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Sialidase-1

Catalyzes the removal of sialic acid (N-acetylneuraminic acid) moieties from glycoproteins and glycolipids. To be active, it is strictly dependent on its presence in the multienzyme complex. Appears to have a preference for alpha 2-3 and alpha 2-6 sialyl linkage.

AlphaFold DB , UniProt , Accession Q99PW3, Species RAT (Rattus norvegicus, Rat), Gene Neu1, Length 409 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	41.5	Very low	50.3	Low	238 Å²	238	136 Å²	136	100%	1.172	82%	0.819	S	S	*	*				0	118.3	0	-85.2	-175.8	-96.4	0	0	107.7
2	V	45.4	Very low	51.3	Low	153 Å²	153	135.3 Å²	135.3	93%	0.927	82%	0.82	S	S	*	*			trans	43.6	128	146.6	-159.9	0	0	0	0	117.2
3	G	41.6	Very low	51.4	Low	66 Å²	66	133.5 Å²	133.5	68%	0.68	81%	0.813	S	S	*	*			cis	160.2	123	15.1	0	0	0	0	0	105.1
4	A	43.4	Very low	51.4	Low	95 Å²	95	132.5 Å²	132.5	79%	0.785	82%	0.815	S	S	*	*				78.6	99.4	105.7	0	0	0	0	0	116.6
5	E	48.5	Very low	51.2	Low	184 Å²	184	136.6 Å²	136.6	86%	0.86	81%	0.811	S	S	*	*				54.6	166.5	120	-80.3	-164.8	151.2	0	0	123.1
6	P	57.6	Low	50.7	Low	102 Å²	102	140.7 Å²	140.7	66%	0.662	81%	0.808	S	S	*	*			cis	-146.2	-160.5	-44.2	42	-23	0	0	0	113.6
7	S	52.4	Low	50.1	Low	106 Å²	106	139.4 Å²	139.4	74%	0.741	80%	0.804	S	S	*	*			trans	94.4	134.7	155.1	73.7	0	0	0	0	118.5
8	R	51.3	Low	49.5	Very low	244 Å²	244	135.8 Å²	135.8	92%	0.921	80%	0.802	S	S	*	*			cis	-167.3	176.5	12.8	-112.3	177.8	-173.5	-167.2	4.2	110.1
9	P	60.3	Low	49.1	Very low	113 Å²	113	141.4 Å²	141.4	73%	0.734	81%	0.808	S	S	*	*			trans	-126.4	-145.3	-142	47	-28.4	0	0	0	112.9
10	P	60.2	Low	48.7	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	81%	0.812	S	S	*	*			cis	-130.6	169.6	-26.4	34.8	-15.7	0	0	0	115.3
11	G	51	Low	48.2	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	81%	0.809	S	S	*	*			trans	-157.6	134.7	160.9	0	0	0	0	0	110.7
12	P	61.8	Low	48.3	Very low	128 Å²	128	141.1 Å²	141.1	83%	0.831	80%	0.799	S	S	*	*			trans	-108.3	-171.2	-164.1	48.2	-39.1	0	0	0	112.1
13	P	53.7	Low	48.1	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	79%	0.789	S	S	*	*				-124.4	160.3	-104.6	30.4	-8.6	0	0	0	114.8
14	S	51.1	Low	48.1	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	80%	0.802	S	S	*	*			trans	176.5	117.6	131.4	62.6	0	0	0	0	113.5
15	Y	47.5	Very low	48.1	Very low	194 Å²	194	142.2 Å²	142.2	76%	0.761	80%	0.799	S	S	*	*			trans	-51.9	171.8	156.4	-72.3	-70.4	0	0	0	116.5
16	W	43.4	Very low	47.8	Very low	202 Å²	202	138.4 Å²	138.4	77%	0.765	80%	0.798	S	S	*	*			cis	-156.5	137.4	-0.2	-107.3	110.1	0	0	0	107.2
17	T	41.7	Very low	47.3	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	80%	0.799	S	S	*	*			trans	28.5	137	146.2	61.3	0	0	0	0	124.6
18	G	39.2	Very low	47.1	Very low	75 Å²	75	144.2 Å²	144.2	77%	0.773	81%	0.805	S	S	*	*				134	109	113.7	0	0	0	0	0	119.6
19	R	41.6	Very low	46.8	Very low	242 Å²	242	139.5 Å²	139.5	91%	0.913	80%	0.797	S	S	*	*			trans	76.7	124.5	148.5	-84.7	-179.3	171.4	-168.9	-1.5	122.1
20	R	41.1	Very low	46	Very low	236 Å²	236	141.1 Å²	141.1	89%	0.891	80%	0.799	S	S	*	*			trans	68.7	101.1	144.5	-79.3	-176	170.4	-172.9	-3.8	118.9
21	G	38.2	Very low	45.2	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	80%	0.801	S	S	*	*			trans	-85.6	141.7	152	0	0	0	0	0	111.8
22	Q	42.7	Very low	44.9	Very low	206 Å²	206	144.9 Å²	144.9	96%	0.963	80%	0.799	S	S	*	*				165	127.5	120.8	-88	-174.5	-1.1	0	0	108.9
23	G	41.9	Very low	44	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	80%	0.795	S	S	*	*			trans	116.4	81.5	153	0	0	0	0	0	118
24	L	40.2	Very low	43.4	Very low	180 Å²	180	142.9 Å²	142.9	94%	0.942	80%	0.796	S	S	*	*				34.2	108.9	128	-65.3	157.1	0	0	0	118.8
25	A	43.7	Very low	42.8	Very low	87 Å²	87	142 Å²	142	72%	0.719	80%	0.796	S	S	*	*				175.6	103.9	123.5	0	0	0	0	0	109.7	I27	A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.14Å
26	A	44	Very low	42.1	Very low	103 Å²	103	135.3 Å²	135.3	85%	0.851	79%	0.786	S	S	*	*			trans	-73.9	97.3	164.5	0	0	0	0	0	108.2
27	I	47	Very low	41.8	Very low	134 Å²	134	130 Å²	130	69%	0.687	78%	0.78	S	S	*	*			trans	-97	94.6	163.5	-64.3	175.2	0	0	0	106.2	A25 L29	A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.14Å; I27-L29 VanDerWaalsContact C-N 3.26Å; I27-L29 HydrophobicContact CG2-CD1 4.1Å; I27-L29 HydrophobicContact CG2-CG 4.02Å; I27-L29 PolarHBondContact O-N 2.83Å
28	F	48	Very low	41.5	Very low	197 Å²	197	133.8 Å²	133.8	86%	0.864	79%	0.789	S	S	*	*			trans	-68.7	92.9	158.4	-111.8	-90.6	0	0	0	106.5	L30	F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 3.14Å
29	L	45	Very low	41.4	Very low	145 Å²	145	134.8 Å²	134.8	76%	0.759	79%	0.79	S	S	*	*			trans	-66.3	98.6	161.9	-97.7	141.3	0	0	0	106.6	I27 L31	I27-L29 VanDerWaalsContact C-N 3.26Å; I27-L29 HydrophobicContact CG2-CD1 4.1Å; I27-L29 HydrophobicContact CG2-CG 4.02Å; I27-L29 PolarHBondContact O-N 2.83Å; L29-L31 VanDerWaalsContact C-N 3.26Å; L29-L31 PolarHBondContact O-N 2.88Å
30	L	43.7	Very low	41.4	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	79%	0.785	S	S	*	*			trans	-52.7	97.7	156.3	-97.9	135.5	0	0	0	107	F28 V32	F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 3.14Å; L30-V32 HydrophobicContact CB-CG2 4.39Å; L30-V32 HydrophobicContact CD2-CG2 4.44Å; L30-V32 PolarHBondContact O-N 3.04Å
31	L	42.7	Very low	41.8	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	77%	0.769	S	S	*	*			trans	-63.7	81.5	154.2	-85.6	153.9	0	0	0	106.1	L29 S33	L29-L31 VanDerWaalsContact C-N 3.26Å; L29-L31 PolarHBondContact O-N 2.88Å; L31-S33 PolarHBondContact O-N 2.8Å
32	V	45.2	Very low	42.5	Very low	112 Å²	112	126.8 Å²	126.8	68%	0.679	75%	0.751	S	S	*	*			trans	-64.3	96.4	154.2	177.7	0	0	0	0	104	L30 A34	L30-V32 HydrophobicContact CB-CG2 4.39Å; L30-V32 HydrophobicContact CD2-CG2 4.44Å; L30-V32 PolarHBondContact O-N 3.04Å; V32-A34 PolarHBondContact O-N 3.08Å
33	S	42.7	Very low	43.5	Very low	106 Å²	106	122.2 Å²	122.2	74%	0.741	73%	0.733	S	S	*	*			trans	-55.7	93.6	156.5	30.8	0	0	0	0	106.3	L31 A35	L31-S33 PolarHBondContact O-N 2.8Å; S33-A35 PolarHBondContact O-N 2.96Å
34	A	41	Very low	45.1	Very low	91 Å²	91	122.1 Å²	122.1	75%	0.752	72%	0.716	S	S	*	*			trans	-67.4	68.1	156.4	0	0	0	0	0	107.1	V32 G36	V32-A34 PolarHBondContact O-N 3.08Å; A34-G36 PolarHBondContact O-N 2.72Å
35	A	37.8	Very low	47.2	Very low	101 Å²	101	116 Å²	116	84%	0.835	68%	0.682	S	S	*	*			trans	-73	62.3	148.9	0	0	0	0	0	106.2	S33	S33-A35 PolarHBondContact O-N 2.96Å
36	G	33.1	Very low	49.1	Very low	53 Å²	53	116.5 Å²	116.5	55%	0.546	68%	0.68	S	S	.	*			trans	-89.4	102.6	179.1	0	0	0	0	0	108.8	A34 E38	A34-G36 PolarHBondContact O-N 2.72Å; G36-E38 PolarHBondContact O-N 3.37Å
37	S	36.6	Very low	51.2	Low	92 Å²	92	115.7 Å²	115.7	64%	0.643	66%	0.661	S	S	*	*			trans	49	52.3	143	-171.7	0	0	0	0	118.2	A39	S37-A39 VanDerWaalsContact C-N 3.26Å; S37-A39 PolarHBondContact O-N 3.08Å
38	E	36.9	Very low	53.4	Low	198 Å²	198	110 Å²	110	93%	0.925	63%	0.632	S	S	*	*			trans	-89.6	21.3	167.7	-81	-175.6	162.2	0	0	113.6	G36	G36-E38 PolarHBondContact O-N 3.37Å
39	A	36	Very low	55.5	Low	96 Å²	96	107.3 Å²	107.3	79%	0.793	62%	0.623	S	S	*	*	S	Bend	trans	-123.2	26.4	-175.6	0	0	0	0	0	114.7	S37	S37-A39 VanDerWaalsContact C-N 3.26Å; S37-A39 PolarHBondContact O-N 3.08Å
40	R	41.2	Very low	57.9	Low	213 Å²	213	101 Å²	101	80%	0.804	59%	0.59	S	S	*	*	S	Bend	trans	-133.6	8.2	-173.6	-86.5	-170.8	179	175.9	0.2	118.2
41	T	49.7	Very low	60.4	Low	91 Å²	91	97.5 Å²	97.5	56%	0.558	57%	0.572	S	S	*	*			trans	-99.3	-10.9	-174.6	44.7	0	0	0	0	115.7	D43 D44 L47	T41-D43 VanDerWaalsContact C-N 3.32Å; T41-D43 PolarHBondContact O-N 2.87Å; T41-D44 PolarHBondContact O-N 2.6Å; T41-L47 HydrophobicContact CG2-CD1 4.34Å
42	E	53.3	Low	62.9	Low	79 Å²	79	92.4 Å²	92.4	37%	0.369	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10	-169.7	-88.5	176.4	158.2	0	0	116.2	K378 Y406	E42-K378 WeakPolarHBondContact OE1-CD 3.27Å; E42-K378 WeakPolarHBondContact OE2-CD 3.24Å; E42-K378 WeakPolarHBondContact OE2-CE 3.24Å; E42-K378 IonicContact OE2-NZ 2.61Å; E42-K378 PolarHBondContact OE2-NZ 3.32Å; E42-Y406 PolarHBondContact O-OH 2.74Å
43	D	63	Low	65.3	Low	110 Å²	110	89.4 Å²	89.4	59%	0.588	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	15.7	175.7	-64.7	-46.2	0	0	0	112.4	T41 F45 S321	T41-D43 VanDerWaalsContact C-N 3.32Å; T41-D43 PolarHBondContact O-N 2.87Å; D43-F45 PolarHBondContact O-N 3.22Å; D43-S321 WeakPolarHBondContact OD1-CB 3.29Å
44	D	76.7	Confident	67.9	Low	67 Å²	67	86.5 Å²	86.5	36%	0.358	50%	0.504	S	S	.	.			trans	-79.5	91.2	174.2	-168.6	-9.3	0	0	0	109.8	T41 S46 L47	T41-D44 PolarHBondContact O-N 2.6Å; D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact OD1-CB 3.24Å; D44-S46 WeakPolarHBondContact OD1-CB 3.21Å; D44-S46 PolarHBondContact OD1-N 3Å; D44-S46 PolarHBondContact OD1-OG 3.45Å; D44-S46 PolarHBondContact OD2-OG 3.19Å; D44-L47 HydrophobicContact CB-CD1 4.12Å; D44-L47 HydrophobicContact CB-CG 4.19Å; D44-L47 PolarHBondContact O-N 3.04Å
45	F	84.5	Confident	70.6	Confident	53 Å²	53	86.3 Å²	86.3	23%	0.232	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-56.9	-20.2	177.8	-67.6	-8.9	0	0	0	113.4	D43 L47 V48 S321 I323 F344	D43-F45 PolarHBondContact O-N 3.22Å; F45-L47 PolarHBondContact O-N 2.96Å; F45-V48 PolarHBondContact O-N 2.82Å; F45-S321 WeakPolarHBondContact CZ-O 3.26Å; F45-I323 HydrophobicContact CD1-CD1 3.98Å; F45-I323 HydrophobicContact CD1-CG1 3.8Å; F45-I323 HydrophobicContact CE1-CD1 3.9Å; F45-I323 HydrophobicContact CE1-CG1 3.4Å; F45-I323 VanDerWaalsContact CE1-CG1 3.4Å; F45-I323 HydrophobicContact CZ-CG1 3.88Å; F45-F344 HydrophobicContact CB-CD1 3.73Å; F45-F344 HydrophobicContact CB-CD2 4.1Å; F45-F344 HydrophobicContact CB-CE1 3.91Å; F45-F344 HydrophobicContact CB-CE2 4.25Å; F45-F344 HydrophobicContact CB-CG 3.86Å; F45-F344 HydrophobicContact CB-CZ 4.19Å; F45-F344 HydrophobicContact CD1-CD1 4.31Å; F45-F344 HydrophobicContact CD2-CB 3.6Å; F45-F344 AromaticContact CD2-CD1 3.7Å; F45-F344 HydrophobicContact CD2-CD1 3.7Å; F45-F344 AromaticContact CD2-CG 3.74Å; F45-F344 HydrophobicContact CD2-CG 3.74Å; F45-F344 HydrophobicContact CE2-CB 4.1Å; F45-F344 HydrophobicContact CE2-CD1 4.32Å; F45-F344 HydrophobicContact CG-CB 4.37Å; F45-F344 AromaticContact CG-CD1 3.66Å; F45-F344 HydrophobicContact CG-CD1 3.66Å; F45-F344 HydrophobicContact CG-CE1 4.17Å; F45-F344 HydrophobicContact CG-CG 4.01Å; F45-F344 VanDerWaalsContact O-CZ 3.26Å; F45-F344 WeakPolarHBondContact O-CZ 3.42Å
46	S	83.6	Confident	73.4	Confident	97 Å²	97	83.6 Å²	83.6	68%	0.678	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-68.8	-17.5	176	76.3	0	0	0	0	113.8	D44	D44-S46 PolarHBondContact O-N 3.36Å; D44-S46 VanDerWaalsContact OD1-CB 3.24Å; D44-S46 WeakPolarHBondContact OD1-CB 3.21Å; D44-S46 PolarHBondContact OD1-N 3Å; D44-S46 PolarHBondContact OD1-OG 3.45Å; D44-S46 PolarHBondContact OD2-OG 3.19Å
47	L	88.4	Confident	76.5	Confident	85 Å²	85	85.8 Å²	85.8	45%	0.445	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-92.2	-6.6	177.9	-59.1	-179.9	0	0	0	113.4	T41 D44 F45 Q49 Y406	T41-L47 HydrophobicContact CG2-CD1 4.34Å; D44-L47 HydrophobicContact CB-CD1 4.12Å; D44-L47 HydrophobicContact CB-CG 4.19Å; D44-L47 PolarHBondContact O-N 3.04Å; F45-L47 PolarHBondContact O-N 2.96Å; L47-Q49 PolarHBondContact O-N 3.29Å; L47-Q49 VanDerWaalsContact O-N 3.12Å; L47-Y406 HydrophobicContact CB-CD1 3.93Å; L47-Y406 HydrophobicContact CB-CE1 4.28Å
48	V	91.9	Very high	79.4	Confident	15 Å²	15	81.6 Å²	81.6	9%	0.091	43%	0.427	C	S	.	.			trans	-68.8	112.8	-176.7	171.9	0	0	0	0	109.5	F45 P50 I323 F344 V405 Y406	F45-V48 PolarHBondContact O-N 2.82Å; V48-P50 HydrophobicContact CG1-CG 4.11Å; V48-I323 HydrophobicContact CG2-CD1 3.68Å; V48-F344 HydrophobicContact CB-CE1 3.88Å; V48-F344 HydrophobicContact CB-CZ 3.72Å; V48-F344 HydrophobicContact CG1-CE1 3.95Å; V48-F344 HydrophobicContact CG1-CZ 3.98Å; V48-F344 HydrophobicContact CG2-CE1 3.93Å; V48-F344 HydrophobicContact CG2-CZ 4.21Å; V48-V405 HydrophobicContact CG1-CG1 4.09Å; V48-V405 HydrophobicContact CG2-CG1 4.26Å; V48-Y406 HydrophobicContact CG2-CD1 4.08Å; V48-Y406 HydrophobicContact CG2-CE1 3.54Å
49	Q	93.2	Very high	82.4	Confident	141 Å²	141	72.2 Å²	72.2	66%	0.659	38%	0.383	S	S	*	.			trans	-140	80.6	178.7	-171.3	175.5	38.7	0	0	109.1	L47 L51 V405 G407	L47-Q49 PolarHBondContact O-N 3.29Å; L47-Q49 VanDerWaalsContact O-N 3.12Å; Q49-L51 PolarHBondContact O-N 3Å; Q49-V405 CarbonylContact C-O 3.36Å; Q49-V405 VanDerWaalsContact C-O 3.29Å; Q49-V405 PolarHBondContact N-O 3.3Å; Q49-G407 WeakPolarHBondContact O-CA 3.23Å; Q49-G407 PolarHBondContact O-N 3.09Å
50	P	95.1	Very high	85.3	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.071	36%	0.357	C	S	.	.			trans	-56.6	124.8	-176.2	-28.3	38.1	0	0	0	112.2	V48 F325 L340 W342 V355 I403 S404	V48-P50 HydrophobicContact CG1-CG 4.11Å; P50-F325 HydrophobicContact CG-CE1 4.08Å; P50-L340 HydrophobicContact CB-CD2 4.3Å; P50-W342 HydrophobicContact CB-CZ3 4.33Å; P50-W342 HydrophobicContact CG-CD2 3.87Å; P50-W342 HydrophobicContact CG-CE3 3.79Å; P50-W342 HydrophobicContact CG-CH2 4.06Å; P50-W342 HydrophobicContact CG-CZ2 4.11Å; P50-W342 HydrophobicContact CG-CZ3 3.9Å; P50-V355 HydrophobicContact CB-CG2 4.05Å; P50-V355 WeakPolarHBondContact O-CG2 3.34Å; P50-I403 HydrophobicContact CB-CG2 3.74Å; P50-S404 VanDerWaalsContact CA-O 3.29Å; P50-S404 WeakPolarHBondContact CA-O 3.44Å
51	L	94.9	Very high	88	Confident	74 Å²	74	60.2 Å²	60.2	39%	0.387	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.1	179.8	178.9	65.8	0	0	0	110.3	Q49 T53 I403 S404 L409	Q49-L51 PolarHBondContact O-N 3Å; L51-T53 WeakPolarHBondContact O-CG2 3.36Å; L51-T53 PolarHBondContact O-N 2.72Å; L51-I403 CarbonylContact O-C 3.57Å; L51-I403 VanDerWaalsContact O-CA 3.27Å; L51-I403 WeakPolarHBondContact O-CA 3.43Å; L51-S404 PolarHBondContact N-O 3.27Å; L51-S404 PolarHBondContact O-N 3.48Å; L51-L409 HydrophobicContact CD2-CD2 4.02Å; L51-L409 HydrophobicContact CD2-CG 4.35Å
52	V	96.8	Very high	90.2	Very high	55 Å²	55	58.1 Å²	58.1	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	117	171	180	0	0	0	0	108.7	V355 L357 V401 K402 I403	V52-V355 HydrophobicContact CG2-CG1 3.86Å; V52-L357 HydrophobicContact CG2-CD2 3.92Å; V52-V401 HydrophobicContact CG1-CB 4.17Å; V52-V401 HydrophobicContact CG1-CG1 4.04Å; V52-K402 WeakPolarHBondContact CA-O 3.18Å; V52-I403 HydrophobicContact CG2-CD1 4.37Å; V52-I403 HydrophobicContact CG2-CG1 4.09Å
53	T	95.5	Very high	91.9	Very high	50 Å²	50	60.5 Å²	60.5	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-20.4	-178.9	61.1	0	0	0	0	112.6	L51 K402 L409	L51-T53 WeakPolarHBondContact O-CG2 3.36Å; L51-T53 PolarHBondContact O-N 2.72Å; T53-K402 PolarHBondContact N-O 3.14Å; T53-K402 PolarHBondContact OG1-O 2.57Å; T53-L409 HydrophobicContact CG2-CD2 3.79Å
54	M	96.2	Very high	92.8	Very high	44 Å²	44	61.5 Å²	61.5	22%	0.217	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	146.4	177.8	178.8	-179.4	64.2	0	0	110.4	Q56 G112 M400 V401 K402	M54-Q56 HydrophobicContact CE-CG 4.25Å; M54-Q56 HydrophobicContact CG-CG 4.03Å; M54-Q56 HydrophobicContact SD-CG 3.96Å; M54-Q56 PolarHBondContact SD-NE2 2.95Å; M54-Q56 VanDerWaalsContact SD-NE2 3.41Å; M54-G112 WeakPolarHBondContact CE-O 3.43Å; M54-M400 HydrophobicContact CE-CE 3.95Å; M54-V401 CarbonylContact O-C 3.56Å; M54-V401 VanDerWaalsContact O-CA 3.3Å; M54-V401 WeakPolarHBondContact O-CA 3.47Å; M54-K402 HydrophobicContact CB-CB 4.14Å; M54-K402 HydrophobicContact CE-CB 3.92Å; M54-K402 HydrophobicContact CE-CD 4.02Å; M54-K402 PolarHBondContact N-O 3.12Å; M54-K402 PolarHBondContact O-N 1.99Å
55	E	97.6	Very high	93.2	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	164	-172.2	-171.8	165.5	0	0	109.4	Y387 K389 S399 M400 V401	E55-Y387 PolarHBondContact OE1-OH 2.89Å; E55-K389 VanDerWaalsContact OE1-CE 3.31Å; E55-K389 WeakPolarHBondContact OE1-CE 3.47Å; E55-K389 IonicContact OE1-NZ 2.7Å; E55-K389 PolarHBondContact OE1-NZ 3.02Å; E55-K389 IonicContact OE2-NZ 2.71Å; E55-S399 WeakPolarHBondContact OE1-CB 3.37Å; E55-S399 PolarHBondContact OE1-OG 2.74Å; E55-M400 CarbonylContact C-O 3.29Å; E55-M400 WeakPolarHBondContact CA-O 3.48Å; E55-V401 HydrophobicContact CB-CG1 3.92Å; E55-V401 HydrophobicContact CG-CG1 3.74Å
56	Q	97.9	Very high	93.1	Very high	43 Å²	43	60.5 Å²	60.5	20%	0.201	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132	172.7	-61.9	-154.6	-13	0	0	112.2	M54 L58 G112 S113 S399 M400	M54-Q56 HydrophobicContact CE-CG 4.25Å; M54-Q56 HydrophobicContact CG-CG 4.03Å; M54-Q56 HydrophobicContact SD-CG 3.96Å; M54-Q56 PolarHBondContact SD-NE2 2.95Å; M54-Q56 VanDerWaalsContact SD-NE2 3.41Å; Q56-L58 HydrophobicContact CB-CD2 4.07Å; Q56-L58 PolarHBondContact O-N 2.93Å; Q56-G112 PolarHBondContact NE2-O 3.26Å; Q56-G112 VanDerWaalsContact NE2-O 3.08Å; Q56-G112 PolarHBondContact OE1-O 3.11Å; Q56-S113 PolarHBondContact NE2-O 3.01Å; Q56-S399 CarbonylContact O-C 3.56Å; Q56-S399 VanDerWaalsContact O-CA 3.29Å; Q56-S399 WeakPolarHBondContact O-CA 3.45Å; Q56-M400 HydrophobicContact CB-CE 4.49Å; Q56-M400 HydrophobicContact CG-CE 4.47Å; Q56-M400 PolarHBondContact N-O 3.41Å; Q56-M400 PolarHBondContact O-N 2.84Å
57	L	97.8	Very high	93.1	Very high	99 Å²	99	60.4 Å²	60.4	52%	0.518	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.5	171.6	-175.7	62.6	0	0	0	109.3	V60	L57-V60 HydrophobicContact CD1-CG2 4.11Å; L57-V60 HydrophobicContact CD2-CG2 3.52Å; L57-V60 HydrophobicContact CG-CG2 3.82Å
58	L	98.2	Very high	93.6	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-46.8	-177	-60.1	-162.3	0	0	0	112	Q56 A86 R106 W115 L386 I398 M400	Q56-L58 HydrophobicContact CB-CD2 4.07Å; Q56-L58 PolarHBondContact O-N 2.93Å; L58-A86 HydrophobicContact CD1-CB 3.78Å; L58-R106 PolarHBondContact O-NE 3.14Å; L58-R106 PolarHBondContact O-NH1 3.12Å; L58-R106 PolarHBondContact O-NH2 3.08Å; L58-W115 HydrophobicContact CD1-CD2 4.25Å; L58-W115 HydrophobicContact CD1-CE3 4.49Å; L58-W115 HydrophobicContact CD1-CH2 4.19Å; L58-W115 HydrophobicContact CD1-CZ2 3.94Å; L58-W115 HydrophobicContact CD1-CZ3 4.48Å; L58-W115 HydrophobicContact CD2-CD2 4.06Å; L58-W115 HydrophobicContact CD2-CG 3.94Å; L58-W115 HydrophobicContact CD2-CZ2 4.49Å; L58-L386 HydrophobicContact CD1-CD1 3.58Å; L58-L386 HydrophobicContact CG-CD1 4.28Å; L58-I398 PolarHBondContact N-O 3.32Å; L58-M400 HydrophobicContact CD1-CB 4.08Å; L58-M400 HydrophobicContact CG-CB 4.22Å
59	W	98.3	Very high	93.8	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.5	179.6	-63.6	-78.6	0	0	0	111.4	F71 A86 A88 A104 R106 T118 L386 S397 I398	W59-F71 HydrophobicContact CB-CB 3.91Å; W59-F71 HydrophobicContact CB-CD1 4.06Å; W59-F71 HydrophobicContact CB-CD2 3.72Å; W59-F71 HydrophobicContact CB-CE2 4.22Å; W59-F71 HydrophobicContact CB-CG 3.63Å; W59-F71 AromaticContact CD1-CD1 3.79Å; W59-F71 AromaticContact CD1-CE1 3.55Å; W59-F71 AromaticContact CD1-CZ 3.75Å; W59-F71 HydrophobicContact CD2-CD1 4.4Å; W59-F71 HydrophobicContact CG-CB 4.46Å; W59-F71 AromaticContact CG-CD1 3.84Å; W59-F71 HydrophobicContact CG-CD1 3.84Å; W59-F71 HydrophobicContact CG-CD2 4.28Å; W59-F71 HydrophobicContact CG-CE1 4.08Å; W59-F71 AromaticContact CG-CG 3.94Å; W59-F71 HydrophobicContact CG-CG 3.94Å; W59-F71 HydrophobicContact CG-CZ 4.41Å; W59-F71 AromaticContact NE1-CE1 3.99Å; W59-A86 HydrophobicContact CH2-CB 3.74Å; W59-A86 WeakPolarHBondContact CH2-O 3.33Å; W59-A86 HydrophobicContact CZ3-CB 4.09Å; W59-A88 HydrophobicContact CE3-CB 4.15Å; W59-A88 HydrophobicContact CH2-CB 4.33Å; W59-A88 HydrophobicContact CZ3-CB 4.04Å; W59-A104 HydrophobicContact CZ2-CB 4.35Å; W59-R106 HydrophobicContact CH2-CB 4.46Å; W59-R106 HydrophobicContact CZ2-CB 4.06Å; W59-R106 HydrophobicContact CZ2-CG 3.7Å; W59-T118 PolarHBondContact NE1-OG1 3.26Å; W59-T118 VanDerWaalsContact NE1-OG1 3.09Å; W59-L386 HydrophobicContact CZ3-CD2 4.33Å; W59-S397 CarbonylContact O-C 3.58Å; W59-S397 WeakPolarHBondContact O-CA 2.91Å; W59-S397 WeakPolarHBondContact O-CB 2.99Å; W59-I398 HydrophobicContact CB-CB 4.47Å; W59-I398 HydrophobicContact CE3-CB 3.94Å; W59-I398 HydrophobicContact CE3-CD1 4.19Å; W59-I398 HydrophobicContact CE3-CG2 3.84Å; W59-I398 HydrophobicContact CZ3-CG2 4.16Å; W59-I398 PolarHBondContact N-O 2.97Å; W59-I398 VanDerWaalsContact N-O 3.15Å; W59-I398 PolarHBondContact O-N 2.86Å
60	V	97.5	Very high	94.1	Very high	39 Å²	39	51.2 Å²	51.2	24%	0.236	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.5	173.2	-176.3	0	0	0	0	107.3	L57	L57-V60 HydrophobicContact CD1-CG2 4.11Å; L57-V60 HydrophobicContact CD2-CG2 3.52Å; L57-V60 HydrophobicContact CG-CG2 3.82Å
61	S	97.6	Very high	94.2	Very high	18 Å²	18	50.8 Å²	50.8	13%	0.126	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	161.7	174.6	-62.4	0	0	0	0	110.7	D69 T70 F71 T395 E396	S61-D69 CarbonylContact C-O 3.53Å; S61-T70 WeakPolarHBondContact OG-CA 3.5Å; S61-F71 PolarHBondContact OG-N 3.17Å; S61-F71 VanDerWaalsContact OG-N 3.1Å; S61-T395 VanDerWaalsContact CB-O 3.31Å; S61-T395 WeakPolarHBondContact CB-O 3.42Å; S61-T395 PolarHBondContact OG-O 2.88Å; S61-E396 WeakPolarHBondContact CB-O 3.38Å; S61-E396 PolarHBondContact N-O 2.82Å
62	G	95.7	Very high	94.4	Very high	47 Å²	47	47.7 Å²	47.7	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.2	40.2	178.3	0	0	0	0	0	114.3	Q64 D69	G62-Q64 VanDerWaalsContact C-N 3.27Å; G62-Q64 PolarHBondContact O-N 3.22Å; G62-D69 PolarHBondContact N-O 3.39Å
63	K	89.5	Confident	94.5	Very high	129 Å²	129	45.5 Å²	45.5	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	32.6	171.9	-56.5	179.4	-177.2	176	0	114.5	V68	K63-V68 WeakPolarHBondContact CA-O 3.31Å; K63-V68 PolarHBondContact N-O 3.49Å
64	Q	82.2	Confident	94.6	Very high	132 Å²	132	43.3 Å²	43.3	62%	0.617	25%	0.25	S	C	*	.			trans	-85	-25.2	176.2	-59.8	-169	3.7	0	0	113	G62	G62-Q64 VanDerWaalsContact C-N 3.27Å; G62-Q64 PolarHBondContact O-N 3.22Å
65	I	85	Confident	94.7	Very high	41 Å²	41	41.2 Å²	41.2	21%	0.21	24%	0.239	C	C	.	.	S	Bend	trans	-123.7	105.8	-178.5	-60.8	171.6	0	0	0	107.9	V68 F71 T118 F120	I65-V68 WeakPolarHBondContact O-CB 3.4Å; I65-V68 WeakPolarHBondContact O-CG2 3.46Å; I65-V68 PolarHBondContact O-N 3.05Å; I65-F71 HydrophobicContact CB-CE2 4.28Å; I65-F71 HydrophobicContact CB-CZ 4.01Å; I65-F71 HydrophobicContact CD1-CE2 4.44Å; I65-F71 HydrophobicContact CD1-CZ 4.4Å; I65-F71 HydrophobicContact CG2-CZ 4.26Å; I65-T118 HydrophobicContact CG2-CG2 4.41Å; I65-F120 HydrophobicContact CG2-CZ 4.45Å
66	G	81.7	Confident	94.8	Very high	57 Å²	57	37 Å²	37	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	-147.4	-172.9	0	0	0	0	0	112	V68	G66-V68 VanDerWaalsContact C-N 3.3Å
67	S	84.9	Confident	94.8	Very high	96 Å²	96	35.4 Å²	35.4	67%	0.671	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	24.1	175.6	-54.4	0	0	0	0	113
68	V	97.2	Very high	94.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.			trans	-82.4	121.2	-175.6	-179.7	0	0	0	0	110.6	K63 I65 G66 F71 A90 F102 F120	K63-V68 WeakPolarHBondContact CA-O 3.31Å; K63-V68 PolarHBondContact N-O 3.49Å; I65-V68 WeakPolarHBondContact O-CB 3.4Å; I65-V68 WeakPolarHBondContact O-CG2 3.46Å; I65-V68 PolarHBondContact O-N 3.05Å; G66-V68 VanDerWaalsContact C-N 3.3Å; V68-F71 HydrophobicContact CB-CE1 4.43Å; V68-F71 HydrophobicContact CB-CE2 4.01Å; V68-F71 HydrophobicContact CB-CZ 3.79Å; V68-F71 HydrophobicContact CG1-CD1 4.22Å; V68-F71 HydrophobicContact CG1-CD2 3.99Å; V68-F71 HydrophobicContact CG1-CE1 3.88Å; V68-F71 HydrophobicContact CG1-CE2 3.63Å; V68-F71 HydrophobicContact CG1-CG 4.28Å; V68-F71 HydrophobicContact CG1-CZ 3.56Å; V68-F71 HydrophobicContact CG2-CE1 4.45Å; V68-F71 HydrophobicContact CG2-CZ 4.06Å; V68-A90 HydrophobicContact CB-CB 4.42Å; V68-A90 HydrophobicContact CG1-CB 3.72Å; V68-A90 HydrophobicContact CG2-CB 3.78Å; V68-F102 HydrophobicContact CG2-CD2 4.08Å; V68-F102 HydrophobicContact CG2-CE2 4.29Å; V68-F120 HydrophobicContact CG2-CE1 3.97Å; V68-F120 HydrophobicContact CG2-CZ 3.88Å
69	D	97.7	Very high	94.6	Very high	39 Å²	39	31.4 Å²	31.4	21%	0.209	19%	0.194	C	C	.	.			trans	-74.9	-53	176.4	-177.8	-94	0	0	0	111.8	S61 G62 R91 K92 S94	S61-D69 CarbonylContact C-O 3.53Å; G62-D69 PolarHBondContact N-O 3.39Å; D69-R91 PolarHBondContact N-O 2.04Å; D69-K92 WeakPolarHBondContact CB-O 3.44Å; D69-K92 PolarHBondContact N-O 3.43Å; D69-S94 WeakPolarHBondContact OD1-CA 3.26Å
70	T	98.4	Very high	94.3	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.6	-173.6	-61.5	0	0	0	0	111.3	S61 R72 R91 A95	S61-T70 WeakPolarHBondContact OG-CA 3.5Å; T70-R72 HydrophobicContact CG2-CG 3.74Å; T70-R91 PolarHBondContact N-O 3.06Å; T70-R91 VanDerWaalsContact N-O 3.14Å; T70-R91 WeakPolarHBondContact O-CB 3.48Å; T70-R91 PolarHBondContact O-N 3.08Å; T70-A95 HydrophobicContact CG2-CB 3.84Å
71	F	98.5	Very high	94	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	168.7	-65.8	-89.9	0	0	0	110.6	W59 S61 I65 V68 A88 E89 A90 A104 I398	W59-F71 HydrophobicContact CB-CB 3.91Å; W59-F71 HydrophobicContact CB-CD1 4.06Å; W59-F71 HydrophobicContact CB-CD2 3.72Å; W59-F71 HydrophobicContact CB-CE2 4.22Å; W59-F71 HydrophobicContact CB-CG 3.63Å; W59-F71 AromaticContact CD1-CD1 3.79Å; W59-F71 AromaticContact CD1-CE1 3.55Å; W59-F71 AromaticContact CD1-CZ 3.75Å; W59-F71 HydrophobicContact CD2-CD1 4.4Å; W59-F71 HydrophobicContact CG-CB 4.46Å; W59-F71 AromaticContact CG-CD1 3.84Å; W59-F71 HydrophobicContact CG-CD1 3.84Å; W59-F71 HydrophobicContact CG-CD2 4.28Å; W59-F71 HydrophobicContact CG-CE1 4.08Å; W59-F71 AromaticContact CG-CG 3.94Å; W59-F71 HydrophobicContact CG-CG 3.94Å; W59-F71 HydrophobicContact CG-CZ 4.41Å; W59-F71 AromaticContact NE1-CE1 3.99Å; S61-F71 PolarHBondContact OG-N 3.17Å; S61-F71 VanDerWaalsContact OG-N 3.1Å; I65-F71 HydrophobicContact CB-CE2 4.28Å; I65-F71 HydrophobicContact CB-CZ 4.01Å; I65-F71 HydrophobicContact CD1-CE2 4.44Å; I65-F71 HydrophobicContact CD1-CZ 4.4Å; I65-F71 HydrophobicContact CG2-CZ 4.26Å; V68-F71 HydrophobicContact CB-CE1 4.43Å; V68-F71 HydrophobicContact CB-CE2 4.01Å; V68-F71 HydrophobicContact CB-CZ 3.79Å; V68-F71 HydrophobicContact CG1-CD1 4.22Å; V68-F71 HydrophobicContact CG1-CD2 3.99Å; V68-F71 HydrophobicContact CG1-CE1 3.88Å; V68-F71 HydrophobicContact CG1-CE2 3.63Å; V68-F71 HydrophobicContact CG1-CG 4.28Å; V68-F71 HydrophobicContact CG1-CZ 3.56Å; V68-F71 HydrophobicContact CG2-CE1 4.45Å; V68-F71 HydrophobicContact CG2-CZ 4.06Å; F71-A88 HydrophobicContact CD1-CB 4.37Å; F71-E89 CarbonylContact C-O 3.57Å; F71-E89 VanDerWaalsContact CA-O 3.24Å; F71-E89 WeakPolarHBondContact CA-O 3.4Å; F71-A90 HydrophobicContact CD1-CB 3.88Å; F71-A90 HydrophobicContact CE1-CB 3.6Å; F71-A90 HydrophobicContact CZ-CB 4.46Å; F71-A104 HydrophobicContact CD1-CB 4.27Å; F71-A104 HydrophobicContact CE1-CB 3.89Å; F71-I398 HydrophobicContact CB-CD1 3.87Å; F71-I398 HydrophobicContact CB-CG1 4.45Å
72	R	98.5	Very high	93.9	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.038	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	172.5	-179.4	-71.2	-146.6	65.1	-137.5	-9.6	112.4	T70 A88 E89 D97 E388 T395	T70-R72 HydrophobicContact CG2-CG 3.74Å; R72-A88 CarbonylContact O-C 3.5Å; R72-A88 WeakPolarHBondContact O-CA 3.45Å; R72-E89 PolarHBondContact N-O 2.92Å; R72-E89 PolarHBondContact O-N 3.48Å; R72-D97 IonicContact NH1-OD1 3.44Å; R72-E388 WeakPolarHBondContact CA-OE1 3.27Å; R72-E388 VanDerWaalsContact CB-OE1 3.26Å; R72-E388 WeakPolarHBondContact CB-OE1 3.24Å; R72-E388 WeakPolarHBondContact CG-OE1 3.21Å; R72-E388 IonicContact CZ-OE1 2.71Å; R72-E388 IonicContact CZ-OE2 3.09Å; R72-E388 IonicContact NE-OE1 3.66Å; R72-E388 PolarHBondContact NE-OE1 3.27Å; R72-E388 IonicContact NE-OE2 3.89Å; R72-E388 IonicContact NH2-OE1 3.45Å; R72-E388 PolarHBondContact NH2-OE1 2.83Å; R72-E388 VanDerWaalsContact NH2-OE1 3.16Å; R72-E388 IonicContact NH2-OE2 2.66Å; R72-E388 PolarHBondContact NH2-OE2 2.81Å; R72-T395 HydrophobicContact CG-CG2 4.3Å
73	I	98.4	Very high	93.9	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.2	67.5	172.3	-41.2	-55.4	0	0	0	110.8	L75 E89 L133 P194 Y364 E388	I73-L75 HydrophobicContact CG2-CD1 3.98Å; I73-L75 WeakPolarHBondContact O-CD1 3.35Å; I73-L75 PolarHBondContact O-N 3.29Å; I73-E89 HydrophobicContact CB-CG 4.09Å; I73-E89 HydrophobicContact CG1-CB 4.46Å; I73-E89 VanDerWaalsContact CG1-CD 3.47Å; I73-E89 HydrophobicContact CG1-CG 3.96Å; I73-L133 HydrophobicContact CG2-CB 4.27Å; I73-P194 HydrophobicContact CG2-CB 3.4Å; I73-P194 VanDerWaalsContact CG2-CB 3.4Å; I73-P194 HydrophobicContact CG2-CG 3.83Å; I73-Y364 HydrophobicContact CD1-CD2 3.49Å; I73-Y364 VanDerWaalsContact CD1-CD2 3.49Å; I73-Y364 HydrophobicContact CD1-CE2 3.38Å; I73-Y364 HydrophobicContact CD1-CG 4.29Å; I73-Y364 HydrophobicContact CG2-CD2 4.35Å; I73-E388 PolarHBondContact N-OE1 2.98Å
74	P	98.7	Very high	94.3	Very high	5 Å²	5	31 Å²	31	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.4	-178.9	27.6	-32.1	0	0	0	111.5	F87 Y364 S366 L386 E388 I398	P74-F87 WeakPolarHBondContact CA-O 3.48Å; P74-Y364 WeakPolarHBondContact CG-O 3.16Å; P74-S366 VanDerWaalsContact O-CB 3.27Å; P74-S366 WeakPolarHBondContact O-CB 3.13Å; P74-L386 HydrophobicContact CB-CB 4.26Å; P74-L386 HydrophobicContact CB-CD2 3.51Å; P74-L386 HydrophobicContact CB-CG 3.6Å; P74-E388 HydrophobicContact CG-CG 4Å; P74-I398 HydrophobicContact CB-CD1 4.34Å; P74-I398 HydrophobicContact CB-CG2 3.97Å
75	L	98.6	Very high	95.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.2	167.6	-68.4	60.1	0	0	0	108.5	I73 A86 F87 L133 G134 V136 L147 G195 L386	I73-L75 HydrophobicContact CG2-CD1 3.98Å; I73-L75 WeakPolarHBondContact O-CD1 3.35Å; I73-L75 PolarHBondContact O-N 3.29Å; L75-A86 CarbonylContact O-C 3.58Å; L75-A86 WeakPolarHBondContact O-CA 3.39Å; L75-F87 HydrophobicContact CB-CB 4.2Å; L75-F87 HydrophobicContact CB-CD2 4.24Å; L75-F87 PolarHBondContact N-O 2.72Å; L75-F87 PolarHBondContact O-N 3.07Å; L75-L133 HydrophobicContact CD1-CD2 3.48Å; L75-L133 VanDerWaalsContact CD1-CD2 3.48Å; L75-L133 HydrophobicContact CD1-CG 3.63Å; L75-L133 HydrophobicContact CD2-CD1 4.18Å; L75-L133 HydrophobicContact CD2-CD2 4.28Å; L75-L133 HydrophobicContact CD2-CG 3.96Å; L75-L133 HydrophobicContact CG-CD2 4.44Å; L75-L133 HydrophobicContact CG-CG 4.46Å; L75-G134 WeakPolarHBondContact CD2-O 3.43Å; L75-V136 HydrophobicContact CB-CG1 4.34Å; L75-V136 HydrophobicContact CD2-CB 4.35Å; L75-V136 HydrophobicContact CD2-CG1 4.33Å; L75-L147 HydrophobicContact CD2-CD1 3.8Å; L75-G195 WeakPolarHBondContact CD2-O 3.38Å; L75-G195 WeakPolarHBondContact CG-O 3.22Å; L75-L386 WeakPolarHBondContact O-CD2 3.45Å
76	I	98.6	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.9	171.9	-167.7	171	0	0	0	110.5	L85 W115 S366 T368 F384 L386 M400	I76-L85 WeakPolarHBondContact CA-O 3.24Å; I76-W115 HydrophobicContact CD1-CH2 4.4Å; I76-S366 WeakPolarHBondContact CG2-O 3.47Å; I76-S366 PolarHBondContact N-OG 3.3Å; I76-T368 HydrophobicContact CB-CG2 4.49Å; I76-T368 HydrophobicContact CD1-CG2 4.2Å; I76-T368 HydrophobicContact CG1-CG2 3.85Å; I76-T368 HydrophobicContact CG2-CG2 4.11Å; I76-F384 HydrophobicContact CD1-CB 3.9Å; I76-L386 HydrophobicContact CB-CB 3.82Å; I76-L386 HydrophobicContact CB-CD2 4.16Å; I76-L386 HydrophobicContact CD1-CB 4.3Å; I76-L386 HydrophobicContact CG2-CB 3.85Å; I76-M400 HydrophobicContact CD1-CG 4.05Å
77	T	98	Very high	96.6	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.049	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.1	174.7	-157.5	0	0	0	0	111.9	L84 L85 F87 V136 N138 V145	T77-L84 WeakPolarHBondContact O-CA 3.46Å; T77-L85 HydrophobicContact CG2-CB 4.13Å; T77-L85 HydrophobicContact CG2-CD1 4.48Å; T77-L85 PolarHBondContact N-O 3.11Å; T77-L85 PolarHBondContact O-N 3.02Å; T77-F87 HydrophobicContact CG2-CE2 4.39Å; T77-V136 HydrophobicContact CG2-CG1 4.06Å; T77-V136 HydrophobicContact CG2-CG2 3.65Å; T77-N138 PolarHBondContact OG1-ND2 3.35Å; T77-V145 HydrophobicContact CG2-CG1 4.48Å
78	A	96.5	Very high	97.2	Very high	14 Å²	14	15.5 Å²	15.5	12%	0.116	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.8	170.4	0	0	0	0	0	109.5	T83 L84 N138 T368 L370	A78-T83 CarbonylContact C-O 3.6Å; A78-T83 WeakPolarHBondContact CA-O 3.13Å; A78-L84 HydrophobicContact CB-CD2 3.96Å; A78-N138 PolarHBondContact O-ND2 3.09Å; A78-T368 HydrophobicContact CB-CG2 4.2Å; A78-T368 WeakPolarHBondContact CB-OG1 3.07Å; A78-T368 PolarHBondContact N-OG1 3.19Å; A78-L370 HydrophobicContact CB-CD2 3.51Å; A78-L370 HydrophobicContact CB-CG 4.18Å
79	T	95.9	Very high	97.3	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.031	8%	0.082	C	C	.	.			trans	-72.8	163.3	173.7	79.6	0	0	0	0	110.3	R81 G82 T83 L85 V145 D171	T79-R81 PolarHBondContact O-N 3.3Å; T79-R81 PolarHBondContact OG1-N 3.26Å; T79-G82 PolarHBondContact O-N 3.46Å; T79-T83 HydrophobicContact CG2-CG2 4.49Å; T79-T83 PolarHBondContact N-O 2.79Å; T79-T83 WeakPolarHBondContact OG1-CB 3.17Å; T79-T83 PolarHBondContact OG1-N 2.95Å; T79-L85 HydrophobicContact CG2-CD1 3.82Å; T79-L85 HydrophobicContact CG2-CG 4.11Å; T79-V145 HydrophobicContact CG2-CG2 3.97Å; T79-D171 VanDerWaalsContact CB-OD1 3.31Å; T79-D171 WeakPolarHBondContact CB-OD1 3.1Å; T79-D171 PolarHBondContact OG1-OD1 3.02Å
80	P	91.1	Very high	97.3	Very high	68 Å²	68	13.9 Å²	13.9	44%	0.442	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.6	174.1	-27.4	36.6	0	0	0	114.5	G82 V140	P80-G82 VanDerWaalsContact C-N 3.31Å; P80-V140 HydrophobicContact CG-CB 4.4Å; P80-V140 HydrophobicContact CG-CG1 4.25Å; P80-V140 HydrophobicContact CG-CG2 4.47Å
81	R	92.5	Very high	97.3	Very high	141 Å²	141	13.7 Å²	13.7	53%	0.532	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4.9	175.4	-73	-174	-83.1	-145.6	-20.1	113.9	T79 T83 D171 T374	T79-R81 PolarHBondContact O-N 3.3Å; T79-R81 PolarHBondContact OG1-N 3.26Å; R81-T83 VanDerWaalsContact C-N 3.25Å; R81-T83 PolarHBondContact O-N 3.02Å; R81-D171 VanDerWaalsContact CZ-CB 3.46Å; R81-D171 IonicContact CZ-OD1 3.6Å; R81-D171 IonicContact NE-OD1 2.71Å; R81-D171 PolarHBondContact NE-OD1 2.92Å; R81-D171 IonicContact NE-OD2 3.82Å; R81-D171 VanDerWaalsContact NH2-N 3.19Å; R81-D171 IonicContact NH2-OD1 2.92Å; R81-T374 WeakPolarHBondContact O-CG2 3.38Å
82	G	93.6	Very high	97.2	Very high	12 Å²	12	14.7 Å²	14.7	12%	0.124	8%	0.075	C	C	.	.	S	Bend	trans	78.2	6.2	-178.1	0	0	0	0	0	114.6	T79 P80	T79-G82 PolarHBondContact O-N 3.46Å; P80-G82 VanDerWaalsContact C-N 3.31Å
83	T	96.9	Very high	97.1	Very high	6 Å²	6	20.5 Å²	20.5	4%	0.037	10%	0.101	C	C	.	.			trans	-74.5	134.2	175.5	-66.7	0	0	0	0	109.8	A78 T79 R81 L85 R107 S108 T109 D171	A78-T83 CarbonylContact C-O 3.6Å; A78-T83 WeakPolarHBondContact CA-O 3.13Å; T79-T83 HydrophobicContact CG2-CG2 4.49Å; T79-T83 PolarHBondContact N-O 2.79Å; T79-T83 WeakPolarHBondContact OG1-CB 3.17Å; T79-T83 PolarHBondContact OG1-N 2.95Å; R81-T83 VanDerWaalsContact C-N 3.25Å; R81-T83 PolarHBondContact O-N 3.02Å; T83-L85 HydrophobicContact CG2-CD2 4.05Å; T83-L85 HydrophobicContact CG2-CG 4.48Å; T83-R107 HydrophobicContact CG2-CG 3.61Å; T83-R107 PolarHBondContact OG1-NH2 2.84Å; T83-S108 CarbonylContact C-O 3.31Å; T83-S108 WeakPolarHBondContact CA-O 3.2Å; T83-S108 WeakPolarHBondContact CG2-O 3.45Å; T83-T109 HydrophobicContact CG2-CG2 4.35Å; T83-D171 WeakPolarHBondContact CB-OD2 3.35Å; T83-D171 PolarHBondContact OG1-OD2 3.31Å
84	L	98.2	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132	171.7	-56.8	176.7	0	0	0	110.1	T77 A78 R107 S108 W115 T368 L370 F384	T77-L84 WeakPolarHBondContact O-CA 3.46Å; A78-L84 HydrophobicContact CB-CD2 3.96Å; L84-R107 CarbonylContact O-C 3.49Å; L84-R107 WeakPolarHBondContact O-CA 3.28Å; L84-S108 PolarHBondContact N-O 2.99Å; L84-S108 PolarHBondContact O-N 2.86Å; L84-W115 HydrophobicContact CB-CH2 3.76Å; L84-W115 HydrophobicContact CB-CZ2 4.47Å; L84-W115 HydrophobicContact CB-CZ3 4.26Å; L84-W115 HydrophobicContact CD1-CH2 4.47Å; L84-W115 HydrophobicContact CD1-CZ2 4.43Å; L84-T368 HydrophobicContact CD2-CG2 3.94Å; L84-L370 HydrophobicContact CD2-CD1 4.31Å; L84-L370 HydrophobicContact CD2-CG 4.46Å; L84-F384 HydrophobicContact CD1-CD1 3.59Å; L84-F384 HydrophobicContact CD1-CD2 4.21Å; L84-F384 HydrophobicContact CD1-CE1 3.53Å; L84-F384 HydrophobicContact CD1-CE2 4.17Å; L84-F384 HydrophobicContact CD1-CG 3.94Å; L84-F384 HydrophobicContact CD1-CZ 3.84Å; L84-F384 HydrophobicContact CD2-CD2 3.94Å; L84-F384 HydrophobicContact CD2-CE2 4.07Å; L84-F384 HydrophobicContact CD2-CG 4.29Å
85	L	98.7	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.4	170.7	-56.7	175.8	0	0	0	108.2	I76 T77 T79 T83 F87 M105 R107 V145	I76-L85 WeakPolarHBondContact CA-O 3.24Å; T77-L85 HydrophobicContact CG2-CB 4.13Å; T77-L85 HydrophobicContact CG2-CD1 4.48Å; T77-L85 PolarHBondContact N-O 3.11Å; T77-L85 PolarHBondContact O-N 3.02Å; T79-L85 HydrophobicContact CG2-CD1 3.82Å; T79-L85 HydrophobicContact CG2-CG 4.11Å; T83-L85 HydrophobicContact CG2-CD2 4.05Å; T83-L85 HydrophobicContact CG2-CG 4.48Å; L85-F87 HydrophobicContact CB-CE2 3.57Å; L85-F87 HydrophobicContact CB-CZ 3.7Å; L85-F87 HydrophobicContact CD1-CZ 4.12Å; L85-M105 HydrophobicContact CD2-SD 4.18Å; L85-R107 HydrophobicContact CD2-CB 3.84Å; L85-R107 HydrophobicContact CD2-CG 3.64Å; L85-V145 HydrophobicContact CD1-CG1 4.1Å; L85-V145 HydrophobicContact CD1-CG2 4.15Å
86	A	98.8	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.8	172.7	0	0	0	0	0	108.6	L58 W59 L75 M105 R106 W115 L386	L58-A86 HydrophobicContact CD1-CB 3.78Å; W59-A86 HydrophobicContact CH2-CB 3.74Å; W59-A86 WeakPolarHBondContact CH2-O 3.33Å; W59-A86 HydrophobicContact CZ3-CB 4.09Å; L75-A86 CarbonylContact O-C 3.58Å; L75-A86 WeakPolarHBondContact O-CA 3.39Å; A86-M105 CarbonylContact O-C 3.56Å; A86-M105 VanDerWaalsContact O-CA 3.22Å; A86-M105 WeakPolarHBondContact O-CA 3.45Å; A86-R106 PolarHBondContact N-O 2.85Å; A86-R106 PolarHBondContact O-N 3Å; A86-W115 HydrophobicContact CB-CE3 4.48Å; A86-W115 HydrophobicContact CB-CH2 3.75Å; A86-W115 HydrophobicContact CB-CZ3 3.63Å; A86-L386 HydrophobicContact CB-CD1 4.37Å; A86-L386 HydrophobicContact CB-CD2 3.91Å
87	F	98.8	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.1	176	-49.2	-96.4	0	0	0	111.3	P74 L75 T77 L85 I103 A104 M105 I121 L133 V136 L147 W175	P74-F87 WeakPolarHBondContact CA-O 3.48Å; L75-F87 HydrophobicContact CB-CB 4.2Å; L75-F87 HydrophobicContact CB-CD2 4.24Å; L75-F87 PolarHBondContact N-O 2.72Å; L75-F87 PolarHBondContact O-N 3.07Å; T77-F87 HydrophobicContact CG2-CE2 4.39Å; L85-F87 HydrophobicContact CB-CE2 3.57Å; L85-F87 HydrophobicContact CB-CZ 3.7Å; L85-F87 HydrophobicContact CD1-CZ 4.12Å; F87-I103 HydrophobicContact CD1-CG2 4.32Å; F87-A104 WeakPolarHBondContact CA-O 3.39Å; F87-M105 HydrophobicContact CD1-CB 3.9Å; F87-M105 HydrophobicContact CD1-CG 3.76Å; F87-M105 HydrophobicContact CE1-CB 4.07Å; F87-M105 HydrophobicContact CE1-CG 3.53Å; F87-M105 HydrophobicContact CE1-SD 3.85Å; F87-M105 HydrophobicContact CZ-CG 4.17Å; F87-M105 HydrophobicContact CZ-SD 4.32Å; F87-I121 HydrophobicContact CD1-CD1 3.91Å; F87-I121 HydrophobicContact CE1-CD1 3.74Å; F87-L133 HydrophobicContact CB-CD2 4.05Å; F87-V136 HydrophobicContact CE2-CB 4.38Å; F87-V136 HydrophobicContact CE2-CG2 3.96Å; F87-V136 HydrophobicContact CZ-CG2 4.43Å; F87-L147 HydrophobicContact CD1-CD2 3.95Å; F87-L147 HydrophobicContact CE1-CD2 4.13Å; F87-W175 AromaticContact CE1-CH2 3.73Å; F87-W175 HydrophobicContact CE1-CH2 3.73Å; F87-W175 AromaticContact CE1-CZ2 3.47Å; F87-W175 HydrophobicContact CE1-CZ2 3.47Å; F87-W175 VanDerWaalsContact CE1-CZ2 3.47Å; F87-W175 AromaticContact CZ-CH2 3.67Å; F87-W175 HydrophobicContact CZ-CH2 3.67Å; F87-W175 AromaticContact CZ-CZ2 3.6Å; F87-W175 HydrophobicContact CZ-CZ2 3.6Å
88	A	98.6	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	151.8	171.5	0	0	0	0	0	110.5	W59 F71 R72 A90 A104 L133 I398	W59-A88 HydrophobicContact CE3-CB 4.15Å; W59-A88 HydrophobicContact CH2-CB 4.33Å; W59-A88 HydrophobicContact CZ3-CB 4.04Å; F71-A88 HydrophobicContact CD1-CB 4.37Å; R72-A88 CarbonylContact O-C 3.5Å; R72-A88 WeakPolarHBondContact O-CA 3.45Å; A88-A90 PolarHBondContact O-N 2.82Å; A88-A104 PolarHBondContact N-O 2.89Å; A88-A104 PolarHBondContact O-N 3.18Å; A88-L133 VanDerWaalsContact C-CD2 3.47Å; A88-I398 HydrophobicContact CB-CD1 3.63Å
89	E	98.5	Very high	96.5	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.5	157.3	-70	-177	-177.7	0	0	109.1	F71 R72 I73 R91 K101 L131 N132 L133	F71-E89 CarbonylContact C-O 3.57Å; F71-E89 VanDerWaalsContact CA-O 3.24Å; F71-E89 WeakPolarHBondContact CA-O 3.4Å; R72-E89 PolarHBondContact N-O 2.92Å; R72-E89 PolarHBondContact O-N 3.48Å; I73-E89 HydrophobicContact CB-CG 4.09Å; I73-E89 HydrophobicContact CG1-CB 4.46Å; I73-E89 VanDerWaalsContact CG1-CD 3.47Å; I73-E89 HydrophobicContact CG1-CG 3.96Å; E89-R91 HydrophobicContact CB-CG 4.25Å; E89-R91 IonicContact OE2-CZ 2.71Å; E89-R91 IonicContact OE2-NE 2.79Å; E89-R91 PolarHBondContact OE2-NE 3.28Å; E89-R91 IonicContact OE2-NH2 3.87Å; E89-R91 PolarHBondContact OE2-NH2 3.42Å; E89-K101 HydrophobicContact CB-CD 4.18Å; E89-K101 HydrophobicContact CG-CD 4.15Å; E89-K101 WeakPolarHBondContact OE2-CD 3.29Å; E89-K101 WeakPolarHBondContact OE2-CE 3.41Å; E89-L131 HydrophobicContact CG-CD1 4.29Å; E89-N132 VanDerWaalsContact OE1-CA 3.29Å; E89-N132 WeakPolarHBondContact OE1-CA 3.42Å; E89-L133 HydrophobicContact CG-CB 3.45Å; E89-L133 VanDerWaalsContact CG-CB 3.45Å; E89-L133 HydrophobicContact CG-CD2 4.47Å; E89-L133 PolarHBondContact OE1-N 3.44Å
90	A	98.2	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	85.5	171.8	0	0	0	0	0	108.5	V68 F71 A88 K92 K101 F102 A104 F120	V68-A90 HydrophobicContact CB-CB 4.42Å; V68-A90 HydrophobicContact CG1-CB 3.72Å; V68-A90 HydrophobicContact CG2-CB 3.78Å; F71-A90 HydrophobicContact CD1-CB 3.88Å; F71-A90 HydrophobicContact CE1-CB 3.6Å; F71-A90 HydrophobicContact CZ-CB 4.46Å; A88-A90 PolarHBondContact O-N 2.82Å; A90-K92 PolarHBondContact O-N 2.89Å; A90-K101 WeakPolarHBondContact O-CA 3.45Å; A90-F102 HydrophobicContact CB-CB 4.01Å; A90-F102 HydrophobicContact CB-CD2 4.31Å; A90-F102 PolarHBondContact N-O 3.38Å; A90-F102 PolarHBondContact O-N 3.08Å; A90-A104 HydrophobicContact CB-CB 3.96Å; A90-F120 HydrophobicContact CB-CD1 4.48Å; A90-F120 HydrophobicContact CB-CE1 4Å
91	R	98	Very high	96.8	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.8	-174.5	-57.5	177.5	172.8	-160.4	-5.4	109.6	D69 T70 E89 S94 A95 S96 D97 K101	D69-R91 PolarHBondContact N-O 2.04Å; T70-R91 PolarHBondContact N-O 3.06Å; T70-R91 VanDerWaalsContact N-O 3.14Å; T70-R91 WeakPolarHBondContact O-CB 3.48Å; T70-R91 PolarHBondContact O-N 3.08Å; E89-R91 HydrophobicContact CB-CG 4.25Å; E89-R91 IonicContact OE2-CZ 2.71Å; E89-R91 IonicContact OE2-NE 2.79Å; E89-R91 PolarHBondContact OE2-NE 3.28Å; E89-R91 IonicContact OE2-NH2 3.87Å; E89-R91 PolarHBondContact OE2-NH2 3.42Å; R91-S94 WeakPolarHBondContact CB-O 3.49Å; R91-A95 PolarHBondContact NH1-O 3.32Å; R91-S96 VanDerWaalsContact CD-O 3.3Å; R91-S96 WeakPolarHBondContact CD-O 3.12Å; R91-S96 PolarHBondContact NH1-O 3.38Å; R91-D97 IonicContact CZ-OD1 3.74Å; R91-D97 IonicContact NH1-OD1 2.84Å; R91-D97 PolarHBondContact NH1-OD1 3.11Å; R91-D97 IonicContact NH2-OD1 3.5Å; R91-D97 PolarHBondContact NH2-OD1 3.32Å; R91-K101 HydrophobicContact CG-CD 3.86Å; R91-K101 HydrophobicContact CG-CG 4.23Å
92	K	96.8	Very high	97	Very high	22 Å²	22	26 Å²	26	10%	0.096	15%	0.149	C	C	.	.	S	Bend	trans	-70.8	-38.2	-166.8	-62.3	-175.8	-166.7	-170.3	0	113.6	D69 A90 A100 F102 D123 G125	D69-K92 WeakPolarHBondContact CB-O 3.44Å; D69-K92 PolarHBondContact N-O 3.43Å; A90-K92 PolarHBondContact O-N 2.89Å; K92-A100 WeakPolarHBondContact CB-O 3.16Å; K92-A100 HydrophobicContact CD-CB 3.85Å; K92-A100 HydrophobicContact CG-CB 4.48Å; K92-A100 WeakPolarHBondContact CG-O 3.31Å; K92-A100 PolarHBondContact N-O 2.65Å; K92-F102 HydrophobicContact CD-CD2 4.32Å; K92-F102 HydrophobicContact CD-CE2 3.78Å; K92-F102 HydrophobicContact CD-CZ 4.05Å; K92-F102 VanDerWaalsContact CE-CE2 3.41Å; K92-F102 VanDerWaalsContact CE-CZ 3.44Å; K92-F102 HydrophobicContact CG-CD2 3.95Å; K92-F102 HydrophobicContact CG-CE2 3.66Å; K92-F102 HydrophobicContact CG-CZ 4.43Å; K92-D123 IonicContact NZ-OD1 2.64Å; K92-D123 PolarHBondContact NZ-OD1 3.38Å; K92-D123 IonicContact NZ-OD2 3.87Å; K92-G125 PolarHBondContact NZ-O 2.7Å
93	K	95.5	Very high	97.3	Very high	133 Å²	133	25.4 Å²	25.4	58%	0.578	14%	0.143	S	C	*	.	S	Bend	trans	-113.1	-31.4	-166.2	-65.4	178.5	-176.3	166.4	0	114.8	E126	K93-E126 VanDerWaalsContact CE-OE2 3.27Å; K93-E126 WeakPolarHBondContact CE-OE2 3.37Å; K93-E126 IonicContact NZ-OE2 3.14Å; K93-E126 PolarHBondContact NZ-OE2 3.19Å
94	S	95.9	Very high	97.3	Very high	51 Å²	51	25.1 Å²	25.1	36%	0.357	14%	0.141	S	C	.	.			trans	-160.4	175.1	-177.2	75.1	0	0	0	0	111	D69 R91 S96	D69-S94 WeakPolarHBondContact OD1-CA 3.26Å; R91-S94 WeakPolarHBondContact CB-O 3.49Å; S94-S96 PolarHBondContact O-N 3.12Å; S94-S96 VanDerWaalsContact OG-CB 3.25Å; S94-S96 WeakPolarHBondContact OG-CB 3.34Å; S94-S96 PolarHBondContact OG-N 2.91Å; S94-S96 VanDerWaalsContact OG-N 3.08Å
95	A	96.5	Very high	97.4	Very high	42 Å²	42	25.5 Å²	25.5	35%	0.347	14%	0.143	S	C	.	.	S	Bend	trans	-74.5	4	169.5	0	0	0	0	0	114.7	T70 R91	T70-A95 HydrophobicContact CG2-CB 3.84Å; R91-A95 PolarHBondContact NH1-O 3.32Å
96	S	96.6	Very high	97.4	Very high	56 Å²	56	27.7 Å²	27.7	39%	0.392	15%	0.151	S	C	.	.			trans	-64.6	150.3	-179.9	-168.8	0	0	0	0	112.7	R91 S94 E98	R91-S96 VanDerWaalsContact CD-O 3.3Å; R91-S96 WeakPolarHBondContact CD-O 3.12Å; R91-S96 PolarHBondContact NH1-O 3.38Å; S94-S96 PolarHBondContact O-N 3.12Å; S94-S96 VanDerWaalsContact OG-CB 3.25Å; S94-S96 WeakPolarHBondContact OG-CB 3.34Å; S94-S96 PolarHBondContact OG-N 2.91Å; S94-S96 VanDerWaalsContact OG-N 3.08Å; S96-E98 PolarHBondContact OG-N 2.91Å
97	D	95.5	Very high	97.3	Very high	71 Å²	71	30.4 Å²	30.4	38%	0.38	16%	0.162	S	C	.	.	S	Bend	trans	-69.7	-25.9	172.5	-63.6	-30.7	0	0	0	111.5	R72 R91 K101 H154	R72-D97 IonicContact NH1-OD1 3.44Å; R91-D97 IonicContact CZ-OD1 3.74Å; R91-D97 IonicContact NH1-OD1 2.84Å; R91-D97 PolarHBondContact NH1-OD1 3.11Å; R91-D97 IonicContact NH2-OD1 3.5Å; R91-D97 PolarHBondContact NH2-OD1 3.32Å; D97-K101 WeakPolarHBondContact O-CE 3.42Å; D97-K101 PolarHBondContact O-NZ 3.41Å; D97-H154 PolarHBondContact O-CE1 2.93Å
98	E	95.1	Very high	97.3	Very high	88 Å²	88	30.5 Å²	30.5	41%	0.411	16%	0.163	S	C	.	.	S	Bend	trans	-84.3	162.4	172.4	-66.1	172.6	-158.7	0	0	112.4	S96 H154 V156	S96-E98 PolarHBondContact OG-N 2.91Å; E98-H154 HydrophobicContact CG-CB 4.31Å; E98-V156 HydrophobicContact CG-CG2 4.35Å
99	G	96.2	Very high	97.2	Very high	19 Å²	19	34.8 Å²	34.8	20%	0.196	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	97.3	174.5	177.6	0	0	0	0	0	114.1	K101 A127 S128 G130	G99-K101 WeakPolarHBondContact O-CG 3.13Å; G99-K101 PolarHBondContact O-NZ 3.39Å; G99-A127 CarbonylContact C-O 3.53Å; G99-A127 VanDerWaalsContact C-O 3.31Å; G99-S128 VanDerWaalsContact CA-O 3.23Å; G99-S128 WeakPolarHBondContact CA-O 3.47Å; G99-S128 PolarHBondContact N-O 3.41Å; G99-G130 WeakPolarHBondContact O-CA 3.5Å; G99-G130 PolarHBondContact O-N 2.89Å
100	A	96.7	Very high	97.1	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.033	20%	0.202	C	C	.	.			trans	-70.6	139.9	-176.5	0	0	0	0	0	112.5	K92 D124 G125 A127	K92-A100 WeakPolarHBondContact CB-O 3.16Å; K92-A100 HydrophobicContact CD-CB 3.85Å; K92-A100 HydrophobicContact CG-CB 4.48Å; K92-A100 WeakPolarHBondContact CG-O 3.31Å; K92-A100 PolarHBondContact N-O 2.65Å; A100-D124 VanDerWaalsContact CA-OD1 3.23Å; A100-D124 WeakPolarHBondContact CA-OD1 3.35Å; A100-D124 WeakPolarHBondContact CB-OD1 3.29Å; A100-G125 VanDerWaalsContact CB-O 3.24Å; A100-G125 WeakPolarHBondContact CB-O 3.14Å; A100-A127 PolarHBondContact N-O 2.91Å
101	K	97.5	Very high	96.8	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.9	-177.2	-38.8	-175.1	-172.3	69.3	0	110.8	E89 A90 R91 D97 G99 D124 L131	E89-K101 HydrophobicContact CB-CD 4.18Å; E89-K101 HydrophobicContact CG-CD 4.15Å; E89-K101 WeakPolarHBondContact OE2-CD 3.29Å; E89-K101 WeakPolarHBondContact OE2-CE 3.41Å; A90-K101 WeakPolarHBondContact O-CA 3.45Å; R91-K101 HydrophobicContact CG-CD 3.86Å; R91-K101 HydrophobicContact CG-CG 4.23Å; D97-K101 WeakPolarHBondContact O-CE 3.42Å; D97-K101 PolarHBondContact O-NZ 3.41Å; G99-K101 WeakPolarHBondContact O-CG 3.13Å; G99-K101 PolarHBondContact O-NZ 3.39Å; K101-D124 PolarHBondContact N-OD1 2.83Å; K101-D124 PolarHBondContact N-OD2 2.93Å; K101-D124 PolarHBondContact O-N 2.85Å; K101-L131 HydrophobicContact CB-CD1 4.1Å; K101-L131 HydrophobicContact CB-CG 4.01Å; K101-L131 HydrophobicContact CD-CD1 4.38Å; K101-L131 WeakPolarHBondContact CD-O 3.34Å; K101-L131 VanDerWaalsContact CE-O 3.29Å; K101-L131 WeakPolarHBondContact CE-O 3.49Å; K101-L131 PolarHBondContact NZ-O 2.96Å
102	F	97.5	Very high	96.7	Very high	31 Å²	31	39 Å²	39	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	162.3	157.3	-48.2	-90.4	0	0	0	109.4	V68 A90 K92 F120 V122 D123	V68-F102 HydrophobicContact CG2-CD2 4.08Å; V68-F102 HydrophobicContact CG2-CE2 4.29Å; A90-F102 HydrophobicContact CB-CB 4.01Å; A90-F102 HydrophobicContact CB-CD2 4.31Å; A90-F102 PolarHBondContact N-O 3.38Å; A90-F102 PolarHBondContact O-N 3.08Å; K92-F102 HydrophobicContact CD-CD2 4.32Å; K92-F102 HydrophobicContact CD-CE2 3.78Å; K92-F102 HydrophobicContact CD-CZ 4.05Å; K92-F102 VanDerWaalsContact CE-CE2 3.41Å; K92-F102 VanDerWaalsContact CE-CZ 3.44Å; K92-F102 HydrophobicContact CG-CD2 3.95Å; K92-F102 HydrophobicContact CG-CE2 3.66Å; K92-F102 HydrophobicContact CG-CZ 4.43Å; F102-F120 HydrophobicContact CB-CB 4.13Å; F102-F120 HydrophobicContact CB-CD1 3.48Å; F102-F120 VanDerWaalsContact CB-CD1 3.48Å; F102-F120 HydrophobicContact CB-CE1 4.15Å; F102-F120 HydrophobicContact CB-CG 4.03Å; F102-F120 HydrophobicContact CD1-CB 4.09Å; F102-F120 HydrophobicContact CD1-CD1 4.37Å; F102-F120 HydrophobicContact CD1-CG 4.15Å; F102-F120 HydrophobicContact CD2-CD1 4.16Å; F102-F120 HydrophobicContact CD2-CE1 4.16Å; F102-F120 HydrophobicContact CG-CB 4.31Å; F102-F120 AromaticContact CG-CD1 3.79Å; F102-F120 HydrophobicContact CG-CD1 3.79Å; F102-F120 HydrophobicContact CG-CE1 4.27Å; F102-F120 HydrophobicContact CG-CG 4.03Å; F102-V122 CarbonylContact C-O 3.59Å; F102-V122 WeakPolarHBondContact CA-O 3.26Å; F102-V122 WeakPolarHBondContact CB-O 3.42Å; F102-D123 HydrophobicContact CD1-CB 3.62Å; F102-D123 HydrophobicContact CE1-CB 3.85Å; F102-D123 WeakPolarHBondContact CE1-OD1 3.36Å; F102-D123 VanDerWaalsContact CE1-OD2 3.26Å; F102-D123 WeakPolarHBondContact CE1-OD2 3.22Å
103	I	98.3	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.8	155.6	-61	177	0	0	0	107.2	F87 F120 I121 V122 L131 L133 L147 Y149	F87-I103 HydrophobicContact CD1-CG2 4.32Å; I103-F120 CarbonylContact O-C 3.58Å; I103-F120 WeakPolarHBondContact O-CA 3.27Å; I103-I121 HydrophobicContact CB-CD1 4.47Å; I103-I121 HydrophobicContact CB-CG1 3.85Å; I103-I121 HydrophobicContact CG2-CD1 3.76Å; I103-I121 HydrophobicContact CG2-CG1 3.61Å; I103-I121 PolarHBondContact O-N 3.36Å; I103-V122 HydrophobicContact CB-CB 4.14Å; I103-V122 HydrophobicContact CD1-CB 3.91Å; I103-V122 HydrophobicContact CD1-CG2 3.93Å; I103-V122 HydrophobicContact CG1-CB 4.03Å; I103-V122 PolarHBondContact N-O 2.67Å; I103-L131 HydrophobicContact CD1-CD1 4.23Å; I103-L131 HydrophobicContact CD1-CD2 4.24Å; I103-L131 HydrophobicContact CG1-CD1 3.58Å; I103-L131 HydrophobicContact CG1-CD2 3.69Å; I103-L131 HydrophobicContact CG1-CG 4.28Å; I103-L133 HydrophobicContact CD1-CD1 3.93Å; I103-L133 HydrophobicContact CG1-CD1 4.18Å; I103-L133 HydrophobicContact CG2-CD1 4.02Å; I103-L147 HydrophobicContact CD1-CD2 4.04Å; I103-L147 HydrophobicContact CG2-CD2 3.76Å; I103-Y149 HydrophobicContact CD1-CD1 3.83Å; I103-Y149 HydrophobicContact CD1-CD2 4.45Å; I103-Y149 HydrophobicContact CD1-CE1 4.22Å; I103-Y149 HydrophobicContact CD1-CG 3.94Å
104	A	98.4	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.7	173.4	0	0	0	0	0	110.4	W59 F71 F87 A88 A90 T118 A119 F120	W59-A104 HydrophobicContact CZ2-CB 4.35Å; F71-A104 HydrophobicContact CD1-CB 4.27Å; F71-A104 HydrophobicContact CE1-CB 3.89Å; F87-A104 WeakPolarHBondContact CA-O 3.39Å; A88-A104 PolarHBondContact N-O 2.89Å; A88-A104 PolarHBondContact O-N 3.18Å; A90-A104 HydrophobicContact CB-CB 3.96Å; A104-T118 HydrophobicContact CB-CG2 3.77Å; A104-A119 CarbonylContact C-O 3.4Å; A104-A119 WeakPolarHBondContact CA-O 3.48Å; A104-F120 HydrophobicContact CB-CD1 4.17Å; A104-F120 HydrophobicContact CB-CE1 4.14Å
105	M	98.5	Very high	96.9	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.039	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143	174.3	-172.5	-160.7	75.3	0	0	110.6	L85 A86 F87 R107 T118 A119 I121 G172 W175	L85-M105 HydrophobicContact CD2-SD 4.18Å; A86-M105 CarbonylContact O-C 3.56Å; A86-M105 VanDerWaalsContact O-CA 3.22Å; A86-M105 WeakPolarHBondContact O-CA 3.45Å; F87-M105 HydrophobicContact CD1-CB 3.9Å; F87-M105 HydrophobicContact CD1-CG 3.76Å; F87-M105 HydrophobicContact CE1-CB 4.07Å; F87-M105 HydrophobicContact CE1-CG 3.53Å; F87-M105 HydrophobicContact CE1-SD 3.85Å; F87-M105 HydrophobicContact CZ-CG 4.17Å; F87-M105 HydrophobicContact CZ-SD 4.32Å; M105-R107 HydrophobicContact CE-CB 4.25Å; M105-T118 WeakPolarHBondContact O-CA 3.31Å; M105-A119 HydrophobicContact CE-CB 4.4Å; M105-A119 PolarHBondContact N-O 2.77Å; M105-A119 PolarHBondContact O-N 3.19Å; M105-I121 HydrophobicContact CB-CG2 4Å; M105-I121 HydrophobicContact SD-CG2 4.31Å; M105-G172 WeakPolarHBondContact CE-O 3.46Å; M105-W175 HydrophobicContact SD-CZ2 3.84Å; M105-W175 PolarHBondContact SD-NE1 2.98Å; M105-W175 VanDerWaalsContact SD-NE1 3.4Å
106	R	98.6	Very high	97	Very high	46 Å²	46	38.1 Å²	38.1	17%	0.174	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.8	160	-73.6	-175	175.5	-168.1	5.1	109.7	L58 W59 A86 W115 T118	L58-R106 PolarHBondContact O-NE 3.14Å; L58-R106 PolarHBondContact O-NH1 3.12Å; L58-R106 PolarHBondContact O-NH2 3.08Å; W59-R106 HydrophobicContact CH2-CB 4.46Å; W59-R106 HydrophobicContact CZ2-CB 4.06Å; W59-R106 HydrophobicContact CZ2-CG 3.7Å; A86-R106 PolarHBondContact N-O 2.85Å; A86-R106 PolarHBondContact O-N 3Å; R106-W115 HydrophobicContact CB-CB 4.4Å; R106-W115 HydrophobicContact CB-CD2 4.35Å; R106-W115 HydrophobicContact CB-CE3 3.62Å; R106-W115 HydrophobicContact CB-CZ3 4.29Å; R106-W115 WeakPolarHBondContact O-CZ3 3.24Å; R106-T118 PolarHBondContact NE-OG1 3.12Å; R106-T118 PolarHBondContact NH2-OG1 3.15Å
107	R	98.7	Very high	97	Very high	58 Å²	58	40.4 Å²	40.4	22%	0.219	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	-177.8	178.8	171	179.9	-76.2	-9.5	111	T83 L84 L85 M105 T109 W115 S116 D171	T83-R107 HydrophobicContact CG2-CG 3.61Å; T83-R107 PolarHBondContact OG1-NH2 2.84Å; L84-R107 CarbonylContact O-C 3.49Å; L84-R107 WeakPolarHBondContact O-CA 3.28Å; L85-R107 HydrophobicContact CD2-CB 3.84Å; L85-R107 HydrophobicContact CD2-CG 3.64Å; M105-R107 HydrophobicContact CE-CB 4.25Å; R107-T109 VanDerWaalsContact NH2-CG2 3.26Å; R107-W115 CarbonylContact O-C 3.37Å; R107-W115 WeakPolarHBondContact O-CA 3.48Å; R107-S116 PolarHBondContact N-OG 3Å; R107-S116 PolarHBondContact O-N 2.9Å; R107-D171 WeakPolarHBondContact CD-O 3.45Å; R107-D171 IonicContact CZ-OD2 2.82Å; R107-D171 PolarHBondContact NE-O 2.76Å; R107-D171 IonicContact NH2-OD2 3.61Å; R107-D171 PolarHBondContact NH2-OD2 3.03Å
108	S	98.5	Very high	97.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	173.5	170.9	0	0	0	0	110.5	T83 L84 D110 G112 T114	T83-S108 CarbonylContact C-O 3.31Å; T83-S108 WeakPolarHBondContact CA-O 3.2Å; T83-S108 WeakPolarHBondContact CG2-O 3.45Å; L84-S108 PolarHBondContact N-O 2.99Å; L84-S108 PolarHBondContact O-N 2.86Å; S108-D110 PolarHBondContact OG-N 2.8Å; S108-D110 PolarHBondContact OG-OD1 2.88Å; S108-G112 VanDerWaalsContact OG-CA 3.23Å; S108-G112 WeakPolarHBondContact OG-CA 3.36Å; S108-G112 PolarHBondContact OG-N 2.87Å; S108-T114 WeakPolarHBondContact CB-O 3.06Å; S108-T114 PolarHBondContact OG-O 2.86Å
109	T	96.7	Very high	97.2	Very high	90 Å²	90	35.9 Å²	35.9	55%	0.552	21%	0.213	S	C	*	.	S	Bend	trans	-108.7	8.1	177	53.3	0	0	0	0	112.9	T83 R107	T83-T109 HydrophobicContact CG2-CG2 4.35Å; R107-T109 VanDerWaalsContact NH2-CG2 3.26Å
110	D	94.8	Very high	97.2	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	22%	0.22	S	C	.	.	S	Bend	trans	-131.8	39.4	-174	63	1.3	0	0	0	111.2	S108 G112 S113 T114	S108-D110 PolarHBondContact OG-N 2.8Å; S108-D110 PolarHBondContact OG-OD1 2.88Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 2.91Å; D110-S113 WeakPolarHBondContact O-CB 3.31Å; D110-S113 PolarHBondContact O-N 3.26Å; D110-S113 PolarHBondContact O-OG 3.25Å; D110-S113 PolarHBondContact OD1-N 3.4Å; D110-S113 VanDerWaalsContact OD1-N 3.11Å; D110-T114 VanDerWaalsContact CG-N 3.31Å; D110-T114 PolarHBondContact OD1-N 3.3Å; D110-T114 VanDerWaalsContact OD1-O 3.08Å; D110-T114 VanDerWaalsContact OD2-CB 3.31Å; D110-T114 WeakPolarHBondContact OD2-CB 3.35Å; D110-T114 WeakPolarHBondContact OD2-CG2 3.41Å; D110-T114 PolarHBondContact OD2-N 2.83Å; D110-T114 PolarHBondContact OD2-OG1 2.61Å
111	Q	92.8	Very high	97.2	Very high	42 Å²	42	40 Å²	40	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	42	177.1	-56.3	178.7	-4.4	0	0	113	L370 Q379 Q382 F384 K402	Q111-L370 HydrophobicContact CG-CD1 3.98Å; Q111-Q379 VanDerWaalsContact NE2-OE1 3.08Å; Q111-Q382 VanDerWaalsContact OE1-CD 3.28Å; Q111-F384 HydrophobicContact CB-CZ 4.19Å; Q111-F384 WeakPolarHBondContact O-CE1 3.4Å; Q111-K402 PolarHBondContact O-NZ 2.84Å; Q111-K402 VanDerWaalsContact OE1-NZ 3.08Å
112	G	95.8	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	4.3	175	0	0	0	0	0	115	M54 Q56 S108 D110 W115 M400	M54-G112 WeakPolarHBondContact CE-O 3.43Å; Q56-G112 PolarHBondContact NE2-O 3.26Å; Q56-G112 VanDerWaalsContact NE2-O 3.08Å; Q56-G112 PolarHBondContact OE1-O 3.11Å; S108-G112 VanDerWaalsContact OG-CA 3.23Å; S108-G112 WeakPolarHBondContact OG-CA 3.36Å; S108-G112 PolarHBondContact OG-N 2.87Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 2.91Å; G112-W115 PolarHBondContact O-NE1 2.88Å; G112-M400 WeakPolarHBondContact O-CE 3.26Å
113	S	95.9	Very high	97.2	Very high	60 Å²	60	43.5 Å²	43.5	42%	0.42	25%	0.247	S	C	.	.	S	Bend	trans	-72.8	-37	-176.9	-50.6	0	0	0	0	112	Q56 D110	Q56-S113 PolarHBondContact NE2-O 3.01Å; D110-S113 WeakPolarHBondContact O-CB 3.31Å; D110-S113 PolarHBondContact O-N 3.26Å; D110-S113 PolarHBondContact O-OG 3.25Å; D110-S113 PolarHBondContact OD1-N 3.4Å; D110-S113 VanDerWaalsContact OD1-N 3.11Å
114	T	97.8	Very high	97.1	Very high	87 Å²	87	44.8 Å²	44.8	53%	0.534	25%	0.254	S	S	.	.	S	Bend	trans	-134.4	155.4	170.5	70.3	0	0	0	0	110.3	S108 D110	S108-T114 WeakPolarHBondContact CB-O 3.06Å; S108-T114 PolarHBondContact OG-O 2.86Å; D110-T114 VanDerWaalsContact CG-N 3.31Å; D110-T114 PolarHBondContact OD1-N 3.3Å; D110-T114 VanDerWaalsContact OD1-O 3.08Å; D110-T114 VanDerWaalsContact OD2-CB 3.31Å; D110-T114 WeakPolarHBondContact OD2-CB 3.35Å; D110-T114 WeakPolarHBondContact OD2-CG2 3.41Å; D110-T114 PolarHBondContact OD2-N 2.83Å; D110-T114 PolarHBondContact OD2-OG1 2.61Å
115	W	98.4	Very high	96.9	Very high	37 Å²	37	46.2 Å²	46.2	14%	0.14	27%	0.268	C	S	.	.			trans	-129.7	148.2	179.6	-67.2	81.3	0	0	0	110.7	L58 I76 L84 A86 R106 R107 G112 M400	L58-W115 HydrophobicContact CD1-CD2 4.25Å; L58-W115 HydrophobicContact CD1-CE3 4.49Å; L58-W115 HydrophobicContact CD1-CH2 4.19Å; L58-W115 HydrophobicContact CD1-CZ2 3.94Å; L58-W115 HydrophobicContact CD1-CZ3 4.48Å; L58-W115 HydrophobicContact CD2-CD2 4.06Å; L58-W115 HydrophobicContact CD2-CG 3.94Å; L58-W115 HydrophobicContact CD2-CZ2 4.49Å; I76-W115 HydrophobicContact CD1-CH2 4.4Å; L84-W115 HydrophobicContact CB-CH2 3.76Å; L84-W115 HydrophobicContact CB-CZ2 4.47Å; L84-W115 HydrophobicContact CB-CZ3 4.26Å; L84-W115 HydrophobicContact CD1-CH2 4.47Å; L84-W115 HydrophobicContact CD1-CZ2 4.43Å; A86-W115 HydrophobicContact CB-CE3 4.48Å; A86-W115 HydrophobicContact CB-CH2 3.75Å; A86-W115 HydrophobicContact CB-CZ3 3.63Å; R106-W115 HydrophobicContact CB-CB 4.4Å; R106-W115 HydrophobicContact CB-CD2 4.35Å; R106-W115 HydrophobicContact CB-CE3 3.62Å; R106-W115 HydrophobicContact CB-CZ3 4.29Å; R106-W115 WeakPolarHBondContact O-CZ3 3.24Å; R107-W115 CarbonylContact O-C 3.37Å; R107-W115 WeakPolarHBondContact O-CA 3.48Å; G112-W115 PolarHBondContact O-NE1 2.88Å; W115-M400 HydrophobicContact CZ2-CE 3.66Å; W115-M400 HydrophobicContact CZ2-CG 4.37Å
116	S	98.2	Very high	96.7	Very high	47 Å²	47	52.1 Å²	52.1	33%	0.329	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-57.3	163.8	166.5	72.3	0	0	0	0	111.4	R107	R107-S116 PolarHBondContact N-OG 3Å; R107-S116 PolarHBondContact O-N 2.9Å
117	S	96.6	Very high	96.4	Very high	104 Å²	104	51.8 Å²	51.8	73%	0.727	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-56.6	156.9	160.2	52.7	0	0	0	0	110.7	A119	S117-A119 PolarHBondContact O-N 2.83Å
118	T	97.7	Very high	96.1	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.147	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-64.9	121.7	174.5	-56.2	0	0	0	0	109.8	W59 I65 A104 M105 R106 F120	W59-T118 PolarHBondContact NE1-OG1 3.26Å; W59-T118 VanDerWaalsContact NE1-OG1 3.09Å; I65-T118 HydrophobicContact CG2-CG2 4.41Å; A104-T118 HydrophobicContact CB-CG2 3.77Å; M105-T118 WeakPolarHBondContact O-CA 3.31Å; R106-T118 PolarHBondContact NE-OG1 3.12Å; R106-T118 PolarHBondContact NH2-OG1 3.15Å; T118-F120 HydrophobicContact CG2-CE1 4.06Å; T118-F120 HydrophobicContact CG2-CZ 4.36Å
119	A	97	Very high	95.9	Very high	39 Å²	39	51.8 Å²	51.8	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.9	167.1	0	0	0	0	0	110	A104 M105 S117 I121	A104-A119 CarbonylContact C-O 3.4Å; A104-A119 WeakPolarHBondContact CA-O 3.48Å; M105-A119 HydrophobicContact CE-CB 4.4Å; M105-A119 PolarHBondContact N-O 2.77Å; M105-A119 PolarHBondContact O-N 3.19Å; S117-A119 PolarHBondContact O-N 2.83Å; A119-I121 HydrophobicContact CB-CG2 4.42Å
120	F	96.8	Very high	95.8	Very high	80 Å²	80	47.5 Å²	47.5	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.4	171	-61.2	-60.5	0	0	0	108.5	I65 V68 A90 F102 I103 A104 T118	I65-F120 HydrophobicContact CG2-CZ 4.45Å; V68-F120 HydrophobicContact CG2-CE1 3.97Å; V68-F120 HydrophobicContact CG2-CZ 3.88Å; A90-F120 HydrophobicContact CB-CD1 4.48Å; A90-F120 HydrophobicContact CB-CE1 4Å; F102-F120 HydrophobicContact CB-CB 4.13Å; F102-F120 HydrophobicContact CB-CD1 3.48Å; F102-F120 VanDerWaalsContact CB-CD1 3.48Å; F102-F120 HydrophobicContact CB-CE1 4.15Å; F102-F120 HydrophobicContact CB-CG 4.03Å; F102-F120 HydrophobicContact CD1-CB 4.09Å; F102-F120 HydrophobicContact CD1-CD1 4.37Å; F102-F120 HydrophobicContact CD1-CG 4.15Å; F102-F120 HydrophobicContact CD2-CD1 4.16Å; F102-F120 HydrophobicContact CD2-CE1 4.16Å; F102-F120 HydrophobicContact CG-CB 4.31Å; F102-F120 AromaticContact CG-CD1 3.79Å; F102-F120 HydrophobicContact CG-CD1 3.79Å; F102-F120 HydrophobicContact CG-CE1 4.27Å; F102-F120 HydrophobicContact CG-CG 4.03Å; I103-F120 CarbonylContact O-C 3.58Å; I103-F120 WeakPolarHBondContact O-CA 3.27Å; A104-F120 HydrophobicContact CB-CD1 4.17Å; A104-F120 HydrophobicContact CB-CE1 4.14Å; T118-F120 HydrophobicContact CG2-CE1 4.06Å; T118-F120 HydrophobicContact CG2-CZ 4.36Å
121	I	97.3	Very high	96	Very high	29 Å²	29	44.9 Å²	44.9	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-19.7	-170.2	63.8	168.8	0	0	0	112.6	F87 I103 M105 A119 L147 W175	F87-I121 HydrophobicContact CD1-CD1 3.91Å; F87-I121 HydrophobicContact CE1-CD1 3.74Å; I103-I121 HydrophobicContact CB-CD1 4.47Å; I103-I121 HydrophobicContact CB-CG1 3.85Å; I103-I121 HydrophobicContact CG2-CD1 3.76Å; I103-I121 HydrophobicContact CG2-CG1 3.61Å; I103-I121 PolarHBondContact O-N 3.36Å; M105-I121 HydrophobicContact CB-CG2 4Å; M105-I121 HydrophobicContact SD-CG2 4.31Å; A119-I121 HydrophobicContact CB-CG2 4.42Å; I121-L147 HydrophobicContact CD1-CD2 3.71Å; I121-W175 HydrophobicContact CB-CB 4.49Å; I121-W175 HydrophobicContact CB-CD2 4.48Å; I121-W175 HydrophobicContact CB-CG 4.02Å; I121-W175 HydrophobicContact CD1-CD2 3.87Å; I121-W175 HydrophobicContact CD1-CE3 4.23Å; I121-W175 HydrophobicContact CD1-CG 4.31Å; I121-W175 HydrophobicContact CD1-CH2 4.4Å; I121-W175 HydrophobicContact CD1-CZ2 4.07Å; I121-W175 HydrophobicContact CD1-CZ3 4.48Å; I121-W175 VanDerWaalsContact CG2-CD1 3.43Å; I121-W175 HydrophobicContact CG2-CG 4.07Å
122	V	97.7	Very high	96.2	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.4	170.7	177.8	0	0	0	0	108.3	F102 I103 L131 Y149 V166	F102-V122 CarbonylContact C-O 3.59Å; F102-V122 WeakPolarHBondContact CA-O 3.26Å; F102-V122 WeakPolarHBondContact CB-O 3.42Å; I103-V122 HydrophobicContact CB-CB 4.14Å; I103-V122 HydrophobicContact CD1-CB 3.91Å; I103-V122 HydrophobicContact CD1-CG2 3.93Å; I103-V122 HydrophobicContact CG1-CB 4.03Å; I103-V122 PolarHBondContact N-O 2.67Å; V122-L131 HydrophobicContact CB-CD2 4.41Å; V122-L131 HydrophobicContact CG1-CD2 3.88Å; V122-Y149 HydrophobicContact CG1-CE2 4.34Å; V122-Y149 HydrophobicContact CG2-CE1 4.17Å; V122-V166 HydrophobicContact CG2-CG1 3.92Å; V122-V166 HydrophobicContact CG2-CG2 4.25Å
123	D	96.6	Very high	96.3	Very high	93 Å²	93	44.5 Å²	44.5	50%	0.497	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.8	171.4	-178.2	0.3	0	0	0	108.4	K92 F102 G125	K92-D123 IonicContact NZ-OD1 2.64Å; K92-D123 PolarHBondContact NZ-OD1 3.38Å; K92-D123 IonicContact NZ-OD2 3.87Å; F102-D123 HydrophobicContact CD1-CB 3.62Å; F102-D123 HydrophobicContact CE1-CB 3.85Å; F102-D123 WeakPolarHBondContact CE1-OD1 3.36Å; F102-D123 VanDerWaalsContact CE1-OD2 3.26Å; F102-D123 WeakPolarHBondContact CE1-OD2 3.22Å; D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact OD1-N 3.19Å
124	D	95.5	Very high	96.4	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	25%	0.25	C	S	.	.			trans	-86.4	7.4	177.3	65.6	19.9	0	0	0	114.1	A100 K101 E126 G130 L131 L151	A100-D124 VanDerWaalsContact CA-OD1 3.23Å; A100-D124 WeakPolarHBondContact CA-OD1 3.35Å; A100-D124 WeakPolarHBondContact CB-OD1 3.29Å; K101-D124 PolarHBondContact N-OD1 2.83Å; K101-D124 PolarHBondContact N-OD2 2.93Å; K101-D124 PolarHBondContact O-N 2.85Å; D124-E126 PolarHBondContact O-N 2.86Å; D124-G130 WeakPolarHBondContact OD2-CA 3.5Å; D124-L131 HydrophobicContact CB-CD2 4.17Å; D124-L131 PolarHBondContact OD2-N 3.45Å; D124-L151 HydrophobicContact CB-CD2 4.36Å
125	G	95.2	Very high	96.4	Very high	29 Å²	29	37.6 Å²	37.6	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-121.5	177.3	0	0	0	0	0	112.6	K92 A100 D123	K92-G125 PolarHBondContact NZ-O 2.7Å; A100-G125 VanDerWaalsContact CB-O 3.24Å; A100-G125 WeakPolarHBondContact CB-O 3.14Å; D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact OD1-N 3.19Å
126	E	94.4	Very high	96.4	Very high	132 Å²	132	35.8 Å²	35.8	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.6	27.4	-176.7	-68.6	-64.9	141.3	0	0	111.9	K93 D124	K93-E126 VanDerWaalsContact CE-OE2 3.27Å; K93-E126 WeakPolarHBondContact CE-OE2 3.37Å; K93-E126 IonicContact NZ-OE2 3.14Å; K93-E126 PolarHBondContact NZ-OE2 3.19Å; D124-E126 PolarHBondContact O-N 2.86Å
127	A	91.9	Very high	96.4	Very high	39 Å²	39	33.6 Å²	33.6	32%	0.322	20%	0.203	S	C	.	.			trans	-56.3	140	-179.3	0	0	0	0	0	112.2	G99 A100 D129	G99-A127 CarbonylContact C-O 3.53Å; G99-A127 VanDerWaalsContact C-O 3.31Å; A100-A127 PolarHBondContact N-O 2.91Å; A127-D129 VanDerWaalsContact C-N 3.29Å
128	S	93.2	Very high	96.4	Very high	52 Å²	52	29.7 Å²	29.7	36%	0.364	17%	0.174	S	C	.	.	S	Bend	trans	-72.9	-25.4	173.4	50.9	0	0	0	0	112.7	G99 V156 N157	G99-S128 VanDerWaalsContact CA-O 3.23Å; G99-S128 WeakPolarHBondContact CA-O 3.47Å; G99-S128 PolarHBondContact N-O 3.41Å; S128-V156 PolarHBondContact OG-O 2.88Å; S128-N157 WeakPolarHBondContact OG-CB 3.27Å; S128-N157 PolarHBondContact OG-ND2 3.26Å; S128-N157 VanDerWaalsContact OG-ND2 3.13Å
129	D	94.5	Very high	96.4	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.043	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-133.6	81.8	175.5	-168.6	9.6	0	0	0	108.1	A127 C152 A153 H154 K155 V156	A127-D129 VanDerWaalsContact C-N 3.29Å; D129-C152 PolarHBondContact O-N 2.85Å; D129-C152 VanDerWaalsContact OD2-CA 3.28Å; D129-C152 WeakPolarHBondContact OD2-CA 3.2Å; D129-A153 PolarHBondContact OD2-N 3.18Å; D129-H154 IonicContact OD1-CE1 3.37Å; D129-H154 IonicContact OD1-CG 3.7Å; D129-H154 IonicContact OD1-ND1 2.88Å; D129-H154 PolarHBondContact OD1-ND1 2.78Å; D129-H154 VanDerWaalsContact OD2-C 3.3Å; D129-H154 VanDerWaalsContact OD2-CA 3.29Å; D129-H154 WeakPolarHBondContact OD2-CA 3.36Å; D129-H154 WeakPolarHBondContact OD2-CB 3.27Å; D129-H154 PolarHBondContact OD2-N 2.8Å; D129-H154 IonicContact OD2-ND1 3.16Å; D129-K155 PolarHBondContact OD2-N 3.45Å; D129-V156 HydrophobicContact CB-CB 4.07Å; D129-V156 PolarHBondContact OD2-N 3.35Å
130	G	94.7	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.			trans	-72.3	-154	-172.4	0	0	0	0	0	113.7	G99 D124 C152	G99-G130 WeakPolarHBondContact O-CA 3.5Å; G99-G130 PolarHBondContact O-N 2.89Å; D124-G130 WeakPolarHBondContact OD2-CA 3.5Å; G130-C152 PolarHBondContact O-N 2.89Å
131	L	97.4	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	147.6	174.6	64.5	91	0	0	0	111.8	E89 K101 I103 V122 D124 Y149 T150 L151	E89-L131 HydrophobicContact CG-CD1 4.29Å; K101-L131 HydrophobicContact CB-CD1 4.1Å; K101-L131 HydrophobicContact CB-CG 4.01Å; K101-L131 HydrophobicContact CD-CD1 4.38Å; K101-L131 WeakPolarHBondContact CD-O 3.34Å; K101-L131 VanDerWaalsContact CE-O 3.29Å; K101-L131 WeakPolarHBondContact CE-O 3.49Å; K101-L131 PolarHBondContact NZ-O 2.96Å; I103-L131 HydrophobicContact CD1-CD1 4.23Å; I103-L131 HydrophobicContact CD1-CD2 4.24Å; I103-L131 HydrophobicContact CG1-CD1 3.58Å; I103-L131 HydrophobicContact CG1-CD2 3.69Å; I103-L131 HydrophobicContact CG1-CG 4.28Å; V122-L131 HydrophobicContact CB-CD2 4.41Å; V122-L131 HydrophobicContact CG1-CD2 3.88Å; D124-L131 HydrophobicContact CB-CD2 4.17Å; D124-L131 PolarHBondContact OD2-N 3.45Å; L131-Y149 HydrophobicContact CB-CD2 3.73Å; L131-Y149 HydrophobicContact CB-CE2 4.14Å; L131-T150 CarbonylContact C-O 3.47Å; L131-T150 VanDerWaalsContact CA-O 3.26Å; L131-T150 WeakPolarHBondContact CA-O 3.41Å; L131-L151 HydrophobicContact CB-CD2 3.8Å
132	N	97.5	Very high	96.3	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.1	162.7	-76.5	24.5	0	0	0	106.7	E89 G134 Y149 T150 A153 H154	E89-N132 VanDerWaalsContact OE1-CA 3.29Å; E89-N132 WeakPolarHBondContact OE1-CA 3.42Å; N132-G134 PolarHBondContact O-N 3.01Å; N132-Y149 WeakPolarHBondContact O-CA 3.34Å; N132-Y149 VanDerWaalsContact O-CB 3.29Å; N132-Y149 WeakPolarHBondContact O-CB 3.35Å; N132-T150 PolarHBondContact N-O 3.16Å; N132-T150 PolarHBondContact O-N 2.83Å; N132-A153 HydrophobicContact CB-CB 4.37Å; N132-A153 WeakPolarHBondContact ND2-CB 3.3Å; N132-H154 PolarHBondContact ND2-CE1 3.37Å
133	L	98.1	Very high	96.3	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.4	-178.3	-176.5	59	0	0	0	109.4	I73 L75 F87 A88 E89 I103 L147	I73-L133 HydrophobicContact CG2-CB 4.27Å; L75-L133 HydrophobicContact CD1-CD2 3.48Å; L75-L133 VanDerWaalsContact CD1-CD2 3.48Å; L75-L133 HydrophobicContact CD1-CG 3.63Å; L75-L133 HydrophobicContact CD2-CD1 4.18Å; L75-L133 HydrophobicContact CD2-CD2 4.28Å; L75-L133 HydrophobicContact CD2-CG 3.96Å; L75-L133 HydrophobicContact CG-CD2 4.44Å; L75-L133 HydrophobicContact CG-CG 4.46Å; F87-L133 HydrophobicContact CB-CD2 4.05Å; A88-L133 VanDerWaalsContact C-CD2 3.47Å; E89-L133 HydrophobicContact CG-CB 3.45Å; E89-L133 VanDerWaalsContact CG-CB 3.45Å; E89-L133 HydrophobicContact CG-CD2 4.47Å; E89-L133 PolarHBondContact OE1-N 3.44Å; I103-L133 HydrophobicContact CD1-CD1 3.93Å; I103-L133 HydrophobicContact CG1-CD1 4.18Å; I103-L133 HydrophobicContact CG2-CD1 4.02Å; L133-L147 HydrophobicContact CD1-CD1 3.94Å; L133-L147 HydrophobicContact CD1-CD2 3.92Å; L133-L147 HydrophobicContact CD1-CG 4.14Å
134	G	97.4	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-100	-173.4	0	0	0	0	0	113.2	L75 N132 I148 P192 P194 G195	L75-G134 WeakPolarHBondContact CD2-O 3.43Å; N132-G134 PolarHBondContact O-N 3.01Å; G134-I148 CarbonylContact C-O 3.53Å; G134-I148 VanDerWaalsContact CA-O 3.23Å; G134-I148 WeakPolarHBondContact CA-O 3.47Å; G134-I148 PolarHBondContact N-O 3.05Å; G134-P192 CarbonylContact C-O 3.38Å; G134-P192 WeakPolarHBondContact CA-O 3.24Å; G134-P194 CarbonylContact O-C 3.53Å; G134-P194 WeakPolarHBondContact O-CA 2.77Å; G134-P194 WeakPolarHBondContact O-CB 3.37Å; G134-G195 PolarHBondContact O-N 2.97Å
135	A	98.4	Very high	96.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.5	-170.8	0	0	0	0	0	112.6	I148 P192 G195 V211	A135-I148 PolarHBondContact N-O 3.06Å; A135-I148 PolarHBondContact O-N 2.89Å; A135-P192 HydrophobicContact CB-CB 3.94Å; A135-G195 VanDerWaalsContact CA-O 3.29Å; A135-G195 WeakPolarHBondContact CA-O 3.25Å; A135-V211 HydrophobicContact CB-CG1 3.74Å
136	V	98.5	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.7	172.1	63	0	0	0	0	110.1	L75 T77 F87 V145 F146 L147 G195 S196 G197	L75-V136 HydrophobicContact CB-CG1 4.34Å; L75-V136 HydrophobicContact CD2-CB 4.35Å; L75-V136 HydrophobicContact CD2-CG1 4.33Å; T77-V136 HydrophobicContact CG2-CG1 4.06Å; T77-V136 HydrophobicContact CG2-CG2 3.65Å; F87-V136 HydrophobicContact CE2-CB 4.38Å; F87-V136 HydrophobicContact CE2-CG2 3.96Å; F87-V136 HydrophobicContact CZ-CG2 4.43Å; V136-V145 HydrophobicContact CG2-CG1 3.67Å; V136-F146 CarbonylContact C-O 3.56Å; V136-F146 VanDerWaalsContact CA-O 3.32Å; V136-F146 WeakPolarHBondContact CA-O 3.33Å; V136-F146 WeakPolarHBondContact CG2-O 3.34Å; V136-L147 HydrophobicContact CB-CD1 3.81Å; V136-L147 HydrophobicContact CG2-CD1 4.37Å; V136-G195 PolarHBondContact N-O 3.11Å; V136-S196 CarbonylContact O-C 3.51Å; V136-S196 WeakPolarHBondContact O-CA 3.26Å; V136-G197 PolarHBondContact O-N 3.33Å
137	V	98	Very high	96.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.1	175.4	61.5	0	0	0	0	109.9	F146 L209 V211 W234	V137-F146 HydrophobicContact CG1-CB 3.81Å; V137-F146 HydrophobicContact CG1-CD2 4.35Å; V137-F146 PolarHBondContact N-O 3.3Å; V137-F146 PolarHBondContact O-N 3.33Å; V137-L209 HydrophobicContact CG2-CD2 4.32Å; V137-V211 HydrophobicContact CB-CG2 4.15Å; V137-V211 HydrophobicContact CG1-CG2 3.79Å; V137-W234 HydrophobicContact CG1-CH2 4.32Å
138	N	97.1	Very high	97.2	Very high	21 Å²	21	19.7 Å²	19.7	11%	0.112	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.6	172.3	-54.8	-67.3	0	0	0	109.2	T77 A78 V145	T77-N138 PolarHBondContact OG1-ND2 3.35Å; A78-N138 PolarHBondContact O-ND2 3.09Å; N138-V145 WeakPolarHBondContact OD1-CG2 3.39Å
139	D	98	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	105.1	159.8	-178.9	-4.9	0	0	0	108.1	D141 T142 G143 V144 F146 Q199 L209 H230	D139-D141 VanDerWaalsContact C-N 3.28Å; D139-D141 PolarHBondContact O-N 3.01Å; D139-D141 PolarHBondContact OD1-N 2.82Å; D139-D141 VanDerWaalsContact OD1-N 3.1Å; D139-T142 WeakPolarHBondContact CB-OG1 3.33Å; D139-T142 PolarHBondContact OD1-N 2.98Å; D139-T142 VanDerWaalsContact OD2-CG2 3.27Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.34Å; D139-T142 PolarHBondContact OD2-OG1 3.3Å; D139-G143 VanDerWaalsContact O-CA 3.25Å; D139-G143 WeakPolarHBondContact O-CA 3.46Å; D139-G143 PolarHBondContact O-N 3.33Å; D139-V144 PolarHBondContact N-O 2.86Å; D139-V144 PolarHBondContact O-N 3.37Å; D139-F146 HydrophobicContact CB-CE2 4.14Å; D139-Q199 PolarHBondContact OD1-NE2 2.83Å; D139-L209 HydrophobicContact CB-CD1 4.35Å; D139-L209 HydrophobicContact CB-CD2 4.08Å; D139-H230 IonicContact OD1-ND1 3.64Å; D139-H230 PolarHBondContact OD1-ND1 3.39Å; D139-H230 WeakPolarHBondContact OD2-CB 3.24Å; D139-H230 IonicContact OD2-CE1 3.59Å; D139-H230 IonicContact OD2-CG 3.81Å; D139-H230 IonicContact OD2-ND1 2.78Å; D139-H230 PolarHBondContact OD2-ND1 2.77Å
140	V	94.9	Very high	97.6	Very high	72 Å²	72	17 Å²	17	44%	0.436	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31	-177.2	-177	0	0	0	0	111.3	P80	P80-V140 HydrophobicContact CG-CB 4.4Å; P80-V140 HydrophobicContact CG-CG1 4.25Å; P80-V140 HydrophobicContact CG-CG2 4.47Å
141	D	96.4	Very high	97.8	Very high	109 Å²	109	19.4 Å²	19.4	58%	0.583	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-37.8	-178.1	-67	-33.6	0	0	0	111.6	D139 Q199 H230	D139-D141 VanDerWaalsContact C-N 3.28Å; D139-D141 PolarHBondContact O-N 3.01Å; D139-D141 PolarHBondContact OD1-N 2.82Å; D139-D141 VanDerWaalsContact OD1-N 3.1Å; D141-Q199 PolarHBondContact OD2-NE2 2.82Å; D141-H230 IonicContact OD2-CE1 3.9Å
142	T	97.3	Very high	97.7	Very high	71 Å²	71	19.8 Å²	19.8	44%	0.436	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-15.9	-178.2	66.5	0	0	0	0	113.9	D139 V144 H230	D139-T142 WeakPolarHBondContact CB-OG1 3.33Å; D139-T142 PolarHBondContact OD1-N 2.98Å; D139-T142 VanDerWaalsContact OD2-CG2 3.27Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.34Å; D139-T142 PolarHBondContact OD2-OG1 3.3Å; T142-V144 PolarHBondContact O-N 2.8Å; T142-V144 WeakPolarHBondContact OG1-CG2 3.42Å; T142-V144 PolarHBondContact OG1-N 3.41Å; T142-H230 HydrophobicContact CG2-CB 3.99Å
143	G	97	Very high	97.6	Very high	20 Å²	20	18.7 Å²	18.7	21%	0.206	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	10.8	-173.9	0	0	0	0	0	114.2	D139	D139-G143 VanDerWaalsContact O-CA 3.25Å; D139-G143 WeakPolarHBondContact O-CA 3.46Å; D139-G143 PolarHBondContact O-N 3.33Å
144	V	98.5	Very high	97.3	Very high	14 Å²	14	21.9 Å²	21.9	9%	0.085	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.1	179.4	-178.2	0	0	0	0	110.2	D139 T142 F146 W167 S168 K169	D139-V144 PolarHBondContact N-O 2.86Å; D139-V144 PolarHBondContact O-N 3.37Å; T142-V144 PolarHBondContact O-N 2.8Å; T142-V144 WeakPolarHBondContact OG1-CG2 3.42Å; T142-V144 PolarHBondContact OG1-N 3.41Å; V144-F146 HydrophobicContact CB-CE2 3.97Å; V144-F146 HydrophobicContact CB-CZ 4.08Å; V144-F146 HydrophobicContact CG1-CD1 4.2Å; V144-F146 HydrophobicContact CG1-CD2 4.12Å; V144-F146 HydrophobicContact CG1-CE1 3.74Å; V144-F146 HydrophobicContact CG1-CE2 3.64Å; V144-F146 HydrophobicContact CG1-CG 4.38Å; V144-F146 HydrophobicContact CG1-CZ 3.43Å; V144-F146 VanDerWaalsContact CG1-CZ 3.43Å; V144-W167 HydrophobicContact CG1-CB 3.91Å; V144-W167 HydrophobicContact CG1-CG 4.39Å; V144-S168 WeakPolarHBondContact CA-O 3.43Å; V144-K169 HydrophobicContact CG2-CG 4.12Å
145	V	98.6	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.3	172.3	-172.4	0	0	0	0	108.2	T77 T79 L85 V136 N138 W167 S168 W175	T77-V145 HydrophobicContact CG2-CG1 4.48Å; T79-V145 HydrophobicContact CG2-CG2 3.97Å; L85-V145 HydrophobicContact CD1-CG1 4.1Å; L85-V145 HydrophobicContact CD1-CG2 4.15Å; V136-V145 HydrophobicContact CG2-CG1 3.67Å; N138-V145 WeakPolarHBondContact OD1-CG2 3.39Å; V145-W167 CarbonylContact O-C 3.53Å; V145-W167 WeakPolarHBondContact O-CA 3.25Å; V145-W167 WeakPolarHBondContact O-CB 3.46Å; V145-S168 PolarHBondContact N-O 3.14Å; V145-S168 PolarHBondContact O-N 3.12Å; V145-W175 HydrophobicContact CB-CH2 4.39Å; V145-W175 HydrophobicContact CG1-CH2 3.99Å
146	F	98.6	Very high	96.8	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.044	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.7	174.7	-61.9	-79.3	0	0	0	110.3	V136 V137 D139 V144 L165 W167 L209 H230	V136-F146 CarbonylContact C-O 3.56Å; V136-F146 VanDerWaalsContact CA-O 3.32Å; V136-F146 WeakPolarHBondContact CA-O 3.33Å; V136-F146 WeakPolarHBondContact CG2-O 3.34Å; V137-F146 HydrophobicContact CG1-CB 3.81Å; V137-F146 HydrophobicContact CG1-CD2 4.35Å; V137-F146 PolarHBondContact N-O 3.3Å; V137-F146 PolarHBondContact O-N 3.33Å; D139-F146 HydrophobicContact CB-CE2 4.14Å; V144-F146 HydrophobicContact CB-CE2 3.97Å; V144-F146 HydrophobicContact CB-CZ 4.08Å; V144-F146 HydrophobicContact CG1-CD1 4.2Å; V144-F146 HydrophobicContact CG1-CD2 4.12Å; V144-F146 HydrophobicContact CG1-CE1 3.74Å; V144-F146 HydrophobicContact CG1-CE2 3.64Å; V144-F146 HydrophobicContact CG1-CG 4.38Å; V144-F146 HydrophobicContact CG1-CZ 3.43Å; V144-F146 VanDerWaalsContact CG1-CZ 3.43Å; F146-L165 HydrophobicContact CB-CD1 4.29Å; F146-L165 HydrophobicContact CD1-CD1 3.79Å; F146-L165 HydrophobicContact CD1-CD2 4.02Å; F146-L165 HydrophobicContact CD1-CG 4.18Å; F146-L165 HydrophobicContact CE1-CD2 4.49Å; F146-L165 HydrophobicContact CG-CD1 4.35Å; F146-W167 HydrophobicContact CD1-CB 3.64Å; F146-W167 HydrophobicContact CE1-CB 3.87Å; F146-W167 HydrophobicContact CE1-CG 4.39Å; F146-L209 HydrophobicContact CD2-CD1 4.07Å; F146-L209 HydrophobicContact CE2-CD1 3.86Å; F146-H230 WeakPolarHBondContact CZ-O 3.38Å
147	L	98.7	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.7	170.8	-174.2	72	0	0	0	109.1	L75 F87 I103 I121 L133 V136 L165 V166 W175	L75-L147 HydrophobicContact CD2-CD1 3.8Å; F87-L147 HydrophobicContact CD1-CD2 3.95Å; F87-L147 HydrophobicContact CE1-CD2 4.13Å; I103-L147 HydrophobicContact CD1-CD2 4.04Å; I103-L147 HydrophobicContact CG2-CD2 3.76Å; I121-L147 HydrophobicContact CD1-CD2 3.71Å; L133-L147 HydrophobicContact CD1-CD1 3.94Å; L133-L147 HydrophobicContact CD1-CD2 3.92Å; L133-L147 HydrophobicContact CD1-CG 4.14Å; V136-L147 HydrophobicContact CB-CD1 3.81Å; V136-L147 HydrophobicContact CG2-CD1 4.37Å; L147-L165 WeakPolarHBondContact O-CA 3.48Å; L147-V166 HydrophobicContact CB-CG2 3.93Å; L147-V166 HydrophobicContact CD2-CG2 4.3Å; L147-V166 PolarHBondContact N-O 2.66Å; L147-V166 PolarHBondContact O-N 3.5Å; L147-W175 HydrophobicContact CB-CH2 4.26Å; L147-W175 HydrophobicContact CB-CZ3 3.88Å
148	I	98.6	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.3	-178.6	-48.4	-170.2	0	0	0	109	G134 A135 T163 M164 L165 L181 P192 V211 W234	G134-I148 CarbonylContact C-O 3.53Å; G134-I148 VanDerWaalsContact CA-O 3.23Å; G134-I148 WeakPolarHBondContact CA-O 3.47Å; G134-I148 PolarHBondContact N-O 3.05Å; A135-I148 PolarHBondContact N-O 3.06Å; A135-I148 PolarHBondContact O-N 2.89Å; I148-T163 HydrophobicContact CG2-CG2 3.64Å; I148-M164 WeakPolarHBondContact CA-O 3.32Å; I148-M164 WeakPolarHBondContact CG2-O 3.47Å; I148-L165 HydrophobicContact CD1-CD1 4.12Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG1-CD1 4.02Å; I148-L165 HydrophobicContact CG1-CG 4.43Å; I148-L181 HydrophobicContact CD1-CD1 4.14Å; I148-L181 HydrophobicContact CG2-CD1 4.23Å; I148-P192 HydrophobicContact CB-CB 4.48Å; I148-P192 HydrophobicContact CB-CG 3.99Å; I148-P192 HydrophobicContact CG2-CB 4.44Å; I148-P192 HydrophobicContact CG2-CG 3.61Å; I148-V211 HydrophobicContact CD1-CB 4.2Å; I148-V211 HydrophobicContact CD1-CG1 4.2Å; I148-V211 HydrophobicContact CD1-CG2 3.89Å; I148-W234 HydrophobicContact CD1-CH2 4.21Å; I148-W234 HydrophobicContact CD1-CZ2 4.3Å; I148-W234 HydrophobicContact CD1-CZ3 4.42Å
149	Y	98.4	Very high	95.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169.2	-178.8	65.5	-85.8	0	0	0	110.3	I103 V122 L131 N132 L151 M164 V166 P178	I103-Y149 HydrophobicContact CD1-CD1 3.83Å; I103-Y149 HydrophobicContact CD1-CD2 4.45Å; I103-Y149 HydrophobicContact CD1-CE1 4.22Å; I103-Y149 HydrophobicContact CD1-CG 3.94Å; V122-Y149 HydrophobicContact CG1-CE2 4.34Å; V122-Y149 HydrophobicContact CG2-CE1 4.17Å; L131-Y149 HydrophobicContact CB-CD2 3.73Å; L131-Y149 HydrophobicContact CB-CE2 4.14Å; N132-Y149 WeakPolarHBondContact O-CA 3.34Å; N132-Y149 VanDerWaalsContact O-CB 3.29Å; N132-Y149 WeakPolarHBondContact O-CB 3.35Å; Y149-L151 HydrophobicContact CD2-CD2 4.46Å; Y149-L151 HydrophobicContact CE2-CD2 4.03Å; Y149-L151 HydrophobicContact CE2-CG 4.1Å; Y149-M164 HydrophobicContact CD1-CB 4.07Å; Y149-M164 HydrophobicContact CD2-CB 3.89Å; Y149-M164 HydrophobicContact CD2-CG 4.36Å; Y149-M164 HydrophobicContact CE1-CB 3.63Å; Y149-M164 HydrophobicContact CE2-CB 3.44Å; Y149-M164 VanDerWaalsContact CE2-CB 3.44Å; Y149-M164 HydrophobicContact CE2-CG 3.78Å; Y149-M164 HydrophobicContact CG-CB 4.2Å; Y149-M164 PolarHBondContact N-O 3.05Å; Y149-M164 PolarHBondContact O-N 3.39Å; Y149-V166 HydrophobicContact CE1-CG1 4.23Å; Y149-V166 HydrophobicContact CE1-CG2 4.41Å; Y149-P178 WeakPolarHBondContact OH-CB 3.33Å; Y149-P178 WeakPolarHBondContact OH-CG 3.21Å
150	T	98	Very high	95.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.1	-175.3	-53.3	0	0	0	0	110.2	L131 N132 A153 A161 S162 M189 F190 P192	L131-T150 CarbonylContact C-O 3.47Å; L131-T150 VanDerWaalsContact CA-O 3.26Å; L131-T150 WeakPolarHBondContact CA-O 3.41Å; N132-T150 PolarHBondContact N-O 3.16Å; N132-T150 PolarHBondContact O-N 2.83Å; T150-A153 HydrophobicContact CG2-CB 4.16Å; T150-A161 HydrophobicContact CG2-CB 4.43Å; T150-S162 CarbonylContact C-O 3.59Å; T150-S162 WeakPolarHBondContact CA-O 3.34Å; T150-M189 HydrophobicContact CG2-CG 4.41Å; T150-M189 HydrophobicContact CG2-SD 4.37Å; T150-F190 WeakPolarHBondContact CB-O 3.32Å; T150-F190 VanDerWaalsContact CG2-O 3.31Å; T150-F190 WeakPolarHBondContact CG2-O 3.33Å; T150-F190 PolarHBondContact OG1-O 2.77Å; T150-P192 VanDerWaalsContact OG1-CD 3.28Å; T150-P192 WeakPolarHBondContact OG1-CD 3.26Å
151	L	97.3	Very high	95.6	Very high	51 Å²	51	44.8 Å²	44.8	27%	0.267	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.9	168.8	-63.8	173	0	0	0	109.4	D124 L131 Y149 A153 A161 S162 M164	D124-L151 HydrophobicContact CB-CD2 4.36Å; L131-L151 HydrophobicContact CB-CD2 3.8Å; Y149-L151 HydrophobicContact CD2-CD2 4.46Å; Y149-L151 HydrophobicContact CE2-CD2 4.03Å; Y149-L151 HydrophobicContact CE2-CG 4.1Å; L151-A153 PolarHBondContact O-N 3.5Å; L151-A161 WeakPolarHBondContact O-CA 3.38Å; L151-S162 PolarHBondContact N-O 3.19Å; L151-S162 PolarHBondContact O-N 3.41Å; L151-M164 HydrophobicContact CD1-CG 3.68Å; L151-M164 HydrophobicContact CD1-SD 4.16Å; L151-M164 HydrophobicContact CG-CG 3.85Å
152	C	95.6	Very high	95.7	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.054	22%	0.222	C	C	.	.	S	Bend	trans	58.7	43.9	173.4	178	0	0	0	0	112.7	D129 G130 H154 K155 C158 V160 A161	D129-C152 PolarHBondContact O-N 2.85Å; D129-C152 VanDerWaalsContact OD2-CA 3.28Å; D129-C152 WeakPolarHBondContact OD2-CA 3.2Å; G130-C152 PolarHBondContact O-N 2.89Å; C152-H154 VanDerWaalsContact C-N 3.3Å; C152-H154 PolarHBondContact O-N 2.85Å; C152-K155 PolarHBondContact O-N 2.98Å; C152-C158 HydrophobicContact CB-CB 3.9Å; C152-C158 WeakPolarHBondContact CB-SG 3.26Å; C152-C158 WeakPolarHBondContact SG-CB 3.37Å; C152-C158 CovalentContact SG-SG 1.99Å; C152-C158 PolarHBondContact SG-SG 3.01Å; C152-V160 PolarHBondContact SG-O 2.79Å; C152-V160 VanDerWaalsContact SG-O 3.41Å; C152-A161 WeakPolarHBondContact O-CB 3.31Å
153	A	95.2	Very high	95.7	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	-67.8	-29.6	-176.1	0	0	0	0	0	113	D129 N132 T150 L151 M189	D129-A153 PolarHBondContact OD2-N 3.18Å; N132-A153 HydrophobicContact CB-CB 4.37Å; N132-A153 WeakPolarHBondContact ND2-CB 3.3Å; T150-A153 HydrophobicContact CG2-CB 4.16Å; L151-A153 PolarHBondContact O-N 3.5Å; A153-M189 HydrophobicContact CB-CG 4.45Å; A153-M189 HydrophobicContact CB-SD 4.24Å
154	H	93.4	Very high	95.8	Very high	73 Å²	73	37.5 Å²	37.5	34%	0.338	20%	0.197	S	C	.	.	S	Bend	trans	-97.2	-7.8	-177	-44.8	93.8	0	0	0	112.8	D97 E98 D129 N132 C152 V156	D97-H154 PolarHBondContact O-CE1 2.93Å; E98-H154 HydrophobicContact CG-CB 4.31Å; D129-H154 IonicContact OD1-CE1 3.37Å; D129-H154 IonicContact OD1-CG 3.7Å; D129-H154 IonicContact OD1-ND1 2.88Å; D129-H154 PolarHBondContact OD1-ND1 2.78Å; D129-H154 VanDerWaalsContact OD2-C 3.3Å; D129-H154 VanDerWaalsContact OD2-CA 3.29Å; D129-H154 WeakPolarHBondContact OD2-CA 3.36Å; D129-H154 WeakPolarHBondContact OD2-CB 3.27Å; D129-H154 PolarHBondContact OD2-N 2.8Å; D129-H154 IonicContact OD2-ND1 3.16Å; N132-H154 PolarHBondContact ND2-CE1 3.37Å; C152-H154 VanDerWaalsContact C-N 3.3Å; C152-H154 PolarHBondContact O-N 2.85Å; H154-V156 VanDerWaalsContact C-N 3.31Å; H154-V156 HydrophobicContact CB-CG2 4.15Å; H154-V156 PolarHBondContact O-N 2.91Å
155	K	92.4	Very high	95.8	Very high	97 Å²	97	36.8 Å²	36.8	42%	0.422	19%	0.193	S	C	.	.			trans	62.1	32.6	-178.9	-57.6	-179.6	-179.4	176.5	0	113.7	D129 C152 N157 C158	D129-K155 PolarHBondContact OD2-N 3.45Å; C152-K155 PolarHBondContact O-N 2.98Å; K155-N157 PolarHBondContact O-N 3.49Å; K155-C158 CarbonylContact C-O 3.55Å
156	V	91.9	Very high	95.8	Very high	41 Å²	41	36.8 Å²	36.8	25%	0.248	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	109.6	177.5	178.7	0	0	0	0	110.7	E98 S128 D129 H154 C158	E98-V156 HydrophobicContact CG-CG2 4.35Å; S128-V156 PolarHBondContact OG-O 2.88Å; D129-V156 HydrophobicContact CB-CB 4.07Å; D129-V156 PolarHBondContact OD2-N 3.35Å; H154-V156 VanDerWaalsContact C-N 3.31Å; H154-V156 HydrophobicContact CB-CG2 4.15Å; H154-V156 PolarHBondContact O-N 2.91Å; V156-C158 PolarHBondContact O-N 3.1Å; V156-C158 PolarHBondContact O-SG 3.15Å
157	N	93.1	Very high	95.8	Very high	145 Å²	145	39.8 Å²	39.8	78%	0.775	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	24	-173.9	-51.3	-49.7	0	0	0	114.9	S128 K155	S128-N157 WeakPolarHBondContact OG-CB 3.27Å; S128-N157 PolarHBondContact OG-ND2 3.26Å; S128-N157 VanDerWaalsContact OG-ND2 3.13Å; K155-N157 PolarHBondContact O-N 3.49Å
158	C	90.9	Very high	95.8	Very high	34 Å²	34	39.9 Å²	39.9	23%	0.23	20%	0.204	C	C	.	.			trans	-145.3	141.4	176.9	51.2	0	0	0	0	109.2	C152 K155 V156	C152-C158 HydrophobicContact CB-CB 3.9Å; C152-C158 WeakPolarHBondContact CB-SG 3.26Å; C152-C158 WeakPolarHBondContact SG-CB 3.37Å; C152-C158 CovalentContact SG-SG 1.99Å; C152-C158 PolarHBondContact SG-SG 3.01Å; K155-C158 CarbonylContact C-O 3.55Å; V156-C158 PolarHBondContact O-N 3.1Å; V156-C158 PolarHBondContact O-SG 3.15Å
159	Q	89.2	Confident	95.7	Very high	180 Å²	180	47.2 Å²	47.2	84%	0.841	24%	0.236	S	C	*	.	S	Bend	trans	-89.6	-24	-172.5	-65.7	-62.8	-46.7	0	0	113
160	V	93.2	Very high	95.7	Very high	75 Å²	75	49.4 Å²	49.4	46%	0.455	25%	0.248	S	C	.	.			trans	-134.8	126.5	-169	174.4	0	0	0	0	108.9	C152 T187	C152-V160 PolarHBondContact SG-O 2.79Å; C152-V160 VanDerWaalsContact SG-O 3.41Å; V160-T187 HydrophobicContact CG1-CG2 3.71Å
161	A	96	Very high	95.7	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.025	25%	0.249	C	C	.	.			trans	-75.6	150.4	167.7	0	0	0	0	0	109.8	T150 L151 C152 M189	T150-A161 HydrophobicContact CG2-CB 4.43Å; L151-A161 WeakPolarHBondContact O-CA 3.38Å; C152-A161 WeakPolarHBondContact O-CB 3.31Å; A161-M189 HydrophobicContact CB-CB 3.73Å; A161-M189 HydrophobicContact CB-CG 3.54Å
162	S	97.2	Very high	95.7	Very high	26 Å²	26	47.2 Å²	47.2	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.5	174.8	-67.8	0	0	0	0	111.1	T150 L151 S182	T150-S162 CarbonylContact C-O 3.59Å; T150-S162 WeakPolarHBondContact CA-O 3.34Å; L151-S162 PolarHBondContact N-O 3.19Å; L151-S162 PolarHBondContact O-N 3.41Å; S162-S182 VanDerWaalsContact CA-OG 3.24Å; S162-S182 WeakPolarHBondContact CA-OG 3.31Å
163	T	98.2	Very high	95.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.2	169	-55.9	0	0	0	0	108.5	I148 N180 L181 S182 I185 F190 L225	I148-T163 HydrophobicContact CG2-CG2 3.64Å; T163-N180 PolarHBondContact O-OD1 3.38Å; T163-L181 HydrophobicContact CG2-CB 4.26Å; T163-L181 HydrophobicContact CG2-CD1 4.3Å; T163-L181 WeakPolarHBondContact O-CB 3.27Å; T163-L181 PolarHBondContact O-N 3.06Å; T163-S182 PolarHBondContact N-OG 3.23Å; T163-S182 PolarHBondContact O-N 2.81Å; T163-S182 PolarHBondContact O-OG 2.79Å; T163-I185 HydrophobicContact CG2-CD1 4.06Å; T163-F190 HydrophobicContact CG2-CD1 4.16Å; T163-L225 HydrophobicContact CG2-CD1 4.4Å
164	M	98.4	Very high	96	Very high	19 Å²	19	54.4 Å²	54.4	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.5	-173.5	-57.2	-58.7	-65.3	0	0	110.2	I148 Y149 L151 P178 R179 N180	I148-M164 WeakPolarHBondContact CA-O 3.32Å; I148-M164 WeakPolarHBondContact CG2-O 3.47Å; Y149-M164 HydrophobicContact CD1-CB 4.07Å; Y149-M164 HydrophobicContact CD2-CB 3.89Å; Y149-M164 HydrophobicContact CD2-CG 4.36Å; Y149-M164 HydrophobicContact CE1-CB 3.63Å; Y149-M164 HydrophobicContact CE2-CB 3.44Å; Y149-M164 VanDerWaalsContact CE2-CB 3.44Å; Y149-M164 HydrophobicContact CE2-CG 3.78Å; Y149-M164 HydrophobicContact CG-CB 4.2Å; Y149-M164 PolarHBondContact N-O 3.05Å; Y149-M164 PolarHBondContact O-N 3.39Å; L151-M164 HydrophobicContact CD1-CG 3.68Å; L151-M164 HydrophobicContact CD1-SD 4.16Å; L151-M164 HydrophobicContact CG-CG 3.85Å; M164-P178 HydrophobicContact CE-CB 3.71Å; M164-R179 CarbonylContact C-O 3.53Å; M164-R179 WeakPolarHBondContact CA-O 3.23Å; M164-N180 HydrophobicContact CE-CB 4Å; M164-N180 HydrophobicContact SD-CB 3.81Å
165	L	98.3	Very high	96.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.4	178.3	171.2	152.4	0	0	0	110	F146 L147 I148 W167 R179 L181 W234	F146-L165 HydrophobicContact CB-CD1 4.29Å; F146-L165 HydrophobicContact CD1-CD1 3.79Å; F146-L165 HydrophobicContact CD1-CD2 4.02Å; F146-L165 HydrophobicContact CD1-CG 4.18Å; F146-L165 HydrophobicContact CE1-CD2 4.49Å; F146-L165 HydrophobicContact CG-CD1 4.35Å; L147-L165 WeakPolarHBondContact O-CA 3.48Å; I148-L165 HydrophobicContact CD1-CD1 4.12Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG1-CD1 4.02Å; I148-L165 HydrophobicContact CG1-CG 4.43Å; L165-W167 HydrophobicContact CD2-CD2 4.47Å; L165-W167 HydrophobicContact CD2-CE3 3.39Å; L165-W167 HydrophobicContact CD2-CZ3 3.89Å; L165-R179 HydrophobicContact CD2-CB 4.4Å; L165-R179 PolarHBondContact N-O 2.89Å; L165-R179 PolarHBondContact O-N 3.23Å; L165-L181 HydrophobicContact CB-CD1 3.7Å; L165-L181 HydrophobicContact CB-CD2 4.2Å; L165-L181 HydrophobicContact CB-CG 3.74Å; L165-L181 HydrophobicContact CD1-CD1 3.9Å; L165-L181 HydrophobicContact CD1-CD2 4.32Å; L165-L181 HydrophobicContact CD1-CG 4.44Å; L165-L181 HydrophobicContact CG-CD1 4.44Å; L165-W234 HydrophobicContact CD1-CZ2 4.17Å
166	V	98.7	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154	164.1	-69.3	0	0	0	0	108.7	V122 L147 Y149 W175 P178	V122-V166 HydrophobicContact CG2-CG1 3.92Å; V122-V166 HydrophobicContact CG2-CG2 4.25Å; L147-V166 HydrophobicContact CB-CG2 3.93Å; L147-V166 HydrophobicContact CD2-CG2 4.3Å; L147-V166 PolarHBondContact N-O 2.66Å; L147-V166 PolarHBondContact O-N 3.5Å; Y149-V166 HydrophobicContact CE1-CG1 4.23Å; Y149-V166 HydrophobicContact CE1-CG2 4.41Å; V166-W175 HydrophobicContact CB-CE3 4.1Å; V166-W175 HydrophobicContact CG2-CE3 3.72Å; V166-W175 HydrophobicContact CG2-CZ3 4.08Å; V166-P178 HydrophobicContact CG1-CB 4.22Å; V166-P178 HydrophobicContact CG1-CG 4.01Å
167	W	98.7	Very high	96.8	Very high	73 Å²	73	52.2 Å²	52.2	28%	0.277	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.5	178.3	66.2	85.6	0	0	0	112.7	V144 V145 F146 L165 W175 S176 R179	V144-W167 HydrophobicContact CG1-CB 3.91Å; V144-W167 HydrophobicContact CG1-CG 4.39Å; V145-W167 CarbonylContact O-C 3.53Å; V145-W167 WeakPolarHBondContact O-CA 3.25Å; V145-W167 WeakPolarHBondContact O-CB 3.46Å; F146-W167 HydrophobicContact CD1-CB 3.64Å; F146-W167 HydrophobicContact CE1-CB 3.87Å; F146-W167 HydrophobicContact CE1-CG 4.39Å; L165-W167 HydrophobicContact CD2-CD2 4.47Å; L165-W167 HydrophobicContact CD2-CE3 3.39Å; L165-W167 HydrophobicContact CD2-CZ3 3.89Å; W167-W175 VanDerWaalsContact C-CE3 3.46Å; W167-W175 CarbonylContact O-C 3.53Å; W167-W175 WeakPolarHBondContact O-CA 3.43Å; W167-S176 VanDerWaalsContact CD2-CB 3.42Å; W167-S176 VanDerWaalsContact CZ2-CB 3.43Å; W167-S176 WeakPolarHBondContact CZ3-OG 3.49Å; W167-S176 PolarHBondContact N-OG 2.98Å; W167-S176 PolarHBondContact O-N 2.93Å; W167-R179 HydrophobicContact CZ3-CB 3.86Å
168	S	98.7	Very high	97	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	167.7	174.5	0	0	0	0	109.9	V144 V145 D170 G172 S174	V144-S168 WeakPolarHBondContact CA-O 3.43Å; V145-S168 PolarHBondContact N-O 3.14Å; V145-S168 PolarHBondContact O-N 3.12Å; S168-D170 PolarHBondContact OG-N 2.87Å; S168-D170 PolarHBondContact OG-OD1 3.1Å; S168-G172 VanDerWaalsContact OG-CA 3.27Å; S168-G172 WeakPolarHBondContact OG-CA 3.33Å; S168-G172 PolarHBondContact OG-N 2.85Å; S168-S174 WeakPolarHBondContact CA-O 3.29Å; S168-S174 WeakPolarHBondContact CB-O 3.38Å; S168-S174 PolarHBondContact OG-O 2.6Å
169	K	98.1	Very high	97.4	Very high	155 Å²	155	50.5 Å²	50.5	67%	0.674	27%	0.267	S	S	*	.	S	Bend	trans	-103	0.9	173.5	-56	-167	170.4	179.9	0	112.5	V144	V144-K169 HydrophobicContact CG2-CG 4.12Å
170	D	98.1	Very high	97.8	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-130.7	37.4	-169	65.4	-3.6	0	0	0	111.9	S168 V173 S174	S168-D170 PolarHBondContact OG-N 2.87Å; S168-D170 PolarHBondContact OG-OD1 3.1Å; D170-V173 HydrophobicContact CB-CB 4.49Å; D170-V173 WeakPolarHBondContact O-CB 3.17Å; D170-V173 VanDerWaalsContact O-CG2 3.25Å; D170-V173 WeakPolarHBondContact O-CG2 3.43Å; D170-V173 PolarHBondContact O-N 2.71Å; D170-V173 PolarHBondContact OD1-N 2.66Å; D170-S174 VanDerWaalsContact CG-N 3.33Å; D170-S174 PolarHBondContact OD1-N 3.45Å; D170-S174 VanDerWaalsContact OD1-O 3.06Å; D170-S174 VanDerWaalsContact OD2-CB 3.3Å; D170-S174 WeakPolarHBondContact OD2-CB 3.04Å; D170-S174 PolarHBondContact OD2-N 2.92Å; D170-S174 VanDerWaalsContact OD2-N 3.12Å; D170-S174 PolarHBondContact OD2-OG 2.59Å
171	D	97.3	Very high	98	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.032	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	28.2	173.5	-141.6	45.1	0	0	0	115.5	T79 R81 T83 R107	T79-D171 VanDerWaalsContact CB-OD1 3.31Å; T79-D171 WeakPolarHBondContact CB-OD1 3.1Å; T79-D171 PolarHBondContact OG1-OD1 3.02Å; R81-D171 VanDerWaalsContact CZ-CB 3.46Å; R81-D171 IonicContact CZ-OD1 3.6Å; R81-D171 IonicContact NE-OD1 2.71Å; R81-D171 PolarHBondContact NE-OD1 2.92Å; R81-D171 IonicContact NE-OD2 3.82Å; R81-D171 VanDerWaalsContact NH2-N 3.19Å; R81-D171 IonicContact NH2-OD1 2.92Å; T83-D171 WeakPolarHBondContact CB-OD2 3.35Å; T83-D171 PolarHBondContact OG1-OD2 3.31Å; R107-D171 WeakPolarHBondContact CD-O 3.45Å; R107-D171 IonicContact CZ-OD2 2.82Å; R107-D171 PolarHBondContact NE-O 2.76Å; R107-D171 IonicContact NH2-OD2 3.61Å; R107-D171 PolarHBondContact NH2-OD2 3.03Å
172	G	98.1	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	18.6	-175.9	0	0	0	0	0	113.9	M105 S168	M105-G172 WeakPolarHBondContact CE-O 3.46Å; S168-G172 VanDerWaalsContact OG-CA 3.27Å; S168-G172 WeakPolarHBondContact OG-CA 3.33Å; S168-G172 PolarHBondContact OG-N 2.85Å
173	V	98.2	Very high	98	Very high	98 Å²	98	46 Å²	46	59%	0.594	25%	0.249	S	C	*	.	S	Bend	trans	-80.5	-47.3	176.6	173.4	0	0	0	0	111	D170	D170-V173 HydrophobicContact CB-CB 4.49Å; D170-V173 WeakPolarHBondContact O-CB 3.17Å; D170-V173 VanDerWaalsContact O-CG2 3.25Å; D170-V173 WeakPolarHBondContact O-CG2 3.43Å; D170-V173 PolarHBondContact O-N 2.71Å; D170-V173 PolarHBondContact OD1-N 2.66Å
174	S	98.2	Very high	97.7	Very high	66 Å²	66	49.3 Å²	49.3	46%	0.462	27%	0.266	S	S	.	.	S	Bend	trans	-129	156.9	173.9	73.9	0	0	0	0	111.5	S168 D170	S168-S174 WeakPolarHBondContact CA-O 3.29Å; S168-S174 WeakPolarHBondContact CB-O 3.38Å; S168-S174 PolarHBondContact OG-O 2.6Å; D170-S174 VanDerWaalsContact CG-N 3.33Å; D170-S174 PolarHBondContact OD1-N 3.45Å; D170-S174 VanDerWaalsContact OD1-O 3.06Å; D170-S174 VanDerWaalsContact OD2-CB 3.3Å; D170-S174 WeakPolarHBondContact OD2-CB 3.04Å; D170-S174 PolarHBondContact OD2-N 2.92Å; D170-S174 VanDerWaalsContact OD2-N 3.12Å; D170-S174 PolarHBondContact OD2-OG 2.59Å
175	W	98.6	Very high	97.6	Very high	42 Å²	42	49.4 Å²	49.4	16%	0.159	27%	0.267	C	S	.	.			trans	-127.1	145	-175.5	-68.3	82.6	0	0	0	110.4	F87 M105 I121 V145 L147 V166 W167	F87-W175 AromaticContact CE1-CH2 3.73Å; F87-W175 HydrophobicContact CE1-CH2 3.73Å; F87-W175 AromaticContact CE1-CZ2 3.47Å; F87-W175 HydrophobicContact CE1-CZ2 3.47Å; F87-W175 VanDerWaalsContact CE1-CZ2 3.47Å; F87-W175 AromaticContact CZ-CH2 3.67Å; F87-W175 HydrophobicContact CZ-CH2 3.67Å; F87-W175 AromaticContact CZ-CZ2 3.6Å; F87-W175 HydrophobicContact CZ-CZ2 3.6Å; M105-W175 HydrophobicContact SD-CZ2 3.84Å; M105-W175 PolarHBondContact SD-NE1 2.98Å; M105-W175 VanDerWaalsContact SD-NE1 3.4Å; I121-W175 HydrophobicContact CB-CB 4.49Å; I121-W175 HydrophobicContact CB-CD2 4.48Å; I121-W175 HydrophobicContact CB-CG 4.02Å; I121-W175 HydrophobicContact CD1-CD2 3.87Å; I121-W175 HydrophobicContact CD1-CE3 4.23Å; I121-W175 HydrophobicContact CD1-CG 4.31Å; I121-W175 HydrophobicContact CD1-CH2 4.4Å; I121-W175 HydrophobicContact CD1-CZ2 4.07Å; I121-W175 HydrophobicContact CD1-CZ3 4.48Å; I121-W175 VanDerWaalsContact CG2-CD1 3.43Å; I121-W175 HydrophobicContact CG2-CG 4.07Å; V145-W175 HydrophobicContact CB-CH2 4.39Å; V145-W175 HydrophobicContact CG1-CH2 3.99Å; L147-W175 HydrophobicContact CB-CH2 4.26Å; L147-W175 HydrophobicContact CB-CZ3 3.88Å; V166-W175 HydrophobicContact CB-CE3 4.1Å; V166-W175 HydrophobicContact CG2-CE3 3.72Å; V166-W175 HydrophobicContact CG2-CZ3 4.08Å; W167-W175 VanDerWaalsContact C-CE3 3.46Å; W167-W175 CarbonylContact O-C 3.53Å; W167-W175 WeakPolarHBondContact O-CA 3.43Å
176	S	98.6	Very high	97.5	Very high	17 Å²	17	51 Å²	51	12%	0.119	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63.9	160.7	174.3	71	0	0	0	0	111.9	W167	W167-S176 VanDerWaalsContact CD2-CB 3.42Å; W167-S176 VanDerWaalsContact CZ2-CB 3.43Å; W167-S176 WeakPolarHBondContact CZ3-OG 3.49Å; W167-S176 PolarHBondContact N-OG 2.98Å; W167-S176 PolarHBondContact O-N 2.93Å
177	P	97.9	Very high	97.3	Very high	106 Å²	106	55.1 Å²	55.1	69%	0.688	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-55.6	151.5	157.1	-21.8	33.8	0	0	0	111.1	R179	P177-R179 PolarHBondContact O-N 3.49Å
178	P	97.7	Very high	97	Very high	70 Å²	70	55.7 Å²	55.7	46%	0.455	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-59	129.7	174.7	-27.3	36.5	0	0	0	113.3	Y149 M164 V166	Y149-P178 WeakPolarHBondContact OH-CB 3.33Å; Y149-P178 WeakPolarHBondContact OH-CG 3.21Å; M164-P178 HydrophobicContact CE-CB 3.71Å; V166-P178 HydrophobicContact CG1-CB 4.22Å; V166-P178 HydrophobicContact CG1-CG 4.01Å
179	R	98	Very high	96.9	Very high	72 Å²	72	56.2 Å²	56.2	27%	0.272	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.1	166.5	172.6	-177.9	174.1	-178.5	2.6	109.3	M164 L165 W167 P177 L181 D184 G231 A232	M164-R179 CarbonylContact C-O 3.53Å; M164-R179 WeakPolarHBondContact CA-O 3.23Å; L165-R179 HydrophobicContact CD2-CB 4.4Å; L165-R179 PolarHBondContact N-O 2.89Å; L165-R179 PolarHBondContact O-N 3.23Å; W167-R179 HydrophobicContact CZ3-CB 3.86Å; P177-R179 PolarHBondContact O-N 3.49Å; R179-L181 HydrophobicContact CG-CD2 4.42Å; R179-L181 PolarHBondContact O-N 3.43Å; R179-D184 IonicContact CZ-OD2 3.58Å; R179-D184 IonicContact NE-OD2 3.84Å; R179-D184 IonicContact NH2-OD2 2.71Å; R179-D184 PolarHBondContact NH2-OD2 2.87Å; R179-G231 PolarHBondContact NH1-O 3Å; R179-A232 VanDerWaalsContact CZ-O 3.23Å; R179-A232 PolarHBondContact NH1-O 3.45Å; R179-A232 PolarHBondContact NH2-O 2.77Å
180	N	97.7	Very high	96.9	Very high	62 Å²	62	49 Å²	49	33%	0.332	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	105.2	174.1	-170.4	-9.8	0	0	0	110.1	T163 M164 S182 V183	T163-N180 PolarHBondContact O-OD1 3.38Å; M164-N180 HydrophobicContact CE-CB 4Å; M164-N180 HydrophobicContact SD-CB 3.81Å; N180-S182 VanDerWaalsContact C-N 3.25Å; N180-S182 PolarHBondContact O-N 2.85Å; N180-S182 WeakPolarHBondContact OD1-CB 3.45Å; N180-S182 PolarHBondContact OD1-N 2.87Å; N180-S182 PolarHBondContact OD1-OG 2.95Å; N180-V183 HydrophobicContact CB-CG2 4.45Å
181	L	97.7	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.3	177.1	-69.3	-174.2	0	0	0	112.7	I148 T163 L165 R179 V183 D184 I185 W234	I148-L181 HydrophobicContact CD1-CD1 4.14Å; I148-L181 HydrophobicContact CG2-CD1 4.23Å; T163-L181 HydrophobicContact CG2-CB 4.26Å; T163-L181 HydrophobicContact CG2-CD1 4.3Å; T163-L181 WeakPolarHBondContact O-CB 3.27Å; T163-L181 PolarHBondContact O-N 3.06Å; L165-L181 HydrophobicContact CB-CD1 3.7Å; L165-L181 HydrophobicContact CB-CD2 4.2Å; L165-L181 HydrophobicContact CB-CG 3.74Å; L165-L181 HydrophobicContact CD1-CD1 3.9Å; L165-L181 HydrophobicContact CD1-CD2 4.32Å; L165-L181 HydrophobicContact CD1-CG 4.44Å; L165-L181 HydrophobicContact CG-CD1 4.44Å; R179-L181 HydrophobicContact CG-CD2 4.42Å; R179-L181 PolarHBondContact O-N 3.43Å; L181-V183 PolarHBondContact O-N 3.32Å; L181-D184 WeakPolarHBondContact O-CA 3.42Å; L181-D184 WeakPolarHBondContact O-CB 2.92Å; L181-D184 PolarHBondContact O-N 2.85Å; L181-I185 WeakPolarHBondContact O-CG1 3.29Å; L181-I185 PolarHBondContact O-N 2.57Å; L181-W234 HydrophobicContact CD1-CG 4.33Å; L181-W234 HydrophobicContact CD2-CG 4.35Å
182	S	97.1	Very high	96.8	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-18	177.8	-35.9	0	0	0	0	113	S162 T163 N180 D184 G186	S162-S182 VanDerWaalsContact CA-OG 3.24Å; S162-S182 WeakPolarHBondContact CA-OG 3.31Å; T163-S182 PolarHBondContact N-OG 3.23Å; T163-S182 PolarHBondContact O-N 2.81Å; T163-S182 PolarHBondContact O-OG 2.79Å; N180-S182 VanDerWaalsContact C-N 3.25Å; N180-S182 PolarHBondContact O-N 2.85Å; N180-S182 WeakPolarHBondContact OD1-CB 3.45Å; N180-S182 PolarHBondContact OD1-N 2.87Å; N180-S182 PolarHBondContact OD1-OG 2.95Å; S182-D184 VanDerWaalsContact C-N 3.28Å; S182-G186 VanDerWaalsContact CA-O 3.24Å; S182-G186 WeakPolarHBondContact CA-O 3.21Å; S182-G186 VanDerWaalsContact CB-O 3.27Å; S182-G186 WeakPolarHBondContact CB-O 3.5Å; S182-G186 CarbonylContact O-C 3.56Å; S182-G186 WeakPolarHBondContact O-CA 3.24Å; S182-G186 PolarHBondContact O-N 2.89Å
183	V	95.5	Very high	96.6	Very high	119 Å²	119	47 Å²	47	72%	0.721	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-33.4	171	179.6	0	0	0	0	111.4	N180 L181	N180-V183 HydrophobicContact CB-CG2 4.45Å; L181-V183 PolarHBondContact O-N 3.32Å
184	D	92.7	Very high	96.6	Very high	71 Å²	71	42.9 Å²	42.9	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-90.3	-42.4	-178.6	-55.7	-30.9	0	0	0	111.1	R179 L181 S182	R179-D184 IonicContact CZ-OD2 3.58Å; R179-D184 IonicContact NE-OD2 3.84Å; R179-D184 IonicContact NH2-OD2 2.71Å; R179-D184 PolarHBondContact NH2-OD2 2.87Å; L181-D184 WeakPolarHBondContact O-CA 3.42Å; L181-D184 WeakPolarHBondContact O-CB 2.92Å; L181-D184 PolarHBondContact O-N 2.85Å; S182-D184 VanDerWaalsContact C-N 3.28Å
185	I	96	Very high	96.4	Very high	20 Å²	20	39.7 Å²	39.7	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-104.1	-4.5	-169.4	73.8	177.1	0	0	0	114.3	T163 L181 L225 W234 Y236	T163-I185 HydrophobicContact CG2-CD1 4.06Å; L181-I185 WeakPolarHBondContact O-CG1 3.29Å; L181-I185 PolarHBondContact O-N 2.57Å; I185-L225 HydrophobicContact CB-CD2 4.47Å; I185-L225 HydrophobicContact CD1-CD1 3.85Å; I185-L225 HydrophobicContact CD1-CD2 3.85Å; I185-L225 HydrophobicContact CG2-CD2 4.12Å; I185-W234 HydrophobicContact CG2-CB 4.13Å; I185-Y236 HydrophobicContact CB-CD2 4.21Å; I185-Y236 HydrophobicContact CB-CE2 3.77Å; I185-Y236 HydrophobicContact CD1-CE2 4.3Å; I185-Y236 HydrophobicContact CG1-CE2 4.22Å; I185-Y236 WeakPolarHBondContact O-CE2 3.34Å
186	G	95.3	Very high	96.3	Very high	33 Å²	33	38.7 Å²	38.7	34%	0.34	23%	0.229	S	C	.	.			trans	84.3	-175.7	-173.4	0	0	0	0	0	113.7	S182	S182-G186 VanDerWaalsContact CA-O 3.24Å; S182-G186 WeakPolarHBondContact CA-O 3.21Å; S182-G186 VanDerWaalsContact CB-O 3.27Å; S182-G186 WeakPolarHBondContact CB-O 3.5Å; S182-G186 CarbonylContact O-C 3.56Å; S182-G186 WeakPolarHBondContact O-CA 3.24Å; S182-G186 PolarHBondContact O-N 2.89Å
187	T	94.3	Very high	96.2	Very high	88 Å²	88	38.3 Å²	38.3	54%	0.54	23%	0.228	S	C	.	.	S	Bend	trans	-109.5	10	-167.6	53	0	0	0	0	114.6	V160 M189	V160-T187 HydrophobicContact CG1-CG2 3.71Å; T187-M189 PolarHBondContact O-N 3.47Å
188	E	93.8	Very high	96.2	Very high	84 Å²	84	34.5 Å²	34.5	39%	0.393	20%	0.202	S	C	.	.	S	Bend	trans	-62	137.2	168.4	-167.4	66.1	-166	0	0	108.5	F190 R219	E188-F190 PolarHBondContact O-N 2.9Å; E188-R219 VanDerWaalsContact CD-NH1 3.29Å; E188-R219 WeakPolarHBondContact OE1-CD 3.49Å; E188-R219 IonicContact OE1-CZ 3.48Å; E188-R219 IonicContact OE1-NE 3.48Å; E188-R219 IonicContact OE1-NH1 2.9Å; E188-R219 PolarHBondContact OE1-NH1 2.87Å; E188-R219 IonicContact OE2-NH1 3.08Å; E188-R219 PolarHBondContact OE2-NH1 3.28Å
189	M	96	Very high	96.3	Very high	13 Å²	13	31.8 Å²	31.8	6%	0.064	18%	0.183	C	C	.	.			trans	-66.9	122.7	-178.7	-167.4	-73.3	-84.8	0	0	109	T150 A153 A161 T187 A191 G215 T216	T150-M189 HydrophobicContact CG2-CG 4.41Å; T150-M189 HydrophobicContact CG2-SD 4.37Å; A153-M189 HydrophobicContact CB-CG 4.45Å; A153-M189 HydrophobicContact CB-SD 4.24Å; A161-M189 HydrophobicContact CB-CB 3.73Å; A161-M189 HydrophobicContact CB-CG 3.54Å; T187-M189 PolarHBondContact O-N 3.47Å; M189-A191 HydrophobicContact SD-CB 4.09Å; M189-G215 WeakPolarHBondContact CE-O 3.29Å; M189-T216 HydrophobicContact CB-CG2 3.86Å; M189-T216 HydrophobicContact CE-CG2 3.61Å; M189-T216 VanDerWaalsContact CE-N 3.29Å; M189-T216 HydrophobicContact CG-CG2 4.25Å
190	F	97.5	Very high	96.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	17%	0.17	C	C	.	.			trans	-126.9	126.5	173.1	171	-99.3	0	0	0	108.2	T150 T163 E188 P192 G213 H214 F223 L225 Y236	T150-F190 WeakPolarHBondContact CB-O 3.32Å; T150-F190 VanDerWaalsContact CG2-O 3.31Å; T150-F190 WeakPolarHBondContact CG2-O 3.33Å; T150-F190 PolarHBondContact OG1-O 2.77Å; T163-F190 HydrophobicContact CG2-CD1 4.16Å; E188-F190 PolarHBondContact O-N 2.9Å; F190-P192 HydrophobicContact CD1-CG 4.2Å; F190-P192 HydrophobicContact CE1-CB 3.81Å; F190-P192 HydrophobicContact CE1-CG 3.78Å; F190-P192 HydrophobicContact CZ-CB 4.3Å; F190-G213 VanDerWaalsContact CE2-CA 3.48Å; F190-H214 WeakPolarHBondContact CA-O 3.42Å; F190-F223 HydrophobicContact CD2-CB 4.44Å; F190-F223 HydrophobicContact CE2-CB 4.27Å; F190-L225 HydrophobicContact CD1-CD1 3.86Å; F190-L225 HydrophobicContact CD1-CG 4.29Å; F190-L225 HydrophobicContact CE1-CD1 3.45Å; F190-L225 VanDerWaalsContact CE1-CD1 3.45Å; F190-L225 HydrophobicContact CE1-CG 3.73Å; F190-L225 HydrophobicContact CE2-CG 4.42Å; F190-L225 HydrophobicContact CZ-CD1 4.06Å; F190-L225 HydrophobicContact CZ-CG 3.8Å; F190-Y236 WeakPolarHBondContact CB-OH 3.46Å; F190-Y236 AromaticContact CD2-CE1 3.97Å; F190-Y236 HydrophobicContact CD2-CE1 3.97Å; F190-Y236 HydrophobicContact CE2-CE1 4.36Å; F190-Y236 HydrophobicContact CG-CE1 4.41Å
191	A	97.3	Very high	96.2	Very high	8 Å²	8	29.7 Å²	29.7	7%	0.066	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.8	173.3	0	0	0	0	0	108.5	M189 G213 H214	M189-A191 HydrophobicContact SD-CB 4.09Å; A191-G213 CarbonylContact O-C 3.55Å; A191-G213 WeakPolarHBondContact O-CA 3.49Å; A191-H214 WeakPolarHBondContact CB-NE2 3.44Å; A191-H214 PolarHBondContact N-O 3.01Å; A191-H214 PolarHBondContact O-CD2 2.88Å; A191-H214 PolarHBondContact O-N 2.53Å
192	P	97.5	Very high	96.1	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.6	179	-1.7	11.2	0	0	0	111.1	G134 A135 I148 T150 F190 P194 V211	G134-P192 CarbonylContact C-O 3.38Å; G134-P192 WeakPolarHBondContact CA-O 3.24Å; A135-P192 HydrophobicContact CB-CB 3.94Å; I148-P192 HydrophobicContact CB-CB 4.48Å; I148-P192 HydrophobicContact CB-CG 3.99Å; I148-P192 HydrophobicContact CG2-CB 4.44Å; I148-P192 HydrophobicContact CG2-CG 3.61Å; T150-P192 VanDerWaalsContact OG1-CD 3.28Å; T150-P192 WeakPolarHBondContact OG1-CD 3.26Å; F190-P192 HydrophobicContact CD1-CG 4.2Å; F190-P192 HydrophobicContact CE1-CB 3.81Å; F190-P192 HydrophobicContact CE1-CG 3.78Å; F190-P192 HydrophobicContact CZ-CB 4.3Å; P192-P194 WeakPolarHBondContact O-CA 3.15Å; P192-V211 HydrophobicContact CB-CG1 3.76Å
193	G	93.4	Very high	96.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	22%	0.217	C	C	.	.			trans	57.6	-123.7	171.4	0	0	0	0	0	114.5	C212 E258 C259	G193-C212 PolarHBondContact N-O 3.17Å; G193-E258 VanDerWaalsContact O-CA 3.27Å; G193-E258 WeakPolarHBondContact O-CA 3.09Å; G193-C259 WeakPolarHBondContact CA-O 3.5Å; G193-C259 PolarHBondContact O-N 2.99Å
194	P	97	Very high	96.2	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.078	20%	0.198	C	C	.	.	S	Bend	cis	-85	149.2	11.2	32.7	-34.9	0	0	0	113.6	I73 G134 P192 Q260 A313 Y364	I73-P194 HydrophobicContact CG2-CB 3.4Å; I73-P194 VanDerWaalsContact CG2-CB 3.4Å; I73-P194 HydrophobicContact CG2-CG 3.83Å; G134-P194 CarbonylContact O-C 3.53Å; G134-P194 WeakPolarHBondContact O-CA 2.77Å; G134-P194 WeakPolarHBondContact O-CB 3.37Å; P192-P194 WeakPolarHBondContact O-CA 3.15Å; P194-Q260 VanDerWaalsContact C-NE2 3.31Å; P194-Q260 PolarHBondContact O-NE2 3.08Å; P194-A313 HydrophobicContact CG-CB 3.9Å; P194-Y364 HydrophobicContact CG-CD2 3.76Å; P194-Y364 HydrophobicContact CG-CE2 3.68Å
195	G	94.5	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-115.9	176.8	0	0	0	0	0	112.3	L75 G134 A135 V136	L75-G195 WeakPolarHBondContact CD2-O 3.38Å; L75-G195 WeakPolarHBondContact CG-O 3.22Å; G134-G195 PolarHBondContact O-N 2.97Å; A135-G195 VanDerWaalsContact CA-O 3.29Å; A135-G195 WeakPolarHBondContact CA-O 3.25Å; V136-G195 PolarHBondContact N-O 3.11Å
196	S	96.1	Very high	96.5	Very high	20 Å²	20	44.5 Å²	44.5	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	-175.8	-62.5	0	0	0	0	113	V136 P261	V136-S196 CarbonylContact O-C 3.51Å; V136-S196 WeakPolarHBondContact O-CA 3.26Å; S196-P261 VanDerWaalsContact O-CD 3.29Å; S196-P261 WeakPolarHBondContact O-CD 3.43Å
197	G	98	Very high	96.7	Very high	10 Å²	10	43.7 Å²	43.7	10%	0.103	22%	0.216	C	C	.	.			trans	-87.9	-179.7	156.1	0	0	0	0	0	110.9	V136 I210	V136-G197 PolarHBondContact O-N 3.33Å; G197-I210 CarbonylContact C-O 3.56Å; G197-I210 WeakPolarHBondContact CA-O 3.26Å
198	I	98	Very high	96.9	Very high	26 Å²	26	39.7 Å²	39.7	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155	177.8	61.4	172.1	0	0	0	111.5	L209 I210 P261 E263 V269	I198-L209 WeakPolarHBondContact O-CA 3.42Å; I198-I210 HydrophobicContact CD1-CD1 4.37Å; I198-I210 HydrophobicContact CG1-CB 3.92Å; I198-I210 HydrophobicContact CG1-CD1 4.44Å; I198-I210 PolarHBondContact N-O 2.71Å; I198-I210 PolarHBondContact O-N 3.39Å; I198-P261 HydrophobicContact CD1-CB 4.34Å; I198-P261 HydrophobicContact CG1-CB 4.39Å; I198-P261 WeakPolarHBondContact CG2-O 3.47Å; I198-E263 HydrophobicContact CD1-CB 4.18Å; I198-V269 HydrophobicContact CD1-CG1 3.8Å; I198-V269 HydrophobicContact CD1-CG2 3.98Å
199	Q	98.1	Very high	97.1	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.4	159.5	-178.8	173.5	40.3	0	0	108.7	D139 D141 Q201 G207 R208 L209	D139-Q199 PolarHBondContact OD1-NE2 2.83Å; D141-Q199 PolarHBondContact OD2-NE2 2.82Å; Q199-Q201 PolarHBondContact O-N 3.28Å; Q199-Q201 PolarHBondContact O-NE2 3.2Å; Q199-G207 WeakPolarHBondContact CG-O 3.27Å; Q199-G207 PolarHBondContact NE2-O 3.05Å; Q199-G207 VanDerWaalsContact NE2-O 3.14Å; Q199-R208 CarbonylContact C-O 3.45Å; Q199-R208 WeakPolarHBondContact CA-O 3.29Å; Q199-L209 HydrophobicContact CB-CD2 3.71Å; Q199-L209 HydrophobicContact CG-CD2 3.78Å
200	K	98	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.17	C	C	.	.			trans	-56.9	122.4	175.8	-80.6	-76	-66.5	147.1	0	111.2	R202 P204 W205 G207 R208 I210 E263 G267 V269 A292	K200-R202 WeakPolarHBondContact CE-O 3.38Å; K200-R202 PolarHBondContact NZ-O 2.87Å; K200-P204 WeakPolarHBondContact CE-O 2.99Å; K200-W205 VanDerWaalsContact CB-O 3.24Å; K200-W205 WeakPolarHBondContact CB-O 3.22Å; K200-G207 PolarHBondContact O-N 3.26Å; K200-R208 HydrophobicContact CB-CB 4.34Å; K200-R208 HydrophobicContact CG-CB 4.25Å; K200-R208 PolarHBondContact N-O 2.82Å; K200-I210 HydrophobicContact CD-CD1 4.2Å; K200-I210 HydrophobicContact CG-CD1 3.79Å; K200-E263 HydrophobicContact CD-CG 4.49Å; K200-E263 IonicContact NZ-OE1 3.59Å; K200-E263 PolarHBondContact NZ-OE1 3.27Å; K200-G267 PolarHBondContact NZ-O 3.05Å; K200-V269 HydrophobicContact CD-CG2 3.85Å; K200-A292 HydrophobicContact CD-CB 4.01Å; K200-A292 HydrophobicContact CG-CB 4.09Å
201	Q	96.3	Very high	97.3	Very high	89 Å²	89	35 Å²	35	42%	0.416	17%	0.169	S	C	.	.			trans	-97.1	-16.7	177.4	-59.8	-56.4	-50.8	0	0	112.6	Q199 K206 E263	Q199-Q201 PolarHBondContact O-N 3.28Å; Q199-Q201 PolarHBondContact O-NE2 3.2Å; Q201-K206 WeakPolarHBondContact O-CD 3.4Å; Q201-K206 WeakPolarHBondContact O-CE 3.23Å; Q201-E263 WeakPolarHBondContact CB-OE2 3.29Å; Q201-E263 PolarHBondContact N-OE1 2.9Å; Q201-E263 PolarHBondContact N-OE2 3.48Å
202	R	96.7	Very high	97.4	Very high	98 Å²	98	34.7 Å²	34.7	37%	0.37	17%	0.167	S	C	.	.	S	Bend	trans	-128.9	164.6	-174.8	-48.4	174.2	-176.3	-94.6	-2.8	111.1	K200 E263 P265 S320	K200-R202 WeakPolarHBondContact CE-O 3.38Å; K200-R202 PolarHBondContact NZ-O 2.87Å; R202-E263 VanDerWaalsContact CB-OE1 3.23Å; R202-E263 WeakPolarHBondContact CB-OE1 3.3Å; R202-E263 PolarHBondContact N-OE1 2.85Å; R202-P265 WeakPolarHBondContact CD-O 3.39Å; R202-P265 PolarHBondContact NE-O 3.34Å; R202-P265 PolarHBondContact NH1-O 2.71Å; R202-S320 PolarHBondContact NH2-O 3.39Å
203	E	97.7	Very high	97.4	Very high	130 Å²	130	34.5 Å²	34.5	61%	0.607	17%	0.165	S	C	*	.	S	Bend	trans	-67.9	157.3	172.2	-66.8	-55	146.5	0	0	112.1	W205 K206	E203-W205 PolarHBondContact OE2-N 2.94Å; E203-W205 VanDerWaalsContact OE2-N 3.1Å; E203-K206 WeakPolarHBondContact OE1-CB 3.39Å
204	P	96.8	Very high	97.6	Very high	50 Å²	50	35.8 Å²	35.8	33%	0.325	17%	0.171	S	C	.	.	S	Bend	cis	-71.5	158	-10.3	32.6	-35.2	0	0	0	111.7	K200	K200-P204 WeakPolarHBondContact CE-O 2.99Å
205	W	97.5	Very high	97.6	Very high	121 Å²	121	35.6 Å²	35.6	46%	0.458	17%	0.171	S	C	.	.	S	Bend	trans	62.6	44.7	173.4	-56.2	107.3	0	0	0	114.1	K200 E203 G207 R208 A292 D294	K200-W205 VanDerWaalsContact CB-O 3.24Å; K200-W205 WeakPolarHBondContact CB-O 3.22Å; E203-W205 PolarHBondContact OE2-N 2.94Å; E203-W205 VanDerWaalsContact OE2-N 3.1Å; W205-G207 PolarHBondContact O-N 2.98Å; W205-R208 HydrophobicContact CB-CB 4.12Å; W205-R208 VanDerWaalsContact O-CB 3.28Å; W205-R208 WeakPolarHBondContact O-CB 3.46Å; W205-R208 PolarHBondContact O-N 3.21Å; W205-R208 VanDerWaalsContact O-N 3.16Å; W205-A292 HydrophobicContact CB-CB 3.8Å; W205-A292 HydrophobicContact CG-CB 4.15Å; W205-D294 PolarHBondContact NE1-OD2 2.86Å; W205-D294 VanDerWaalsContact NE1-OD2 3.11Å
206	K	97.8	Very high	97.6	Very high	132 Å²	132	36.7 Å²	36.7	57%	0.574	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	134	171.2	-177.8	179.4	178.7	-174.7	0	110.2	Q201 E203	Q201-K206 WeakPolarHBondContact O-CD 3.4Å; Q201-K206 WeakPolarHBondContact O-CE 3.23Å; E203-K206 WeakPolarHBondContact OE1-CB 3.39Å
207	G	98.2	Very high	97.4	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-18.5	-178.5	0	0	0	0	0	114.5	Q199 K200 W205 L209	Q199-G207 WeakPolarHBondContact CG-O 3.27Å; Q199-G207 PolarHBondContact NE2-O 3.05Å; Q199-G207 VanDerWaalsContact NE2-O 3.14Å; K200-G207 PolarHBondContact O-N 3.26Å; W205-G207 PolarHBondContact O-N 2.98Å; G207-L209 PolarHBondContact O-N 3.39Å
208	R	98.7	Very high	97.2	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.015	22%	0.219	C	C	.	.			trans	-58.9	132	177.1	175.8	175.8	-75.1	-171.8	-10.7	111.7	Q199 K200 W205 I210 S227 D228 A292 D294	Q199-R208 CarbonylContact C-O 3.45Å; Q199-R208 WeakPolarHBondContact CA-O 3.29Å; K200-R208 HydrophobicContact CB-CB 4.34Å; K200-R208 HydrophobicContact CG-CB 4.25Å; K200-R208 PolarHBondContact N-O 2.82Å; W205-R208 HydrophobicContact CB-CB 4.12Å; W205-R208 VanDerWaalsContact O-CB 3.28Å; W205-R208 WeakPolarHBondContact O-CB 3.46Å; W205-R208 PolarHBondContact O-N 3.21Å; W205-R208 VanDerWaalsContact O-N 3.16Å; R208-I210 HydrophobicContact CG-CG1 3.96Å; R208-S227 WeakPolarHBondContact CA-O 3.34Å; R208-D228 WeakPolarHBondContact CB-OD1 3.4Å; R208-D228 WeakPolarHBondContact CG-OD1 3.33Å; R208-D228 IonicContact CZ-OD1 3.6Å; R208-D228 IonicContact CZ-OD2 3.34Å; R208-D228 IonicContact NE-OD1 2.66Å; R208-D228 PolarHBondContact NE-OD1 3.42Å; R208-D228 IonicContact NE-OD2 3.02Å; R208-D228 IonicContact NH2-OD1 2.8Å; R208-D228 PolarHBondContact NH2-OD1 2.86Å; R208-D228 IonicContact NH2-OD2 3.42Å; R208-D228 PolarHBondContact NH2-OD2 2.88Å; R208-A292 WeakPolarHBondContact CD-O 3.38Å; R208-A292 PolarHBondContact NH1-O 3.05Å; R208-D294 IonicContact CZ-OD1 3.99Å; R208-D294 IonicContact NH1-OD1 2.7Å; R208-D294 PolarHBondContact NH1-OD1 2.87Å; R208-D294 IonicContact NH1-OD2 3.36Å; R208-D294 PolarHBondContact NH1-OD2 2.8Å; R208-D294 IonicContact NH2-OD1 3.74Å; R208-D294 PolarHBondContact NH2-OD1 2.88Å
209	L	98.8	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135	168.9	-51	-179.8	0	0	0	109.6	V137 D139 F146 I198 Q199 G207 L226 S227 W234	V137-L209 HydrophobicContact CG2-CD2 4.32Å; D139-L209 HydrophobicContact CB-CD1 4.35Å; D139-L209 HydrophobicContact CB-CD2 4.08Å; F146-L209 HydrophobicContact CD2-CD1 4.07Å; F146-L209 HydrophobicContact CE2-CD1 3.86Å; I198-L209 WeakPolarHBondContact O-CA 3.42Å; Q199-L209 HydrophobicContact CB-CD2 3.71Å; Q199-L209 HydrophobicContact CG-CD2 3.78Å; G207-L209 PolarHBondContact O-N 3.39Å; L209-L226 WeakPolarHBondContact O-CA 2.89Å; L209-S227 PolarHBondContact N-O 2.96Å; L209-S227 PolarHBondContact O-N 2.97Å; L209-W234 HydrophobicContact CB-CH2 3.77Å; L209-W234 HydrophobicContact CB-CZ3 4.17Å; L209-W234 HydrophobicContact CD1-CH2 4.07Å; L209-W234 HydrophobicContact CD1-CZ2 4.17Å
210	I	98.7	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	-178.5	-56.1	177.6	0	0	0	108.8	G197 I198 K200 R208 C224 L225 L226 V269 A292 C293	G197-I210 CarbonylContact C-O 3.56Å; G197-I210 WeakPolarHBondContact CA-O 3.26Å; I198-I210 HydrophobicContact CD1-CD1 4.37Å; I198-I210 HydrophobicContact CG1-CB 3.92Å; I198-I210 HydrophobicContact CG1-CD1 4.44Å; I198-I210 PolarHBondContact N-O 2.71Å; I198-I210 PolarHBondContact O-N 3.39Å; K200-I210 HydrophobicContact CD-CD1 4.2Å; K200-I210 HydrophobicContact CG-CD1 3.79Å; R208-I210 HydrophobicContact CG-CG1 3.96Å; I210-C224 HydrophobicContact CG2-CB 4.19Å; I210-L225 WeakPolarHBondContact CA-O 3.15Å; I210-L226 HydrophobicContact CB-CD2 4.37Å; I210-L226 HydrophobicContact CG1-CD2 3.96Å; I210-L226 HydrophobicContact CG2-CD2 4.06Å; I210-V269 HydrophobicContact CD1-CG2 4.05Å; I210-A292 HydrophobicContact CD1-CB 4.31Å; I210-A292 WeakPolarHBondContact CD1-O 3.43Å; I210-C293 HydrophobicContact CD1-CB 4.26Å; I210-C293 HydrophobicContact CG2-CB 4.04Å
211	V	98.6	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	109.9	171.6	175	0	0	0	0	108.6	A135 V137 I148 P192 C224 L225 W234	A135-V211 HydrophobicContact CB-CG1 3.74Å; V137-V211 HydrophobicContact CB-CG2 4.15Å; V137-V211 HydrophobicContact CG1-CG2 3.79Å; I148-V211 HydrophobicContact CD1-CB 4.2Å; I148-V211 HydrophobicContact CD1-CG1 4.2Å; I148-V211 HydrophobicContact CD1-CG2 3.89Å; P192-V211 HydrophobicContact CB-CG1 3.76Å; V211-C224 CarbonylContact O-C 3.49Å; V211-C224 WeakPolarHBondContact O-CA 3.37Å; V211-L225 PolarHBondContact N-O 2.96Å; V211-L225 PolarHBondContact O-N 2.8Å; V211-W234 HydrophobicContact CG2-CH2 4.21Å; V211-W234 HydrophobicContact CG2-CZ3 4.16Å
212	C	98.5	Very high	97.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	157.7	176.4	-56.9	0	0	0	0	111.4	G193 F223 C224 P261	G193-C212 PolarHBondContact N-O 3.17Å; C212-F223 CarbonylContact C-O 3.6Å; C212-F223 VanDerWaalsContact CA-O 3.27Å; C212-F223 WeakPolarHBondContact CA-O 3.31Å; C212-C224 HydrophobicContact CB-CB 4.11Å; C212-C224 WeakPolarHBondContact CB-SG 3.27Å; C212-C224 WeakPolarHBondContact SG-CB 3.18Å; C212-C224 CovalentContact SG-SG 2.06Å; C212-C224 PolarHBondContact SG-SG 3.16Å; C212-P261 HydrophobicContact CB-CG 4.42Å
213	G	98.3	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-166.4	-175.7	0	0	0	0	0	111.1	F190 A191 V222 F223	F190-G213 VanDerWaalsContact CE2-CA 3.48Å; A191-G213 CarbonylContact O-C 3.55Å; A191-G213 WeakPolarHBondContact O-CA 3.49Å; G213-V222 WeakPolarHBondContact O-CA 3.29Å; G213-F223 PolarHBondContact N-O 2.88Å; G213-F223 PolarHBondContact O-N 3.48Å
214	H	97.8	Very high	97.2	Very high	28 Å²	28	36 Å²	36	13%	0.13	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	176.1	-168.8	71.9	93.7	0	0	0	112.5	F190 A191 D220 G221 D257	F190-H214 WeakPolarHBondContact CA-O 3.42Å; A191-H214 WeakPolarHBondContact CB-NE2 3.44Å; A191-H214 PolarHBondContact N-O 3.01Å; A191-H214 PolarHBondContact O-CD2 2.88Å; A191-H214 PolarHBondContact O-N 2.53Å; H214-D220 WeakPolarHBondContact CB-OD1 3.23Å; H214-D220 IonicContact CG-OD1 3.67Å; H214-D220 IonicContact ND1-OD1 3.4Å; H214-G221 WeakPolarHBondContact CA-O 3.15Å; H214-G221 WeakPolarHBondContact CB-O 3.19Å; H214-D257 IonicContact CD2-OD1 2.81Å; H214-D257 PolarHBondContact CD2-OD1 3.4Å; H214-D257 IonicContact CE1-OD1 2.77Å; H214-D257 PolarHBondContact CE1-OD1 3.45Å; H214-D257 IonicContact CG-OD1 3.57Å; H214-D257 IonicContact ND1-OD1 3.85Å; H214-D257 PolarHBondContact ND1-OD1 2.82Å; H214-D257 IonicContact NE2-OD1 3.78Å; H214-D257 PolarHBondContact NE2-OD1 3.21Å
215	G	96.3	Very high	97.3	Very high	7 Å²	7	33.6 Å²	33.6	7%	0.072	16%	0.156	C	C	.	.			trans	-106.9	-168	-174.7	0	0	0	0	0	113.3	M189 D220	M189-G215 WeakPolarHBondContact CE-O 3.29Å; G215-D220 PolarHBondContact N-OD1 3.23Å
216	T	94.9	Very high	97.3	Very high	24 Å²	24	27.9 Å²	27.9	15%	0.147	13%	0.134	C	C	.	.			trans	-67.1	158.1	168.6	55.4	0	0	0	0	110.4	M189 E218 R219 D220	M189-T216 HydrophobicContact CB-CG2 3.86Å; M189-T216 HydrophobicContact CE-CG2 3.61Å; M189-T216 VanDerWaalsContact CE-N 3.29Å; M189-T216 HydrophobicContact CG-CG2 4.25Å; T216-E218 PolarHBondContact O-N 2.92Å; T216-R219 CarbonylContact O-C 3.38Å; T216-R219 WeakPolarHBondContact O-CA 3.29Å; T216-R219 PolarHBondContact O-N 2.86Å; T216-R219 PolarHBondContact OG1-N 3.45Å; T216-D220 VanDerWaalsContact O-CA 3.27Å; T216-D220 WeakPolarHBondContact O-CA 3.49Å; T216-D220 WeakPolarHBondContact O-CB 3.16Å; T216-D220 PolarHBondContact O-N 2.82Å
217	L	92.4	Very high	97.3	Very high	120 Å²	120	21.6 Å²	21.6	63%	0.628	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-48.4	-37.4	-179.8	-61.9	176.5	0	0	0	114.8	K249	L217-K249 PolarHBondContact O-NZ 3.32Å
218	E	94.2	Very high	97.3	Very high	102 Å²	102	24.4 Å²	24.4	48%	0.477	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-79.4	-30.5	180	-65.9	148.2	167.7	0	0	112.7	T216 G246 Q247 K249	T216-E218 PolarHBondContact O-N 2.92Å; E218-G246 VanDerWaalsContact O-CA 3.31Å; E218-G246 WeakPolarHBondContact O-CA 3.35Å; E218-G246 PolarHBondContact O-N 2.83Å; E218-Q247 WeakPolarHBondContact CA-O 3.31Å; E218-Q247 PolarHBondContact O-N 2.74Å; E218-K249 PolarHBondContact O-NZ 2.81Å
219	R	95.6	Very high	97.3	Very high	107 Å²	107	27 Å²	27	40%	0.404	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-114.5	28.1	-177.8	-62.4	-177.8	177	-174.4	-1.8	112.5	E188 T216 F245	E188-R219 VanDerWaalsContact CD-NH1 3.29Å; E188-R219 WeakPolarHBondContact OE1-CD 3.49Å; E188-R219 IonicContact OE1-CZ 3.48Å; E188-R219 IonicContact OE1-NE 3.48Å; E188-R219 IonicContact OE1-NH1 2.9Å; E188-R219 PolarHBondContact OE1-NH1 2.87Å; E188-R219 IonicContact OE2-NH1 3.08Å; E188-R219 PolarHBondContact OE2-NH1 3.28Å; T216-R219 CarbonylContact O-C 3.38Å; T216-R219 WeakPolarHBondContact O-CA 3.29Å; T216-R219 PolarHBondContact O-N 2.86Å; T216-R219 PolarHBondContact OG1-N 3.45Å; R219-F245 HydrophobicContact CB-CD2 4.4Å; R219-F245 HydrophobicContact CB-CE2 3.65Å; R219-F245 HydrophobicContact CB-CZ 3.93Å; R219-F245 HydrophobicContact CG-CE1 4.47Å; R219-F245 HydrophobicContact CG-CE2 4.07Å; R219-F245 HydrophobicContact CG-CZ 3.95Å
220	D	96.1	Very high	97.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.152	C	C	.	.			trans	-67	167.6	-173.5	-154.2	4	0	0	0	110.9	H214 G215 T216 G242 N255	H214-D220 WeakPolarHBondContact CB-OD1 3.23Å; H214-D220 IonicContact CG-OD1 3.67Å; H214-D220 IonicContact ND1-OD1 3.4Å; G215-D220 PolarHBondContact N-OD1 3.23Å; T216-D220 VanDerWaalsContact O-CA 3.27Å; T216-D220 WeakPolarHBondContact O-CA 3.49Å; T216-D220 WeakPolarHBondContact O-CB 3.16Å; T216-D220 PolarHBondContact O-N 2.82Å; D220-G242 PolarHBondContact O-N 2.76Å; D220-N255 VanDerWaalsContact CB-OD1 3.24Å; D220-N255 WeakPolarHBondContact CB-OD1 3.39Å; D220-N255 PolarHBondContact OD2-ND2 2.78Å
221	G	97.4	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-179.2	-174.3	0	0	0	0	0	111.5	H214 V240 P256	H214-G221 WeakPolarHBondContact CA-O 3.15Å; H214-G221 WeakPolarHBondContact CB-O 3.19Å; G221-V240 CarbonylContact C-O 3.55Å; G221-V240 WeakPolarHBondContact CA-O 3.13Å; G221-P256 CarbonylContact C-O 3.17Å; G221-P256 VanDerWaalsContact CA-O 3.32Å; G221-P256 WeakPolarHBondContact CA-O 3.27Å; G221-P256 PolarHBondContact N-O 2.77Å
222	V	98.2	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.9	168	173.5	0	0	0	0	108.6	G213 G239 V240 P256 C259 I271 A273 L287 L296	G213-V222 WeakPolarHBondContact O-CA 3.29Å; V222-G239 CarbonylContact O-C 3.59Å; V222-G239 WeakPolarHBondContact O-CA 3.45Å; V222-V240 PolarHBondContact N-O 2.66Å; V222-V240 PolarHBondContact O-N 2.74Å; V222-P256 HydrophobicContact CG2-CB 3.88Å; V222-P256 HydrophobicContact CG2-CG 4.41Å; V222-C259 HydrophobicContact CG2-CB 4.26Å; V222-I271 HydrophobicContact CG1-CD1 4.01Å; V222-I271 HydrophobicContact CG1-CG2 3.86Å; V222-A273 HydrophobicContact CG2-CB 3.89Å; V222-L287 HydrophobicContact CB-CD1 4.45Å; V222-L287 HydrophobicContact CB-CD2 4.46Å; V222-L287 HydrophobicContact CG2-CD1 4.12Å; V222-L296 HydrophobicContact CB-CD1 4.38Å; V222-L296 HydrophobicContact CG1-CD1 3.68Å
223	F	97.6	Very high	97.1	Very high	41 Å²	41	36.6 Å²	36.6	18%	0.18	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149	177.8	-49.6	-84.3	0	0	0	108.7	F190 C212 G213 Y236	F190-F223 HydrophobicContact CD2-CB 4.44Å; F190-F223 HydrophobicContact CE2-CB 4.27Å; C212-F223 CarbonylContact C-O 3.6Å; C212-F223 VanDerWaalsContact CA-O 3.27Å; C212-F223 WeakPolarHBondContact CA-O 3.31Å; G213-F223 PolarHBondContact N-O 2.88Å; G213-F223 PolarHBondContact O-N 3.48Å; F223-Y236 HydrophobicContact CB-CD1 4.26Å; F223-Y236 HydrophobicContact CB-CE1 4.18Å
224	C	98.4	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.8	178.4	-53.6	0	0	0	0	111.4	I210 V211 C212 L226 Y236 G237 C293	I210-C224 HydrophobicContact CG2-CB 4.19Å; V211-C224 CarbonylContact O-C 3.49Å; V211-C224 WeakPolarHBondContact O-CA 3.37Å; C212-C224 HydrophobicContact CB-CB 4.11Å; C212-C224 WeakPolarHBondContact CB-SG 3.27Å; C212-C224 WeakPolarHBondContact SG-CB 3.18Å; C212-C224 CovalentContact SG-SG 2.06Å; C212-C224 PolarHBondContact SG-SG 3.16Å; C224-L226 HydrophobicContact CB-CD2 4.16Å; C224-Y236 WeakPolarHBondContact O-CA 3.37Å; C224-G237 PolarHBondContact O-N 2.73Å; C224-C293 HydrophobicContact CB-CB 4.01Å
225	L	98.5	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.4	166.4	-58.2	-176	0	0	0	109.2	T163 I185 F190 I210 V211 W234 H235 Y236	T163-L225 HydrophobicContact CG2-CD1 4.4Å; I185-L225 HydrophobicContact CB-CD2 4.47Å; I185-L225 HydrophobicContact CD1-CD1 3.85Å; I185-L225 HydrophobicContact CD1-CD2 3.85Å; I185-L225 HydrophobicContact CG2-CD2 4.12Å; F190-L225 HydrophobicContact CD1-CD1 3.86Å; F190-L225 HydrophobicContact CD1-CG 4.29Å; F190-L225 HydrophobicContact CE1-CD1 3.45Å; F190-L225 VanDerWaalsContact CE1-CD1 3.45Å; F190-L225 HydrophobicContact CE1-CG 3.73Å; F190-L225 HydrophobicContact CE2-CG 4.42Å; F190-L225 HydrophobicContact CZ-CD1 4.06Å; F190-L225 HydrophobicContact CZ-CG 3.8Å; I210-L225 WeakPolarHBondContact CA-O 3.15Å; V211-L225 PolarHBondContact N-O 2.96Å; V211-L225 PolarHBondContact O-N 2.8Å; L225-W234 HydrophobicContact CB-CE3 3.85Å; L225-W234 HydrophobicContact CB-CZ3 4.4Å; L225-H235 CarbonylContact C-O 3.51Å; L225-H235 WeakPolarHBondContact CA-O 3.46Å; L225-Y236 HydrophobicContact CD2-CD1 3.57Å; L225-Y236 HydrophobicContact CD2-CD2 4.28Å; L225-Y236 HydrophobicContact CD2-CE1 3.38Å; L225-Y236 HydrophobicContact CD2-CE2 4.13Å; L225-Y236 HydrophobicContact CD2-CG 4.02Å; L225-Y236 HydrophobicContact CG-CE1 4.42Å
226	L	98.6	Very high	97.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.7	-175.2	-47.5	177.6	0	0	0	109.5	L209 I210 C224 W234 H235 C293	L209-L226 WeakPolarHBondContact O-CA 2.89Å; I210-L226 HydrophobicContact CB-CD2 4.37Å; I210-L226 HydrophobicContact CG1-CD2 3.96Å; I210-L226 HydrophobicContact CG2-CD2 4.06Å; C224-L226 HydrophobicContact CB-CD2 4.16Å; L226-W234 WeakPolarHBondContact O-CA 3.13Å; L226-H235 PolarHBondContact N-O 3.24Å; L226-H235 PolarHBondContact O-N 2.98Å; L226-H235 PolarHBondContact O-ND1 3.03Å; L226-C293 HydrophobicContact CD2-CB 3.81Å
227	S	98.6	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.3	170.7	175.6	0	0	0	0	110.5	R208 L209 D229 G231 S233	R208-S227 WeakPolarHBondContact CA-O 3.34Å; L209-S227 PolarHBondContact N-O 2.96Å; L209-S227 PolarHBondContact O-N 2.97Å; S227-D229 PolarHBondContact OG-OD1 2.82Å; S227-G231 WeakPolarHBondContact OG-CA 3.13Å; S227-G231 PolarHBondContact OG-N 3.08Å; S227-S233 WeakPolarHBondContact CB-O 3.23Å; S227-S233 PolarHBondContact OG-O 2.89Å
228	D	98.2	Very high	97.4	Very high	75 Å²	75	40 Å²	40	40%	0.401	21%	0.208	S	C	.	.	S	Bend	trans	-107.4	4.3	-179.7	-67.1	-50.1	0	0	0	112.6	R208 H235	R208-D228 WeakPolarHBondContact CB-OD1 3.4Å; R208-D228 WeakPolarHBondContact CG-OD1 3.33Å; R208-D228 IonicContact CZ-OD1 3.6Å; R208-D228 IonicContact CZ-OD2 3.34Å; R208-D228 IonicContact NE-OD1 2.66Å; R208-D228 PolarHBondContact NE-OD1 3.42Å; R208-D228 IonicContact NE-OD2 3.02Å; R208-D228 IonicContact NH2-OD1 2.8Å; R208-D228 PolarHBondContact NH2-OD1 2.86Å; R208-D228 IonicContact NH2-OD2 3.42Å; R208-D228 PolarHBondContact NH2-OD2 2.88Å; D228-H235 IonicContact OD2-CE1 3.7Å
229	D	98.2	Very high	97.6	Very high	60 Å²	60	36.4 Å²	36.4	32%	0.321	20%	0.198	S	C	.	.	S	Bend	trans	-131.1	37.3	-172.2	63.9	1.5	0	0	0	111.9	S227 G231 A232 S233	S227-D229 PolarHBondContact OG-OD1 2.82Å; D229-G231 VanDerWaalsContact C-N 3.31Å; D229-G231 PolarHBondContact O-N 3.27Å; D229-A232 HydrophobicContact CB-CB 4.33Å; D229-A232 WeakPolarHBondContact O-CB 3.41Å; D229-A232 PolarHBondContact O-N 2.9Å; D229-A232 PolarHBondContact OD1-N 2.94Å; D229-A232 VanDerWaalsContact OD1-N 3.08Å; D229-S233 VanDerWaalsContact CG-N 3.31Å; D229-S233 PolarHBondContact OD1-N 2.77Å; D229-S233 WeakPolarHBondContact OD2-CB 3.48Å; D229-S233 PolarHBondContact OD2-N 3.11Å; D229-S233 PolarHBondContact OD2-OG 2.59Å
230	H	98.1	Very high	97.6	Very high	86 Å²	86	31.5 Å²	31.5	40%	0.398	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	40.4	176.8	-60.1	-75.5	0	0	0	113.2	D139 D141 T142 F146 A232	D139-H230 IonicContact OD1-ND1 3.64Å; D139-H230 PolarHBondContact OD1-ND1 3.39Å; D139-H230 WeakPolarHBondContact OD2-CB 3.24Å; D139-H230 IonicContact OD2-CE1 3.59Å; D139-H230 IonicContact OD2-CG 3.81Å; D139-H230 IonicContact OD2-ND1 2.78Å; D139-H230 PolarHBondContact OD2-ND1 2.77Å; D141-H230 IonicContact OD2-CE1 3.9Å; T142-H230 HydrophobicContact CG2-CB 3.99Å; F146-H230 WeakPolarHBondContact CZ-O 3.38Å; H230-A232 VanDerWaalsContact C-N 3.35Å; H230-A232 PolarHBondContact O-N 3.15Å
231	G	97.8	Very high	97.7	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	8.2	176.8	0	0	0	0	0	114.9	R179 S227 D229 W234	R179-G231 PolarHBondContact NH1-O 3Å; S227-G231 WeakPolarHBondContact OG-CA 3.13Å; S227-G231 PolarHBondContact OG-N 3.08Å; D229-G231 VanDerWaalsContact C-N 3.31Å; D229-G231 PolarHBondContact O-N 3.27Å; G231-W234 PolarHBondContact O-NE1 3.43Å
232	A	97.3	Very high	97.7	Very high	58 Å²	58	33.6 Å²	33.6	48%	0.479	20%	0.195	S	C	.	.	S	Bend	trans	-71.9	-37.3	179.1	0	0	0	0	0	111.9	R179 D229 H230	R179-A232 VanDerWaalsContact CZ-O 3.23Å; R179-A232 PolarHBondContact NH1-O 3.45Å; R179-A232 PolarHBondContact NH2-O 2.77Å; D229-A232 HydrophobicContact CB-CB 4.33Å; D229-A232 WeakPolarHBondContact O-CB 3.41Å; D229-A232 PolarHBondContact O-N 2.9Å; D229-A232 PolarHBondContact OD1-N 2.94Å; D229-A232 VanDerWaalsContact OD1-N 3.08Å; H230-A232 VanDerWaalsContact C-N 3.35Å; H230-A232 PolarHBondContact O-N 3.15Å
233	S	97.3	Very high	97.7	Very high	55 Å²	55	39 Å²	39	39%	0.385	22%	0.223	S	C	.	.			trans	-135.2	154.1	170.8	68.7	0	0	0	0	111.4	S227 D229	S227-S233 WeakPolarHBondContact CB-O 3.23Å; S227-S233 PolarHBondContact OG-O 2.89Å; D229-S233 VanDerWaalsContact CG-N 3.31Å; D229-S233 PolarHBondContact OD1-N 2.77Å; D229-S233 WeakPolarHBondContact OD2-CB 3.48Å; D229-S233 PolarHBondContact OD2-N 3.11Å; D229-S233 PolarHBondContact OD2-OG 2.59Å
234	W	98.1	Very high	97.7	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.027	23%	0.226	C	C	.	.			trans	-132.9	144.2	-178.3	-65.1	82.1	0	0	0	110	V137 I148 L165 L181 I185 L209 V211 L225 L226 G231	V137-W234 HydrophobicContact CG1-CH2 4.32Å; I148-W234 HydrophobicContact CD1-CH2 4.21Å; I148-W234 HydrophobicContact CD1-CZ2 4.3Å; I148-W234 HydrophobicContact CD1-CZ3 4.42Å; L165-W234 HydrophobicContact CD1-CZ2 4.17Å; L181-W234 HydrophobicContact CD1-CG 4.33Å; L181-W234 HydrophobicContact CD2-CG 4.35Å; I185-W234 HydrophobicContact CG2-CB 4.13Å; L209-W234 HydrophobicContact CB-CH2 3.77Å; L209-W234 HydrophobicContact CB-CZ3 4.17Å; L209-W234 HydrophobicContact CD1-CH2 4.07Å; L209-W234 HydrophobicContact CD1-CZ2 4.17Å; V211-W234 HydrophobicContact CG2-CH2 4.21Å; V211-W234 HydrophobicContact CG2-CZ3 4.16Å; L225-W234 HydrophobicContact CB-CE3 3.85Å; L225-W234 HydrophobicContact CB-CZ3 4.4Å; L226-W234 WeakPolarHBondContact O-CA 3.13Å; G231-W234 PolarHBondContact O-NE1 3.43Å
235	H	97.8	Very high	97.5	Very high	76 Å²	76	43.8 Å²	43.8	35%	0.352	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	163.3	174.6	64.5	-81.8	0	0	0	110.9	L225 L226 D228	L225-H235 CarbonylContact C-O 3.51Å; L225-H235 WeakPolarHBondContact CA-O 3.46Å; L226-H235 PolarHBondContact N-O 3.24Å; L226-H235 PolarHBondContact O-N 2.98Å; L226-H235 PolarHBondContact O-ND1 3.03Å; D228-H235 IonicContact OD2-CE1 3.7Å
236	Y	97.8	Very high	97.4	Very high	75 Å²	75	45.7 Å²	45.7	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.2	175	-78.7	-74.7	0	0	0	111.7	I185 F190 F223 C224 L225	I185-Y236 HydrophobicContact CB-CD2 4.21Å; I185-Y236 HydrophobicContact CB-CE2 3.77Å; I185-Y236 HydrophobicContact CD1-CE2 4.3Å; I185-Y236 HydrophobicContact CG1-CE2 4.22Å; I185-Y236 WeakPolarHBondContact O-CE2 3.34Å; F190-Y236 WeakPolarHBondContact CB-OH 3.46Å; F190-Y236 AromaticContact CD2-CE1 3.97Å; F190-Y236 HydrophobicContact CD2-CE1 3.97Å; F190-Y236 HydrophobicContact CE2-CE1 4.36Å; F190-Y236 HydrophobicContact CG-CE1 4.41Å; F223-Y236 HydrophobicContact CB-CD1 4.26Å; F223-Y236 HydrophobicContact CB-CE1 4.18Å; C224-Y236 WeakPolarHBondContact O-CA 3.37Å; L225-Y236 HydrophobicContact CD2-CD1 3.57Å; L225-Y236 HydrophobicContact CD2-CD2 4.28Å; L225-Y236 HydrophobicContact CD2-CE1 3.38Å; L225-Y236 HydrophobicContact CD2-CE2 4.13Å; L225-Y236 HydrophobicContact CD2-CG 4.02Å; L225-Y236 HydrophobicContact CG-CE1 4.42Å
237	G	97.2	Very high	97.3	Very high	9 Å²	9	51.1 Å²	51.1	9%	0.093	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-73.4	168.1	151	0	0	0	0	0	111.1	C224 G239	C224-G237 PolarHBondContact O-N 2.73Å; G237-G239 PolarHBondContact O-N 3.24Å
238	T	95.5	Very high	97.2	Very high	82 Å²	82	55.3 Å²	55.3	50%	0.503	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-74	129.5	173.4	61.1	0	0	0	0	110.3	D294 T295 L296	T238-D294 PolarHBondContact N-O 3.5Å; T238-D294 PolarHBondContact OG1-O 3.46Å; T238-T295 WeakPolarHBondContact OG1-CA 3.27Å; T238-T295 VanDerWaalsContact OG1-CB 3.27Å; T238-T295 WeakPolarHBondContact OG1-CB 3.49Å; T238-T295 WeakPolarHBondContact OG1-CG2 3.1Å; T238-L296 WeakPolarHBondContact O-CB 3.48Å; T238-L296 WeakPolarHBondContact O-CG 3.49Å; T238-L296 PolarHBondContact O-N 3.03Å
239	G	96.6	Very high	97.1	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	31%	0.307	S	S	.	.			trans	-100.9	178	-176.8	0	0	0	0	0	114.4	V222 G237	V222-G239 CarbonylContact O-C 3.59Å; V222-G239 WeakPolarHBondContact O-CA 3.45Å; G237-G239 PolarHBondContact O-N 3.24Å
240	V	97.6	Very high	97	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.9	170.9	170.2	0	0	0	0	108.7	G221 V222 F254 L287 L296 P298 V301	G221-V240 CarbonylContact C-O 3.55Å; G221-V240 WeakPolarHBondContact CA-O 3.13Å; V222-V240 PolarHBondContact N-O 2.66Å; V222-V240 PolarHBondContact O-N 2.74Å; V240-F254 HydrophobicContact CG1-CE1 3.56Å; V240-F254 HydrophobicContact CG1-CZ 3.8Å; V240-L287 HydrophobicContact CB-CD2 3.99Å; V240-L287 HydrophobicContact CG1-CD2 4.47Å; V240-L287 HydrophobicContact CG2-CD2 3.91Å; V240-L296 HydrophobicContact CG2-CB 3.79Å; V240-L296 WeakPolarHBondContact CG2-O 3.05Å; V240-P298 HydrophobicContact CG2-CG 4.4Å; V240-V301 HydrophobicContact CG1-CG2 4.25Å; V240-V301 HydrophobicContact CG2-CG2 4.42Å
241	S	97.5	Very high	96.9	Very high	45 Å²	45	58.9 Å²	58.9	32%	0.315	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.3	177	-58.3	0	0	0	0	112.4
242	G	97.6	Very high	96.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.362	C	S	.	.			trans	-63.5	154.8	165.2	0	0	0	0	0	112.2	D220 P244 F245 F254	D220-G242 PolarHBondContact O-N 2.76Å; G242-P244 CarbonylContact O-C 3.58Å; G242-F245 PolarHBondContact O-N 2.93Å; G242-F254 CarbonylContact C-O 3.49Å; G242-F254 WeakPolarHBondContact CA-O 3.17Å
243	I	97.2	Very high	96.9	Very high	113 Å²	113	63.8 Å²	63.8	58%	0.579	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-123.4	122.1	-177.3	-58.7	169.6	0	0	0	108.1	D253 F254	I243-D253 WeakPolarHBondContact O-CB 3.43Å; I243-F254 HydrophobicContact CB-CB 4.3Å; I243-F254 HydrophobicContact CD1-CD1 4.15Å; I243-F254 HydrophobicContact CG1-CD1 4.14Å; I243-F254 PolarHBondContact N-O 2.98Å; I243-F254 PolarHBondContact O-N 3.41Å
244	P	97.3	Very high	97	Very high	37 Å²	37	62 Å²	62	24%	0.24	33%	0.334	C	S	.	.	S	Bend	cis	-75.7	142.1	1.1	30.6	-36	0	0	0	114	G242 Q247 K249 D253	G242-P244 CarbonylContact O-C 3.58Å; P244-Q247 HydrophobicContact CB-CB 4.31Å; P244-Q247 HydrophobicContact CG-CB 4.11Å; P244-K249 HydrophobicContact CG-CD 4.37Å; P244-K249 WeakPolarHBondContact O-CE 3.43Å; P244-K249 PolarHBondContact O-NZ 2.89Å; P244-D253 WeakPolarHBondContact CD-OD2 3.37Å
245	F	95.7	Very high	97	Very high	107 Å²	107	61.8 Å²	61.8	47%	0.469	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	137.5	177.4	-175.8	-105.1	0	0	0	112.5	R219 G242 Q247	R219-F245 HydrophobicContact CB-CD2 4.4Å; R219-F245 HydrophobicContact CB-CE2 3.65Å; R219-F245 HydrophobicContact CB-CZ 3.93Å; R219-F245 HydrophobicContact CG-CE1 4.47Å; R219-F245 HydrophobicContact CG-CE2 4.07Å; R219-F245 HydrophobicContact CG-CZ 3.95Å; G242-F245 PolarHBondContact O-N 2.93Å; F245-Q247 VanDerWaalsContact C-N 3.31Å; F245-Q247 PolarHBondContact O-N 3.47Å
246	G	95.8	Very high	97	Very high	40 Å²	40	58.2 Å²	58.2	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	18.1	176.8	0	0	0	0	0	114.7	E218	E218-G246 VanDerWaalsContact O-CA 3.31Å; E218-G246 WeakPolarHBondContact O-CA 3.35Å; E218-G246 PolarHBondContact O-N 2.83Å
247	Q	96.6	Very high	97	Very high	114 Å²	114	55 Å²	55	53%	0.533	31%	0.305	S	S	.	.	S	Bend	trans	-133.8	154.6	-178.6	-65.6	176.5	50.4	0	0	109.8	E218 P244 F245 K249	E218-Q247 WeakPolarHBondContact CA-O 3.31Å; E218-Q247 PolarHBondContact O-N 2.74Å; P244-Q247 HydrophobicContact CB-CB 4.31Å; P244-Q247 HydrophobicContact CG-CB 4.11Å; F245-Q247 VanDerWaalsContact C-N 3.31Å; F245-Q247 PolarHBondContact O-N 3.47Å; Q247-K249 PolarHBondContact O-N 3.28Å; Q247-K249 PolarHBondContact O-NZ 2.9Å
248	P	96	Very high	97	Very high	88 Å²	88	55.5 Å²	55.5	57%	0.571	31%	0.305	S	S	*	.			trans	-52.5	134.7	169.8	-25.3	34.8	0	0	0	110.6
249	K	95.9	Very high	97.2	Very high	32 Å²	32	51.7 Å²	51.7	14%	0.139	28%	0.281	C	S	.	.			trans	-93	152.7	177.8	-56.7	-69.8	-168.3	-60.7	0	110.9	L217 E218 P244 Q247 D253 N255 N277	L217-K249 PolarHBondContact O-NZ 3.32Å; E218-K249 PolarHBondContact O-NZ 2.81Å; P244-K249 HydrophobicContact CG-CD 4.37Å; P244-K249 WeakPolarHBondContact O-CE 3.43Å; P244-K249 PolarHBondContact O-NZ 2.89Å; Q247-K249 PolarHBondContact O-N 3.28Å; Q247-K249 PolarHBondContact O-NZ 2.9Å; K249-D253 WeakPolarHBondContact CA-OD2 3.5Å; K249-D253 HydrophobicContact CB-CB 4.33Å; K249-D253 HydrophobicContact CD-CB 4.13Å; K249-N255 VanDerWaalsContact CE-OD1 3.29Å; K249-N255 WeakPolarHBondContact CE-OD1 3.27Å; K249-N277 WeakPolarHBondContact CB-ND2 3.39Å
250	H	97	Very high	97.2	Very high	134 Å²	134	50.6 Å²	50.6	62%	0.62	27%	0.269	S	S	*	.			trans	-117.1	169	174.2	-62.2	-62.7	0	0	0	111.9	H252 D253 N277	H250-H252 PolarHBondContact O-N 2.06Å; H250-D253 PolarHBondContact N-OD2 2.82Å; H250-D253 WeakPolarHBondContact O-CB 3.29Å; H250-D253 PolarHBondContact O-N 3.47Å; H250-N277 WeakPolarHBondContact O-CB 3.15Å; H250-N277 PolarHBondContact O-ND2 2.92Å
251	D	96.5	Very high	97.2	Very high	129 Å²	129	50.6 Å²	50.6	69%	0.69	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	134.4	170.1	-70.4	-12.7	0	0	0	109.8	D253	D251-D253 VanDerWaalsContact C-N 3.29Å; D251-D253 PolarHBondContact O-N 3.42Å
252	H	97.1	Very high	97.3	Very high	128 Å²	128	49 Å²	49	59%	0.593	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	18.6	-176	-45.4	-63.3	0	0	0	116	H250 N277 N278 Y279	H250-H252 PolarHBondContact O-N 2.06Å; H252-N277 WeakPolarHBondContact CA-O 3.17Å; H252-N277 PolarHBondContact N-O 3.02Å; H252-N278 PolarHBondContact ND1-O 3.04Å; H252-N278 VanDerWaalsContact ND1-O 3.08Å; H252-Y279 VanDerWaalsContact O-CD2 3.24Å; H252-Y279 WeakPolarHBondContact O-CD2 3.3Å
253	D	97.8	Very high	97.3	Very high	38 Å²	38	50.3 Å²	50.3	20%	0.203	26%	0.262	C	S	.	.	S	Bend	trans	-78.7	149.7	159.7	-79.6	-22.4	0	0	0	111	I243 P244 K249 H250 D251 N255	I243-D253 WeakPolarHBondContact O-CB 3.43Å; P244-D253 WeakPolarHBondContact CD-OD2 3.37Å; K249-D253 WeakPolarHBondContact CA-OD2 3.5Å; K249-D253 HydrophobicContact CB-CB 4.33Å; K249-D253 HydrophobicContact CD-CB 4.13Å; H250-D253 PolarHBondContact N-OD2 2.82Å; H250-D253 WeakPolarHBondContact O-CB 3.29Å; H250-D253 PolarHBondContact O-N 3.47Å; D251-D253 VanDerWaalsContact C-N 3.29Å; D251-D253 PolarHBondContact O-N 3.42Å; D253-N255 PolarHBondContact O-N 2.7Å; D253-N255 VanDerWaalsContact O-N 3.09Å
254	F	97.9	Very high	97.3	Very high	18 Å²	18	45 Å²	45	8%	0.079	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-72.8	106.3	174.8	176.5	-113.8	0	0	0	109.2	V240 G242 I243 P256 Y279 I285 V301 F303	V240-F254 HydrophobicContact CG1-CE1 3.56Å; V240-F254 HydrophobicContact CG1-CZ 3.8Å; G242-F254 CarbonylContact C-O 3.49Å; G242-F254 WeakPolarHBondContact CA-O 3.17Å; I243-F254 HydrophobicContact CB-CB 4.3Å; I243-F254 HydrophobicContact CD1-CD1 4.15Å; I243-F254 HydrophobicContact CG1-CD1 4.14Å; I243-F254 PolarHBondContact N-O 2.98Å; I243-F254 PolarHBondContact O-N 3.41Å; F254-P256 HydrophobicContact CE1-CG 3.87Å; F254-P256 HydrophobicContact CE2-CG 4.19Å; F254-P256 HydrophobicContact CZ-CB 4.34Å; F254-P256 HydrophobicContact CZ-CG 3.65Å; F254-Y279 HydrophobicContact CB-CD1 4.04Å; F254-Y279 HydrophobicContact CB-CD2 3.92Å; F254-Y279 HydrophobicContact CB-CE1 4.15Å; F254-Y279 HydrophobicContact CB-CE2 4.09Å; F254-Y279 HydrophobicContact CB-CG 3.94Å; F254-Y279 AromaticContact CD2-CD1 3.64Å; F254-Y279 HydrophobicContact CD2-CD1 3.64Å; F254-Y279 HydrophobicContact CD2-CE1 4.01Å; F254-Y279 HydrophobicContact CD2-CG 4.15Å; F254-Y279 HydrophobicContact CG-CD1 4.28Å; F254-Y279 HydrophobicContact CG-CE1 4.41Å; F254-I285 HydrophobicContact CD2-CD1 4.4Å; F254-I285 HydrophobicContact CE2-CD1 3.95Å; F254-V301 HydrophobicContact CE2-CG1 3.87Å; F254-V301 HydrophobicContact CZ-CG1 3.96Å; F254-V301 HydrophobicContact CZ-CG2 4.37Å; F254-F303 HydrophobicContact CD2-CZ 4.3Å; F254-F303 HydrophobicContact CE2-CZ 4.22Å
255	N	97.9	Very high	97.1	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.011	24%	0.238	C	C	.	.			trans	-138	80.1	-176.3	-156.2	57.9	0	0	0	110.4	D220 K249 D253 Q276 N277	D220-N255 VanDerWaalsContact CB-OD1 3.24Å; D220-N255 WeakPolarHBondContact CB-OD1 3.39Å; D220-N255 PolarHBondContact OD2-ND2 2.78Å; K249-N255 VanDerWaalsContact CE-OD1 3.29Å; K249-N255 WeakPolarHBondContact CE-OD1 3.27Å; D253-N255 PolarHBondContact O-N 2.7Å; D253-N255 VanDerWaalsContact O-N 3.09Å; N255-Q276 HydrophobicContact CB-CB 4.09Å; N255-Q276 WeakPolarHBondContact ND2-CB 3.5Å; N255-Q276 WeakPolarHBondContact ND2-CG 3.06Å; N255-Q276 WeakPolarHBondContact O-CB 3.46Å; N255-Q276 PolarHBondContact O-N 3.49Å; N255-N277 HydrophobicContact CB-CB 4.32Å
256	P	97.9	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.3	171.8	33.3	-33	0	0	0	109.4	G221 V222 F254 A273 R274 I285	G221-P256 CarbonylContact C-O 3.17Å; G221-P256 VanDerWaalsContact CA-O 3.32Å; G221-P256 WeakPolarHBondContact CA-O 3.27Å; G221-P256 PolarHBondContact N-O 2.77Å; V222-P256 HydrophobicContact CG2-CB 3.88Å; V222-P256 HydrophobicContact CG2-CG 4.41Å; F254-P256 HydrophobicContact CE1-CG 3.87Å; F254-P256 HydrophobicContact CE2-CG 4.19Å; F254-P256 HydrophobicContact CZ-CB 4.34Å; F254-P256 HydrophobicContact CZ-CG 3.65Å; P256-A273 HydrophobicContact CB-CB 4.43Å; P256-R274 WeakPolarHBondContact CA-O 3.47Å; P256-I285 HydrophobicContact CB-CD1 3.72Å
257	D	97.9	Very high	97.1	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-144.7	-169.2	-171.5	0	0	0	0	108.5	H214 C259 R274 Q276	H214-D257 IonicContact CD2-OD1 2.81Å; H214-D257 PolarHBondContact CD2-OD1 3.4Å; H214-D257 IonicContact CE1-OD1 2.77Å; H214-D257 PolarHBondContact CE1-OD1 3.45Å; H214-D257 IonicContact CG-OD1 3.57Å; H214-D257 IonicContact ND1-OD1 3.85Å; H214-D257 PolarHBondContact ND1-OD1 2.82Å; H214-D257 IonicContact NE2-OD1 3.78Å; H214-D257 PolarHBondContact NE2-OD1 3.21Å; D257-C259 PolarHBondContact O-N 3.48Å; D257-R274 HydrophobicContact CB-CB 4.26Å; D257-R274 HydrophobicContact CB-CG 4.41Å; D257-R274 PolarHBondContact N-O 2.59Å; D257-R274 VanDerWaalsContact N-O 3.11Å; D257-R274 IonicContact OD2-NE 3.44Å; D257-Q276 HydrophobicContact CB-CB 3.85Å; D257-Q276 PolarHBondContact OD2-OE1 3.08Å
258	E	98.4	Very high	97.2	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.093	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-28.6	117.6	175.6	-64.5	174.9	154.6	0	0	115.1	G193 R274 A313 Y364	G193-E258 VanDerWaalsContact O-CA 3.27Å; G193-E258 WeakPolarHBondContact O-CA 3.09Å; E258-R274 HydrophobicContact CB-CB 4.09Å; E258-R274 VanDerWaalsContact CD-NH1 3.33Å; E258-R274 WeakPolarHBondContact O-CB 3.36Å; E258-R274 PolarHBondContact O-N 2.79Å; E258-R274 IonicContact OE1-NH1 3.05Å; E258-R274 VanDerWaalsContact OE2-CD 3.25Å; E258-R274 WeakPolarHBondContact OE2-CD 3.45Å; E258-R274 IonicContact OE2-CZ 3.93Å; E258-R274 IonicContact OE2-NE 2.6Å; E258-R274 IonicContact OE2-NH1 3.39Å; E258-R274 PolarHBondContact OE2-NH1 2.84Å; E258-A313 HydrophobicContact CB-CB 4.19Å; E258-A313 WeakPolarHBondContact OE2-CA 3.31Å; E258-A313 WeakPolarHBondContact OE2-CB 3.36Å; E258-A313 PolarHBondContact OE2-N 2.84Å; E258-Y364 VanDerWaalsContact CD-OH 3.25Å; E258-Y364 VanDerWaalsContact OE1-CE2 3.3Å; E258-Y364 WeakPolarHBondContact OE1-CE2 3.26Å; E258-Y364 PolarHBondContact OE1-OH 3.49Å; E258-Y364 PolarHBondContact OE2-OH 3.37Å
259	C	98.2	Very high	97.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.2	-166.4	69.6	0	0	0	0	114.9	G193 V222 D257 I271 N272 A273	G193-C259 WeakPolarHBondContact CA-O 3.5Å; G193-C259 PolarHBondContact O-N 2.99Å; V222-C259 HydrophobicContact CG2-CB 4.26Å; D257-C259 PolarHBondContact O-N 3.48Å; C259-I271 HydrophobicContact CB-CG2 3.56Å; C259-N272 CarbonylContact C-O 3.41Å; C259-N272 VanDerWaalsContact CA-O 3.24Å; C259-N272 WeakPolarHBondContact CA-O 3.39Å; C259-A273 HydrophobicContact CB-CB 3.72Å
260	Q	97.8	Very high	97.4	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.4	176.6	-66.8	-60.7	-82.7	0	0	111.7	P194 I271 N272 A314 A316	P194-Q260 VanDerWaalsContact C-NE2 3.31Å; P194-Q260 PolarHBondContact O-NE2 3.08Å; Q260-I271 WeakPolarHBondContact O-CA 3.15Å; Q260-N272 PolarHBondContact N-O 3.44Å; Q260-N272 PolarHBondContact O-N 2.84Å; Q260-A314 WeakPolarHBondContact CG-O 3.46Å; Q260-A316 HydrophobicContact CB-CB 4.05Å
261	P	98.3	Very high	97.5	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.5	171	32	-34.1	0	0	0	112.7	S196 I198 C212 V269 I270 I271	S196-P261 VanDerWaalsContact O-CD 3.29Å; S196-P261 WeakPolarHBondContact O-CD 3.43Å; I198-P261 HydrophobicContact CD1-CB 4.34Å; I198-P261 HydrophobicContact CG1-CB 4.39Å; I198-P261 WeakPolarHBondContact CG2-O 3.47Å; C212-P261 HydrophobicContact CB-CG 4.42Å; P261-V269 HydrophobicContact CB-CG1 4.13Å; P261-I270 CarbonylContact C-O 3.47Å; P261-I270 VanDerWaalsContact CA-O 3.23Å; P261-I270 WeakPolarHBondContact CA-O 3.09Å; P261-I271 HydrophobicContact CB-CG1 4.35Å
262	Y	98	Very high	97.6	Very high	11 Å²	11	19.9 Å²	19.9	4%	0.043	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.8	165.3	59	-92.8	0	0	0	111.4	L264 V269 I270 N272 A316 A318 V324	Y262-L264 HydrophobicContact CD2-CD2 4.29Å; Y262-L264 HydrophobicContact CE2-CD2 3.93Å; Y262-L264 HydrophobicContact CE2-CG 4.42Å; Y262-V269 WeakPolarHBondContact O-CA 3.42Å; Y262-I270 HydrophobicContact CD1-CB 4.41Å; Y262-I270 HydrophobicContact CD2-CB 4.04Å; Y262-I270 HydrophobicContact CD2-CG1 4.4Å; Y262-I270 HydrophobicContact CE1-CB 3.94Å; Y262-I270 HydrophobicContact CE1-CG2 3.79Å; Y262-I270 HydrophobicContact CE2-CB 3.53Å; Y262-I270 HydrophobicContact CE2-CG1 3.73Å; Y262-I270 HydrophobicContact CE2-CG2 4.03Å; Y262-I270 HydrophobicContact CG-CB 4.46Å; Y262-I270 VanDerWaalsContact CZ-CB 3.47Å; Y262-I270 VanDerWaalsContact CZ-CG2 3.43Å; Y262-I270 PolarHBondContact N-O 3.5Å; Y262-I270 PolarHBondContact O-N 2.99Å; Y262-I270 VanDerWaalsContact OH-CG2 3.26Å; Y262-I270 WeakPolarHBondContact OH-CG2 3.12Å; Y262-N272 HydrophobicContact CE1-CB 4.37Å; Y262-A316 HydrophobicContact CD1-CB 3.81Å; Y262-A316 HydrophobicContact CE1-CB 3.83Å; Y262-A318 HydrophobicContact CD2-CB 3.78Å; Y262-A318 HydrophobicContact CG-CB 4.4Å; Y262-V324 HydrophobicContact CE1-CG1 4.46Å; Y262-V324 HydrophobicContact CE2-CG1 3.92Å; Y262-V324 HydrophobicContact CE2-CG2 4.02Å
263	E	97.9	Very high	97.7	Very high	27 Å²	27	13.8 Å²	13.8	13%	0.126	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.2	179.8	-174.8	-178.5	-161.5	0	0	111.1	I198 K200 Q201 R202 A318	I198-E263 HydrophobicContact CD1-CB 4.18Å; K200-E263 HydrophobicContact CD-CG 4.49Å; K200-E263 IonicContact NZ-OE1 3.59Å; K200-E263 PolarHBondContact NZ-OE1 3.27Å; Q201-E263 WeakPolarHBondContact CB-OE2 3.29Å; Q201-E263 PolarHBondContact N-OE1 2.9Å; Q201-E263 PolarHBondContact N-OE2 3.48Å; R202-E263 VanDerWaalsContact CB-OE1 3.23Å; R202-E263 WeakPolarHBondContact CB-OE1 3.3Å; R202-E263 PolarHBondContact N-OE1 2.85Å; E263-A318 WeakPolarHBondContact O-CB 3.46Å
264	L	96.9	Very high	97.7	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.069	C	C	.	.			trans	-88.8	163	174	-70.5	177.5	0	0	0	112.1	Y262 D266 G267 S268 I270 V324 N346	Y262-L264 HydrophobicContact CD2-CD2 4.29Å; Y262-L264 HydrophobicContact CE2-CD2 3.93Å; Y262-L264 HydrophobicContact CE2-CG 4.42Å; L264-D266 PolarHBondContact O-N 2.94Å; L264-G267 PolarHBondContact O-N 3.23Å; L264-S268 PolarHBondContact N-O 2.9Å; L264-I270 HydrophobicContact CD1-CD1 3.79Å; L264-I270 HydrophobicContact CD1-CG1 3.5Å; L264-I270 VanDerWaalsContact CD1-CG1 3.5Å; L264-I270 HydrophobicContact CD2-CG1 4.45Å; L264-I270 HydrophobicContact CG-CG1 3.79Å; L264-V324 HydrophobicContact CD2-CG2 3.99Å; L264-N346 HydrophobicContact CD1-CB 3.82Å; L264-N346 HydrophobicContact CD2-CB 3.78Å; L264-N346 HydrophobicContact CG-CB 4.42Å
265	P	94.1	Very high	97.7	Very high	45 Å²	45	12.4 Å²	12.4	29%	0.292	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.5	178.6	-28.5	36.4	0	0	0	115.6	R202 G267	R202-P265 WeakPolarHBondContact CD-O 3.39Å; R202-P265 PolarHBondContact NE-O 3.34Å; R202-P265 PolarHBondContact NH1-O 2.71Å; P265-G267 VanDerWaalsContact C-N 3.28Å
266	D	95.1	Very high	97.7	Very high	90 Å²	90	14.1 Å²	14.1	48%	0.481	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.5	175.7	67.6	9.3	0	0	0	114.1	L264 S268 R288	L264-D266 PolarHBondContact O-N 2.94Å; D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.36Å; D266-S268 PolarHBondContact OD1-N 2.98Å; D266-S268 PolarHBondContact OD1-OG 2.82Å; D266-R288 IonicContact OD1-NH2 3.83Å; D266-R288 IonicContact OD2-CZ 3.53Å; D266-R288 IonicContact OD2-NH2 3.56Å; D266-R288 PolarHBondContact OD2-NH2 3.14Å
267	G	96.9	Very high	97.7	Very high	1 Å²	1	15 Å²	15	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	84.7	-4.4	178.9	0	0	0	0	0	114.7	K200 L264 P265	K200-G267 PolarHBondContact NZ-O 3.05Å; L264-G267 PolarHBondContact O-N 3.23Å; P265-G267 VanDerWaalsContact C-N 3.28Å
268	S	97.7	Very high	97.7	Very high	5 Å²	5	15.6 Å²	15.6	4%	0.035	8%	0.081	C	C	.	.			trans	-71.4	150.5	171.6	64.7	0	0	0	0	111.6	L264 D266 R288 S289	L264-S268 PolarHBondContact N-O 2.9Å; D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.36Å; D266-S268 PolarHBondContact OD1-N 2.98Å; D266-S268 PolarHBondContact OD1-OG 2.82Å; S268-R288 PolarHBondContact OG-NE 3.28Å; S268-R288 PolarHBondContact OG-NH2 3.27Å; S268-S289 WeakPolarHBondContact CA-O 3.49Å; S268-S289 VanDerWaalsContact CB-O 3.29Å; S268-S289 WeakPolarHBondContact CB-O 3.46Å
269	V	98.5	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.9	176.9	-179.7	0	0	0	0	108.5	I198 K200 I210 P261 Y262 I271 R288 S289	I198-V269 HydrophobicContact CD1-CG1 3.8Å; I198-V269 HydrophobicContact CD1-CG2 3.98Å; K200-V269 HydrophobicContact CD-CG2 3.85Å; I210-V269 HydrophobicContact CD1-CG2 4.05Å; P261-V269 HydrophobicContact CB-CG1 4.13Å; Y262-V269 WeakPolarHBondContact O-CA 3.42Å; V269-I271 HydrophobicContact CG1-CG1 4.43Å; V269-R288 CarbonylContact O-C 3.58Å; V269-R288 WeakPolarHBondContact O-CA 3.24Å; V269-S289 PolarHBondContact N-O 3.34Å; V269-S289 PolarHBondContact O-N 3.16Å
270	I	98.4	Very high	97.5	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.046	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.8	169.7	-56.5	-64.6	0	0	0	108.5	P261 Y262 L264 V286 L287 R288	P261-I270 CarbonylContact C-O 3.47Å; P261-I270 VanDerWaalsContact CA-O 3.23Å; P261-I270 WeakPolarHBondContact CA-O 3.09Å; Y262-I270 HydrophobicContact CD1-CB 4.41Å; Y262-I270 HydrophobicContact CD2-CB 4.04Å; Y262-I270 HydrophobicContact CD2-CG1 4.4Å; Y262-I270 HydrophobicContact CE1-CB 3.94Å; Y262-I270 HydrophobicContact CE1-CG2 3.79Å; Y262-I270 HydrophobicContact CE2-CB 3.53Å; Y262-I270 HydrophobicContact CE2-CG1 3.73Å; Y262-I270 HydrophobicContact CE2-CG2 4.03Å; Y262-I270 HydrophobicContact CG-CB 4.46Å; Y262-I270 VanDerWaalsContact CZ-CB 3.47Å; Y262-I270 VanDerWaalsContact CZ-CG2 3.43Å; Y262-I270 PolarHBondContact N-O 3.5Å; Y262-I270 PolarHBondContact O-N 2.99Å; Y262-I270 VanDerWaalsContact OH-CG2 3.26Å; Y262-I270 WeakPolarHBondContact OH-CG2 3.12Å; L264-I270 HydrophobicContact CD1-CD1 3.79Å; L264-I270 HydrophobicContact CD1-CG1 3.5Å; L264-I270 VanDerWaalsContact CD1-CG1 3.5Å; L264-I270 HydrophobicContact CD2-CG1 4.45Å; L264-I270 HydrophobicContact CG-CG1 3.79Å; I270-V286 HydrophobicContact CG2-CG1 3.57Å; I270-L287 CarbonylContact C-O 3.26Å; I270-L287 WeakPolarHBondContact CA-O 3.28Å; I270-R288 HydrophobicContact CD1-CB 3.79Å; I270-R288 HydrophobicContact CD1-CG 3.62Å
271	I	98.5	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.7	171	-54.6	164.7	0	0	0	107.7	V222 C259 Q260 P261 V269 L287 L296	V222-I271 HydrophobicContact CG1-CD1 4.01Å; V222-I271 HydrophobicContact CG1-CG2 3.86Å; C259-I271 HydrophobicContact CB-CG2 3.56Å; Q260-I271 WeakPolarHBondContact O-CA 3.15Å; P261-I271 HydrophobicContact CB-CG1 4.35Å; V269-I271 HydrophobicContact CG1-CG1 4.43Å; I271-L287 HydrophobicContact CB-CB 4.26Å; I271-L287 HydrophobicContact CB-CD1 4.31Å; I271-L287 HydrophobicContact CG2-CD1 4.39Å; I271-L287 PolarHBondContact N-O 3.4Å; I271-L287 PolarHBondContact O-N 2.67Å; I271-L296 HydrophobicContact CD1-CD1 3.65Å; I271-L296 HydrophobicContact CD1-CD2 3.61Å; I271-L296 HydrophobicContact CD1-CG 4.3Å
272	N	98.4	Very high	97.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.8	175.6	-174.4	-62.2	0	0	0	109.2	C259 Q260 Y262 R284 L307 A316 F326	C259-N272 CarbonylContact C-O 3.41Å; C259-N272 VanDerWaalsContact CA-O 3.24Å; C259-N272 WeakPolarHBondContact CA-O 3.39Å; Q260-N272 PolarHBondContact N-O 3.44Å; Q260-N272 PolarHBondContact O-N 2.84Å; Y262-N272 HydrophobicContact CE1-CB 4.37Å; N272-R284 PolarHBondContact OD1-NE 2.71Å; N272-R284 PolarHBondContact OD1-NH2 2.78Å; N272-L307 WeakPolarHBondContact ND2-CD1 3.23Å; N272-A316 HydrophobicContact CB-CB 4.36Å; N272-F326 WeakPolarHBondContact OD1-CE2 3.47Å
273	A	98.4	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.1	-170.6	0	0	0	0	0	112.6	V222 P256 C259 R284 I285 L287	V222-A273 HydrophobicContact CG2-CB 3.89Å; P256-A273 HydrophobicContact CB-CB 4.43Å; C259-A273 HydrophobicContact CB-CB 3.72Å; A273-R284 PolarHBondContact O-NE 2.74Å; A273-I285 HydrophobicContact CB-CB 4.21Å; A273-I285 HydrophobicContact CB-CG2 4.46Å; A273-I285 PolarHBondContact N-O 3.11Å; A273-I285 PolarHBondContact O-N 3.42Å; A273-L287 HydrophobicContact CB-CD1 4.09Å
274	R	98.6	Very high	97.5	Very high	25 Å²	25	29.3 Å²	29.3	9%	0.094	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132.3	172.5	174	177.3	170.9	175.3	-12.7	108.9	P256 D257 E258 Q276 V311 Y364	P256-R274 WeakPolarHBondContact CA-O 3.47Å; D257-R274 HydrophobicContact CB-CB 4.26Å; D257-R274 HydrophobicContact CB-CG 4.41Å; D257-R274 PolarHBondContact N-O 2.59Å; D257-R274 VanDerWaalsContact N-O 3.11Å; D257-R274 IonicContact OD2-NE 3.44Å; E258-R274 HydrophobicContact CB-CB 4.09Å; E258-R274 VanDerWaalsContact CD-NH1 3.33Å; E258-R274 WeakPolarHBondContact O-CB 3.36Å; E258-R274 PolarHBondContact O-N 2.79Å; E258-R274 IonicContact OE1-NH1 3.05Å; E258-R274 VanDerWaalsContact OE2-CD 3.25Å; E258-R274 WeakPolarHBondContact OE2-CD 3.45Å; E258-R274 IonicContact OE2-CZ 3.93Å; E258-R274 IonicContact OE2-NE 2.6Å; E258-R274 IonicContact OE2-NH1 3.39Å; E258-R274 PolarHBondContact OE2-NH1 2.84Å; R274-Q276 PolarHBondContact O-N 2.9Å; R274-V311 HydrophobicContact CG-CG1 4.24Å; R274-V311 PolarHBondContact NE-O 2.9Å; R274-Y364 PolarHBondContact NH1-OH 3.07Å
275	N	98.2	Very high	97.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	82.2	174.2	-170.8	-5.1	0	0	0	109	N277 N278 Y279 C281 C283 I285	N275-N277 PolarHBondContact O-N 3.3Å; N275-N277 VanDerWaalsContact O-N 3.12Å; N275-N278 PolarHBondContact O-N 2.68Å; N275-N278 VanDerWaalsContact O-N 3.14Å; N275-N278 PolarHBondContact OD1-N 2.8Å; N275-Y279 PolarHBondContact ND2-N 2.95Å; N275-Y279 PolarHBondContact ND2-O 3.48Å; N275-Y279 PolarHBondContact OD1-N 3.1Å; N275-C281 PolarHBondContact ND2-O 2.86Å; N275-C283 WeakPolarHBondContact CB-O 3.4Å; N275-C283 PolarHBondContact ND2-O 3.16Å; N275-I285 HydrophobicContact CB-CD1 3.93Å; N275-I285 HydrophobicContact CB-CG1 3.92Å
276	Q	97.7	Very high	97.7	Very high	39 Å²	39	28 Å²	28	18%	0.182	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.5	-163.5	175.6	52.4	15.7	0	0	113.4	N255 D257 R274 V311	N255-Q276 HydrophobicContact CB-CB 4.09Å; N255-Q276 WeakPolarHBondContact ND2-CB 3.5Å; N255-Q276 WeakPolarHBondContact ND2-CG 3.06Å; N255-Q276 WeakPolarHBondContact O-CB 3.46Å; N255-Q276 PolarHBondContact O-N 3.49Å; D257-Q276 HydrophobicContact CB-CB 3.85Å; D257-Q276 PolarHBondContact OD2-OE1 3.08Å; R274-Q276 PolarHBondContact O-N 2.9Å; Q276-V311 WeakPolarHBondContact O-CG1 3.37Å
277	N	97.7	Very high	97.9	Very high	18 Å²	18	23.8 Å²	23.8	10%	0.096	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	21.1	-177.7	-68.5	-1.4	0	0	0	113.3	K249 H250 H252 N255 N275 Y279	K249-N277 WeakPolarHBondContact CB-ND2 3.39Å; H250-N277 WeakPolarHBondContact O-CB 3.15Å; H250-N277 PolarHBondContact O-ND2 2.92Å; H252-N277 WeakPolarHBondContact CA-O 3.17Å; H252-N277 PolarHBondContact N-O 3.02Å; N255-N277 HydrophobicContact CB-CB 4.32Å; N275-N277 PolarHBondContact O-N 3.3Å; N275-N277 VanDerWaalsContact O-N 3.12Å; N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 PolarHBondContact O-N 2.82Å
278	N	97.5	Very high	97.9	Very high	20 Å²	20	27 Å²	27	11%	0.107	12%	0.121	C	C	.	.			trans	54	44.9	176.4	-52.2	-70.7	0	0	0	113.2	H252 N275 H280 C281 R282 V311	H252-N278 PolarHBondContact ND1-O 3.04Å; H252-N278 VanDerWaalsContact ND1-O 3.08Å; N275-N278 PolarHBondContact O-N 2.68Å; N275-N278 VanDerWaalsContact O-N 3.14Å; N275-N278 PolarHBondContact OD1-N 2.8Å; N278-H280 PolarHBondContact O-N 3.06Å; N278-C281 CarbonylContact C-O 3.51Å; N278-C281 VanDerWaalsContact CA-O 3.24Å; N278-C281 WeakPolarHBondContact CA-O 3.24Å; N278-R282 HydrophobicContact CB-CG 4.22Å; N278-V311 WeakPolarHBondContact OD1-CG2 3.31Å
279	Y	97.4	Very high	98	Very high	76 Å²	76	26.8 Å²	26.8	30%	0.298	12%	0.12	S	C	.	.	S	Bend	trans	-60.8	122.6	174.1	-173.4	-110.2	0	0	0	109.4	H252 F254 N275 N277 C281 F303	H252-Y279 VanDerWaalsContact O-CD2 3.24Å; H252-Y279 WeakPolarHBondContact O-CD2 3.3Å; F254-Y279 HydrophobicContact CB-CD1 4.04Å; F254-Y279 HydrophobicContact CB-CD2 3.92Å; F254-Y279 HydrophobicContact CB-CE1 4.15Å; F254-Y279 HydrophobicContact CB-CE2 4.09Å; F254-Y279 HydrophobicContact CB-CG 3.94Å; F254-Y279 AromaticContact CD2-CD1 3.64Å; F254-Y279 HydrophobicContact CD2-CD1 3.64Å; F254-Y279 HydrophobicContact CD2-CE1 4.01Å; F254-Y279 HydrophobicContact CD2-CG 4.15Å; F254-Y279 HydrophobicContact CG-CD1 4.28Å; F254-Y279 HydrophobicContact CG-CE1 4.41Å; N275-Y279 PolarHBondContact ND2-N 2.95Å; N275-Y279 PolarHBondContact ND2-O 3.48Å; N275-Y279 PolarHBondContact OD1-N 3.1Å; N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 PolarHBondContact O-N 2.82Å; Y279-C281 PolarHBondContact O-N 2.94Å; Y279-F303 AromaticContact CD1-CE1 3.74Å; Y279-F303 HydrophobicContact CD1-CE1 3.74Å; Y279-F303 HydrophobicContact CD1-CE2 4.2Å; Y279-F303 AromaticContact CD1-CZ 3.35Å; Y279-F303 HydrophobicContact CD1-CZ 3.35Å; Y279-F303 HydrophobicContact CE1-CE2 4.31Å; Y279-F303 AromaticContact CE1-CZ 3.83Å; Y279-F303 HydrophobicContact CE1-CZ 3.83Å
280	H	94.8	Very high	97.9	Very high	141 Å²	141	31.9 Å²	31.9	65%	0.653	14%	0.14	S	C	*	.	S	Bend	trans	60.1	-36.5	-171.3	-67.6	-67.6	0	0	0	117.6	N278	N278-H280 PolarHBondContact O-N 3.06Å
281	C	97.2	Very high	97.9	Very high	30 Å²	30	33.2 Å²	33.2	20%	0.203	15%	0.147	C	C	.	.	S	Bend	trans	-151.6	165	-172.1	67.3	0	0	0	0	112	N275 N278 Y279 C283	N275-C281 PolarHBondContact ND2-O 2.86Å; N278-C281 CarbonylContact C-O 3.51Å; N278-C281 VanDerWaalsContact CA-O 3.24Å; N278-C281 WeakPolarHBondContact CA-O 3.24Å; Y279-C281 PolarHBondContact O-N 2.94Å; C281-C283 VanDerWaalsContact C-N 3.28Å; C281-C283 HydrophobicContact CB-CB 3.91Å; C281-C283 WeakPolarHBondContact CB-SG 3.43Å; C281-C283 PolarHBondContact O-N 3.14Å; C281-C283 WeakPolarHBondContact SG-CB 3.48Å; C281-C283 PolarHBondContact SG-N 2.73Å; C281-C283 VanDerWaalsContact SG-N 3.43Å; C281-C283 CovalentContact SG-SG 2.04Å; C281-C283 PolarHBondContact SG-SG 3.44Å
282	R	98	Very high	97.8	Very high	105 Å²	105	33.2 Å²	33.2	40%	0.396	15%	0.147	S	C	.	.	S	Bend	trans	-91	63.2	163.5	-69.8	175.4	163.9	-71.7	-3.1	109.9	N278 V308 D309 P332	N278-R282 HydrophobicContact CB-CG 4.22Å; R282-V308 WeakPolarHBondContact O-CA 3.32Å; R282-D309 PolarHBondContact O-N 3.24Å; R282-D309 VanDerWaalsContact O-N 3.11Å; R282-P332 HydrophobicContact CB-CB 4.16Å; R282-P332 VanDerWaalsContact CD-O 3.23Å; R282-P332 WeakPolarHBondContact CD-O 3.34Å; R282-P332 PolarHBondContact NH1-O 3.1Å
283	C	98.3	Very high	97.8	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168.8	-170.4	81.3	0	0	0	0	111.9	N275 C281 D304 L307	N275-C283 WeakPolarHBondContact CB-O 3.4Å; N275-C283 PolarHBondContact ND2-O 3.16Å; C281-C283 VanDerWaalsContact C-N 3.28Å; C281-C283 HydrophobicContact CB-CB 3.91Å; C281-C283 WeakPolarHBondContact CB-SG 3.43Å; C281-C283 PolarHBondContact O-N 3.14Å; C281-C283 WeakPolarHBondContact SG-CB 3.48Å; C281-C283 PolarHBondContact SG-N 2.73Å; C281-C283 VanDerWaalsContact SG-N 3.43Å; C281-C283 CovalentContact SG-SG 2.04Å; C281-C283 PolarHBondContact SG-SG 3.44Å; C283-D304 WeakPolarHBondContact CB-O 3.46Å; C283-D304 VanDerWaalsContact SG-C 3.56Å; C283-D304 PolarHBondContact SG-O 2.85Å; C283-D304 VanDerWaalsContact SG-O 3.38Å; C283-L307 VanDerWaalsContact CA-O 3.28Å; C283-L307 WeakPolarHBondContact CA-O 3.19Å
284	R	98.5	Very high	97.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	144.7	-176.5	-56.9	-58.8	-67.1	-179.2	0.5	112.4	N272 A273 F303 D304 L307 D309 V312 F326	N272-R284 PolarHBondContact OD1-NE 2.71Å; N272-R284 PolarHBondContact OD1-NH2 2.78Å; A273-R284 PolarHBondContact O-NE 2.74Å; R284-F303 WeakPolarHBondContact O-CA 3.28Å; R284-D304 PolarHBondContact O-N 3.4Å; R284-L307 HydrophobicContact CB-CB 4.06Å; R284-L307 HydrophobicContact CB-CD1 4.28Å; R284-L307 HydrophobicContact CG-CB 3.61Å; R284-L307 HydrophobicContact CG-CD1 4.03Å; R284-L307 PolarHBondContact N-O 2.7Å; R284-L307 VanDerWaalsContact N-O 3.12Å; R284-D309 WeakPolarHBondContact CD-OD2 3.45Å; R284-D309 HydrophobicContact CG-CB 4.41Å; R284-D309 IonicContact CZ-OD2 3.18Å; R284-D309 IonicContact NH1-OD1 3.65Å; R284-D309 PolarHBondContact NH1-OD1 2.81Å; R284-D309 IonicContact NH1-OD2 2.78Å; R284-D309 PolarHBondContact NH1-OD2 3.41Å; R284-V312 PolarHBondContact NH1-O 2.82Å; R284-F326 HydrophobicContact CG-CE1 4.49Å; R284-F326 HydrophobicContact CG-CE2 4.09Å; R284-F326 HydrophobicContact CG-CZ 3.64Å
285	I	98.5	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.3	164.5	-67.8	167.6	0	0	0	107.9	F254 P256 A273 N275 L287 V301 F303	F254-I285 HydrophobicContact CD2-CD1 4.4Å; F254-I285 HydrophobicContact CE2-CD1 3.95Å; P256-I285 HydrophobicContact CB-CD1 3.72Å; A273-I285 HydrophobicContact CB-CB 4.21Å; A273-I285 HydrophobicContact CB-CG2 4.46Å; A273-I285 PolarHBondContact N-O 3.11Å; A273-I285 PolarHBondContact O-N 3.42Å; N275-I285 HydrophobicContact CB-CD1 3.93Å; N275-I285 HydrophobicContact CB-CG1 3.92Å; I285-L287 HydrophobicContact CG2-CD1 3.79Å; I285-L287 HydrophobicContact CG2-CG 4.33Å; I285-V301 HydrophobicContact CG2-CG1 3.78Å; I285-F303 HydrophobicContact CD1-CE1 4.09Å; I285-F303 HydrophobicContact CG1-CD1 3.85Å; I285-F303 HydrophobicContact CG1-CE1 3.48Å; I285-F303 VanDerWaalsContact CG1-CE1 3.48Å; I285-F303 HydrophobicContact CG1-CZ 4.32Å
286	V	98.3	Very high	97.7	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.4	176.2	-176.9	0	0	0	0	108.6	I270 T302 D304	I270-V286 HydrophobicContact CG2-CG1 3.57Å; V286-T302 PolarHBondContact N-O 3.36Å; V286-T302 PolarHBondContact O-N 2.66Å; V286-T302 PolarHBondContact O-OG1 3.01Å; V286-D304 HydrophobicContact CG2-CB 4Å
287	L	97.7	Very high	97.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.8	171.3	-54.4	93.9	0	0	0	109.8	V222 V240 I270 I271 A273 I285 V301	V222-L287 HydrophobicContact CB-CD1 4.45Å; V222-L287 HydrophobicContact CB-CD2 4.46Å; V222-L287 HydrophobicContact CG2-CD1 4.12Å; V240-L287 HydrophobicContact CB-CD2 3.99Å; V240-L287 HydrophobicContact CG1-CD2 4.47Å; V240-L287 HydrophobicContact CG2-CD2 3.91Å; I270-L287 CarbonylContact C-O 3.26Å; I270-L287 WeakPolarHBondContact CA-O 3.28Å; I271-L287 HydrophobicContact CB-CB 4.26Å; I271-L287 HydrophobicContact CB-CD1 4.31Å; I271-L287 HydrophobicContact CG2-CD1 4.39Å; I271-L287 PolarHBondContact N-O 3.4Å; I271-L287 PolarHBondContact O-N 2.67Å; A273-L287 HydrophobicContact CB-CD1 4.09Å; I285-L287 HydrophobicContact CG2-CD1 3.79Å; I285-L287 HydrophobicContact CG2-CG 4.33Å; L287-V301 HydrophobicContact CD2-CG2 3.82Å; L287-V301 HydrophobicContact CG-CG2 4.06Å
288	R	97.9	Very high	97.6	Very high	67 Å²	67	41.8 Å²	41.8	25%	0.253	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.3	174.3	-175.1	165.6	-174.4	-167.1	-3.3	111.5	D266 S268 V269 I270 Y290 D300	D266-R288 IonicContact OD1-NH2 3.83Å; D266-R288 IonicContact OD2-CZ 3.53Å; D266-R288 IonicContact OD2-NH2 3.56Å; D266-R288 PolarHBondContact OD2-NH2 3.14Å; S268-R288 PolarHBondContact OG-NE 3.28Å; S268-R288 PolarHBondContact OG-NH2 3.27Å; V269-R288 CarbonylContact O-C 3.58Å; V269-R288 WeakPolarHBondContact O-CA 3.24Å; I270-R288 HydrophobicContact CD1-CB 3.79Å; I270-R288 HydrophobicContact CD1-CG 3.62Å; R288-Y290 HydrophobicContact CB-CE2 4.4Å; R288-Y290 WeakPolarHBondContact CD-OH 3.45Å; R288-Y290 HydrophobicContact CG-CD2 4.44Å; R288-Y290 HydrophobicContact CG-CE1 4.23Å; R288-Y290 HydrophobicContact CG-CE2 3.91Å; R288-D300 PolarHBondContact N-O 3.05Å; R288-D300 WeakPolarHBondContact O-CB 3.33Å
289	S	98.4	Very high	97.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.8	167.9	170.2	0	0	0	0	110.5	S268 V269 D291 A292 C293	S268-S289 WeakPolarHBondContact CA-O 3.49Å; S268-S289 VanDerWaalsContact CB-O 3.29Å; S268-S289 WeakPolarHBondContact CB-O 3.46Å; V269-S289 PolarHBondContact N-O 3.34Å; V269-S289 PolarHBondContact O-N 3.16Å; S289-D291 PolarHBondContact OG-N 3.5Å; S289-D291 PolarHBondContact OG-OD1 2.8Å; S289-A292 PolarHBondContact OG-N 2.92Å; S289-C293 WeakPolarHBondContact OG-CA 3.48Å; S289-C293 PolarHBondContact OG-N 2.92Å
290	Y	97.5	Very high	97.5	Very high	108 Å²	108	47.4 Å²	47.4	42%	0.424	22%	0.219	S	C	.	.	S	Bend	trans	-109.1	-0	177	-61.2	-89.4	0	0	0	112.5	R288 R297	R288-Y290 HydrophobicContact CB-CE2 4.4Å; R288-Y290 WeakPolarHBondContact CD-OH 3.45Å; R288-Y290 HydrophobicContact CG-CD2 4.44Å; R288-Y290 HydrophobicContact CG-CE1 4.23Å; R288-Y290 HydrophobicContact CG-CE2 3.91Å; Y290-R297 VanDerWaalsContact CD2-NH2 3.35Å
291	D	97.7	Very high	97.6	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	20%	0.195	C	C	.	.	S	Bend	trans	-131.9	34.2	-171.7	58.1	5.9	0	0	0	111.5	S289 C293 D294 T295	S289-D291 PolarHBondContact OG-N 3.5Å; S289-D291 PolarHBondContact OG-OD1 2.8Å; D291-C293 VanDerWaalsContact C-N 3.28Å; D291-C293 PolarHBondContact O-N 3.26Å; D291-D294 HydrophobicContact CB-CB 4.27Å; D291-D294 WeakPolarHBondContact O-CB 3.42Å; D291-D294 PolarHBondContact O-N 2.86Å; D291-D294 VanDerWaalsContact O-N 3.14Å; D291-T295 PolarHBondContact OD1-N 2.78Å; D291-T295 WeakPolarHBondContact OD2-CB 3.16Å; D291-T295 PolarHBondContact OD2-N 2.81Å; D291-T295 PolarHBondContact OD2-OG1 2.73Å
292	A	97.9	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	44.3	178.4	0	0	0	0	0	113.6	K200 W205 R208 I210 S289 D294	K200-A292 HydrophobicContact CD-CB 4.01Å; K200-A292 HydrophobicContact CG-CB 4.09Å; W205-A292 HydrophobicContact CB-CB 3.8Å; W205-A292 HydrophobicContact CG-CB 4.15Å; R208-A292 WeakPolarHBondContact CD-O 3.38Å; R208-A292 PolarHBondContact NH1-O 3.05Å; I210-A292 HydrophobicContact CD1-CB 4.31Å; I210-A292 WeakPolarHBondContact CD1-O 3.43Å; S289-A292 PolarHBondContact OG-N 2.92Å; A292-D294 PolarHBondContact O-N 2.82Å
293	C	98.4	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	17	-179.9	-61.3	0	0	0	0	115.6	I210 C224 L226 S289 D291 T295	I210-C293 HydrophobicContact CD1-CB 4.26Å; I210-C293 HydrophobicContact CG2-CB 4.04Å; C224-C293 HydrophobicContact CB-CB 4.01Å; L226-C293 HydrophobicContact CD2-CB 3.81Å; S289-C293 WeakPolarHBondContact OG-CA 3.48Å; S289-C293 PolarHBondContact OG-N 2.92Å; D291-C293 VanDerWaalsContact C-N 3.28Å; D291-C293 PolarHBondContact O-N 3.26Å; C293-T295 PolarHBondContact O-N 2.91Å
294	D	97.5	Very high	97.6	Very high	46 Å²	46	42.4 Å²	42.4	25%	0.246	20%	0.204	C	C	.	.	S	Bend	trans	-57	-41.9	164.1	-82.4	-21.3	0	0	0	110.1	W205 R208 T238 D291 A292	W205-D294 PolarHBondContact NE1-OD2 2.86Å; W205-D294 VanDerWaalsContact NE1-OD2 3.11Å; R208-D294 IonicContact CZ-OD1 3.99Å; R208-D294 IonicContact NH1-OD1 2.7Å; R208-D294 PolarHBondContact NH1-OD1 2.87Å; R208-D294 IonicContact NH1-OD2 3.36Å; R208-D294 PolarHBondContact NH1-OD2 2.8Å; R208-D294 IonicContact NH2-OD1 3.74Å; R208-D294 PolarHBondContact NH2-OD1 2.88Å; T238-D294 PolarHBondContact N-O 3.5Å; T238-D294 PolarHBondContact OG1-O 3.46Å; D291-D294 HydrophobicContact CB-CB 4.27Å; D291-D294 WeakPolarHBondContact O-CB 3.42Å; D291-D294 PolarHBondContact O-N 2.86Å; D291-D294 VanDerWaalsContact O-N 3.14Å; A292-D294 PolarHBondContact O-N 2.82Å
295	T	97.6	Very high	97.6	Very high	42 Å²	42	47.3 Å²	47.3	26%	0.258	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-131.3	131.1	173.6	77.5	0	0	0	0	115.2	T238 D291 C293	T238-T295 WeakPolarHBondContact OG1-CA 3.27Å; T238-T295 VanDerWaalsContact OG1-CB 3.27Å; T238-T295 WeakPolarHBondContact OG1-CB 3.49Å; T238-T295 WeakPolarHBondContact OG1-CG2 3.1Å; D291-T295 PolarHBondContact OD1-N 2.78Å; D291-T295 WeakPolarHBondContact OD2-CB 3.16Å; D291-T295 PolarHBondContact OD2-N 2.81Å; D291-T295 PolarHBondContact OD2-OG1 2.73Å; C293-T295 PolarHBondContact O-N 2.91Å
296	L	97.6	Very high	97.5	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	25%	0.252	C	S	.	.			trans	-107.4	120.1	164	-55.3	-174.5	0	0	0	108.3	V222 T238 V240 I271	V222-L296 HydrophobicContact CB-CD1 4.38Å; V222-L296 HydrophobicContact CG1-CD1 3.68Å; T238-L296 WeakPolarHBondContact O-CB 3.48Å; T238-L296 WeakPolarHBondContact O-CG 3.49Å; T238-L296 PolarHBondContact O-N 3.03Å; V240-L296 HydrophobicContact CG2-CB 3.79Å; V240-L296 WeakPolarHBondContact CG2-O 3.05Å; I271-L296 HydrophobicContact CD1-CD1 3.65Å; I271-L296 HydrophobicContact CD1-CD2 3.61Å; I271-L296 HydrophobicContact CD1-CG 4.3Å
297	R	96.3	Very high	97.5	Very high	72 Å²	72	50 Å²	50	27%	0.272	25%	0.247	S	C	.	.			trans	-111.7	134.4	-173.3	-54.4	173.8	-60.7	-149.8	-2.8	109.4	Y290 R299 D300	Y290-R297 VanDerWaalsContact CD2-NH2 3.35Å; R297-R299 HydrophobicContact CB-CG 4.03Å; R297-R299 PolarHBondContact O-N 3Å; R297-D300 WeakPolarHBondContact CB-OD2 3.4Å; R297-D300 IonicContact CZ-OD2 3.17Å; R297-D300 IonicContact NE-OD2 3.42Å; R297-D300 PolarHBondContact NE-OD2 2.84Å; R297-D300 IonicContact NH2-OD1 2.67Å; R297-D300 PolarHBondContact NH2-OD1 2.91Å; R297-D300 IonicContact NH2-OD2 2.74Å; R297-D300 PolarHBondContact NH2-OD2 3.41Å; R297-D300 PolarHBondContact O-N 3.27Å
298	P	95.6	Very high	97.5	Very high	99 Å²	99	51.6 Å²	51.6	64%	0.643	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-53.8	-29.7	177.5	-30.1	36.2	0	0	0	114.5	V240 D300 V301	V240-P298 HydrophobicContact CG2-CG 4.4Å; P298-D300 PolarHBondContact O-N 2.88Å; P298-V301 WeakPolarHBondContact O-CB 3.37Å; P298-V301 WeakPolarHBondContact O-CG2 3.05Å; P298-V301 PolarHBondContact O-N 3.46Å
299	R	96.6	Very high	97.5	Very high	187 Å²	187	48.5 Å²	48.5	71%	0.706	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-67	-19.6	177.3	72.6	177.8	-175.1	179.3	-1.3	114.7	R297	R297-R299 HydrophobicContact CB-CG 4.03Å; R297-R299 PolarHBondContact O-N 3Å
300	D	97.1	Very high	97.5	Very high	27 Å²	27	49 Å²	49	14%	0.144	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-99.8	12.3	179.8	-55.3	-50.8	0	0	0	111.7	R288 R297 P298	R288-D300 PolarHBondContact N-O 3.05Å; R288-D300 WeakPolarHBondContact O-CB 3.33Å; R297-D300 WeakPolarHBondContact CB-OD2 3.4Å; R297-D300 IonicContact CZ-OD2 3.17Å; R297-D300 IonicContact NE-OD2 3.42Å; R297-D300 PolarHBondContact NE-OD2 2.84Å; R297-D300 IonicContact NH2-OD1 2.67Å; R297-D300 PolarHBondContact NH2-OD1 2.91Å; R297-D300 IonicContact NH2-OD2 2.74Å; R297-D300 PolarHBondContact NH2-OD2 3.41Å; R297-D300 PolarHBondContact O-N 3.27Å; P298-D300 PolarHBondContact O-N 2.88Å
301	V	97.8	Very high	97.6	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.3	172.8	-178.2	0	0	0	0	108.8	V240 F254 I285 L287 P298 F303	V240-V301 HydrophobicContact CG1-CG2 4.25Å; V240-V301 HydrophobicContact CG2-CG2 4.42Å; F254-V301 HydrophobicContact CE2-CG1 3.87Å; F254-V301 HydrophobicContact CZ-CG1 3.96Å; F254-V301 HydrophobicContact CZ-CG2 4.37Å; I285-V301 HydrophobicContact CG2-CG1 3.78Å; L287-V301 HydrophobicContact CD2-CG2 3.82Å; L287-V301 HydrophobicContact CG-CG2 4.06Å; P298-V301 WeakPolarHBondContact O-CB 3.37Å; P298-V301 WeakPolarHBondContact O-CG2 3.05Å; P298-V301 PolarHBondContact O-N 3.46Å; V301-F303 HydrophobicContact CG1-CE2 4.45Å; V301-F303 HydrophobicContact CG1-CZ 4.32Å
302	T	97.9	Very high	97.6	Very high	79 Å²	79	43 Å²	43	49%	0.485	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	172.6	175.4	57.5	0	0	0	0	110	V286	V286-T302 PolarHBondContact N-O 3.36Å; V286-T302 PolarHBondContact O-N 2.66Å; V286-T302 PolarHBondContact O-OG1 3.01Å
303	F	97.8	Very high	97.6	Very high	58 Å²	58	43 Å²	43	25%	0.254	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.3	179	-59.3	-94.1	0	0	0	107.7	F254 Y279 R284 I285 V301 P305	F254-F303 HydrophobicContact CD2-CZ 4.3Å; F254-F303 HydrophobicContact CE2-CZ 4.22Å; Y279-F303 AromaticContact CD1-CE1 3.74Å; Y279-F303 HydrophobicContact CD1-CE1 3.74Å; Y279-F303 HydrophobicContact CD1-CE2 4.2Å; Y279-F303 AromaticContact CD1-CZ 3.35Å; Y279-F303 HydrophobicContact CD1-CZ 3.35Å; Y279-F303 HydrophobicContact CE1-CE2 4.31Å; Y279-F303 AromaticContact CE1-CZ 3.83Å; Y279-F303 HydrophobicContact CE1-CZ 3.83Å; R284-F303 WeakPolarHBondContact O-CA 3.28Å; I285-F303 HydrophobicContact CD1-CE1 4.09Å; I285-F303 HydrophobicContact CG1-CD1 3.85Å; I285-F303 HydrophobicContact CG1-CE1 3.48Å; I285-F303 VanDerWaalsContact CG1-CE1 3.48Å; I285-F303 HydrophobicContact CG1-CZ 4.32Å; V301-F303 HydrophobicContact CG1-CE2 4.45Å; V301-F303 HydrophobicContact CG1-CZ 4.32Å; F303-P305 VanDerWaalsContact O-CD 3.24Å; F303-P305 WeakPolarHBondContact O-CD 3.35Å
304	D	97.8	Very high	97.6	Very high	14 Å²	14	43.1 Å²	43.1	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	97.6	179.1	-173.8	-24.7	0	0	0	109.9	C283 R284 V286 E306 L307 W350	C283-D304 WeakPolarHBondContact CB-O 3.46Å; C283-D304 VanDerWaalsContact SG-C 3.56Å; C283-D304 PolarHBondContact SG-O 2.85Å; C283-D304 VanDerWaalsContact SG-O 3.38Å; R284-D304 PolarHBondContact O-N 3.4Å; V286-D304 HydrophobicContact CG2-CB 4Å; D304-E306 PolarHBondContact O-N 2.88Å; D304-E306 WeakPolarHBondContact OD1-CB 2.98Å; D304-E306 PolarHBondContact OD1-N 2.84Å; D304-L307 HydrophobicContact CB-CB 4.2Å; D304-L307 HydrophobicContact CB-CD1 4.33Å; D304-L307 HydrophobicContact CB-CG 4.21Å; D304-L307 PolarHBondContact O-N 2.77Å; D304-L307 VanDerWaalsContact O-N 3.09Å; D304-L307 PolarHBondContact OD1-N 2.92Å; D304-L307 WeakPolarHBondContact OD2-CG 3.48Å; D304-W350 PolarHBondContact OD2-NE1 2.82Å
305	P	96.9	Very high	97.6	Very high	104 Å²	104	41 Å²	41	68%	0.675	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-17.1	-177.5	29.8	-36.2	0	0	0	113.6	F303 L307	F303-P305 VanDerWaalsContact O-CD 3.24Å; F303-P305 WeakPolarHBondContact O-CD 3.35Å; P305-L307 VanDerWaalsContact C-N 3.31Å
306	E	96.8	Very high	97.7	Very high	76 Å²	76	39.3 Å²	39.3	36%	0.355	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-27.7	173.4	-65.3	-164.7	-123.4	0	0	111.1	D304 V308 R341	D304-E306 PolarHBondContact O-N 2.88Å; D304-E306 WeakPolarHBondContact OD1-CB 2.98Å; D304-E306 PolarHBondContact OD1-N 2.84Å; E306-V308 VanDerWaalsContact C-N 3.31Å; E306-V308 PolarHBondContact O-N 3.46Å; E306-V308 VanDerWaalsContact O-N 3.14Å; E306-R341 PolarHBondContact O-NH1 3.46Å
307	L	98	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	65.2	173.1	-62.1	-170.7	0	0	0	112.6	N272 C283 R284 D304 P305 F326 R341 W350	N272-L307 WeakPolarHBondContact ND2-CD1 3.23Å; C283-L307 VanDerWaalsContact CA-O 3.28Å; C283-L307 WeakPolarHBondContact CA-O 3.19Å; R284-L307 HydrophobicContact CB-CB 4.06Å; R284-L307 HydrophobicContact CB-CD1 4.28Å; R284-L307 HydrophobicContact CG-CB 3.61Å; R284-L307 HydrophobicContact CG-CD1 4.03Å; R284-L307 PolarHBondContact N-O 2.7Å; R284-L307 VanDerWaalsContact N-O 3.12Å; D304-L307 HydrophobicContact CB-CB 4.2Å; D304-L307 HydrophobicContact CB-CD1 4.33Å; D304-L307 HydrophobicContact CB-CG 4.21Å; D304-L307 PolarHBondContact O-N 2.77Å; D304-L307 VanDerWaalsContact O-N 3.09Å; D304-L307 PolarHBondContact OD1-N 2.92Å; D304-L307 WeakPolarHBondContact OD2-CG 3.48Å; P305-L307 VanDerWaalsContact C-N 3.31Å; L307-F326 HydrophobicContact CB-CE1 4.38Å; L307-F326 HydrophobicContact CD1-CD1 4.11Å; L307-F326 HydrophobicContact CD1-CD2 4.02Å; L307-F326 HydrophobicContact CD1-CE1 4.14Å; L307-F326 HydrophobicContact CD1-CE2 4.08Å; L307-F326 HydrophobicContact CD1-CG 4.04Å; L307-F326 HydrophobicContact CD1-CZ 4.14Å; L307-F326 HydrophobicContact CD2-CD1 3.52Å; L307-F326 HydrophobicContact CD2-CE1 3.82Å; L307-F326 HydrophobicContact CD2-CG 4.08Å; L307-F326 HydrophobicContact CG-CD1 4.36Å; L307-F326 HydrophobicContact CG-CE1 4.35Å; L307-R341 VanDerWaalsContact CD2-CZ 3.48Å; L307-W350 HydrophobicContact CD1-CH2 4.35Å; L307-W350 HydrophobicContact CD1-CZ2 3.6Å; L307-W350 HydrophobicContact CD2-CD2 3.88Å; L307-W350 HydrophobicContact CD2-CE3 4.4Å; L307-W350 HydrophobicContact CD2-CG 4.35Å; L307-W350 HydrophobicContact CD2-CH2 4.31Å; L307-W350 HydrophobicContact CD2-CZ2 3.79Å; L307-W350 HydrophobicContact CG-CZ2 3.94Å
308	V	98.2	Very high	97.6	Very high	36 Å²	36	37.5 Å²	37.5	22%	0.218	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	138.4	170.1	68.9	0	0	0	0	111.7	R282 E306 N328 A330 P332 R341	R282-V308 WeakPolarHBondContact O-CA 3.32Å; E306-V308 VanDerWaalsContact C-N 3.31Å; E306-V308 PolarHBondContact O-N 3.46Å; E306-V308 VanDerWaalsContact O-N 3.14Å; V308-N328 PolarHBondContact O-ND2 2.75Å; V308-A330 HydrophobicContact CG1-CB 4.31Å; V308-P332 HydrophobicContact CG2-CB 3.88Å; V308-P332 HydrophobicContact CG2-CG 4.44Å; V308-R341 PolarHBondContact O-NH2 3.2Å
309	D	98.6	Very high	97.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.011	18%	0.175	C	C	.	.			trans	-148.4	138.9	-172.1	-168	-98.8	0	0	0	112.3	R282 R284 V311 V312 N328 H331	R282-D309 PolarHBondContact O-N 3.24Å; R282-D309 VanDerWaalsContact O-N 3.11Å; R284-D309 WeakPolarHBondContact CD-OD2 3.45Å; R284-D309 HydrophobicContact CG-CB 4.41Å; R284-D309 IonicContact CZ-OD2 3.18Å; R284-D309 IonicContact NH1-OD1 3.65Å; R284-D309 PolarHBondContact NH1-OD1 2.81Å; R284-D309 IonicContact NH1-OD2 2.78Å; R284-D309 PolarHBondContact NH1-OD2 3.41Å; D309-V311 VanDerWaalsContact C-N 3.33Å; D309-V311 VanDerWaalsContact OD1-CA 3.24Å; D309-V311 WeakPolarHBondContact OD1-CA 3.36Å; D309-V311 PolarHBondContact OD1-N 3.04Å; D309-V312 PolarHBondContact OD1-N 2.88Å; D309-V312 VanDerWaalsContact OD1-N 3.16Å; D309-N328 PolarHBondContact OD2-ND2 2.82Å; D309-H331 CarbonylContact C-O 3.48Å; D309-H331 VanDerWaalsContact C-O 3.26Å
310	P	98.5	Very high	97	Very high	11 Å²	11	28 Å²	28	7%	0.071	17%	0.167	C	C	.	.	S	Bend	trans	-96.5	28.2	178.6	38.4	-36.4	0	0	0	112.2	V312 P329 H331 R335	P310-V312 HydrophobicContact CG-CG1 3.9Å; P310-P329 WeakPolarHBondContact CD-O 3.43Å; P310-P329 HydrophobicContact CG-CB 4.1Å; P310-H331 VanDerWaalsContact CB-O 3.31Å; P310-H331 WeakPolarHBondContact CB-O 3.35Å; P310-H331 WeakPolarHBondContact CD-O 3.47Å; P310-H331 VanDerWaalsContact N-O 3.09Å; P310-R335 HydrophobicContact CG-CG 4.09Å
311	V	98.3	Very high	96.5	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.115	17%	0.17	C	C	.	.	S	Bend	trans	68.2	72.1	-178.8	-173.7	0	0	0	0	111.3	R274 Q276 N278 D309 R335	R274-V311 HydrophobicContact CG-CG1 4.24Å; R274-V311 PolarHBondContact NE-O 2.9Å; Q276-V311 WeakPolarHBondContact O-CG1 3.37Å; N278-V311 WeakPolarHBondContact OD1-CG2 3.31Å; D309-V311 VanDerWaalsContact C-N 3.33Å; D309-V311 VanDerWaalsContact OD1-CA 3.24Å; D309-V311 WeakPolarHBondContact OD1-CA 3.36Å; D309-V311 PolarHBondContact OD1-N 3.04Å; V311-R335 PolarHBondContact O-NH2 2.89Å
312	V	98.3	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.			trans	-149.8	152.6	-175	65.5	0	0	0	0	112	R284 D309 P310 A314 P329 R335 Y364	R284-V312 PolarHBondContact NH1-O 2.82Å; D309-V312 PolarHBondContact OD1-N 2.88Å; D309-V312 VanDerWaalsContact OD1-N 3.16Å; P310-V312 HydrophobicContact CG-CG1 3.9Å; V312-A314 PolarHBondContact O-N 3Å; V312-P329 HydrophobicContact CG1-CG 4.05Å; V312-R335 HydrophobicContact CB-CG 4.43Å; V312-R335 HydrophobicContact CG2-CG 4.38Å; V312-Y364 HydrophobicContact CG2-CD1 3.54Å; V312-Y364 HydrophobicContact CG2-CE1 3.7Å
313	A	98.2	Very high	96	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	14%	0.142	C	C	.	.			trans	-59.6	140.1	167	0	0	0	0	0	110.3	P194 E258 Y364	P194-A313 HydrophobicContact CG-CB 3.9Å; E258-A313 HydrophobicContact CB-CB 4.19Å; E258-A313 WeakPolarHBondContact OE2-CA 3.31Å; E258-A313 WeakPolarHBondContact OE2-CB 3.36Å; E258-A313 PolarHBondContact OE2-N 2.84Å; A313-Y364 HydrophobicContact CB-CD1 4.17Å; A313-Y364 HydrophobicContact CB-CD2 3.39Å; A313-Y364 HydrophobicContact CB-CE1 4.25Å; A313-Y364 HydrophobicContact CB-CE2 3.47Å; A313-Y364 VanDerWaalsContact CB-CE2 3.47Å; A313-Y364 HydrophobicContact CB-CG 3.75Å
314	A	98.4	Very high	96	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	13%	0.13	C	C	.	.			trans	-125.5	157.1	179.9	0	0	0	0	0	109	Q260 V312 F326 S327 N328 S365	Q260-A314 WeakPolarHBondContact CG-O 3.46Å; V312-A314 PolarHBondContact O-N 3Å; A314-F326 HydrophobicContact CB-CE2 3.48Å; A314-F326 VanDerWaalsContact CB-CE2 3.48Å; A314-F326 HydrophobicContact CB-CZ 3.49Å; A314-F326 VanDerWaalsContact CB-CZ 3.49Å; A314-S327 WeakPolarHBondContact CA-O 3.29Å; A314-S327 WeakPolarHBondContact CB-O 3.44Å; A314-N328 HydrophobicContact CB-CB 3.72Å; A314-S365 CarbonylContact C-O 3.19Å
315	G	98.4	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.7	171.3	0	0	0	0	0	110.9	F326 S327 S365 L367	G315-F326 CarbonylContact O-C 3.56Å; G315-F326 WeakPolarHBondContact O-CA 3.41Å; G315-F326 WeakPolarHBondContact O-CD2 3.13Å; G315-S327 PolarHBondContact N-O 2.86Å; G315-S327 PolarHBondContact O-N 2.7Å; G315-S365 WeakPolarHBondContact CA-O 3.29Å; G315-S365 PolarHBondContact N-O 3.36Å; G315-S365 PolarHBondContact N-OG 2.95Å; G315-L367 VanDerWaalsContact O-CD1 3.25Å; G315-L367 WeakPolarHBondContact O-CD1 3.25Å
316	A	98	Very high	96.1	Very high	7 Å²	7	15 Å²	15	6%	0.058	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.9	171.5	0	0	0	0	0	110.8	Q260 Y262 N272 F325 F326	Q260-A316 HydrophobicContact CB-CB 4.05Å; Y262-A316 HydrophobicContact CD1-CB 3.81Å; Y262-A316 HydrophobicContact CE1-CB 3.83Å; N272-A316 HydrophobicContact CB-CB 4.36Å; A316-F325 WeakPolarHBondContact CA-O 3.37Å; A316-F326 HydrophobicContact CB-CD2 4.12Å
317	L	96.6	Very high	96.2	Very high	20 Å²	20	11.4 Å²	11.4	11%	0.105	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.4	168	67.1	77.8	0	0	0	111	T319 V324 F325 L367 A369 L383	L317-T319 HydrophobicContact CD1-CG2 4.44Å; L317-V324 CarbonylContact O-C 3.56Å; L317-V324 WeakPolarHBondContact O-CA 3.4Å; L317-F325 HydrophobicContact CD1-CB 4.21Å; L317-F325 HydrophobicContact CD1-CD2 3.87Å; L317-F325 HydrophobicContact CD1-CG 4.5Å; L317-F325 HydrophobicContact CG-CB 4.38Å; L317-F325 PolarHBondContact N-O 2.92Å; L317-F325 PolarHBondContact O-N 3.36Å; L317-L367 HydrophobicContact CD2-CB 3.43Å; L317-L367 VanDerWaalsContact CD2-CB 3.43Å; L317-L367 HydrophobicContact CG-CB 4.05Å; L317-A369 HydrophobicContact CD1-CB 4.4Å; L317-A369 HydrophobicContact CD2-CB 4.26Å; L317-L383 HydrophobicContact CD1-CD1 4.12Å; L317-L383 HydrophobicContact CD2-CD1 3.72Å; L317-L383 HydrophobicContact CG-CD1 4.21Å
318	A	95.8	Very high	96.2	Very high	22 Å²	22	11.4 Å²	11.4	18%	0.182	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.8	167.6	0	0	0	0	0	109.4	Y262 E263 I323 V324	Y262-A318 HydrophobicContact CD2-CB 3.78Å; Y262-A318 HydrophobicContact CG-CB 4.4Å; E263-A318 WeakPolarHBondContact O-CB 3.46Å; A318-I323 CarbonylContact C-O 3.46Å; A318-I323 WeakPolarHBondContact CA-O 3.29Å; A318-V324 HydrophobicContact CB-CG2 4.22Å
319	T	93	Very high	96.2	Very high	7 Å²	7	9.7 Å²	9.7	4%	0.043	7%	0.067	C	C	.	.			trans	-74.3	161.9	170	63	0	0	0	0	110.7	L317 S321 G322 I323 F325 E371	L317-T319 HydrophobicContact CD1-CG2 4.44Å; T319-S321 PolarHBondContact O-N 3.09Å; T319-S321 PolarHBondContact OG1-OG 3.47Å; T319-G322 PolarHBondContact O-N 3.29Å; T319-G322 PolarHBondContact OG1-N 3.39Å; T319-I323 HydrophobicContact CG2-CB 4.32Å; T319-I323 PolarHBondContact N-O 2.96Å; T319-I323 WeakPolarHBondContact OG1-CB 3.41Å; T319-I323 PolarHBondContact OG1-N 2.93Å; T319-I323 PolarHBondContact OG1-O 3.43Å; T319-F325 HydrophobicContact CG2-CD2 4.16Å; T319-F325 HydrophobicContact CG2-CE2 3.77Å; T319-E371 VanDerWaalsContact CA-OE1 3.22Å; T319-E371 WeakPolarHBondContact CA-OE1 3.43Å
320	S	87.4	Confident	96.2	Very high	78 Å²	78	10.1 Å²	10.1	55%	0.545	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.8	174.6	69.8	0	0	0	0	113.3	R202 E371	R202-S320 PolarHBondContact NH2-O 3.39Å; S320-E371 VanDerWaalsContact CB-OE2 3.27Å; S320-E371 WeakPolarHBondContact CB-OE2 3.41Å; S320-E371 VanDerWaalsContact N-CD 3.29Å; S320-E371 PolarHBondContact N-OE1 2.93Å; S320-E371 PolarHBondContact N-OE2 2.86Å; S320-E371 PolarHBondContact OG-OE2 2.91Å
321	S	85.1	Confident	96.2	Very high	30 Å²	30	12.3 Å²	12.3	21%	0.21	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.4	174	58.5	0	0	0	0	114.3	D43 F45 T319	D43-S321 WeakPolarHBondContact OD1-CB 3.29Å; F45-S321 WeakPolarHBondContact CZ-O 3.26Å; T319-S321 PolarHBondContact O-N 3.09Å; T319-S321 PolarHBondContact OG1-OG 3.47Å
322	G	91.1	Very high	96.2	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.031	9%	0.09	C	C	.	.			trans	101	10	176.9	0	0	0	0	0	115.7	T319 V324	T319-G322 PolarHBondContact O-N 3.29Å; T319-G322 PolarHBondContact OG1-N 3.39Å; G322-V324 PolarHBondContact O-N 2.84Å
323	I	95	Very high	96.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.113	C	C	.	.			trans	-75.3	120.6	171.1	-52.1	169.3	0	0	0	107.9	F45 V48 A318 T319 F325 W342 F344 V405	F45-I323 HydrophobicContact CD1-CD1 3.98Å; F45-I323 HydrophobicContact CD1-CG1 3.8Å; F45-I323 HydrophobicContact CE1-CD1 3.9Å; F45-I323 HydrophobicContact CE1-CG1 3.4Å; F45-I323 VanDerWaalsContact CE1-CG1 3.4Å; F45-I323 HydrophobicContact CZ-CG1 3.88Å; V48-I323 HydrophobicContact CG2-CD1 3.68Å; A318-I323 CarbonylContact C-O 3.46Å; A318-I323 WeakPolarHBondContact CA-O 3.29Å; T319-I323 HydrophobicContact CG2-CB 4.32Å; T319-I323 PolarHBondContact N-O 2.96Å; T319-I323 WeakPolarHBondContact OG1-CB 3.41Å; T319-I323 PolarHBondContact OG1-N 2.93Å; T319-I323 PolarHBondContact OG1-O 3.43Å; I323-F325 HydrophobicContact CB-CE2 3.95Å; I323-F325 HydrophobicContact CB-CZ 4.44Å; I323-F325 HydrophobicContact CG2-CD2 4.07Å; I323-F325 HydrophobicContact CG2-CE1 4.28Å; I323-F325 HydrophobicContact CG2-CE2 3.47Å; I323-F325 VanDerWaalsContact CG2-CE2 3.47Å; I323-F325 HydrophobicContact CG2-CZ 3.59Å; I323-W342 HydrophobicContact CG2-CB 4.24Å; I323-F344 HydrophobicContact CG1-CD1 4.3Å; I323-F344 HydrophobicContact CG1-CE1 4.4Å; I323-F344 HydrophobicContact CG2-CD1 4.31Å; I323-F344 HydrophobicContact CG2-CE1 4.18Å; I323-V405 HydrophobicContact CD1-CG1 4.33Å
324	V	97.2	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.5	174.9	-178.5	0	0	0	0	108.7	Y262 L264 L317 A318 G322 W342 S343 W350	Y262-V324 HydrophobicContact CE1-CG1 4.46Å; Y262-V324 HydrophobicContact CE2-CG1 3.92Å; Y262-V324 HydrophobicContact CE2-CG2 4.02Å; L264-V324 HydrophobicContact CD2-CG2 3.99Å; L317-V324 CarbonylContact O-C 3.56Å; L317-V324 WeakPolarHBondContact O-CA 3.4Å; A318-V324 HydrophobicContact CB-CG2 4.22Å; G322-V324 PolarHBondContact O-N 2.84Å; V324-W342 CarbonylContact O-C 3.5Å; V324-W342 WeakPolarHBondContact O-CA 3.21Å; V324-W342 WeakPolarHBondContact O-CB 3.27Å; V324-S343 PolarHBondContact N-O 3.2Å; V324-S343 PolarHBondContact O-N 2.96Å; V324-W350 HydrophobicContact CG1-CH2 3.93Å
325	F	98	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142	173.5	-70.3	-81.8	0	0	0	110.5	P50 A316 L317 T319 I323 L340 R341 W342 L367 L383 V405	P50-F325 HydrophobicContact CG-CE1 4.08Å; A316-F325 WeakPolarHBondContact CA-O 3.37Å; L317-F325 HydrophobicContact CD1-CB 4.21Å; L317-F325 HydrophobicContact CD1-CD2 3.87Å; L317-F325 HydrophobicContact CD1-CG 4.5Å; L317-F325 HydrophobicContact CG-CB 4.38Å; L317-F325 PolarHBondContact N-O 2.92Å; L317-F325 PolarHBondContact O-N 3.36Å; T319-F325 HydrophobicContact CG2-CD2 4.16Å; T319-F325 HydrophobicContact CG2-CE2 3.77Å; I323-F325 HydrophobicContact CB-CE2 3.95Å; I323-F325 HydrophobicContact CB-CZ 4.44Å; I323-F325 HydrophobicContact CG2-CD2 4.07Å; I323-F325 HydrophobicContact CG2-CE1 4.28Å; I323-F325 HydrophobicContact CG2-CE2 3.47Å; I323-F325 VanDerWaalsContact CG2-CE2 3.47Å; I323-F325 HydrophobicContact CG2-CZ 3.59Å; F325-L340 HydrophobicContact CB-CD1 4.29Å; F325-L340 HydrophobicContact CD1-CD1 4.2Å; F325-L340 HydrophobicContact CD1-CD2 4.26Å; F325-L340 HydrophobicContact CD1-CG 4.39Å; F325-R341 WeakPolarHBondContact CA-O 3.14Å; F325-W342 HydrophobicContact CD1-CB 3.68Å; F325-W342 HydrophobicContact CE1-CB 3.69Å; F325-W342 HydrophobicContact CE1-CG 4.24Å; F325-W342 HydrophobicContact CG-CB 4.46Å; F325-W342 HydrophobicContact CZ-CB 4.48Å; F325-L367 HydrophobicContact CB-CD2 4.1Å; F325-L383 HydrophobicContact CB-CD1 4.48Å; F325-L383 HydrophobicContact CB-CD2 4.3Å; F325-L383 HydrophobicContact CD1-CD2 3.7Å; F325-L383 HydrophobicContact CD2-CD1 4.35Å; F325-L383 HydrophobicContact CD2-CD2 4.46Å; F325-L383 HydrophobicContact CE1-CD2 4.11Å; F325-L383 HydrophobicContact CG-CD1 4.35Å; F325-L383 HydrophobicContact CG-CD2 3.9Å; F325-V405 HydrophobicContact CE2-CG2 4.36Å; F325-V405 HydrophobicContact CZ-CG1 3.99Å; F325-V405 HydrophobicContact CZ-CG2 3.93Å
326	F	98.7	Very high	96.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.6	179	178.1	-94.7	0	0	0	110.9	N272 R284 L307 A314 G315 A316 N328 L340 R341 W350	N272-F326 WeakPolarHBondContact OD1-CE2 3.47Å; R284-F326 HydrophobicContact CG-CE1 4.49Å; R284-F326 HydrophobicContact CG-CE2 4.09Å; R284-F326 HydrophobicContact CG-CZ 3.64Å; L307-F326 HydrophobicContact CB-CE1 4.38Å; L307-F326 HydrophobicContact CD1-CD1 4.11Å; L307-F326 HydrophobicContact CD1-CD2 4.02Å; L307-F326 HydrophobicContact CD1-CE1 4.14Å; L307-F326 HydrophobicContact CD1-CE2 4.08Å; L307-F326 HydrophobicContact CD1-CG 4.04Å; L307-F326 HydrophobicContact CD1-CZ 4.14Å; L307-F326 HydrophobicContact CD2-CD1 3.52Å; L307-F326 HydrophobicContact CD2-CE1 3.82Å; L307-F326 HydrophobicContact CD2-CG 4.08Å; L307-F326 HydrophobicContact CG-CD1 4.36Å; L307-F326 HydrophobicContact CG-CE1 4.35Å; A314-F326 HydrophobicContact CB-CE2 3.48Å; A314-F326 VanDerWaalsContact CB-CE2 3.48Å; A314-F326 HydrophobicContact CB-CZ 3.49Å; A314-F326 VanDerWaalsContact CB-CZ 3.49Å; G315-F326 CarbonylContact O-C 3.56Å; G315-F326 WeakPolarHBondContact O-CA 3.41Å; G315-F326 WeakPolarHBondContact O-CD2 3.13Å; A316-F326 HydrophobicContact CB-CD2 4.12Å; F326-N328 HydrophobicContact CE1-CB 3.77Å; F326-N328 WeakPolarHBondContact CE1-OD1 3.34Å; F326-N328 HydrophobicContact CZ-CB 3.85Å; F326-L340 WeakPolarHBondContact O-CA 3.37Å; F326-R341 PolarHBondContact N-O 2.56Å; F326-R341 PolarHBondContact O-N 3.49Å; F326-W350 HydrophobicContact CB-CH2 3.41Å; F326-W350 VanDerWaalsContact CB-CH2 3.41Å; F326-W350 HydrophobicContact CB-CZ2 4.34Å; F326-W350 HydrophobicContact CB-CZ3 3.58Å; F326-W350 HydrophobicContact CG-CH2 4.28Å
327	S	98.7	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133	174.1	67.8	0	0	0	0	111.8	A314 G315 T339 S365 L367	A314-S327 WeakPolarHBondContact CA-O 3.29Å; A314-S327 WeakPolarHBondContact CB-O 3.44Å; G315-S327 PolarHBondContact N-O 2.86Å; G315-S327 PolarHBondContact O-N 2.7Å; S327-T339 WeakPolarHBondContact CA-O 3.34Å; S327-S365 PolarHBondContact O-OG 3.14Å; S327-S365 WeakPolarHBondContact OG-CB 3.15Å; S327-S365 PolarHBondContact OG-OG 3.43Å; S327-L367 WeakPolarHBondContact OG-CD1 3.45Å
328	N	98.8	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	170.7	169.1	79.3	-29.6	0	0	0	110	V308 D309 A314 F326 A330 L338 T339 R341	V308-N328 PolarHBondContact O-ND2 2.75Å; D309-N328 PolarHBondContact OD2-ND2 2.82Å; A314-N328 HydrophobicContact CB-CB 3.72Å; F326-N328 HydrophobicContact CE1-CB 3.77Å; F326-N328 WeakPolarHBondContact CE1-OD1 3.34Å; F326-N328 HydrophobicContact CZ-CB 3.85Å; N328-A330 PolarHBondContact O-N 3Å; N328-A330 VanDerWaalsContact O-N 3.12Å; N328-L338 VanDerWaalsContact C-CD1 3.46Å; N328-L338 WeakPolarHBondContact O-CA 3.22Å; N328-T339 PolarHBondContact N-O 3.47Å; N328-T339 PolarHBondContact O-N 3.47Å; N328-R341 PolarHBondContact OD1-NH2 2.78Å
329	P	98.7	Very high	96.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	103.1	163.8	-18.2	31.8	0	0	0	109.6	P310 V312 H331 V336 L338 S362 G363	P310-P329 WeakPolarHBondContact CD-O 3.43Å; P310-P329 HydrophobicContact CG-CB 4.1Å; V312-P329 HydrophobicContact CG1-CG 4.05Å; P329-H331 VanDerWaalsContact C-N 3.29Å; P329-H331 PolarHBondContact O-N 3.04Å; P329-V336 CarbonylContact C-O 3.45Å; P329-V336 WeakPolarHBondContact CA-O 3.43Å; P329-V336 VanDerWaalsContact CB-O 3.29Å; P329-V336 WeakPolarHBondContact CB-O 3.22Å; P329-L338 HydrophobicContact CG-CD1 4.19Å; P329-S362 WeakPolarHBondContact CG-O 3.25Å; P329-G363 WeakPolarHBondContact CD-O 3.14Å; P329-G363 WeakPolarHBondContact CG-O 3.49Å
330	A	98.4	Very high	96.7	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	15%	0.152	C	C	.	.			trans	-83.7	70.3	-170	0	0	0	0	0	111.8	V308 N328 N337	V308-A330 HydrophobicContact CG1-CB 4.31Å; N328-A330 PolarHBondContact O-N 3Å; N328-A330 VanDerWaalsContact O-N 3.12Å; A330-N337 PolarHBondContact N-O 3.02Å; A330-N337 PolarHBondContact O-ND2 3.2Å
331	H	98.4	Very high	97.2	Very high	56 Å²	56	25.5 Å²	25.5	26%	0.259	13%	0.127	S	C	.	.	S	Bend	trans	-146.3	146.4	178.4	-169.9	-68.6	0	0	0	109.9	D309 P310 P329 E333 Y334 V336	D309-H331 CarbonylContact C-O 3.48Å; D309-H331 VanDerWaalsContact C-O 3.26Å; P310-H331 VanDerWaalsContact CB-O 3.31Å; P310-H331 WeakPolarHBondContact CB-O 3.35Å; P310-H331 WeakPolarHBondContact CD-O 3.47Å; P310-H331 VanDerWaalsContact N-O 3.09Å; P329-H331 VanDerWaalsContact C-N 3.29Å; P329-H331 PolarHBondContact O-N 3.04Å; H331-E333 PolarHBondContact ND1-N 2.89Å; H331-E333 PolarHBondContact O-N 2.7Å; H331-Y334 WeakPolarHBondContact CB-O 3.13Å; H331-Y334 AromaticContact CE1-CD2 3.31Å; H331-Y334 WeakPolarHBondContact CE1-CD2 3.07Å; H331-Y334 AromaticContact CE1-CE2 3.96Å; H331-Y334 AromaticContact ND1-CD2 3.88Å; H331-Y334 PolarHBondContact ND1-N 2.79Å; H331-Y334 VanDerWaalsContact ND1-N 3.17Å; H331-Y334 AromaticContact NE2-CD2 3.7Å; H331-V336 HydrophobicContact CB-CG2 4.13Å
332	P	97.7	Very high	97.8	Very high	50 Å²	50	24.6 Å²	24.6	33%	0.325	12%	0.119	S	C	.	.	S	Bend	trans	-68.3	-13.1	-178.2	24.5	-36.1	0	0	0	115.7	R282 V308	R282-P332 HydrophobicContact CB-CB 4.16Å; R282-P332 VanDerWaalsContact CD-O 3.23Å; R282-P332 WeakPolarHBondContact CD-O 3.34Å; R282-P332 PolarHBondContact NH1-O 3.1Å; V308-P332 HydrophobicContact CG2-CB 3.88Å; V308-P332 HydrophobicContact CG2-CG 4.44Å
333	E	97.5	Very high	98.1	Very high	105 Å²	105	24.4 Å²	24.4	49%	0.491	12%	0.117	S	C	.	.	S	Bend	trans	-146.8	-38.5	-162	-69.1	-173.4	-175.8	0	0	112.9	H331	H331-E333 PolarHBondContact ND1-N 2.89Å; H331-E333 PolarHBondContact O-N 2.7Å
334	Y	98.3	Very high	98.1	Very high	142 Å²	142	27 Å²	27	56%	0.557	13%	0.128	S	C	*	.	S	Bend	trans	-108.9	141.2	-176.1	-57	-59	0	0	0	111.8	H331 V336	H331-Y334 WeakPolarHBondContact CB-O 3.13Å; H331-Y334 AromaticContact CE1-CD2 3.31Å; H331-Y334 WeakPolarHBondContact CE1-CD2 3.07Å; H331-Y334 AromaticContact CE1-CE2 3.96Å; H331-Y334 AromaticContact ND1-CD2 3.88Å; H331-Y334 PolarHBondContact ND1-N 2.79Å; H331-Y334 VanDerWaalsContact ND1-N 3.17Å; H331-Y334 AromaticContact NE2-CD2 3.7Å; Y334-V336 PolarHBondContact O-N 3.1Å
335	R	98.6	Very high	98	Very high	46 Å²	46	28.7 Å²	28.7	17%	0.174	14%	0.14	C	C	.	.	S	Bend	trans	-74.6	71.7	171.2	-79.2	-174	-172.8	-171.1	-0.9	110.4	P310 V311 V312 P361 S362 Y394	P310-R335 HydrophobicContact CG-CG 4.09Å; V311-R335 PolarHBondContact O-NH2 2.89Å; V312-R335 HydrophobicContact CB-CG 4.43Å; V312-R335 HydrophobicContact CG2-CG 4.38Å; R335-P361 WeakPolarHBondContact O-CA 3.43Å; R335-S362 CarbonylContact C-O 3.55Å; R335-S362 WeakPolarHBondContact CA-O 3.44Å; R335-S362 WeakPolarHBondContact CB-O 3.45Å; R335-S362 PolarHBondContact O-N 3.42Å; R335-Y394 HydrophobicContact CB-CD1 3.94Å; R335-Y394 HydrophobicContact CB-CE1 4.11Å; R335-Y394 PolarHBondContact NH1-OH 3.39Å
336	V	98.6	Very high	97.8	Very high	40 Å²	40	31.7 Å²	31.7	24%	0.242	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.3	-179.6	-60.7	0	0	0	0	110.8	P329 H331 Y334 G360	P329-V336 CarbonylContact C-O 3.45Å; P329-V336 WeakPolarHBondContact CA-O 3.43Å; P329-V336 VanDerWaalsContact CB-O 3.29Å; P329-V336 WeakPolarHBondContact CB-O 3.22Å; H331-V336 HydrophobicContact CB-CG2 4.13Å; Y334-V336 PolarHBondContact O-N 3.1Å; V336-G360 VanDerWaalsContact CA-O 3.31Å; V336-G360 WeakPolarHBondContact CA-O 3.48Å
337	N	98.3	Very high	97.6	Very high	44 Å²	44	32.3 Å²	32.3	24%	0.235	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.3	54	174.4	-172.7	40.9	0	0	0	113.1	A330 T339 Q356 W358 P359 G360	A330-N337 PolarHBondContact N-O 3.02Å; A330-N337 PolarHBondContact O-ND2 3.2Å; N337-T339 PolarHBondContact O-N 2.78Å; N337-T339 VanDerWaalsContact O-N 3.14Å; N337-T339 PolarHBondContact O-OG1 2.8Å; N337-Q356 WeakPolarHBondContact OD1-CG 3.37Å; N337-Q356 PolarHBondContact OD1-NE2 2.87Å; N337-W358 CarbonylContact C-O 3.49Å; N337-W358 VanDerWaalsContact CA-O 3.26Å; N337-W358 WeakPolarHBondContact CA-O 3.42Å; N337-P359 PolarHBondContact N-O 3.4Å; N337-G360 PolarHBondContact N-O 3.47Å
338	L	98.8	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	120.7	174.4	-167.5	78.5	0	0	0	109.6	N328 P329 L357 W358 S362 Y387	N328-L338 VanDerWaalsContact C-CD1 3.46Å; N328-L338 WeakPolarHBondContact O-CA 3.22Å; P329-L338 HydrophobicContact CG-CD1 4.19Å; L338-L357 HydrophobicContact CB-CB 4.47Å; L338-L357 HydrophobicContact CD2-CB 4.05Å; L338-L357 HydrophobicContact CD2-CD1 4.05Å; L338-L357 HydrophobicContact CG-CB 4.38Å; L338-L357 HydrophobicContact CG-CD1 4.44Å; L338-L357 PolarHBondContact O-N 3.31Å; L338-W358 HydrophobicContact CB-CB 4.19Å; L338-W358 PolarHBondContact N-O 2.86Å; L338-W358 PolarHBondContact O-N 3.4Å; L338-S362 PolarHBondContact N-OG 3.42Å; L338-Y387 HydrophobicContact CD2-CD1 3.92Å; L338-Y387 HydrophobicContact CD2-CD2 3.24Å; L338-Y387 HydrophobicContact CD2-CE2 3.89Å; L338-Y387 HydrophobicContact CD2-CG 3.24Å
339	T	98.8	Very high	97.2	Very high	5 Å²	5	43 Å²	43	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.3	-169.9	-59.9	0	0	0	0	110.2	S327 N328 N337 R341 R354 V355	S327-T339 WeakPolarHBondContact CA-O 3.34Å; N328-T339 PolarHBondContact N-O 3.47Å; N328-T339 PolarHBondContact O-N 3.47Å; N337-T339 PolarHBondContact O-N 2.78Å; N337-T339 VanDerWaalsContact O-N 3.14Å; N337-T339 PolarHBondContact O-OG1 2.8Å; T339-R341 HydrophobicContact CG2-CG 4.2Å; T339-R354 HydrophobicContact CG2-CB 3.74Å; T339-R354 HydrophobicContact CG2-CG 4.37Å; T339-V355 CarbonylContact C-O 3.58Å; T339-V355 WeakPolarHBondContact CA-O 3.37Å
340	L	98.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.1	166.2	-177.6	74.9	0	0	0	110.1	P50 F325 F326 V355 L357 L367 L383 V385 I403	P50-L340 HydrophobicContact CB-CD2 4.3Å; F325-L340 HydrophobicContact CB-CD1 4.29Å; F325-L340 HydrophobicContact CD1-CD1 4.2Å; F325-L340 HydrophobicContact CD1-CD2 4.26Å; F325-L340 HydrophobicContact CD1-CG 4.39Å; F326-L340 WeakPolarHBondContact O-CA 3.37Å; L340-V355 HydrophobicContact CB-CB 4.23Å; L340-V355 PolarHBondContact N-O 3.37Å; L340-V355 PolarHBondContact O-N 3.44Å; L340-V355 VanDerWaalsContact O-N 3.08Å; L340-L357 HydrophobicContact CB-CD1 4.3Å; L340-L357 HydrophobicContact CB-CD2 4.41Å; L340-L357 HydrophobicContact CB-CG 4.34Å; L340-L367 HydrophobicContact CD1-CD2 3.68Å; L340-L383 HydrophobicContact CD1-CD2 3.85Å; L340-L383 HydrophobicContact CD2-CD2 3.63Å; L340-L383 HydrophobicContact CG-CD2 4.4Å; L340-V385 HydrophobicContact CD1-CG2 4.44Å; L340-I403 HydrophobicContact CD2-CD1 3.61Å; L340-I403 HydrophobicContact CD2-CG2 4.44Å
341	R	98.3	Very high	97	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.9	174.5	-65	177.2	-91.5	-158.6	-2.6	109.6	E306 L307 V308 F325 F326 N328 T339 W350 R354	E306-R341 PolarHBondContact O-NH1 3.46Å; L307-R341 VanDerWaalsContact CD2-CZ 3.48Å; V308-R341 PolarHBondContact O-NH2 3.2Å; F325-R341 WeakPolarHBondContact CA-O 3.14Å; F326-R341 PolarHBondContact N-O 2.56Å; F326-R341 PolarHBondContact O-N 3.49Å; N328-R341 PolarHBondContact OD1-NH2 2.78Å; T339-R341 HydrophobicContact CG2-CG 4.2Å; R341-W350 HydrophobicContact CB-CD2 4.38Å; R341-W350 HydrophobicContact CB-CE3 3.59Å; R341-W350 HydrophobicContact CB-CZ3 4.03Å; R341-R354 HydrophobicContact CG-CG 4.31Å
342	W	97.4	Very high	96.9	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.3	175.3	59.9	99.4	0	0	0	113.2	P50 I323 V324 F325 F344 W350 Q351 E353 V355	P50-W342 HydrophobicContact CB-CZ3 4.33Å; P50-W342 HydrophobicContact CG-CD2 3.87Å; P50-W342 HydrophobicContact CG-CE3 3.79Å; P50-W342 HydrophobicContact CG-CH2 4.06Å; P50-W342 HydrophobicContact CG-CZ2 4.11Å; P50-W342 HydrophobicContact CG-CZ3 3.9Å; I323-W342 HydrophobicContact CG2-CB 4.24Å; V324-W342 CarbonylContact O-C 3.5Å; V324-W342 WeakPolarHBondContact O-CA 3.21Å; V324-W342 WeakPolarHBondContact O-CB 3.27Å; F325-W342 HydrophobicContact CD1-CB 3.68Å; F325-W342 HydrophobicContact CE1-CB 3.69Å; F325-W342 HydrophobicContact CE1-CG 4.24Å; F325-W342 HydrophobicContact CG-CB 4.46Å; F325-W342 HydrophobicContact CZ-CB 4.48Å; W342-F344 AromaticContact CD1-CE1 3.69Å; W342-F344 AromaticContact CD1-CZ 3.58Å; W342-F344 AromaticContact NE1-CZ 3.69Å; W342-W350 VanDerWaalsContact C-CE3 3.45Å; W342-Q351 VanDerWaalsContact CD1-CG 3.48Å; W342-Q351 HydrophobicContact CG-CG 4.32Å; W342-Q351 HydrophobicContact CZ2-CB 4.35Å; W342-Q351 VanDerWaalsContact NE1-CG 3.29Å; W342-Q351 PolarHBondContact O-N 3.41Å; W342-E353 HydrophobicContact CH2-CB 3.78Å; W342-E353 WeakPolarHBondContact CH2-O 3.47Å; W342-E353 HydrophobicContact CZ2-CB 3.75Å; W342-V355 HydrophobicContact CH2-CG2 4.38Å; W342-V355 HydrophobicContact CZ3-CG2 4.02Å
343	S	97.1	Very high	96.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.2	-177.8	147.7	0	0	0	0	110.6	V324 S345 G347 F349	V324-S343 PolarHBondContact N-O 3.2Å; V324-S343 PolarHBondContact O-N 2.96Å; S343-S345 PolarHBondContact OG-N 2.97Å; S343-S345 PolarHBondContact OG-OG 2.87Å; S343-G347 WeakPolarHBondContact OG-CA 3.22Å; S343-G347 PolarHBondContact OG-N 2.54Å; S343-F349 WeakPolarHBondContact CB-O 3.31Å; S343-F349 PolarHBondContact OG-O 3.44Å
344	F	95.2	Very high	96.7	Very high	54 Å²	54	57.1 Å²	57.1	24%	0.237	27%	0.267	C	S	.	.	S	Bend	trans	-97.1	3.1	169.7	-55.3	-39.2	0	0	0	113.4	F45 V48 I323 W342 Q351	F45-F344 HydrophobicContact CB-CD1 3.73Å; F45-F344 HydrophobicContact CB-CD2 4.1Å; F45-F344 HydrophobicContact CB-CE1 3.91Å; F45-F344 HydrophobicContact CB-CE2 4.25Å; F45-F344 HydrophobicContact CB-CG 3.86Å; F45-F344 HydrophobicContact CB-CZ 4.19Å; F45-F344 HydrophobicContact CD1-CD1 4.31Å; F45-F344 HydrophobicContact CD2-CB 3.6Å; F45-F344 AromaticContact CD2-CD1 3.7Å; F45-F344 HydrophobicContact CD2-CD1 3.7Å; F45-F344 AromaticContact CD2-CG 3.74Å; F45-F344 HydrophobicContact CD2-CG 3.74Å; F45-F344 HydrophobicContact CE2-CB 4.1Å; F45-F344 HydrophobicContact CE2-CD1 4.32Å; F45-F344 HydrophobicContact CG-CB 4.37Å; F45-F344 AromaticContact CG-CD1 3.66Å; F45-F344 HydrophobicContact CG-CD1 3.66Å; F45-F344 HydrophobicContact CG-CE1 4.17Å; F45-F344 HydrophobicContact CG-CG 4.01Å; F45-F344 VanDerWaalsContact O-CZ 3.26Å; F45-F344 WeakPolarHBondContact O-CZ 3.42Å; V48-F344 HydrophobicContact CB-CE1 3.88Å; V48-F344 HydrophobicContact CB-CZ 3.72Å; V48-F344 HydrophobicContact CG1-CE1 3.95Å; V48-F344 HydrophobicContact CG1-CZ 3.98Å; V48-F344 HydrophobicContact CG2-CE1 3.93Å; V48-F344 HydrophobicContact CG2-CZ 4.21Å; I323-F344 HydrophobicContact CG1-CD1 4.3Å; I323-F344 HydrophobicContact CG1-CE1 4.4Å; I323-F344 HydrophobicContact CG2-CD1 4.31Å; I323-F344 HydrophobicContact CG2-CE1 4.18Å; W342-F344 AromaticContact CD1-CE1 3.69Å; W342-F344 AromaticContact CD1-CZ 3.58Å; W342-F344 AromaticContact NE1-CZ 3.69Å; F344-Q351 HydrophobicContact CD2-CG 4.16Å; F344-Q351 HydrophobicContact CE2-CG 3.67Å; F344-Q351 HydrophobicContact CZ-CG 4.04Å
345	S	94.8	Very high	96.7	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	25%	0.248	S	C	.	.	S	Bend	trans	-122.2	38	-169.8	63	0	0	0	0	111.4	S343 G347 T348 F349	S343-S345 PolarHBondContact OG-N 2.97Å; S343-S345 PolarHBondContact OG-OG 2.87Å; S345-G347 PolarHBondContact O-N 2.87Å; S345-G347 VanDerWaalsContact O-N 3.11Å; S345-T348 VanDerWaalsContact CB-OG1 3.27Å; S345-T348 WeakPolarHBondContact CB-OG1 3.36Å; S345-T348 WeakPolarHBondContact O-CB 3.43Å; S345-T348 WeakPolarHBondContact O-CG2 3.25Å; S345-T348 PolarHBondContact O-N 2.92Å; S345-T348 PolarHBondContact O-OG1 2.8Å; S345-T348 PolarHBondContact OG-OG1 3.49Å; S345-T348 VanDerWaalsContact OG-OG1 3.08Å; S345-F349 PolarHBondContact OG-N 2.92Å; S345-F349 PolarHBondContact OG-O 2.82Å; S345-F349 VanDerWaalsContact OG-O 3.08Å
346	N	93.7	Very high	96.6	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.3	-179.6	-62.5	-16.6	0	0	0	114.9	L264	L264-N346 HydrophobicContact CD1-CB 3.82Å; L264-N346 HydrophobicContact CD2-CB 3.78Å; L264-N346 HydrophobicContact CG-CB 4.42Å
347	G	94	Very high	96.6	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	15.4	-179.6	0	0	0	0	0	114.1	S343 S345	S343-G347 WeakPolarHBondContact OG-CA 3.22Å; S343-G347 PolarHBondContact OG-N 2.54Å; S345-G347 PolarHBondContact O-N 2.87Å; S345-G347 VanDerWaalsContact O-N 3.11Å
348	T	93.9	Very high	96.6	Very high	89 Å²	89	54 Å²	54	55%	0.546	26%	0.255	S	S	.	.	S	Bend	trans	-90	-28.5	178.9	58.5	0	0	0	0	113.8	S345	S345-T348 VanDerWaalsContact CB-OG1 3.27Å; S345-T348 WeakPolarHBondContact CB-OG1 3.36Å; S345-T348 WeakPolarHBondContact O-CB 3.43Å; S345-T348 WeakPolarHBondContact O-CG2 3.25Å; S345-T348 PolarHBondContact O-N 2.92Å; S345-T348 PolarHBondContact O-OG1 2.8Å; S345-T348 PolarHBondContact OG-OG1 3.49Å; S345-T348 VanDerWaalsContact OG-OG1 3.08Å
349	F	95.4	Very high	96.6	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.592	28%	0.28	S	S	*	.	S	Bend	trans	-141.5	136.5	175.3	-62.2	-78.7	0	0	0	110.3	S343 S345	S343-F349 WeakPolarHBondContact CB-O 3.31Å; S343-F349 PolarHBondContact OG-O 3.44Å; S345-F349 PolarHBondContact OG-N 2.92Å; S345-F349 PolarHBondContact OG-O 2.82Å; S345-F349 VanDerWaalsContact OG-O 3.08Å
350	W	97.5	Very high	96.6	Very high	21 Å²	21	58.4 Å²	58.4	8%	0.08	29%	0.288	C	S	.	.			trans	-102	147.4	-177.8	-61	86.7	0	0	0	111.1	D304 L307 V324 F326 R341 W342	D304-W350 PolarHBondContact OD2-NE1 2.82Å; L307-W350 HydrophobicContact CD1-CH2 4.35Å; L307-W350 HydrophobicContact CD1-CZ2 3.6Å; L307-W350 HydrophobicContact CD2-CD2 3.88Å; L307-W350 HydrophobicContact CD2-CE3 4.4Å; L307-W350 HydrophobicContact CD2-CG 4.35Å; L307-W350 HydrophobicContact CD2-CH2 4.31Å; L307-W350 HydrophobicContact CD2-CZ2 3.79Å; L307-W350 HydrophobicContact CG-CZ2 3.94Å; V324-W350 HydrophobicContact CG1-CH2 3.93Å; F326-W350 HydrophobicContact CB-CH2 3.41Å; F326-W350 VanDerWaalsContact CB-CH2 3.41Å; F326-W350 HydrophobicContact CB-CZ2 4.34Å; F326-W350 HydrophobicContact CB-CZ3 3.58Å; F326-W350 HydrophobicContact CG-CH2 4.28Å; R341-W350 HydrophobicContact CB-CD2 4.38Å; R341-W350 HydrophobicContact CB-CE3 3.59Å; R341-W350 HydrophobicContact CB-CZ3 4.03Å; W342-W350 VanDerWaalsContact C-CE3 3.45Å
351	Q	96.8	Very high	96.6	Very high	58 Å²	58	59.8 Å²	59.8	27%	0.271	30%	0.296	S	S	.	.			trans	-64.2	151.2	174.8	-61.6	-48.5	-68.6	0	0	111	W342 F344 E353	W342-Q351 VanDerWaalsContact CD1-CG 3.48Å; W342-Q351 HydrophobicContact CG-CG 4.32Å; W342-Q351 HydrophobicContact CZ2-CB 4.35Å; W342-Q351 VanDerWaalsContact NE1-CG 3.29Å; W342-Q351 PolarHBondContact O-N 3.41Å; F344-Q351 HydrophobicContact CD2-CG 4.16Å; F344-Q351 HydrophobicContact CE2-CG 3.67Å; F344-Q351 HydrophobicContact CZ-CG 4.04Å; Q351-E353 VanDerWaalsContact C-N 3.33Å
352	K	95.1	Very high	96.6	Very high	187 Å²	187	59.7 Å²	59.7	81%	0.813	30%	0.296	S	S	*	.	S	Bend	trans	-69	-38.3	179.8	-174.3	-178.7	178.1	-175.9	0	110.7
353	E	95	Very high	96.6	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	29%	0.294	S	S	.	.			trans	-64.6	143.2	172.8	-64.6	70.7	-155.9	0	0	110.4	W342 Q351	W342-E353 HydrophobicContact CH2-CB 3.78Å; W342-E353 WeakPolarHBondContact CH2-O 3.47Å; W342-E353 HydrophobicContact CZ2-CB 3.75Å; Q351-E353 VanDerWaalsContact C-N 3.33Å
354	R	96.2	Very high	96.7	Very high	137 Å²	137	59.8 Å²	59.8	52%	0.517	30%	0.296	S	S	.	.			trans	-144	153.1	-179.5	-53.8	179.5	-174.2	179.9	-2.2	108.6	T339 R341	T339-R354 HydrophobicContact CG2-CB 3.74Å; T339-R354 HydrophobicContact CG2-CG 4.37Å; R341-R354 HydrophobicContact CG-CG 4.31Å
355	V	97.7	Very high	96.9	Very high	25 Å²	25	57.4 Å²	57.4	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.7	170.6	-175	0	0	0	0	108.5	P50 V52 T339 L340 W342 L357	P50-V355 HydrophobicContact CB-CG2 4.05Å; P50-V355 WeakPolarHBondContact O-CG2 3.34Å; V52-V355 HydrophobicContact CG2-CG1 3.86Å; T339-V355 CarbonylContact C-O 3.58Å; T339-V355 WeakPolarHBondContact CA-O 3.37Å; L340-V355 HydrophobicContact CB-CB 4.23Å; L340-V355 PolarHBondContact N-O 3.37Å; L340-V355 PolarHBondContact O-N 3.44Å; L340-V355 VanDerWaalsContact O-N 3.08Å; W342-V355 HydrophobicContact CH2-CG2 4.38Å; W342-V355 HydrophobicContact CZ3-CG2 4.02Å; V355-L357 HydrophobicContact CB-CD2 4.42Å; V355-L357 HydrophobicContact CG1-CD2 3.77Å; V355-L357 PolarHBondContact O-N 3.29Å
356	Q	98	Very high	97.1	Very high	113 Å²	113	55.7 Å²	55.7	53%	0.528	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.6	169.7	-179.4	-177.6	79.2	0	0	108.3	N337	N337-Q356 WeakPolarHBondContact OD1-CG 3.37Å; N337-Q356 PolarHBondContact OD1-NE2 2.87Å
357	L	98.5	Very high	97.3	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-38	179.9	-58.1	-176.7	0	0	0	111.2	V52 L338 L340 V355 V385 V401 I403	V52-L357 HydrophobicContact CG2-CD2 3.92Å; L338-L357 HydrophobicContact CB-CB 4.47Å; L338-L357 HydrophobicContact CD2-CB 4.05Å; L338-L357 HydrophobicContact CD2-CD1 4.05Å; L338-L357 HydrophobicContact CG-CB 4.38Å; L338-L357 HydrophobicContact CG-CD1 4.44Å; L338-L357 PolarHBondContact O-N 3.31Å; L340-L357 HydrophobicContact CB-CD1 4.3Å; L340-L357 HydrophobicContact CB-CD2 4.41Å; L340-L357 HydrophobicContact CB-CG 4.34Å; V355-L357 HydrophobicContact CB-CD2 4.42Å; V355-L357 HydrophobicContact CG1-CD2 3.77Å; V355-L357 PolarHBondContact O-N 3.29Å; L357-V385 HydrophobicContact CD1-CB 4.07Å; L357-V385 HydrophobicContact CD1-CG1 3.84Å; L357-V385 HydrophobicContact CD1-CG2 4.17Å; L357-V401 HydrophobicContact CD1-CG2 4.2Å; L357-V401 HydrophobicContact CD2-CG2 4.12Å; L357-I403 HydrophobicContact CD2-CD1 3.91Å
358	W	98.5	Very high	97.4	Very high	53 Å²	53	53 Å²	53	20%	0.201	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	122.4	177.1	-172	-111	0	0	0	111.5	N337 L338 P361 Y387 K389 G390 L391	N337-W358 CarbonylContact C-O 3.49Å; N337-W358 VanDerWaalsContact CA-O 3.26Å; N337-W358 WeakPolarHBondContact CA-O 3.42Å; L338-W358 HydrophobicContact CB-CB 4.19Å; L338-W358 PolarHBondContact N-O 2.86Å; L338-W358 PolarHBondContact O-N 3.4Å; W358-P361 PolarHBondContact NE1-O 2.71Å; W358-Y387 HydrophobicContact CB-CE2 4.07Å; W358-K389 HydrophobicContact CD2-CB 4.26Å; W358-K389 HydrophobicContact CD2-CD 3.84Å; W358-K389 HydrophobicContact CE3-CD 3.93Å; W358-K389 VanDerWaalsContact CE3-NZ 3.31Å; W358-K389 HydrophobicContact CG-CB 4.04Å; W358-K389 HydrophobicContact CG-CD 4.26Å; W358-K389 HydrophobicContact CZ2-CD 4.47Å; W358-K389 HydrophobicContact CZ3-CD 4.31Å; W358-G390 WeakPolarHBondContact CZ2-O 3.09Å; W358-G390 PolarHBondContact NE1-O 2.89Å; W358-L391 HydrophobicContact CZ2-CD2 4.39Å
359	P	98.2	Very high	97.5	Very high	79 Å²	79	49.8 Å²	49.8	51%	0.513	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-27.9	-178.4	27.6	-33.7	0	0	0	113.5	N337	N337-P359 PolarHBondContact N-O 3.4Å
360	G	98.4	Very high	97.3	Very high	19 Å²	19	44.4 Å²	44.4	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-163.2	-171.9	0	0	0	0	0	114.5	V336 N337 S362	V336-G360 VanDerWaalsContact CA-O 3.31Å; V336-G360 WeakPolarHBondContact CA-O 3.48Å; N337-G360 PolarHBondContact N-O 3.47Å; G360-S362 PolarHBondContact O-N 3.23Å; G360-S362 VanDerWaalsContact O-N 3.15Å; G360-S362 PolarHBondContact O-OG 2.81Å; G360-S362 VanDerWaalsContact O-OG 3.11Å
361	P	98.6	Very high	96.8	Very high	28 Å²	28	46 Å²	46	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	119.6	173.2	-28.6	35.9	0	0	0	111.6	R335 W358 K389 G390	R335-P361 WeakPolarHBondContact O-CA 3.43Å; W358-P361 PolarHBondContact NE1-O 2.71Å; P361-K389 WeakPolarHBondContact O-CA 3.38Å; P361-G390 WeakPolarHBondContact CD-O 3.24Å; P361-G390 PolarHBondContact O-N 3.42Å
362	S	98.7	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141.7	-178.8	40.1	0	0	0	0	111	P329 R335 L338 G360 E388 Y394	P329-S362 WeakPolarHBondContact CG-O 3.25Å; R335-S362 CarbonylContact C-O 3.55Å; R335-S362 WeakPolarHBondContact CA-O 3.44Å; R335-S362 WeakPolarHBondContact CB-O 3.45Å; R335-S362 PolarHBondContact O-N 3.42Å; L338-S362 PolarHBondContact N-OG 3.42Å; G360-S362 PolarHBondContact O-N 3.23Å; G360-S362 VanDerWaalsContact O-N 3.15Å; G360-S362 PolarHBondContact O-OG 2.81Å; G360-S362 VanDerWaalsContact O-OG 3.11Å; S362-E388 VanDerWaalsContact CA-O 3.26Å; S362-E388 WeakPolarHBondContact CA-O 3.34Å; S362-Y394 VanDerWaalsContact C-CB 3.49Å
363	G	98.3	Very high	93.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-123.8	-171.6	0	0	0	0	0	111.8	P329 E388	P329-G363 WeakPolarHBondContact CD-O 3.14Å; P329-G363 WeakPolarHBondContact CG-O 3.49Å; G363-E388 PolarHBondContact N-O 3.44Å; G363-E388 VanDerWaalsContact N-O 3.1Å
364	Y	98.7	Very high	92	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.6	-173.6	-73.5	33.4	0	0	0	109.5	I73 P74 P194 E258 R274 V312 A313 Y387 E388	I73-Y364 HydrophobicContact CD1-CD2 3.49Å; I73-Y364 VanDerWaalsContact CD1-CD2 3.49Å; I73-Y364 HydrophobicContact CD1-CE2 3.38Å; I73-Y364 HydrophobicContact CD1-CG 4.29Å; I73-Y364 HydrophobicContact CG2-CD2 4.35Å; P74-Y364 WeakPolarHBondContact CG-O 3.16Å; P194-Y364 HydrophobicContact CG-CD2 3.76Å; P194-Y364 HydrophobicContact CG-CE2 3.68Å; E258-Y364 VanDerWaalsContact CD-OH 3.25Å; E258-Y364 VanDerWaalsContact OE1-CE2 3.3Å; E258-Y364 WeakPolarHBondContact OE1-CE2 3.26Å; E258-Y364 PolarHBondContact OE1-OH 3.49Å; E258-Y364 PolarHBondContact OE2-OH 3.37Å; R274-Y364 PolarHBondContact NH1-OH 3.07Å; V312-Y364 HydrophobicContact CG2-CD1 3.54Å; V312-Y364 HydrophobicContact CG2-CE1 3.7Å; A313-Y364 HydrophobicContact CB-CD1 4.17Å; A313-Y364 HydrophobicContact CB-CD2 3.39Å; A313-Y364 HydrophobicContact CB-CE1 4.25Å; A313-Y364 HydrophobicContact CB-CE2 3.47Å; A313-Y364 VanDerWaalsContact CB-CE2 3.47Å; A313-Y364 HydrophobicContact CB-CG 3.75Å; Y364-Y387 VanDerWaalsContact O-CA 3.29Å; Y364-Y387 WeakPolarHBondContact O-CA 3.28Å; Y364-E388 PolarHBondContact N-OE2 3.48Å; Y364-E388 PolarHBondContact O-N 3.38Å
365	S	98.7	Very high	90.2	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.1	173	60.6	0	0	0	0	112	A314 G315 S327 L386	A314-S365 CarbonylContact C-O 3.19Å; G315-S365 WeakPolarHBondContact CA-O 3.29Å; G315-S365 PolarHBondContact N-O 3.36Å; G315-S365 PolarHBondContact N-OG 2.95Å; S327-S365 PolarHBondContact O-OG 3.14Å; S327-S365 WeakPolarHBondContact OG-CB 3.15Å; S327-S365 PolarHBondContact OG-OG 3.43Å; S365-L386 CarbonylContact C-O 3.59Å; S365-L386 WeakPolarHBondContact CA-O 3.23Å
366	S	98.5	Very high	88.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.3	174.9	-178.6	0	0	0	0	109.1	P74 I76 V385 L386	P74-S366 VanDerWaalsContact O-CB 3.27Å; P74-S366 WeakPolarHBondContact O-CB 3.13Å; I76-S366 WeakPolarHBondContact CG2-O 3.47Å; I76-S366 PolarHBondContact N-OG 3.3Å; S366-V385 WeakPolarHBondContact O-CA 3.34Å; S366-L386 PolarHBondContact N-O 3.21Å; S366-L386 PolarHBondContact O-N 2.97Å
367	L	98.1	Very high	86.3	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154	177	-51.6	94.8	0	0	0	111.6	G315 L317 F325 S327 L340 L383 F384 V385	G315-L367 VanDerWaalsContact O-CD1 3.25Å; G315-L367 WeakPolarHBondContact O-CD1 3.25Å; L317-L367 HydrophobicContact CD2-CB 3.43Å; L317-L367 VanDerWaalsContact CD2-CB 3.43Å; L317-L367 HydrophobicContact CG-CB 4.05Å; F325-L367 HydrophobicContact CB-CD2 4.1Å; S327-L367 WeakPolarHBondContact OG-CD1 3.45Å; L340-L367 HydrophobicContact CD1-CD2 3.68Å; L367-L383 HydrophobicContact CB-CD1 4.28Å; L367-L383 HydrophobicContact CD2-CD1 3.91Å; L367-L383 HydrophobicContact CD2-CD2 4.02Å; L367-L383 HydrophobicContact CD2-CG 4.25Å; L367-F384 VanDerWaalsContact CA-O 3.23Å; L367-F384 WeakPolarHBondContact CA-O 3.41Å; L367-V385 HydrophobicContact CD2-CG2 3.72Å; L367-V385 HydrophobicContact CG-CG1 4.39Å; L367-V385 HydrophobicContact CG-CG2 3.99Å
368	T	97.5	Very high	84.6	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.7	161.2	-168.5	0	0	0	0	109.3	I76 A78 L84 F384	I76-T368 HydrophobicContact CB-CG2 4.49Å; I76-T368 HydrophobicContact CD1-CG2 4.2Å; I76-T368 HydrophobicContact CG1-CG2 3.85Å; I76-T368 HydrophobicContact CG2-CG2 4.11Å; A78-T368 HydrophobicContact CB-CG2 4.2Å; A78-T368 WeakPolarHBondContact CB-OG1 3.07Å; A78-T368 PolarHBondContact N-OG1 3.19Å; L84-T368 HydrophobicContact CD2-CG2 3.94Å; T368-F384 HydrophobicContact CG2-CB 3.98Å; T368-F384 HydrophobicContact CG2-CD2 4.17Å; T368-F384 HydrophobicContact CG2-CG 4.45Å; T368-F384 PolarHBondContact N-O 3.28Å; T368-F384 PolarHBondContact O-N 3.08Å
369	A	95	Very high	83.1	Confident	22 Å²	22	53.2 Å²	53.2	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151	175.5	0	0	0	0	0	111.4	L317 E371 Q382 L383	L317-A369 HydrophobicContact CD1-CB 4.4Å; L317-A369 HydrophobicContact CD2-CB 4.26Å; A369-E371 HydrophobicContact CB-CG 4.36Å; A369-Q382 CarbonylContact C-O 3.52Å; A369-Q382 VanDerWaalsContact CA-O 3.26Å; A369-Q382 WeakPolarHBondContact CA-O 3.42Å; A369-L383 HydrophobicContact CB-CD1 4.46Å
370	L	92.2	Very high	81.8	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.1	164.4	-71.6	177.3	0	0	0	107.6	A78 L84 Q111 P381 Q382 F384	A78-L370 HydrophobicContact CB-CD2 3.51Å; A78-L370 HydrophobicContact CB-CG 4.18Å; L84-L370 HydrophobicContact CD2-CD1 4.31Å; L84-L370 HydrophobicContact CD2-CG 4.46Å; Q111-L370 HydrophobicContact CG-CD1 3.98Å; L370-P381 WeakPolarHBondContact O-CA 3.23Å; L370-Q382 PolarHBondContact N-O 2.84Å; L370-Q382 PolarHBondContact O-N 2.95Å; L370-F384 HydrophobicContact CB-CE2 4.22Å; L370-F384 HydrophobicContact CD1-CE2 3.72Å; L370-F384 HydrophobicContact CD1-CZ 4.05Å; L370-F384 HydrophobicContact CG-CE2 3.84Å
371	E	85.8	Confident	81.1	Confident	55 Å²	55	51.6 Å²	51.6	26%	0.257	29%	0.287	S	S	.	.			trans	-98.8	-19.5	-177.3	-62.6	-174.2	-124	0	0	113.1	T319 S320 A369 P381	T319-E371 VanDerWaalsContact CA-OE1 3.22Å; T319-E371 WeakPolarHBondContact CA-OE1 3.43Å; S320-E371 VanDerWaalsContact CB-OE2 3.27Å; S320-E371 WeakPolarHBondContact CB-OE2 3.41Å; S320-E371 VanDerWaalsContact N-CD 3.29Å; S320-E371 PolarHBondContact N-OE1 2.93Å; S320-E371 PolarHBondContact N-OE2 2.86Å; S320-E371 PolarHBondContact OG-OE2 2.91Å; A369-E371 HydrophobicContact CB-CG 4.36Å; E371-P381 HydrophobicContact CG-CB 4.19Å
372	N	73.5	Confident	80.8	Confident	145 Å²	145	51.5 Å²	51.5	78%	0.775	28%	0.284	S	S	*	.	S	Bend	trans	-119.2	141.4	177.7	-69.1	-39.6	0	0	0	110
373	S	58.1	Low	80.7	Confident	21 Å²	21	51.5 Å²	51.5	15%	0.147	28%	0.284	C	S	.	.			trans	-77.3	138.6	168.5	178.7	0	0	0	0	110.5	D375 G376 K377	S373-D375 PolarHBondContact O-N 2.79Å; S373-D375 PolarHBondContact OG-N 2.83Å; S373-G376 PolarHBondContact O-N 2.96Å; S373-K377 WeakPolarHBondContact CB-O 3.2Å; S373-K377 PolarHBondContact OG-O 3.04Å
374	T	56.1	Low	80.7	Confident	85 Å²	85	51.5 Å²	51.5	52%	0.521	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	171.7	49.2	0	0	0	0	113.4	R81	R81-T374 WeakPolarHBondContact O-CG2 3.38Å
375	D	58.2	Low	80.7	Confident	131 Å²	131	50.9 Å²	50.9	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	12.5	-171.6	-66.4	4.9	0	0	0	112.8	S373 K377	S373-D375 PolarHBondContact O-N 2.79Å; S373-D375 PolarHBondContact OG-N 2.83Å; D375-K377 PolarHBondContact O-N 2.71Å
376	G	55.2	Low	80.7	Confident	74 Å²	74	50.7 Å²	50.7	76%	0.763	28%	0.28	S	S	*	.	S	Bend	trans	70.3	-3.9	-178.9	0	0	0	0	0	115	S373 K378	S373-G376 PolarHBondContact O-N 2.96Å; G376-K378 PolarHBondContact O-N 3.31Å
377	K	58.3	Low	80.8	Confident	161 Å²	161	50.7 Å²	50.7	70%	0.7	28%	0.28	S	S	*	.	S	Bend	trans	-82.4	109.7	170.5	-69.3	-176.8	-178.5	176.4	0	109.1	S373 D375 Q379	S373-K377 WeakPolarHBondContact CB-O 3.2Å; S373-K377 PolarHBondContact OG-O 3.04Å; D375-K377 PolarHBondContact O-N 2.71Å; K377-Q379 PolarHBondContact O-N 2.61Å
378	K	61.3	Low	80.8	Confident	164 Å²	164	50.5 Å²	50.5	71%	0.713	28%	0.279	S	S	*	.			trans	-47.7	114.5	173.8	-71.7	-178.5	164.6	-151.1	0	110.6	E42 G376	E42-K378 WeakPolarHBondContact OE1-CD 3.27Å; E42-K378 WeakPolarHBondContact OE2-CD 3.24Å; E42-K378 WeakPolarHBondContact OE2-CE 3.24Å; E42-K378 IonicContact OE2-NZ 2.61Å; E42-K378 PolarHBondContact OE2-NZ 3.32Å; G376-K378 PolarHBondContact O-N 3.31Å
379	Q	67.3	Low	80.8	Confident	74 Å²	74	50.7 Å²	50.7	35%	0.346	28%	0.279	S	S	.	.			trans	-108.6	144.6	170.2	-77.3	-169.7	-8.6	0	0	107.2	Q111 K377	Q111-Q379 VanDerWaalsContact NE2-OE1 3.08Å; K377-Q379 PolarHBondContact O-N 2.61Å
380	P	71.9	Confident	81	Confident	50 Å²	50	49.9 Å²	49.9	33%	0.325	27%	0.272	S	S	.	.			trans	-56.9	143.4	173.2	24.9	-32.8	0	0	0	109.4	Q382 Y406	P380-Q382 PolarHBondContact O-N 3.01Å; P380-Y406 HydrophobicContact CB-CD2 4.01Å
381	P	84.2	Confident	81.2	Confident	15 Å²	15	55.2 Å²	55.2	10%	0.097	30%	0.3	C	S	.	.			trans	-55.1	133.1	179.8	21	-32	0	0	0	110.5	L370 E371 V405 Y406	L370-P381 WeakPolarHBondContact O-CA 3.23Å; E371-P381 HydrophobicContact CG-CB 4.19Å; P381-V405 HydrophobicContact CB-CG2 4.29Å; P381-V405 HydrophobicContact CG-CB 4.1Å; P381-V405 HydrophobicContact CG-CG1 4.31Å; P381-V405 HydrophobicContact CG-CG2 4.29Å; P381-V405 WeakPolarHBondContact O-CB 3.47Å; P381-V405 VanDerWaalsContact O-CG2 3.26Å; P381-V405 WeakPolarHBondContact O-CG2 3.33Å; P381-V405 PolarHBondContact O-N 2.91Å; P381-Y406 HydrophobicContact CG-CD2 4.09Å; P381-Y406 HydrophobicContact CG-CE2 3.6Å
382	Q	92.5	Very high	81.8	Confident	25 Å²	25	59 Å²	59	12%	0.117	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.9	177	-65.3	178.6	2.7	0	0	109.4	Q111 A369 L370 P380 F384	Q111-Q382 VanDerWaalsContact OE1-CD 3.28Å; A369-Q382 CarbonylContact C-O 3.52Å; A369-Q382 VanDerWaalsContact CA-O 3.26Å; A369-Q382 WeakPolarHBondContact CA-O 3.42Å; L370-Q382 PolarHBondContact N-O 2.84Å; L370-Q382 PolarHBondContact O-N 2.95Å; P380-Q382 PolarHBondContact O-N 3.01Å; Q382-F384 HydrophobicContact CB-CE2 3.9Å; Q382-F384 HydrophobicContact CB-CZ 4.05Å
383	L	96.6	Very high	82.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.5	176.6	-178.8	74.4	0	0	0	109.4	L317 F325 L340 L367 A369 V385 I403 V405	L317-L383 HydrophobicContact CD1-CD1 4.12Å; L317-L383 HydrophobicContact CD2-CD1 3.72Å; L317-L383 HydrophobicContact CG-CD1 4.21Å; F325-L383 HydrophobicContact CB-CD1 4.48Å; F325-L383 HydrophobicContact CB-CD2 4.3Å; F325-L383 HydrophobicContact CD1-CD2 3.7Å; F325-L383 HydrophobicContact CD2-CD1 4.35Å; F325-L383 HydrophobicContact CD2-CD2 4.46Å; F325-L383 HydrophobicContact CE1-CD2 4.11Å; F325-L383 HydrophobicContact CG-CD1 4.35Å; F325-L383 HydrophobicContact CG-CD2 3.9Å; L340-L383 HydrophobicContact CD1-CD2 3.85Å; L340-L383 HydrophobicContact CD2-CD2 3.63Å; L340-L383 HydrophobicContact CG-CD2 4.4Å; L367-L383 HydrophobicContact CB-CD1 4.28Å; L367-L383 HydrophobicContact CD2-CD1 3.91Å; L367-L383 HydrophobicContact CD2-CD2 4.02Å; L367-L383 HydrophobicContact CD2-CG 4.25Å; A369-L383 HydrophobicContact CB-CD1 4.46Å; L383-V385 HydrophobicContact CD2-CG2 4.41Å; L383-V385 HydrophobicContact CG-CG2 4.45Å; L383-I403 HydrophobicContact CB-CB 4.15Å; L383-I403 HydrophobicContact CD2-CD1 4.34Å; L383-I403 PolarHBondContact N-O 3.13Å; L383-I403 PolarHBondContact O-N 2.83Å; L383-V405 HydrophobicContact CB-CG2 4.28Å
384	F	98.2	Very high	84.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.1	175.2	-57.3	-89.6	0	0	0	109.1	I76 L84 Q111 L367 T368 L370 Q382 M400 V401 K402	I76-F384 HydrophobicContact CD1-CB 3.9Å; L84-F384 HydrophobicContact CD1-CD1 3.59Å; L84-F384 HydrophobicContact CD1-CD2 4.21Å; L84-F384 HydrophobicContact CD1-CE1 3.53Å; L84-F384 HydrophobicContact CD1-CE2 4.17Å; L84-F384 HydrophobicContact CD1-CG 3.94Å; L84-F384 HydrophobicContact CD1-CZ 3.84Å; L84-F384 HydrophobicContact CD2-CD2 3.94Å; L84-F384 HydrophobicContact CD2-CE2 4.07Å; L84-F384 HydrophobicContact CD2-CG 4.29Å; Q111-F384 HydrophobicContact CB-CZ 4.19Å; Q111-F384 WeakPolarHBondContact O-CE1 3.4Å; L367-F384 VanDerWaalsContact CA-O 3.23Å; L367-F384 WeakPolarHBondContact CA-O 3.41Å; T368-F384 HydrophobicContact CG2-CB 3.98Å; T368-F384 HydrophobicContact CG2-CD2 4.17Å; T368-F384 HydrophobicContact CG2-CG 4.45Å; T368-F384 PolarHBondContact N-O 3.28Å; T368-F384 PolarHBondContact O-N 3.08Å; L370-F384 HydrophobicContact CB-CE2 4.22Å; L370-F384 HydrophobicContact CD1-CE2 3.72Å; L370-F384 HydrophobicContact CD1-CZ 4.05Å; L370-F384 HydrophobicContact CG-CE2 3.84Å; Q382-F384 HydrophobicContact CB-CE2 3.9Å; Q382-F384 HydrophobicContact CB-CZ 4.05Å; F384-M400 HydrophobicContact CD1-CE 4.48Å; F384-M400 HydrophobicContact CD1-SD 3.85Å; F384-V401 WeakPolarHBondContact CA-O 3.34Å; F384-K402 HydrophobicContact CD1-CB 4.12Å; F384-K402 HydrophobicContact CD1-CG 4.2Å; F384-K402 HydrophobicContact CE1-CB 3.96Å; F384-K402 HydrophobicContact CE1-CD 3.92Å; F384-K402 HydrophobicContact CE1-CG 3.64Å; F384-K402 HydrophobicContact CZ-CD 4.4Å; F384-K402 HydrophobicContact CZ-CG 4.22Å
385	V	98.6	Very high	86.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.3	175	-171.5	0	0	0	0	108.6	L340 L357 S366 L367 L383 Y387 M400 V401 I403	L340-V385 HydrophobicContact CD1-CG2 4.44Å; L357-V385 HydrophobicContact CD1-CB 4.07Å; L357-V385 HydrophobicContact CD1-CG1 3.84Å; L357-V385 HydrophobicContact CD1-CG2 4.17Å; S366-V385 WeakPolarHBondContact O-CA 3.34Å; L367-V385 HydrophobicContact CD2-CG2 3.72Å; L367-V385 HydrophobicContact CG-CG1 4.39Å; L367-V385 HydrophobicContact CG-CG2 3.99Å; L383-V385 HydrophobicContact CD2-CG2 4.41Å; L383-V385 HydrophobicContact CG-CG2 4.45Å; V385-Y387 HydrophobicContact CG1-CD1 4.27Å; V385-M400 CarbonylContact O-C 3.58Å; V385-M400 VanDerWaalsContact O-CA 3.29Å; V385-M400 WeakPolarHBondContact O-CA 3.24Å; V385-V401 HydrophobicContact CB-CG2 3.68Å; V385-V401 HydrophobicContact CG2-CG2 4.23Å; V385-V401 PolarHBondContact N-O 3.49Å; V385-V401 PolarHBondContact O-N 3.33Å; V385-I403 HydrophobicContact CG2-CD1 4.02Å
386	L	98.8	Very high	88.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	172.6	-171.4	76	0	0	0	108.6	L58 W59 P74 L75 I76 A86 S365 S366 I398 S399 M400	L58-L386 HydrophobicContact CD1-CD1 3.58Å; L58-L386 HydrophobicContact CG-CD1 4.28Å; W59-L386 HydrophobicContact CZ3-CD2 4.33Å; P74-L386 HydrophobicContact CB-CB 4.26Å; P74-L386 HydrophobicContact CB-CD2 3.51Å; P74-L386 HydrophobicContact CB-CG 3.6Å; L75-L386 WeakPolarHBondContact O-CD2 3.45Å; I76-L386 HydrophobicContact CB-CB 3.82Å; I76-L386 HydrophobicContact CB-CD2 4.16Å; I76-L386 HydrophobicContact CD1-CB 4.3Å; I76-L386 HydrophobicContact CG2-CB 3.85Å; A86-L386 HydrophobicContact CB-CD1 4.37Å; A86-L386 HydrophobicContact CB-CD2 3.91Å; S365-L386 CarbonylContact C-O 3.59Å; S365-L386 WeakPolarHBondContact CA-O 3.23Å; S366-L386 PolarHBondContact N-O 3.21Å; S366-L386 PolarHBondContact O-N 2.97Å; L386-I398 HydrophobicContact CD1-CG2 3.67Å; L386-I398 HydrophobicContact CD2-CG2 4.27Å; L386-I398 HydrophobicContact CG-CG2 3.76Å; L386-S399 CarbonylContact C-O 3.39Å; L386-S399 WeakPolarHBondContact CA-O 3.38Å; L386-S399 WeakPolarHBondContact CD1-O 3.3Å; L386-M400 HydrophobicContact CD1-CB 3.75Å; L386-M400 HydrophobicContact CD1-CG 4.47Å
387	Y	98.8	Very high	90.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153.3	-170.2	63.3	-84.2	0	0	0	114.4	E55 L338 W358 Y364 V385 K389 I398 S399 V401	E55-Y387 PolarHBondContact OE1-OH 2.89Å; L338-Y387 HydrophobicContact CD2-CD1 3.92Å; L338-Y387 HydrophobicContact CD2-CD2 3.24Å; L338-Y387 HydrophobicContact CD2-CE2 3.89Å; L338-Y387 HydrophobicContact CD2-CG 3.24Å; W358-Y387 HydrophobicContact CB-CE2 4.07Å; Y364-Y387 VanDerWaalsContact O-CA 3.29Å; Y364-Y387 WeakPolarHBondContact O-CA 3.28Å; V385-Y387 HydrophobicContact CG1-CD1 4.27Å; Y387-K389 HydrophobicContact CD2-CB 4.02Å; Y387-K389 HydrophobicContact CD2-CD 4.36Å; Y387-K389 HydrophobicContact CD2-CG 4.49Å; Y387-K389 HydrophobicContact CE2-CB 3.85Å; Y387-K389 HydrophobicContact CE2-CD 3.47Å; Y387-K389 VanDerWaalsContact CE2-CD 3.47Å; Y387-K389 HydrophobicContact CE2-CG 4.05Å; Y387-I398 VanDerWaalsContact O-CA 3.29Å; Y387-I398 WeakPolarHBondContact O-CA 3.27Å; Y387-S399 WeakPolarHBondContact CD1-O 3.21Å; Y387-S399 PolarHBondContact N-O 3.36Å; Y387-S399 PolarHBondContact O-N 2.9Å; Y387-V401 HydrophobicContact CE1-CB 4.44Å; Y387-V401 HydrophobicContact CE1-CG1 3.87Å; Y387-V401 HydrophobicContact CE1-CG2 3.99Å
388	E	98.8	Very high	92.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.4	172.9	-61.3	-177.9	145.7	0	0	110.8	R72 I73 P74 S362 G363 Y364 Y394 S397 I398	R72-E388 WeakPolarHBondContact CA-OE1 3.27Å; R72-E388 VanDerWaalsContact CB-OE1 3.26Å; R72-E388 WeakPolarHBondContact CB-OE1 3.24Å; R72-E388 WeakPolarHBondContact CG-OE1 3.21Å; R72-E388 IonicContact CZ-OE1 2.71Å; R72-E388 IonicContact CZ-OE2 3.09Å; R72-E388 IonicContact NE-OE1 3.66Å; R72-E388 PolarHBondContact NE-OE1 3.27Å; R72-E388 IonicContact NE-OE2 3.89Å; R72-E388 IonicContact NH2-OE1 3.45Å; R72-E388 PolarHBondContact NH2-OE1 2.83Å; R72-E388 VanDerWaalsContact NH2-OE1 3.16Å; R72-E388 IonicContact NH2-OE2 2.66Å; R72-E388 PolarHBondContact NH2-OE2 2.81Å; I73-E388 PolarHBondContact N-OE1 2.98Å; P74-E388 HydrophobicContact CG-CG 4Å; S362-E388 VanDerWaalsContact CA-O 3.26Å; S362-E388 WeakPolarHBondContact CA-O 3.34Å; G363-E388 PolarHBondContact N-O 3.44Å; G363-E388 VanDerWaalsContact N-O 3.1Å; Y364-E388 PolarHBondContact N-OE2 3.48Å; Y364-E388 PolarHBondContact O-N 3.38Å; E388-Y394 CarbonylContact C-O 3.6Å; E388-Y394 WeakPolarHBondContact CB-O 3.36Å; E388-S397 WeakPolarHBondContact CA-O 3.38Å; E388-I398 HydrophobicContact CG-CG1 4.34Å
389	K	98.6	Very high	94.5	Very high	19 Å²	19	38 Å²	38	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167	176.2	76.2	178	-149.5	165.9	0	113.7	E55 W358 P361 Y387 Y394 S397 S399	E55-K389 VanDerWaalsContact OE1-CE 3.31Å; E55-K389 WeakPolarHBondContact OE1-CE 3.47Å; E55-K389 IonicContact OE1-NZ 2.7Å; E55-K389 PolarHBondContact OE1-NZ 3.02Å; E55-K389 IonicContact OE2-NZ 2.71Å; W358-K389 HydrophobicContact CD2-CB 4.26Å; W358-K389 HydrophobicContact CD2-CD 3.84Å; W358-K389 HydrophobicContact CE3-CD 3.93Å; W358-K389 VanDerWaalsContact CE3-NZ 3.31Å; W358-K389 HydrophobicContact CG-CB 4.04Å; W358-K389 HydrophobicContact CG-CD 4.26Å; W358-K389 HydrophobicContact CZ2-CD 4.47Å; W358-K389 HydrophobicContact CZ3-CD 4.31Å; P361-K389 WeakPolarHBondContact O-CA 3.38Å; Y387-K389 HydrophobicContact CD2-CB 4.02Å; Y387-K389 HydrophobicContact CD2-CD 4.36Å; Y387-K389 HydrophobicContact CD2-CG 4.49Å; Y387-K389 HydrophobicContact CE2-CB 3.85Å; Y387-K389 HydrophobicContact CE2-CD 3.47Å; Y387-K389 VanDerWaalsContact CE2-CD 3.47Å; Y387-K389 HydrophobicContact CE2-CG 4.05Å; K389-Y394 CarbonylContact C-O 3.6Å; K389-Y394 PolarHBondContact N-O 2.99Å; K389-Y394 VanDerWaalsContact N-O 3.1Å; K389-S397 PolarHBondContact N-O 3.39Å; K389-S397 PolarHBondContact O-N 2.83Å; K389-S397 PolarHBondContact O-OG 3.05Å; K389-S399 VanDerWaalsContact CE-OG 3.31Å; K389-S399 WeakPolarHBondContact CE-OG 3.5Å
390	G	98.2	Very high	96	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	17%	0.168	C	C	.	.			trans	-174.8	-176.5	167.2	0	0	0	0	0	113.5	W358 P361 R393 E396	W358-G390 WeakPolarHBondContact CZ2-O 3.09Å; W358-G390 PolarHBondContact NE1-O 2.89Å; P361-G390 WeakPolarHBondContact CD-O 3.24Å; P361-G390 PolarHBondContact O-N 3.42Å; G390-R393 VanDerWaalsContact CA-O 3.27Å; G390-R393 WeakPolarHBondContact CA-O 3.38Å; G390-E396 VanDerWaalsContact CA-OE2 3.32Å; G390-E396 WeakPolarHBondContact CA-OE2 3.27Å
391	L	97.4	Very high	97.2	Very high	135 Å²	135	32.3 Å²	32.3	71%	0.707	15%	0.154	S	C	*	.	S	Bend	trans	-84	-44.9	175.6	-64.6	178.1	0	0	0	111.5	W358 E396	W358-L391 HydrophobicContact CZ2-CD2 4.39Å; L391-E396 PolarHBondContact N-OE2 3.03Å
392	N	97.3	Very high	97.9	Very high	135 Å²	135	32.8 Å²	32.8	72%	0.722	15%	0.154	S	C	*	.	S	Bend	trans	-111.9	-35.8	-178.8	-52.6	-77	0	0	0	112.3	E396	N392-E396 WeakPolarHBondContact CA-OE1 3.35Å; N392-E396 VanDerWaalsContact CB-OE1 3.31Å; N392-E396 WeakPolarHBondContact CB-OE1 3.4Å; N392-E396 PolarHBondContact N-OE1 2.74Å
393	R	97.4	Very high	98.1	Very high	181 Å²	181	31.6 Å²	31.6	68%	0.683	15%	0.149	S	C	*	.			trans	-133	144.2	179.1	-60.4	-176	-179.8	-146.9	-0.8	110.3	G390 T395 E396	G390-R393 VanDerWaalsContact CA-O 3.27Å; G390-R393 WeakPolarHBondContact CA-O 3.38Å; R393-T395 PolarHBondContact O-N 3.42Å; R393-E396 HydrophobicContact CB-CG 4.33Å; R393-E396 PolarHBondContact N-OE1 2.84Å; R393-E396 VanDerWaalsContact O-CG 3.27Å; R393-E396 WeakPolarHBondContact O-CG 3.14Å; R393-E396 PolarHBondContact O-N 3.3Å
394	Y	98	Very high	97.9	Very high	66 Å²	66	31.9 Å²	31.9	26%	0.259	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-66.2	-17	177	53.4	-100.8	0	0	0	113.5	R335 S362 E388 K389 E396	R335-Y394 HydrophobicContact CB-CD1 3.94Å; R335-Y394 HydrophobicContact CB-CE1 4.11Å; R335-Y394 PolarHBondContact NH1-OH 3.39Å; S362-Y394 VanDerWaalsContact C-CB 3.49Å; E388-Y394 CarbonylContact C-O 3.6Å; E388-Y394 WeakPolarHBondContact CB-O 3.36Å; K389-Y394 CarbonylContact C-O 3.6Å; K389-Y394 PolarHBondContact N-O 2.99Å; K389-Y394 VanDerWaalsContact N-O 3.1Å; Y394-E396 VanDerWaalsContact C-N 3.28Å; Y394-E396 PolarHBondContact O-N 2.82Å
395	T	97.9	Very high	97.7	Very high	19 Å²	19	32 Å²	32	12%	0.117	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-85.8	6.7	-178.7	62.1	0	0	0	0	114	S61 R72 R393	S61-T395 VanDerWaalsContact CB-O 3.31Å; S61-T395 WeakPolarHBondContact CB-O 3.42Å; S61-T395 PolarHBondContact OG-O 2.88Å; R72-T395 HydrophobicContact CG-CG2 4.3Å; R393-T395 PolarHBondContact O-N 3.42Å
396	E	98.1	Very high	97.2	Very high	61 Å²	61	33.6 Å²	33.6	29%	0.285	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-71.1	-35.8	-178	-71.2	172.4	-163.3	0	0	112	S61 G390 L391 N392 R393 Y394	S61-E396 WeakPolarHBondContact CB-O 3.38Å; S61-E396 PolarHBondContact N-O 2.82Å; G390-E396 VanDerWaalsContact CA-OE2 3.32Å; G390-E396 WeakPolarHBondContact CA-OE2 3.27Å; L391-E396 PolarHBondContact N-OE2 3.03Å; N392-E396 WeakPolarHBondContact CA-OE1 3.35Å; N392-E396 VanDerWaalsContact CB-OE1 3.31Å; N392-E396 WeakPolarHBondContact CB-OE1 3.4Å; N392-E396 PolarHBondContact N-OE1 2.74Å; R393-E396 HydrophobicContact CB-CG 4.33Å; R393-E396 PolarHBondContact N-OE1 2.84Å; R393-E396 VanDerWaalsContact O-CG 3.27Å; R393-E396 WeakPolarHBondContact O-CG 3.14Å; R393-E396 PolarHBondContact O-N 3.3Å; Y394-E396 VanDerWaalsContact C-N 3.28Å; Y394-E396 PolarHBondContact O-N 2.82Å
397	S	98.2	Very high	96.4	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.3	179.7	62.4	0	0	0	0	113.9	W59 E388 K389	W59-S397 CarbonylContact O-C 3.58Å; W59-S397 WeakPolarHBondContact O-CA 2.91Å; W59-S397 WeakPolarHBondContact O-CB 2.99Å; E388-S397 WeakPolarHBondContact CA-O 3.38Å; K389-S397 PolarHBondContact N-O 3.39Å; K389-S397 PolarHBondContact O-N 2.83Å; K389-S397 PolarHBondContact O-OG 3.05Å
398	I	98.7	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.9	168.3	-63.4	175.6	0	0	0	108.5	L58 W59 F71 P74 A88 L386 Y387 E388	L58-I398 PolarHBondContact N-O 3.32Å; W59-I398 HydrophobicContact CB-CB 4.47Å; W59-I398 HydrophobicContact CE3-CB 3.94Å; W59-I398 HydrophobicContact CE3-CD1 4.19Å; W59-I398 HydrophobicContact CE3-CG2 3.84Å; W59-I398 HydrophobicContact CZ3-CG2 4.16Å; W59-I398 PolarHBondContact N-O 2.97Å; W59-I398 VanDerWaalsContact N-O 3.15Å; W59-I398 PolarHBondContact O-N 2.86Å; F71-I398 HydrophobicContact CB-CD1 3.87Å; F71-I398 HydrophobicContact CB-CG1 4.45Å; P74-I398 HydrophobicContact CB-CD1 4.34Å; P74-I398 HydrophobicContact CB-CG2 3.97Å; A88-I398 HydrophobicContact CB-CD1 3.63Å; L386-I398 HydrophobicContact CD1-CG2 3.67Å; L386-I398 HydrophobicContact CD2-CG2 4.27Å; L386-I398 HydrophobicContact CG-CG2 3.76Å; Y387-I398 VanDerWaalsContact O-CA 3.29Å; Y387-I398 WeakPolarHBondContact O-CA 3.27Å; E388-I398 HydrophobicContact CG-CG1 4.34Å
399	S	98.7	Very high	93.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.4	176.4	-81.5	0	0	0	0	110.9	E55 Q56 L386 Y387 K389	E55-S399 WeakPolarHBondContact OE1-CB 3.37Å; E55-S399 PolarHBondContact OE1-OG 2.74Å; Q56-S399 CarbonylContact O-C 3.56Å; Q56-S399 VanDerWaalsContact O-CA 3.29Å; Q56-S399 WeakPolarHBondContact O-CA 3.45Å; L386-S399 CarbonylContact C-O 3.39Å; L386-S399 WeakPolarHBondContact CA-O 3.38Å; L386-S399 WeakPolarHBondContact CD1-O 3.3Å; Y387-S399 WeakPolarHBondContact CD1-O 3.21Å; Y387-S399 PolarHBondContact N-O 3.36Å; Y387-S399 PolarHBondContact O-N 2.9Å; K389-S399 VanDerWaalsContact CE-OG 3.31Å; K389-S399 WeakPolarHBondContact CE-OG 3.5Å
400	M	98.5	Very high	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.8	166.7	-178.4	-84	-73.2	0	0	109.4	M54 E55 Q56 L58 I76 G112 W115 F384 V385 L386 K402	M54-M400 HydrophobicContact CE-CE 3.95Å; E55-M400 CarbonylContact C-O 3.29Å; E55-M400 WeakPolarHBondContact CA-O 3.48Å; Q56-M400 HydrophobicContact CB-CE 4.49Å; Q56-M400 HydrophobicContact CG-CE 4.47Å; Q56-M400 PolarHBondContact N-O 3.41Å; Q56-M400 PolarHBondContact O-N 2.84Å; L58-M400 HydrophobicContact CD1-CB 4.08Å; L58-M400 HydrophobicContact CG-CB 4.22Å; I76-M400 HydrophobicContact CD1-CG 4.05Å; G112-M400 WeakPolarHBondContact O-CE 3.26Å; W115-M400 HydrophobicContact CZ2-CE 3.66Å; W115-M400 HydrophobicContact CZ2-CG 4.37Å; F384-M400 HydrophobicContact CD1-CE 4.48Å; F384-M400 HydrophobicContact CD1-SD 3.85Å; V385-M400 CarbonylContact O-C 3.58Å; V385-M400 VanDerWaalsContact O-CA 3.29Å; V385-M400 WeakPolarHBondContact O-CA 3.24Å; L386-M400 HydrophobicContact CD1-CB 3.75Å; L386-M400 HydrophobicContact CD1-CG 4.47Å; M400-K402 HydrophobicContact SD-CB 4.48Å
401	V	98.3	Very high	93.3	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.4	165.6	-71.8	0	0	0	0	110.7	V52 M54 E55 L357 F384 V385 Y387 I403	V52-V401 HydrophobicContact CG1-CB 4.17Å; V52-V401 HydrophobicContact CG1-CG1 4.04Å; M54-V401 CarbonylContact O-C 3.56Å; M54-V401 VanDerWaalsContact O-CA 3.3Å; M54-V401 WeakPolarHBondContact O-CA 3.47Å; E55-V401 HydrophobicContact CB-CG1 3.92Å; E55-V401 HydrophobicContact CG-CG1 3.74Å; L357-V401 HydrophobicContact CD1-CG2 4.2Å; L357-V401 HydrophobicContact CD2-CG2 4.12Å; F384-V401 WeakPolarHBondContact CA-O 3.34Å; V385-V401 HydrophobicContact CB-CG2 3.68Å; V385-V401 HydrophobicContact CG2-CG2 4.23Å; V385-V401 PolarHBondContact N-O 3.49Å; V385-V401 PolarHBondContact O-N 3.33Å; Y387-V401 HydrophobicContact CE1-CB 4.44Å; Y387-V401 HydrophobicContact CE1-CG1 3.87Å; Y387-V401 HydrophobicContact CE1-CG2 3.99Å; V401-I403 HydrophobicContact CG2-CD1 4.07Å; V401-I403 HydrophobicContact CG2-CG1 4.25Å
402	K	97.4	Very high	93	Very high	25 Å²	25	46.7 Å²	46.7	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.7	168	-179.5	178.3	-176.7	157.3	0	108.6	V52 T53 M54 Q111 F384 M400	V52-K402 WeakPolarHBondContact CA-O 3.18Å; T53-K402 PolarHBondContact N-O 3.14Å; T53-K402 PolarHBondContact OG1-O 2.57Å; M54-K402 HydrophobicContact CB-CB 4.14Å; M54-K402 HydrophobicContact CE-CB 3.92Å; M54-K402 HydrophobicContact CE-CD 4.02Å; M54-K402 PolarHBondContact N-O 3.12Å; M54-K402 PolarHBondContact O-N 1.99Å; Q111-K402 PolarHBondContact O-NZ 2.84Å; Q111-K402 VanDerWaalsContact OE1-NZ 3.08Å; F384-K402 HydrophobicContact CD1-CB 4.12Å; F384-K402 HydrophobicContact CD1-CG 4.2Å; F384-K402 HydrophobicContact CE1-CB 3.96Å; F384-K402 HydrophobicContact CE1-CD 3.92Å; F384-K402 HydrophobicContact CE1-CG 3.64Å; F384-K402 HydrophobicContact CZ-CD 4.4Å; F384-K402 HydrophobicContact CZ-CG 4.22Å; M400-K402 HydrophobicContact SD-CB 4.48Å
403	I	96.8	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.7	-174.2	-58.7	177.2	0	0	0	108.8	P50 L51 V52 L340 L357 L383 V385 V401	P50-I403 HydrophobicContact CB-CG2 3.74Å; L51-I403 CarbonylContact O-C 3.57Å; L51-I403 VanDerWaalsContact O-CA 3.27Å; L51-I403 WeakPolarHBondContact O-CA 3.43Å; V52-I403 HydrophobicContact CG2-CD1 4.37Å; V52-I403 HydrophobicContact CG2-CG1 4.09Å; L340-I403 HydrophobicContact CD2-CD1 3.61Å; L340-I403 HydrophobicContact CD2-CG2 4.44Å; L357-I403 HydrophobicContact CD2-CD1 3.91Å; L383-I403 HydrophobicContact CB-CB 4.15Å; L383-I403 HydrophobicContact CD2-CD1 4.34Å; L383-I403 PolarHBondContact N-O 3.13Å; L383-I403 PolarHBondContact O-N 2.83Å; V385-I403 HydrophobicContact CG2-CD1 4.02Å; V401-I403 HydrophobicContact CG2-CD1 4.07Å; V401-I403 HydrophobicContact CG2-CG1 4.25Å
404	S	93.9	Very high	92.5	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.9	168.5	179.5	0	0	0	0	108.9	P50 L51 Y406 G407 T408	P50-S404 VanDerWaalsContact CA-O 3.29Å; P50-S404 WeakPolarHBondContact CA-O 3.44Å; L51-S404 PolarHBondContact N-O 3.27Å; L51-S404 PolarHBondContact O-N 3.48Å; S404-Y406 VanDerWaalsContact C-N 3.29Å; S404-Y406 PolarHBondContact O-N 3.04Å; S404-G407 PolarHBondContact O-N 2.71Å; S404-G407 PolarHBondContact OG-N 3.41Å; S404-T408 WeakPolarHBondContact CB-O 3.46Å; S404-T408 PolarHBondContact OG-N 2.69Å; S404-T408 PolarHBondContact OG-O 2.85Å; S404-T408 PolarHBondContact OG-OG1 2.64Å
405	V	92.7	Very high	92.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.8	-176.1	170.3	0	0	0	0	112.1	V48 Q49 I323 F325 P381 L383	V48-V405 HydrophobicContact CG1-CG1 4.09Å; V48-V405 HydrophobicContact CG2-CG1 4.26Å; Q49-V405 CarbonylContact C-O 3.36Å; Q49-V405 VanDerWaalsContact C-O 3.29Å; Q49-V405 PolarHBondContact N-O 3.3Å; I323-V405 HydrophobicContact CD1-CG1 4.33Å; F325-V405 HydrophobicContact CE2-CG2 4.36Å; F325-V405 HydrophobicContact CZ-CG1 3.99Å; F325-V405 HydrophobicContact CZ-CG2 3.93Å; P381-V405 HydrophobicContact CB-CG2 4.29Å; P381-V405 HydrophobicContact CG-CB 4.1Å; P381-V405 HydrophobicContact CG-CG1 4.31Å; P381-V405 HydrophobicContact CG-CG2 4.29Å; P381-V405 WeakPolarHBondContact O-CB 3.47Å; P381-V405 VanDerWaalsContact O-CG2 3.26Å; P381-V405 WeakPolarHBondContact O-CG2 3.33Å; P381-V405 PolarHBondContact O-N 2.91Å; L383-V405 HydrophobicContact CB-CG2 4.28Å
406	Y	89.1	Confident	91.7	Very high	34 Å²	34	31.4 Å²	31.4	13%	0.133	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	15.6	-177.4	-65.7	-72.2	0	0	0	113.2	E42 L47 V48 P380 P381 S404 T408	E42-Y406 PolarHBondContact O-OH 2.74Å; L47-Y406 HydrophobicContact CB-CD1 3.93Å; L47-Y406 HydrophobicContact CB-CE1 4.28Å; V48-Y406 HydrophobicContact CG2-CD1 4.08Å; V48-Y406 HydrophobicContact CG2-CE1 3.54Å; P380-Y406 HydrophobicContact CB-CD2 4.01Å; P381-Y406 HydrophobicContact CG-CD2 4.09Å; P381-Y406 HydrophobicContact CG-CE2 3.6Å; S404-Y406 VanDerWaalsContact C-N 3.29Å; S404-Y406 PolarHBondContact O-N 3.04Å; Y406-T408 PolarHBondContact O-N 2.82Å
407	G	80.8	Confident	91.2	Very high	22 Å²	22	29.2 Å²	29.2	23%	0.227	16%	0.164	C	C	.	.	S	Bend	trans	69.9	3.4	175.5	0	0	0	0	0	115.5	Q49 S404	Q49-G407 WeakPolarHBondContact O-CA 3.23Å; Q49-G407 PolarHBondContact O-N 3.09Å; S404-G407 PolarHBondContact O-N 2.71Å; S404-G407 PolarHBondContact OG-N 3.41Å
408	T	75.5	Confident	90.6	Very high	74 Å²	74	30.5 Å²	30.5	45%	0.454	17%	0.17	S	C	.	.			trans	-78.9	130.8	177.4	56.6	0	0	0	0	110.4	S404 Y406	S404-T408 WeakPolarHBondContact CB-O 3.46Å; S404-T408 PolarHBondContact OG-N 2.69Å; S404-T408 PolarHBondContact OG-O 2.85Å; S404-T408 PolarHBondContact OG-OG1 2.64Å; Y406-T408 PolarHBondContact O-N 2.82Å
409	L	67.2	Low	89.9	Confident	199 Å²	199	33.3 Å²	33.3	100%	1.042	19%	0.186	S	C	*	.			trans	-79.6	0	175.4	-71.2	172.5	0	0	0	112.7	L51 T53	L51-L409 HydrophobicContact CD2-CD2 4.02Å; L51-L409 HydrophobicContact CD2-CG 4.35Å; T53-L409 HydrophobicContact CG2-CD2 3.79Å

Retrieved 409 of 409 residues in 616.8 ms (Link to these results)

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