBondContact O-CD 3.31Å
82	Q	38.2	Very low	44.1	Very low	195 Å²	195	126.9 Å²	126.9	91%	0.911	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-70.6	135.5	153.8	-73.3	-171.1	-9.1	0	0	108.9
83	A	30.9	Very low	43.2	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-92.1	128.9	-165	0	0	0	0	0	113.6
84	Q	33.6	Very low	42.1	Very low	202 Å²	202	141.6 Å²	141.6	94%	0.944	74%	0.735	S	S	*	*			trans	-149.5	157.4	148.1	-112.8	174.4	11.8	0	0	111.1
85	Q	32.9	Very low	41	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	74%	0.739	S	S	*	*			trans	-101.5	146.4	-161.2	-58.6	171.6	-17.1	0	0	113.4
86	R	31.1	Very low	39.7	Very low	253 Å²	253	146.2 Å²	146.2	96%	0.955	75%	0.75	S	S	*	*				-163.7	158.7	128.3	-112.2	171.1	-175.8	-156	-0.9	114.2
87	R	28.9	Very low	38.2	Very low	239 Å²	239	146.6 Å²	146.6	90%	0.902	77%	0.767	S	S	*	*			trans	-99.9	176.7	171.7	-45.5	173	171.6	161.9	-5.1	108.2
88	S	32.1	Very low	36.8	Very low	81 Å²	81	147.4 Å²	147.4	57%	0.566	78%	0.778	S	S	*	*			cis	-164.3	176.7	8.5	25	0	0	0	0	110.2
89	H	32.7	Very low	35.3	Very low	183 Å²	183	151 Å²	151	85%	0.847	80%	0.8	S	S	*	*			trans	75.5	148.5	167.4	-42	-72.6	0	0	0	116.2
90	G	30.2	Very low	33.7	Very low	76 Å²	76	157 Å²	157	78%	0.784	82%	0.821	S	S	*	*			cis	-174.5	147.4	-6.9	0	0	0	0	0	110.9
91	S	34.3	Very low	33.2	Very low	114 Å²	114	158.8 Å²	158.8	80%	0.797	83%	0.827	S	S	*	*			trans	-102.9	167.6	-179.6	61.5	0	0	0	0	112.2
92	P	42	Very low	32.4	Very low	128 Å²	128	161.5 Å²	161.5	83%	0.831	83%	0.834	S	S	*	*				-139.1	161.1	106.7	37.4	-26.4	0	0	0	114.9
93	R	32.1	Very low	32.4	Very low	223 Å²	223	158.3 Å²	158.3	84%	0.842	83%	0.83	S	S	*	*			trans	-85.9	154.8	170.6	-77.2	169.8	141.3	172.1	-6.1	111.4
94	R	29.1	Very low	32.4	Very low	255 Å²	255	157.2 Å²	157.2	96%	0.962	83%	0.828	S	S	*	*			trans	-123.3	151.1	151.5	-156.5	173.4	-173.5	-175.1	1.5	109.1
95	R	30.6	Very low	32.2	Very low	196 Å²	196	159.7 Å²	159.7	74%	0.74	83%	0.829	S	S	*	*			trans	-115.7	143.7	-174.5	-83.1	-172.5	174.7	-164	4.2	112.6
96	Q	29.6	Very low	32.2	Very low	162 Å²	162	157.8 Å²	157.8	76%	0.757	83%	0.83	S	S	*	*			trans	46.5	131.3	139.5	-62.9	174.2	-63.7	0	0	121.4
97	A	26.5	Very low	32	Very low	99 Å²	99	148.6 Å²	148.6	82%	0.818	81%	0.814	S	S	*	*				-145.2	140.6	121.9	0	0	0	0	0	109.1
98	P	34	Very low	32.2	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	81%	0.809	S	S	*	*			trans	-104	163.2	176	38.5	-32.7	0	0	0	112.9
99	S	31.6	Very low	32.1	Very low	120 Å²	120	146 Å²	146	84%	0.839	82%	0.821	S	S	*	*			trans	-137	126.8	169.7	56	0	0	0	0	111.2
100	L	32.1	Very low	32.1	Very low	169 Å²	169	143.6 Å²	143.6	89%	0.885	82%	0.819	S	S	*	*			trans	-91.2	161.4	177	-80.7	166.8	0	0	0	111.5
101	P	39.7	Very low	32.3	Very low	116 Å²	116	146.4 Å²	146.4	75%	0.753	82%	0.821	S	S	*	*			trans	-84.8	161.4	-169.1	34.4	-37	0	0	0	114.3
102	L	29.3	Very low	32.2	Very low	171 Å²	171	152.8 Å²	152.8	90%	0.895	83%	0.827	S	S	*	*			trans	-123.2	149.9	161.2	-79.8	170.7	0	0	0	110
103	P	36.7	Very low	31.6	Very low	127 Å²	127	149 Å²	149	83%	0.825	81%	0.812	S	S	*	*			trans	-97	162.5	-163.7	37.6	-36.5	0	0	0	114.3
104	G	30.4	Very low	31.9	Very low	74 Å²	74	146.9 Å²	146.9	76%	0.763	81%	0.811	S	S	*	*			trans	123.3	69.7	151	0	0	0	0	0	118.1
105	R	29.7	Very low	32	Very low	254 Å²	254	138.9 Å²	138.9	96%	0.958	80%	0.8	S	S	*	*			trans	-154.5	140.6	142.1	-108.7	175.8	-165.6	-135.3	1	109.4
106	V	32.9	Very low	32.2	Very low	149 Å²	149	140 Å²	140	90%	0.903	80%	0.804	S	S	*	*			trans	-120.3	136.4	-173.1	175	0	0	0	0	109.9
107	G	28.5	Very low	32.7	Very low	60 Å²	60	139.8 Å²	139.8	62%	0.619	80%	0.803	S	S	*	*			trans	81.5	93.9	146.6	0	0	0	0	0	118.1
108	S	31.8	Very low	33.2	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	80%	0.799	S	S	*	*			trans	-161	54.3	134.5	42.3	0	0	0	0	110.7	T110	S108-T110 PolarHBondContact O-N 3.36Å
109	D	30.2	Very low	33.6	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	78%	0.776	S	S	*	*			trans	-66.7	93.1	172.7	-69.6	-65.2	0	0	0	110.5	V111	D109-V111 PolarHBondContact O-N 3.08Å
110	T	32.7	Very low	33.8	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	78%	0.777	S	S	*	*			trans	-68.8	96.8	166.1	51.4	0	0	0	0	108.5	S108 R112	S108-T110 PolarHBondContact O-N 3.36Å; T110-R112 PolarHBondContact O-N 3.28Å
111	V	34.1	Very low	34.2	Very low	134 Å²	134	136.6 Å²	136.6	81%	0.812	77%	0.771	S	S	*	*			trans	-57.8	99.2	174	177.3	0	0	0	0	108.6	D109 G113	D109-V111 PolarHBondContact O-N 3.08Å; V111-G113 PolarHBondContact O-N 3.41Å
112	R	31.7	Very low	34	Very low	248 Å²	248	134.3 Å²	134.3	94%	0.936	77%	0.769	S	S	*	*			trans	-72.9	74.8	170.3	-177.3	173	-81.6	-177	-5.3	108.4	T110	T110-R112 PolarHBondContact O-N 3.28Å
113	G	31.1	Very low	34.2	Very low	50 Å²	50	135.4 Å²	135.4	52%	0.515	77%	0.77	S	S	.	*			trans	-61	142.1	-178.2	0	0	0	0	0	112.2	V111 A115	V111-G113 PolarHBondContact O-N 3.41Å; G113-A115 VanDerWaalsContact C-N 3.32Å; G113-A115 PolarHBondContact O-N 2.97Å
114	Q	36.9	Very low	34.1	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	76%	0.764	S	S	*	*			trans	-47.3	82.7	168.2	-71	-99.2	-33.8	0	0	113.2	R116	Q114-R116 PolarHBondContact O-N 2.65Å
115	A	31.9	Very low	34.2	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	75%	0.754	S	S	*	*			trans	-84.1	104	166.2	0	0	0	0	0	108.9	G113	G113-A115 VanDerWaalsContact C-N 3.32Å; G113-A115 PolarHBondContact O-N 2.97Å
116	R	34.3	Very low	34.8	Very low	221 Å²	221	130.6 Å²	130.6	83%	0.834	75%	0.747	S	S	*	*			trans	-80.2	125.9	169.5	-70	-175.7	173.4	-152.2	-1.3	109	Q114	Q114-R116 PolarHBondContact O-N 2.65Å
117	H	41.2	Very low	35.1	Very low	157 Å²	157	129.6 Å²	129.6	73%	0.727	74%	0.736	S	S	*	*			trans	-70.3	143.6	167.3	-64.5	-83.4	0	0	0	109.7	F119	H117-F119 VanDerWaalsContact C-N 3.3Å; H117-F119 PolarHBondContact O-N 2.86Å
118	P	36.5	Very low	35.6	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	75%	0.747	S	S	*	*	S	Bend	trans	-73.1	-20.4	-175.8	27.9	-34.3	0	0	0	113.7
119	F	41.8	Very low	35.9	Very low	74 Å²	74	142.8 Å²	142.8	33%	0.325	75%	0.75	S	S	.	*	S	Bend	trans	-97.3	123.9	178.4	-58.9	-70.8	0	0	0	111.2	H117 F121	H117-F119 VanDerWaalsContact C-N 3.3Å; H117-F119 PolarHBondContact O-N 2.86Å; F119-F121 HydrophobicContact CB-CE2 4.35Å; F119-F121 PolarHBondContact O-N 2.75Å
120	G	36.7	Very low	36.1	Very low	83 Å²	83	144.4 Å²	144.4	86%	0.856	75%	0.753	S	S	*	*			trans	-79.7	75.5	-170.6	0	0	0	0	0	114.5
121	F	39.8	Very low	36.1	Very low	173 Å²	173	145 Å²	145	76%	0.759	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.9	137.6	165.2	-72	-86.1	0	0	0	110.8	F119	F119-F121 HydrophobicContact CB-CE2 4.35Å; F119-F121 PolarHBondContact O-N 2.75Å
122	G	36.8	Very low	36	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.8	147	-174.1	0	0	0	0	0	113.6	V124	G122-V124 PolarHBondContact O-N 3.49Å
123	Q	33.1	Very low	36.1	Very low	194 Å²	194	138.6 Å²	138.6	91%	0.907	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-63.5	120.9	178.9	-69.3	-174.2	-13.8	0	0	111.4
124	V	34.3	Very low	36.1	Very low	115 Å²	115	139.4 Å²	139.4	70%	0.697	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-82.7	123.5	158.5	-176.9	0	0	0	0	107.1	G122	G122-V124 PolarHBondContact O-N 3.49Å
125	P	32.9	Very low	35.7	Very low	86 Å²	86	138.8 Å²	138.8	56%	0.558	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63	145.2	175.3	-21.6	33.6	0	0	0	111.7	N127	P125-N127 PolarHBondContact O-N 3.31Å
126	D	41	Very low	35.8	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-63.2	-10.1	-173.6	-65.7	-69.4	0	0	0	115.1	W128	D126-W128 PolarHBondContact O-N 2.93Å; D126-W128 VanDerWaalsContact O-N 3.08Å
127	N	40.5	Very low	35.7	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-74.1	8.9	-177.6	73.3	-18.7	0	0	0	115.4	P125	P125-N127 PolarHBondContact O-N 3.31Å
128	W	38.2	Very low	35.2	Very low	220 Å²	220	133 Å²	133	83%	0.833	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-103.9	11.8	174.9	-93.9	70.4	0	0	0	114.7	D126	D126-W128 PolarHBondContact O-N 2.93Å; D126-W128 VanDerWaalsContact O-N 3.08Å
129	R	38	Very low	35.1	Very low	231 Å²	231	136.9 Å²	136.9	87%	0.872	79%	0.788	S	S	*	*			trans	-109	37.3	177.1	-75.2	-172.6	172.8	-89.5	-0.2	114.6
130	E	34.8	Very low	34.5	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	81%	0.814	S	S	*	*			trans	-140.2	66.3	179.5	-131.9	165.3	-132.9	0	0	114.1
131	V	31.4	Very low	34.4	Very low	146 Å²	146	146.2 Å²	146.2	89%	0.885	82%	0.818	S	S	*	*			trans	-121.4	94	156.8	-178	0	0	0	0	107.7
132	A	32.9	Very low	33.9	Very low	93 Å²	93	142.5 Å²	142.5	77%	0.769	82%	0.819	S	S	*	*			trans	-73.4	138.8	177.2	0	0	0	0	0	111
133	V	34.2	Very low	33.4	Very low	154 Å²	154	150.9 Å²	150.9	93%	0.933	83%	0.829	S	S	*	*			trans	-72.6	124.1	163.1	178.6	0	0	0	0	107.6
134	G	29.8	Very low	33.2	Very low	67 Å²	67	148.2 Å²	148.2	69%	0.691	83%	0.827	S	S	*	*			trans	-159.1	137	-178.3	0	0	0	0	0	111.6
135	D	30.2	Very low	32.9	Very low	164 Å²	164	148.3 Å²	148.3	88%	0.877	83%	0.832	S	S	*	*			trans	-69.5	161	-156.8	-78.6	-62.8	0	0	0	118.3
136	S	33.7	Very low	32.8	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	85%	0.845	S	S	*	*			trans	-68.7	133.8	179.4	-57.1	0	0	0	0	113.4
137	T	32.5	Very low	32.4	Very low	148 Å²	148	148.9 Å²	148.9	91%	0.908	84%	0.844	S	S	*	*			trans	-166.9	150	145.5	14.4	0	0	0	0	111.9
138	G	30.5	Very low	32	Very low	82 Å²	82	150.9 Å²	150.9	85%	0.845	85%	0.849	S	S	*	*			trans	98.4	117.6	165.9	0	0	0	0	0	116.3
139	M	33.2	Very low	31.7	Very low	195 Å²	195	150 Å²	150	96%	0.961	85%	0.854	S	S	*	*			trans	-99.6	144	174.2	-62.9	-176.2	-176.7	0	0	112.3
140	A	30.9	Very low	31.4	Very low	105 Å²	105	149.2 Å²	149.2	87%	0.868	85%	0.852	S	S	*	*			trans	-149.9	145.2	154.8	0	0	0	0	0	111.3
141	R	33.3	Very low	31.3	Very low	249 Å²	249	149.9 Å²	149.9	94%	0.94	85%	0.854	S	S	*	*			trans	-122.7	129	176.4	-75.8	-179.1	170.7	122.2	-8.9	111.1
142	A	29.1	Very low	31.1	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	85%	0.849	S	S	*	*			trans	-149.9	113.2	154.4	0	0	0	0	0	107.6
143	R	27.7	Very low	30.9	Very low	244 Å²	244	145.6 Å²	145.6	92%	0.921	85%	0.849	S	S	*	*				60.7	86	76	-71.8	-169.1	173	-172.9	-0.8	112.9
144	T	28.3	Very low	30.7	Very low	139 Å²	139	143.9 Å²	143.9	85%	0.853	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-78.4	128.9	160.5	41.1	0	0	0	0	110
145	S	28.4	Very low	30.8	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-95.6	123.8	177.2	51.5	0	0	0	0	110.9
146	V	30.8	Very low	30.9	Very low	135 Å²	135	143 Å²	143	82%	0.818	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-87.7	121.6	172.5	178.3	0	0	0	0	109.4
147	S	31.1	Very low	30.8	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-88.9	129.5	165.6	43.7	0	0	0	0	110.2
148	Q	32.6	Very low	30.7	Very low	169 Å²	169	142.9 Å²	142.9	79%	0.79	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-87.1	148.9	171.1	-64.8	178.4	-8.4	0	0	110.2
149	Q	31.6	Very low	30.7	Very low	201 Å²	201	144.6 Å²	144.6	94%	0.939	84%	0.843	S	S	*	*			trans	-135	141.6	147.7	-112.5	173	-17.2	0	0	109.3
150	R	33	Very low	30.7	Very low	216 Å²	216	140.4 Å²	140.4	82%	0.815	84%	0.839	S	S	*	*			trans	-118.9	149.3	-177	-92	-177.7	163.5	-165.1	-3.3	109.6
151	H	31.8	Very low	30.7	Very low	200 Å²	200	141.1 Å²	141.1	93%	0.926	84%	0.838	S	S	*	*			trans	137.3	136.7	154.4	-69.8	-48.4	0	0	0	109.3
152	G	28.4	Very low	30.7	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	83%	0.832	S	S	*	*			cis	171.5	124.7	-8.1	0	0	0	0	0	112.4
153	G	27.4	Very low	30.7	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	84%	0.839	S	S	*	*			trans	88.4	154.3	177.1	0	0	0	0	0	115.1
154	S	31.2	Very low	30.9	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	84%	0.835	S	S	*	*			cis	173.9	110.2	-20.1	-103.9	0	0	0	0	107.2
155	A	31.9	Very low	31	Very low	97 Å²	97	131.3 Å²	131.3	80%	0.802	83%	0.831	S	S	*	*			trans	59.2	161.1	154.4	0	0	0	0	0	118.5
156	S	30.8	Very low	31.2	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	83%	0.83	S	S	*	*			cis	-137.4	168.7	3.7	-67.4	0	0	0	0	111
157	S	32.8	Very low	31.1	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	83%	0.825	S	S	*	*			trans	-73.2	152.7	166	49.2	0	0	0	0	112.9
158	V	30.9	Very low	31.2	Very low	149 Å²	149	138.3 Å²	138.3	90%	0.903	82%	0.823	S	S	*	*			trans	-158.5	157.7	131.4	-92.3	0	0	0	0	110.2
159	S	30	Very low	31.1	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	82%	0.824	S	S	*	*			trans	-100.5	177.3	-178.4	-51.3	0	0	0	0	112.4
160	A	31.9	Very low	32	Very low	106 Å²	106	134 Å²	134	88%	0.876	81%	0.812	S	S	*	*			trans	116.1	143.7	149.9	0	0	0	0	0	117.2
161	S	31.5	Very low	32.5	Very low	120 Å²	120	129.5 Å²	129.5	84%	0.839	81%	0.811	S	S	*	*			trans	-92.7	156.5	-179.1	47.2	0	0	0	0	112.1
162	A	32.9	Very low	32.5	Very low	98 Å²	98	125.2 Å²	125.2	81%	0.81	80%	0.803	S	S	*	*				-173	160.7	127.9	0	0	0	0	0	113.3
163	F	30.8	Very low	32.7	Very low	212 Å²	212	132.1 Å²	132.1	93%	0.93	81%	0.808	S	S	*	*			trans	-64.8	151.5	175.6	-65.6	-109.5	0	0	0	114.3
164	A	30.1	Very low	33.5	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	80%	0.804	S	S	*	*				-162.2	157.5	129.8	0	0	0	0	0	111.1
165	S	31.4	Very low	33.5	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	80%	0.8	S	S	*	*			trans	-125.1	153.1	175.1	-53	0	0	0	0	110.3
166	T	32.3	Very low	33.5	Very low	130 Å²	130	139.4 Å²	139.4	80%	0.798	80%	0.801	S	S	*	*				173.1	129.5	127	38.6	0	0	0	0	115.5
167	Y	29.8	Very low	33.7	Very low	184 Å²	184	143.2 Å²	143.2	72%	0.722	80%	0.804	S	S	*	*			trans	62.2	117.5	136.2	-83.4	-112.6	0	0	0	125.4
168	R	31.2	Very low	34	Very low	200 Å²	200	143.8 Å²	143.8	76%	0.755	81%	0.805	S	S	*	*			trans	57.9	116.6	132.1	-65.8	-169.3	-169.3	-167.4	3.4	120.4
169	Q	31.6	Very low	34.4	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.813	80%	0.803	S	S	*	*				82.2	153.5	66.8	-75.4	-96.3	-8.8	0	0	114.3
170	P	50.7	Low	35	Very low	106 Å²	106	147.3 Å²	147.3	69%	0.688	80%	0.801	S	S	*	*			cis	-105.7	-140.4	-16.8	42.6	-29.8	0	0	0	108.8
171	P	43	Very low	35.3	Very low	122 Å²	122	151.6 Å²	151.6	79%	0.792	80%	0.803	S	S	*	*			cis	-115	-149.4	-23	34	-11.4	0	0	0	110.8
172	S	31	Very low	35.6	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	80%	0.798	S	S	*	*			cis	-154.2	-163.1	8.1	65.5	0	0	0	0	113.8
173	Y	33.8	Very low	36.1	Very low	220 Å²	220	151.1 Å²	151.1	86%	0.863	80%	0.796	S	S	*	*			trans	-110.4	174.9	-174.9	-76.7	-76.3	0	0	0	113.8
174	P	43.5	Very low	36.3	Very low	106 Å²	106	151.1 Å²	151.1	69%	0.688	80%	0.796	S	S	*	*			cis	-134.3	163	-30.2	34.2	-18	0	0	0	114.5
175	Q	32.3	Very low	36.3	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.752	79%	0.793	S	S	*	*			trans	-153.8	167.9	149.1	-102.7	-49.1	-26.7	0	0	112.5
176	Q	32.1	Very low	36.3	Very low	175 Å²	175	152 Å²	152	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-99.8	157	-156.2	-64.4	166	-84.8	0	0	116.3
177	F	34.1	Very low	36.1	Very low	195 Å²	195	154.5 Å²	154.5	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-101.5	146.8	175.2	-71.7	-93.9	0	0	0	112.8
178	P	40	Very low	36.1	Very low	123 Å²	123	156.1 Å²	156.1	80%	0.799	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.5	152	158.2	-9.6	27.7	0	0	0	112.5
179	Y	38.3	Very low	36.1	Very low	220 Å²	220	155.1 Å²	155.1	86%	0.863	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.8	151.6	176.7	-79.2	-101	0	0	0	112.9
180	P	43.3	Very low	36	Very low	121 Å²	121	154.6 Å²	154.6	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.7	147.2	168.8	32.1	-34.7	0	0	0	111.8
181	Q	37.7	Very low	35.1	Very low	195 Å²	195	158.9 Å²	158.9	91%	0.911	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-89	149.3	171.5	-70.9	-169.5	-19.6	0	0	111.9
182	A	38.6	Very low	34.6	Very low	89 Å²	89	159 Å²	159	74%	0.736	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.3	150	173.3	0	0	0	0	0	111.5
183	P	43.2	Very low	34.9	Very low	120 Å²	120	159.5 Å²	159.5	78%	0.779	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.9	153.1	173.6	29.9	-34.9	0	0	0	111.8
184	F	33.9	Very low	35.1	Very low	212 Å²	212	152.8 Å²	152.8	93%	0.93	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.1	134.6	179.7	-85.1	-109.4	0	0	0	112.1
185	V	30.9	Very low	34.6	Very low	127 Å²	127	152.7 Å²	152.7	77%	0.77	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-83.6	117.9	166.5	177.1	0	0	0	0	108.8	Q187	V185-Q187 PolarHBondContact O-N 3.09Å
186	S	31.3	Very low	34.6	Very low	103 Å²	103	155.9 Å²	155.9	72%	0.72	80%	0.802	S	S	*	*			trans	-75.8	97.4	167.2	54.8	0	0	0	0	109.8	Y188	S186-Y188 PolarHBondContact O-N 3.42Å; S186-Y188 VanDerWaalsContact O-N 3.11Å
187	Q	27.5	Very low	34.5	Very low	182 Å²	182	154 Å²	154	85%	0.85	80%	0.802	S	S	*	*			trans	-69.7	104	166	-71.4	-172.6	-76.4	0	0	108.8	V185	V185-Q187 PolarHBondContact O-N 3.09Å
188	Y	30.6	Very low	34.3	Very low	218 Å²	218	155.4 Å²	155.4	86%	0.855	80%	0.804	S	S	*	*			trans	-86.9	113.4	160.6	-117.6	-93.3	0	0	0	107.3	S186	S186-Y188 PolarHBondContact O-N 3.42Å; S186-Y188 VanDerWaalsContact O-N 3.11Å
189	E	29.9	Very low	33.8	Very low	179 Å²	179	156.4 Å²	156.4	84%	0.836	80%	0.802	S	S	*	*			trans	-70.4	136.7	170.1	-79.8	176.5	101.4	0	0	109.9	Y191	E189-Y191 PolarHBondContact O-N 3.27Å
190	N	31.3	Very low	33.7	Very low	163 Å²	163	154.5 Å²	154.5	87%	0.872	80%	0.801	S	S	*	*			trans	-69.7	116.8	175.1	-82	-46.8	0	0	0	109.5	D192	N190-D192 PolarHBondContact O-N 2.87Å
191	Y	30.4	Very low	32.9	Very low	195 Å²	195	151.4 Å²	151.4	77%	0.765	79%	0.791	S	S	*	*			trans	-85.1	90.2	170.6	-160.3	-84.3	0	0	0	109.5	E189 P193	E189-Y191 PolarHBondContact O-N 3.27Å; Y191-P193 WeakPolarHBondContact O-CD 3.48Å
192	D	32.8	Very low	32.6	Very low	124 Å²	124	152.3 Å²	152.3	66%	0.663	79%	0.792	S	S	*	*			trans	-82	115.2	179.1	-172.7	-4.7	0	0	0	111	N190 A194	N190-D192 PolarHBondContact O-N 2.87Å; D192-A194 PolarHBondContact O-N 2.98Å; D192-A194 VanDerWaalsContact O-N 3.15Å; D192-A194 WeakPolarHBondContact OD1-CB 3.38Å; D192-A194 PolarHBondContact OD1-N 2.83Å
193	P	38.3	Very low	32.1	Very low	122 Å²	122	154 Å²	154	79%	0.792	79%	0.793	S	S	*	*			trans	-85	30.5	-175.5	36.8	-36.4	0	0	0	113.7	Y191	Y191-P193 WeakPolarHBondContact O-CD 3.48Å
194	A	37.3	Very low	31.4	Very low	78 Å²	78	158.5 Å²	158.5	65%	0.645	80%	0.796	S	S	*	*			trans	-112.9	12	-166.9	0	0	0	0	0	117.5	D192	D192-A194 PolarHBondContact O-N 2.98Å; D192-A194 VanDerWaalsContact O-N 3.15Å; D192-A194 WeakPolarHBondContact OD1-CB 3.38Å; D192-A194 PolarHBondContact OD1-N 2.83Å
195	S	33.2	Very low	31.1	Very low	105 Å²	105	158.5 Å²	158.5	73%	0.734	79%	0.792	S	S	*	*			trans	-153.2	109.8	167.9	63.2	0	0	0	0	115.3
196	R	31.1	Very low	31	Very low	228 Å²	228	163.3 Å²	163.3	86%	0.86	80%	0.796	S	S	*	*			trans	-138.2	66.1	159.3	-77.6	-164.4	177.9	-172.2	1.4	111.3	Y198	R196-Y198 PolarHBondContact O-N 2.93Å
197	T	30.6	Very low	31.5	Very low	135 Å²	135	163.6 Å²	163.6	83%	0.828	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.8	122.1	160.9	43.5	0	0	0	0	109.2	D199	T197-D199 PolarHBondContact O-N 2.64Å
198	Y	31	Very low	31.7	Very low	225 Å²	225	159.7 Å²	159.7	88%	0.882	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.5	125.2	168	-107.7	-101.1	0	0	0	109.2	R196	R196-Y198 PolarHBondContact O-N 2.93Å
199	D	28.9	Very low	31.7	Very low	143 Å²	143	153.3 Å²	153.3	77%	0.765	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.5	127.4	166.6	-167.7	-20.8	0	0	0	108.8	T197 G201	T197-D199 PolarHBondContact O-N 2.64Å; D199-G201 PolarHBondContact OD1-N 3.05Å; D199-G201 VanDerWaalsContact OD1-N 3.12Å
200	Q	35.3	Very low	31.7	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	80%	0.797	S	S	*	*			trans	-138.5	71.2	171.9	-132.8	-176	13.7	0	0	108.7
201	G	28	Very low	31.7	Very low	55 Å²	55	145 Å²	145	57%	0.567	80%	0.796	S	S	*	*			trans	-63	138.4	-174.2	0	0	0	0	0	115.1	D199	D199-G201 PolarHBondContact OD1-N 3.05Å; D199-G201 VanDerWaalsContact OD1-N 3.12Å
202	F	30.3	Very low	31.8	Very low	215 Å²	215	145.5 Å²	145.5	94%	0.943	81%	0.807	S	S	*	*			trans	-121.3	133.5	153.1	-88.9	-86.2	0	0	0	109
203	V	28.8	Very low	31.7	Very low	125 Å²	125	143.4 Å²	143.4	76%	0.758	82%	0.816	S	S	*	*			trans	-109.3	132.2	-173.3	173.3	0	0	0	0	109.7
204	Y	27.7	Very low	31.5	Very low	213 Å²	213	142.8 Å²	142.8	84%	0.835	82%	0.82	S	S	*	*			trans	-155.3	140.3	145.2	-95.2	-58.9	0	0	0	114.2
205	Y	28.3	Very low	31.2	Very low	213 Å²	213	142.8 Å²	142.8	84%	0.835	83%	0.828	S	S	*	*			trans	57	108	162.4	-83.7	-78.5	0	0	0	124.1
206	R	28.3	Very low	31.1	Very low	227 Å²	227	142.4 Å²	142.4	86%	0.857	83%	0.831	S	S	*	*			trans	-53.7	177.7	145.3	-113.8	-178.7	177.3	-174.9	0.3	113.5
207	P	42.8	Very low	31.2	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	83%	0.829	S	S	*	*			cis	-142.3	-180	-5.6	39.4	-20.3	0	0	0	117.8
208	A	30.9	Very low	31.2	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	83%	0.827	S	S	*	*			trans	90.8	140.4	139.5	0	0	0	0	0	121.8
209	G	30.5	Very low	31.4	Very low	83 Å²	83	131 Å²	131	86%	0.856	83%	0.83	S	S	*	*			trans	85.1	123.3	172.3	0	0	0	0	0	114.9
210	G	31	Very low	31.6	Very low	86 Å²	86	128.9 Å²	128.9	89%	0.887	83%	0.832	S	S	*	*			cis	116.3	113	-11.8	0	0	0	0	0	114.5
211	G	30.7	Very low	31.4	Very low	83 Å²	83	126 Å²	126	86%	0.856	83%	0.832	S	S	*	*			trans	128.9	132.3	166.2	0	0	0	0	0	115.6
212	M	31.4	Very low	31.5	Very low	204 Å²	204	128.4 Å²	128.4	100%	1.005	85%	0.846	S	S	*	*			trans	-75.4	159	169.9	-62.5	154.4	162.3	0	0	111.4
213	G	31.5	Very low	31.5	Very low	81 Å²	81	121.9 Å²	121.9	84%	0.835	84%	0.839	S	S	*	*			trans	-176	114.1	164	0	0	0	0	0	112.4
214	A	34	Very low	31.7	Very low	108 Å²	108	122.4 Å²	122.4	89%	0.893	84%	0.843	S	S	*	*			trans	-125.4	142.3	177.9	0	0	0	0	0	111.3
215	G	31.2	Very low	31.9	Very low	79 Å²	79	120 Å²	120	81%	0.814	84%	0.843	S	S	*	*			trans	114.3	160.4	-178.9	0	0	0	0	0	112.8
216	A	31.5	Very low	32	Very low	96 Å²	96	120.2 Å²	120.2	79%	0.793	84%	0.844	S	S	*	*			cis	-169.4	156.8	-15.3	0	0	0	0	0	108.2
217	A	31.9	Very low	33.1	Very low	98 Å²	98	114.1 Å²	114.1	81%	0.81	83%	0.833	S	S	*	*			trans	59.3	124.2	177.1	0	0	0	0	0	115.9
218	A	32.3	Very low	32.4	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	84%	0.841	S	S	*	*			cis	78.1	108.7	44.4	0	0	0	0	0	115
219	V	34.8	Very low	32.6	Very low	157 Å²	157	122.5 Å²	122.5	95%	0.952	84%	0.838	S	S	*	*			trans	-156.7	157.2	137.2	-96.5	0	0	0	0	108.3
220	A	32.2	Very low	33	Very low	97 Å²	97	125 Å²	125	80%	0.802	84%	0.839	S	S	*	*			trans	-140	147	177.7	0	0	0	0	0	110.4
221	S	30.6	Very low	32.8	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	84%	0.838	S	S	*	*			trans	-171	140.7	146.2	54.5	0	0	0	0	113.6
222	A	31.2	Very low	32.8	Very low	104 Å²	104	132.3 Å²	132.3	86%	0.86	83%	0.834	S	S	*	*			trans	-28.6	148.5	172.3	0	0	0	0	0	120.5
223	G	30.1	Very low	32.7	Very low	78 Å²	78	130.2 Å²	130.2	80%	0.804	82%	0.815	S	S	*	*			trans	-161.2	138.7	157.8	0	0	0	0	0	109.3
224	V	33.3	Very low	32.7	Very low	136 Å²	136	137 Å²	137	82%	0.824	82%	0.817	S	S	*	*			trans	-133	160.9	-171	-170.8	0	0	0	0	110
225	I	31.6	Very low	32.7	Very low	164 Å²	164	137 Å²	137	84%	0.841	80%	0.799	S	S	*	*			trans	111.6	123.9	162.8	-59.6	171.2	0	0	0	115.3
226	Y	30.7	Very low	32.7	Very low	217 Å²	217	140.2 Å²	140.2	85%	0.851	79%	0.792	S	S	*	*			trans	-79.5	-178.2	170.3	-91.1	-96.4	0	0	0	111.2
227	P	51.8	Low	32.6	Very low	98 Å²	98	146 Å²	146	64%	0.636	80%	0.795	S	S	*	*			cis	-135.2	-161.9	2.5	19	9.8	0	0	0	114.6
228	Y	27	Very low	32.6	Very low	223 Å²	223	144.9 Å²	144.9	88%	0.875	79%	0.793	S	S	*	*			trans	87.3	131.9	159.5	-78.2	-82	0	0	0	120.8
229	Q	35.6	Very low	32.5	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	80%	0.797	S	S	*	*			trans	-82.7	166.3	158.8	-66.4	-176.8	-28.6	0	0	110.3
230	P	38.1	Very low	32.3	Very low	134 Å²	134	140.5 Å²	140.5	87%	0.87	79%	0.788	S	S	*	*				-126.5	-180	111.4	37.1	-32.8	0	0	0	114.1
231	R	27.5	Very low	32.3	Very low	229 Å²	229	144.8 Å²	144.8	86%	0.864	79%	0.792	S	S	*	*			trans	-124.8	148.3	-166.3	-176.8	-166.9	-165.7	117	-5.6	109.5
232	A	31.3	Very low	32.4	Very low	95 Å²	95	147.4 Å²	147.4	79%	0.785	79%	0.791	S	S	*	*			trans	152.3	164.3	151.1	0	0	0	0	0	112.5
233	R	29.5	Very low	32.3	Very low	160 Å²	160	150.2 Å²	150.2	60%	0.604	79%	0.79	S	S	*	*			cis	-177.4	135.3	-34.9	178	169.2	179.7	-108.4	-4.7	108.2	E235 E236	R233-E235 HydrophobicContact CG-CG 4.28Å; R233-E235 VanDerWaalsContact CZ-CG 3.43Å; R233-E235 IonicContact CZ-OE1 3.29Å; R233-E235 IonicContact CZ-OE2 2.99Å; R233-E235 IonicContact NH1-OE1 2.95Å; R233-E235 PolarHBondContact NH1-OE1 2.82Å; R233-E235 IonicContact NH1-OE2 2.68Å; R233-E235 PolarHBondContact NH1-OE2 3.42Å; R233-E235 VanDerWaalsContact NH1-OE2 3.13Å; R233-E235 VanDerWaalsContact NH2-CG 3.32Å; R233-E235 IonicContact NH2-OE1 2.69Å; R233-E235 PolarHBondContact NH2-OE1 2.92Å; R233-E236 IonicContact NH2-OE2 2.74Å
234	Y	30.8	Very low	32.9	Very low	223 Å²	223	152 Å²	152	88%	0.875	79%	0.788	S	S	*	*			trans	-155.8	125.8	153.3	-88.8	-78.3	0	0	0	104
235	E	33.4	Very low	33.3	Very low	109 Å²	109	154.4 Å²	154.4	51%	0.509	79%	0.79	S	S	.	*			cis	65.9	134.3	41	-66.9	-176.5	131.5	0	0	114.9	R233	R233-E235 HydrophobicContact CG-CG 4.28Å; R233-E235 VanDerWaalsContact CZ-CG 3.43Å; R233-E235 IonicContact CZ-OE1 3.29Å; R233-E235 IonicContact CZ-OE2 2.99Å; R233-E235 IonicContact NH1-OE1 2.95Å; R233-E235 PolarHBondContact NH1-OE1 2.82Å; R233-E235 IonicContact NH1-OE2 2.68Å; R233-E235 PolarHBondContact NH1-OE2 3.42Å; R233-E235 VanDerWaalsContact NH1-OE2 3.13Å; R233-E235 VanDerWaalsContact NH2-CG 3.32Å; R233-E235 IonicContact NH2-OE1 2.69Å; R233-E235 PolarHBondContact NH2-OE1 2.92Å
236	E	30.6	Very low	33.2	Very low	145 Å²	145	157.4 Å²	157.4	68%	0.678	79%	0.792	S	S	*	*			cis	-170.7	141.4	-22.4	-166	155.8	119.7	0	0	109	R233	R233-E236 IonicContact NH2-OE2 2.74Å
237	Y	30.5	Very low	33.7	Very low	219 Å²	219	152.1 Å²	152.1	86%	0.859	79%	0.785	S	S	*	*				173.7	135.2	128.3	-127	-102.9	0	0	0	115.2
238	G	30.7	Very low	33.6	Very low	74 Å²	74	152.7 Å²	152.7	76%	0.763	79%	0.789	S	S	*	*			trans	72.6	128.3	152	0	0	0	0	0	119.6
239	G	30.6	Very low	33.8	Very low	84 Å²	84	151.5 Å²	151.5	87%	0.866	79%	0.791	S	S	*	*			cis	154.5	125	-11.4	0	0	0	0	0	113.9
240	G	30.6	Very low	33.9	Very low	75 Å²	75	147 Å²	147	77%	0.773	79%	0.789	S	S	*	*			trans	87.7	145.8	171.7	0	0	0	0	0	115.9
241	E	31.9	Very low	33.5	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	79%	0.79	S	S	*	*			cis	-144.6	147.8	-5.8	-65.2	-173	118.8	0	0	110.9
242	E	33.7	Very low	33.8	Very low	178 Å²	178	149.9 Å²	149.9	83%	0.832	79%	0.79	S	S	*	*			trans	31.4	121.2	160.6	-51.8	-172.5	133.5	0	0	121.4
243	L	29.6	Very low	34.5	Very low	162 Å²	162	151.2 Å²	151.2	85%	0.848	79%	0.791	S	S	*	*			cis	78.8	151.4	49.5	-71.1	166.2	0	0	0	115.5
244	P	42.8	Very low	34.9	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	80%	0.796	S	S	*	*			cis	-128.8	167.8	-13.5	39.1	-24	0	0	0	115
245	E	40.8	Very low	35.7	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	79%	0.794	S	S	*	*			trans	-128.3	128.2	164.3	-173	169.7	161.2	0	0	109.4
246	Y	30.3	Very low	36	Very low	227 Å²	227	147.4 Å²	147.4	89%	0.89	81%	0.813	S	S	*	*			trans	-151.9	150.9	171.8	-117.4	-90.9	0	0	0	112
247	P	40.5	Very low	36.7	Very low	106 Å²	106	151.7 Å²	151.7	69%	0.688	82%	0.823	S	S	*	*			trans	-122.6	-137.1	-165.1	41	-21.7	0	0	0	110.8
248	P	50.2	Low	37.4	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	82%	0.821	S	S	*	*				-118	155.9	-56	30.3	-15.5	0	0	0	112.8
249	Q	30.8	Very low	38.1	Very low	197 Å²	197	153 Å²	153	92%	0.921	82%	0.821	S	S	*	*			trans	-144.5	149.9	148.9	-73.5	-159.1	-1.6	0	0	110.7
250	G	37	Very low	39.2	Very low	70 Å²	70	154.8 Å²	154.8	72%	0.722	82%	0.815	S	S	*	*			trans	-115.7	158.9	178.8	0	0	0	0	0	112.5
251	F	31.1	Very low	40.4	Very low	206 Å²	206	155.6 Å²	155.6	90%	0.904	81%	0.807	S	S	*	*			trans	-146.7	150.5	177.8	-128.6	-96.3	0	0	0	111.7
252	Y	34.2	Very low	41.6	Very low	218 Å²	218	151.6 Å²	151.6	86%	0.855	80%	0.797	S	S	*	*			trans	-80.9	159.1	171.6	-93.7	-103.4	0	0	0	111
253	P	45.7	Very low	42.6	Very low	123 Å²	123	148.7 Å²	148.7	80%	0.799	79%	0.794	S	S	*	*			trans	-79	154	-162.7	31.3	-36.4	0	0	0	114.8
254	A	37.8	Very low	44	Very low	87 Å²	87	146.6 Å²	146.6	72%	0.719	79%	0.79	S	S	*	*			trans	-105.9	152.6	165.2	0	0	0	0	0	110
255	P	46.1	Very low	44.6	Very low	128 Å²	128	146.5 Å²	146.5	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.5	140.5	-172.2	29.5	-35.5	0	0	0	113.3
256	E	41.2	Very low	45.3	Very low	196 Å²	196	143.2 Å²	143.2	92%	0.916	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.4	153.3	175.4	-64.6	-164.1	137.9	0	0	112.9
257	R	44.6	Very low	46.5	Very low	235 Å²	235	137.9 Å²	137.9	89%	0.887	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-101.5	140.5	166.2	-72.7	-176.2	171.2	-162.9	-2.1	109.6	Y259	R257-Y259 PolarHBondContact O-N 2.81Å
258	P	45.7	Very low	46.9	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-60.6	133.3	176	-23	33.7	0	0	0	112.6
259	Y	44.6	Very low	47.2	Very low	196 Å²	196	139 Å²	139	77%	0.769	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.7	135.7	167.6	-178.6	-92.3	0	0	0	109.9	R257 P261	R257-Y259 PolarHBondContact O-N 2.81Å; Y259-P261 HydrophobicContact CE1-CB 4.32Å
260	V	54.4	Low	48.5	Very low	121 Å²	121	137 Å²	137	73%	0.733	78%	0.78	S	S	*	*			trans	-117.9	120.9	175.9	-179.2	0	0	0	0	108.4
261	P	55.4	Low	49.2	Very low	93 Å²	93	137.7 Å²	137.7	60%	0.604	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.9	149.6	178.4	30.4	-34.6	0	0	0	111.7	Y259	Y259-P261 HydrophobicContact CE1-CB 4.32Å
262	P	57.2	Low	49.9	Very low	103 Å²	103	134.6 Å²	134.6	67%	0.669	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.2	154.7	176	30.7	-35.3	0	0	0	112.2
263	P	54.2	Low	50.6	Low	117 Å²	117	129.3 Å²	129.3	76%	0.76	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-70.1	153.9	178.2	30	-35.7	0	0	0	112.6
264	P	60.6	Low	50.7	Low	118 Å²	118	133.8 Å²	133.8	77%	0.766	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-71.3	155	178.2	30.5	-35.8	0	0	0	112.6
265	P	54.9	Low	51.2	Low	115 Å²	115	138.7 Å²	138.7	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-70.1	155.6	175.2	30.8	-35.7	0	0	0	112.2
266	P	53.9	Low	51	Low	116 Å²	116	143.5 Å²	143.5	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-68.7	153.4	177.7	29.6	-35.7	0	0	0	112.4
267	P	57.5	Low	50.9	Low	115 Å²	115	138.8 Å²	138.8	75%	0.747	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-68.4	155.7	177	29.8	-35.6	0	0	0	112.2
268	P	48	Very low	50.5	Low	112 Å²	112	136.2 Å²	136.2	73%	0.727	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.1	153.5	173.1	30.2	-35.6	0	0	0	111.4	D270	P268-D270 PolarHBondContact O-N 2.9Å
269	P	56.6	Low	50.2	Low	127 Å²	127	135.8 Å²	135.8	83%	0.825	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.8	122.2	-178.6	28.7	-34.1	0	0	0	112.1	G271	P269-G271 PolarHBondContact O-N 2.82Å
270	D	57	Low	49.9	Very low	157 Å²	157	134.3 Å²	134.3	84%	0.84	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.4	116.3	170.3	-85.3	-38.3	0	0	0	110.9	P268 L272	P268-D270 PolarHBondContact O-N 2.9Å; D270-L272 PolarHBondContact O-N 3.49Å
271	G	52.3	Low	49	Very low	84 Å²	84	139.5 Å²	139.5	87%	0.866	77%	0.769	S	S	*	*			trans	-73.8	41.8	-177.1	0	0	0	0	0	115.3	P269 D273	P269-G271 PolarHBondContact O-N 2.82Å; G271-D273 PolarHBondContact O-N 2.86Å
272	L	46.8	Very low	47.8	Very low	141 Å²	141	141.4 Å²	141.4	74%	0.738	78%	0.784	S	S	*	*			trans	-86.5	99.5	-177.9	-124.9	75.8	0	0	0	111.5	D270 R274	D270-L272 PolarHBondContact O-N 3.49Å; L272-R274 PolarHBondContact O-N 2.92Å
273	D	47.3	Very low	46.5	Very low	107 Å²	107	145.7 Å²	145.7	57%	0.572	80%	0.795	S	S	*	*			trans	-71.6	97.9	176.4	-165.7	-20	0	0	0	111.2	G271 R275	G271-D273 PolarHBondContact O-N 2.86Å; D273-R275 PolarHBondContact O-N 2.94Å; D273-R275 WeakPolarHBondContact OD1-CB 3.42Å; D273-R275 WeakPolarHBondContact OD1-CG 3.3Å; D273-R275 IonicContact OD1-CZ 3.3Å; D273-R275 PolarHBondContact OD1-N 2.78Å; D273-R275 IonicContact OD1-NE 2.7Å; D273-R275 PolarHBondContact OD1-NE 2.93Å; D273-R275 IonicContact OD1-NH2 3.41Å; D273-R275 PolarHBondContact OD1-NH2 3.01Å; D273-R275 IonicContact OD2-CZ 2.71Å; D273-R275 IonicContact OD2-NE 3.64Å; D273-R275 PolarHBondContact OD2-NE 3.27Å; D273-R275 IonicContact OD2-NH2 3.86Å; D273-R275 PolarHBondContact OD2-NH2 2.92Å
274	R	49.6	Very low	45.5	Very low	216 Å²	216	143.6 Å²	143.6	82%	0.815	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	14.2	-174.4	-67.2	-173.6	175.4	-173.9	-1.8	115.2	L272 Y276	L272-R274 PolarHBondContact O-N 2.92Å; R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 PolarHBondContact O-N 3.43Å
275	R	48.4	Very low	44.1	Very low	190 Å²	190	144.9 Å²	144.9	72%	0.717	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-1.2	-174	-79.9	179.9	-77.6	-157.6	-1.2	116.6	D273	D273-R275 PolarHBondContact O-N 2.94Å; D273-R275 WeakPolarHBondContact OD1-CB 3.42Å; D273-R275 WeakPolarHBondContact OD1-CG 3.3Å; D273-R275 IonicContact OD1-CZ 3.3Å; D273-R275 PolarHBondContact OD1-N 2.78Å; D273-R275 IonicContact OD1-NE 2.7Å; D273-R275 PolarHBondContact OD1-NE 2.93Å; D273-R275 IonicContact OD1-NH2 3.41Å; D273-R275 PolarHBondContact OD1-NH2 3.01Å; D273-R275 IonicContact OD2-CZ 2.71Å; D273-R275 IonicContact OD2-NE 3.64Å; D273-R275 PolarHBondContact OD2-NE 3.27Å; D273-R275 IonicContact OD2-NH2 3.86Å; D273-R275 PolarHBondContact OD2-NH2 2.92Å
276	Y	41.5	Very low	43	Very low	229 Å²	229	146.5 Å²	146.5	90%	0.898	81%	0.809	S	S	*	*			trans	-131.4	74.5	174.3	-76	-81.5	0	0	0	112.9	R274	R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 PolarHBondContact O-N 3.43Å
277	S	37.6	Very low	41.9	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	81%	0.808	S	S	*	*			trans	-132	74.2	165.9	63.9	0	0	0	0	111
278	H	37	Very low	40.6	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	81%	0.81	S	S	*	*			trans	-105.3	112.2	169	-81.5	-73.4	0	0	0	110.1	L280	H278-L280 PolarHBondContact O-N 2.92Å
279	S	39.5	Very low	39.9	Very low	116 Å²	116	149.5 Å²	149.5	81%	0.811	81%	0.809	S	S	*	*			trans	-74.2	119.1	-179.4	-55.1	0	0	0	0	111.6	Y281	S279-Y281 VanDerWaalsContact C-N 3.31Å; S279-Y281 PolarHBondContact O-N 2.99Å
280	L	38.7	Very low	38.7	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	81%	0.808	S	S	*	*			trans	-87.6	62.6	173.9	-92.1	171.3	0	0	0	112.3	H278	H278-L280 PolarHBondContact O-N 2.92Å
281	Y	34.2	Very low	37.4	Very low	230 Å²	230	148.2 Å²	148.2	90%	0.902	80%	0.802	S	S	*	*			trans	-149.6	111.1	157.3	-84	-67.2	0	0	0	109.9	S279	S279-Y281 VanDerWaalsContact C-N 3.31Å; S279-Y281 PolarHBondContact O-N 2.99Å
282	S	30.7	Very low	36.6	Very low	133 Å²	133	155.3 Å²	155.3	93%	0.93	80%	0.804	S	S	*	*			trans	-103.4	113.2	168.4	-58.1	0	0	0	0	108.5
283	E	30.7	Very low	36.3	Very low	194 Å²	194	153.7 Å²	153.7	91%	0.907	80%	0.802	S	S	*	*			trans	-103.2	139.9	162.7	-166.9	163	-140.5	0	0	108.4
284	G	33.6	Very low	35.6	Very low	73 Å²	73	155.5 Å²	155.5	75%	0.753	81%	0.812	S	S	*	*			trans	-101.4	125.6	-164.2	0	0	0	0	0	113.9
285	T	30.8	Very low	35	Very low	145 Å²	145	150.8 Å²	150.8	89%	0.89	81%	0.81	S	S	*	*			trans	-140.8	131.3	164.2	6.5	0	0	0	0	111.2
286	T	31.1	Very low	34.2	Very low	148 Å²	148	144.4 Å²	144.4	91%	0.908	80%	0.802	S	S	*	*			trans	-96	127.1	179.6	51.2	0	0	0	0	111
287	G	30.5	Very low	35.1	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	80%	0.798	S	S	*	*			trans	-174.9	86	179.1	0	0	0	0	0	115.4
288	F	31.2	Very low	34.7	Very low	184 Å²	184	144.4 Å²	144.4	81%	0.807	81%	0.811	S	S	*	*			trans	10.1	129.8	155.6	-72.8	-97.1	0	0	0	121.6
289	E	32.4	Very low	34.4	Very low	151 Å²	151	140.2 Å²	140.2	71%	0.706	81%	0.808	S	S	*	*			trans	69.3	153.4	142.5	-68	-179.6	95.6	0	0	118.1
290	Q	31.7	Very low	35.1	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	81%	0.805	S	S	*	*			cis	-144.7	167.2	3.8	-131.9	160.3	41.4	0	0	109.1
291	A	30.3	Very low	34.8	Very low	86 Å²	86	142 Å²	142	71%	0.711	81%	0.809	S	S	*	*			trans	-123.5	141.3	-178.8	0	0	0	0	0	112.5
292	Y	35	Very low	34.6	Very low	232 Å²	232	135 Å²	135	91%	0.91	80%	0.798	S	S	*	*				-174.3	168.9	128.8	-113.4	-121.1	0	0	0	109.9
293	P	39.6	Very low	34.6	Very low	107 Å²	107	140 Å²	140	70%	0.695	80%	0.799	S	S	*	*			trans	-103	165	-149.9	39.1	-37.6	0	0	0	117.1
294	D	32.9	Very low	34.4	Very low	146 Å²	146	134.8 Å²	134.8	78%	0.781	80%	0.797	S	S	*	*			trans	-80	145.5	168.3	176.1	45.6	0	0	0	112.5	G296	D294-G296 PolarHBondContact OD1-N 2.98Å
295	P	38.3	Very low	34.2	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	80%	0.802	S	S	*	*			trans	-138.2	106.8	140.9	35	-19.2	0	0	0	113.4
296	G	31.3	Very low	34.4	Very low	55 Å²	55	134.8 Å²	134.8	57%	0.567	79%	0.794	S	S	*	*			trans	-76.2	-170.5	148.2	0	0	0	0	0	112.2	D294	D294-G296 PolarHBondContact OD1-N 2.98Å
297	P	59.2	Low	35.2	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	78%	0.783	S	S	*	*			cis	-127	166.8	-5.7	41	-28	0	0	0	113.4
298	E	29.3	Very low	35.2	Very low	202 Å²	202	139.2 Å²	139.2	94%	0.944	79%	0.785	S	S	*	*			trans	-163.1	170.2	141.5	-118.7	167.6	-167.3	0	0	112.1
299	A	30.7	Very low	35.3	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	79%	0.791	S	S	*	*			trans	-126.1	-162.1	-163.6	0	0	0	0	0	112.4
300	P	55.6	Low	35.1	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	79%	0.788	S	S	*	*				-111	168.9	-124.7	40.1	-27.2	0	0	0	114.9
301	Q	31	Very low	34.9	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	80%	0.796	S	S	*	*			trans	-146	161.9	158.9	-114	160.8	50.4	0	0	112.4
302	A	30.2	Very low	34.8	Very low	83 Å²	83	145.3 Å²	145.3	69%	0.686	80%	0.804	S	S	*	*			trans	-121.5	-150.7	-158.7	0	0	0	0	0	113.1
303	Y	30.5	Very low	36	Very low	240 Å²	240	139.7 Å²	139.7	94%	0.941	80%	0.796	S	S	*	*			trans	71.4	134.7	-170	-48.7	-82	0	0	0	113.9
304	G	27.7	Very low	36.9	Very low	84 Å²	84	139 Å²	139	87%	0.866	79%	0.792	S	S	*	*			cis	154.5	138.7	-10.3	0	0	0	0	0	112.6
305	G	28.7	Very low	37	Very low	83 Å²	83	142.6 Å²	142.6	86%	0.856	80%	0.796	S	S	*	*			trans	122.1	111.9	166.6	0	0	0	0	0	117.3
306	D	35.2	Very low	36.7	Very low	134 Å²	134	141 Å²	141	72%	0.717	79%	0.793	S	S	*	*			trans	-74.9	164.4	145.4	-155.5	42.7	0	0	0	107.1
307	P	47	Very low	36.9	Very low	106 Å²	106	145.9 Å²	145.9	69%	0.688	81%	0.806	S	S	*	*			cis	-147.6	163.3	27	42.7	-21.1	0	0	0	121.1
308	R	32	Very low	36.5	Very low	206 Å²	206	144.7 Å²	144.7	78%	0.777	80%	0.798	S	S	*	*			trans	15	128.4	140.2	-42.1	166.8	88.1	101	-2.5	119.7
309	L	32.4	Very low	37.9	Very low	176 Å²	176	140.3 Å²	140.3	92%	0.921	79%	0.787	S	S	*	*				153.1	125.8	117.4	-82.5	167.7	0	0	0	116.4
310	G	28	Very low	38.8	Very low	63 Å²	63	142 Å²	142	65%	0.649	79%	0.79	S	S	*	*				111.2	141	128	0	0	0	0	0	123.3
311	W	27.4	Very low	37.8	Very low	258 Å²	258	144.6 Å²	144.6	98%	0.977	79%	0.792	S	S	*	*			trans	86	102.8	145.1	-57.9	97.9	0	0	0	124.2
312	Y	28.8	Very low	37.8	Very low	225 Å²	225	139.8 Å²	139.8	88%	0.882	79%	0.786	S	S	*	*			trans	-37.8	178	164.3	-79.7	-62.2	0	0	0	123
313	P	61.1	Low	37.8	Very low	113 Å²	113	146.2 Å²	146.2	73%	0.734	79%	0.794	S	S	*	*			trans	-104.2	-118.1	-164	34	-12.2	0	0	0	113.9
314	P	58.3	Low	37.7	Very low	93 Å²	93	138.1 Å²	138.1	60%	0.604	78%	0.783	S	S	*	*			cis	-142.3	-156.4	20.5	32.9	-4	0	0	0	116.7
315	Y	34.5	Very low	38.6	Very low	221 Å²	221	140.3 Å²	140.3	87%	0.867	78%	0.782	S	S	*	*			trans	77.8	144.3	168.4	-64.3	-62.7	0	0	0	119.5
316	A	32.3	Very low	39.7	Very low	84 Å²	84	141.9 Å²	141.9	69%	0.694	78%	0.778	S	S	*	*			cis	-159.2	-166.9	-8.2	0	0	0	0	0	109.2
317	N	36	Very low	39.5	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	79%	0.79	S	S	*	*			cis	-161.3	170.8	2.9	-140.5	22.4	0	0	0	111.4
318	P	49.3	Very low	38.9	Very low	101 Å²	101	147.1 Å²	147.1	66%	0.656	79%	0.793	S	S	*	*			trans	-126	-154.9	-173.4	46	-33.2	0	0	0	114.5
319	P	58.4	Low	38.9	Very low	109 Å²	109	145.4 Å²	145.4	71%	0.708	80%	0.798	S	S	*	*			cis	-122.1	-159.5	-44.3	34.2	-12.7	0	0	0	111.9
320	P	51	Low	38.7	Very low	128 Å²	128	145.4 Å²	145.4	83%	0.831	79%	0.794	S	S	*	*				-148.8	-176.5	82.9	39.6	-19.3	0	0	0	116.5
321	E	33.5	Very low	39.5	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.813	80%	0.798	S	S	*	*			trans	-112.5	165.7	-173	-57.2	165.6	80	0	0	115.1
322	A	31.2	Very low	40.4	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	78%	0.782	S	S	*	*			trans	-177.1	146.2	130.6	0	0	0	0	0	116.3
323	Y	31.4	Very low	40.6	Very low	219 Å²	219	140.2 Å²	140.2	86%	0.859	78%	0.782	S	S	*	*			trans	-43.7	162	168.3	-62.2	-107.6	0	0	0	116.1
324	G	28.2	Very low	39.3	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	79%	0.785	S	S	*	*			cis	116.8	159.9	16.5	0	0	0	0	0	111.8
325	P	46.1	Very low	38.3	Very low	130 Å²	130	143.7 Å²	143.7	84%	0.844	80%	0.795	S	S	*	*			cis	-136.1	-127.9	-1.8	48.8	-27.1	0	0	0	112.3
326	P	52.4	Low	38.2	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	79%	0.792	S	S	*	*			trans	-132.4	171.8	-153.3	43.6	-23.3	0	0	0	120.2
327	R	29.4	Very low	38.2	Very low	260 Å²	260	146.4 Å²	146.4	98%	0.981	80%	0.8	S	S	*	*			trans	-168.5	174.5	147.6	-110.7	166.7	-175	166.1	2.3	114.9
328	A	35	Very low	37.9	Very low	89 Å²	89	143.9 Å²	143.9	74%	0.736	80%	0.795	S	S	*	*			trans	-130.5	166.8	-163.3	0	0	0	0	0	114.9
329	L	31.6	Very low	37	Very low	171 Å²	171	143.8 Å²	143.8	90%	0.895	80%	0.797	S	S	*	*			trans	161.2	165.9	144.4	-86	161.1	0	0	0	112.5
330	E	28.1	Very low	35.8	Very low	176 Å²	176	146.2 Å²	146.2	82%	0.822	80%	0.804	S	S	*	*			trans	-97.3	-163.4	-170.7	-44.5	170.9	90.2	0	0	113.7
331	P	45.6	Very low	35.1	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	80%	0.802	S	S	*	*				-119.2	-141.1	-52	35.3	-16.3	0	0	0	108.5
332	P	46.5	Very low	35.5	Very low	101 Å²	101	143.4 Å²	143.4	66%	0.656	80%	0.798	S	S	*	*			cis	-124.1	-172.5	-29.7	42.3	-27.6	0	0	0	113.1
333	Y	31.7	Very low	35.9	Very low	222 Å²	222	145.1 Å²	145.1	87%	0.871	80%	0.801	S	S	*	*				-175.5	149.6	126.1	-107.6	-71.7	0	0	0	112.7
334	L	35.3	Very low	36	Very low	154 Å²	154	140.6 Å²	140.6	81%	0.806	80%	0.802	S	S	*	*			trans	-106.2	142.5	176.5	-68.9	167.7	0	0	0	111.5
335	P	36.7	Very low	36	Very low	126 Å²	126	141.5 Å²	141.5	82%	0.818	81%	0.811	S	S	*	*			trans	-76.3	139.4	163.4	30.9	-31.4	0	0	0	111.5
336	V	32.9	Very low	35.2	Very low	130 Å²	130	139 Å²	139	79%	0.788	81%	0.809	S	S	*	*			trans	-67.4	143.2	-166.6	170.5	0	0	0	0	114.5	S338	V336-S338 PolarHBondContact O-N 2.91Å
337	R	31.2	Very low	34.4	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	81%	0.814	S	S	*	*			trans	-77.5	102.9	163.7	174.4	-172.1	-179.3	175.6	1.2	110.2
338	S	29.5	Very low	34.6	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	81%	0.812	S	S	*	*			trans	-75.2	141	166	-65.1	0	0	0	0	110.8	V336	V336-S338 PolarHBondContact O-N 2.91Å
339	S	31.2	Very low	34.6	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	82%	0.819	S	S	*	*			trans	-127.3	97.6	-174.7	57.9	0	0	0	0	111.6
340	D	32.7	Very low	34.6	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	81%	0.811	S	S	*	*			trans	-103.7	108.5	170.3	-72.8	-57.2	0	0	0	110.2
341	T	37.3	Very low	35.2	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.1	136.4	170.9	42	0	0	0	0	110.7
342	P	41.2	Very low	34.6	Very low	112 Å²	112	141 Å²	141	73%	0.727	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.5	148.3	178.3	30.5	-35.5	0	0	0	111.7
343	P	40.1	Very low	34.5	Very low	133 Å²	133	145.8 Å²	145.8	86%	0.864	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.3	141.6	172.6	29.9	-34.4	0	0	0	111
344	S	32.7	Very low	34.7	Very low	125 Å²	125	138.6 Å²	138.6	87%	0.874	83%	0.829	S	S	*	*			trans	-105.2	143	179.5	50.5	0	0	0	0	112
345	G	29.8	Very low	34.6	Very low	87 Å²	87	142.4 Å²	142.4	90%	0.897	83%	0.833	S	S	*	*			trans	155.4	132.7	169.7	0	0	0	0	0	114.2
346	G	29.2	Very low	34.7	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	84%	0.837	S	S	*	*			trans	122	59.6	165.6	0	0	0	0	0	116.7	R348	G346-R348 PolarHBondContact O-N 2.75Å
347	E	34.7	Very low	34.8	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	84%	0.836	S	S	*	*			trans	-62.3	125.9	160.9	-69.3	-179.6	98	0	0	110.7
348	R	33.3	Very low	35.2	Very low	244 Å²	244	140 Å²	140	92%	0.921	84%	0.839	S	S	*	*			trans	-140.9	111.2	155.4	-76.8	-161.5	171.6	-165.2	-2.5	110.8	G346 G350	G346-R348 PolarHBondContact O-N 2.75Å; R348-G350 PolarHBondContact O-N 2.81Å
349	N	35.2	Very low	35.6	Very low	166 Å²	166	137.8 Å²	137.8	89%	0.888	83%	0.832	S	S	*	*			trans	-61.7	126	167.8	-79.6	-60	0	0	0	110.1
350	G	30.8	Very low	36	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	83%	0.83	S	S	*	*			trans	-148.5	83.6	179.6	0	0	0	0	0	110.3	R348 Q352	R348-G350 PolarHBondContact O-N 2.81Å; G350-Q352 PolarHBondContact O-N 2.93Å
351	A	41.3	Very low	36.4	Very low	106 Å²	106	135.5 Å²	135.5	88%	0.876	82%	0.823	S	S	*	*			trans	-70.7	116.2	-176.5	0	0	0	0	0	111.7
352	Q	34.4	Very low	36.9	Very low	193 Å²	193	133.6 Å²	133.6	90%	0.902	80%	0.802	S	S	*	*			trans	-129.9	116.8	160.4	-84.2	-169.8	-16.8	0	0	110.5	G350 G354	G350-Q352 PolarHBondContact O-N 2.93Å; Q352-G354 VanDerWaalsContact C-N 3.32Å; Q352-G354 PolarHBondContact O-N 3.4Å
353	Q	43.9	Very low	37.1	Very low	202 Å²	202	138.4 Å²	138.4	94%	0.944	81%	0.806	S	S	*	*			trans	-73.2	86.7	171	-70.4	171.6	-41	0	0	109.2	R355	Q353-R355 PolarHBondContact O-N 2.81Å
354	G	34.9	Very low	37.4	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	79%	0.793	S	S	*	*			trans	-61.6	127.8	169.3	0	0	0	0	0	110.4	Q352	Q352-G354 VanDerWaalsContact C-N 3.32Å; Q352-G354 PolarHBondContact O-N 3.4Å
355	R	34.1	Very low	37.8	Very low	234 Å²	234	134.9 Å²	134.9	88%	0.883	78%	0.775	S	S	*	*			trans	-63.6	142.5	-176.9	-67.2	177.3	175.3	-179.6	-2.4	111.5	Q353 S357	Q353-R355 PolarHBondContact O-N 2.81Å; R355-S357 PolarHBondContact O-N 2.83Å
356	L	39.3	Very low	38.6	Very low	173 Å²	173	140.1 Å²	140.1	91%	0.906	78%	0.776	S	S	*	*			trans	-64.3	102.2	161	-68.7	169.7	0	0	0	109	V358	L356-V358 PolarHBondContact O-N 2.86Å
357	S	33.1	Very low	39.3	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	77%	0.768	S	S	*	*			trans	-77.4	108.8	172.4	-72.4	0	0	0	0	110.1	R355 G359	R355-S357 PolarHBondContact O-N 2.83Å; S357-G359 PolarHBondContact O-N 3.22Å; S357-G359 VanDerWaalsContact O-N 3.16Å
358	V	40.5	Very low	40.2	Very low	155 Å²	155	136.5 Å²	136.5	94%	0.939	76%	0.76	S	S	*	*	S	Bend	trans	-70.9	106.2	168.9	-177.9	0	0	0	0	108	L356	L356-V358 PolarHBondContact O-N 2.86Å
359	G	37.5	Very low	41.8	Very low	57 Å²	57	135.2 Å²	135.2	59%	0.588	76%	0.755	S	S	*	*			trans	140.8	69.4	-176	0	0	0	0	0	112.4	S357 V361	S357-G359 PolarHBondContact O-N 3.22Å; S357-G359 VanDerWaalsContact O-N 3.16Å; G359-V361 PolarHBondContact O-N 3.41Å
360	S	39.2	Very low	44.2	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	72%	0.723	S	S	*	*			trans	-75.1	77.4	173.9	-170.9	0	0	0	0	110.5	Y362	S360-Y362 PolarHBondContact O-N 2.63Å
361	V	41.8	Very low	47.2	Very low	119 Å²	119	128.2 Å²	128.2	72%	0.721	71%	0.706	S	S	*	*			trans	-67.2	100.8	162.2	179.2	0	0	0	0	106.6	G359 R363	G359-V361 PolarHBondContact O-N 3.41Å; V361-R363 PolarHBondContact O-N 3.5Å
362	Y	48.7	Very low	49.9	Very low	90 Å²	90	123.5 Å²	123.5	35%	0.353	67%	0.666	S	S	.	*			trans	-57.6	103.8	176.1	175.2	-106.1	0	0	0	109.3	S360 T433	S360-Y362 PolarHBondContact O-N 2.63Å; Y362-T433 PolarHBondContact OH-O 3.24Å
363	R	45.3	Very low	52.9	Low	213 Å²	213	115 Å²	115	80%	0.804	63%	0.627	S	S	*	*			trans	-75.9	123.7	164.2	-80.4	-177.2	168.1	176.7	-4.2	106.9	V361 N365	V361-R363 PolarHBondContact O-N 3.5Å; R363-N365 PolarHBondContact O-N 3.11Å; R363-N365 VanDerWaalsContact O-N 3.12Å
364	P	45.9	Very low	55.3	Low	91 Å²	91	105.4 Å²	105.4	59%	0.591	58%	0.582	S	S	*	*			trans	-56.1	124.1	165.6	25.4	-32.9	0	0	0	107.6	Q366	P364-Q366 PolarHBondContact O-N 2.79Å; P364-Q366 VanDerWaalsContact O-N 3.11Å
365	N	41.4	Very low	58.3	Low	93 Å²	93	103 Å²	103	50%	0.497	55%	0.553	S	S	.	*			trans	-63.5	115.7	-176.8	-177.4	-8.3	0	0	0	108.5	R363 N367 G368	R363-N365 PolarHBondContact O-N 3.11Å; R363-N365 VanDerWaalsContact O-N 3.12Å; N365-N367 PolarHBondContact O-N 2.93Å; N365-N367 PolarHBondContact OD1-N 2.91Å; N365-G368 PolarHBondContact O-N 2.55Å
366	Q	45.8	Very low	61.3	Low	197 Å²	197	92 Å²	92	92%	0.921	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-9.6	-173.5	-70.7	-176.6	-34.2	0	0	114.1	P364	P364-Q366 PolarHBondContact O-N 2.79Å; P364-Q366 VanDerWaalsContact O-N 3.11Å
367	N	44.6	Very low	64.1	Low	122 Å²	122	85 Å²	85	65%	0.652	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.8	175.1	-64.2	-26.9	0	0	0	114.7	N365 R369	N365-N367 PolarHBondContact O-N 2.93Å; N365-N367 PolarHBondContact OD1-N 2.91Å; N367-R369 HydrophobicContact CB-CG 4.43Å; N367-R369 WeakPolarHBondContact O-CG 3.4Å; N367-R369 PolarHBondContact O-N 3.29Å
368	G	53.3	Low	67.1	Low	68 Å²	68	80.5 Å²	80.5	70%	0.701	44%	0.443	S	S	*	.			trans	62.9	29.9	171.1	0	0	0	0	0	116.5	N365	N365-G368 PolarHBondContact O-N 2.55Å
369	R	66.6	Low	69.8	Low	217 Å²	217	78.4 Å²	78.4	82%	0.819	43%	0.427	S	S	*	.			trans	-97.4	17.8	-170.3	-70.2	-172	178	-177.4	-2.4	116.4	N367	N367-R369 HydrophobicContact CB-CG 4.43Å; N367-R369 WeakPolarHBondContact O-CG 3.4Å; N367-R369 PolarHBondContact O-N 3.29Å
370	G	85.2	Confident	72.6	Confident	20 Å²	20	79.2 Å²	79.2	21%	0.206	41%	0.413	C	S	.	.			trans	-109.2	154.6	174.2	0	0	0	0	0	111.3	T433 A434	G370-T433 VanDerWaalsContact CA-OG1 3.22Å; G370-T433 WeakPolarHBondContact CA-OG1 3.15Å; G370-A434 VanDerWaalsContact O-CB 3.3Å; G370-A434 WeakPolarHBondContact O-CB 3.22Å
371	L	95.3	Very high	75.3	Confident	70 Å²	70	75 Å²	75	37%	0.366	38%	0.383	S	S	.	.			trans	-124.3	154.5	166.1	-67.1	175.7	0	0	0	109.1	T433 A434 L546 E547	L371-T433 PolarHBondContact N-OG1 3.36Å; L371-T433 PolarHBondContact O-N 3.46Å; L371-T433 PolarHBondContact O-OG1 3.37Å; L371-A434 PolarHBondContact O-N 3.4Å; L371-A434 VanDerWaalsContact O-N 3.16Å; L371-L546 HydrophobicContact CD2-CB 4.05Å; L371-E547 WeakPolarHBondContact CD1-O 3.38Å
372	P	96.3	Very high	78	Confident	6 Å²	6	73 Å²	73	4%	0.039	37%	0.366	C	S	.	.			trans	-67.2	170.6	164.9	31.5	-36.9	0	0	0	111.8	N430 A434 F436 V545 L546 E547 S548	P372-N430 WeakPolarHBondContact CA-OD1 3.1Å; P372-A434 WeakPolarHBondContact CA-O 3.36Å; P372-F436 HydrophobicContact CB-CB 3.72Å; P372-F436 HydrophobicContact CB-CD2 4.02Å; P372-F436 HydrophobicContact CB-CG 4.38Å; P372-F436 HydrophobicContact CG-CB 4.17Å; P372-F436 HydrophobicContact CG-CD2 3.88Å; P372-F436 HydrophobicContact CG-CG 4.49Å; P372-V545 HydrophobicContact CG-CG1 4.37Å; P372-L546 VanDerWaalsContact CD-O 3.31Å; P372-L546 WeakPolarHBondContact CD-O 3.22Å; P372-L546 VanDerWaalsContact CG-O 3.25Å; P372-L546 WeakPolarHBondContact CG-O 3.11Å; P372-E547 HydrophobicContact CG-CG 4.34Å; P372-E547 CarbonylContact O-C 3.44Å; P372-E547 WeakPolarHBondContact O-CA 3.43Å; P372-E547 WeakPolarHBondContact O-CB 3.31Å; P372-S548 PolarHBondContact O-N 3.16Å; P372-S548 PolarHBondContact O-OG 3.17Å
373	D	97.2	Very high	80.1	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.08	38%	0.383	C	S	.	.			trans	-157	108.8	176.8	170.7	-15.4	0	0	0	107.8	N430 Q431 E547 N552	D373-N430 PolarHBondContact N-OD1 3.41Å; D373-N430 VanDerWaalsContact N-OD1 3.11Å; D373-N430 CarbonylContact O-C 3.37Å; D373-N430 VanDerWaalsContact O-CA 3.29Å; D373-N430 WeakPolarHBondContact O-CA 3.41Å; D373-Q431 HydrophobicContact CB-CG 3.87Å; D373-Q431 VanDerWaalsContact CG-NE2 3.31Å; D373-Q431 PolarHBondContact O-N 2.7Å; D373-Q431 WeakPolarHBondContact OD1-CG 3.26Å; D373-Q431 PolarHBondContact OD1-NE2 3.21Å; D373-Q431 WeakPolarHBondContact OD2-CG 3.27Å; D373-Q431 PolarHBondContact OD2-NE2 2.86Å; D373-E547 WeakPolarHBondContact CA-OE2 3.46Å; D373-N552 PolarHBondContact OD1-ND2 3.08Å
374	L	96.1	Very high	82.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	97.1	-167.9	-68.2	-165.9	0	0	0	113.1	P376 V428 K429 N430 F436 F460 L506 V539 E547	L374-P376 WeakPolarHBondContact O-CD 3.27Å; L374-V428 HydrophobicContact CB-CG1 3.75Å; L374-V428 HydrophobicContact CD1-CG1 4.31Å; L374-V428 HydrophobicContact CD2-CG1 4Å; L374-V428 HydrophobicContact CG-CG1 4.24Å; L374-K429 CarbonylContact C-O 3.56Å; L374-K429 WeakPolarHBondContact CA-O 3.34Å; L374-N430 HydrophobicContact CD2-CB 3.96Å; L374-F436 HydrophobicContact CD1-CD1 4.29Å; L374-F436 HydrophobicContact CD1-CD2 3.49Å; L374-F436 VanDerWaalsContact CD1-CD2 3.49Å; L374-F436 HydrophobicContact CD1-CE1 4.15Å; L374-F436 HydrophobicContact CD1-CE2 3.3Å; L374-F436 HydrophobicContact CD1-CG 3.99Å; L374-F436 HydrophobicContact CD1-CZ 3.67Å; L374-F436 HydrophobicContact CD2-CB 4.17Å; L374-F436 HydrophobicContact CD2-CD2 4.01Å; L374-F436 HydrophobicContact CD2-CG 4.1Å; L374-F436 HydrophobicContact CG-CD2 3.72Å; L374-F436 HydrophobicContact CG-CE2 3.97Å; L374-F436 HydrophobicContact CG-CG 4.28Å; L374-F460 HydrophobicContact CD1-CE2 3.63Å; L374-F460 HydrophobicContact CD1-CZ 3.98Å; L374-L506 HydrophobicContact CD2-CD2 3.95Å; L374-V539 HydrophobicContact CB-CG1 4Å; L374-V539 HydrophobicContact CD1-CG1 3.63Å; L374-V539 HydrophobicContact CG-CG1 4.5Å; L374-E547 WeakPolarHBondContact CA-OE2 3.18Å; L374-E547 WeakPolarHBondContact CB-OE2 3.15Å; L374-E547 VanDerWaalsContact CG-OE2 3.27Å; L374-E547 WeakPolarHBondContact CG-OE2 3.31Å; L374-E547 PolarHBondContact N-OE2 3.04Å
375	V	97.7	Very high	84.8	Confident	23 Å²	23	62.1 Å²	62.1	14%	0.139	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.5	176.7	178.4	0	0	0	0	111.6	K429 Q431 N552 I573	V375-K429 PolarHBondContact N-O 2.82Å; V375-K429 PolarHBondContact O-N 3.01Å; V375-Q431 VanDerWaalsContact CG2-CD 3.4Å; V375-Q431 HydrophobicContact CG2-CG 3.89Å; V375-N552 HydrophobicContact CG2-CB 4.26Å; V375-N552 VanDerWaalsContact CG2-ND2 3.28Å; V375-N552 WeakPolarHBondContact CG2-ND2 3.3Å; V375-I573 HydrophobicContact CG1-CD1 3.58Å
376	P	96.8	Very high	87.4	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.013	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.8	164	24.7	-33.6	0	0	0	112.4	L374 P378 R427 V539 V555	L374-P376 WeakPolarHBondContact O-CD 3.27Å; P376-P378 VanDerWaalsContact O-CD 3.28Å; P376-P378 WeakPolarHBondContact O-CD 3.36Å; P376-R427 CarbonylContact C-O 3.52Å; P376-R427 WeakPolarHBondContact CA-O 3.49Å; P376-V539 HydrophobicContact CB-CG2 3.91Å; P376-V539 HydrophobicContact CG-CG2 3.88Å; P376-V555 HydrophobicContact CB-CG2 3.94Å; P376-V555 HydrophobicContact CG-CG2 3.89Å
377	D	96.8	Very high	89.9	Confident	26 Å²	26	53.8 Å²	53.8	14%	0.139	30%	0.299	C	S	.	.			trans	-84.6	109.6	178.4	178.7	3.6	0	0	0	111.8	N379 Y380 R427	D377-N379 VanDerWaalsContact C-N 3.25Å; D377-N379 PolarHBondContact O-N 2.99Å; D377-N379 WeakPolarHBondContact OD1-CB 3.4Å; D377-N379 PolarHBondContact OD1-N 2.98Å; D377-N379 PolarHBondContact OD1-ND2 3.47Å; D377-Y380 PolarHBondContact O-N 2.86Å; D377-R427 HydrophobicContact CB-CB 4.35Å; D377-R427 PolarHBondContact N-O 2.89Å; D377-R427 IonicContact OD2-CZ 3.4Å; D377-R427 IonicContact OD2-NE 3.51Å; D377-R427 PolarHBondContact OD2-NE 3.41Å; D377-R427 IonicContact OD2-NH2 2.68Å; D377-R427 PolarHBondContact OD2-NH2 3.32Å
378	P	97.4	Very high	92.4	Very high	15 Å²	15	51.3 Å²	51.3	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-25.4	-179.3	26.8	-34.3	0	0	0	113.3	P376 Q382 V555 C571 I573	P376-P378 VanDerWaalsContact O-CD 3.28Å; P376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-Q382 PolarHBondContact O-N 3.22Å; P378-Q382 VanDerWaalsContact O-N 3.12Å; P378-V555 HydrophobicContact CB-CG1 3.98Å; P378-V555 HydrophobicContact CB-CG2 3.92Å; P378-C571 HydrophobicContact CB-CB 3.87Å; P378-C571 WeakPolarHBondContact O-CB 3.35Å; P378-I573 HydrophobicContact CG-CG1 4.32Å
379	N	97.1	Very high	94.5	Very high	110 Å²	110	54.6 Å²	54.6	59%	0.588	28%	0.275	S	S	*	.	H	α-helix	trans	-71.8	-36.1	-178.9	-51.7	-83.8	0	0	0	110.7	D377 Q382 A383	D377-N379 VanDerWaalsContact C-N 3.25Å; D377-N379 PolarHBondContact O-N 2.99Å; D377-N379 WeakPolarHBondContact OD1-CB 3.4Å; D377-N379 PolarHBondContact OD1-N 2.98Å; D377-N379 PolarHBondContact OD1-ND2 3.47Å; N379-Q382 PolarHBondContact O-N 2.92Å; N379-A383 VanDerWaalsContact O-CB 3.28Å; N379-A383 WeakPolarHBondContact O-CB 3.38Å; N379-A383 PolarHBondContact O-N 2.79Å
380	Y	95.5	Very high	96	Very high	75 Å²	75	44.7 Å²	44.7	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-50.5	176.4	-126.6	-107.4	0	0	0	110.5	D377 Q382 A383 P425 R427 T513	D377-Y380 PolarHBondContact O-N 2.86Å; Y380-Q382 VanDerWaalsContact C-N 3.31Å; Y380-Q382 PolarHBondContact O-N 2.96Å; Y380-A383 PolarHBondContact O-N 2.87Å; Y380-P425 HydrophobicContact CD1-CB 3.89Å; Y380-P425 HydrophobicContact CD1-CG 3.92Å; Y380-P425 HydrophobicContact CE1-CB 4.3Å; Y380-P425 WeakPolarHBondContact O-CG 3.48Å; Y380-R427 HydrophobicContact CD1-CB 3.74Å; Y380-R427 HydrophobicContact CD2-CB 4.31Å; Y380-R427 HydrophobicContact CE1-CB 4.23Å; Y380-R427 HydrophobicContact CG-CB 3.8Å; Y380-T513 HydrophobicContact CD1-CG2 4.47Å; Y380-T513 HydrophobicContact CE1-CG2 3.62Å
381	V	97.1	Very high	96.5	Very high	3 Å²	3	47 Å²	47	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-55.2	-47	175.3	-176	0	0	0	0	110.8	A383 T385 F424 L535 V555	V381-A383 PolarHBondContact O-N 3.42Å; V381-T385 PolarHBondContact O-N 3.23Å; V381-T385 PolarHBondContact O-OG1 2.96Å; V381-F424 HydrophobicContact CG1-CB 4.18Å; V381-F424 HydrophobicContact CG1-CD2 4.27Å; V381-F424 HydrophobicContact CG1-CG 4.4Å; V381-L535 HydrophobicContact CG1-CD2 3.85Å; V381-V555 HydrophobicContact CG2-CG1 4.46Å
382	Q	97.3	Very high	96.6	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-35.1	-178.4	-155.4	174.4	-101	0	0	113.7	P378 N379 Y380 S384 T568 C571	P378-Q382 PolarHBondContact O-N 3.22Å; P378-Q382 VanDerWaalsContact O-N 3.12Å; N379-Q382 PolarHBondContact O-N 2.92Å; Y380-Q382 VanDerWaalsContact C-N 3.31Å; Y380-Q382 PolarHBondContact O-N 2.96Å; Q382-S384 PolarHBondContact O-N 2.84Å; Q382-T568 HydrophobicContact CG-CG2 4.21Å; Q382-T568 WeakPolarHBondContact CG-O 3.31Å; Q382-C571 HydrophobicContact CB-CB 3.91Å; Q382-C571 VanDerWaalsContact CB-SG 3.51Å; Q382-C571 HydrophobicContact CG-CB 4.26Å
383	A	93.7	Very high	96.5	Very high	87 Å²	87	50 Å²	50	72%	0.719	25%	0.252	S	S	*	.	H	α-helix	trans	-69.6	-30.5	-169.3	0	0	0	0	0	114.1	N379 Y380 V381	N379-A383 VanDerWaalsContact O-CB 3.28Å; N379-A383 WeakPolarHBondContact O-CB 3.38Å; N379-A383 PolarHBondContact O-N 2.79Å; Y380-A383 PolarHBondContact O-N 2.87Å; V381-A383 PolarHBondContact O-N 3.42Å
384	S	91.8	Very high	96.4	Very high	58 Å²	58	52.4 Å²	52.4	41%	0.406	27%	0.27	S	S	.	.	S	Bend	trans	-147.5	43.4	-177.8	54.8	0	0	0	0	114	Q382 Y386 P425	Q382-S384 PolarHBondContact O-N 2.84Å; S384-Y386 WeakPolarHBondContact O-CD1 3.29Å; S384-P425 WeakPolarHBondContact OG-CG 3.43Å
385	T	97.2	Very high	96.3	Very high	20 Å²	20	52.6 Å²	52.6	12%	0.123	27%	0.271	C	S	.	.			trans	-68.7	133.1	158.2	-55.3	0	0	0	0	110	V381 L422 R423 F424 V566 T568	V381-T385 PolarHBondContact O-N 3.23Å; V381-T385 PolarHBondContact O-OG1 2.96Å; T385-L422 HydrophobicContact CG2-CD1 3.57Å; T385-L422 HydrophobicContact CG2-CG 4.41Å; T385-R423 CarbonylContact C-O 3.59Å; T385-R423 VanDerWaalsContact CA-O 3.24Å; T385-R423 WeakPolarHBondContact CA-O 3.28Å; T385-R423 WeakPolarHBondContact CG2-O 3.3Å; T385-F424 HydrophobicContact CG2-CB 4.25Å; T385-V566 HydrophobicContact CG2-CG1 4.01Å; T385-T568 WeakPolarHBondContact CB-OG1 3.38Å; T385-T568 WeakPolarHBondContact CG2-OG1 3.43Å; T385-T568 PolarHBondContact OG1-OG1 2.03Å; T385-T568 VanDerWaalsContact OG1-OG1 3.11Å
386	Y	97.3	Very high	96	Very high	87 Å²	87	57.9 Å²	57.9	34%	0.341	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	170.8	172.9	64.1	-87.4	0	0	0	112.7	S384 Q388 R423 A516	S384-Y386 WeakPolarHBondContact O-CD1 3.29Å; Y386-Q388 HydrophobicContact CE2-CB 4.22Å; Y386-R423 HydrophobicContact CD1-CB 4.41Å; Y386-R423 HydrophobicContact CD2-CB 4.42Å; Y386-R423 HydrophobicContact CE1-CB 4.1Å; Y386-R423 HydrophobicContact CE2-CB 4.1Å; Y386-R423 PolarHBondContact N-O 2.69Å; Y386-R423 PolarHBondContact O-N 2.95Å; Y386-R423 WeakPolarHBondContact OH-CD 3.34Å; Y386-A516 HydrophobicContact CD1-CB 4.48Å; Y386-A516 HydrophobicContact CE1-CB 3.66Å
387	V	97.8	Very high	95.6	Very high	28 Å²	28	59.5 Å²	59.5	17%	0.17	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.3	172.6	176.1	0	0	0	0	109.4	V420 L421 I525 Y561 V566	V387-V420 HydrophobicContact CG1-CG1 3.49Å; V387-V420 VanDerWaalsContact CG1-CG1 3.49Å; V387-L421 CarbonylContact C-O 3.54Å; V387-L421 WeakPolarHBondContact CA-O 3.46Å; V387-I525 HydrophobicContact CG2-CD1 4.25Å; V387-Y561 HydrophobicContact CG2-CD2 4.15Å; V387-Y561 HydrophobicContact CG2-CE2 4.02Å; V387-V566 HydrophobicContact CG2-CB 3.85Å; V387-V566 HydrophobicContact CG2-CG1 3.82Å
388	Q	97.3	Very high	95.4	Very high	70 Å²	70	58.2 Å²	58.2	33%	0.327	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.2	167	-167	-178.4	12.9	0	0	110.2	Y386 V420 L421	Y386-Q388 HydrophobicContact CE2-CB 4.22Å; Q388-V420 WeakPolarHBondContact O-CA 3.36Å; Q388-L421 PolarHBondContact N-O 2.92Å; Q388-L421 PolarHBondContact O-N 2.65Å
389	R	97.3	Very high	95.1	Very high	138 Å²	138	58.7 Å²	58.7	52%	0.521	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130	160.9	-71.9	179.2	177.6	-91.1	-4.6	108.6	V418 R419 V420 G563	R389-V418 HydrophobicContact CB-CG1 3.81Å; R389-V418 HydrophobicContact CG-CG1 4.22Å; R389-R419 WeakPolarHBondContact CA-O 3.33Å; R389-V420 HydrophobicContact CG-CG1 4.46Å; R389-V420 HydrophobicContact CG-CG2 4.34Å; R389-G563 PolarHBondContact NH2-O 2.77Å
390	A	96.9	Very high	94.6	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.5	-176.6	0	0	0	0	0	110.4	L395 V418 R419 L421	A390-L395 HydrophobicContact CB-CD1 4.03Å; A390-L395 HydrophobicContact CB-CD2 4.07Å; A390-L395 HydrophobicContact CB-CG 4.17Å; A390-V418 CarbonylContact O-C 3.47Å; A390-V418 WeakPolarHBondContact O-CA 3.21Å; A390-R419 PolarHBondContact N-O 3.16Å; A390-R419 VanDerWaalsContact N-O 3.09Å; A390-R419 PolarHBondContact O-N 2.92Å; A390-L421 HydrophobicContact CB-CD1 4.41Å
391	H	97.4	Very high	94.1	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.319	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	148.3	179.2	-65.5	-85.4	0	0	0	111.2	Y393 S394 Y416 D417 V418	H391-Y393 HydrophobicContact CB-CD1 3.46Å; H391-Y393 VanDerWaalsContact CB-CD1 3.46Å; H391-Y393 HydrophobicContact CB-CE1 3.26Å; H391-Y393 HydrophobicContact CB-CG 4.26Å; H391-Y393 AromaticContact CD2-CE1 3.83Å; H391-Y393 AromaticContact CG-CE1 3.57Å; H391-Y393 PolarHBondContact O-N 3.33Å; H391-Y393 VanDerWaalsContact O-N 3.16Å; H391-S394 PolarHBondContact N-OG 3.11Å; H391-S394 PolarHBondContact O-N 2.9Å; H391-S394 PolarHBondContact O-OG 3.08Å; H391-Y416 PolarHBondContact ND1-O 2.81Å; H391-D417 CarbonylContact C-O 3.54Å; H391-D417 VanDerWaalsContact CA-O 3.31Å; H391-D417 WeakPolarHBondContact CA-O 3.36Å; H391-V418 VanDerWaalsContact CE1-CG2 3.45Å; H391-V418 WeakPolarHBondContact CE1-CG2 3.04Å
392	L	95.9	Very high	93.8	Very high	15 Å²	15	64.6 Å²	64.6	8%	0.079	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.9	-179.5	-78.5	-178.2	0	0	0	113.7	S394 L395 R396 L404 A408 A413 T414 D415 D417 R419	L392-S394 PolarHBondContact O-N 2.73Å; L392-S394 VanDerWaalsContact O-N 3.12Å; L392-L395 HydrophobicContact CD2-CD1 4.48Å; L392-L395 PolarHBondContact O-N 2.89Å; L392-R396 PolarHBondContact O-N 2.81Å; L392-L404 HydrophobicContact CD2-CD1 3.56Å; L392-A408 HydrophobicContact CD2-CB 4.06Å; L392-A413 HydrophobicContact CD1-CB 4.2Å; L392-T414 WeakPolarHBondContact CD1-O 3.43Å; L392-D415 PolarHBondContact N-O 3.12Å; L392-D417 HydrophobicContact CD1-CB 4.11Å; L392-D417 HydrophobicContact CG-CB 4.43Å; L392-D417 PolarHBondContact N-O 3.38Å; L392-R419 HydrophobicContact CD2-CG 3.5Å; L392-R419 HydrophobicContact CG-CG 4.01Å
393	Y	95	Very high	93.5	Very high	123 Å²	123	61.2 Å²	61.2	48%	0.482	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.1	-27.8	175	73.4	-107.8	0	0	0	113.7	H391 D415 Y416	H391-Y393 HydrophobicContact CB-CD1 3.46Å; H391-Y393 VanDerWaalsContact CB-CD1 3.46Å; H391-Y393 HydrophobicContact CB-CE1 3.26Å; H391-Y393 HydrophobicContact CB-CG 4.26Å; H391-Y393 AromaticContact CD2-CE1 3.83Å; H391-Y393 AromaticContact CG-CE1 3.57Å; H391-Y393 PolarHBondContact O-N 3.33Å; H391-Y393 VanDerWaalsContact O-N 3.16Å; Y393-D415 VanDerWaalsContact CA-OD1 3.23Å; Y393-D415 WeakPolarHBondContact CA-OD1 3.26Å; Y393-D415 WeakPolarHBondContact CB-OD1 3.42Å; Y393-D415 VanDerWaalsContact CD1-O 3.3Å; Y393-D415 WeakPolarHBondContact CD1-O 3.37Å; Y393-D415 PolarHBondContact N-O 3.17Å; Y393-Y416 HydrophobicContact CD1-CD1 4.48Å
394	S	95.1	Very high	93.6	Very high	66 Å²	66	57.7 Å²	57.7	46%	0.462	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-89.8	-6.4	177.3	63.6	0	0	0	0	113.8	H391 L392	H391-S394 PolarHBondContact N-OG 3.11Å; H391-S394 PolarHBondContact O-N 2.9Å; H391-S394 PolarHBondContact O-OG 3.08Å; L392-S394 PolarHBondContact O-N 2.73Å; L392-S394 VanDerWaalsContact O-N 3.12Å
395	L	94.4	Very high	93.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	3.4	-174.3	-60.6	172.3	0	0	0	113	A390 L392 C397 A398 A399 L404 R419 L421 W522	A390-L395 HydrophobicContact CB-CD1 4.03Å; A390-L395 HydrophobicContact CB-CD2 4.07Å; A390-L395 HydrophobicContact CB-CG 4.17Å; L392-L395 HydrophobicContact CD2-CD1 4.48Å; L392-L395 PolarHBondContact O-N 2.89Å; L395-C397 VanDerWaalsContact C-N 3.27Å; L395-C397 PolarHBondContact O-N 2.89Å; L395-C397 VanDerWaalsContact O-N 3.13Å; L395-A398 CarbonylContact O-C 3.47Å; L395-A398 PolarHBondContact O-N 2.71Å; L395-A399 PolarHBondContact O-N 3.11Å; L395-L404 HydrophobicContact CB-CD1 4.29Å; L395-L404 HydrophobicContact CD1-CD2 4.18Å; L395-R419 HydrophobicContact CD1-CB 3.84Å; L395-R419 HydrophobicContact CD1-CG 3.76Å; L395-L421 HydrophobicContact CD1-CD1 4.23Å; L395-L421 HydrophobicContact CD2-CD1 3.81Å; L395-W522 HydrophobicContact CD2-CH2 4Å; L395-W522 HydrophobicContact CD2-CZ2 4.28Å
396	R	91.4	Very high	93.6	Very high	135 Å²	135	59.8 Å²	59.8	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-49.3	-42.1	-174.2	-67.8	177.7	175.1	-177.1	-3.2	113.9	L392 A399 E400 D415	L392-R396 PolarHBondContact O-N 2.81Å; R396-A399 WeakPolarHBondContact O-CA 3.24Å; R396-A399 VanDerWaalsContact O-CB 3.31Å; R396-A399 WeakPolarHBondContact O-CB 3.48Å; R396-A399 PolarHBondContact O-N 2.95Å; R396-A399 VanDerWaalsContact O-N 3.12Å; R396-E400 WeakPolarHBondContact O-CG 3.32Å; R396-E400 PolarHBondContact O-N 2.93Å; R396-D415 IonicContact CZ-OD1 2.97Å; R396-D415 IonicContact CZ-OD2 3.83Å; R396-D415 IonicContact NE-OD1 3.99Å; R396-D415 PolarHBondContact NE-OD1 3.24Å; R396-D415 IonicContact NE-OD2 2.75Å; R396-D415 IonicContact NH2-OD1 3.05Å; R396-D415 PolarHBondContact NH2-OD1 2.96Å; R396-D415 VanDerWaalsContact NH2-OD1 3.09Å; R396-D415 IonicContact NH2-OD2 3.44Å; R396-D415 PolarHBondContact NH2-OD2 3.07Å
397	C	88.9	Confident	93.5	Very high	35 Å²	35	58.2 Å²	58.2	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-51.1	175	-65.3	0	0	0	0	113.2	L395 A399 E400 E401 C450	L395-C397 VanDerWaalsContact C-N 3.27Å; L395-C397 PolarHBondContact O-N 2.89Å; L395-C397 VanDerWaalsContact O-N 3.13Å; C397-A399 PolarHBondContact O-N 2.9Å; C397-E400 PolarHBondContact O-N 2.9Å; C397-E401 PolarHBondContact O-N 3.3Å; C397-C450 VanDerWaalsContact CA-SG 3.58Å; C397-C450 HydrophobicContact CB-CB 3.47Å; C397-C450 VanDerWaalsContact CB-CB 3.47Å; C397-C450 WeakPolarHBondContact CB-SG 3.41Å; C397-C450 WeakPolarHBondContact SG-CB 3.44Å; C397-C450 CovalentContact SG-SG 2.03Å; C397-C450 PolarHBondContact SG-SG 2.76Å
398	A	91.3	Very high	93.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-22.6	175.2	0	0	0	0	0	112.4	L395 K402 C403 D519 W522	L395-A398 CarbonylContact O-C 3.47Å; L395-A398 PolarHBondContact O-N 2.71Å; A398-K402 PolarHBondContact O-N 3.17Å; A398-C403 HydrophobicContact CB-CB 4.23Å; A398-C403 WeakPolarHBondContact O-CB 3.04Å; A398-C403 PolarHBondContact O-N 2.9Å; A398-D519 HydrophobicContact CB-CB 4.22Å; A398-W522 HydrophobicContact CB-CH2 3.45Å; A398-W522 VanDerWaalsContact CB-CH2 3.45Å; A398-W522 HydrophobicContact CB-CZ2 3.38Å
399	A	90.7	Very high	93.3	Very high	24 Å²	24	58.9 Å²	58.9	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-43.1	172.6	0	0	0	0	0	111.1	L395 R396 C397 E401 K402 L404 Y409	L395-A399 PolarHBondContact O-N 3.11Å; R396-A399 WeakPolarHBondContact O-CA 3.24Å; R396-A399 VanDerWaalsContact O-CB 3.31Å; R396-A399 WeakPolarHBondContact O-CB 3.48Å; R396-A399 PolarHBondContact O-N 2.95Å; R396-A399 VanDerWaalsContact O-N 3.12Å; C397-A399 PolarHBondContact O-N 2.9Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.95Å; A399-K402 WeakPolarHBondContact O-CA 3.47Å; A399-K402 PolarHBondContact O-N 2.75Å; A399-L404 HydrophobicContact CB-CD1 3.87Å; A399-Y409 VanDerWaalsContact CA-OH 3.32Å; A399-Y409 WeakPolarHBondContact CA-OH 3.32Å; A399-Y409 HydrophobicContact CB-CE1 4.13Å; A399-Y409 VanDerWaalsContact O-CE1 3.26Å; A399-Y409 WeakPolarHBondContact O-CE1 3.49Å; A399-Y409 PolarHBondContact O-OH 3.47Å
400	E	87.1	Confident	93.2	Very high	135 Å²	135	53.4 Å²	53.4	63%	0.631	28%	0.275	S	S	*	.	H	α-helix	trans	-59.2	-40.4	172.9	-71.3	165.9	-157.6	0	0	111.6	R396 C397 K402	R396-E400 WeakPolarHBondContact O-CG 3.32Å; R396-E400 PolarHBondContact O-N 2.93Å; C397-E400 PolarHBondContact O-N 2.9Å; E400-K402 PolarHBondContact O-N 2.86Å
401	E	86.1	Confident	93	Very high	20 Å²	20	59.5 Å²	59.5	9%	0.093	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	1.4	172.3	-69.3	179.1	-113.1	0	0	115.1	C397 A399 C403 H448 H451 H455 H478 C520	C397-E401 PolarHBondContact O-N 3.3Å; A399-E401 VanDerWaalsContact C-N 3.33Å; A399-E401 PolarHBondContact O-N 2.95Å; E401-C403 VanDerWaalsContact C-N 3.3Å; E401-C403 WeakPolarHBondContact CB-SG 3.45Å; E401-C403 PolarHBondContact O-N 3.05Å; E401-H448 VanDerWaalsContact CD-CE1 3.49Å; E401-H448 WeakPolarHBondContact CG-CE1 3.41Å; E401-H448 IonicContact OE1-CE1 2.64Å; E401-H448 PolarHBondContact OE1-CE1 2.82Å; E401-H448 IonicContact OE1-ND1 3.56Å; E401-H448 PolarHBondContact OE1-ND1 3Å; E401-H448 IonicContact OE1-NE2 3.33Å; E401-H451 IonicContact OE1-CE1 2.91Å; E401-H451 PolarHBondContact OE1-CE1 3.32Å; E401-H451 IonicContact OE1-ND1 2.7Å; E401-H455 IonicContact OE2-CE1 3.48Å; E401-H455 PolarHBondContact OE2-CE1 2.76Å; E401-H455 VanDerWaalsContact OE2-CE1 3.32Å; E401-H478 PolarHBondContact O-NE2 2.95Å; E401-C520 PolarHBondContact OE2-SG 3.4Å
402	K	89.4	Confident	92.9	Very high	157 Å²	157	63.3 Å²	63.3	68%	0.683	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	18.9	-179.2	-57.5	177.6	-176.6	169.5	0	115.5	A398 A399 E400 L404 Y409 H478	A398-K402 PolarHBondContact O-N 3.17Å; A399-K402 WeakPolarHBondContact O-CA 3.47Å; A399-K402 PolarHBondContact O-N 2.75Å; E400-K402 PolarHBondContact O-N 2.86Å; K402-L404 PolarHBondContact O-N 2.72Å; K402-L404 VanDerWaalsContact O-N 3.11Å; K402-Y409 VanDerWaalsContact C-OH 3.24Å; K402-Y409 WeakPolarHBondContact CA-OH 3.44Å; K402-H478 PolarHBondContact O-CE1 3Å
403	C	91.9	Very high	92.8	Very high	6 Å²	6	64 Å²	64	4%	0.041	34%	0.34	C	S	.	.			trans	-82.3	23.3	-170.8	-54.1	0	0	0	0	115.2	A398 E401 C520 W522	A398-C403 HydrophobicContact CB-CB 4.23Å; A398-C403 WeakPolarHBondContact O-CB 3.04Å; A398-C403 PolarHBondContact O-N 2.9Å; E401-C403 VanDerWaalsContact C-N 3.3Å; E401-C403 WeakPolarHBondContact CB-SG 3.45Å; E401-C403 PolarHBondContact O-N 3.05Å; C403-C520 HydrophobicContact CB-CB 3.65Å; C403-C520 WeakPolarHBondContact CB-SG 3.3Å; C403-C520 WeakPolarHBondContact SG-CB 3.1Å; C403-C520 CovalentContact SG-SG 2.03Å; C403-C520 PolarHBondContact SG-SG 3.05Å; C403-W522 PolarHBondContact O-NE1 3.44Å
404	L	94.8	Very high	92.8	Very high	13 Å²	13	61.1 Å²	61.1	7%	0.068	34%	0.335	C	S	.	.	S	Bend	trans	-122.3	161.4	178.4	-58.4	174.6	0	0	0	109.9	L392 L395 A399 K402 A408 Y409 L421 W522	L392-L404 HydrophobicContact CD2-CD1 3.56Å; L395-L404 HydrophobicContact CB-CD1 4.29Å; L395-L404 HydrophobicContact CD1-CD2 4.18Å; A399-L404 HydrophobicContact CB-CD1 3.87Å; K402-L404 PolarHBondContact O-N 2.72Å; K402-L404 VanDerWaalsContact O-N 3.11Å; L404-A408 HydrophobicContact CB-CB 3.57Å; L404-A408 HydrophobicContact CD1-CB 3.86Å; L404-A408 HydrophobicContact CG-CB 4.36Å; L404-Y409 HydrophobicContact CB-CE2 3.92Å; L404-Y409 PolarHBondContact N-OH 2.86Å; L404-L421 HydrophobicContact CD2-CD2 4.06Å; L404-W522 HydrophobicContact CD2-CZ2 4.06Å
405	A	95	Very high	92.8	Very high	20 Å²	20	61 Å²	61	17%	0.165	33%	0.33	C	S	.	.			trans	-69.4	156	176.1	0	0	0	0	0	110.3	T407 A408 D524	A405-T407 PolarHBondContact O-N 3Å; A405-A408 VanDerWaalsContact O-CB 3.27Å; A405-A408 WeakPolarHBondContact O-CB 3.47Å; A405-A408 PolarHBondContact O-N 2.9Å; A405-D524 HydrophobicContact CB-CB 4.05Å; A405-D524 PolarHBondContact N-OD2 2.71Å
406	S	94.3	Very high	92.8	Very high	103 Å²	103	69.2 Å²	69.2	72%	0.72	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-55.2	-27.9	-170.5	54.1	0	0	0	0	114.7	A408 Y409	S406-A408 PolarHBondContact O-N 3.45Å; S406-Y409 PolarHBondContact O-N 3.47Å; S406-Y409 VanDerWaalsContact O-N 3.09Å
407	T	95	Very high	93.1	Very high	53 Å²	53	65.5 Å²	65.5	33%	0.325	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.7	174.9	57.7	0	0	0	0	113.9	A405 Y409 R419 D527	A405-T407 PolarHBondContact O-N 3Å; T407-Y409 PolarHBondContact O-N 3.09Å; T407-R419 PolarHBondContact OG1-NH1 2.91Å; T407-R419 PolarHBondContact OG1-NH2 2.84Å; T407-D527 WeakPolarHBondContact CG2-OD2 3.19Å; T407-D527 PolarHBondContact OG1-OD1 2.85Å; T407-D527 PolarHBondContact OG1-OD2 3.22Å
408	A	95.8	Very high	93.5	Very high	11 Å²	11	66.7 Å²	66.7	9%	0.091	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-72.5	-14.1	173.2	0	0	0	0	0	113.9	L392 L404 A405 S406	L392-A408 HydrophobicContact CD2-CB 4.06Å; L404-A408 HydrophobicContact CB-CB 3.57Å; L404-A408 HydrophobicContact CD1-CB 3.86Å; L404-A408 HydrophobicContact CG-CB 4.36Å; A405-A408 VanDerWaalsContact O-CB 3.27Å; A405-A408 WeakPolarHBondContact O-CB 3.47Å; A405-A408 PolarHBondContact O-N 2.9Å; S406-A408 PolarHBondContact O-N 3.45Å
409	Y	95.3	Very high	93.8	Very high	101 Å²	101	67.3 Å²	67.3	40%	0.396	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-113.5	8.8	-177.8	-54.6	-78.9	0	0	0	112.8	A399 K402 L404 S406 T407	A399-Y409 VanDerWaalsContact CA-OH 3.32Å; A399-Y409 WeakPolarHBondContact CA-OH 3.32Å; A399-Y409 HydrophobicContact CB-CE1 4.13Å; A399-Y409 VanDerWaalsContact O-CE1 3.26Å; A399-Y409 WeakPolarHBondContact O-CE1 3.49Å; A399-Y409 PolarHBondContact O-OH 3.47Å; K402-Y409 VanDerWaalsContact C-OH 3.24Å; K402-Y409 WeakPolarHBondContact CA-OH 3.44Å; L404-Y409 HydrophobicContact CB-CE2 3.92Å; L404-Y409 PolarHBondContact N-OH 2.86Å; S406-Y409 PolarHBondContact O-N 3.47Å; S406-Y409 VanDerWaalsContact O-N 3.09Å; T407-Y409 PolarHBondContact O-N 3.09Å
410	A	94.7	Very high	94.1	Very high	24 Å²	24	66.4 Å²	66.4	20%	0.198	35%	0.352	C	S	.	.	S	Bend	trans	-71.5	146.1	177.8	0	0	0	0	0	110.4	E412 A413	A410-E412 VanDerWaalsContact CB-CD 3.46Å; A410-E412 HydrophobicContact CB-CG 4.16Å; A410-E412 WeakPolarHBondContact CB-OE2 3.45Å; A410-E412 PolarHBondContact O-N 3.23Å; A410-E412 VanDerWaalsContact O-N 3.08Å; A410-A413 VanDerWaalsContact O-CB 3.27Å; A410-A413 WeakPolarHBondContact O-CB 3.31Å; A410-A413 PolarHBondContact O-N 2.81Å
411	P	94.5	Very high	94.6	Very high	136 Å²	136	60 Å²	60	88%	0.883	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22	-179	-26.2	35.7	0	0	0	115.2
412	E	93.9	Very high	95.2	Very high	148 Å²	148	59.1 Å²	59.1	69%	0.692	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.6	175	63.4	-91.8	-146.3	0	0	114.7	A410	A410-E412 VanDerWaalsContact CB-CD 3.46Å; A410-E412 HydrophobicContact CB-CG 4.16Å; A410-E412 WeakPolarHBondContact CB-OE2 3.45Å; A410-E412 PolarHBondContact O-N 3.23Å; A410-E412 VanDerWaalsContact O-N 3.08Å
413	A	94.8	Very high	95.6	Very high	30 Å²	30	52.2 Å²	52.2	25%	0.248	29%	0.288	C	S	.	.			trans	-72.5	134	-175.7	0	0	0	0	0	111.8	L392 A410 D417	L392-A413 HydrophobicContact CD1-CB 4.2Å; A410-A413 VanDerWaalsContact O-CB 3.27Å; A410-A413 WeakPolarHBondContact O-CB 3.31Å; A410-A413 PolarHBondContact O-N 2.81Å; A413-D417 WeakPolarHBondContact CA-OD2 3.5Å
414	T	94.9	Very high	95.8	Very high	62 Å²	62	52 Å²	52	38%	0.38	29%	0.286	S	S	.	.			trans	-112.6	152.2	-177.1	89.8	0	0	0	0	112.4	L392 Y416 D417	L392-T414 WeakPolarHBondContact CD1-O 3.43Å; T414-Y416 PolarHBondContact O-N 2.03Å; T414-Y416 PolarHBondContact OG1-N 3.44Å; T414-D417 WeakPolarHBondContact CB-OD1 3Å; T414-D417 VanDerWaalsContact N-CG 3.32Å; T414-D417 PolarHBondContact N-OD2 3.13Å; T414-D417 WeakPolarHBondContact O-CB 3.29Å; T414-D417 PolarHBondContact O-N 3.12Å; T414-D417 PolarHBondContact OG1-OD1 2.99Å
415	D	94.3	Very high	95.9	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.342	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-26.1	171.7	-99	-48.7	0	0	0	113.4	L392 Y393 R396	L392-D415 PolarHBondContact N-O 3.12Å; Y393-D415 VanDerWaalsContact CA-OD1 3.23Å; Y393-D415 WeakPolarHBondContact CA-OD1 3.26Å; Y393-D415 WeakPolarHBondContact CB-OD1 3.42Å; Y393-D415 VanDerWaalsContact CD1-O 3.3Å; Y393-D415 WeakPolarHBondContact CD1-O 3.37Å; Y393-D415 PolarHBondContact N-O 3.17Å; R396-D415 IonicContact CZ-OD1 2.97Å; R396-D415 IonicContact CZ-OD2 3.83Å; R396-D415 IonicContact NE-OD1 3.99Å; R396-D415 PolarHBondContact NE-OD1 3.24Å; R396-D415 IonicContact NE-OD2 2.75Å; R396-D415 IonicContact NH2-OD1 3.05Å; R396-D415 PolarHBondContact NH2-OD1 2.96Å; R396-D415 VanDerWaalsContact NH2-OD1 3.09Å; R396-D415 IonicContact NH2-OD2 3.44Å; R396-D415 PolarHBondContact NH2-OD2 3.07Å
416	Y	95.6	Very high	95.8	Very high	176 Å²	176	50.5 Å²	50.5	69%	0.69	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.2	-179.4	-64.5	-74.4	0	0	0	114.1	H391 Y393 T414	H391-Y416 PolarHBondContact ND1-O 2.81Å; Y393-Y416 HydrophobicContact CD1-CD1 4.48Å; T414-Y416 PolarHBondContact O-N 2.03Å; T414-Y416 PolarHBondContact OG1-N 3.44Å
417	D	96.5	Very high	95.9	Very high	58 Å²	58	48.6 Å²	48.6	31%	0.31	25%	0.253	S	S	.	.			trans	-68.4	138.2	-176.9	-62.1	-3.6	0	0	0	110.9	H391 L392 A413 T414	H391-D417 CarbonylContact C-O 3.54Å; H391-D417 VanDerWaalsContact CA-O 3.31Å; H391-D417 WeakPolarHBondContact CA-O 3.36Å; L392-D417 HydrophobicContact CD1-CB 4.11Å; L392-D417 HydrophobicContact CG-CB 4.43Å; L392-D417 PolarHBondContact N-O 3.38Å; A413-D417 WeakPolarHBondContact CA-OD2 3.5Å; T414-D417 WeakPolarHBondContact CB-OD1 3Å; T414-D417 VanDerWaalsContact N-CG 3.32Å; T414-D417 PolarHBondContact N-OD2 3.13Å; T414-D417 WeakPolarHBondContact O-CB 3.29Å; T414-D417 PolarHBondContact O-N 3.12Å; T414-D417 PolarHBondContact OG1-OD1 2.99Å
418	V	97.1	Very high	96	Very high	60 Å²	60	46.1 Å²	46.1	36%	0.364	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.5	-175.5	178.2	0	0	0	0	110.4	R389 A390 H391	R389-V418 HydrophobicContact CB-CG1 3.81Å; R389-V418 HydrophobicContact CG-CG1 4.22Å; A390-V418 CarbonylContact O-C 3.47Å; A390-V418 WeakPolarHBondContact O-CA 3.21Å; H391-V418 VanDerWaalsContact CE1-CG2 3.45Å; H391-V418 WeakPolarHBondContact CE1-CG2 3.04Å
419	R	97.7	Very high	96	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.045	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	150.7	168.4	-50.1	-52.6	-65.3	178.6	1.5	110.8	R389 A390 L392 L395 T407 L421 D524 T526 D527	R389-R419 WeakPolarHBondContact CA-O 3.33Å; A390-R419 PolarHBondContact N-O 3.16Å; A390-R419 VanDerWaalsContact N-O 3.09Å; A390-R419 PolarHBondContact O-N 2.92Å; L392-R419 HydrophobicContact CD2-CG 3.5Å; L392-R419 HydrophobicContact CG-CG 4.01Å; L395-R419 HydrophobicContact CD1-CB 3.84Å; L395-R419 HydrophobicContact CD1-CG 3.76Å; T407-R419 PolarHBondContact OG1-NH1 2.91Å; T407-R419 PolarHBondContact OG1-NH2 2.84Å; R419-L421 HydrophobicContact CB-CD2 4.02Å; R419-D524 IonicContact CZ-OD2 3.33Å; R419-D524 VanDerWaalsContact CZ-OD2 3.26Å; R419-D524 IonicContact NE-OD1 3.71Å; R419-D524 IonicContact NE-OD2 3.94Å; R419-D524 PolarHBondContact NE-OD2 3.45Å; R419-D524 IonicContact NH2-OD1 2.66Å; R419-D524 PolarHBondContact NH2-OD1 3.12Å; R419-D524 IonicContact NH2-OD2 2.77Å; R419-D524 PolarHBondContact NH2-OD2 3.31Å; R419-T526 VanDerWaalsContact CA-OG1 3.3Å; R419-T526 WeakPolarHBondContact CA-OG1 3.4Å; R419-T526 PolarHBondContact NE-OG1 3.04Å; R419-D527 IonicContact NH2-OD2 3.09Å
420	V	97.9	Very high	96.1	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.4	176.2	-167.7	0	0	0	0	108.4	V387 Q388 R389 I525 T526	V387-V420 HydrophobicContact CG1-CG1 3.49Å; V387-V420 VanDerWaalsContact CG1-CG1 3.49Å; Q388-V420 WeakPolarHBondContact O-CA 3.36Å; R389-V420 HydrophobicContact CG-CG1 4.46Å; R389-V420 HydrophobicContact CG-CG2 4.34Å; V420-I525 HydrophobicContact CB-CG1 4.21Å; V420-I525 HydrophobicContact CG1-CD1 4.15Å; V420-I525 HydrophobicContact CG1-CG1 3.93Å; V420-I525 VanDerWaalsContact O-CG1 3.24Å; V420-I525 WeakPolarHBondContact O-CG1 3.47Å; V420-I525 PolarHBondContact O-N 3.01Å; V420-T526 PolarHBondContact N-OG1 3.28Å; V420-T526 PolarHBondContact O-N 3.26Å
421	L	97.9	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	-169.6	-51.2	179.5	0	0	0	110.3	V387 Q388 A390 L395 L404 R419 R423 W522 D524	V387-L421 CarbonylContact C-O 3.54Å; V387-L421 WeakPolarHBondContact CA-O 3.46Å; Q388-L421 PolarHBondContact N-O 2.92Å; Q388-L421 PolarHBondContact O-N 2.65Å; A390-L421 HydrophobicContact CB-CD1 4.41Å; L395-L421 HydrophobicContact CD1-CD1 4.23Å; L395-L421 HydrophobicContact CD2-CD1 3.81Å; L404-L421 HydrophobicContact CD2-CD2 4.06Å; R419-L421 HydrophobicContact CB-CD2 4.02Å; L421-R423 HydrophobicContact CB-CG 4.43Å; L421-R423 PolarHBondContact O-N 2.8Å; L421-W522 HydrophobicContact CB-CB 4.27Å; L421-W522 HydrophobicContact CB-CD2 4.5Å; L421-W522 HydrophobicContact CB-CG 4.19Å; L421-W522 HydrophobicContact CD1-CD2 4.01Å; L421-W522 HydrophobicContact CD1-CE3 4.21Å; L421-W522 HydrophobicContact CD1-CH2 4.31Å; L421-W522 HydrophobicContact CD1-CZ2 4.15Å; L421-W522 HydrophobicContact CD1-CZ3 4.34Å; L421-W522 HydrophobicContact CD2-CD2 4.46Å; L421-W522 HydrophobicContact CD2-CG 4.34Å; L421-D524 HydrophobicContact CD2-CB 4.18Å
422	L	98.3	Very high	96.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	90.8	169.1	179	62	0	0	0	108.5	T385 F424 L465 W522 I523 I525 V566	T385-L422 HydrophobicContact CG2-CD1 3.57Å; T385-L422 HydrophobicContact CG2-CG 4.41Å; L422-F424 WeakPolarHBondContact O-CD1 3.3Å; L422-L465 HydrophobicContact CD2-CD1 4.03Å; L422-W522 CarbonylContact O-C 3.56Å; L422-W522 WeakPolarHBondContact O-CA 3.42Å; L422-W522 VanDerWaalsContact O-CB 3.3Å; L422-W522 WeakPolarHBondContact O-CB 3.33Å; L422-I523 PolarHBondContact N-O 2.74Å; L422-I523 PolarHBondContact O-N 2.71Å; L422-I525 HydrophobicContact CB-CD1 4.04Å; L422-I525 HydrophobicContact CB-CG1 4.15Å; L422-I525 HydrophobicContact CB-CG2 3.76Å; L422-I525 HydrophobicContact CD2-CG2 4.32Å; L422-V566 HydrophobicContact CD1-CB 4.26Å; L422-V566 HydrophobicContact CD1-CG1 4.05Å; L422-V566 HydrophobicContact CD1-CG2 3.93Å
423	R	97.5	Very high	96.3	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.045	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.1	179.7	-79.1	175.9	172.4	-81.1	12.6	111	T385 Y386 L421 A516 D517 I518 W522	T385-R423 CarbonylContact C-O 3.59Å; T385-R423 VanDerWaalsContact CA-O 3.24Å; T385-R423 WeakPolarHBondContact CA-O 3.28Å; T385-R423 WeakPolarHBondContact CG2-O 3.3Å; Y386-R423 HydrophobicContact CD1-CB 4.41Å; Y386-R423 HydrophobicContact CD2-CB 4.42Å; Y386-R423 HydrophobicContact CE1-CB 4.1Å; Y386-R423 HydrophobicContact CE2-CB 4.1Å; Y386-R423 PolarHBondContact N-O 2.69Å; Y386-R423 PolarHBondContact O-N 2.95Å; Y386-R423 WeakPolarHBondContact OH-CD 3.34Å; L421-R423 HydrophobicContact CB-CG 4.43Å; L421-R423 PolarHBondContact O-N 2.8Å; R423-A516 HydrophobicContact CB-CB 4.44Å; R423-A516 WeakPolarHBondContact CB-O 3.49Å; R423-A516 WeakPolarHBondContact CD-O 3.45Å; R423-A516 WeakPolarHBondContact CG-O 3.45Å; R423-A516 PolarHBondContact NH1-O 2.85Å; R423-D517 PolarHBondContact NH1-O 3.21Å; R423-D517 PolarHBondContact NH2-O 2.91Å; R423-I518 PolarHBondContact NH1-O 3.3Å; R423-W522 HydrophobicContact CG-CB 3.86Å; R423-W522 HydrophobicContact CG-CE3 4.31Å; R423-W522 VanDerWaalsContact CZ-CE3 3.44Å; R423-W522 VanDerWaalsContact CZ-CZ3 3.43Å; R423-W522 VanDerWaalsContact NH1-CE3 3.34Å
424	F	97.2	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.			trans	-156.5	142.4	175.9	52.5	-88.2	0	0	0	108.7	V381 T385 L422 Y463 Q521 I523 L535 V537	V381-F424 HydrophobicContact CG1-CB 4.18Å; V381-F424 HydrophobicContact CG1-CD2 4.27Å; V381-F424 HydrophobicContact CG1-CG 4.4Å; T385-F424 HydrophobicContact CG2-CB 4.25Å; L422-F424 WeakPolarHBondContact O-CD1 3.3Å; F424-Y463 AromaticContact CE2-CD1 4Å; F424-Y463 HydrophobicContact CE2-CD1 4Å; F424-Y463 AromaticContact CE2-CE1 3.77Å; F424-Y463 HydrophobicContact CE2-CE1 3.77Å; F424-Y463 HydrophobicContact CE2-CE2 4.32Å; F424-Y463 HydrophobicContact CE2-CG 4.36Å; F424-Y463 AromaticContact CE2-CZ 3.93Å; F424-Y463 AromaticContact CZ-CD1 3.77Å; F424-Y463 HydrophobicContact CZ-CD1 3.77Å; F424-Y463 AromaticContact CZ-CD2 3.79Å; F424-Y463 HydrophobicContact CZ-CD2 3.79Å; F424-Y463 AromaticContact CZ-CE1 3.93Å; F424-Y463 HydrophobicContact CZ-CE1 3.93Å; F424-Y463 AromaticContact CZ-CE2 3.94Å; F424-Y463 HydrophobicContact CZ-CE2 3.94Å; F424-Y463 AromaticContact CZ-CG 3.68Å; F424-Y463 HydrophobicContact CZ-CG 3.68Å; F424-Y463 AromaticContact CZ-CZ 4Å; F424-Q521 PolarHBondContact N-O 2.94Å; F424-Q521 WeakPolarHBondContact O-CG 3.32Å; F424-Q521 PolarHBondContact O-NE2 3.09Å; F424-I523 HydrophobicContact CE1-CG1 4.28Å; F424-L535 HydrophobicContact CD1-CD2 3.9Å; F424-L535 HydrophobicContact CD2-CD2 4.36Å; F424-L535 HydrophobicContact CE1-CD1 4.01Å; F424-L535 HydrophobicContact CE1-CD2 4.17Å; F424-L535 HydrophobicContact CG-CD2 4.03Å; F424-L535 HydrophobicContact CZ-CD1 4.17Å; F424-V537 HydrophobicContact CD2-CG2 4.32Å; F424-V537 HydrophobicContact CE2-CG2 3.68Å; F424-V537 HydrophobicContact CZ-CG2 4.19Å
425	P	95.4	Very high	96.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.013	18%	0.178	C	C	.	.			trans	-76.9	158.5	177.8	38.2	-39.5	0	0	0	109.9	Y380 S384 Y514 A516	Y380-P425 HydrophobicContact CD1-CB 3.89Å; Y380-P425 HydrophobicContact CD1-CG 3.92Å; Y380-P425 HydrophobicContact CE1-CB 4.3Å; Y380-P425 WeakPolarHBondContact O-CG 3.48Å; S384-P425 WeakPolarHBondContact OG-CG 3.43Å; P425-Y514 CarbonylContact C-O 3.47Å; P425-Y514 VanDerWaalsContact CA-O 3.29Å; P425-Y514 WeakPolarHBondContact CA-O 3.17Å; P425-Y514 WeakPolarHBondContact CB-O 3.06Å; P425-A516 HydrophobicContact CB-CB 4.26Å
426	Q	94.4	Very high	96.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.1	172.5	177.3	179	-33.8	0	0	108.8	V428 S461 Y463 T513 Y514	Q426-V428 HydrophobicContact CG-CG2 3.86Å; Q426-V428 VanDerWaalsContact NE2-CG2 3.31Å; Q426-S461 VanDerWaalsContact CD-OG 3.31Å; Q426-S461 PolarHBondContact NE2-OG 2.93Å; Q426-S461 PolarHBondContact OE1-OG 3.34Å; Q426-Y463 VanDerWaalsContact OE1-CE1 3.25Å; Q426-Y463 PolarHBondContact OE1-OH 3.33Å; Q426-T513 CarbonylContact O-C 3.57Å; Q426-T513 WeakPolarHBondContact O-CA 3.49Å; Q426-Y514 PolarHBondContact N-O 2.69Å; Q426-Y514 PolarHBondContact O-N 3.29Å
427	R	95.3	Very high	96.1	Very high	62 Å²	62	28.3 Å²	28.3	23%	0.234	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	167.5	179.2	165.3	69.7	163.8	0.9	108.8	P376 D377 Y380 Y511 D512 T513	P376-R427 CarbonylContact C-O 3.52Å; P376-R427 WeakPolarHBondContact CA-O 3.49Å; D377-R427 HydrophobicContact CB-CB 4.35Å; D377-R427 PolarHBondContact N-O 2.89Å; D377-R427 IonicContact OD2-CZ 3.4Å; D377-R427 IonicContact OD2-NE 3.51Å; D377-R427 PolarHBondContact OD2-NE 3.41Å; D377-R427 IonicContact OD2-NH2 2.68Å; D377-R427 PolarHBondContact OD2-NH2 3.32Å; Y380-R427 HydrophobicContact CD1-CB 3.74Å; Y380-R427 HydrophobicContact CD2-CB 4.31Å; Y380-R427 HydrophobicContact CE1-CB 4.23Å; Y380-R427 HydrophobicContact CG-CB 3.8Å; R427-Y511 HydrophobicContact CG-CD1 4.05Å; R427-Y511 HydrophobicContact CG-CG 4.47Å; R427-D512 WeakPolarHBondContact CA-O 3.4Å; R427-T513 HydrophobicContact CB-CG2 4.29Å; R427-T513 WeakPolarHBondContact CD-OG1 3.4Å; R427-T513 HydrophobicContact CG-CG2 4.48Å; R427-T513 WeakPolarHBondContact CG-OG1 3.49Å
428	V	96.3	Very high	95.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.8	179.6	-173.9	0	0	0	0	108.7	L374 Q426 F460 Y511 D512 V539	L374-V428 HydrophobicContact CB-CG1 3.75Å; L374-V428 HydrophobicContact CD1-CG1 4.31Å; L374-V428 HydrophobicContact CD2-CG1 4Å; L374-V428 HydrophobicContact CG-CG1 4.24Å; Q426-V428 HydrophobicContact CG-CG2 3.86Å; Q426-V428 VanDerWaalsContact NE2-CG2 3.31Å; V428-F460 HydrophobicContact CB-CE1 4.47Å; V428-F460 HydrophobicContact CB-CZ 4.3Å; V428-F460 HydrophobicContact CG1-CZ 4.29Å; V428-F460 HydrophobicContact CG2-CE1 3.88Å; V428-F460 HydrophobicContact CG2-CZ 4.12Å; V428-Y511 CarbonylContact O-C 3.59Å; V428-Y511 WeakPolarHBondContact O-CA 3.23Å; V428-D512 PolarHBondContact N-O 2.89Å; V428-D512 PolarHBondContact O-N 2.93Å; V428-V539 HydrophobicContact CG1-CG1 4.09Å; V428-V539 HydrophobicContact CG2-CG1 4.33Å; V428-V539 HydrophobicContact CG2-CG2 3.87Å
429	K	97.2	Very high	94.8	Very high	45 Å²	45	28.6 Å²	28.6	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.5	172.3	-171.2	-179.4	-174.7	157.5	0	109.9	L374 V375 Q431 D490 C510 Y511	L374-K429 CarbonylContact C-O 3.56Å; L374-K429 WeakPolarHBondContact CA-O 3.34Å; V375-K429 PolarHBondContact N-O 2.82Å; V375-K429 PolarHBondContact O-N 3.01Å; K429-Q431 HydrophobicContact CD-CB 4.09Å; K429-Q431 HydrophobicContact CG-CB 4.39Å; K429-Q431 PolarHBondContact O-N 2.81Å; K429-D490 VanDerWaalsContact CE-OD2 3.24Å; K429-D490 WeakPolarHBondContact CE-OD2 3.22Å; K429-D490 IonicContact NZ-OD1 3.55Å; K429-D490 IonicContact NZ-OD2 2.77Å; K429-D490 PolarHBondContact NZ-OD2 2.99Å; K429-C510 WeakPolarHBondContact CA-O 3.46Å; K429-Y511 HydrophobicContact CB-CD1 3.53Å; K429-Y511 HydrophobicContact CB-CE1 3.58Å; K429-Y511 HydrophobicContact CB-CG 4.36Å; K429-Y511 HydrophobicContact CD-CD1 4.32Å; K429-Y511 HydrophobicContact CD-CE1 3.55Å; K429-Y511 WeakPolarHBondContact CE-OH 3.5Å; K429-Y511 HydrophobicContact CG-CD1 3.79Å; K429-Y511 HydrophobicContact CG-CE1 3.54Å; K429-Y511 HydrophobicContact CG-CE2 4.46Å; K429-Y511 HydrophobicContact CG-CG 4.36Å; K429-Y511 PolarHBondContact NZ-OH 3.21Å
430	N	97.4	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	100.5	155.9	-179.7	6.2	0	0	0	108.3	P372 D373 L374 G432 A434 F436 L506 G509 C510	P372-N430 WeakPolarHBondContact CA-OD1 3.1Å; D373-N430 PolarHBondContact N-OD1 3.41Å; D373-N430 VanDerWaalsContact N-OD1 3.11Å; D373-N430 CarbonylContact O-C 3.37Å; D373-N430 VanDerWaalsContact O-CA 3.29Å; D373-N430 WeakPolarHBondContact O-CA 3.41Å; L374-N430 HydrophobicContact CD2-CB 3.96Å; N430-G432 VanDerWaalsContact C-N 3.32Å; N430-G432 WeakPolarHBondContact OD1-CA 3.3Å; N430-G432 PolarHBondContact OD1-N 3.32Å; N430-A434 PolarHBondContact ND2-O 2.87Å; N430-F436 PolarHBondContact ND2-N 3.44Å; N430-L506 HydrophobicContact CB-CB 4.42Å; N430-L506 HydrophobicContact CB-CD2 3.87Å; N430-L506 HydrophobicContact CB-CG 3.75Å; N430-L506 PolarHBondContact ND2-O 3.44Å; N430-G509 PolarHBondContact O-N 3Å; N430-C510 PolarHBondContact N-O 3.12Å
431	Q	96.6	Very high	93.3	Very high	97 Å²	97	33.6 Å²	33.6	45%	0.453	18%	0.177	S	C	.	.			trans	-89.1	-0.4	175.4	71.9	171.4	13.9	0	0	113.2	D373 V375 K429 N552	D373-Q431 HydrophobicContact CB-CG 3.87Å; D373-Q431 VanDerWaalsContact CG-NE2 3.31Å; D373-Q431 PolarHBondContact O-N 2.7Å; D373-Q431 WeakPolarHBondContact OD1-CG 3.26Å; D373-Q431 PolarHBondContact OD1-NE2 3.21Å; D373-Q431 WeakPolarHBondContact OD2-CG 3.27Å; D373-Q431 PolarHBondContact OD2-NE2 2.86Å; V375-Q431 VanDerWaalsContact CG2-CD 3.4Å; V375-Q431 HydrophobicContact CG2-CG 3.89Å; K429-Q431 HydrophobicContact CD-CB 4.09Å; K429-Q431 HydrophobicContact CG-CB 4.39Å; K429-Q431 PolarHBondContact O-N 2.81Å; Q431-N552 PolarHBondContact NE2-ND2 2.95Å
432	G	95.6	Very high	92.5	Very high	10 Å²	10	41 Å²	41	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-75.4	-165.6	-174.7	0	0	0	0	0	114	N430	N430-G432 VanDerWaalsContact C-N 3.32Å; N430-G432 WeakPolarHBondContact OD1-CA 3.3Å; N430-G432 PolarHBondContact OD1-N 3.32Å
433	T	94.7	Very high	91.8	Very high	90 Å²	90	48.7 Å²	48.7	55%	0.552	24%	0.241	S	C	*	.	S	Bend	trans	-113.7	0.1	-174	52.9	0	0	0	0	113.9	Y362 G370 L371	Y362-T433 PolarHBondContact OH-O 3.24Å; G370-T433 VanDerWaalsContact CA-OG1 3.22Å; G370-T433 WeakPolarHBondContact CA-OG1 3.15Å; L371-T433 PolarHBondContact N-OG1 3.36Å; L371-T433 PolarHBondContact O-N 3.46Å; L371-T433 PolarHBondContact O-OG1 3.37Å
434	A	95	Very high	91.2	Very high	19 Å²	19	50.7 Å²	50.7	16%	0.157	26%	0.255	C	S	.	.	S	Bend	trans	-140.6	168.8	172.1	0	0	0	0	0	111.8	G370 L371 P372 N430	G370-A434 VanDerWaalsContact O-CB 3.3Å; G370-A434 WeakPolarHBondContact O-CB 3.22Å; L371-A434 PolarHBondContact O-N 3.4Å; L371-A434 VanDerWaalsContact O-N 3.16Å; P372-A434 WeakPolarHBondContact CA-O 3.36Å; N430-A434 PolarHBondContact ND2-O 2.87Å
435	D	94.4	Very high	90.7	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	26%	0.26	C	S	.	.			trans	-73.3	128	-173.7	-50.7	-18.2	0	0	0	109.5	L437 R496 Y497 P508	D435-L437 HydrophobicContact CB-CD2 4.12Å; D435-L437 HydrophobicContact CB-CG 4.2Å; D435-L437 PolarHBondContact O-N 2.72Å; D435-R496 VanDerWaalsContact CG-NH1 3.32Å; D435-R496 IonicContact OD1-CZ 3.48Å; D435-R496 IonicContact OD1-NH1 3.55Å; D435-R496 PolarHBondContact OD1-NH1 2.88Å; D435-R496 IonicContact OD1-NH2 2.8Å; D435-R496 PolarHBondContact OD1-NH2 2.89Å; D435-R496 IonicContact OD2-CZ 2.81Å; D435-R496 IonicContact OD2-NH1 3.23Å; D435-R496 PolarHBondContact OD2-NH1 3.31Å; D435-R496 IonicContact OD2-NH2 3.4Å; D435-Y497 HydrophobicContact CB-CE2 4.39Å; D435-Y497 PolarHBondContact OD2-OH 2.94Å; D435-Y497 VanDerWaalsContact OD2-OH 3.12Å; D435-P508 WeakPolarHBondContact OD1-CD 3.35Å
436	F	93.7	Very high	90.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-75.5	117.1	169.1	-175.4	-86.9	0	0	0	107.5	P372 L374 N430 M457 F460 L484 G505 L506 V545	P372-F436 HydrophobicContact CB-CB 3.72Å; P372-F436 HydrophobicContact CB-CD2 4.02Å; P372-F436 HydrophobicContact CB-CG 4.38Å; P372-F436 HydrophobicContact CG-CB 4.17Å; P372-F436 HydrophobicContact CG-CD2 3.88Å; P372-F436 HydrophobicContact CG-CG 4.49Å; L374-F436 HydrophobicContact CD1-CD1 4.29Å; L374-F436 HydrophobicContact CD1-CD2 3.49Å; L374-F436 VanDerWaalsContact CD1-CD2 3.49Å; L374-F436 HydrophobicContact CD1-CE1 4.15Å; L374-F436 HydrophobicContact CD1-CE2 3.3Å; L374-F436 HydrophobicContact CD1-CG 3.99Å; L374-F436 HydrophobicContact CD1-CZ 3.67Å; L374-F436 HydrophobicContact CD2-CB 4.17Å; L374-F436 HydrophobicContact CD2-CD2 4.01Å; L374-F436 HydrophobicContact CD2-CG 4.1Å; L374-F436 HydrophobicContact CG-CD2 3.72Å; L374-F436 HydrophobicContact CG-CE2 3.97Å; L374-F436 HydrophobicContact CG-CG 4.28Å; N430-F436 PolarHBondContact ND2-N 3.44Å; F436-M457 HydrophobicContact CE1-SD 3.92Å; F436-M457 HydrophobicContact CZ-CE 4.34Å; F436-M457 HydrophobicContact CZ-SD 4.12Å; F436-F460 HydrophobicContact CE1-CD2 4.25Å; F436-F460 AromaticContact CE1-CE2 3.89Å; F436-F460 HydrophobicContact CE1-CE2 3.89Å; F436-F460 HydrophobicContact CZ-CD2 4.43Å; F436-F460 HydrophobicContact CZ-CE2 4.13Å; F436-L484 HydrophobicContact CD1-CD1 4.36Å; F436-L484 HydrophobicContact CE1-CD1 4.08Å; F436-G505 CarbonylContact O-C 3.55Å; F436-G505 WeakPolarHBondContact O-CA 3.31Å; F436-L506 HydrophobicContact CB-CB 4.23Å; F436-L506 PolarHBondContact N-O 2.85Å; F436-L506 PolarHBondContact O-N 3.26Å; F436-V545 HydrophobicContact CD2-CB 4.21Å; F436-V545 HydrophobicContact CD2-CG1 3.68Å; F436-V545 HydrophobicContact CE1-CG2 4.26Å; F436-V545 HydrophobicContact CE2-CB 3.48Å; F436-V545 VanDerWaalsContact CE2-CB 3.48Å; F436-V545 HydrophobicContact CE2-CG1 3.5Å; F436-V545 VanDerWaalsContact CE2-CG1 3.5Å; F436-V545 HydrophobicContact CE2-CG2 3.93Å; F436-V545 HydrophobicContact CG-CG1 4.4Å; F436-V545 HydrophobicContact CZ-CB 3.76Å; F436-V545 HydrophobicContact CZ-CG1 4.08Å; F436-V545 HydrophobicContact CZ-CG2 3.66Å
437	L	91.1	Very high	89.5	Confident	84 Å²	84	63.1 Å²	63.1	44%	0.44	31%	0.306	S	S	.	.			trans	-119.2	138.4	-176.9	-61.8	178.9	0	0	0	110.1	D435 N439 Y497 V545	D435-L437 HydrophobicContact CB-CD2 4.12Å; D435-L437 HydrophobicContact CB-CG 4.2Å; D435-L437 PolarHBondContact O-N 2.72Å; L437-N439 PolarHBondContact O-N 3.01Å; L437-Y497 HydrophobicContact CD2-CE1 4.03Å; L437-V545 WeakPolarHBondContact O-CG2 3.38Å
438	P	85.4	Confident	88.8	Confident	18 Å²	18	61.5 Å²	61.5	12%	0.117	30%	0.301	C	S	.	.			trans	-62.8	132.9	175.7	23.5	-32	0	0	0	111.7	R440 W445 S456 M457 L484 Q504	P438-R440 PolarHBondContact O-N 2.69Å; P438-W445 HydrophobicContact CG-CZ2 3.83Å; P438-S456 VanDerWaalsContact CB-CB 3.49Å; P438-S456 WeakPolarHBondContact CB-O 3.47Å; P438-S456 WeakPolarHBondContact CB-OG 3.28Å; P438-M457 HydrophobicContact CB-CG 3.83Å; P438-M457 HydrophobicContact CB-SD 4.41Å; P438-L484 HydrophobicContact CB-CD1 3.99Å; P438-L484 HydrophobicContact CG-CD1 4.26Å; P438-Q504 HydrophobicContact CG-CB 4.2Å
439	N	81.6	Confident	88	Confident	106 Å²	106	65.6 Å²	65.6	57%	0.567	33%	0.33	S	S	*	.	S	Bend	trans	-72.2	-25.1	-176.7	-177.1	57.4	0	0	0	114	L437 I544 V545	L437-N439 PolarHBondContact O-N 3.01Å; N439-I544 HydrophobicContact CB-CG2 3.56Å; N439-I544 WeakPolarHBondContact ND2-CG2 3.24Å; N439-V545 HydrophobicContact CB-CG2 4.25Å
440	R	81.8	Confident	87.1	Confident	54 Å²	54	65.6 Å²	65.6	20%	0.204	34%	0.335	C	S	.	.	S	Bend	trans	-71.3	130.9	176.5	-70.9	178.5	157.3	-140	11.9	109.9	P438 T444 W445 E446 S456 D458	P438-R440 PolarHBondContact O-N 2.69Å; R440-T444 PolarHBondContact NH1-O 3.06Å; R440-W445 PolarHBondContact O-NE1 2.72Å; R440-E446 IonicContact CZ-OE1 3.26Å; R440-E446 VanDerWaalsContact CZ-OE1 3.29Å; R440-E446 IonicContact NH1-OE1 3.79Å; R440-E446 PolarHBondContact NH1-OE1 2.82Å; R440-E446 IonicContact NH2-OE1 3.86Å; R440-E446 PolarHBondContact NH2-OE1 3.39Å; R440-S456 VanDerWaalsContact CB-O 3.31Å; R440-S456 WeakPolarHBondContact CB-O 3.46Å; R440-D458 IonicContact CZ-OD1 3.02Å; R440-D458 IonicContact CZ-OD2 2.69Å; R440-D458 IonicContact NE-OD1 3.58Å; R440-D458 IonicContact NE-OD2 2.77Å; R440-D458 PolarHBondContact NE-OD2 2.78Å; R440-D458 IonicContact NH2-OD1 3.62Å; R440-D458 PolarHBondContact NH2-OD1 3.06Å; R440-D458 IonicContact NH2-OD2 3.32Å; R440-D458 PolarHBondContact NH2-OD2 2.03Å
441	P	82.2	Confident	86.2	Confident	69 Å²	69	66.5 Å²	66.5	45%	0.448	34%	0.339	S	S	.	.			trans	-65.2	146.8	174.6	28.2	-34.9	0	0	0	110.8	H443 T444	P441-H443 PolarHBondContact O-N 3.44Å; P441-T444 VanDerWaalsContact CD-OG1 3.31Å; P441-T444 WeakPolarHBondContact CD-OG1 3.37Å; P441-T444 HydrophobicContact CG-CG2 4.18Å; P441-T444 PolarHBondContact O-N 2.85Å; P441-T444 PolarHBondContact O-OG1 2.75Å
442	R	81.9	Confident	85.5	Confident	155 Å²	155	68.8 Å²	68.8	59%	0.585	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-55.7	-20.5	-168.9	-168.1	173.1	-175.5	-88.4	8.1	116.3	T444 W445 H502	R442-T444 VanDerWaalsContact C-N 3.34Å; R442-W445 HydrophobicContact CB-CD2 4.35Å; R442-W445 HydrophobicContact CB-CZ2 4.29Å; R442-W445 HydrophobicContact CG-CD2 4.03Å; R442-W445 HydrophobicContact CG-CE3 3.86Å; R442-W445 HydrophobicContact CG-CH2 4.1Å; R442-W445 HydrophobicContact CG-CZ2 4.25Å; R442-W445 HydrophobicContact CG-CZ3 3.9Å; R442-H502 PolarHBondContact NE-O 3.11Å; R442-H502 VanDerWaalsContact NH2-CB 3.31Å; R442-H502 PolarHBondContact NH2-O 3.12Å
443	H	83.8	Confident	84.8	Confident	165 Å²	165	69.2 Å²	69.2	76%	0.764	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-84.1	-6.6	175.4	64.2	-99.6	0	0	0	113.9	P441	P441-H443 PolarHBondContact O-N 3.44Å
444	T	85	Confident	84.2	Confident	53 Å²	53	68.9 Å²	68.9	33%	0.325	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-111.4	16.2	173.2	62.2	0	0	0	0	112.1	R440 P441 R442	R440-T444 PolarHBondContact NH1-O 3.06Å; P441-T444 VanDerWaalsContact CD-OG1 3.31Å; P441-T444 WeakPolarHBondContact CD-OG1 3.37Å; P441-T444 HydrophobicContact CG-CG2 4.18Å; P441-T444 PolarHBondContact O-N 2.85Å; P441-T444 PolarHBondContact O-OG1 2.75Å; R442-T444 VanDerWaalsContact C-N 3.34Å
445	W	86	Confident	83.7	Confident	33 Å²	33	68.9 Å²	68.9	13%	0.125	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-78.7	133.6	169.8	-66	1.1	0	0	0	109.1	P438 R440 R442 Y454 H455 Q504	P438-W445 HydrophobicContact CG-CZ2 3.83Å; R440-W445 PolarHBondContact O-NE1 2.72Å; R442-W445 HydrophobicContact CB-CD2 4.35Å; R442-W445 HydrophobicContact CB-CZ2 4.29Å; R442-W445 HydrophobicContact CG-CD2 4.03Å; R442-W445 HydrophobicContact CG-CE3 3.86Å; R442-W445 HydrophobicContact CG-CH2 4.1Å; R442-W445 HydrophobicContact CG-CZ2 4.25Å; R442-W445 HydrophobicContact CG-CZ3 3.9Å; W445-Y454 HydrophobicContact CB-CD1 3.74Å; W445-Y454 HydrophobicContact CB-CG 4.22Å; W445-Y454 HydrophobicContact CE3-CG 4.35Å; W445-Y454 WeakPolarHBondContact O-CD1 3.37Å; W445-H455 CarbonylContact C-O 3.58Å; W445-H455 VanDerWaalsContact CA-O 3.26Å; W445-H455 WeakPolarHBondContact CA-O 3.15Å; W445-H455 WeakPolarHBondContact CB-O 3.38Å; W445-Q504 HydrophobicContact CH2-CB 3.72Å; W445-Q504 HydrophobicContact CH2-CG 3.9Å; W445-Q504 HydrophobicContact CZ2-CB 4.3Å; W445-Q504 HydrophobicContact CZ3-CB 4.24Å; W445-Q504 HydrophobicContact CZ3-CG 3.88Å
446	E	82.8	Confident	83	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.5	-174.9	-69.6	169.2	-144.6	0	0	109.2	R440 Y454 H455	R440-E446 IonicContact CZ-OE1 3.26Å; R440-E446 VanDerWaalsContact CZ-OE1 3.29Å; R440-E446 IonicContact NH1-OE1 3.79Å; R440-E446 PolarHBondContact NH1-OE1 2.82Å; R440-E446 IonicContact NH2-OE1 3.86Å; R440-E446 PolarHBondContact NH2-OE1 3.39Å; E446-Y454 CarbonylContact O-C 3.58Å; E446-Y454 WeakPolarHBondContact O-CA 3.37Å; E446-H455 PolarHBondContact N-O 3.05Å; E446-H455 PolarHBondContact O-N 3.05Å
447	W	82.6	Confident	82.4	Confident	119 Å²	119	67.8 Å²	67.8	45%	0.451	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.2	178.9	171.8	-93	0	0	0	110.4	Q452 Y454	W447-Q452 HydrophobicContact CH2-CB 4.22Å; W447-Q452 WeakPolarHBondContact CH2-O 2.99Å; W447-Q452 HydrophobicContact CZ2-CB 4.14Å; W447-Y454 HydrophobicContact CB-CD1 4.1Å; W447-Y454 HydrophobicContact CB-CE1 3.83Å; W447-Y454 HydrophobicContact CE3-CD1 4.48Å; W447-Y454 AromaticContact CE3-CD2 3.67Å; W447-Y454 HydrophobicContact CE3-CD2 3.67Å; W447-Y454 HydrophobicContact CE3-CE1 4.37Å; W447-Y454 AromaticContact CE3-CE2 3.51Å; W447-Y454 HydrophobicContact CE3-CE2 3.51Å; W447-Y454 HydrophobicContact CE3-CG 4.16Å; W447-Y454 AromaticContact CE3-CZ 3.88Å; W447-Y454 HydrophobicContact CZ3-CD2 4.08Å; W447-Y454 AromaticContact CZ3-CE2 3.95Å; W447-Y454 HydrophobicContact CZ3-CE2 3.95Å
448	H	79.4	Confident	81.7	Confident	27 Å²	27	68.3 Å²	68.3	13%	0.125	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.4	177.5	-148.5	-122.7	0	0	0	111.9	E401 C450 H451 Q452 H453 H455	E401-H448 VanDerWaalsContact CD-CE1 3.49Å; E401-H448 WeakPolarHBondContact CG-CE1 3.41Å; E401-H448 IonicContact OE1-CE1 2.64Å; E401-H448 PolarHBondContact OE1-CE1 2.82Å; E401-H448 IonicContact OE1-ND1 3.56Å; E401-H448 PolarHBondContact OE1-ND1 3Å; E401-H448 IonicContact OE1-NE2 3.33Å; H448-C450 PolarHBondContact O-N 3.36Å; H448-C450 VanDerWaalsContact O-N 3.16Å; H448-H451 AromaticContact ND1-CE1 3.79Å; H448-H451 AromaticContact ND1-ND1 3.6Å; H448-H451 PolarHBondContact O-N 3.42Å; H448-Q452 PolarHBondContact O-N 3.49Å; H448-H453 PolarHBondContact N-O 3.02Å; H448-H455 AromaticContact CG-CE1 3.71Å; H448-H455 AromaticContact ND1-CE1 3.93Å
449	S	79.4	Confident	81.6	Confident	88 Å²	88	68.5 Å²	68.5	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.4	-173.7	-65.1	0	0	0	0	114	H451	S449-H451 VanDerWaalsContact C-N 3.33Å; S449-H451 PolarHBondContact O-N 2.97Å
450	C	79.1	Confident	81.9	Confident	45 Å²	45	63.5 Å²	63.5	30%	0.304	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.9	177.3	-73	0	0	0	0	113.7	C397 H448	C397-C450 VanDerWaalsContact CA-SG 3.58Å; C397-C450 HydrophobicContact CB-CB 3.47Å; C397-C450 VanDerWaalsContact CB-CB 3.47Å; C397-C450 WeakPolarHBondContact CB-SG 3.41Å; C397-C450 WeakPolarHBondContact SG-CB 3.44Å; C397-C450 CovalentContact SG-SG 2.03Å; C397-C450 PolarHBondContact SG-SG 2.76Å; H448-C450 PolarHBondContact O-N 3.36Å; H448-C450 VanDerWaalsContact O-N 3.16Å
451	H	77.4	Confident	82.4	Confident	19 Å²	19	61 Å²	61	9%	0.088	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	2.4	-174.6	-47.7	145	0	0	0	113.3	E401 H448 S449 H453 F482 D519	E401-H451 IonicContact OE1-CE1 2.91Å; E401-H451 PolarHBondContact OE1-CE1 3.32Å; E401-H451 IonicContact OE1-ND1 2.7Å; H448-H451 AromaticContact ND1-CE1 3.79Å; H448-H451 AromaticContact ND1-ND1 3.6Å; H448-H451 PolarHBondContact O-N 3.42Å; S449-H451 VanDerWaalsContact C-N 3.33Å; S449-H451 PolarHBondContact O-N 2.97Å; H451-H453 VanDerWaalsContact C-N 3.29Å; H451-H453 VanDerWaalsContact CB-CE1 3.41Å; H451-H453 WeakPolarHBondContact CB-CE1 3.36Å; H451-H453 WeakPolarHBondContact CB-ND1 2.99Å; H451-H453 PolarHBondContact O-N 3.13Å; H451-H453 PolarHBondContact O-ND1 2.97Å; H451-F482 HydrophobicContact CB-CE2 4.15Å; H451-F482 AromaticContact ND1-CE2 3.78Å; H451-D519 IonicContact CD2-OD2 3.23Å; H451-D519 VanDerWaalsContact CE1-CB 3.48Å; H451-D519 WeakPolarHBondContact CE1-CB 3.3Å; H451-D519 IonicContact CE1-OD2 3.8Å; H451-D519 WeakPolarHBondContact NE2-CB 3.29Å; H451-D519 IonicContact NE2-OD2 2.63Å; H451-D519 PolarHBondContact NE2-OD2 2.77Å
452	Q	82.2	Confident	82.9	Confident	144 Å²	144	59.2 Å²	59.2	67%	0.673	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	38.8	170.8	-56.3	-177.5	-1.5	0	0	114.2	W447 H448	W447-Q452 HydrophobicContact CH2-CB 4.22Å; W447-Q452 WeakPolarHBondContact CH2-O 2.99Å; W447-Q452 HydrophobicContact CZ2-CB 4.14Å; H448-Q452 PolarHBondContact O-N 3.49Å
453	H	81.1	Confident	83.6	Confident	19 Å²	19	51.9 Å²	51.9	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-178.5	172.4	68.8	-80	0	0	0	111.2	H448 H451 H455 F482 C483 C499	H448-H453 PolarHBondContact N-O 3.02Å; H451-H453 VanDerWaalsContact C-N 3.29Å; H451-H453 VanDerWaalsContact CB-CE1 3.41Å; H451-H453 WeakPolarHBondContact CB-CE1 3.36Å; H451-H453 WeakPolarHBondContact CB-ND1 2.99Å; H451-H453 PolarHBondContact O-N 3.13Å; H451-H453 PolarHBondContact O-ND1 2.97Å; H453-H455 AromaticContact NE2-CD2 3.6Å; H453-H455 AromaticContact NE2-NE2 3.66Å; H453-F482 AromaticContact CE1-CD2 3.48Å; H453-F482 VanDerWaalsContact CE1-CD2 3.48Å; H453-F482 WeakPolarHBondContact CE1-CD2 3.25Å; H453-F482 AromaticContact CE1-CE2 3.34Å; H453-F482 WeakPolarHBondContact CE1-CE2 3.31Å; H453-F482 AromaticContact CE1-CG 3.93Å; H453-F482 AromaticContact CE1-CZ 3.62Å; H453-F482 AromaticContact NE2-CD2 3.53Å; H453-F482 AromaticContact NE2-CE2 3.89Å; H453-F482 AromaticContact NE2-CG 3.62Å; H453-C483 PolarHBondContact CD2-N 3.09Å; H453-C483 PolarHBondContact NE2-N 3.46Å; H453-C499 HydrophobicContact CB-CB 4.49Å
454	Y	83.4	Confident	84.3	Confident	84 Å²	84	44.8 Å²	44.8	33%	0.329	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.5	-177.6	-79.4	-82.4	0	0	0	112.1	W445 E446 W447 Q504	W445-Y454 HydrophobicContact CB-CD1 3.74Å; W445-Y454 HydrophobicContact CB-CG 4.22Å; W445-Y454 HydrophobicContact CE3-CG 4.35Å; W445-Y454 WeakPolarHBondContact O-CD1 3.37Å; E446-Y454 CarbonylContact O-C 3.58Å; E446-Y454 WeakPolarHBondContact O-CA 3.37Å; W447-Y454 HydrophobicContact CB-CD1 4.1Å; W447-Y454 HydrophobicContact CB-CE1 3.83Å; W447-Y454 HydrophobicContact CE3-CD1 4.48Å; W447-Y454 AromaticContact CE3-CD2 3.67Å; W447-Y454 HydrophobicContact CE3-CD2 3.67Å; W447-Y454 HydrophobicContact CE3-CE1 4.37Å; W447-Y454 AromaticContact CE3-CE2 3.51Å; W447-Y454 HydrophobicContact CE3-CE2 3.51Å; W447-Y454 HydrophobicContact CE3-CG 4.16Å; W447-Y454 AromaticContact CE3-CZ 3.88Å; W447-Y454 HydrophobicContact CZ3-CD2 4.08Å; W447-Y454 AromaticContact CZ3-CE2 3.95Å; W447-Y454 HydrophobicContact CZ3-CE2 3.95Å; Y454-Q504 PolarHBondContact O-NE2 2.68Å
455	H	83.4	Confident	84.9	Confident	19 Å²	19	42.4 Å²	42.4	9%	0.088	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.1	167.1	-64.2	176.4	0	0	0	109.7	E401 W445 E446 H448 H453 S481	E401-H455 IonicContact OE2-CE1 3.48Å; E401-H455 PolarHBondContact OE2-CE1 2.76Å; E401-H455 VanDerWaalsContact OE2-CE1 3.32Å; W445-H455 CarbonylContact C-O 3.58Å; W445-H455 VanDerWaalsContact CA-O 3.26Å; W445-H455 WeakPolarHBondContact CA-O 3.15Å; W445-H455 WeakPolarHBondContact CB-O 3.38Å; E446-H455 PolarHBondContact N-O 3.05Å; E446-H455 PolarHBondContact O-N 3.05Å; H448-H455 AromaticContact CG-CE1 3.71Å; H448-H455 AromaticContact ND1-CE1 3.93Å; H453-H455 AromaticContact NE2-CD2 3.6Å; H453-H455 AromaticContact NE2-NE2 3.66Å; H455-S481 VanDerWaalsContact CA-O 3.26Å; H455-S481 WeakPolarHBondContact CA-O 3.35Å; H455-S481 WeakPolarHBondContact CB-O 3.41Å; H455-S481 PolarHBondContact CD2-O 3.15Å
456	S	80.8	Confident	85.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.			trans	-113.9	-3.5	-167.8	63.4	0	0	0	0	115	P438 R440 S481 Q504	P438-S456 VanDerWaalsContact CB-CB 3.49Å; P438-S456 WeakPolarHBondContact CB-O 3.47Å; P438-S456 WeakPolarHBondContact CB-OG 3.28Å; R440-S456 VanDerWaalsContact CB-O 3.31Å; R440-S456 WeakPolarHBondContact CB-O 3.46Å; S456-S481 PolarHBondContact N-OG 2.88Å; S456-Q504 PolarHBondContact OG-OE1 2.78Å
457	M	80.2	Confident	86.2	Confident	9 Å²	9	38 Å²	38	4%	0.044	19%	0.189	C	C	.	.	S	Bend	trans	-150.9	148.6	170.9	-50.1	172.2	54.6	0	0	109	F436 P438 E459 S481 L484 V545	F436-M457 HydrophobicContact CE1-SD 3.92Å; F436-M457 HydrophobicContact CZ-CE 4.34Å; F436-M457 HydrophobicContact CZ-SD 4.12Å; P438-M457 HydrophobicContact CB-CG 3.83Å; P438-M457 HydrophobicContact CB-SD 4.41Å; M457-E459 PolarHBondContact O-N 3.32Å; M457-S481 PolarHBondContact N-OG 2.92Å; M457-S481 VanDerWaalsContact O-CB 3.26Å; M457-S481 WeakPolarHBondContact O-CB 3.29Å; M457-S481 PolarHBondContact O-N 2.81Å; M457-S481 PolarHBondContact O-OG 2.84Å; M457-L484 HydrophobicContact SD-CD1 4.12Å; M457-V545 HydrophobicContact CE-CG2 4.09Å; M457-V545 HydrophobicContact SD-CG2 4.4Å
458	D	76	Confident	86.9	Confident	95 Å²	95	34.8 Å²	34.8	51%	0.508	19%	0.187	S	C	.	.	S	Bend	trans	-61.6	-29	179	-59.3	-104.5	0	0	0	114	R440 A480	R440-D458 IonicContact CZ-OD1 3.02Å; R440-D458 IonicContact CZ-OD2 2.69Å; R440-D458 IonicContact NE-OD1 3.58Å; R440-D458 IonicContact NE-OD2 2.77Å; R440-D458 PolarHBondContact NE-OD2 2.78Å; R440-D458 IonicContact NH2-OD1 3.62Å; R440-D458 PolarHBondContact NH2-OD1 3.06Å; R440-D458 IonicContact NH2-OD2 3.32Å; R440-D458 PolarHBondContact NH2-OD2 2.03Å; D458-A480 WeakPolarHBondContact O-CA 3.33Å
459	E	83.9	Confident	87.7	Confident	23 Å²	23	38 Å²	38	11%	0.107	22%	0.218	C	C	.	.			trans	-160.4	114.9	-173.9	-176.8	173.5	-135.7	0	0	108.6	M457 H462 H478 P541 K542	M457-E459 PolarHBondContact O-N 3.32Å; E459-H462 WeakPolarHBondContact OE1-CB 3.3Å; E459-H462 IonicContact OE1-CE1 3.36Å; E459-H462 IonicContact OE1-CG 2.75Å; E459-H462 IonicContact OE1-ND1 3.74Å; E459-H462 PolarHBondContact OE1-ND1 2.7Å; E459-H478 HydrophobicContact CG-CB 4.44Å; E459-P541 HydrophobicContact CG-CG 4.08Å; E459-K542 WeakPolarHBondContact OE2-CE 3.25Å; E459-K542 IonicContact OE2-NZ 3.49Å; E459-K542 PolarHBondContact OE2-NZ 2.97Å
460	F	87.9	Confident	88.6	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-91.6	-36	173.8	176.5	-113.8	0	0	0	111.4	L374 V428 F436 K479 L484 Y514 V539 N540	L374-F460 HydrophobicContact CD1-CE2 3.63Å; L374-F460 HydrophobicContact CD1-CZ 3.98Å; V428-F460 HydrophobicContact CB-CE1 4.47Å; V428-F460 HydrophobicContact CB-CZ 4.3Å; V428-F460 HydrophobicContact CG1-CZ 4.29Å; V428-F460 HydrophobicContact CG2-CE1 3.88Å; V428-F460 HydrophobicContact CG2-CZ 4.12Å; F436-F460 HydrophobicContact CE1-CD2 4.25Å; F436-F460 AromaticContact CE1-CE2 3.89Å; F436-F460 HydrophobicContact CE1-CE2 3.89Å; F436-F460 HydrophobicContact CZ-CD2 4.43Å; F436-F460 HydrophobicContact CZ-CE2 4.13Å; F460-K479 PolarHBondContact N-O 2.96Å; F460-L484 HydrophobicContact CD1-CD2 4.46Å; F460-L484 HydrophobicContact CD2-CD2 3.72Å; F460-L484 HydrophobicContact CE1-CD2 4.42Å; F460-L484 HydrophobicContact CE2-CD2 3.69Å; F460-L484 HydrophobicContact CG-CD2 4.11Å; F460-L484 HydrophobicContact CZ-CD2 4.05Å; F460-Y514 AromaticContact CD1-CE2 3.9Å; F460-Y514 HydrophobicContact CD1-CE2 3.9Å; F460-Y514 HydrophobicContact CE1-CE2 4.03Å; F460-V539 HydrophobicContact CE1-CG1 4.25Å; F460-V539 HydrophobicContact CE2-CG1 4.05Å; F460-V539 HydrophobicContact CZ-CG1 3.85Å; F460-N540 PolarHBondContact O-N 2.99Å
461	S	91.6	Very high	89.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142	173	41.4	0	0	0	0	112.7	Q426 Y463 K479 H538	Q426-S461 VanDerWaalsContact CD-OG 3.31Å; Q426-S461 PolarHBondContact NE2-OG 2.93Å; Q426-S461 PolarHBondContact OE1-OG 3.34Å; S461-Y463 PolarHBondContact OG-OH 2.88Å; S461-K479 PolarHBondContact O-N 2.85Å; S461-H538 CarbonylContact C-O 3.52Å; S461-H538 WeakPolarHBondContact CA-O 3.41Å; S461-H538 WeakPolarHBondContact CB-O 3.5Å
462	H	94.3	Very high	90.3	Very high	33 Å²	33	45 Å²	45	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.3	173.3	-165.1	81.2	0	0	0	110.3	E459 D464 K473 E476 H538 P541	E459-H462 WeakPolarHBondContact OE1-CB 3.3Å; E459-H462 IonicContact OE1-CE1 3.36Å; E459-H462 IonicContact OE1-CG 2.75Å; E459-H462 IonicContact OE1-ND1 3.74Å; E459-H462 PolarHBondContact OE1-ND1 2.7Å; H462-D464 IonicContact CD2-OD1 3.43Å; H462-D464 PolarHBondContact CD2-OD1 3.11Å; H462-D464 IonicContact NE2-OD1 2.94Å; H462-D464 PolarHBondContact NE2-OD1 3.41Å; H462-K473 PolarHBondContact NE2-NZ 3.27Å; H462-E476 IonicContact CE1-OE2 3.78Å; H462-E476 IonicContact NE2-OE2 2.73Å; H462-H538 PolarHBondContact N-O 3.4Å; H462-H538 PolarHBondContact O-N 3.27Å; H462-P541 HydrophobicContact CB-CB 4.07Å; H462-P541 HydrophobicContact CB-CG 3.91Å
463	Y	96.1	Very high	91	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104.8	-175.7	-49.1	-43.2	0	0	0	110.1	F424 Q426 S461 E476 G477 K479 Q521 K536 V537	F424-Y463 AromaticContact CE2-CD1 4Å; F424-Y463 HydrophobicContact CE2-CD1 4Å; F424-Y463 AromaticContact CE2-CE1 3.77Å; F424-Y463 HydrophobicContact CE2-CE1 3.77Å; F424-Y463 HydrophobicContact CE2-CE2 4.32Å; F424-Y463 HydrophobicContact CE2-CG 4.36Å; F424-Y463 AromaticContact CE2-CZ 3.93Å; F424-Y463 AromaticContact CZ-CD1 3.77Å; F424-Y463 HydrophobicContact CZ-CD1 3.77Å; F424-Y463 AromaticContact CZ-CD2 3.79Å; F424-Y463 HydrophobicContact CZ-CD2 3.79Å; F424-Y463 AromaticContact CZ-CE1 3.93Å; F424-Y463 HydrophobicContact CZ-CE1 3.93Å; F424-Y463 AromaticContact CZ-CE2 3.94Å; F424-Y463 HydrophobicContact CZ-CE2 3.94Å; F424-Y463 AromaticContact CZ-CG 3.68Å; F424-Y463 HydrophobicContact CZ-CG 3.68Å; F424-Y463 AromaticContact CZ-CZ 4Å; Q426-Y463 VanDerWaalsContact OE1-CE1 3.25Å; Q426-Y463 PolarHBondContact OE1-OH 3.33Å; S461-Y463 PolarHBondContact OG-OH 2.88Å; Y463-E476 CarbonylContact O-C 3.59Å; Y463-E476 VanDerWaalsContact O-CA 3.31Å; Y463-E476 WeakPolarHBondContact O-CA 3.17Å; Y463-G477 WeakPolarHBondContact CA-O 3.5Å; Y463-G477 WeakPolarHBondContact CB-O 3.08Å; Y463-G477 PolarHBondContact N-O 2.88Å; Y463-G477 PolarHBondContact O-N 2.98Å; Y463-K479 HydrophobicContact CE2-CB 4.1Å; Y463-K479 WeakPolarHBondContact OH-CB 3.43Å; Y463-Q521 PolarHBondContact OH-NE2 3.07Å; Y463-Q521 PolarHBondContact OH-OE1 2.81Å; Y463-K536 WeakPolarHBondContact CA-O 3.25Å; Y463-V537 HydrophobicContact CD1-CB 4.29Å; Y463-V537 HydrophobicContact CD1-CG1 4.01Å; Y463-V537 HydrophobicContact CD1-CG2 3.9Å; Y463-V537 HydrophobicContact CE1-CG1 3.82Å; Y463-V537 HydrophobicContact CE1-CG2 4.21Å
464	D	97.4	Very high	91.8	Very high	16 Å²	16	43.8 Å²	43.8	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.2	171.5	-53	-67.2	0	0	0	109.8	H462 L466 K473 K536	H462-D464 IonicContact CD2-OD1 3.43Å; H462-D464 PolarHBondContact CD2-OD1 3.11Å; H462-D464 IonicContact NE2-OD1 2.94Å; H462-D464 PolarHBondContact NE2-OD1 3.41Å; D464-L466 HydrophobicContact CB-CD2 3.77Å; D464-L466 HydrophobicContact CB-CG 4.17Å; D464-K473 HydrophobicContact CB-CD 3.85Å; D464-K473 WeakPolarHBondContact OD1-CD 3.18Å; D464-K473 WeakPolarHBondContact OD1-CE 3.43Å; D464-K473 IonicContact OD1-NZ 3.13Å; D464-K473 PolarHBondContact OD1-NZ 3.28Å; D464-K536 HydrophobicContact CB-CB 4.22Å; D464-K536 PolarHBondContact N-O 3.18Å; D464-K536 PolarHBondContact O-N 2.81Å; D464-K536 WeakPolarHBondContact OD2-CD 3.31Å; D464-K536 WeakPolarHBondContact OD2-CE 3.23Å; D464-K536 IonicContact OD2-NZ 3.66Å; D464-K536 PolarHBondContact OD2-NZ 3.46Å
465	L	98.3	Very high	92.5	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.8	159.4	-167.8	67.6	0	0	0	108.5	L422 V474 A475 I523 I525 V528 Y533 L535 I559	L422-L465 HydrophobicContact CD2-CD1 4.03Å; L465-V474 HydrophobicContact CB-CG2 4.28Å; L465-V474 HydrophobicContact CD2-CG2 4.15Å; L465-V474 HydrophobicContact CG-CG2 4.06Å; L465-V474 VanDerWaalsContact O-CG2 3.3Å; L465-V474 WeakPolarHBondContact O-CG2 3.27Å; L465-V474 PolarHBondContact O-N 2.86Å; L465-A475 HydrophobicContact CB-CB 4.23Å; L465-A475 HydrophobicContact CD2-CB 4.49Å; L465-A475 PolarHBondContact N-O 3.42Å; L465-A475 PolarHBondContact O-N 3.16Å; L465-I523 HydrophobicContact CB-CD1 3.81Å; L465-I523 HydrophobicContact CB-CG2 4.36Å; L465-I525 HydrophobicContact CD2-CG2 3.75Å; L465-V528 HydrophobicContact CD2-CG1 4.19Å; L465-V528 HydrophobicContact CD2-CG2 4.42Å; L465-Y533 HydrophobicContact CD1-CG 4.3Å; L465-Y533 HydrophobicContact CD2-CD1 4.45Å; L465-Y533 HydrophobicContact CD2-CG 4.26Å; L465-Y533 HydrophobicContact CG-CD1 4.3Å; L465-Y533 HydrophobicContact CG-CG 4.18Å; L465-L535 HydrophobicContact CD1-CB 4.47Å; L465-I559 HydrophobicContact CD1-CG1 4.45Å
466	L	98.4	Very high	93	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.6	-177.3	-50.6	177	0	0	0	110	D464 A468 K472 K473 Y533 I534 K536	D464-L466 HydrophobicContact CB-CD2 3.77Å; D464-L466 HydrophobicContact CB-CG 4.17Å; L466-A468 PolarHBondContact O-N 2.98Å; L466-K472 CarbonylContact C-O 3.5Å; L466-K472 WeakPolarHBondContact CA-O 3.44Å; L466-K473 HydrophobicContact CD2-CB 4.01Å; L466-Y533 CarbonylContact O-C 3.59Å; L466-Y533 WeakPolarHBondContact O-CA 3.34Å; L466-Y533 WeakPolarHBondContact O-CB 3.48Å; L466-I534 HydrophobicContact CB-CB 4.37Å; L466-I534 PolarHBondContact N-O 3.44Å; L466-I534 PolarHBondContact O-N 3.25Å; L466-K536 HydrophobicContact CD1-CB 4.46Å
467	D	97.9	Very high	93.6	Very high	35 Å²	35	45.1 Å²	45.1	19%	0.187	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.7	167.9	169.8	-102.4	0	0	0	110.8	A469 T470 G471 K472 V474 Y533	D467-A469 VanDerWaalsContact C-N 3.31Å; D467-A469 PolarHBondContact O-N 3.45Å; D467-A469 PolarHBondContact OD1-N 3.11Å; D467-A469 VanDerWaalsContact OD1-N 3.16Å; D467-T470 WeakPolarHBondContact CB-OG1 3.4Å; D467-T470 WeakPolarHBondContact OD1-CB 3.28Å; D467-T470 WeakPolarHBondContact OD1-CG2 3.35Å; D467-T470 PolarHBondContact OD1-N 2.96Å; D467-T470 PolarHBondContact OD1-OG1 2.93Å; D467-G471 VanDerWaalsContact O-CA 3.23Å; D467-G471 WeakPolarHBondContact O-CA 3.39Å; D467-G471 PolarHBondContact O-N 3.23Å; D467-K472 PolarHBondContact N-O 2.81Å; D467-V474 HydrophobicContact CB-CG1 3.86Å; D467-Y533 HydrophobicContact CB-CD1 4.48Å; D467-Y533 HydrophobicContact CB-CE1 4.39Å
468	A	97.1	Very high	93.9	Very high	50 Å²	50	46.6 Å²	46.6	41%	0.413	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.3	-172.1	0	0	0	0	0	114.2	L466 N532 I534	L466-A468 PolarHBondContact O-N 2.98Å; A468-N532 HydrophobicContact CB-CB 3.99Å; A468-N532 WeakPolarHBondContact CB-O 3.28Å; A468-N532 PolarHBondContact N-O 2.8Å; A468-I534 HydrophobicContact CB-CD1 4.43Å; A468-I534 HydrophobicContact CB-CG1 4.28Å
469	A	96.9	Very high	94.2	Very high	94 Å²	94	42 Å²	42	78%	0.777	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-36.9	-179.8	0	0	0	0	0	112.8	D467	D467-A469 VanDerWaalsContact C-N 3.31Å; D467-A469 PolarHBondContact O-N 3.45Å; D467-A469 PolarHBondContact OD1-N 3.11Å; D467-A469 VanDerWaalsContact OD1-N 3.16Å
470	T	97	Very high	93.4	Very high	105 Å²	105	41.6 Å²	41.6	64%	0.644	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-18.1	-175.2	63.1	0	0	0	0	113.7	D467 K472	D467-T470 WeakPolarHBondContact CB-OG1 3.4Å; D467-T470 WeakPolarHBondContact OD1-CB 3.28Å; D467-T470 WeakPolarHBondContact OD1-CG2 3.35Å; D467-T470 PolarHBondContact OD1-N 2.96Å; D467-T470 PolarHBondContact OD1-OG1 2.93Å; T470-K472 PolarHBondContact O-N 2.94Å; T470-K472 PolarHBondContact OG1-N 2.8Å
471	G	95.8	Very high	92.2	Very high	45 Å²	45	41.6 Å²	41.6	46%	0.464	25%	0.247	S	C	.	.			trans	71.2	0.5	-172.8	0	0	0	0	0	114.7	D467	D467-G471 VanDerWaalsContact O-CA 3.23Å; D467-G471 WeakPolarHBondContact O-CA 3.39Å; D467-G471 PolarHBondContact O-N 3.23Å
472	K	97.1	Very high	90.8	Very high	151 Å²	151	42.9 Å²	42.9	66%	0.657	25%	0.253	S	S	*	.			trans	-71.7	140.2	-178.6	-170	-166	168.9	-172.2	0	110.8	L466 D467 T470 V474	L466-K472 CarbonylContact C-O 3.5Å; L466-K472 WeakPolarHBondContact CA-O 3.44Å; D467-K472 PolarHBondContact N-O 2.81Å; T470-K472 PolarHBondContact O-N 2.94Å; T470-K472 PolarHBondContact OG1-N 2.8Å; K472-V474 PolarHBondContact O-N 3.45Å
473	K	97.2	Very high	90.2	Very high	71 Å²	71	41.8 Å²	41.8	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.7	167.6	-173.5	144	82.4	169.9	0	111.1	H462 D464 L466 A475 E476	H462-K473 PolarHBondContact NE2-NZ 3.27Å; D464-K473 HydrophobicContact CB-CD 3.85Å; D464-K473 WeakPolarHBondContact OD1-CD 3.18Å; D464-K473 WeakPolarHBondContact OD1-CE 3.43Å; D464-K473 IonicContact OD1-NZ 3.13Å; D464-K473 PolarHBondContact OD1-NZ 3.28Å; L466-K473 HydrophobicContact CD2-CB 4.01Å; K473-A475 WeakPolarHBondContact CG-O 3.24Å; K473-E476 HydrophobicContact CD-CB 3.92Å; K473-E476 VanDerWaalsContact CE-OE2 3.22Å; K473-E476 WeakPolarHBondContact CE-OE2 3.49Å; K473-E476 IonicContact NZ-OE2 3.93Å; K473-E476 PolarHBondContact NZ-OE2 3.35Å
474	V	97.5	Very high	89.8	Confident	66 Å²	66	41.8 Å²	41.8	40%	0.4	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-27.2	177.1	-65.9	0	0	0	0	113.1	L465 D467 K472 V528 Y533	L465-V474 HydrophobicContact CB-CG2 4.28Å; L465-V474 HydrophobicContact CD2-CG2 4.15Å; L465-V474 HydrophobicContact CG-CG2 4.06Å; L465-V474 VanDerWaalsContact O-CG2 3.3Å; L465-V474 WeakPolarHBondContact O-CG2 3.27Å; L465-V474 PolarHBondContact O-N 2.86Å; D467-V474 HydrophobicContact CB-CG1 3.86Å; K472-V474 PolarHBondContact O-N 3.45Å; V474-V528 HydrophobicContact CG2-CG1 4.3Å; V474-Y533 HydrophobicContact CG1-CE1 4.42Å; V474-Y533 HydrophobicContact CG2-CD1 3.72Å; V474-Y533 HydrophobicContact CG2-CE1 3.71Å
475	A	97.1	Very high	89.5	Confident	14 Å²	14	43 Å²	43	12%	0.116	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.8	170.3	0	0	0	0	0	109.6	L465 K473 I523 V528	L465-A475 HydrophobicContact CB-CB 4.23Å; L465-A475 HydrophobicContact CD2-CB 4.49Å; L465-A475 PolarHBondContact N-O 3.42Å; L465-A475 PolarHBondContact O-N 3.16Å; K473-A475 WeakPolarHBondContact CG-O 3.24Å; A475-I523 HydrophobicContact CB-CG2 3.7Å; A475-V528 HydrophobicContact CB-CG2 3.64Å
476	E	95.4	Very high	89.4	Confident	111 Å²	111	42.9 Å²	42.9	52%	0.519	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.5	176.3	71.1	-165.7	144.3	0	0	111.3	H462 Y463 K473	H462-E476 IonicContact CE1-OE2 3.78Å; H462-E476 IonicContact NE2-OE2 2.73Å; Y463-E476 CarbonylContact O-C 3.59Å; Y463-E476 VanDerWaalsContact O-CA 3.31Å; Y463-E476 WeakPolarHBondContact O-CA 3.17Å; K473-E476 HydrophobicContact CD-CB 3.92Å; K473-E476 VanDerWaalsContact CE-OE2 3.22Å; K473-E476 WeakPolarHBondContact CE-OE2 3.49Å; K473-E476 IonicContact NZ-OE2 3.93Å; K473-E476 PolarHBondContact NZ-OE2 3.35Å
477	G	91.6	Very high	89.2	Confident	5 Å²	5	43.2 Å²	43.2	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	169.6	168.2	0	0	0	0	0	108.9	Y463	Y463-G477 WeakPolarHBondContact CA-O 3.5Å; Y463-G477 WeakPolarHBondContact CB-O 3.08Å; Y463-G477 PolarHBondContact N-O 2.88Å; Y463-G477 PolarHBondContact O-N 2.98Å
478	H	87.8	Confident	89.1	Confident	40 Å²	40	44.6 Å²	44.6	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.3	178.4	59.2	-73.9	0	0	0	109.3	E401 K402 E459 A480	E401-H478 PolarHBondContact O-NE2 2.95Å; K402-H478 PolarHBondContact O-CE1 3Å; E459-H478 HydrophobicContact CG-CB 4.44Å; H478-A480 PolarHBondContact CD2-N 3.02Å
479	K	82	Confident	89.1	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	97.1	158.2	-163.3	52.5	168.1	147.8	0	107.4	F460 S461 Y463 S481 F482 Y514 D519 C520	F460-K479 PolarHBondContact N-O 2.96Å; S461-K479 PolarHBondContact O-N 2.85Å; Y463-K479 HydrophobicContact CE2-CB 4.1Å; Y463-K479 WeakPolarHBondContact OH-CB 3.43Å; K479-S481 PolarHBondContact O-N 3.2Å; K479-F482 VanDerWaalsContact NZ-CD2 3.3Å; K479-Y514 HydrophobicContact CG-CD2 4.37Å; K479-Y514 HydrophobicContact CG-CE2 4.44Å; K479-D519 PolarHBondContact NZ-O 3.11Å; K479-C520 HydrophobicContact CD-CB 3.87Å
480	A	67.4	Low	89	Confident	14 Å²	14	42.1 Å²	42.1	12%	0.116	24%	0.237	C	C	.	.			trans	-49.4	137.2	155.5	0	0	0	0	0	106.8	D458 H478 F482	D458-A480 WeakPolarHBondContact O-CA 3.33Å; H478-A480 PolarHBondContact CD2-N 3.02Å; A480-F482 PolarHBondContact O-N 2.98Å
481	S	62.4	Low	88.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.			trans	-64.6	113.4	-164.5	81.5	0	0	0	0	109.3	H455 S456 M457 K479	H455-S481 VanDerWaalsContact CA-O 3.26Å; H455-S481 WeakPolarHBondContact CA-O 3.35Å; H455-S481 WeakPolarHBondContact CB-O 3.41Å; H455-S481 PolarHBondContact CD2-O 3.15Å; S456-S481 PolarHBondContact N-OG 2.88Å; M457-S481 PolarHBondContact N-OG 2.92Å; M457-S481 VanDerWaalsContact O-CB 3.26Å; M457-S481 WeakPolarHBondContact O-CB 3.29Å; M457-S481 PolarHBondContact O-N 2.81Å; M457-S481 PolarHBondContact O-OG 2.84Å; K479-S481 PolarHBondContact O-N 3.2Å
482	F	62.9	Low	88.7	Confident	28 Å²	28	47.7 Å²	47.7	12%	0.123	25%	0.254	C	S	.	.			trans	-60.8	179.8	162.2	-153.2	-114.7	0	0	0	108.8	H451 H453 K479 A480 L484 Y514 I518	H451-F482 HydrophobicContact CB-CE2 4.15Å; H451-F482 AromaticContact ND1-CE2 3.78Å; H453-F482 AromaticContact CE1-CD2 3.48Å; H453-F482 VanDerWaalsContact CE1-CD2 3.48Å; H453-F482 WeakPolarHBondContact CE1-CD2 3.25Å; H453-F482 AromaticContact CE1-CE2 3.34Å; H453-F482 WeakPolarHBondContact CE1-CE2 3.31Å; H453-F482 AromaticContact CE1-CG 3.93Å; H453-F482 AromaticContact CE1-CZ 3.62Å; H453-F482 AromaticContact NE2-CD2 3.53Å; H453-F482 AromaticContact NE2-CE2 3.89Å; H453-F482 AromaticContact NE2-CG 3.62Å; K479-F482 VanDerWaalsContact NZ-CD2 3.3Å; A480-F482 PolarHBondContact O-N 2.98Å; F482-L484 PolarHBondContact O-N 2.75Å; F482-L484 VanDerWaalsContact O-N 3.09Å; F482-Y514 HydrophobicContact CB-CD1 4.47Å; F482-Y514 HydrophobicContact CB-CE1 3.9Å; F482-Y514 AromaticContact CD1-CD1 3.97Å; F482-Y514 HydrophobicContact CD1-CD1 3.97Å; F482-Y514 AromaticContact CD1-CE1 3.73Å; F482-Y514 HydrophobicContact CD1-CE1 3.73Å; F482-Y514 HydrophobicContact CG-CE1 4.24Å; F482-I518 HydrophobicContact CD2-CG2 4.37Å; F482-I518 HydrophobicContact CE1-CG2 4.5Å; F482-I518 HydrophobicContact CE2-CG2 3.71Å; F482-I518 HydrophobicContact CZ-CG2 3.8Å
483	C	80.1	Confident	88.5	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.061	24%	0.239	C	C	.	.			trans	-36.4	117	156.9	171.2	0	0	0	0	112.4	H453 E485 C499 Y514	H453-C483 PolarHBondContact CD2-N 3.09Å; H453-C483 PolarHBondContact NE2-N 3.46Å; C483-E485 VanDerWaalsContact SG-CD 3.58Å; C483-E485 WeakPolarHBondContact SG-CG 3.38Å; C483-E485 PolarHBondContact SG-OE2 2.76Å; C483-C499 WeakPolarHBondContact CA-SG 3.5Å; C483-C499 HydrophobicContact CB-CB 3.69Å; C483-C499 WeakPolarHBondContact CB-SG 3.36Å; C483-C499 WeakPolarHBondContact SG-CB 3.27Å; C483-C499 CovalentContact SG-SG 2.01Å; C483-C499 PolarHBondContact SG-SG 3.12Å; C483-Y514 PolarHBondContact O-OH 3.2Å
484	L	88.3	Confident	88.2	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.257	C	S	.	.			trans	-87.9	107.9	165.5	-67.7	173.7	0	0	0	109.2	F436 P438 M457 F460 F482 Q504 G505 D512	F436-L484 HydrophobicContact CD1-CD1 4.36Å; F436-L484 HydrophobicContact CE1-CD1 4.08Å; P438-L484 HydrophobicContact CB-CD1 3.99Å; P438-L484 HydrophobicContact CG-CD1 4.26Å; M457-L484 HydrophobicContact SD-CD1 4.12Å; F460-L484 HydrophobicContact CD1-CD2 4.46Å; F460-L484 HydrophobicContact CD2-CD2 3.72Å; F460-L484 HydrophobicContact CE1-CD2 4.42Å; F460-L484 HydrophobicContact CE2-CD2 3.69Å; F460-L484 HydrophobicContact CG-CD2 4.11Å; F460-L484 HydrophobicContact CZ-CD2 4.05Å; F482-L484 PolarHBondContact O-N 2.75Å; F482-L484 VanDerWaalsContact O-N 3.09Å; L484-Q504 HydrophobicContact CB-CB 4.28Å; L484-Q504 VanDerWaalsContact N-OE1 3.08Å; L484-Q504 VanDerWaalsContact O-CA 3.3Å; L484-Q504 WeakPolarHBondContact O-CA 3.19Å; L484-G505 CarbonylContact C-O 3.6Å; L484-G505 PolarHBondContact O-N 2.86Å; L484-D512 VanDerWaalsContact CA-OD2 3.29Å; L484-D512 WeakPolarHBondContact CA-OD2 3.47Å
485	E	91.9	Very high	88.1	Confident	41 Å²	41	49 Å²	49	19%	0.192	26%	0.263	C	S	.	.			trans	-144.8	162.6	179.8	71.3	170.7	-142.7	0	0	116	C483 S487 A498 C499 D512	C483-E485 VanDerWaalsContact SG-CD 3.58Å; C483-E485 WeakPolarHBondContact SG-CG 3.38Å; C483-E485 PolarHBondContact SG-OE2 2.76Å; E485-S487 VanDerWaalsContact C-N 3.3Å; E485-S487 PolarHBondContact O-N 2.9Å; E485-A498 VanDerWaalsContact OE2-CA 3.32Å; E485-A498 WeakPolarHBondContact OE2-CA 3.5Å; E485-C499 PolarHBondContact OE2-N 2.93Å; E485-D512 PolarHBondContact N-OD2 3.2Å
486	D	95.4	Very high	87.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.275	C	S	.	.			trans	-77.5	74.9	177.3	-64.4	-48.4	0	0	0	110.4	T488 K495 R496 Y497 S507 C510	D486-T488 PolarHBondContact O-N 3.04Å; D486-K495 HydrophobicContact CB-CB 3.85Å; D486-K495 HydrophobicContact CB-CG 3.85Å; D486-K495 WeakPolarHBondContact O-CD 3.26Å; D486-K495 WeakPolarHBondContact O-CE 3.38Å; D486-K495 WeakPolarHBondContact O-CG 3.39Å; D486-K495 PolarHBondContact O-NZ 2.64Å; D486-R496 PolarHBondContact OD2-N 3.49Å; D486-Y497 PolarHBondContact N-O 3.25Å; D486-Y497 VanDerWaalsContact N-O 3.14Å; D486-Y497 WeakPolarHBondContact OD2-CD2 3.44Å; D486-Y497 PolarHBondContact OD2-N 2.9Å; D486-S507 WeakPolarHBondContact OD1-CB 3.26Å; D486-S507 PolarHBondContact OD1-N 3.15Å; D486-S507 PolarHBondContact OD1-OG 2.92Å; D486-S507 PolarHBondContact OD2-OG 2.95Å; D486-C510 HydrophobicContact CB-CB 4.13Å; D486-C510 VanDerWaalsContact OD1-CB 3.22Å; D486-C510 WeakPolarHBondContact OD1-CB 2.96Å
487	S	93.9	Very high	87.8	Confident	27 Å²	27	49.3 Å²	49.3	19%	0.189	26%	0.256	C	S	.	.	S	Bend	trans	-60.3	-40.8	-177.7	-43.7	0	0	0	0	112.8	E485 K495 Y511 D512 T513	E485-S487 VanDerWaalsContact C-N 3.3Å; E485-S487 PolarHBondContact O-N 2.9Å; S487-K495 VanDerWaalsContact C-NZ 3.31Å; S487-K495 WeakPolarHBondContact O-CE 3.31Å; S487-K495 PolarHBondContact O-NZ 3.22Å; S487-Y511 WeakPolarHBondContact CA-O 3.38Å; S487-Y511 VanDerWaalsContact CB-O 3.31Å; S487-Y511 WeakPolarHBondContact CB-O 3.11Å; S487-Y511 PolarHBondContact N-O 3.43Å; S487-D512 WeakPolarHBondContact OG-CA 3.46Å; S487-D512 PolarHBondContact OG-OD1 3.25Å; S487-T513 PolarHBondContact OG-N 3.39Å
488	T	95.5	Very high	87.8	Confident	63 Å²	63	50.4 Å²	50.4	39%	0.387	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.9	169.1	55.1	0	0	0	0	110.7	D486 C510 Y511	D486-T488 PolarHBondContact O-N 3.04Å; T488-C510 CarbonylContact O-C 3.59Å; T488-C510 WeakPolarHBondContact O-CA 3.39Å; T488-C510 WeakPolarHBondContact O-CB 2.94Å; T488-Y511 PolarHBondContact N-O 3.16Å; T488-Y511 PolarHBondContact O-N 2.01Å
489	C	97.1	Very high	87.7	Confident	37 Å²	37	49 Å²	49	25%	0.25	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154	175.9	-55.8	0	0	0	0	112.3	N493 C510	C489-N493 HydrophobicContact CB-CB 4.07Å; C489-C510 HydrophobicContact CB-CB 4.01Å; C489-C510 WeakPolarHBondContact CB-SG 3.28Å; C489-C510 WeakPolarHBondContact SG-CB 3.32Å; C489-C510 CovalentContact SG-SG 2.04Å; C489-C510 PolarHBondContact SG-SG 2.89Å
490	D	96.1	Very high	87.8	Confident	56 Å²	56	54.9 Å²	54.9	30%	0.299	30%	0.296	S	S	.	.			trans	-60.1	153.1	168	-73.7	-22.9	0	0	0	111	K429 G492 N493 G509 Y511	K429-D490 VanDerWaalsContact CE-OD2 3.24Å; K429-D490 WeakPolarHBondContact CE-OD2 3.22Å; K429-D490 IonicContact NZ-OD1 3.55Å; K429-D490 IonicContact NZ-OD2 2.77Å; K429-D490 PolarHBondContact NZ-OD2 2.99Å; D490-G492 PolarHBondContact O-N 3.19Å; D490-N493 PolarHBondContact O-N 2.59Å; D490-G509 PolarHBondContact N-O 3.46Å; D490-Y511 VanDerWaalsContact OD1-CE2 3.25Å; D490-Y511 WeakPolarHBondContact OD1-CE2 3.22Å; D490-Y511 PolarHBondContact OD1-OH 3.23Å
491	F	94.3	Very high	88.6	Confident	217 Å²	217	58 Å²	58	95%	0.952	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	122.8	-179.3	-179.5	-91.2	0	0	0	112.1
492	G	92.4	Very high	89.5	Confident	50 Å²	50	62.4 Å²	62.4	52%	0.515	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	-13.7	-179.2	0	0	0	0	0	114.7	D490	D490-G492 PolarHBondContact O-N 3.19Å
493	N	92.8	Very high	90.6	Very high	66 Å²	66	64 Å²	64	35%	0.353	35%	0.349	S	S	.	.			trans	-89.7	153.4	171.3	-65.3	-47.5	0	0	0	111.2	C489 D490	C489-N493 HydrophobicContact CB-CB 4.07Å; D490-N493 PolarHBondContact O-N 2.59Å
494	L	90.8	Very high	91.1	Very high	129 Å²	129	64.1 Å²	64.1	68%	0.675	35%	0.349	S	S	*	.			trans	-120.1	135.8	-176.6	-65.3	176.7	0	0	0	110.8
495	K	94.3	Very high	91.3	Very high	120 Å²	120	64 Å²	64	52%	0.522	35%	0.348	S	S	.	.			trans	-60.1	140	169	-59.2	-174.1	169.2	-137.5	0	110.8	D486 S487	D486-K495 HydrophobicContact CB-CB 3.85Å; D486-K495 HydrophobicContact CB-CG 3.85Å; D486-K495 WeakPolarHBondContact O-CD 3.26Å; D486-K495 WeakPolarHBondContact O-CE 3.38Å; D486-K495 WeakPolarHBondContact O-CG 3.39Å; D486-K495 PolarHBondContact O-NZ 2.64Å; S487-K495 VanDerWaalsContact C-NZ 3.31Å; S487-K495 WeakPolarHBondContact O-CE 3.31Å; S487-K495 PolarHBondContact O-NZ 3.22Å
496	R	94.2	Very high	91.4	Very high	98 Å²	98	62.2 Å²	62.2	37%	0.37	34%	0.34	S	S	.	.			trans	-133.7	-30.5	175.2	-67.2	178.3	-65.4	153.4	1.3	112.9	D435 D486 S507	D435-R496 VanDerWaalsContact CG-NH1 3.32Å; D435-R496 IonicContact OD1-CZ 3.48Å; D435-R496 IonicContact OD1-NH1 3.55Å; D435-R496 PolarHBondContact OD1-NH1 2.88Å; D435-R496 IonicContact OD1-NH2 2.8Å; D435-R496 PolarHBondContact OD1-NH2 2.89Å; D435-R496 IonicContact OD2-CZ 2.81Å; D435-R496 IonicContact OD2-NH1 3.23Å; D435-R496 PolarHBondContact OD2-NH1 3.31Å; D435-R496 IonicContact OD2-NH2 3.4Å; D486-R496 PolarHBondContact OD2-N 3.49Å; R496-S507 PolarHBondContact NE-OG 2.92Å; R496-S507 VanDerWaalsContact NE-OG 3.07Å; R496-S507 PolarHBondContact NH2-OG 2.79Å
497	Y	93.3	Very high	91.4	Very high	33 Å²	33	62.2 Å²	62.2	13%	0.129	34%	0.34	C	S	.	.			trans	-100.7	133.7	179	-55.5	-73.7	0	0	0	110.7	D435 L437 D486 Q504 G505	D435-Y497 HydrophobicContact CB-CE2 4.39Å; D435-Y497 PolarHBondContact OD2-OH 2.94Å; D435-Y497 VanDerWaalsContact OD2-OH 3.12Å; L437-Y497 HydrophobicContact CD2-CE1 4.03Å; D486-Y497 PolarHBondContact N-O 3.25Å; D486-Y497 VanDerWaalsContact N-O 3.14Å; D486-Y497 WeakPolarHBondContact OD2-CD2 3.44Å; D486-Y497 PolarHBondContact OD2-N 2.9Å; Y497-Q504 VanDerWaalsContact CD1-O 3.29Å; Y497-Q504 WeakPolarHBondContact CD1-O 3.35Å; Y497-G505 WeakPolarHBondContact CB-O 3.31Å; Y497-G505 VanDerWaalsContact CD2-C 3.42Å; Y497-G505 WeakPolarHBondContact CD2-O 3.15Å; Y497-G505 VanDerWaalsContact CG-O 3.31Å
498	A	90.6	Very high	91.5	Very high	28 Å²	28	61.9 Å²	61.9	23%	0.231	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-158.7	122.2	177.5	0	0	0	0	0	108.8	E485 T500 S501 H502 T503	E485-A498 VanDerWaalsContact OE2-CA 3.32Å; E485-A498 WeakPolarHBondContact OE2-CA 3.5Å; A498-T500 PolarHBondContact O-N 3.34Å; A498-S501 CarbonylContact O-C 3.54Å; A498-S501 WeakPolarHBondContact O-CA 3.41Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 2.87Å; A498-H502 PolarHBondContact O-N 2.94Å; A498-T503 CarbonylContact C-O 3.52Å; A498-T503 PolarHBondContact N-OG1 3.41Å
499	C	85.5	Confident	91.6	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.081	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-72.6	-21.9	-171.5	-55.3	0	0	0	0	113	H453 C483 E485 S501 H502	H453-C499 HydrophobicContact CB-CB 4.49Å; C483-C499 WeakPolarHBondContact CA-SG 3.5Å; C483-C499 HydrophobicContact CB-CB 3.69Å; C483-C499 WeakPolarHBondContact CB-SG 3.36Å; C483-C499 WeakPolarHBondContact SG-CB 3.27Å; C483-C499 CovalentContact SG-SG 2.01Å; C483-C499 PolarHBondContact SG-SG 3.12Å; E485-C499 PolarHBondContact OE2-N 2.93Å; C499-S501 PolarHBondContact O-N 2.78Å; C499-H502 WeakPolarHBondContact O-CA 3.26Å; C499-H502 PolarHBondContact O-N 2.89Å
500	T	84.8	Confident	91.6	Very high	123 Å²	123	57.6 Å²	57.6	76%	0.755	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56.8	-27.1	165.4	54.4	0	0	0	0	112.8	A498	A498-T500 PolarHBondContact O-N 3.34Å
501	S	84	Confident	91.6	Very high	79 Å²	79	56.7 Å²	56.7	55%	0.552	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-96.6	6.6	174	-57.3	0	0	0	0	113.1	A498 C499 T503	A498-S501 CarbonylContact O-C 3.54Å; A498-S501 WeakPolarHBondContact O-CA 3.41Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 2.87Å; C499-S501 PolarHBondContact O-N 2.78Å; S501-T503 PolarHBondContact O-N 3.23Å
502	H	81.1	Confident	91.6	Very high	92 Å²	92	46.5 Å²	46.5	43%	0.426	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	26.5	-178.3	-52	71.8	0	0	0	115.1	R442 A498 C499	R442-H502 PolarHBondContact NE-O 3.11Å; R442-H502 VanDerWaalsContact NH2-CB 3.31Å; R442-H502 PolarHBondContact NH2-O 3.12Å; A498-H502 PolarHBondContact O-N 2.94Å; C499-H502 WeakPolarHBondContact O-CA 3.26Å; C499-H502 PolarHBondContact O-N 2.89Å
503	T	86.6	Confident	91.6	Very high	61 Å²	61	45.3 Å²	45.3	37%	0.374	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-109.2	144.1	168.2	57.7	0	0	0	0	109.1	A498 S501	A498-T503 CarbonylContact C-O 3.52Å; A498-T503 PolarHBondContact N-OG1 3.41Å; S501-T503 PolarHBondContact O-N 3.23Å
504	Q	89.9	Confident	91.5	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.056	23%	0.226	C	C	.	.			trans	-137.8	147.3	-178.5	-69.6	-159.9	45.7	0	0	112.1	P438 W445 Y454 S456 L484 Y497	P438-Q504 HydrophobicContact CG-CB 4.2Å; W445-Q504 HydrophobicContact CH2-CB 3.72Å; W445-Q504 HydrophobicContact CH2-CG 3.9Å; W445-Q504 HydrophobicContact CZ2-CB 4.3Å; W445-Q504 HydrophobicContact CZ3-CB 4.24Å; W445-Q504 HydrophobicContact CZ3-CG 3.88Å; Y454-Q504 PolarHBondContact O-NE2 2.68Å; S456-Q504 PolarHBondContact OG-OE1 2.78Å; L484-Q504 HydrophobicContact CB-CB 4.28Å; L484-Q504 VanDerWaalsContact N-OE1 3.08Å; L484-Q504 VanDerWaalsContact O-CA 3.3Å; L484-Q504 WeakPolarHBondContact O-CA 3.19Å; Y497-Q504 VanDerWaalsContact CD1-O 3.29Å; Y497-Q504 WeakPolarHBondContact CD1-O 3.35Å
505	G	92.3	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.			trans	146.7	175.2	-178.1	0	0	0	0	0	111.2	F436 L484 Y497	F436-G505 CarbonylContact O-C 3.55Å; F436-G505 WeakPolarHBondContact O-CA 3.31Å; L484-G505 CarbonylContact C-O 3.6Å; L484-G505 PolarHBondContact O-N 2.86Å; Y497-G505 WeakPolarHBondContact CB-O 3.31Å; Y497-G505 VanDerWaalsContact CD2-C 3.42Å; Y497-G505 WeakPolarHBondContact CD2-O 3.15Å; Y497-G505 VanDerWaalsContact CG-O 3.31Å
506	L	94.4	Very high	91.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-130.6	120.8	176.4	-176.2	60.4	0	0	0	110.7	L374 N430 F436 C510 D512	L374-L506 HydrophobicContact CD2-CD2 3.95Å; N430-L506 HydrophobicContact CB-CB 4.42Å; N430-L506 HydrophobicContact CB-CD2 3.87Å; N430-L506 HydrophobicContact CB-CG 3.75Å; N430-L506 PolarHBondContact ND2-O 3.44Å; F436-L506 HydrophobicContact CB-CB 4.23Å; F436-L506 PolarHBondContact N-O 2.85Å; F436-L506 PolarHBondContact O-N 3.26Å; L506-C510 HydrophobicContact CD1-CB 4.08Å; L506-D512 HydrophobicContact CD1-CB 4.19Å; L506-D512 HydrophobicContact CD2-CB 4.2Å
507	S	96.2	Very high	91.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	19%	0.194	C	C	.	.			trans	-73.7	147.6	-175.7	-65.8	0	0	0	0	112.9	D486 R496 G509 C510	D486-S507 WeakPolarHBondContact OD1-CB 3.26Å; D486-S507 PolarHBondContact OD1-N 3.15Å; D486-S507 PolarHBondContact OD1-OG 2.92Å; D486-S507 PolarHBondContact OD2-OG 2.95Å; R496-S507 PolarHBondContact NE-OG 2.92Å; R496-S507 VanDerWaalsContact NE-OG 3.07Å; R496-S507 PolarHBondContact NH2-OG 2.79Å; S507-G509 PolarHBondContact O-N 3.31Å; S507-C510 WeakPolarHBondContact O-CB 3.4Å; S507-C510 PolarHBondContact O-N 3.14Å
508	P	96.4	Very high	91.1	Very high	20 Å²	20	32.7 Å²	32.7	13%	0.13	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	128.2	166.5	-30.9	38.3	0	0	0	112.5	D435 C510	D435-P508 WeakPolarHBondContact OD1-CD 3.35Å; P508-C510 VanDerWaalsContact C-N 3.25Å; P508-C510 PolarHBondContact O-N 3.12Å
509	G	96.4	Very high	91.1	Very high	9 Å²	9	32.7 Å²	32.7	9%	0.093	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	12.8	-176.8	0	0	0	0	0	115	N430 D490 S507	N430-G509 PolarHBondContact O-N 3Å; D490-G509 PolarHBondContact N-O 3.46Å; S507-G509 PolarHBondContact O-N 3.31Å
510	C	97.9	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	164.6	171.4	-62.3	0	0	0	0	112.4	K429 N430 D486 T488 C489 L506 S507 P508	K429-C510 WeakPolarHBondContact CA-O 3.46Å; N430-C510 PolarHBondContact N-O 3.12Å; D486-C510 HydrophobicContact CB-CB 4.13Å; D486-C510 VanDerWaalsContact OD1-CB 3.22Å; D486-C510 WeakPolarHBondContact OD1-CB 2.96Å; T488-C510 CarbonylContact O-C 3.59Å; T488-C510 WeakPolarHBondContact O-CA 3.39Å; T488-C510 WeakPolarHBondContact O-CB 2.94Å; C489-C510 HydrophobicContact CB-CB 4.01Å; C489-C510 WeakPolarHBondContact CB-SG 3.28Å; C489-C510 WeakPolarHBondContact SG-CB 3.32Å; C489-C510 CovalentContact SG-SG 2.04Å; C489-C510 PolarHBondContact SG-SG 2.89Å; L506-C510 HydrophobicContact CD1-CB 4.08Å; S507-C510 WeakPolarHBondContact O-CB 3.4Å; S507-C510 PolarHBondContact O-N 3.14Å; P508-C510 VanDerWaalsContact C-N 3.25Å; P508-C510 PolarHBondContact O-N 3.12Å
511	Y	96.5	Very high	91.8	Very high	38 Å²	38	26.3 Å²	26.3	15%	0.149	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.6	-176.6	-50.7	-107.2	0	0	0	110.4	R427 V428 K429 S487 T488 D490	R427-Y511 HydrophobicContact CG-CD1 4.05Å; R427-Y511 HydrophobicContact CG-CG 4.47Å; V428-Y511 CarbonylContact O-C 3.59Å; V428-Y511 WeakPolarHBondContact O-CA 3.23Å; K429-Y511 HydrophobicContact CB-CD1 3.53Å; K429-Y511 HydrophobicContact CB-CE1 3.58Å; K429-Y511 HydrophobicContact CB-CG 4.36Å; K429-Y511 HydrophobicContact CD-CD1 4.32Å; K429-Y511 HydrophobicContact CD-CE1 3.55Å; K429-Y511 WeakPolarHBondContact CE-OH 3.5Å; K429-Y511 HydrophobicContact CG-CD1 3.79Å; K429-Y511 HydrophobicContact CG-CE1 3.54Å; K429-Y511 HydrophobicContact CG-CE2 4.46Å; K429-Y511 HydrophobicContact CG-CG 4.36Å; K429-Y511 PolarHBondContact NZ-OH 3.21Å; S487-Y511 WeakPolarHBondContact CA-O 3.38Å; S487-Y511 VanDerWaalsContact CB-O 3.31Å; S487-Y511 WeakPolarHBondContact CB-O 3.11Å; S487-Y511 PolarHBondContact N-O 3.43Å; T488-Y511 PolarHBondContact N-O 3.16Å; T488-Y511 PolarHBondContact O-N 2.01Å; D490-Y511 VanDerWaalsContact OD1-CE2 3.25Å; D490-Y511 WeakPolarHBondContact OD1-CE2 3.22Å; D490-Y511 PolarHBondContact OD1-OH 3.23Å
512	D	94.1	Very high	92.4	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.1	161.1	-156	-29.7	0	0	0	108.8	R427 V428 L484 E485 S487 L506 Y514	R427-D512 WeakPolarHBondContact CA-O 3.4Å; V428-D512 PolarHBondContact N-O 2.89Å; V428-D512 PolarHBondContact O-N 2.93Å; L484-D512 VanDerWaalsContact CA-OD2 3.29Å; L484-D512 WeakPolarHBondContact CA-OD2 3.47Å; E485-D512 PolarHBondContact N-OD2 3.2Å; S487-D512 WeakPolarHBondContact OG-CA 3.46Å; S487-D512 PolarHBondContact OG-OD1 3.25Å; L506-D512 HydrophobicContact CD1-CB 4.19Å; L506-D512 HydrophobicContact CD2-CB 4.2Å; D512-Y514 WeakPolarHBondContact OD1-CE1 3.29Å; D512-Y514 PolarHBondContact OD2-OH 3.43Å
513	T	92.5	Very high	93.2	Very high	24 Å²	24	18.2 Å²	18.2	15%	0.147	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	101.9	-170.2	-55	0	0	0	0	112.1	Y380 Q426 R427 S487	Y380-T513 HydrophobicContact CD1-CG2 4.47Å; Y380-T513 HydrophobicContact CE1-CG2 3.62Å; Q426-T513 CarbonylContact O-C 3.57Å; Q426-T513 WeakPolarHBondContact O-CA 3.49Å; R427-T513 HydrophobicContact CB-CG2 4.29Å; R427-T513 WeakPolarHBondContact CD-OG1 3.4Å; R427-T513 HydrophobicContact CG-CG2 4.48Å; R427-T513 WeakPolarHBondContact CG-OG1 3.49Å; S487-T513 PolarHBondContact OG-N 3.39Å
514	Y	90.1	Very high	93.7	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.2	172.6	-51	-40.3	0	0	0	110.2	P425 Q426 F460 K479 F482 C483 D512 Q521	P425-Y514 CarbonylContact C-O 3.47Å; P425-Y514 VanDerWaalsContact CA-O 3.29Å; P425-Y514 WeakPolarHBondContact CA-O 3.17Å; P425-Y514 WeakPolarHBondContact CB-O 3.06Å; Q426-Y514 PolarHBondContact N-O 2.69Å; Q426-Y514 PolarHBondContact O-N 3.29Å; F460-Y514 AromaticContact CD1-CE2 3.9Å; F460-Y514 HydrophobicContact CD1-CE2 3.9Å; F460-Y514 HydrophobicContact CE1-CE2 4.03Å; K479-Y514 HydrophobicContact CG-CD2 4.37Å; K479-Y514 HydrophobicContact CG-CE2 4.44Å; F482-Y514 HydrophobicContact CB-CD1 4.47Å; F482-Y514 HydrophobicContact CB-CE1 3.9Å; F482-Y514 AromaticContact CD1-CD1 3.97Å; F482-Y514 HydrophobicContact CD1-CD1 3.97Å; F482-Y514 AromaticContact CD1-CE1 3.73Å; F482-Y514 HydrophobicContact CD1-CE1 3.73Å; F482-Y514 HydrophobicContact CG-CE1 4.24Å; C483-Y514 PolarHBondContact O-OH 3.2Å; D512-Y514 WeakPolarHBondContact OD1-CE1 3.29Å; D512-Y514 PolarHBondContact OD2-OH 3.43Å; Y514-Q521 VanDerWaalsContact CB-OE1 3.28Å
515	N	92	Very high	94.1	Very high	70 Å²	70	15 Å²	15	37%	0.374	8%	0.082	S	C	.	.			trans	-75.9	150.2	176.7	-64	-38.7	0	0	0	111.1	D517 I518 Q521	N515-D517 WeakPolarHBondContact CB-OD1 3.35Å; N515-D517 PolarHBondContact O-N 3.06Å; N515-I518 HydrophobicContact CB-CD1 4.42Å; N515-I518 WeakPolarHBondContact O-CB 3.18Å; N515-I518 WeakPolarHBondContact O-CG1 3.44Å; N515-I518 PolarHBondContact O-N 2.04Å; N515-I518 VanDerWaalsContact O-N 3.11Å; N515-Q521 WeakPolarHBondContact O-CG 3.42Å
516	A	93.1	Very high	94.4	Very high	7 Å²	7	17 Å²	17	6%	0.058	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	-172.2	0	0	0	0	0	115	Y386 R423 P425	Y386-A516 HydrophobicContact CD1-CB 4.48Å; Y386-A516 HydrophobicContact CE1-CB 3.66Å; R423-A516 HydrophobicContact CB-CB 4.44Å; R423-A516 WeakPolarHBondContact CB-O 3.49Å; R423-A516 WeakPolarHBondContact CD-O 3.45Å; R423-A516 WeakPolarHBondContact CG-O 3.45Å; R423-A516 PolarHBondContact NH1-O 2.85Å; P425-A516 HydrophobicContact CB-CB 4.26Å
517	D	90.1	Very high	94.4	Very high	86 Å²	86	21 Å²	21	46%	0.46	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-17.8	178.6	59.1	-54.9	0	0	0	114.3	R423 N515	R423-D517 PolarHBondContact NH1-O 3.21Å; R423-D517 PolarHBondContact NH2-O 2.91Å; N515-D517 WeakPolarHBondContact CB-OD1 3.35Å; N515-D517 PolarHBondContact O-N 3.06Å
518	I	88.7	Confident	94.5	Very high	15 Å²	15	21.6 Å²	21.6	8%	0.077	12%	0.119	C	C	.	.	S	Bend	trans	-65.6	152.5	-179.6	-58.7	176.8	0	0	0	111	R423 F482 N515 Q521	R423-I518 PolarHBondContact NH1-O 3.3Å; F482-I518 HydrophobicContact CD2-CG2 4.37Å; F482-I518 HydrophobicContact CE1-CG2 4.5Å; F482-I518 HydrophobicContact CE2-CG2 3.71Å; F482-I518 HydrophobicContact CZ-CG2 3.8Å; N515-I518 HydrophobicContact CB-CD1 4.42Å; N515-I518 WeakPolarHBondContact O-CB 3.18Å; N515-I518 WeakPolarHBondContact O-CG1 3.44Å; N515-I518 PolarHBondContact O-N 2.04Å; N515-I518 VanDerWaalsContact O-N 3.11Å; I518-Q521 HydrophobicContact CB-CB 4.3Å; I518-Q521 VanDerWaalsContact O-CB 3.27Å; I518-Q521 WeakPolarHBondContact O-CB 3.43Å; I518-Q521 PolarHBondContact O-N 2.9Å
519	D	90.4	Very high	94.5	Very high	28 Å²	28	27.3 Å²	27.3	15%	0.15	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	147.5	174.3	-81.8	-23.8	0	0	0	112.8	A398 H451 K479 Q521 W522	A398-D519 HydrophobicContact CB-CB 4.22Å; H451-D519 IonicContact CD2-OD2 3.23Å; H451-D519 VanDerWaalsContact CE1-CB 3.48Å; H451-D519 WeakPolarHBondContact CE1-CB 3.3Å; H451-D519 IonicContact CE1-OD2 3.8Å; H451-D519 WeakPolarHBondContact NE2-CB 3.29Å; H451-D519 IonicContact NE2-OD2 2.63Å; H451-D519 PolarHBondContact NE2-OD2 2.77Å; K479-D519 PolarHBondContact NZ-O 3.11Å; D519-Q521 PolarHBondContact O-N 2.77Å; D519-W522 HydrophobicContact CB-CH2 4.39Å
520	C	91	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	6.3	-173.9	-54.6	0	0	0	0	115.4	E401 C403 K479 W522	E401-C520 PolarHBondContact OE2-SG 3.4Å; C403-C520 HydrophobicContact CB-CB 3.65Å; C403-C520 WeakPolarHBondContact CB-SG 3.3Å; C403-C520 WeakPolarHBondContact SG-CB 3.1Å; C403-C520 CovalentContact SG-SG 2.03Å; C403-C520 PolarHBondContact SG-SG 3.05Å; K479-C520 HydrophobicContact CD-CB 3.87Å; C520-W522 VanDerWaalsContact N-CZ3 3.27Å; C520-W522 PolarHBondContact O-N 2.92Å
521	Q	94.3	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.			trans	-86.1	49	-179.3	-161.5	46.2	64.5	0	0	111.6	F424 Y463 Y514 N515 I518 D519	F424-Q521 PolarHBondContact N-O 2.94Å; F424-Q521 WeakPolarHBondContact O-CG 3.32Å; F424-Q521 PolarHBondContact O-NE2 3.09Å; Y463-Q521 PolarHBondContact OH-NE2 3.07Å; Y463-Q521 PolarHBondContact OH-OE1 2.81Å; Y514-Q521 VanDerWaalsContact CB-OE1 3.28Å; N515-Q521 WeakPolarHBondContact O-CG 3.42Å; I518-Q521 HydrophobicContact CB-CB 4.3Å; I518-Q521 VanDerWaalsContact O-CB 3.27Å; I518-Q521 WeakPolarHBondContact O-CB 3.43Å; I518-Q521 PolarHBondContact O-N 2.9Å; D519-Q521 PolarHBondContact O-N 2.77Å
522	W	96.3	Very high	94.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	172.9	-173	61.1	71.1	0	0	0	114	L395 A398 C403 L404 L421 L422 R423 D519 C520	L395-W522 HydrophobicContact CD2-CH2 4Å; L395-W522 HydrophobicContact CD2-CZ2 4.28Å; A398-W522 HydrophobicContact CB-CH2 3.45Å; A398-W522 VanDerWaalsContact CB-CH2 3.45Å; A398-W522 HydrophobicContact CB-CZ2 3.38Å; C403-W522 PolarHBondContact O-NE1 3.44Å; L404-W522 HydrophobicContact CD2-CZ2 4.06Å; L421-W522 HydrophobicContact CB-CB 4.27Å; L421-W522 HydrophobicContact CB-CD2 4.5Å; L421-W522 HydrophobicContact CB-CG 4.19Å; L421-W522 HydrophobicContact CD1-CD2 4.01Å; L421-W522 HydrophobicContact CD1-CE3 4.21Å; L421-W522 HydrophobicContact CD1-CH2 4.31Å; L421-W522 HydrophobicContact CD1-CZ2 4.15Å; L421-W522 HydrophobicContact CD1-CZ3 4.34Å; L421-W522 HydrophobicContact CD2-CD2 4.46Å; L421-W522 HydrophobicContact CD2-CG 4.34Å; L422-W522 CarbonylContact O-C 3.56Å; L422-W522 WeakPolarHBondContact O-CA 3.42Å; L422-W522 VanDerWaalsContact O-CB 3.3Å; L422-W522 WeakPolarHBondContact O-CB 3.33Å; R423-W522 HydrophobicContact CG-CB 3.86Å; R423-W522 HydrophobicContact CG-CE3 4.31Å; R423-W522 VanDerWaalsContact CZ-CE3 3.44Å; R423-W522 VanDerWaalsContact CZ-CZ3 3.43Å; R423-W522 VanDerWaalsContact NH1-CE3 3.34Å; D519-W522 HydrophobicContact CB-CH2 4.39Å; C520-W522 VanDerWaalsContact N-CZ3 3.27Å; C520-W522 PolarHBondContact O-N 2.92Å
523	I	98	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.4	153.2	-63.9	177	0	0	0	108	L422 F424 L465 A475 I525 L535	L422-I523 PolarHBondContact N-O 2.74Å; L422-I523 PolarHBondContact O-N 2.71Å; F424-I523 HydrophobicContact CE1-CG1 4.28Å; L465-I523 HydrophobicContact CB-CD1 3.81Å; L465-I523 HydrophobicContact CB-CG2 4.36Å; A475-I523 HydrophobicContact CB-CG2 3.7Å; I523-I525 HydrophobicContact CB-CG2 4.36Å; I523-I525 HydrophobicContact CG2-CG2 3.9Å; I523-I525 PolarHBondContact O-N 2.85Å; I523-L535 HydrophobicContact CD1-CD1 3.62Å
524	D	97.9	Very high	95.2	Very high	3 Å²	3	35 Å²	35	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.6	169.3	-176.7	-10	0	0	0	109	A405 R419 L421 T526	A405-D524 HydrophobicContact CB-CB 4.05Å; A405-D524 PolarHBondContact N-OD2 2.71Å; R419-D524 IonicContact CZ-OD2 3.33Å; R419-D524 VanDerWaalsContact CZ-OD2 3.26Å; R419-D524 IonicContact NE-OD1 3.71Å; R419-D524 IonicContact NE-OD2 3.94Å; R419-D524 PolarHBondContact NE-OD2 3.45Å; R419-D524 IonicContact NH2-OD1 2.66Å; R419-D524 PolarHBondContact NH2-OD1 3.12Å; R419-D524 IonicContact NH2-OD2 2.77Å; R419-D524 PolarHBondContact NH2-OD2 3.31Å; L421-D524 HydrophobicContact CD2-CB 4.18Å; D524-T526 VanDerWaalsContact OD1-CB 3.26Å; D524-T526 WeakPolarHBondContact OD1-CB 3.03Å; D524-T526 PolarHBondContact OD1-N 3.46Å; D524-T526 PolarHBondContact OD1-OG1 2.71Å
525	I	98.1	Very high	95.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.192	C	C	.	.			trans	-113.4	20.2	-176.3	63.6	160	0	0	0	112.1	V387 V420 L422 L465 I523 D527 V528 Y561	V387-I525 HydrophobicContact CG2-CD1 4.25Å; V420-I525 HydrophobicContact CB-CG1 4.21Å; V420-I525 HydrophobicContact CG1-CD1 4.15Å; V420-I525 HydrophobicContact CG1-CG1 3.93Å; V420-I525 VanDerWaalsContact O-CG1 3.24Å; V420-I525 WeakPolarHBondContact O-CG1 3.47Å; V420-I525 PolarHBondContact O-N 3.01Å; L422-I525 HydrophobicContact CB-CD1 4.04Å; L422-I525 HydrophobicContact CB-CG1 4.15Å; L422-I525 HydrophobicContact CB-CG2 3.76Å; L422-I525 HydrophobicContact CD2-CG2 4.32Å; L465-I525 HydrophobicContact CD2-CG2 3.75Å; I523-I525 HydrophobicContact CB-CG2 4.36Å; I523-I525 HydrophobicContact CG2-CG2 3.9Å; I523-I525 PolarHBondContact O-N 2.85Å; I525-D527 PolarHBondContact O-N 2.84Å; I525-V528 HydrophobicContact CB-CB 4.05Å; I525-V528 HydrophobicContact CB-CG2 4.06Å; I525-V528 HydrophobicContact CG2-CG2 4.31Å; I525-V528 PolarHBondContact O-N 3.38Å; I525-V528 VanDerWaalsContact O-N 3.08Å; I525-Y561 HydrophobicContact CD1-CD1 4.28Å; I525-Y561 HydrophobicContact CD1-CD2 4.08Å; I525-Y561 HydrophobicContact CD1-CE1 3.94Å; I525-Y561 HydrophobicContact CD1-CE2 3.73Å; I525-Y561 HydrophobicContact CD1-CG 4.35Å
526	T	97.4	Very high	95.9	Very high	42 Å²	42	33.8 Å²	33.8	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.8	-179.9	-54.8	0	0	0	0	112.3	R419 V420 D524	R419-T526 VanDerWaalsContact CA-OG1 3.3Å; R419-T526 WeakPolarHBondContact CA-OG1 3.4Å; R419-T526 PolarHBondContact NE-OG1 3.04Å; V420-T526 PolarHBondContact N-OG1 3.28Å; V420-T526 PolarHBondContact O-N 3.26Å; D524-T526 VanDerWaalsContact OD1-CB 3.26Å; D524-T526 WeakPolarHBondContact OD1-CB 3.03Å; D524-T526 PolarHBondContact OD1-N 3.46Å; D524-T526 PolarHBondContact OD1-OG1 2.71Å
527	D	95.6	Very high	96.1	Very high	87 Å²	87	33.5 Å²	33.5	47%	0.465	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.5	-177.7	-52.9	-54.8	0	0	0	113.1	T407 R419 I525	T407-D527 WeakPolarHBondContact CG2-OD2 3.19Å; T407-D527 PolarHBondContact OG1-OD1 2.85Å; T407-D527 PolarHBondContact OG1-OD2 3.22Å; R419-D527 IonicContact NH2-OD2 3.09Å; I525-D527 PolarHBondContact O-N 2.84Å
528	V	97.6	Very high	96.4	Very high	13 Å²	13	30 Å²	30	8%	0.079	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-95.8	129.8	-177	-175	0	0	0	0	110.4	L465 V474 A475 I525 Y533	L465-V528 HydrophobicContact CD2-CG1 4.19Å; L465-V528 HydrophobicContact CD2-CG2 4.42Å; V474-V528 HydrophobicContact CG2-CG1 4.3Å; A475-V528 HydrophobicContact CB-CG2 3.64Å; I525-V528 HydrophobicContact CB-CB 4.05Å; I525-V528 HydrophobicContact CB-CG2 4.06Å; I525-V528 HydrophobicContact CG2-CG2 4.31Å; I525-V528 PolarHBondContact O-N 3.38Å; I525-V528 VanDerWaalsContact O-N 3.08Å; V528-Y533 HydrophobicContact CG1-CE1 4.08Å; V528-Y533 HydrophobicContact CG1-CE2 3.97Å
529	Q	97.4	Very high	96.6	Very high	140 Å²	140	29.3 Å²	29.3	65%	0.654	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-74.8	161.6	178.9	-66.1	-62.5	-24.6	0	0	112.5	Y533 Y561	Q529-Y533 WeakPolarHBondContact O-CE2 2.93Å; Q529-Y533 PolarHBondContact O-OH 3.01Å; Q529-Y561 WeakPolarHBondContact O-CD1 3.43Å
530	P	98.1	Very high	96.7	Very high	75 Å²	75	28.1 Å²	28.1	49%	0.487	15%	0.152	S	C	.	.	S	Bend	trans	-58	137.1	166.9	-22.1	34.1	0	0	0	111.2	Y561	P530-Y561 CarbonylContact C-O 3.44Å; P530-Y561 VanDerWaalsContact CA-O 3.31Å; P530-Y561 WeakPolarHBondContact CA-O 3.37Å
531	G	98.1	Very high	96.8	Very high	20 Å²	20	29.1 Å²	29.1	21%	0.206	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-170.5	-171.9	0	0	0	0	0	114.6	Y533 Y561	G531-Y533 VanDerWaalsContact C-CE2 3.5Å; G531-Y561 PolarHBondContact N-O 3.25Å; G531-Y561 PolarHBondContact O-N 3.36Å
532	N	98.5	Very high	96.5	Very high	95 Å²	95	34.7 Å²	34.7	51%	0.508	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.8	175.4	-64.4	-45.7	0	0	0	109.4	A468 I559 H560	A468-N532 HydrophobicContact CB-CB 3.99Å; A468-N532 WeakPolarHBondContact CB-O 3.28Å; A468-N532 PolarHBondContact N-O 2.8Å; N532-I559 WeakPolarHBondContact CA-O 3.06Å; N532-H560 PolarHBondContact OD1-ND1 2.92Å
533	Y	98.7	Very high	96.3	Very high	20 Å²	20	39.8 Å²	39.8	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.5	-174.3	-60	-76.3	0	0	0	110.9	L465 L466 D467 V474 V528 Q529 G531 I559	L465-Y533 HydrophobicContact CD1-CG 4.3Å; L465-Y533 HydrophobicContact CD2-CD1 4.45Å; L465-Y533 HydrophobicContact CD2-CG 4.26Å; L465-Y533 HydrophobicContact CG-CD1 4.3Å; L465-Y533 HydrophobicContact CG-CG 4.18Å; L466-Y533 CarbonylContact O-C 3.59Å; L466-Y533 WeakPolarHBondContact O-CA 3.34Å; L466-Y533 WeakPolarHBondContact O-CB 3.48Å; D467-Y533 HydrophobicContact CB-CD1 4.48Å; D467-Y533 HydrophobicContact CB-CE1 4.39Å; V474-Y533 HydrophobicContact CG1-CE1 4.42Å; V474-Y533 HydrophobicContact CG2-CD1 3.72Å; V474-Y533 HydrophobicContact CG2-CE1 3.71Å; V528-Y533 HydrophobicContact CG1-CE1 4.08Å; V528-Y533 HydrophobicContact CG1-CE2 3.97Å; Q529-Y533 WeakPolarHBondContact O-CE2 2.93Å; Q529-Y533 PolarHBondContact O-OH 3.01Å; G531-Y533 VanDerWaalsContact C-CE2 3.5Å; Y533-I559 PolarHBondContact N-O 2.93Å; Y533-I559 PolarHBondContact O-N 2.98Å
534	I	98.5	Very high	95.7	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.138	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.4	167.3	-52.3	-64.9	0	0	0	107.4	L466 A468 R556 C557	L466-I534 HydrophobicContact CB-CB 4.37Å; L466-I534 PolarHBondContact N-O 3.44Å; L466-I534 PolarHBondContact O-N 3.25Å; A468-I534 HydrophobicContact CB-CD1 4.43Å; A468-I534 HydrophobicContact CB-CG1 4.28Å; I534-R556 HydrophobicContact CG2-CB 4.03Å; I534-R556 HydrophobicContact CG2-CG 4.35Å; I534-C557 CarbonylContact C-O 3.56Å; I534-C557 VanDerWaalsContact CA-O 3.3Å; I534-C557 WeakPolarHBondContact CA-O 3.48Å
535	L	98.4	Very high	95.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.2	165.4	169.7	64.1	0	0	0	107.6	V381 F424 L465 I523 V537 R556 C557 I559	V381-L535 HydrophobicContact CG1-CD2 3.85Å; F424-L535 HydrophobicContact CD1-CD2 3.9Å; F424-L535 HydrophobicContact CD2-CD2 4.36Å; F424-L535 HydrophobicContact CE1-CD1 4.01Å; F424-L535 HydrophobicContact CE1-CD2 4.17Å; F424-L535 HydrophobicContact CG-CD2 4.03Å; F424-L535 HydrophobicContact CZ-CD1 4.17Å; L465-L535 HydrophobicContact CD1-CB 4.47Å; I523-L535 HydrophobicContact CD1-CD1 3.62Å; L535-V537 HydrophobicContact CD1-CG2 4.18Å; L535-V537 HydrophobicContact CD2-CG2 4.38Å; L535-V537 HydrophobicContact CG-CG2 4.18Å; L535-R556 CarbonylContact O-C 3.56Å; L535-R556 VanDerWaalsContact O-CA 3.28Å; L535-R556 WeakPolarHBondContact O-CA 3.07Å; L535-C557 HydrophobicContact CB-CB 4.38Å; L535-C557 PolarHBondContact N-O 2.94Å; L535-C557 PolarHBondContact O-N 2.94Å; L535-I559 HydrophobicContact CB-CD1 3.85Å; L535-I559 HydrophobicContact CB-CG1 3.55Å; L535-I559 HydrophobicContact CD2-CD1 4.35Å
536	K	97.8	Very high	95.1	Very high	46 Å²	46	49.6 Å²	49.6	20%	0.2	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.6	171.1	175.3	-171.5	157.9	-136.2	0	108.5	Y463 D464 L466 V554 V555 R556	Y463-K536 WeakPolarHBondContact CA-O 3.25Å; D464-K536 HydrophobicContact CB-CB 4.22Å; D464-K536 PolarHBondContact N-O 3.18Å; D464-K536 PolarHBondContact O-N 2.81Å; D464-K536 WeakPolarHBondContact OD2-CD 3.31Å; D464-K536 WeakPolarHBondContact OD2-CE 3.23Å; D464-K536 IonicContact OD2-NZ 3.66Å; D464-K536 PolarHBondContact OD2-NZ 3.46Å; L466-K536 HydrophobicContact CD1-CB 4.46Å; K536-V554 HydrophobicContact CD-CG1 4.26Å; K536-V554 HydrophobicContact CG-CG1 3.69Å; K536-V555 CarbonylContact C-O 3.59Å; K536-V555 WeakPolarHBondContact CA-O 3.17Å; K536-R556 HydrophobicContact CB-CG 4.06Å; K536-R556 HydrophobicContact CG-CG 4.06Å
537	V	96.8	Very high	95	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.8	173.1	173.2	0	0	0	0	107.8	F424 Y463 L535 V554 V555	F424-V537 HydrophobicContact CD2-CG2 4.32Å; F424-V537 HydrophobicContact CE2-CG2 3.68Å; F424-V537 HydrophobicContact CZ-CG2 4.19Å; Y463-V537 HydrophobicContact CD1-CB 4.29Å; Y463-V537 HydrophobicContact CD1-CG1 4.01Å; Y463-V537 HydrophobicContact CD1-CG2 3.9Å; Y463-V537 HydrophobicContact CE1-CG1 3.82Å; Y463-V537 HydrophobicContact CE1-CG2 4.21Å; L535-V537 HydrophobicContact CD1-CG2 4.18Å; L535-V537 HydrophobicContact CD2-CG2 4.38Å; L535-V537 HydrophobicContact CG-CG2 4.18Å; V537-V554 CarbonylContact O-C 3.59Å; V537-V554 VanDerWaalsContact O-CA 3.32Å; V537-V554 WeakPolarHBondContact O-CA 2.91Å; V537-V555 PolarHBondContact N-O 2.84Å; V537-V555 PolarHBondContact O-N 3.04Å
538	H	95.9	Very high	95	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.8	-179.9	-171.7	-170.1	0	0	0	110.1	S461 H462 P541 V554	S461-H538 CarbonylContact C-O 3.52Å; S461-H538 WeakPolarHBondContact CA-O 3.41Å; S461-H538 WeakPolarHBondContact CB-O 3.5Å; H462-H538 PolarHBondContact N-O 3.4Å; H462-H538 PolarHBondContact O-N 3.27Å; H538-P541 HydrophobicContact CB-CB 4.19Å; H538-P541 WeakPolarHBondContact ND1-CB 3.48Å; H538-V554 HydrophobicContact CB-CG2 4.18Å; H538-V554 WeakPolarHBondContact CD2-CG2 3.44Å
539	V	94.4	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.7	178.7	-176.1	0	0	0	0	110.5	L374 P376 V428 F460 P541 N553	L374-V539 HydrophobicContact CB-CG1 4Å; L374-V539 HydrophobicContact CD1-CG1 3.63Å; L374-V539 HydrophobicContact CG-CG1 4.5Å; P376-V539 HydrophobicContact CB-CG2 3.91Å; P376-V539 HydrophobicContact CG-CG2 3.88Å; V428-V539 HydrophobicContact CG1-CG1 4.09Å; V428-V539 HydrophobicContact CG2-CG1 4.33Å; V428-V539 HydrophobicContact CG2-CG2 3.87Å; F460-V539 HydrophobicContact CE1-CG1 4.25Å; F460-V539 HydrophobicContact CE2-CG1 4.05Å; F460-V539 HydrophobicContact CZ-CG1 3.85Å; V539-P541 VanDerWaalsContact C-N 3.33Å; V539-N553 PolarHBondContact N-O 3.4Å; V539-N553 WeakPolarHBondContact O-CB 3.32Å; V539-N553 PolarHBondContact O-ND2 2.9Å
540	N	92.5	Very high	94.8	Very high	2 Å²	2	45 Å²	45	1%	0.011	24%	0.236	C	C	.	.	S	Bend	trans	46.9	48.9	-172.6	-170.6	15.6	0	0	0	112.9	F460 K542 Y543 I544 V545 E547	F460-N540 PolarHBondContact O-N 2.99Å; N540-K542 PolarHBondContact O-N 3.39Å; N540-Y543 PolarHBondContact O-N 3.45Å; N540-I544 PolarHBondContact OD1-N 2.8Å; N540-I544 VanDerWaalsContact OD1-N 3.17Å; N540-V545 PolarHBondContact ND2-O 3.35Å; N540-E547 VanDerWaalsContact CB-OE1 3.28Å; N540-E547 WeakPolarHBondContact CB-OE1 3.44Å; N540-E547 PolarHBondContact ND2-OE1 3.48Å
541	P	91.5	Very high	94.8	Very high	22 Å²	22	44.1 Å²	44.1	14%	0.143	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.6	-163.3	30.1	-39.3	0	0	0	115	E459 H462 H538 V539	E459-P541 HydrophobicContact CG-CG 4.08Å; H462-P541 HydrophobicContact CB-CB 4.07Å; H462-P541 HydrophobicContact CB-CG 3.91Å; H538-P541 HydrophobicContact CB-CB 4.19Å; H538-P541 WeakPolarHBondContact ND1-CB 3.48Å; V539-P541 VanDerWaalsContact C-N 3.33Å
542	K	89.8	Confident	94.7	Very high	116 Å²	116	43.8 Å²	43.8	50%	0.504	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	2.2	-179	-71.7	167.1	170.4	151.8	0	112.9	E459 N540 I544	E459-K542 WeakPolarHBondContact OE2-CE 3.25Å; E459-K542 IonicContact OE2-NZ 3.49Å; E459-K542 PolarHBondContact OE2-NZ 2.97Å; N540-K542 PolarHBondContact O-N 3.39Å; K542-I544 HydrophobicContact CB-CD1 3.63Å; K542-I544 HydrophobicContact CB-CG1 3.68Å; K542-I544 HydrophobicContact CD-CD1 3.92Å; K542-I544 HydrophobicContact CG-CD1 4.42Å; K542-I544 PolarHBondContact O-N 3.27Å
543	Y	90.8	Very high	94.6	Very high	109 Å²	109	39.3 Å²	39.3	43%	0.427	20%	0.199	S	C	.	.			trans	55.4	33.1	-179.2	-45.9	-76.5	0	0	0	113.5	N540 F550	N540-Y543 PolarHBondContact O-N 3.45Å; Y543-F550 HydrophobicContact CD1-CB 4.46Å; Y543-F550 AromaticContact CD1-CD1 3.56Å; Y543-F550 HydrophobicContact CD1-CD1 3.56Å; Y543-F550 HydrophobicContact CD1-CD2 4.16Å; Y543-F550 AromaticContact CD1-CE1 3.63Å; Y543-F550 HydrophobicContact CD1-CE1 3.63Å; Y543-F550 HydrophobicContact CD1-CE2 4.23Å; Y543-F550 AromaticContact CD1-CG 3.82Å; Y543-F550 HydrophobicContact CD1-CG 3.82Å; Y543-F550 AromaticContact CD1-CZ 3.97Å; Y543-F550 HydrophobicContact CD1-CZ 3.97Å; Y543-F550 HydrophobicContact CE1-CB 4.09Å; Y543-F550 AromaticContact CE1-CD1 3.88Å; Y543-F550 HydrophobicContact CE1-CD1 3.88Å; Y543-F550 HydrophobicContact CE1-CE1 4.4Å; Y543-F550 AromaticContact CE1-CG 3.95Å; Y543-F550 HydrophobicContact CE1-CG 3.95Å
544	I	86.8	Confident	94.5	Very high	72 Å²	72	38.5 Å²	38.5	37%	0.369	20%	0.196	S	C	.	.			trans	-75.8	-36.2	-172.3	-71.6	171.3	0	0	0	111.1	N439 N540 K542	N439-I544 HydrophobicContact CB-CG2 3.56Å; N439-I544 WeakPolarHBondContact ND2-CG2 3.24Å; N540-I544 PolarHBondContact OD1-N 2.8Å; N540-I544 VanDerWaalsContact OD1-N 3.17Å; K542-I544 HydrophobicContact CB-CD1 3.63Å; K542-I544 HydrophobicContact CB-CG1 3.68Å; K542-I544 HydrophobicContact CD-CD1 3.92Å; K542-I544 HydrophobicContact CG-CD1 4.42Å; K542-I544 PolarHBondContact O-N 3.27Å
545	V	89.9	Confident	94.5	Very high	18 Å²	18	37.2 Å²	37.2	11%	0.109	19%	0.189	C	C	.	.	S	Bend	trans	-97.8	138.4	168	-178	0	0	0	0	107.6	P372 F436 L437 N439 M457 N540	P372-V545 HydrophobicContact CG-CG1 4.37Å; F436-V545 HydrophobicContact CD2-CB 4.21Å; F436-V545 HydrophobicContact CD2-CG1 3.68Å; F436-V545 HydrophobicContact CE1-CG2 4.26Å; F436-V545 HydrophobicContact CE2-CB 3.48Å; F436-V545 VanDerWaalsContact CE2-CB 3.48Å; F436-V545 HydrophobicContact CE2-CG1 3.5Å; F436-V545 VanDerWaalsContact CE2-CG1 3.5Å; F436-V545 HydrophobicContact CE2-CG2 3.93Å; F436-V545 HydrophobicContact CG-CG1 4.4Å; F436-V545 HydrophobicContact CZ-CB 3.76Å; F436-V545 HydrophobicContact CZ-CG1 4.08Å; F436-V545 HydrophobicContact CZ-CG2 3.66Å; L437-V545 WeakPolarHBondContact O-CG2 3.38Å; N439-V545 HydrophobicContact CB-CG2 4.25Å; M457-V545 HydrophobicContact CE-CG2 4.09Å; M457-V545 HydrophobicContact SD-CG2 4.4Å; N540-V545 PolarHBondContact ND2-O 3.35Å
546	L	92.8	Very high	94.5	Very high	121 Å²	121	41.7 Å²	41.7	63%	0.634	21%	0.206	S	C	*	.			trans	-78.9	136.7	178.3	-65	176.5	0	0	0	111	L371 P372	L371-L546 HydrophobicContact CD2-CB 4.05Å; P372-L546 VanDerWaalsContact CD-O 3.31Å; P372-L546 WeakPolarHBondContact CD-O 3.22Å; P372-L546 VanDerWaalsContact CG-O 3.25Å; P372-L546 WeakPolarHBondContact CG-O 3.11Å
547	E	95.4	Very high	94.5	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.047	20%	0.197	C	C	.	.			trans	-128.6	158.7	-179.8	-54.8	-168.1	-123.1	0	0	110.6	L371 P372 D373 L374 N540 D549 F550 N553	L371-E547 WeakPolarHBondContact CD1-O 3.38Å; P372-E547 HydrophobicContact CG-CG 4.34Å; P372-E547 CarbonylContact O-C 3.44Å; P372-E547 WeakPolarHBondContact O-CA 3.43Å; P372-E547 WeakPolarHBondContact O-CB 3.31Å; D373-E547 WeakPolarHBondContact CA-OE2 3.46Å; L374-E547 WeakPolarHBondContact CA-OE2 3.18Å; L374-E547 WeakPolarHBondContact CB-OE2 3.15Å; L374-E547 VanDerWaalsContact CG-OE2 3.27Å; L374-E547 WeakPolarHBondContact CG-OE2 3.31Å; L374-E547 PolarHBondContact N-OE2 3.04Å; N540-E547 VanDerWaalsContact CB-OE1 3.28Å; N540-E547 WeakPolarHBondContact CB-OE1 3.44Å; N540-E547 PolarHBondContact ND2-OE1 3.48Å; E547-D549 VanDerWaalsContact CB-O 3.23Å; E547-D549 WeakPolarHBondContact CB-O 3.43Å; E547-F550 HydrophobicContact CB-CD1 4.06Å; E547-F550 HydrophobicContact CB-CE1 3.61Å; E547-F550 HydrophobicContact CB-CE2 4.16Å; E547-F550 HydrophobicContact CB-CZ 3.68Å; E547-F550 HydrophobicContact CG-CD1 4.21Å; E547-F550 HydrophobicContact CG-CE1 3.49Å; E547-F550 VanDerWaalsContact CG-CE1 3.49Å; E547-F550 HydrophobicContact CG-CZ 3.82Å; E547-F550 VanDerWaalsContact OE1-CE1 3.31Å; E547-F550 WeakPolarHBondContact OE1-CE1 3.38Å; E547-N553 PolarHBondContact OE1-ND2 2.96Å
548	S	96.1	Very high	94.6	Very high	73 Å²	73	42.5 Å²	42.5	51%	0.51	21%	0.213	S	C	.	.	S	Bend	trans	-80.3	-22.3	177.7	46.2	0	0	0	0	114.3	P372	P372-S548 PolarHBondContact O-N 3.16Å; P372-S548 PolarHBondContact O-OG 3.17Å
549	D	95.1	Very high	94.7	Very high	56 Å²	56	42.1 Å²	42.1	30%	0.299	21%	0.211	S	C	.	.			trans	-136.3	154.3	167.2	-164.4	-4.7	0	0	0	107.5	E547 T551	E547-D549 VanDerWaalsContact CB-O 3.23Å; E547-D549 WeakPolarHBondContact CB-O 3.43Å; D549-T551 VanDerWaalsContact CG-OG1 3.3Å; D549-T551 WeakPolarHBondContact OD1-CB 3.29Å; D549-T551 WeakPolarHBondContact OD1-CG2 3.11Å; D549-T551 PolarHBondContact OD1-N 2.86Å; D549-T551 PolarHBondContact OD1-OG1 3.3Å; D549-T551 PolarHBondContact OD2-OG1 2.7Å; D549-T551 VanDerWaalsContact OD2-OG1 3.12Å
550	F	95.9	Very high	94.9	Very high	47 Å²	47	46.4 Å²	46.4	21%	0.206	23%	0.231	C	C	.	.			trans	-130.7	-9.7	171.3	-74.4	-68.4	0	0	0	111.8	Y543 E547 N552 N553	Y543-F550 HydrophobicContact CD1-CB 4.46Å; Y543-F550 AromaticContact CD1-CD1 3.56Å; Y543-F550 HydrophobicContact CD1-CD1 3.56Å; Y543-F550 HydrophobicContact CD1-CD2 4.16Å; Y543-F550 AromaticContact CD1-CE1 3.63Å; Y543-F550 HydrophobicContact CD1-CE1 3.63Å; Y543-F550 HydrophobicContact CD1-CE2 4.23Å; Y543-F550 AromaticContact CD1-CG 3.82Å; Y543-F550 HydrophobicContact CD1-CG 3.82Å; Y543-F550 AromaticContact CD1-CZ 3.97Å; Y543-F550 HydrophobicContact CD1-CZ 3.97Å; Y543-F550 HydrophobicContact CE1-CB 4.09Å; Y543-F550 AromaticContact CE1-CD1 3.88Å; Y543-F550 HydrophobicContact CE1-CD1 3.88Å; Y543-F550 HydrophobicContact CE1-CE1 4.4Å; Y543-F550 AromaticContact CE1-CG 3.95Å; Y543-F550 HydrophobicContact CE1-CG 3.95Å; E547-F550 HydrophobicContact CB-CD1 4.06Å; E547-F550 HydrophobicContact CB-CE1 3.61Å; E547-F550 HydrophobicContact CB-CE2 4.16Å; E547-F550 HydrophobicContact CB-CZ 3.68Å; E547-F550 HydrophobicContact CG-CD1 4.21Å; E547-F550 HydrophobicContact CG-CE1 3.49Å; E547-F550 VanDerWaalsContact CG-CE1 3.49Å; E547-F550 HydrophobicContact CG-CZ 3.82Å; E547-F550 VanDerWaalsContact OE1-CE1 3.31Å; E547-F550 WeakPolarHBondContact OE1-CE1 3.38Å; F550-N552 PolarHBondContact O-N 3.38Å; F550-N552 VanDerWaalsContact O-N 3.08Å; F550-N553 WeakPolarHBondContact CA-OD1 3.44Å; F550-N553 PolarHBondContact O-N 2.8Å
551	T	96.2	Very high	95.2	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.344	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	2.9	-175.4	68.5	0	0	0	0	113.6	D549 Q575	D549-T551 VanDerWaalsContact CG-OG1 3.3Å; D549-T551 WeakPolarHBondContact OD1-CB 3.29Å; D549-T551 WeakPolarHBondContact OD1-CG2 3.11Å; D549-T551 PolarHBondContact OD1-N 2.86Å; D549-T551 PolarHBondContact OD1-OG1 3.3Å; D549-T551 PolarHBondContact OD2-OG1 2.7Å; D549-T551 VanDerWaalsContact OD2-OG1 3.12Å; T551-Q575 HydrophobicContact CG2-CG 4.25Å; T551-Q575 WeakPolarHBondContact O-CA 3.37Å
552	N	96.8	Very high	95.5	Very high	14 Å²	14	49 Å²	49	8%	0.075	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-6.2	-175.5	53.8	-14.9	0	0	0	113.1	D373 V375 Q431 F550 V554 I573	D373-N552 PolarHBondContact OD1-ND2 3.08Å; V375-N552 HydrophobicContact CG2-CB 4.26Å; V375-N552 VanDerWaalsContact CG2-ND2 3.28Å; V375-N552 WeakPolarHBondContact CG2-ND2 3.3Å; Q431-N552 PolarHBondContact NE2-ND2 2.95Å; F550-N552 PolarHBondContact O-N 3.38Å; F550-N552 VanDerWaalsContact O-N 3.08Å; N552-V554 PolarHBondContact O-N 3.43Å; N552-I573 HydrophobicContact CB-CG2 4.15Å; N552-I573 WeakPolarHBondContact O-CG2 3.39Å
553	N	96.3	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-69.5	-7.3	-178.2	-74	46.3	0	0	0	115	V539 E547 F550	V539-N553 PolarHBondContact N-O 3.4Å; V539-N553 WeakPolarHBondContact O-CB 3.32Å; V539-N553 PolarHBondContact O-ND2 2.9Å; E547-N553 PolarHBondContact OE1-ND2 2.96Å; F550-N553 WeakPolarHBondContact CA-OD1 3.44Å; F550-N553 PolarHBondContact O-N 2.8Å
554	V	97.8	Very high	96	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.9	-174.2	-174.9	0	0	0	0	112	K536 V537 H538 N552 R556 I573 V574	K536-V554 HydrophobicContact CD-CG1 4.26Å; K536-V554 HydrophobicContact CG-CG1 3.69Å; V537-V554 CarbonylContact O-C 3.59Å; V537-V554 VanDerWaalsContact O-CA 3.32Å; V537-V554 WeakPolarHBondContact O-CA 2.91Å; H538-V554 HydrophobicContact CB-CG2 4.18Å; H538-V554 WeakPolarHBondContact CD2-CG2 3.44Å; N552-V554 PolarHBondContact O-N 3.43Å; V554-R556 HydrophobicContact CG1-CG 4.21Å; V554-I573 CarbonylContact O-C 3.56Å; V554-I573 VanDerWaalsContact O-CA 3.29Å; V554-I573 WeakPolarHBondContact O-CA 3.43Å; V554-V574 HydrophobicContact CB-CG2 3.87Å; V554-V574 HydrophobicContact CG1-CG2 3.56Å; V554-V574 PolarHBondContact O-N 3.3Å
555	V	98.1	Very high	96.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137	163.1	165.2	0	0	0	0	109.9	P376 P378 V381 K536 V537 K572 I573	P376-V555 HydrophobicContact CB-CG2 3.94Å; P376-V555 HydrophobicContact CG-CG2 3.89Å; P378-V555 HydrophobicContact CB-CG1 3.98Å; P378-V555 HydrophobicContact CB-CG2 3.92Å; V381-V555 HydrophobicContact CG2-CG1 4.46Å; K536-V555 CarbonylContact C-O 3.59Å; K536-V555 WeakPolarHBondContact CA-O 3.17Å; V537-V555 PolarHBondContact N-O 2.84Å; V537-V555 PolarHBondContact O-N 3.04Å; V555-K572 CarbonylContact C-O 3.56Å; V555-K572 WeakPolarHBondContact CA-O 3.26Å; V555-I573 HydrophobicContact CG2-CG1 4.12Å
556	R	98.1	Very high	96.8	Very high	94 Å²	94	53.6 Å²	53.6	36%	0.355	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.6	166.1	-68.7	-178	75.1	173.9	1.1	111	I534 L535 K536 V554 C571 K572 V574	I534-R556 HydrophobicContact CG2-CB 4.03Å; I534-R556 HydrophobicContact CG2-CG 4.35Å; L535-R556 CarbonylContact O-C 3.56Å; L535-R556 VanDerWaalsContact O-CA 3.28Å; L535-R556 WeakPolarHBondContact O-CA 3.07Å; K536-R556 HydrophobicContact CB-CG 4.06Å; K536-R556 HydrophobicContact CG-CG 4.06Å; V554-R556 HydrophobicContact CG1-CG 4.21Å; R556-C571 WeakPolarHBondContact O-CA 3.47Å; R556-K572 PolarHBondContact N-O 2.82Å; R556-K572 PolarHBondContact O-N 3.22Å; R556-V574 HydrophobicContact CB-CG1 4.21Å; R556-V574 HydrophobicContact CB-CG2 4.36Å; R556-V574 HydrophobicContact CG-CG1 4.41Å; R556-V574 HydrophobicContact CG-CG2 3.73Å
557	C	98.5	Very high	97	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142	179.5	-60.1	0	0	0	0	110.9	I534 L535 T568 C571	I534-C557 CarbonylContact C-O 3.56Å; I534-C557 VanDerWaalsContact CA-O 3.3Å; I534-C557 WeakPolarHBondContact CA-O 3.48Å; L535-C557 HydrophobicContact CB-CB 4.38Å; L535-C557 PolarHBondContact N-O 2.94Å; L535-C557 PolarHBondContact O-N 2.94Å; C557-T568 HydrophobicContact CB-CG2 3.77Å; C557-C571 HydrophobicContact CB-CB 4.1Å; C557-C571 WeakPolarHBondContact CB-SG 3.41Å; C557-C571 VanDerWaalsContact SG-CA 3.55Å; C557-C571 WeakPolarHBondContact SG-CB 3.39Å; C557-C571 CovalentContact SG-SG 2.03Å; C557-C571 PolarHBondContact SG-SG 2.95Å
558	N	98.5	Very high	97.1	Very high	63 Å²	63	51.1 Å²	51.1	34%	0.337	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.3	168.3	-60.8	6.2	0	0	0	109.2	T568 T569 N570	N558-T568 WeakPolarHBondContact O-CA 2.97Å; N558-T569 WeakPolarHBondContact CA-O 3.45Å; N558-T569 WeakPolarHBondContact CB-O 3.4Å; N558-T569 PolarHBondContact N-O 2.87Å; N558-T569 PolarHBondContact O-N 3.32Å; N558-N570 HydrophobicContact CB-CB 4.42Å; N558-N570 PolarHBondContact ND2-ND2 3.49Å; N558-N570 PolarHBondContact OD1-ND2 2.9Å
559	I	98.5	Very high	97.2	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.9	-177.9	-61.4	-64.7	0	0	0	108.7	L465 N532 Y533 L535 V566 T568	L465-I559 HydrophobicContact CD1-CG1 4.45Å; N532-I559 WeakPolarHBondContact CA-O 3.06Å; Y533-I559 PolarHBondContact N-O 2.93Å; Y533-I559 PolarHBondContact O-N 2.98Å; L535-I559 HydrophobicContact CB-CD1 3.85Å; L535-I559 HydrophobicContact CB-CG1 3.55Å; L535-I559 HydrophobicContact CD2-CD1 4.35Å; I559-V566 HydrophobicContact CG2-CG2 3.67Å; I559-T568 HydrophobicContact CD1-CG2 3.8Å; I559-T568 VanDerWaalsContact CD1-OG1 3.3Å; I559-T568 WeakPolarHBondContact CD1-OG1 3.21Å
560	H	98.4	Very high	97.4	Very high	90 Å²	90	52.1 Å²	52.1	42%	0.417	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.2	168.2	-179.7	68.6	0	0	0	109.4	N532 V566 S567	N532-H560 PolarHBondContact OD1-ND1 2.92Å; H560-V566 CarbonylContact O-C 3.51Å; H560-V566 VanDerWaalsContact O-CA 3.29Å; H560-V566 WeakPolarHBondContact O-CA 3.36Å; H560-S567 PolarHBondContact N-O 2.87Å; H560-S567 PolarHBondContact O-N 2.82Å
561	Y	98.4	Very high	97.5	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.9	-176	173.5	-127.4	0	0	0	111.6	V387 I525 Q529 P530 G531 G563	V387-Y561 HydrophobicContact CG2-CD2 4.15Å; V387-Y561 HydrophobicContact CG2-CE2 4.02Å; I525-Y561 HydrophobicContact CD1-CD1 4.28Å; I525-Y561 HydrophobicContact CD1-CD2 4.08Å; I525-Y561 HydrophobicContact CD1-CE1 3.94Å; I525-Y561 HydrophobicContact CD1-CE2 3.73Å; I525-Y561 HydrophobicContact CD1-CG 4.35Å; Q529-Y561 WeakPolarHBondContact O-CD1 3.43Å; P530-Y561 CarbonylContact C-O 3.44Å; P530-Y561 VanDerWaalsContact CA-O 3.31Å; P530-Y561 WeakPolarHBondContact CA-O 3.37Å; G531-Y561 PolarHBondContact N-O 3.25Å; G531-Y561 PolarHBondContact O-N 3.36Å; Y561-G563 VanDerWaalsContact CZ-CA 3.41Å; Y561-G563 WeakPolarHBondContact OH-CA 3.43Å
562	T	97.7	Very high	97.5	Very high	67 Å²	67	53.2 Å²	53.2	41%	0.411	26%	0.258	S	S	.	.			trans	-110.1	9.3	-171.2	60.4	0	0	0	0	114	R564 Y565	T562-R564 PolarHBondContact O-N 3.39Å; T562-Y565 PolarHBondContact N-O 2.86Å; T562-Y565 WeakPolarHBondContact OG1-CA 3.3Å; T562-Y565 PolarHBondContact OG1-N 2.89Å; T562-Y565 PolarHBondContact OG1-O 2.97Å
563	G	95.8	Very high	97.6	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	27%	0.271	C	S	.	.	S	Bend	trans	79.7	-12.9	-170.8	0	0	0	0	0	114.7	R389 Y561	R389-G563 PolarHBondContact NH2-O 2.77Å; Y561-G563 VanDerWaalsContact CZ-CA 3.41Å; Y561-G563 WeakPolarHBondContact OH-CA 3.43Å
564	R	94.5	Very high	97.5	Very high	191 Å²	191	57.2 Å²	57.2	72%	0.721	28%	0.28	S	S	*	.	S	Bend	trans	-133.7	-44.6	178.7	-63.8	-173.7	-179.9	-164.3	-1	113.2	T562	T562-R564 PolarHBondContact O-N 3.39Å
565	Y	95.6	Very high	96.8	Very high	178 Å²	178	64.2 Å²	64.2	70%	0.698	31%	0.312	S	S	*	.			trans	-120.6	158.2	-179.9	-53.4	-77.7	0	0	0	111	T562	T562-Y565 PolarHBondContact N-O 2.86Å; T562-Y565 WeakPolarHBondContact OG1-CA 3.3Å; T562-Y565 PolarHBondContact OG1-N 2.89Å; T562-Y565 PolarHBondContact OG1-O 2.97Å
566	V	97.6	Very high	95.1	Very high	27 Å²	27	68.5 Å²	68.5	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.9	171.6	64.3	0	0	0	0	109.9	T385 V387 L422 I559 H560	T385-V566 HydrophobicContact CG2-CG1 4.01Å; V387-V566 HydrophobicContact CG2-CB 3.85Å; V387-V566 HydrophobicContact CG2-CG1 3.82Å; L422-V566 HydrophobicContact CD1-CB 4.26Å; L422-V566 HydrophobicContact CD1-CG1 4.05Å; L422-V566 HydrophobicContact CD1-CG2 3.93Å; I559-V566 HydrophobicContact CG2-CG2 3.67Å; H560-V566 CarbonylContact O-C 3.51Å; H560-V566 VanDerWaalsContact O-CA 3.29Å; H560-V566 WeakPolarHBondContact O-CA 3.36Å
567	S	97.8	Very high	95	Very high	63 Å²	63	67.2 Å²	67.2	44%	0.441	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	164.6	-175.1	0	0	0	0	109.1	H560	H560-S567 PolarHBondContact N-O 2.87Å; H560-S567 PolarHBondContact O-N 2.82Å
568	T	98.3	Very high	94.8	Very high	17 Å²	17	70.7 Å²	70.7	10%	0.104	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.2	178.3	-57.8	0	0	0	0	109.4	Q382 T385 C557 N558 I559 C571	Q382-T568 HydrophobicContact CG-CG2 4.21Å; Q382-T568 WeakPolarHBondContact CG-O 3.31Å; T385-T568 WeakPolarHBondContact CB-OG1 3.38Å; T385-T568 WeakPolarHBondContact CG2-OG1 3.43Å; T385-T568 PolarHBondContact OG1-OG1 2.03Å; T385-T568 VanDerWaalsContact OG1-OG1 3.11Å; C557-T568 HydrophobicContact CB-CG2 3.77Å; N558-T568 WeakPolarHBondContact O-CA 2.97Å; I559-T568 HydrophobicContact CD1-CG2 3.8Å; I559-T568 VanDerWaalsContact CD1-OG1 3.3Å; I559-T568 WeakPolarHBondContact CD1-OG1 3.21Å; T568-C571 WeakPolarHBondContact CG2-SG 3.16Å
569	T	98.2	Very high	94.6	Very high	66 Å²	66	71.1 Å²	71.1	41%	0.405	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.1	-175.4	57.7	0	0	0	0	111.1	N558 C571	N558-T569 WeakPolarHBondContact CA-O 3.45Å; N558-T569 WeakPolarHBondContact CB-O 3.4Å; N558-T569 PolarHBondContact N-O 2.87Å; N558-T569 PolarHBondContact O-N 3.32Å; T569-C571 PolarHBondContact O-N 2.98Å; T569-C571 VanDerWaalsContact O-N 3.11Å
570	N	97.8	Very high	94.4	Very high	84 Å²	84	74.9 Å²	74.9	45%	0.449	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	33	174.5	-177.6	57.3	0	0	0	113.1	N558 K572	N558-N570 HydrophobicContact CB-CB 4.42Å; N558-N570 PolarHBondContact ND2-ND2 3.49Å; N558-N570 PolarHBondContact OD1-ND2 2.9Å; N570-K572 PolarHBondContact O-N 3.33Å
571	C	98.3	Very high	94.1	Very high	17 Å²	17	74 Å²	74	12%	0.115	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.7	171.6	-73.2	0	0	0	0	110.2	P378 Q382 R556 C557 T568 T569	P378-C571 HydrophobicContact CB-CB 3.87Å; P378-C571 WeakPolarHBondContact O-CB 3.35Å; Q382-C571 HydrophobicContact CB-CB 3.91Å; Q382-C571 VanDerWaalsContact CB-SG 3.51Å; Q382-C571 HydrophobicContact CG-CB 4.26Å; R556-C571 WeakPolarHBondContact O-CA 3.47Å; C557-C571 HydrophobicContact CB-CB 4.1Å; C557-C571 WeakPolarHBondContact CB-SG 3.41Å; C557-C571 VanDerWaalsContact SG-CA 3.55Å; C557-C571 WeakPolarHBondContact SG-CB 3.39Å; C557-C571 CovalentContact SG-SG 2.03Å; C557-C571 PolarHBondContact SG-SG 2.95Å; T568-C571 WeakPolarHBondContact CG2-SG 3.16Å; T569-C571 PolarHBondContact O-N 2.98Å; T569-C571 VanDerWaalsContact O-N 3.11Å
572	K	97.7	Very high	93.8	Very high	109 Å²	109	78.1 Å²	78.1	47%	0.474	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.3	177.8	59.4	-177.3	178.6	178.9	0	111.3	V555 R556 N570 V574	V555-K572 CarbonylContact C-O 3.56Å; V555-K572 WeakPolarHBondContact CA-O 3.26Å; R556-K572 PolarHBondContact N-O 2.82Å; R556-K572 PolarHBondContact O-N 3.22Å; N570-K572 PolarHBondContact O-N 3.33Å; K572-V574 HydrophobicContact CD-CG1 4.5Å; K572-V574 HydrophobicContact CG-CG1 4.1Å
573	I	97.4	Very high	93.6	Very high	66 Å²	66	78.9 Å²	78.9	34%	0.338	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.2	163.7	-63.7	160.1	0	0	0	108.3	V375 P378 N552 V554 V555	V375-I573 HydrophobicContact CG1-CD1 3.58Å; P378-I573 HydrophobicContact CG-CG1 4.32Å; N552-I573 HydrophobicContact CB-CG2 4.15Å; N552-I573 WeakPolarHBondContact O-CG2 3.39Å; V554-I573 CarbonylContact O-C 3.56Å; V554-I573 VanDerWaalsContact O-CA 3.29Å; V554-I573 WeakPolarHBondContact O-CA 3.43Å; V555-I573 HydrophobicContact CG2-CG1 4.12Å
574	V	94.1	Very high	93.4	Very high	32 Å²	32	83.8 Å²	83.8	19%	0.194	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.5	174.1	-60.3	0	0	0	0	110	V554 R556 K572 S576	V554-V574 HydrophobicContact CB-CG2 3.87Å; V554-V574 HydrophobicContact CG1-CG2 3.56Å; V554-V574 PolarHBondContact O-N 3.3Å; R556-V574 HydrophobicContact CB-CG1 4.21Å; R556-V574 HydrophobicContact CB-CG2 4.36Å; R556-V574 HydrophobicContact CG-CG1 4.41Å; R556-V574 HydrophobicContact CG-CG2 3.73Å; K572-V574 HydrophobicContact CD-CG1 4.5Å; K572-V574 HydrophobicContact CG-CG1 4.1Å; V574-S576 PolarHBondContact O-N 3.49Å
575	Q	84.1	Confident	93.3	Very high	150 Å²	150	74.9 Å²	74.9	70%	0.701	39%	0.393	S	S	*	.			trans	-62.6	134.2	170.6	-163.5	150.2	42.7	0	0	110.4	T551	T551-Q575 HydrophobicContact CG2-CG 4.25Å; T551-Q575 WeakPolarHBondContact O-CA 3.37Å
576	S	62.7	Low	93.1	Very high	90 Å²	90	65.5 Å²	65.5	63%	0.629	37%	0.365	S	S	*	.			trans	-64.9	0	-176	57.9	0	0	0	0	113.8	V574	V574-S576 PolarHBondContact O-N 3.49Å

Retrieved 576 of 576 residues in 949.6 ms (Link to these results)

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