A0A087Y7F1_POEFO Loading...

Aconitate hydratase, mitochondrial

Catalyzes the isomerization of citrate to isocitrate via cis-aconitate.

AlphaFold DB , UniProt , Accession A0A087Y7F1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.3	Low	42.4	Very low	251 Å²	251	137.4 Å²	137.4	100%	1.236	75%	0.745	S	S	*	*				0	54	0	-146.7	-167.5	-92.9	0	0	111.2
2	A	41.6	Very low	42.1	Very low	94 Å²	94	143.7 Å²	143.7	78%	0.777	75%	0.75	S	S	*	*			trans	-155.5	21.1	177.3	0	0	0	0	0	115
3	S	39.7	Very low	42	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	76%	0.756	S	S	*	*	S	Bend	trans	-137.6	12.9	171.8	-78.5	0	0	0	0	114.5
4	Y	41.2	Very low	42.1	Very low	220 Å²	220	140.4 Å²	140.4	86%	0.863	75%	0.751	S	S	*	*	S	Bend	trans	-101.1	-4.4	174.5	-117.2	-92.3	0	0	0	113.6
5	C	43.2	Very low	42.1	Very low	104 Å²	104	140.5 Å²	140.5	70%	0.703	75%	0.75	S	S	*	*	S	Bend	trans	-98.6	-7.7	-171.5	-144.7	0	0	0	0	114.1	T9	C5-T9 PolarHBondContact O-OG1 2.85Å
6	T	40.3	Very low	41.5	Very low	102 Å²	102	136.3 Å²	136.3	63%	0.626	75%	0.75	S	S	*	*	S	Bend	trans	-100.8	-14.2	-173.3	-1	0	0	0	0	114.5
7	T	43.9	Very low	41.8	Very low	102 Å²	102	137.3 Å²	137.3	63%	0.626	76%	0.762	S	S	*	*	S	Bend	trans	-88.2	-24.4	179.7	-35.8	0	0	0	0	112.7
8	V	44.8	Very low	41.8	Very low	96 Å²	96	133.9 Å²	133.9	58%	0.582	76%	0.764	S	S	*	*	H	α-helix	trans	-78.5	-23.3	-178.7	-178.5	0	0	0	0	112.2
9	T	41.3	Very low	41.4	Very low	93 Å²	93	132.4 Å²	132.4	57%	0.571	77%	0.769	S	S	*	*	H	α-helix	trans	-85.6	-23	-176.7	-28.7	0	0	0	0	113.1	C5	C5-T9 PolarHBondContact O-OG1 2.85Å
10	R	39.9	Very low	41.1	Very low	220 Å²	220	136.8 Å²	136.8	83%	0.83	77%	0.772	S	S	*	*	H	α-helix	trans	-83.1	-23.3	177.6	-81.7	-172.7	174.4	-175.9	-0.8	114.5
11	L	39.1	Very low	40.7	Very low	125 Å²	125	141.6 Å²	141.6	65%	0.654	78%	0.778	S	S	*	*	H	α-helix	trans	-80.7	-20	175.8	-112	97	0	0	0	113.9	L13	L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.1Å
12	R	38.7	Very low	39.9	Very low	213 Å²	213	138.1 Å²	138.1	80%	0.804	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-12.2	178.5	-87.1	-174.2	174	-177	-0.5	114.5
13	L	41.2	Very low	39.6	Very low	159 Å²	159	140.7 Å²	140.7	83%	0.832	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-10.9	178.8	-106.4	119.8	0	0	0	114.3	L11	L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 3.1Å
14	A	43.4	Very low	39.3	Very low	82 Å²	82	141.2 Å²	141.2	68%	0.678	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-13.5	-177.7	0	0	0	0	0	114.3
15	L	42.2	Very low	39	Very low	142 Å²	142	134 Å²	134	74%	0.743	74%	0.736	S	S	*	*	S	Bend	trans	-118.2	87.6	-177.7	-70.3	167	0	0	0	109.3
16	G	32.9	Very low	38.5	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	73%	0.731	S	S	*	*			trans	-50.4	147.6	170.6	0	0	0	0	0	112	G18	G16-G18 PolarHBondContact O-N 3.46Å
17	T	45.9	Very low	38	Very low	154 Å²	154	133.4 Å²	133.4	95%	0.945	74%	0.736	S	S	*	*	S	Bend	trans	-52.8	114.9	-178.8	43	0	0	0	0	112.9
18	G	42.6	Very low	37.3	Very low	77 Å²	77	136 Å²	136	79%	0.794	75%	0.746	S	S	*	*			trans	122.1	82.6	156.5	0	0	0	0	0	115.9	G16	G16-G18 PolarHBondContact O-N 3.46Å
19	A	32.5	Very low	36.7	Very low	104 Å²	104	135.6 Å²	135.6	86%	0.86	75%	0.747	S	S	*	*			trans	-162.2	144.5	151.1	0	0	0	0	0	110.6
20	R	35.6	Very low	36.4	Very low	221 Å²	221	135 Å²	135	83%	0.834	75%	0.751	S	S	*	*			trans	-43.8	132.3	-169.7	-69.7	165.5	175.3	177.2	-2.9	114.8	F22	R20-F22 VanDerWaalsContact C-N 3.33Å; R20-F22 PolarHBondContact O-N 2.93Å
21	R	33.5	Very low	36.8	Very low	237 Å²	237	136.2 Å²	136.2	89%	0.894	76%	0.755	S	S	*	*			trans	-63.1	91.7	160.9	-69.5	-178.5	177.9	179.3	-0.7	108.7	H23	R21-H23 PolarHBondContact O-N 3.36Å
22	F	35.1	Very low	37.4	Very low	179 Å²	179	134.7 Å²	134.7	79%	0.785	76%	0.761	S	S	*	*			trans	-66.8	115.5	157.8	-86.1	-86	0	0	0	107.2	R20 V24	R20-F22 VanDerWaalsContact C-N 3.33Å; R20-F22 PolarHBondContact O-N 2.93Å; F22-V24 PolarHBondContact O-N 2.75Å
23	H	34.3	Very low	38.9	Very low	148 Å²	148	126.8 Å²	126.8	69%	0.685	75%	0.746	S	S	*	*			trans	-60.7	97.8	173.5	-83.1	-82	0	0	0	109.6	R21 A25 A26	R21-H23 PolarHBondContact O-N 3.36Å; H23-A25 PolarHBondContact O-N 3.22Å; H23-A25 VanDerWaalsContact O-N 3.09Å; H23-A26 PolarHBondContact O-N 2.9Å; H23-A26 VanDerWaalsContact O-N 3.09Å
24	V	33.2	Very low	41.2	Very low	114 Å²	114	119.9 Å²	119.9	69%	0.691	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-5.2	164.1	-178.9	0	0	0	0	111.4	F22	F22-V24 PolarHBondContact O-N 2.75Å
25	A	34.7	Very low	43.7	Very low	69 Å²	69	117.3 Å²	117.3	57%	0.57	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-19.3	169.2	0	0	0	0	0	114.3	H23 S29	H23-A25 PolarHBondContact O-N 3.22Å; H23-A25 VanDerWaalsContact O-N 3.09Å; A25-S29 WeakPolarHBondContact O-CB 3.41Å
26	A	32.3	Very low	46.3	Very low	71 Å²	71	111.1 Å²	111.1	59%	0.587	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-22.4	-179.4	0	0	0	0	0	113.4	H23	H23-A26 PolarHBondContact O-N 2.9Å; H23-A26 VanDerWaalsContact O-N 3.09Å
27	V	31.6	Very low	49.3	Very low	122 Å²	122	107.8 Å²	107.8	74%	0.739	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-19.8	-179.4	-178.1	0	0	0	0	112.1
28	L	27.7	Very low	51.7	Low	158 Å²	158	107.6 Å²	107.6	83%	0.827	61%	0.605	S	S	*	*	S	Bend	trans	-95.7	-1.3	173.8	-76.7	160.9	0	0	0	113.7
29	S	32.9	Very low	54.2	Low	87 Å²	87	105.2 Å²	105.2	61%	0.608	57%	0.573	S	S	*	*	S	Bend	trans	-95.7	7	175.1	-173.4	0	0	0	0	113.6	A25 R31	A25-S29 WeakPolarHBondContact O-CB 3.41Å; S29-R31 PolarHBondContact O-N 2.67Å
30	A	35.4	Very low	57.1	Low	79 Å²	79	101.4 Å²	101.4	65%	0.653	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	36.6	-173	0	0	0	0	0	114.5
31	R	47	Very low	59.6	Low	246 Å²	246	96.1 Å²	96.1	93%	0.928	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	35.6	166	-85.3	-166.2	177	178.3	-1.9	112.2	S29 G33	S29-R31 PolarHBondContact O-N 2.67Å; R31-G33 PolarHBondContact O-N 2.86Å; R31-G33 VanDerWaalsContact O-N 3.13Å
32	A	52.6	Low	62.2	Low	93 Å²	93	88.8 Å²	88.8	77%	0.769	53%	0.53	S	S	*	.			trans	-70.1	105.4	161.5	0	0	0	0	0	106.8
33	G	70.8	Confident	64.9	Low	48 Å²	48	82.2 Å²	82.2	50%	0.495	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-62	145.5	179.7	0	0	0	0	0	111.2	R31 A35	R31-G33 PolarHBondContact O-N 2.86Å; R31-G33 VanDerWaalsContact O-N 3.13Å; G33-A35 PolarHBondContact O-N 2.79Å
34	A	89.6	Confident	67.7	Low	13 Å²	13	78.7 Å²	78.7	11%	0.107	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-53.8	136.5	177.6	0	0	0	0	0	110.8	S44 I45 E316 I317 A320	A34-S44 CarbonylContact O-C 3.51Å; A34-S44 WeakPolarHBondContact O-CA 3.24Å; A34-I45 HydrophobicContact CB-CD1 4.25Å; A34-I45 WeakPolarHBondContact O-CG1 3.47Å; A34-I45 PolarHBondContact O-N 2.88Å; A34-E316 HydrophobicContact CB-CB 4.15Å; A34-I317 HydrophobicContact CB-CG1 4.49Å; A34-A320 HydrophobicContact CB-CB 4.27Å
35	A	95.9	Very high	70.6	Confident	29 Å²	29	74.1 Å²	74.1	24%	0.24	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-64.3	148	176.7	0	0	0	0	0	110.9	G33 S37 S43	G33-A35 PolarHBondContact O-N 2.79Å; A35-S37 VanDerWaalsContact C-N 3.26Å; A35-S37 PolarHBondContact O-N 2.91Å; A35-S43 CarbonylContact C-O 3.49Å; A35-S43 VanDerWaalsContact CA-O 3.31Å; A35-S43 WeakPolarHBondContact CA-O 3.37Å
36	M	96.1	Very high	73.4	Confident	11 Å²	11	72.5 Å²	72.5	5%	0.054	46%	0.46	C	S	.	.	S	Bend	trans	-62.2	-35.3	177.6	-70.7	178.3	66.5	0	0	112.2	S43 I45 D96 R97 P123 Y185	M36-S43 PolarHBondContact N-O 3.21Å; M36-I45 HydrophobicContact CG-CG1 4.33Å; M36-D96 HydrophobicContact CE-CB 3.73Å; M36-R97 HydrophobicContact CE-CB 4.26Å; M36-P123 HydrophobicContact CE-CG 4.28Å; M36-P123 HydrophobicContact SD-CG 4.12Å; M36-Y185 HydrophobicContact CB-CE1 4.35Å; M36-Y185 HydrophobicContact CE-CE1 4.37Å; M36-Y185 HydrophobicContact CG-CE1 4.4Å
37	S	96.6	Very high	76.5	Confident	4 Å²	4	69.6 Å²	69.6	3%	0.028	43%	0.434	C	S	.	.			trans	-159.1	169.6	171.3	89.6	0	0	0	0	111.1	A35 F39 E40 N182	A35-S37 VanDerWaalsContact C-N 3.26Å; A35-S37 PolarHBondContact O-N 2.91Å; S37-F39 PolarHBondContact O-N 3.21Å; S37-F39 PolarHBondContact OG-N 2.9Å; S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 CarbonylContact O-C 3.25Å; S37-E40 PolarHBondContact O-N 2.6Å; S37-E40 PolarHBondContact OG-N 2.9Å; S37-E40 PolarHBondContact OG-OE2 3.42Å; S37-N182 WeakPolarHBondContact CB-O 3.46Å
38	R	94.8	Very high	79.6	Confident	150 Å²	150	66 Å²	66	57%	0.566	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	172.1	64.7	-178.9	173.6	176.1	-0.6	114.3	N182	R38-N182 PolarHBondContact NE-OD1 3.13Å; R38-N182 PolarHBondContact NH2-OD1 3.44Å
39	F	95.8	Very high	82.8	Confident	27 Å²	27	64.5 Å²	64.5	12%	0.118	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-15.9	-178.1	-54.1	-74.4	0	0	0	112.7	S37 P41 W168 N182 Y183 Y547	S37-F39 PolarHBondContact O-N 3.21Å; S37-F39 PolarHBondContact OG-N 2.9Å; F39-P41 VanDerWaalsContact C-CD 3.45Å; F39-W168 HydrophobicContact CE1-CH2 4.44Å; F39-W168 HydrophobicContact CE1-CZ2 4.34Å; F39-W168 HydrophobicContact CE2-CH2 4.13Å; F39-W168 AromaticContact CE2-CZ2 3.63Å; F39-W168 HydrophobicContact CE2-CZ2 3.63Å; F39-W168 AromaticContact CZ-CH2 3.61Å; F39-W168 HydrophobicContact CZ-CH2 3.61Å; F39-W168 AromaticContact CZ-CZ2 3.51Å; F39-W168 HydrophobicContact CZ-CZ2 3.51Å; F39-N182 HydrophobicContact CE2-CB 3.94Å; F39-N182 WeakPolarHBondContact CE2-OD1 3.17Å; F39-Y183 HydrophobicContact CB-CE1 4.49Å; F39-Y183 AromaticContact CD2-CE1 3.52Å; F39-Y183 HydrophobicContact CD2-CE1 3.52Å; F39-Y183 AromaticContact CD2-CZ 3.66Å; F39-Y183 VanDerWaalsContact CD2-OH 3.32Å; F39-Y183 WeakPolarHBondContact CD2-OH 3.17Å; F39-Y183 HydrophobicContact CE2-CE1 4.17Å; F39-Y183 AromaticContact CE2-CZ 3.96Å; F39-Y183 HydrophobicContact CG-CE1 4.38Å; F39-Y547 HydrophobicContact CB-CE1 3.99Å; F39-Y547 AromaticContact CD1-CD1 3.38Å; F39-Y547 HydrophobicContact CD1-CD1 3.38Å; F39-Y547 HydrophobicContact CD1-CD2 4.5Å; F39-Y547 AromaticContact CD1-CE1 3.41Å; F39-Y547 HydrophobicContact CD1-CE1 3.41Å; F39-Y547 VanDerWaalsContact CD1-CE1 3.41Å; F39-Y547 AromaticContact CD1-CG 3.95Å; F39-Y547 HydrophobicContact CD1-CG 3.95Å; F39-Y547 AromaticContact CD1-CZ 4Å; F39-Y547 AromaticContact CE1-CD1 3.64Å; F39-Y547 HydrophobicContact CE1-CD1 3.64Å; F39-Y547 HydrophobicContact CE1-CD2 4.46Å; F39-Y547 HydrophobicContact CE1-CE1 4.13Å; F39-Y547 AromaticContact CE1-CG 3.8Å; F39-Y547 HydrophobicContact CE1-CG 3.8Å; F39-Y547 HydrophobicContact CG-CD1 4.29Å; F39-Y547 AromaticContact CG-CE1 3.93Å; F39-Y547 HydrophobicContact CG-CE1 3.93Å
40	E	93	Very high	85.9	Confident	24 Å²	24	60.6 Å²	60.6	11%	0.112	38%	0.38	C	S	.	.			trans	-127.3	60.2	-178.3	-58.5	96.5	-151.1	0	0	111.6	S37 G42 S43 R97 P123	S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 CarbonylContact O-C 3.25Å; S37-E40 PolarHBondContact O-N 2.6Å; S37-E40 PolarHBondContact OG-N 2.9Å; S37-E40 PolarHBondContact OG-OE2 3.42Å; E40-G42 PolarHBondContact O-N 2.76Å; E40-S43 PolarHBondContact O-N 2.69Å; E40-R97 IonicContact OE2-NH1 2.7Å; E40-R97 PolarHBondContact OE2-NH1 2.8Å; E40-R97 VanDerWaalsContact OE2-NH1 3.12Å; E40-P123 HydrophobicContact CG-CB 4.18Å; E40-P123 HydrophobicContact CG-CG 4.48Å
41	P	89.8	Confident	88.9	Confident	110 Å²	110	61.5 Å²	61.5	71%	0.714	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	-175.8	27.8	-36.4	0	0	0	113.8	F39	F39-P41 VanDerWaalsContact C-CD 3.45Å
42	G	87.3	Confident	91.3	Very high	82 Å²	82	55.7 Å²	55.7	85%	0.845	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.1	174.9	0	0	0	0	0	114.8	E40	E40-G42 PolarHBondContact O-N 2.76Å
43	S	90.8	Very high	93.5	Very high	41 Å²	41	51.9 Å²	51.9	29%	0.287	32%	0.321	S	S	.	.			trans	-113.3	116.9	-178.8	-59.4	0	0	0	0	109.9	A35 M36 E40	A35-S43 CarbonylContact C-O 3.49Å; A35-S43 VanDerWaalsContact CA-O 3.31Å; A35-S43 WeakPolarHBondContact CA-O 3.37Å; M36-S43 PolarHBondContact N-O 3.21Å; E40-S43 PolarHBondContact O-N 2.69Å
44	S	93.4	Very high	94.8	Very high	74 Å²	74	49.6 Å²	49.6	52%	0.517	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-95.4	151.6	-179.7	59.2	0	0	0	0	112.7	A34	A34-S44 CarbonylContact O-C 3.51Å; A34-S44 WeakPolarHBondContact O-CA 3.24Å
45	I	94.6	Very high	95.2	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.092	30%	0.301	C	S	.	.			trans	-62.8	134.7	173.2	-63.7	175.2	0	0	0	111	A34 M36 Y47 Y185 I317	A34-I45 HydrophobicContact CB-CD1 4.25Å; A34-I45 WeakPolarHBondContact O-CG1 3.47Å; A34-I45 PolarHBondContact O-N 2.88Å; M36-I45 HydrophobicContact CG-CG1 4.33Å; I45-Y47 HydrophobicContact CG2-CD1 3.85Å; I45-Y47 HydrophobicContact CG2-CD2 3.63Å; I45-Y47 HydrophobicContact CG2-CE1 3.82Å; I45-Y47 HydrophobicContact CG2-CE2 3.6Å; I45-Y47 HydrophobicContact CG2-CG 3.74Å; I45-Y47 PolarHBondContact O-N 3.34Å; I45-Y185 HydrophobicContact CB-CE2 4.4Å; I45-Y185 HydrophobicContact CD1-CD2 4.04Å; I45-Y185 HydrophobicContact CD1-CE2 4.16Å; I45-Y185 HydrophobicContact CD1-CG 4.26Å; I45-Y185 HydrophobicContact CG1-CD2 4.36Å; I45-Y185 HydrophobicContact CG1-CE1 4.34Å; I45-Y185 HydrophobicContact CG1-CE2 3.98Å; I45-Y185 HydrophobicContact CG2-CD2 4.29Å; I45-Y185 HydrophobicContact CG2-CE2 3.67Å; I45-I317 HydrophobicContact CD1-CB 4.16Å; I45-I317 HydrophobicContact CD1-CD1 4.05Å; I45-I317 HydrophobicContact CD1-CG1 3.75Å; I45-I317 HydrophobicContact CD1-CG2 3.78Å
46	G	93.8	Very high	95.3	Very high	36 Å²	36	50.1 Å²	50.1	37%	0.371	30%	0.298	S	S	.	.			trans	-87.9	26.1	-172.5	0	0	0	0	0	116.9	G48 K49 M50	G46-G48 VanDerWaalsContact C-N 3.3Å; G46-G48 PolarHBondContact O-N 3.19Å; G46-K49 PolarHBondContact O-N 3.29Å; G46-M50 PolarHBondContact O-N 3.27Å
47	Y	96.8	Very high	95.4	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-56.7	-38	-172.7	-70.4	-38.3	0	0	0	114.5	I45 K49 M50 H51 P186 A320 A321 F324 L328	I45-Y47 HydrophobicContact CG2-CD1 3.85Å; I45-Y47 HydrophobicContact CG2-CD2 3.63Å; I45-Y47 HydrophobicContact CG2-CE1 3.82Å; I45-Y47 HydrophobicContact CG2-CE2 3.6Å; I45-Y47 HydrophobicContact CG2-CG 3.74Å; I45-Y47 PolarHBondContact O-N 3.34Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.25Å; Y47-M50 HydrophobicContact CD1-CE 3.82Å; Y47-M50 HydrophobicContact CE1-CE 4.33Å; Y47-M50 PolarHBondContact O-N 3.47Å; Y47-H51 WeakPolarHBondContact O-CB 3.27Å; Y47-H51 PolarHBondContact O-N 3.01Å; Y47-P186 WeakPolarHBondContact CE1-O 3.49Å; Y47-P186 VanDerWaalsContact CZ-O 3.28Å; Y47-P186 PolarHBondContact OH-O 3.43Å; Y47-A320 HydrophobicContact CD2-CB 4.21Å; Y47-A320 HydrophobicContact CE2-CB 4Å; Y47-A321 HydrophobicContact CE2-CB 4.42Å; Y47-F324 HydrophobicContact CD2-CB 4.34Å; Y47-F324 AromaticContact CD2-CD2 3.85Å; Y47-F324 HydrophobicContact CD2-CD2 3.85Å; Y47-F324 HydrophobicContact CD2-CE2 4.47Å; Y47-F324 HydrophobicContact CD2-CG 4.22Å; Y47-F324 HydrophobicContact CG-CB 4.24Å; Y47-F324 HydrophobicContact CG-CD2 4.06Å; Y47-F324 HydrophobicContact CG-CG 4.06Å; Y47-L328 HydrophobicContact CE1-CD1 4.37Å; Y47-L328 HydrophobicContact CE1-CD2 4.12Å
48	G	96.4	Very high	95.5	Very high	46 Å²	46	53.5 Å²	53.5	47%	0.474	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-41.8	177.2	0	0	0	0	0	113	G46 E52	G46-G48 VanDerWaalsContact C-N 3.3Å; G46-G48 PolarHBondContact O-N 3.19Å; G48-E52 PolarHBondContact O-N 3.4Å; G48-E52 VanDerWaalsContact O-N 3.13Å
49	K	96.1	Very high	95.6	Very high	126 Å²	126	55.2 Å²	55.2	55%	0.548	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-43	175.9	-177.9	-178.3	177.2	-174.1	0	111	G46 Y47 E52 N53	G46-K49 PolarHBondContact O-N 3.29Å; Y47-K49 VanDerWaalsContact C-N 3.34Å; Y47-K49 PolarHBondContact O-N 3.25Å; K49-E52 PolarHBondContact O-N 3.41Å; K49-N53 WeakPolarHBondContact O-CB 3.49Å; K49-N53 VanDerWaalsContact O-CG 3.27Å; K49-N53 PolarHBondContact O-N 2.77Å
50	M	97.6	Very high	95.7	Very high	6 Å²	6	59 Å²	59	3%	0.03	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-47.1	177.4	-171.4	-175.8	73.3	0	0	111.1	G46 Y47 E52 N53 I54 D327 L328	G46-M50 PolarHBondContact O-N 3.27Å; Y47-M50 HydrophobicContact CD1-CE 3.82Å; Y47-M50 HydrophobicContact CE1-CE 4.33Å; Y47-M50 PolarHBondContact O-N 3.47Å; M50-E52 PolarHBondContact O-N 3.31Å; M50-N53 PolarHBondContact O-N 3.35Å; M50-I54 HydrophobicContact CE-CD1 4.3Å; M50-I54 HydrophobicContact CG-CD1 3.84Å; M50-I54 HydrophobicContact CG-CG1 4.46Å; M50-I54 WeakPolarHBondContact O-CB 3.22Å; M50-I54 VanDerWaalsContact O-CG1 3.25Å; M50-I54 WeakPolarHBondContact O-CG1 3.48Å; M50-I54 PolarHBondContact O-N 3.3Å; M50-D327 HydrophobicContact CE-CB 3.93Å; M50-L328 HydrophobicContact CE-CD2 3.94Å
51	H	98	Very high	95.9	Very high	97 Å²	97	60.3 Å²	60.3	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-46	176.6	-178.9	75.2	0	0	0	112.2	Y47 I54 G55 F324 D327	Y47-H51 WeakPolarHBondContact O-CB 3.27Å; Y47-H51 PolarHBondContact O-N 3.01Å; H51-I54 PolarHBondContact O-N 2.97Å; H51-G55 PolarHBondContact O-N 3.01Å; H51-F324 HydrophobicContact CB-CD1 4.24Å; H51-F324 HydrophobicContact CB-CE1 4.02Å; H51-D327 WeakPolarHBondContact CB-OD2 3.04Å; H51-D327 IonicContact CE1-OD2 3.99Å; H51-D327 IonicContact CG-OD2 3.98Å; H51-D327 IonicContact ND1-OD1 3.92Å; H51-D327 IonicContact ND1-OD2 2.77Å; H51-D327 PolarHBondContact ND1-OD2 2.89Å
52	E	98.2	Very high	96.2	Very high	125 Å²	125	58.4 Å²	58.4	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-59.9	-48	176.9	-176.8	177.6	-177.1	0	0	111.6	G48 K49 M50 G55 I56	G48-E52 PolarHBondContact O-N 3.4Å; G48-E52 VanDerWaalsContact O-N 3.13Å; K49-E52 PolarHBondContact O-N 3.41Å; M50-E52 PolarHBondContact O-N 3.31Å; E52-G55 PolarHBondContact O-N 3.37Å; E52-I56 HydrophobicContact CG-CD1 4.33Å; E52-I56 WeakPolarHBondContact O-CG1 3.2Å; E52-I56 PolarHBondContact O-N 2.9Å
53	N	98.5	Very high	96.7	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-44.4	179.2	-72.9	-4.5	0	0	0	112.1	K49 M50 G55 I56 V57 G74 P79	K49-N53 WeakPolarHBondContact O-CB 3.49Å; K49-N53 VanDerWaalsContact O-CG 3.27Å; K49-N53 PolarHBondContact O-N 2.77Å; M50-N53 PolarHBondContact O-N 3.35Å; N53-G55 VanDerWaalsContact C-N 3.3Å; N53-G55 PolarHBondContact O-N 3.47Å; N53-I56 PolarHBondContact O-N 3.19Å; N53-V57 WeakPolarHBondContact O-CG2 3.38Å; N53-V57 PolarHBondContact O-N 3.27Å; N53-G74 WeakPolarHBondContact CB-O 3.41Å; N53-G74 PolarHBondContact ND2-O 2.84Å; N53-P79 HydrophobicContact CB-CB 4.3Å; N53-P79 HydrophobicContact CB-CG 4.4Å
54	I	98.4	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-45.4	173.6	-70.3	165.5	0	0	0	109.9	M50 H51 I56 V57 R58 L65 K70 D327	M50-I54 HydrophobicContact CE-CD1 4.3Å; M50-I54 HydrophobicContact CG-CD1 3.84Å; M50-I54 HydrophobicContact CG-CG1 4.46Å; M50-I54 WeakPolarHBondContact O-CB 3.22Å; M50-I54 VanDerWaalsContact O-CG1 3.25Å; M50-I54 WeakPolarHBondContact O-CG1 3.48Å; M50-I54 PolarHBondContact O-N 3.3Å; H51-I54 PolarHBondContact O-N 2.97Å; I54-I56 PolarHBondContact O-N 2.8Å; I54-V57 PolarHBondContact O-N 2.83Å; I54-R58 WeakPolarHBondContact O-CB 3.25Å; I54-R58 PolarHBondContact O-N 3.15Å; I54-L65 HydrophobicContact CG2-CD1 4.38Å; I54-K70 HydrophobicContact CD1-CB 3.93Å; I54-K70 WeakPolarHBondContact CD1-O 3.32Å; I54-K70 HydrophobicContact CG1-CB 4.34Å; I54-K70 VanDerWaalsContact CG1-O 3.26Å; I54-K70 WeakPolarHBondContact CG1-O 3.21Å; I54-K70 HydrophobicContact CG2-CG 4.48Å; I54-D327 HydrophobicContact CD1-CB 3.85Å
55	G	98.1	Very high	97.3	Very high	18 Å²	18	55.4 Å²	55.4	19%	0.186	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-41.2	177.6	0	0	0	0	0	113.3	H51 E52 N53 R59	H51-G55 PolarHBondContact O-N 3.01Å; E52-G55 PolarHBondContact O-N 3.37Å; N53-G55 VanDerWaalsContact C-N 3.3Å; N53-G55 PolarHBondContact O-N 3.47Å; G55-R59 WeakPolarHBondContact O-CG 3.42Å; G55-R59 VanDerWaalsContact O-CZ 3.3Å; G55-R59 PolarHBondContact O-N 3.12Å; G55-R59 PolarHBondContact O-NH1 3.05Å
56	I	98.4	Very high	97.5	Very high	34 Å²	34	54.6 Å²	54.6	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-52	174.8	-66.9	165.2	0	0	0	110.4	E52 N53 I54 R59 R60 P79 A80	E52-I56 HydrophobicContact CG-CD1 4.33Å; E52-I56 WeakPolarHBondContact O-CG1 3.2Å; E52-I56 PolarHBondContact O-N 2.9Å; N53-I56 PolarHBondContact O-N 3.19Å; I54-I56 PolarHBondContact O-N 2.8Å; I56-R59 PolarHBondContact O-N 3.32Å; I56-R60 WeakPolarHBondContact O-CG 3.44Å; I56-R60 PolarHBondContact O-N 2.83Å; I56-P79 HydrophobicContact CB-CB 4.38Å; I56-P79 HydrophobicContact CD1-CG 3.96Å; I56-P79 HydrophobicContact CG2-CB 4.15Å; I56-P79 HydrophobicContact CG2-CG 4.48Å; I56-A80 HydrophobicContact CG2-CB 4.32Å
57	V	98.2	Very high	97.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-41.5	-176	172.8	0	0	0	0	111.3	N53 I54 R59 R60 L61 Y73 L76 P79 I84	N53-V57 WeakPolarHBondContact O-CG2 3.38Å; N53-V57 PolarHBondContact O-N 3.27Å; I54-V57 PolarHBondContact O-N 2.83Å; V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 PolarHBondContact O-N 2.94Å; V57-R60 WeakPolarHBondContact O-CB 3.32Å; V57-R60 PolarHBondContact O-N 2.81Å; V57-R60 VanDerWaalsContact O-N 3.08Å; V57-L61 HydrophobicContact CG1-CD1 3.6Å; V57-L61 HydrophobicContact CG1-CG 4.01Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 3.06Å; V57-Y73 HydrophobicContact CG1-CD2 3.77Å; V57-Y73 HydrophobicContact CG1-CG 4.11Å; V57-L76 HydrophobicContact CG2-CD1 4.12Å; V57-P79 HydrophobicContact CG2-CB 3.93Å; V57-I84 HydrophobicContact CG1-CD1 3.67Å; V57-I84 HydrophobicContact CG2-CD1 4.23Å
58	R	96.9	Very high	97.8	Very high	87 Å²	87	52.5 Å²	52.5	33%	0.328	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-43.2	176.3	-175.4	-178.3	-76.3	155.5	-6.2	111.7	I54 R60 G62 L65 D331	I54-R58 WeakPolarHBondContact O-CB 3.25Å; I54-R58 PolarHBondContact O-N 3.15Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 2.91Å; R58-G62 PolarHBondContact O-N 3.32Å; R58-L65 HydrophobicContact CB-CD1 4.46Å; R58-D331 IonicContact CZ-OD1 2.77Å; R58-D331 IonicContact CZ-OD2 3.54Å; R58-D331 IonicContact NE-OD2 3.44Å; R58-D331 VanDerWaalsContact NH2-CG 3.35Å; R58-D331 IonicContact NH2-OD1 2.64Å; R58-D331 PolarHBondContact NH2-OD1 3.44Å; R58-D331 IonicContact NH2-OD2 2.79Å; R58-D331 PolarHBondContact NH2-OD2 3.22Å
59	R	97.6	Very high	98	Very high	185 Å²	185	50.5 Å²	50.5	70%	0.698	25%	0.246	S	C	*	.	H	α-helix	trans	-63.4	-35.7	175.6	-75.1	-172.8	-62	-88.6	3.9	112.8	G55 I56 V57	G55-R59 WeakPolarHBondContact O-CG 3.42Å; G55-R59 VanDerWaalsContact O-CZ 3.3Å; G55-R59 PolarHBondContact O-N 3.12Å; G55-R59 PolarHBondContact O-NH1 3.05Å; I56-R59 PolarHBondContact O-N 3.32Å; V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 PolarHBondContact O-N 2.94Å
60	R	97.9	Very high	98.1	Very high	106 Å²	106	44.6 Å²	44.6	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-73.1	-42.5	179	-68.8	174.6	64.2	-142.8	-3.7	112.4	I56 V57 R58 P79 A80 Q82	I56-R60 WeakPolarHBondContact O-CG 3.44Å; I56-R60 PolarHBondContact O-N 2.83Å; V57-R60 WeakPolarHBondContact O-CB 3.32Å; V57-R60 PolarHBondContact O-N 2.81Å; V57-R60 VanDerWaalsContact O-N 3.08Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 2.91Å; R60-P79 WeakPolarHBondContact CD-O 3.25Å; R60-P79 PolarHBondContact NH1-O 2.91Å; R60-A80 PolarHBondContact NE-O 3.49Å; R60-A80 PolarHBondContact NH1-O 3.14Å; R60-Q82 VanDerWaalsContact CZ-O 3.31Å; R60-Q82 PolarHBondContact NH1-O 3.43Å; R60-Q82 PolarHBondContact NH2-O 3.2Å
61	L	97.1	Very high	98.1	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-84.1	-25.8	-175.1	-62.9	-176.9	0	0	0	113.2	V57 R63 L65 Y73 I84	V57-L61 HydrophobicContact CG1-CD1 3.6Å; V57-L61 HydrophobicContact CG1-CG 4.01Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 3.06Å; L61-R63 HydrophobicContact CB-CG 4.14Å; L61-R63 PolarHBondContact O-N 2.87Å; L61-L65 HydrophobicContact CD1-CD2 4Å; L61-Y73 HydrophobicContact CD1-CD2 4.39Å; L61-Y73 HydrophobicContact CD1-CE2 4.14Å; L61-I84 HydrophobicContact CD1-CD1 4.45Å; L61-I84 HydrophobicContact CD1-CG2 4.35Å; L61-I84 HydrophobicContact CD2-CB 4.49Å
62	G	96.8	Very high	98.2	Very high	71 Å²	71	39.8 Å²	39.8	73%	0.732	20%	0.198	S	C	*	.			trans	63.7	21.9	175.1	0	0	0	0	0	114.9	R58	R58-G62 PolarHBondContact O-N 3.32Å
63	R	97.3	Very high	98.2	Very high	79 Å²	79	34 Å²	34	30%	0.298	17%	0.171	S	C	.	.	S	Bend	trans	-139	159.9	-178.1	63.9	171.5	179.3	79.2	-4.2	112.2	L61 E69	L61-R63 HydrophobicContact CB-CG 4.14Å; L61-R63 PolarHBondContact O-N 2.87Å; R63-E69 IonicContact CZ-OE1 2.69Å; R63-E69 IonicContact CZ-OE2 2.76Å; R63-E69 IonicContact NH1-OE1 3.86Å; R63-E69 PolarHBondContact NH1-OE1 3.22Å; R63-E69 IonicContact NH1-OE2 3.3Å; R63-E69 PolarHBondContact NH1-OE2 3.3Å; R63-E69 IonicContact NH2-OE1 3.08Å; R63-E69 PolarHBondContact NH2-OE1 3.08Å; R63-E69 IonicContact NH2-OE2 2.86Å
64	P	98.3	Very high	98.2	Very high	55 Å²	55	33.5 Å²	33.5	36%	0.357	17%	0.169	S	C	.	.			trans	-58.8	145.1	169.6	-22.5	34.4	0	0	0	111.9	D331 C334	P64-D331 HydrophobicContact CB-CB 3.72Å; P64-C334 HydrophobicContact CB-CB 4.28Å
65	L	98.7	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.			trans	-107.7	138.6	178.6	-57.7	-177.9	0	0	0	110.7	I54 R58 L61 E69 K70 Y73 D331	I54-L65 HydrophobicContact CG2-CD1 4.38Å; R58-L65 HydrophobicContact CB-CD1 4.46Å; L61-L65 HydrophobicContact CD1-CD2 4Å; L65-E69 HydrophobicContact CB-CB 4.09Å; L65-E69 HydrophobicContact CD2-CB 4.45Å; L65-K70 HydrophobicContact CB-CG 3.79Å; L65-K70 HydrophobicContact CD1-CG 4.28Å; L65-Y73 HydrophobicContact CD2-CD2 4.49Å; L65-Y73 HydrophobicContact CD2-CE2 4.46Å; L65-D331 PolarHBondContact N-OD2 3.33Å; L65-D331 WeakPolarHBondContact O-CB 3.31Å; L65-D331 PolarHBondContact O-N 2.86Å
66	T	98.8	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.			trans	-65.7	165.6	166.8	70.1	0	0	0	0	109.8	S68 E69 K70 V231 E268 C334 E335 Y336	T66-S68 VanDerWaalsContact C-N 3.31Å; T66-S68 PolarHBondContact O-N 3.26Å; T66-S68 PolarHBondContact OG1-OG 2.74Å; T66-E69 PolarHBondContact N-OE2 2.9Å; T66-E69 PolarHBondContact O-N 3.01Å; T66-E69 WeakPolarHBondContact OG1-CB 3.29Å; T66-E69 VanDerWaalsContact OG1-CG 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.33Å; T66-E69 PolarHBondContact OG1-N 3.04Å; T66-K70 WeakPolarHBondContact O-CG 3.31Å; T66-K70 PolarHBondContact O-N 3.44Å; T66-V231 HydrophobicContact CG2-CB 4.37Å; T66-V231 HydrophobicContact CG2-CG1 4.19Å; T66-V231 HydrophobicContact CG2-CG2 4.3Å; T66-E268 WeakPolarHBondContact CB-OE1 3.32Å; T66-E268 WeakPolarHBondContact CB-OE2 3.44Å; T66-E268 PolarHBondContact OG1-OE2 2.77Å; T66-C334 HydrophobicContact CG2-CB 3.95Å; T66-E335 WeakPolarHBondContact CG2-O 3.12Å; T66-Y336 HydrophobicContact CG2-CD1 3.96Å; T66-Y336 HydrophobicContact CG2-CE1 3.76Å
67	L	98.8	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-46.6	177.5	172.2	62.2	0	0	0	111.5	E69 K70 I71 E268 V298 F299 P300 L328 P330	L67-E69 VanDerWaalsContact C-N 3.28Å; L67-E69 PolarHBondContact O-N 3.14Å; L67-K70 WeakPolarHBondContact O-CB 3.42Å; L67-K70 PolarHBondContact O-N 3.08Å; L67-I71 HydrophobicContact CD1-CD1 3.76Å; L67-I71 HydrophobicContact CD1-CG1 4.18Å; L67-I71 HydrophobicContact CG-CD1 4.04Å; L67-I71 PolarHBondContact O-N 3.38Å; L67-E268 HydrophobicContact CB-CG 4.37Å; L67-E268 PolarHBondContact N-OE1 2.84Å; L67-E268 PolarHBondContact N-OE2 2.85Å; L67-E268 VanDerWaalsContact N-OE2 3.13Å; L67-V298 HydrophobicContact CD2-CG1 4.19Å; L67-V298 HydrophobicContact CD2-CG2 3.89Å; L67-F299 WeakPolarHBondContact CD2-O 3.45Å; L67-P300 VanDerWaalsContact CD2-CA 3.45Å; L67-P300 HydrophobicContact CD2-CB 4.06Å; L67-L328 WeakPolarHBondContact CD1-O 3.46Å; L67-P330 HydrophobicContact CB-CB 4.38Å
68	S	98.7	Very high	98.2	Very high	2 Å²	2	38 Å²	38	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-40.1	177.9	46.6	0	0	0	0	111.9	T66 V72 E268	T66-S68 VanDerWaalsContact C-N 3.31Å; T66-S68 PolarHBondContact O-N 3.26Å; T66-S68 PolarHBondContact OG1-OG 2.74Å; S68-V72 WeakPolarHBondContact O-CB 3.26Å; S68-V72 WeakPolarHBondContact O-CG2 3.36Å; S68-V72 PolarHBondContact O-N 3.33Å; S68-E268 VanDerWaalsContact CB-OE2 3.32Å; S68-E268 WeakPolarHBondContact CB-OE2 3.2Å; S68-E268 PolarHBondContact N-OE2 3.02Å; S68-E268 PolarHBondContact OG-OE2 2.79Å
69	E	98.8	Very high	98.2	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-42.6	173.9	-75.8	-169.9	133	0	0	112.9	R63 L65 T66 L67 I71 Y73 R86 V231	R63-E69 IonicContact CZ-OE1 2.69Å; R63-E69 IonicContact CZ-OE2 2.76Å; R63-E69 IonicContact NH1-OE1 3.86Å; R63-E69 PolarHBondContact NH1-OE1 3.22Å; R63-E69 IonicContact NH1-OE2 3.3Å; R63-E69 PolarHBondContact NH1-OE2 3.3Å; R63-E69 IonicContact NH2-OE1 3.08Å; R63-E69 PolarHBondContact NH2-OE1 3.08Å; R63-E69 IonicContact NH2-OE2 2.86Å; L65-E69 HydrophobicContact CB-CB 4.09Å; L65-E69 HydrophobicContact CD2-CB 4.45Å; T66-E69 PolarHBondContact N-OE2 2.9Å; T66-E69 PolarHBondContact O-N 3.01Å; T66-E69 WeakPolarHBondContact OG1-CB 3.29Å; T66-E69 VanDerWaalsContact OG1-CG 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.33Å; T66-E69 PolarHBondContact OG1-N 3.04Å; L67-E69 VanDerWaalsContact C-N 3.28Å; L67-E69 PolarHBondContact O-N 3.14Å; E69-I71 PolarHBondContact O-N 3.22Å; E69-Y73 HydrophobicContact CB-CD2 3.81Å; E69-Y73 HydrophobicContact CB-CE2 3.46Å; E69-Y73 VanDerWaalsContact CB-CE2 3.46Å; E69-Y73 HydrophobicContact CG-CD2 4.32Å; E69-Y73 HydrophobicContact CG-CE2 3.47Å; E69-Y73 VanDerWaalsContact CG-CE2 3.47Å; E69-Y73 WeakPolarHBondContact O-CB 3.49Å; E69-Y73 WeakPolarHBondContact O-CD2 3.5Å; E69-Y73 PolarHBondContact O-N 3.46Å; E69-Y73 WeakPolarHBondContact OE1-CE2 3.4Å; E69-Y73 PolarHBondContact OE1-OH 3.19Å; E69-R86 IonicContact OE1-CZ 3.74Å; E69-R86 IonicContact OE1-NE 2.76Å; E69-R86 PolarHBondContact OE1-NE 2.94Å; E69-R86 IonicContact OE1-NH2 3.58Å; E69-R86 PolarHBondContact OE1-NH2 2.7Å; E69-R86 VanDerWaalsContact OE1-NH2 3.13Å; E69-R86 IonicContact OE2-CZ 3.01Å; E69-R86 IonicContact OE2-NE 2.97Å; E69-R86 IonicContact OE2-NH2 2.73Å; E69-R86 PolarHBondContact OE2-NH2 3.36Å; E69-V231 HydrophobicContact CG-CG2 4.48Å
70	K	98.8	Very high	98.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-51.9	176	-72.3	178.8	178.6	-175.8	0	111.3	I54 L65 T66 L67 G74 D326 V329 D331	I54-K70 HydrophobicContact CD1-CB 3.93Å; I54-K70 WeakPolarHBondContact CD1-O 3.32Å; I54-K70 HydrophobicContact CG1-CB 4.34Å; I54-K70 VanDerWaalsContact CG1-O 3.26Å; I54-K70 WeakPolarHBondContact CG1-O 3.21Å; I54-K70 HydrophobicContact CG2-CG 4.48Å; L65-K70 HydrophobicContact CB-CG 3.79Å; L65-K70 HydrophobicContact CD1-CG 4.28Å; T66-K70 WeakPolarHBondContact O-CG 3.31Å; T66-K70 PolarHBondContact O-N 3.44Å; L67-K70 WeakPolarHBondContact O-CB 3.42Å; L67-K70 PolarHBondContact O-N 3.08Å; K70-G74 WeakPolarHBondContact O-CA 3.48Å; K70-G74 PolarHBondContact O-N 3.2Å; K70-D326 PolarHBondContact NZ-O 3.35Å; K70-V329 WeakPolarHBondContact CD-O 3.5Å; K70-V329 WeakPolarHBondContact CE-O 3.39Å; K70-V329 PolarHBondContact NZ-O 2.85Å; K70-D331 WeakPolarHBondContact CE-OD1 3.13Å; K70-D331 WeakPolarHBondContact CE-OD2 3.39Å; K70-D331 IonicContact NZ-OD1 2.99Å; K70-D331 PolarHBondContact NZ-OD1 3.38Å; K70-D331 IonicContact NZ-OD2 3.32Å
71	I	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-48.2	-178	-58.7	169.5	0	0	0	110	L67 E69 Y73 G74 H75 G187 G204 I206	L67-I71 HydrophobicContact CD1-CD1 3.76Å; L67-I71 HydrophobicContact CD1-CG1 4.18Å; L67-I71 HydrophobicContact CG-CD1 4.04Å; L67-I71 PolarHBondContact O-N 3.38Å; E69-I71 PolarHBondContact O-N 3.22Å; I71-Y73 PolarHBondContact O-N 3.05Å; I71-G74 PolarHBondContact O-N 2.76Å; I71-H75 PolarHBondContact O-N 2.91Å; I71-H75 PolarHBondContact O-ND1 3.46Å; I71-G187 WeakPolarHBondContact CG2-O 3.45Å; I71-G204 WeakPolarHBondContact CD1-O 3.49Å; I71-I206 HydrophobicContact CB-CG1 3.62Å; I71-I206 HydrophobicContact CD1-CG1 4.02Å; I71-I206 HydrophobicContact CG1-CG1 4.43Å; I71-I206 HydrophobicContact CG2-CB 3.84Å; I71-I206 HydrophobicContact CG2-CG1 3.46Å; I71-I206 VanDerWaalsContact CG2-CG1 3.46Å
72	V	98.8	Very high	98	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-49.5	-178.3	172.2	0	0	0	0	111.5	S68 G74 H75 L91 L93 M189 I206 I266	S68-V72 WeakPolarHBondContact O-CB 3.26Å; S68-V72 WeakPolarHBondContact O-CG2 3.36Å; S68-V72 PolarHBondContact O-N 3.33Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 2.74Å; V72-H75 PolarHBondContact O-N 3.01Å; V72-H75 VanDerWaalsContact O-N 3.17Å; V72-L91 HydrophobicContact CG1-CD1 3.48Å; V72-L91 VanDerWaalsContact CG1-CD1 3.48Å; V72-L93 HydrophobicContact CG1-CD1 4.29Å; V72-L93 HydrophobicContact CG1-CD2 4.08Å; V72-L93 WeakPolarHBondContact O-CD2 3.48Å; V72-M189 HydrophobicContact CB-CE 4.31Å; V72-M189 HydrophobicContact CG1-CE 4.47Å; V72-M189 HydrophobicContact CG2-CE 4.17Å; V72-I206 HydrophobicContact CG2-CG1 4.3Å; V72-I206 HydrophobicContact CG2-CG2 4.04Å; V72-I266 HydrophobicContact CG2-CD1 4.09Å
73	Y	98.6	Very high	98	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-27.4	-178.3	-53.9	-27.4	0	0	0	112.5	V57 L61 L65 E69 I71 H75 L76 I84 L91	V57-Y73 HydrophobicContact CG1-CD2 3.77Å; V57-Y73 HydrophobicContact CG1-CG 4.11Å; L61-Y73 HydrophobicContact CD1-CD2 4.39Å; L61-Y73 HydrophobicContact CD1-CE2 4.14Å; L65-Y73 HydrophobicContact CD2-CD2 4.49Å; L65-Y73 HydrophobicContact CD2-CE2 4.46Å; E69-Y73 HydrophobicContact CB-CD2 3.81Å; E69-Y73 HydrophobicContact CB-CE2 3.46Å; E69-Y73 VanDerWaalsContact CB-CE2 3.46Å; E69-Y73 HydrophobicContact CG-CD2 4.32Å; E69-Y73 HydrophobicContact CG-CE2 3.47Å; E69-Y73 VanDerWaalsContact CG-CE2 3.47Å; E69-Y73 WeakPolarHBondContact O-CB 3.49Å; E69-Y73 WeakPolarHBondContact O-CD2 3.5Å; E69-Y73 PolarHBondContact O-N 3.46Å; E69-Y73 WeakPolarHBondContact OE1-CE2 3.4Å; E69-Y73 PolarHBondContact OE1-OH 3.19Å; I71-Y73 PolarHBondContact O-N 3.05Å; Y73-H75 PolarHBondContact O-N 3.36Å; Y73-L76 HydrophobicContact CD1-CD1 4.4Å; Y73-L76 WeakPolarHBondContact O-CB 3.44Å; Y73-L76 WeakPolarHBondContact O-CG 3.5Å; Y73-L76 PolarHBondContact O-N 2.73Å; Y73-I84 HydrophobicContact CD1-CD1 4.23Å; Y73-I84 HydrophobicContact CD1-CG2 4.31Å; Y73-I84 HydrophobicContact CD2-CD1 4.44Å; Y73-I84 HydrophobicContact CE1-CG2 3.58Å; Y73-I84 HydrophobicContact CE2-CG2 3.86Å; Y73-I84 HydrophobicContact CG-CD1 4.22Å; Y73-I84 WeakPolarHBondContact OH-CG2 3.45Å; Y73-L91 HydrophobicContact CD1-CD1 4.17Å; Y73-L91 HydrophobicContact CE1-CD1 3.85Å
74	G	98.5	Very high	98	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-20.2	169.9	0	0	0	0	0	113.8	N53 K70 I71 V72	N53-G74 WeakPolarHBondContact CB-O 3.41Å; N53-G74 PolarHBondContact ND2-O 2.84Å; K70-G74 WeakPolarHBondContact O-CA 3.48Å; K70-G74 PolarHBondContact O-N 3.2Å; I71-G74 PolarHBondContact O-N 2.76Å; V72-G74 VanDerWaalsContact C-N 3.32Å; V72-G74 PolarHBondContact O-N 2.74Å
75	H	98.7	Very high	97.9	Very high	18 Å²	18	24.5 Å²	24.5	8%	0.083	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	13.8	179.6	-68.9	78.7	0	0	0	114	I71 V72 Y73 L93 R94 D96 G187 M189	I71-H75 PolarHBondContact O-N 2.91Å; I71-H75 PolarHBondContact O-ND1 3.46Å; V72-H75 PolarHBondContact O-N 3.01Å; V72-H75 VanDerWaalsContact O-N 3.17Å; Y73-H75 PolarHBondContact O-N 3.36Å; H75-L93 HydrophobicContact CB-CD2 4.43Å; H75-L93 CarbonylContact O-C 3.56Å; H75-L93 WeakPolarHBondContact O-CA 3.4Å; H75-R94 PolarHBondContact O-N 2.89Å; H75-D96 IonicContact CD2-OD1 2.62Å; H75-D96 IonicContact CD2-OD2 2.62Å; H75-D96 IonicContact NE2-OD1 2.94Å; H75-D96 IonicContact NE2-OD2 2.77Å; H75-D96 PolarHBondContact NE2-OD2 3.44Å; H75-D96 VanDerWaalsContact NE2-OD2 3.12Å; H75-G187 PolarHBondContact CE1-O 2.77Å; H75-M189 HydrophobicContact CB-CB 4.36Å; H75-M189 HydrophobicContact CB-CE 3.64Å; H75-M189 HydrophobicContact CB-SD 3.66Å
76	L	98.6	Very high	97.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-62.9	140.2	173.3	-73.6	169.6	0	0	0	111.6	V57 Y73 D78 P79 Q82 I84 L91 R92 L93	V57-L76 HydrophobicContact CG2-CD1 4.12Å; Y73-L76 HydrophobicContact CD1-CD1 4.4Å; Y73-L76 WeakPolarHBondContact O-CB 3.44Å; Y73-L76 WeakPolarHBondContact O-CG 3.5Å; Y73-L76 PolarHBondContact O-N 2.73Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-P79 HydrophobicContact CB-CB 4.28Å; L76-Q82 HydrophobicContact CD1-CB 4.1Å; L76-Q82 HydrophobicContact CD1-CG 4.02Å; L76-Q82 HydrophobicContact CD2-CB 4.28Å; L76-Q82 HydrophobicContact CD2-CG 3.66Å; L76-Q82 HydrophobicContact CG-CG 4.45Å; L76-I84 HydrophobicContact CD1-CD1 3.86Å; L76-I84 HydrophobicContact CD1-CG1 4.42Å; L76-L91 HydrophobicContact CD2-CB 3.99Å; L76-L91 HydrophobicContact CD2-CD2 4.34Å; L76-R92 WeakPolarHBondContact CA-O 3.47Å; L76-R92 WeakPolarHBondContact CD2-O 3.5Å; L76-L93 HydrophobicContact CD2-CD2 3.83Å; L76-L93 HydrophobicContact CG-CD2 4.31Å
77	D	97.9	Very high	97.6	Very high	67 Å²	67	27.5 Å²	27.5	36%	0.358	17%	0.165	S	C	.	.	S	Bend	trans	-68.1	-36.6	172.8	-170.4	59.6	0	0	0	111.4	R92 R94	D77-R92 HydrophobicContact CB-CB 4.45Å; D77-R92 PolarHBondContact N-O 3.02Å; D77-R94 HydrophobicContact CB-CG 4.16Å; D77-R94 IonicContact OD1-CZ 2.72Å; D77-R94 VanDerWaalsContact OD1-CZ 3.29Å; D77-R94 IonicContact OD1-NE 3.36Å; D77-R94 PolarHBondContact OD1-NE 3.01Å; D77-R94 IonicContact OD1-NH2 3.6Å; D77-R94 PolarHBondContact OD1-NH2 2.85Å; D77-R94 IonicContact OD2-NH2 3.2Å
78	D	97.7	Very high	97.2	Very high	60 Å²	60	35.1 Å²	35.1	32%	0.321	19%	0.194	S	C	.	.			trans	-132.7	83.4	175.6	176.3	12.5	0	0	0	110.7	L76 A80 G81 Q82	L76-D78 VanDerWaalsContact C-N 3.34Å; D78-A80 PolarHBondContact O-N 3.32Å; D78-A80 PolarHBondContact OD1-N 3.36Å; D78-G81 PolarHBondContact OD1-N 3.03Å; D78-G81 WeakPolarHBondContact OD2-CA 3.43Å; D78-G81 PolarHBondContact OD2-N 3.32Å; D78-Q82 WeakPolarHBondContact O-CB 3.34Å; D78-Q82 PolarHBondContact O-N 3.23Å
79	P	97.2	Very high	97	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.084	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	-178.6	29.3	-37.8	0	0	0	113.4	N53 I56 V57 R60 L76	N53-P79 HydrophobicContact CB-CB 4.3Å; N53-P79 HydrophobicContact CB-CG 4.4Å; I56-P79 HydrophobicContact CB-CB 4.38Å; I56-P79 HydrophobicContact CD1-CG 3.96Å; I56-P79 HydrophobicContact CG2-CB 4.15Å; I56-P79 HydrophobicContact CG2-CG 4.48Å; V57-P79 HydrophobicContact CG2-CB 3.93Å; R60-P79 WeakPolarHBondContact CD-O 3.25Å; R60-P79 PolarHBondContact NH1-O 2.91Å; L76-P79 HydrophobicContact CB-CB 4.28Å
80	A	97	Very high	96.8	Very high	61 Å²	61	37.1 Å²	37.1	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-40.3	-179.2	0	0	0	0	0	112.2	I56 R60 D78	I56-A80 HydrophobicContact CG2-CB 4.32Å; R60-A80 PolarHBondContact NE-O 3.49Å; R60-A80 PolarHBondContact NH1-O 3.14Å; D78-A80 PolarHBondContact O-N 3.32Å; D78-A80 PolarHBondContact OD1-N 3.36Å
81	G	95.3	Very high	96.7	Very high	45 Å²	45	37 Å²	37	46%	0.464	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-17.1	-176.9	0	0	0	0	0	115.5	D78 E83	D78-G81 PolarHBondContact OD1-N 3.03Å; D78-G81 WeakPolarHBondContact OD2-CA 3.43Å; D78-G81 PolarHBondContact OD2-N 3.32Å; G81-E83 PolarHBondContact O-N 3.43Å
82	Q	96.2	Very high	96.7	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.22	C	C	.	.			trans	-63.2	128.1	-176.9	178.9	71.2	53	0	0	112.5	R60 L76 D78 I84 Y90 L91	R60-Q82 VanDerWaalsContact CZ-O 3.31Å; R60-Q82 PolarHBondContact NH1-O 3.43Å; R60-Q82 PolarHBondContact NH2-O 3.2Å; L76-Q82 HydrophobicContact CD1-CB 4.1Å; L76-Q82 HydrophobicContact CD1-CG 4.02Å; L76-Q82 HydrophobicContact CD2-CB 4.28Å; L76-Q82 HydrophobicContact CD2-CG 3.66Å; L76-Q82 HydrophobicContact CG-CG 4.45Å; D78-Q82 WeakPolarHBondContact O-CB 3.34Å; D78-Q82 PolarHBondContact O-N 3.23Å; Q82-I84 HydrophobicContact CG-CG1 4.07Å; Q82-Y90 PolarHBondContact NE2-O 3.38Å; Q82-L91 HydrophobicContact CG-CD2 4.14Å
83	E	96.2	Very high	96.6	Very high	132 Å²	132	41.6 Å²	41.6	62%	0.617	22%	0.219	S	C	*	.			trans	-73.5	130	165.4	-65.4	-166.4	157.3	0	0	110.9	G81 T89	G81-E83 PolarHBondContact O-N 3.43Å; E83-T89 HydrophobicContact CB-CG2 3.87Å; E83-T89 WeakPolarHBondContact O-CB 3.39Å; E83-T89 PolarHBondContact O-OG1 3.04Å
84	I	97.7	Very high	96.6	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.138	23%	0.233	C	C	.	.			trans	-124.8	110.2	-175.3	-60	172.4	0	0	0	108.3	V57 L61 Y73 L76 Q82 L91	V57-I84 HydrophobicContact CG1-CD1 3.67Å; V57-I84 HydrophobicContact CG2-CD1 4.23Å; L61-I84 HydrophobicContact CD1-CD1 4.45Å; L61-I84 HydrophobicContact CD1-CG2 4.35Å; L61-I84 HydrophobicContact CD2-CB 4.49Å; Y73-I84 HydrophobicContact CD1-CD1 4.23Å; Y73-I84 HydrophobicContact CD1-CG2 4.31Å; Y73-I84 HydrophobicContact CD2-CD1 4.44Å; Y73-I84 HydrophobicContact CE1-CG2 3.58Å; Y73-I84 HydrophobicContact CE2-CG2 3.86Å; Y73-I84 HydrophobicContact CG-CD1 4.22Å; Y73-I84 WeakPolarHBondContact OH-CG2 3.45Å; L76-I84 HydrophobicContact CD1-CD1 3.86Å; L76-I84 HydrophobicContact CD1-CG1 4.42Å; Q82-I84 HydrophobicContact CG-CG1 4.07Å; I84-L91 HydrophobicContact CG1-CD2 4.25Å
85	D	96.1	Very high	96.6	Very high	62 Å²	62	45.4 Å²	45.4	33%	0.332	23%	0.234	S	C	.	.			trans	-148.8	115.5	176.3	-170.4	-6.2	0	0	0	110.1	G87 R88 T89 C228	D85-G87 PolarHBondContact O-N 3.12Å; D85-R88 HydrophobicContact CB-CB 4.26Å; D85-R88 PolarHBondContact O-N 3.33Å; D85-R88 IonicContact OD2-CZ 3.67Å; D85-R88 IonicContact OD2-NE 2.75Å; D85-R88 PolarHBondContact OD2-NE 3Å; D85-R88 IonicContact OD2-NH2 3.84Å; D85-R88 PolarHBondContact OD2-NH2 2.86Å; D85-T89 HydrophobicContact CB-CG2 3.83Å; D85-T89 PolarHBondContact N-OG1 3.43Å; D85-T89 PolarHBondContact O-N 2.82Å; D85-T89 VanDerWaalsContact O-N 3.14Å; D85-T89 PolarHBondContact O-OG1 3.34Å; D85-C228 VanDerWaalsContact O-CB 3.29Å; D85-C228 WeakPolarHBondContact O-CB 3.32Å
86	R	97.3	Very high	96.6	Very high	37 Å²	37	46.3 Å²	46.3	14%	0.14	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	127.7	-173.2	-64.9	-171.2	-176	170.5	4.3	110.1	E69 R88 P229 K230 E335 D337	E69-R86 IonicContact OE1-CZ 3.74Å; E69-R86 IonicContact OE1-NE 2.76Å; E69-R86 PolarHBondContact OE1-NE 2.94Å; E69-R86 IonicContact OE1-NH2 3.58Å; E69-R86 PolarHBondContact OE1-NH2 2.7Å; E69-R86 VanDerWaalsContact OE1-NH2 3.13Å; E69-R86 IonicContact OE2-CZ 3.01Å; E69-R86 IonicContact OE2-NE 2.97Å; E69-R86 IonicContact OE2-NH2 2.73Å; E69-R86 PolarHBondContact OE2-NH2 3.36Å; R86-R88 VanDerWaalsContact C-N 3.25Å; R86-R88 PolarHBondContact O-N 3.19Å; R86-P229 WeakPolarHBondContact CG-O 3.4Å; R86-K230 HydrophobicContact CB-CG 4.28Å; R86-E335 PolarHBondContact NH1-O 3.14Å; R86-E335 PolarHBondContact NH2-O 2.8Å; R86-D337 VanDerWaalsContact CD-OD2 3.32Å; R86-D337 WeakPolarHBondContact CD-OD2 3.29Å; R86-D337 IonicContact CZ-OD2 3.2Å; R86-D337 IonicContact NE-OD2 3.31Å; R86-D337 IonicContact NH1-OD2 2.71Å; R86-D337 PolarHBondContact NH1-OD2 3.31Å
87	G	93	Very high	96.6	Very high	26 Å²	26	46.2 Å²	46.2	27%	0.268	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	0.6	-179.7	0	0	0	0	0	115.2	D85 K227 C228	D85-G87 PolarHBondContact O-N 3.12Å; G87-K227 WeakPolarHBondContact O-CE 3.48Å; G87-K227 PolarHBondContact O-NZ 3.31Å; G87-C228 WeakPolarHBondContact CA-O 3.2Å; G87-C228 PolarHBondContact N-O 3.23Å
88	R	92.3	Very high	96.7	Very high	161 Å²	161	43 Å²	43	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-56.2	-176.2	-169.4	172.1	65.2	112.4	3.1	114.2	D85 R86	D85-R88 HydrophobicContact CB-CB 4.26Å; D85-R88 PolarHBondContact O-N 3.33Å; D85-R88 IonicContact OD2-CZ 3.67Å; D85-R88 IonicContact OD2-NE 2.75Å; D85-R88 PolarHBondContact OD2-NE 3Å; D85-R88 IonicContact OD2-NH2 3.84Å; D85-R88 PolarHBondContact OD2-NH2 2.86Å; R86-R88 VanDerWaalsContact C-N 3.25Å; R86-R88 PolarHBondContact O-N 3.19Å
89	T	93.9	Very high	96.7	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-80.9	157	-172.8	59.4	0	0	0	0	112.3	E83 D85 K227 C228	E83-T89 HydrophobicContact CB-CG2 3.87Å; E83-T89 WeakPolarHBondContact O-CB 3.39Å; E83-T89 PolarHBondContact O-OG1 3.04Å; D85-T89 HydrophobicContact CB-CG2 3.83Å; D85-T89 PolarHBondContact N-OG1 3.43Å; D85-T89 PolarHBondContact O-N 2.82Å; D85-T89 VanDerWaalsContact O-N 3.14Å; D85-T89 PolarHBondContact O-OG1 3.34Å; T89-K227 CarbonylContact O-C 3.55Å; T89-K227 WeakPolarHBondContact O-CA 2.84Å; T89-C228 WeakPolarHBondContact O-CB 3.36Å; T89-C228 PolarHBondContact O-N 3.05Å
90	Y	94.7	Very high	96.8	Very high	35 Å²	35	39.5 Å²	39.5	14%	0.137	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.3	167.5	-74.8	-91.9	0	0	0	109.4	Q82 E225 K227 E700 K704 T761 N763	Q82-Y90 PolarHBondContact NE2-O 3.38Å; Y90-E225 HydrophobicContact CD1-CB 4.43Å; Y90-K227 HydrophobicContact CD1-CB 4.19Å; Y90-K227 HydrophobicContact CE1-CB 3.9Å; Y90-E700 PolarHBondContact OH-OE2 2.97Å; Y90-K704 PolarHBondContact OH-NZ 3.35Å; Y90-T761 WeakPolarHBondContact CE2-O 3.35Å; Y90-T761 PolarHBondContact OH-O 3.24Å; Y90-N763 HydrophobicContact CD2-CB 4.16Å; Y90-N763 HydrophobicContact CE2-CB 4.46Å
91	L	96.9	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.9	176.2	-53.6	-179.4	0	0	0	109.3	V72 Y73 L76 Q82 I84 L93 E225 L226 C228	V72-L91 HydrophobicContact CG1-CD1 3.48Å; V72-L91 VanDerWaalsContact CG1-CD1 3.48Å; Y73-L91 HydrophobicContact CD1-CD1 4.17Å; Y73-L91 HydrophobicContact CE1-CD1 3.85Å; L76-L91 HydrophobicContact CD2-CB 3.99Å; L76-L91 HydrophobicContact CD2-CD2 4.34Å; Q82-L91 HydrophobicContact CG-CD2 4.14Å; I84-L91 HydrophobicContact CG1-CD2 4.25Å; L91-L93 HydrophobicContact CB-CD1 4.34Å; L91-L93 HydrophobicContact CB-CD2 4.26Å; L91-L93 HydrophobicContact CB-CG 4.07Å; L91-E225 CarbonylContact O-C 3.57Å; L91-E225 VanDerWaalsContact O-CA 3.3Å; L91-E225 WeakPolarHBondContact O-CA 3.5Å; L91-L226 WeakPolarHBondContact CB-O 3.37Å; L91-L226 PolarHBondContact N-O 2.7Å; L91-L226 PolarHBondContact O-N 2.88Å; L91-C228 HydrophobicContact CD1-CB 4.07Å; L91-C228 HydrophobicContact CD2-CB 4.02Å; L91-C228 HydrophobicContact CG-CB 3.88Å
92	R	97.5	Very high	96.9	Very high	98 Å²	98	34.8 Å²	34.8	37%	0.37	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.6	171.5	-66.6	173.7	-64.5	169.4	5.2	109.1	L76 D77 P223 E225	L76-R92 WeakPolarHBondContact CA-O 3.47Å; L76-R92 WeakPolarHBondContact CD2-O 3.5Å; D77-R92 HydrophobicContact CB-CB 4.45Å; D77-R92 PolarHBondContact N-O 3.02Å; R92-P223 HydrophobicContact CB-CB 4.14Å; R92-E225 HydrophobicContact CG-CG 4.38Å
93	L	98.4	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.4	-167.1	-63.9	170.4	0	0	0	112	V72 H75 L76 L91 M189 W224 L226	V72-L93 HydrophobicContact CG1-CD1 4.29Å; V72-L93 HydrophobicContact CG1-CD2 4.08Å; V72-L93 WeakPolarHBondContact O-CD2 3.48Å; H75-L93 HydrophobicContact CB-CD2 4.43Å; H75-L93 CarbonylContact O-C 3.56Å; H75-L93 WeakPolarHBondContact O-CA 3.4Å; L76-L93 HydrophobicContact CD2-CD2 3.83Å; L76-L93 HydrophobicContact CG-CD2 4.31Å; L91-L93 HydrophobicContact CB-CD1 4.34Å; L91-L93 HydrophobicContact CB-CD2 4.26Å; L91-L93 HydrophobicContact CB-CG 4.07Å; L93-M189 HydrophobicContact CB-SD 3.99Å; L93-M189 HydrophobicContact CD1-CE 4.08Å; L93-M189 HydrophobicContact CD1-SD 4.08Å; L93-M189 HydrophobicContact CD2-CE 4.14Å; L93-M189 HydrophobicContact CD2-SD 4.38Å; L93-M189 HydrophobicContact CG-SD 4.39Å; L93-W224 HydrophobicContact CB-CE3 3.97Å; L93-W224 HydrophobicContact CD1-CE3 3.83Å; L93-W224 HydrophobicContact CD1-CZ3 3.67Å; L93-W224 PolarHBondContact N-O 3.01Å; L93-W224 PolarHBondContact O-N 2.97Å; L93-L226 HydrophobicContact CD1-CB 3.64Å; L93-L226 HydrophobicContact CD1-CD2 3.83Å; L93-L226 HydrophobicContact CD1-CG 4.38Å
94	R	98.3	Very high	96.8	Very high	80 Å²	80	28.5 Å²	28.5	30%	0.302	13%	0.129	S	C	.	.			trans	-121.2	87.2	173.3	-66.1	-62.5	-170	167.8	1.6	110.2	H75 D77 G221	H75-R94 PolarHBondContact O-N 2.89Å; D77-R94 HydrophobicContact CB-CG 4.16Å; D77-R94 IonicContact OD1-CZ 2.72Å; D77-R94 VanDerWaalsContact OD1-CZ 3.29Å; D77-R94 IonicContact OD1-NE 3.36Å; D77-R94 PolarHBondContact OD1-NE 3.01Å; D77-R94 IonicContact OD1-NH2 3.6Å; D77-R94 PolarHBondContact OD1-NH2 2.85Å; D77-R94 IonicContact OD2-NH2 3.2Å; R94-G221 VanDerWaalsContact NH1-C 3.3Å; R94-G221 PolarHBondContact NH1-O 2.97Å
95	P	98.5	Very high	96.8	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.045	12%	0.122	C	C	.	.			trans	-59.9	143.6	172.2	-25.1	37.3	0	0	0	111.5	M189 I191 V218 W224	P95-M189 CarbonylContact C-O 3.55Å; P95-M189 WeakPolarHBondContact CA-O 3.21Å; P95-M189 HydrophobicContact CB-CG 4.05Å; P95-M189 HydrophobicContact CG-CG 4.24Å; P95-M189 HydrophobicContact CG-SD 4.14Å; P95-I191 HydrophobicContact CB-CG1 4.18Å; P95-I191 HydrophobicContact CB-CG2 4.18Å; P95-I191 HydrophobicContact CG-CG1 4.34Å; P95-I191 HydrophobicContact CG-CG2 3.87Å; P95-V218 HydrophobicContact CB-CG1 4.13Å; P95-V218 HydrophobicContact CG-CG1 4.34Å; P95-V218 HydrophobicContact CG-CG2 3.9Å; P95-W224 HydrophobicContact CG-CB 4.32Å; P95-W224 HydrophobicContact CG-CD2 4.34Å; P95-W224 HydrophobicContact CG-CE3 3.69Å; P95-W224 HydrophobicContact CG-CZ3 4.4Å
96	D	98.5	Very high	96.8	Very high	36 Å²	36	24.2 Å²	24.2	19%	0.193	11%	0.107	C	C	.	.	S	Bend	trans	-74.4	-30.3	-178.9	-58.1	-63.1	0	0	0	112.2	M36 H75 V188 M189	M36-D96 HydrophobicContact CE-CB 3.73Å; H75-D96 IonicContact CD2-OD1 2.62Å; H75-D96 IonicContact CD2-OD2 2.62Å; H75-D96 IonicContact NE2-OD1 2.94Å; H75-D96 IonicContact NE2-OD2 2.77Å; H75-D96 PolarHBondContact NE2-OD2 3.44Å; H75-D96 VanDerWaalsContact NE2-OD2 3.12Å; D96-V188 HydrophobicContact CB-CG2 4.08Å; D96-M189 PolarHBondContact N-O 2.89Å; D96-M189 PolarHBondContact OD2-N 2.8Å
97	R	98.4	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	160.9	-177.6	68.8	177.3	-63.8	128.5	4.7	114	M36 E40 P123 T125 Y183 L190 I191	M36-R97 HydrophobicContact CE-CB 4.26Å; E40-R97 IonicContact OE2-NH1 2.7Å; E40-R97 PolarHBondContact OE2-NH1 2.8Å; E40-R97 VanDerWaalsContact OE2-NH1 3.12Å; R97-P123 VanDerWaalsContact CA-O 3.25Å; R97-P123 WeakPolarHBondContact CA-O 3.46Å; R97-P123 HydrophobicContact CB-CB 4.21Å; R97-P123 VanDerWaalsContact CB-O 3.25Å; R97-P123 WeakPolarHBondContact CB-O 3.45Å; R97-T125 VanDerWaalsContact NH2-CG2 3.32Å; R97-T125 PolarHBondContact NH2-OG1 2.96Å; R97-Y183 VanDerWaalsContact NH2-CD1 3.29Å; R97-L190 HydrophobicContact CG-CB 4.16Å; R97-L190 HydrophobicContact CG-CD1 3.75Å; R97-L190 HydrophobicContact CG-CG 3.79Å; R97-I191 PolarHBondContact O-N 2.79Å
98	V	98.8	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.4	175.8	178.8	0	0	0	0	109.7	M100 V122 P123 S124 T125 I191 A215 V218 M219	V98-M100 HydrophobicContact CG1-CG 4.1Å; V98-V122 HydrophobicContact CG2-CG2 3.84Å; V98-P123 PolarHBondContact N-O 2.88Å; V98-S124 VanDerWaalsContact O-CA 3.26Å; V98-S124 WeakPolarHBondContact O-CA 3.43Å; V98-T125 PolarHBondContact O-N 3.09Å; V98-T125 VanDerWaalsContact O-N 3.09Å; V98-I191 CarbonylContact C-O 3.49Å; V98-I191 WeakPolarHBondContact CA-O 3.4Å; V98-I191 HydrophobicContact CG2-CD1 4.09Å; V98-I191 HydrophobicContact CG2-CG1 3.95Å; V98-A215 HydrophobicContact CG1-CB 3.74Å; V98-V218 HydrophobicContact CG2-CB 3.91Å; V98-V218 HydrophobicContact CG2-CG1 3.69Å; V98-M219 HydrophobicContact CB-CG 4.26Å; V98-M219 HydrophobicContact CG1-CG 4.25Å; V98-M219 HydrophobicContact CG1-SD 4.37Å; V98-M219 HydrophobicContact CG2-CG 4.02Å
99	A	98.7	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.9	169.1	0	0	0	0	0	110.8	I175 I179 L190 I191 G192 T193	A99-I175 HydrophobicContact CB-CD1 4.05Å; A99-I179 HydrophobicContact CB-CD1 3.58Å; A99-I179 HydrophobicContact CB-CG1 4.3Å; A99-L190 HydrophobicContact CB-CD2 4.5Å; A99-I191 PolarHBondContact N-O 2.97Å; A99-G192 CarbonylContact O-C 3.5Å; A99-G192 WeakPolarHBondContact O-CA 3.46Å; A99-T193 PolarHBondContact O-N 2.82Å
100	M	98.5	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.4	-178.1	-60.7	175.8	-78.7	0	0	110.6	V98 A105 A108 M109 T125 I126 H127 V165 T193 M219	V98-M100 HydrophobicContact CG1-CG 4.1Å; M100-A105 HydrophobicContact CB-CB 3.8Å; M100-A108 HydrophobicContact SD-CB 3.75Å; M100-M109 HydrophobicContact CE-SD 3.9Å; M100-M109 HydrophobicContact SD-SD 4.44Å; M100-T125 PolarHBondContact N-O 2.72Å; M100-I126 HydrophobicContact CB-CG1 4.28Å; M100-I126 HydrophobicContact CE-CD1 4.3Å; M100-I126 HydrophobicContact CE-CG1 3.84Å; M100-I126 CarbonylContact O-C 3.53Å; M100-I126 VanDerWaalsContact O-CA 3.27Å; M100-I126 WeakPolarHBondContact O-CA 3.48Å; M100-H127 PolarHBondContact O-CD2 3.22Å; M100-H127 PolarHBondContact O-N 2.99Å; M100-V165 HydrophobicContact CE-CG1 4.2Å; M100-T193 VanDerWaalsContact CA-OG1 3.31Å; M100-T193 WeakPolarHBondContact CA-OG1 3.39Å; M100-T193 HydrophobicContact CG-CG2 3.89Å; M100-M219 HydrophobicContact CE-CE 4.12Å; M100-M219 HydrophobicContact CE-SD 3.61Å; M100-M219 HydrophobicContact SD-CE 3.94Å; M100-M219 HydrophobicContact SD-SD 4.18Å
101	Q	97.4	Very high	97.4	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.028	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150	172.6	49	75.7	4.3	0	0	110.2	A103 T104 A105 H127 D129 H130 I175 T193 D194	Q101-A103 VanDerWaalsContact C-N 3.27Å; Q101-A103 PolarHBondContact O-N 3.46Å; Q101-A103 VanDerWaalsContact O-N 3.11Å; Q101-A103 VanDerWaalsContact OE1-CA 3.28Å; Q101-A103 VanDerWaalsContact OE1-CB 3.23Å; Q101-T104 PolarHBondContact NE2-OG1 2.87Å; Q101-T104 PolarHBondContact O-N 2.73Å; Q101-T104 PolarHBondContact O-OG1 3.31Å; Q101-T104 VanDerWaalsContact OE1-N 3.12Å; Q101-A105 WeakPolarHBondContact O-CB 3.45Å; Q101-A105 PolarHBondContact O-N 3.42Å; Q101-H127 CarbonylContact C-O 3.56Å; Q101-H127 WeakPolarHBondContact CA-O 3.42Å; Q101-D129 WeakPolarHBondContact CB-OD1 3.25Å; Q101-H130 VanDerWaalsContact CG-CE1 3.45Å; Q101-H130 WeakPolarHBondContact CG-CE1 3.19Å; Q101-H130 PolarHBondContact OE1-ND1 3.08Å; Q101-I175 HydrophobicContact CB-CB 4.38Å; Q101-I175 HydrophobicContact CB-CD1 3.98Å; Q101-I175 HydrophobicContact CB-CG2 4.26Å; Q101-I175 HydrophobicContact CG-CD1 4.38Å; Q101-T193 PolarHBondContact NE2-O 3.21Å; Q101-D194 HydrophobicContact CG-CB 4.12Å
102	D	97.4	Very high	97.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-55.5	-29.4	-168.3	59.3	-14.2	0	0	0	115.8	Q106 H127 C128 D129 H130 L131 L156	D102-Q106 WeakPolarHBondContact O-CG 3.21Å; D102-Q106 PolarHBondContact O-NE2 3.19Å; D102-H127 PolarHBondContact N-O 3.02Å; D102-C128 HydrophobicContact CB-CB 4.41Å; D102-D129 PolarHBondContact OD1-N 2.56Å; D102-D129 PolarHBondContact OD2-N 2.95Å; D102-H130 WeakPolarHBondContact OD1-CA 3.41Å; D102-H130 WeakPolarHBondContact OD1-CB 3.38Å; D102-H130 IonicContact OD1-CG 3.41Å; D102-H130 PolarHBondContact OD1-N 3.44Å; D102-H130 IonicContact OD1-ND1 3.58Å; D102-L131 HydrophobicContact CB-CD1 4.43Å; D102-L131 WeakPolarHBondContact OD2-CB 3.41Å; D102-L131 VanDerWaalsContact OD2-CG 3.3Å; D102-L131 WeakPolarHBondContact OD2-CG 3.45Å; D102-L131 PolarHBondContact OD2-N 2.84Å; D102-L156 HydrophobicContact CB-CD1 3.63Å
103	A	94.8	Very high	97.1	Very high	3 Å²	3	8.5 Å²	8.5	3%	0.025	4%	0.04	C	C	.	.	H	α-helix	trans	-73.6	-23.1	174.9	0	0	0	0	0	114	Q101 H130 L607 R610	Q101-A103 VanDerWaalsContact C-N 3.27Å; Q101-A103 PolarHBondContact O-N 3.46Å; Q101-A103 VanDerWaalsContact O-N 3.11Å; Q101-A103 VanDerWaalsContact OE1-CA 3.28Å; Q101-A103 VanDerWaalsContact OE1-CB 3.23Å; A103-H130 HydrophobicContact CB-CB 3.68Å; A103-L607 HydrophobicContact CB-CD2 4.26Å; A103-R610 HydrophobicContact CB-CG 4.3Å; A103-R610 VanDerWaalsContact O-CB 3.28Å; A103-R610 WeakPolarHBondContact O-CB 3.39Å; A103-R610 WeakPolarHBondContact O-CD 3.44Å; A103-R610 WeakPolarHBondContact O-CG 3.34Å
104	T	95.1	Very high	96.7	Very high	7 Å²	7	9.6 Å²	9.6	4%	0.043	5%	0.048	C	C	.	.	H	α-helix	trans	-109.5	-25.7	174.7	51.1	0	0	0	0	113.4	Q101 Q106 M107 A108 T193	Q101-T104 PolarHBondContact NE2-OG1 2.87Å; Q101-T104 PolarHBondContact O-N 2.73Å; Q101-T104 PolarHBondContact O-OG1 3.31Å; Q101-T104 VanDerWaalsContact OE1-N 3.12Å; T104-Q106 PolarHBondContact O-N 3.19Å; T104-M107 PolarHBondContact O-N 2.8Å; T104-A108 PolarHBondContact O-N 2.98Å; T104-A108 VanDerWaalsContact O-N 3.07Å; T104-T193 WeakPolarHBondContact OG1-CB 3.38Å; T104-T193 PolarHBondContact OG1-O 2.92Å; T104-T193 PolarHBondContact OG1-OG1 3.08Å
105	A	97.6	Very high	96.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.4	-33.9	177.1	0	0	0	0	0	111.7	M100 Q101 M107 A108 M109 I126 L156	M100-A105 HydrophobicContact CB-CB 3.8Å; Q101-A105 WeakPolarHBondContact O-CB 3.45Å; Q101-A105 PolarHBondContact O-N 3.42Å; A105-M107 PolarHBondContact O-N 2.98Å; A105-A108 PolarHBondContact O-N 3.24Å; A105-M109 VanDerWaalsContact O-CB 3.28Å; A105-M109 WeakPolarHBondContact O-CB 3.3Å; A105-M109 VanDerWaalsContact O-CG 3.23Å; A105-M109 WeakPolarHBondContact O-CG 3.19Å; A105-M109 PolarHBondContact O-N 3.23Å; A105-I126 HydrophobicContact CB-CD1 4.38Å; A105-I126 HydrophobicContact CB-CG1 4.07Å; A105-I126 HydrophobicContact CB-CG2 4.06Å; A105-L156 HydrophobicContact CB-CD2 3.83Å
106	Q	97.7	Very high	95.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54	-55.6	176.5	-73.8	169.2	77.3	0	0	111.3	D102 T104 L110 V152 L156 L568	D102-Q106 WeakPolarHBondContact O-CG 3.21Å; D102-Q106 PolarHBondContact O-NE2 3.19Å; T104-Q106 PolarHBondContact O-N 3.19Å; Q106-L110 WeakPolarHBondContact O-CD1 3.27Å; Q106-L110 WeakPolarHBondContact O-CG 3.3Å; Q106-L110 PolarHBondContact O-N 3.23Å; Q106-V152 HydrophobicContact CG-CG1 3.74Å; Q106-L156 HydrophobicContact CG-CD2 4.2Å; Q106-L568 HydrophobicContact CG-CD2 4.29Å
107	M	96.8	Very high	95.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-73.4	-36.5	-176.8	-166.7	57.5	66	0	0	112.2	T104 A105 L110 Q111 L571 R610 L613 E675 L679	T104-M107 PolarHBondContact O-N 2.8Å; A105-M107 PolarHBondContact O-N 2.98Å; M107-L110 PolarHBondContact O-N 3.37Å; M107-L110 HydrophobicContact SD-CD1 4.38Å; M107-Q111 WeakPolarHBondContact O-CG 3.35Å; M107-Q111 PolarHBondContact O-N 3.47Å; M107-Q111 PolarHBondContact O-NE2 2.92Å; M107-L571 HydrophobicContact CE-CD2 4.4Å; M107-L571 HydrophobicContact SD-CD1 3.71Å; M107-L571 HydrophobicContact SD-CD2 3.73Å; M107-L571 HydrophobicContact SD-CG 4Å; M107-R610 WeakPolarHBondContact CE-O 3.22Å; M107-L613 HydrophobicContact CE-CB 4.29Å; M107-E675 WeakPolarHBondContact CB-OE1 3.3Å; M107-E675 HydrophobicContact CG-CG 4.38Å; M107-E675 WeakPolarHBondContact CG-OE1 3.4Å; M107-L679 HydrophobicContact CE-CD1 4.42Å; M107-L679 HydrophobicContact CG-CD1 3.54Å; M107-L679 HydrophobicContact SD-CD1 3.96Å
108	A	96.7	Very high	94.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-45.3	174.2	0	0	0	0	0	111.8	M100 T104 A105 Q111 F112 V216	M100-A108 HydrophobicContact SD-CB 3.75Å; T104-A108 PolarHBondContact O-N 2.98Å; T104-A108 VanDerWaalsContact O-N 3.07Å; A105-A108 PolarHBondContact O-N 3.24Å; A108-Q111 PolarHBondContact O-N 3.19Å; A108-F112 PolarHBondContact O-N 2.97Å; A108-V216 VanDerWaalsContact O-CG2 3.23Å; A108-V216 WeakPolarHBondContact O-CG2 3.24Å
109	M	97.6	Very high	94.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-35.7	177.5	-67.8	-51.4	-63.7	0	0	112.2	M100 A105 Q111 F112 I113 I126 F155 Y163 V165	M100-M109 HydrophobicContact CE-SD 3.9Å; M100-M109 HydrophobicContact SD-SD 4.44Å; A105-M109 VanDerWaalsContact O-CB 3.28Å; A105-M109 WeakPolarHBondContact O-CB 3.3Å; A105-M109 VanDerWaalsContact O-CG 3.23Å; A105-M109 WeakPolarHBondContact O-CG 3.19Å; A105-M109 PolarHBondContact O-N 3.23Å; M109-Q111 VanDerWaalsContact C-N 3.34Å; M109-Q111 PolarHBondContact O-N 3.48Å; M109-F112 HydrophobicContact CE-CD1 4.42Å; M109-F112 PolarHBondContact O-N 3.05Å; M109-I113 WeakPolarHBondContact O-CB 3.25Å; M109-I113 WeakPolarHBondContact O-CD1 3.37Å; M109-I113 WeakPolarHBondContact O-CG1 3.42Å; M109-I113 PolarHBondContact O-N 2.79Å; M109-I126 HydrophobicContact CG-CD1 4.01Å; M109-I126 HydrophobicContact SD-CD1 4.27Å; M109-F155 HydrophobicContact CB-CE1 4.28Å; M109-F155 HydrophobicContact CB-CZ 4.15Å; M109-Y163 HydrophobicContact CE-CD2 3.57Å; M109-Y163 HydrophobicContact CE-CE2 4.41Å; M109-Y163 HydrophobicContact CE-CG 4.21Å; M109-V165 HydrophobicContact CE-CG2 4.4Å
110	L	96.4	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-39.7	173.2	-71.5	165.5	0	0	0	112.1	Q106 M107 S114 F155 V561 Q569 L570 L571 G611	Q106-L110 WeakPolarHBondContact O-CD1 3.27Å; Q106-L110 WeakPolarHBondContact O-CG 3.3Å; Q106-L110 PolarHBondContact O-N 3.23Å; M107-L110 PolarHBondContact O-N 3.37Å; M107-L110 HydrophobicContact SD-CD1 4.38Å; L110-S114 WeakPolarHBondContact O-CB 3.19Å; L110-S114 PolarHBondContact O-N 3.13Å; L110-S114 PolarHBondContact O-OG 2.85Å; L110-F155 HydrophobicContact CD2-CE2 4.26Å; L110-F155 HydrophobicContact CD2-CZ 3.93Å; L110-F155 HydrophobicContact CG-CZ 3.99Å; L110-V561 HydrophobicContact CD2-CG2 4.26Å; L110-Q569 WeakPolarHBondContact CD1-O 3.4Å; L110-L570 HydrophobicContact CD2-CD2 3.95Å; L110-L571 HydrophobicContact CB-CD1 4.26Å; L110-L571 HydrophobicContact CB-CG 4.38Å; L110-G611 WeakPolarHBondContact CD1-O 3.44Å
111	Q	94.9	Very high	94.5	Very high	4 Å²	4	24 Å²	24	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-66.8	-41.2	172.5	-71.7	178.3	96.6	0	0	111.5	M107 A108 M109 S114 S115 V216 L571 E675 L776	M107-Q111 WeakPolarHBondContact O-CG 3.35Å; M107-Q111 PolarHBondContact O-N 3.47Å; M107-Q111 PolarHBondContact O-NE2 2.92Å; A108-Q111 PolarHBondContact O-N 3.19Å; M109-Q111 VanDerWaalsContact C-N 3.34Å; M109-Q111 PolarHBondContact O-N 3.48Å; Q111-S114 WeakPolarHBondContact O-CB 3.3Å; Q111-S114 PolarHBondContact O-N 2.97Å; Q111-S115 PolarHBondContact O-N 2.82Å; Q111-S115 VanDerWaalsContact O-N 3.12Å; Q111-V216 HydrophobicContact CB-CG2 3.9Å; Q111-L571 HydrophobicContact CB-CD1 4.48Å; Q111-L571 HydrophobicContact CG-CD1 3.45Å; Q111-L571 VanDerWaalsContact CG-CD1 3.45Å; Q111-E675 PolarHBondContact NE2-OE1 2.93Å; Q111-E675 PolarHBondContact NE2-OE2 3.39Å; Q111-L776 HydrophobicContact CB-CD2 4.35Å; Q111-L776 HydrophobicContact CG-CD2 4.25Å
112	F	95.1	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-45.1	175.6	-169.9	-96.6	0	0	0	112.2	A108 M109 S114 S115 L117 V120 Y163 V216 M219	A108-F112 PolarHBondContact O-N 2.97Å; M109-F112 HydrophobicContact CE-CD1 4.42Å; M109-F112 PolarHBondContact O-N 3.05Å; F112-S114 PolarHBondContact O-N 3.35Å; F112-S115 VanDerWaalsContact O-CB 3.31Å; F112-S115 WeakPolarHBondContact O-CB 3.41Å; F112-S115 PolarHBondContact O-N 2.8Å; F112-S115 PolarHBondContact O-OG 2.81Å; F112-L117 HydrophobicContact CE1-CB 4.4Å; F112-L117 HydrophobicContact CE2-CB 4.28Å; F112-L117 HydrophobicContact CE2-CD1 4.25Å; F112-L117 HydrophobicContact CZ-CB 3.83Å; F112-V120 HydrophobicContact CE1-CG1 4.19Å; F112-V120 HydrophobicContact CE2-CG1 4.21Å; F112-V120 HydrophobicContact CZ-CG1 3.91Å; F112-Y163 HydrophobicContact CD1-CD1 4.02Å; F112-Y163 HydrophobicContact CD1-CD2 4.29Å; F112-Y163 HydrophobicContact CD1-CE1 4.4Å; F112-Y163 AromaticContact CD1-CG 3.95Å; F112-Y163 HydrophobicContact CD1-CG 3.95Å; F112-Y163 AromaticContact CE1-CD1 3.57Å; F112-Y163 HydrophobicContact CE1-CD1 3.57Å; F112-Y163 HydrophobicContact CE1-CE1 4.2Å; F112-Y163 AromaticContact CE1-CG 3.78Å; F112-Y163 HydrophobicContact CE1-CG 3.78Å; F112-V216 HydrophobicContact CB-CG2 4.22Å; F112-V216 HydrophobicContact CD2-CG1 4.3Å; F112-M219 HydrophobicContact CB-CE 4.42Å; F112-M219 HydrophobicContact CD2-CB 3.95Å; F112-M219 HydrophobicContact CD2-CE 4.26Å; F112-M219 HydrophobicContact CE2-CB 3.82Å
113	I	93.4	Very high	94.6	Very high	36 Å²	36	26.5 Å²	26.5	19%	0.185	17%	0.172	C	C	.	.	H	α-helix	trans	-54.2	-42.7	172.5	-71.4	161	0	0	0	109.8	M109 S115 G116 F155 Y163 V559	M109-I113 WeakPolarHBondContact O-CB 3.25Å; M109-I113 WeakPolarHBondContact O-CD1 3.37Å; M109-I113 WeakPolarHBondContact O-CG1 3.42Å; M109-I113 PolarHBondContact O-N 2.79Å; I113-S115 VanDerWaalsContact C-N 3.25Å; I113-S115 PolarHBondContact O-N 2.81Å; I113-G116 PolarHBondContact O-N 2.72Å; I113-G116 VanDerWaalsContact O-N 3.16Å; I113-F155 HydrophobicContact CD1-CE2 3.8Å; I113-F155 HydrophobicContact CD1-CZ 3.92Å; I113-Y163 HydrophobicContact CD1-CE2 4.32Å; I113-Y163 HydrophobicContact CG1-CE2 3.52Å; I113-Y163 WeakPolarHBondContact CG1-OH 3.47Å; I113-V559 HydrophobicContact CD1-CG1 4.05Å
114	S	89.8	Confident	94.8	Very high	23 Å²	23	26.5 Å²	26.5	16%	0.161	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-25.2	179	-61.3	0	0	0	0	113.2	L110 Q111 F112 G116 K780	L110-S114 WeakPolarHBondContact O-CB 3.19Å; L110-S114 PolarHBondContact O-N 3.13Å; L110-S114 PolarHBondContact O-OG 2.85Å; Q111-S114 WeakPolarHBondContact O-CB 3.3Å; Q111-S114 PolarHBondContact O-N 2.97Å; F112-S114 PolarHBondContact O-N 3.35Å; S114-G116 PolarHBondContact O-N 2.84Å; S114-K780 WeakPolarHBondContact O-CE 3.42Å; S114-K780 PolarHBondContact O-NZ 2.81Å
115	S	87.8	Confident	94.9	Very high	11 Å²	11	26.2 Å²	26.2	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-22.7	174.9	77.7	0	0	0	0	113.1	Q111 F112 I113 L117	Q111-S115 PolarHBondContact O-N 2.82Å; Q111-S115 VanDerWaalsContact O-N 3.12Å; F112-S115 VanDerWaalsContact O-CB 3.31Å; F112-S115 WeakPolarHBondContact O-CB 3.41Å; F112-S115 PolarHBondContact O-N 2.8Å; F112-S115 PolarHBondContact O-OG 2.81Å; I113-S115 VanDerWaalsContact C-N 3.25Å; I113-S115 PolarHBondContact O-N 2.81Å; S115-L117 PolarHBondContact O-N 2.77Å; S115-L117 PolarHBondContact OG-N 3.18Å
116	G	87.3	Confident	95	Very high	65 Å²	65	26.2 Å²	26.2	67%	0.67	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	3.6	-176.5	0	0	0	0	0	114.9	I113 S114	I113-G116 PolarHBondContact O-N 2.72Å; I113-G116 VanDerWaalsContact O-N 3.16Å; S114-G116 PolarHBondContact O-N 2.84Å
117	L	89.9	Confident	95	Very high	37 Å²	37	26.2 Å²	26.2	19%	0.194	17%	0.169	C	C	.	.			trans	-69.1	142.2	178.8	-70.2	173.8	0	0	0	112.1	F112 S115 Y163 A220 L783	F112-L117 HydrophobicContact CE1-CB 4.4Å; F112-L117 HydrophobicContact CE2-CB 4.28Å; F112-L117 HydrophobicContact CE2-CD1 4.25Å; F112-L117 HydrophobicContact CZ-CB 3.83Å; S115-L117 PolarHBondContact O-N 2.77Å; S115-L117 PolarHBondContact OG-N 3.18Å; L117-Y163 WeakPolarHBondContact O-CE1 3.37Å; L117-A220 HydrophobicContact CD1-CB 3.39Å; L117-L783 HydrophobicContact CD2-CD1 4.34Å; L117-L783 HydrophobicContact CD2-CD2 4.25Å; L117-L783 HydrophobicContact CG-CD1 4.27Å
118	P	91.6	Very high	95.1	Very high	106 Å²	106	26.2 Å²	26.2	69%	0.688	17%	0.169	S	C	*	.	S	Bend	trans	-78.3	-26.5	-172.9	30.1	-35.6	0	0	0	113.7
119	K	94.2	Very high	95.1	Very high	127 Å²	127	26.2 Å²	26.2	55%	0.552	17%	0.169	S	C	*	.	S	Bend	trans	-158.9	153	-174.8	-165.3	-179.6	178.4	175.5	0	110.4	Y163	K119-Y163 WeakPolarHBondContact CA-O 3.39Å; K119-Y163 WeakPolarHBondContact CG-O 3.09Å
120	V	96.9	Very high	95.1	Very high	15 Å²	15	26.8 Å²	26.8	9%	0.091	17%	0.172	C	C	.	.			trans	-67.9	146.1	172.8	-56.8	0	0	0	0	112.2	F112 V122 Y163 V165 M219	F112-V120 HydrophobicContact CE1-CG1 4.19Å; F112-V120 HydrophobicContact CE2-CG1 4.21Å; F112-V120 HydrophobicContact CZ-CG1 3.91Å; V120-V122 WeakPolarHBondContact CG2-O 3.29Å; V120-Y163 PolarHBondContact N-O 2.77Å; V120-V165 HydrophobicContact CG1-CG2 3.73Å; V120-V165 HydrophobicContact CG2-CG2 4.25Å; V120-M219 CarbonylContact C-O 3.59Å; V120-M219 WeakPolarHBondContact CA-O 3.45Å; V120-M219 HydrophobicContact CB-CB 4.15Å; V120-M219 HydrophobicContact CB-CG 4.25Å; V120-M219 HydrophobicContact CG1-CB 3.93Å; V120-M219 HydrophobicContact CG1-CG 3.95Å; V120-M219 HydrophobicContact CG1-SD 3.76Å
121	A	97	Very high	95.1	Very high	64 Å²	64	27 Å²	27	53%	0.529	17%	0.173	S	C	.	.	S	Bend	trans	-83.3	-25.8	-176.3	0	0	0	0	0	114.1	M219	A121-M219 WeakPolarHBondContact CB-O 3.48Å; A121-M219 PolarHBondContact N-O 2.76Å
122	V	97.3	Very high	95.1	Very high	32 Å²	32	27 Å²	27	19%	0.194	17%	0.173	C	C	.	.	S	Bend	trans	-126.9	155.9	179.5	-58.3	0	0	0	0	110.9	V98 V120 S124 V218	V98-V122 HydrophobicContact CG2-CG2 3.84Å; V120-V122 WeakPolarHBondContact CG2-O 3.29Å; V122-S124 PolarHBondContact O-N 3.29Å; V122-S124 PolarHBondContact O-OG 2.94Å; V122-V218 HydrophobicContact CG1-CG1 4.36Å; V122-V218 HydrophobicContact CG2-CG1 3.65Å
123	P	98.3	Very high	95.1	Very high	27 Å²	27	29.3 Å²	29.3	18%	0.175	18%	0.184	C	C	.	.			trans	-46.3	125.3	171.1	-30.6	37.1	0	0	0	111.8	M36 E40 R97 V98	M36-P123 HydrophobicContact CE-CG 4.28Å; M36-P123 HydrophobicContact SD-CG 4.12Å; E40-P123 HydrophobicContact CG-CB 4.18Å; E40-P123 HydrophobicContact CG-CG 4.48Å; R97-P123 VanDerWaalsContact CA-O 3.25Å; R97-P123 WeakPolarHBondContact CA-O 3.46Å; R97-P123 HydrophobicContact CB-CB 4.21Å; R97-P123 VanDerWaalsContact CB-O 3.25Å; R97-P123 WeakPolarHBondContact CB-O 3.45Å; V98-P123 PolarHBondContact N-O 2.88Å
124	S	98.6	Very high	95.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.3	-174.1	-59.9	0	0	0	0	109.7	V98 V122 V165 G166	V98-S124 VanDerWaalsContact O-CA 3.26Å; V98-S124 WeakPolarHBondContact O-CA 3.43Å; V122-S124 PolarHBondContact O-N 3.29Å; V122-S124 PolarHBondContact O-OG 2.94Å; S124-V165 VanDerWaalsContact O-CG1 3.27Å; S124-V165 WeakPolarHBondContact O-CG1 3.18Å; S124-G166 PolarHBondContact O-N 2.89Å
125	T	98.8	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.3	177.4	49.8	0	0	0	0	112.9	R97 V98 M100 H127 G166 Y183	R97-T125 VanDerWaalsContact NH2-CG2 3.32Å; R97-T125 PolarHBondContact NH2-OG1 2.96Å; V98-T125 PolarHBondContact O-N 3.09Å; V98-T125 VanDerWaalsContact O-N 3.09Å; M100-T125 PolarHBondContact N-O 2.72Å; T125-H127 WeakPolarHBondContact CB-NE2 3.41Å; T125-H127 PolarHBondContact OG1-NE2 3.46Å; T125-G166 CarbonylContact C-O 3.53Å; T125-G166 VanDerWaalsContact CA-O 3.28Å; T125-G166 WeakPolarHBondContact CA-O 3.49Å; T125-Y183 HydrophobicContact CG2-CE1 4.29Å; T125-Y183 HydrophobicContact CG2-CE2 4.17Å
126	I	98.8	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.4	169.4	-68.7	165.7	0	0	0	109	M100 A105 M109 L156 A160 V165 G166 F167 W168	M100-I126 HydrophobicContact CB-CG1 4.28Å; M100-I126 HydrophobicContact CE-CD1 4.3Å; M100-I126 HydrophobicContact CE-CG1 3.84Å; M100-I126 CarbonylContact O-C 3.53Å; M100-I126 VanDerWaalsContact O-CA 3.27Å; M100-I126 WeakPolarHBondContact O-CA 3.48Å; A105-I126 HydrophobicContact CB-CD1 4.38Å; A105-I126 HydrophobicContact CB-CG1 4.07Å; A105-I126 HydrophobicContact CB-CG2 4.06Å; M109-I126 HydrophobicContact CG-CD1 4.01Å; M109-I126 HydrophobicContact SD-CD1 4.27Å; I126-L156 HydrophobicContact CD1-CD2 4.34Å; I126-L156 HydrophobicContact CG2-CB 4.37Å; I126-L156 HydrophobicContact CG2-CD1 4.21Å; I126-A160 HydrophobicContact CD1-CB 4.25Å; I126-V165 HydrophobicContact CD1-CG1 4.07Å; I126-V165 HydrophobicContact CG1-CG1 3.92Å; I126-G166 PolarHBondContact N-O 3.42Å; I126-F167 HydrophobicContact CB-CD2 4.06Å; I126-F167 HydrophobicContact CG2-CD2 3.91Å; I126-F167 HydrophobicContact CG2-CE2 3.99Å; I126-W168 WeakPolarHBondContact O-CB 3.39Å; I126-W168 PolarHBondContact O-N 3.44Å
127	H	98.7	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.2	-179.6	-57.4	-98.5	0	0	0	110.7	M100 Q101 D102 T125 W168 I175	M100-H127 PolarHBondContact O-CD2 3.22Å; M100-H127 PolarHBondContact O-N 2.99Å; Q101-H127 CarbonylContact C-O 3.56Å; Q101-H127 WeakPolarHBondContact CA-O 3.42Å; D102-H127 PolarHBondContact N-O 3.02Å; T125-H127 WeakPolarHBondContact CB-NE2 3.41Å; T125-H127 PolarHBondContact OG1-NE2 3.46Å; H127-W168 AromaticContact CE1-CD1 3.32Å; H127-W168 AromaticContact CE1-NE1 3.66Å; H127-W168 AromaticContact ND1-CD1 3.44Å; H127-W168 AromaticContact ND1-CG 3.72Å; H127-I175 HydrophobicContact CB-CB 3.87Å; H127-I175 HydrophobicContact CB-CG1 4.25Å
128	C	98.3	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.			trans	-97.3	86.7	-178.5	-67.2	0	0	0	0	112.7	D102 Y153 F167 W168 P170	D102-C128 HydrophobicContact CB-CB 4.41Å; C128-Y153 HydrophobicContact CB-CD1 4.29Å; C128-Y153 HydrophobicContact CB-CE1 3.93Å; C128-F167 WeakPolarHBondContact SG-CE2 3.4Å; C128-F167 WeakPolarHBondContact SG-CZ 3.16Å; C128-W168 PolarHBondContact N-O 2.87Å; C128-P170 HydrophobicContact CB-CB 4.21Å; C128-P170 HydrophobicContact CB-CG 3.8Å
129	D	97.3	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.			trans	-134.4	-14.5	-170.7	60.1	-12.4	0	0	0	115	Q101 D102 I174 I175 A449 C450	Q101-D129 WeakPolarHBondContact CB-OD1 3.25Å; D102-D129 PolarHBondContact OD1-N 2.56Å; D102-D129 PolarHBondContact OD2-N 2.95Å; D129-I174 WeakPolarHBondContact OD2-CA 3.21Å; D129-I174 WeakPolarHBondContact OD2-CG2 3.1Å; D129-I175 WeakPolarHBondContact OD2-CG2 3.22Å; D129-I175 PolarHBondContact OD2-N 3.34Å; D129-A449 WeakPolarHBondContact O-CB 3.39Å; D129-C450 PolarHBondContact O-N 3.32Å
130	H	96.3	Very high	95	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.06	18%	0.175	C	C	.	.	S	Bend	trans	-96.2	-11.7	-177.5	-69.2	67.1	0	0	0	114.5	Q101 D102 A103 D194 C450 Q456	Q101-H130 VanDerWaalsContact CG-CE1 3.45Å; Q101-H130 WeakPolarHBondContact CG-CE1 3.19Å; Q101-H130 PolarHBondContact OE1-ND1 3.08Å; D102-H130 WeakPolarHBondContact OD1-CA 3.41Å; D102-H130 WeakPolarHBondContact OD1-CB 3.38Å; D102-H130 IonicContact OD1-CG 3.41Å; D102-H130 PolarHBondContact OD1-N 3.44Å; D102-H130 IonicContact OD1-ND1 3.58Å; A103-H130 HydrophobicContact CB-CB 3.68Å; H130-D194 IonicContact NE2-OD2 2.73Å; H130-C450 VanDerWaalsContact CE1-SG 3.54Å; H130-Q456 WeakPolarHBondContact O-CG 3.21Å
131	L	96.4	Very high	94.9	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-103.8	12.5	-176.1	-58.9	-179.7	0	0	0	114.1	D102 N149 V152 Y153 L607	D102-L131 HydrophobicContact CB-CD1 4.43Å; D102-L131 WeakPolarHBondContact OD2-CB 3.41Å; D102-L131 VanDerWaalsContact OD2-CG 3.3Å; D102-L131 WeakPolarHBondContact OD2-CG 3.45Å; D102-L131 PolarHBondContact OD2-N 2.84Å; L131-N149 HydrophobicContact CD1-CB 4.47Å; L131-N149 PolarHBondContact O-ND2 3.23Å; L131-V152 HydrophobicContact CD1-CB 4.38Å; L131-V152 HydrophobicContact CD1-CG1 3.79Å; L131-Y153 HydrophobicContact CB-CE1 4.25Å; L131-Y153 HydrophobicContact CD1-CE1 4.13Å; L131-L607 HydrophobicContact CD2-CB 3.96Å
132	I	96.3	Very high	94.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	15%	0.153	C	C	.	.			trans	-102.1	104.8	177.3	-56.1	164	0	0	0	109	L142 A145 P170 A447 A449	I132-L142 HydrophobicContact CD1-CD1 3.79Å; I132-L142 HydrophobicContact CG1-CD1 4.41Å; I132-A145 HydrophobicContact CB-CB 4.05Å; I132-A145 HydrophobicContact CG1-CB 3.72Å; I132-A145 HydrophobicContact CG2-CB 4.02Å; I132-P170 HydrophobicContact CD1-CB 4.25Å; I132-A447 HydrophobicContact CG2-CB 3.79Å; I132-A449 HydrophobicContact CB-CB 3.71Å; I132-A449 HydrophobicContact CD1-CB 3.71Å; I132-A449 HydrophobicContact CG1-CB 4.23Å; I132-A449 HydrophobicContact CG2-CB 4.16Å
133	E	94.7	Very high	94.8	Very high	49 Å²	49	30 Å²	30	23%	0.229	17%	0.166	C	C	.	.			trans	-84.3	126.4	178.7	174.5	-174.9	-107.6	0	0	111.8	R144 Q456 D458	E133-R144 VanDerWaalsContact CG-NH2 3.31Å; E133-R144 PolarHBondContact O-NH2 2.82Å; E133-R144 IonicContact OE2-CZ 3.1Å; E133-R144 IonicContact OE2-NH1 3.69Å; E133-R144 PolarHBondContact OE2-NH1 3.37Å; E133-R144 IonicContact OE2-NH2 2.7Å; E133-R144 PolarHBondContact OE2-NH2 3.24Å; E133-Q456 WeakPolarHBondContact CA-O 3.39Å; E133-Q456 HydrophobicContact CB-CB 4.33Å; E133-D458 HydrophobicContact CG-CB 4.48Å
134	A	93	Very high	94.7	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-72	128.4	175.3	0	0	0	0	0	110.9	D141 L446 P452 Q456 D458	A134-D141 WeakPolarHBondContact CA-OD2 3.42Å; A134-L446 HydrophobicContact CB-CD1 3.94Å; A134-L446 HydrophobicContact CB-CD2 4.06Å; A134-P452 HydrophobicContact CB-CG 4.08Å; A134-Q456 PolarHBondContact N-O 3.26Å; A134-D458 PolarHBondContact O-N 2.93Å
135	Q	89.8	Confident	94.6	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	17%	0.171	S	C	.	.	S	Bend	trans	-145	-55.1	179	-173	-179.2	46	0	0	112.4	D141 D458	Q135-D141 VanDerWaalsContact N-CG 3.33Å; Q135-D141 PolarHBondContact N-OD1 3.18Å; Q135-D141 PolarHBondContact N-OD2 2.99Å; Q135-D458 HydrophobicContact CB-CB 4.09Å; Q135-D458 HydrophobicContact CG-CB 3.92Å; Q135-D458 WeakPolarHBondContact CG-OD2 3.49Å; Q135-D458 PolarHBondContact NE2-OD2 3.38Å
136	I	87.6	Confident	94.5	Very high	106 Å²	106	35.4 Å²	35.4	54%	0.544	19%	0.186	S	C	.	.	S	Bend	trans	-116.2	-40.8	-172.7	-55	179	0	0	0	111.3	Q140 D141	I136-Q140 HydrophobicContact CB-CB 4.41Å; I136-D141 PolarHBondContact N-OD1 2.85Å; I136-D141 PolarHBondContact N-OD2 2.74Å
137	G	85.4	Confident	94.4	Very high	6 Å²	6	41.5 Å²	41.5	6%	0.062	21%	0.214	C	C	.	.			trans	153.5	162.5	-169.9	0	0	0	0	0	112.2	A139 Q140 D141	G137-A139 PolarHBondContact O-N 3.47Å; G137-Q140 PolarHBondContact O-N 3.26Å; G137-D141 PolarHBondContact N-OD2 2.77Å; G137-D141 WeakPolarHBondContact O-CB 3.27Å; G137-D141 PolarHBondContact O-N 3.26Å
138	G	88.6	Confident	94.2	Very high	19 Å²	19	45.6 Å²	45.6	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-53.3	-47.9	-160.8	0	0	0	0	0	116.8	L142 V445 A447	G138-L142 WeakPolarHBondContact O-CB 3.34Å; G138-L142 PolarHBondContact O-N 3.23Å; G138-L142 VanDerWaalsContact O-N 3.08Å; G138-V445 PolarHBondContact N-O 3.18Å; G138-A447 VanDerWaalsContact CA-N 3.33Å
139	A	92.1	Very high	94.2	Very high	75 Å²	75	46.1 Å²	46.1	62%	0.62	24%	0.242	S	C	*	.	H	α-helix	trans	-70.5	-45.1	-175.4	0	0	0	0	0	112.6	G137 Q143	G137-A139 PolarHBondContact O-N 3.47Å; A139-Q143 WeakPolarHBondContact O-CB 3.4Å; A139-Q143 PolarHBondContact O-N 2.92Å
140	Q	94.1	Very high	94.2	Very high	113 Å²	113	51.3 Å²	51.3	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-43.4	-179.6	-64.9	88.2	-21.5	0	0	111.3	I136 G137 L142 Q143 R144	I136-Q140 HydrophobicContact CB-CB 4.41Å; G137-Q140 PolarHBondContact O-N 3.26Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 3.22Å; Q140-Q143 PolarHBondContact O-N 2.94Å; Q140-R144 WeakPolarHBondContact O-CB 3.11Å; Q140-R144 PolarHBondContact O-N 3.38Å
141	D	94.9	Very high	94.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-40	179.6	-66.5	-15.4	0	0	0	111	A134 Q135 I136 G137 A145	A134-D141 WeakPolarHBondContact CA-OD2 3.42Å; Q135-D141 VanDerWaalsContact N-CG 3.33Å; Q135-D141 PolarHBondContact N-OD1 3.18Å; Q135-D141 PolarHBondContact N-OD2 2.99Å; I136-D141 PolarHBondContact N-OD1 2.85Å; I136-D141 PolarHBondContact N-OD2 2.74Å; G137-D141 PolarHBondContact N-OD2 2.77Å; G137-D141 WeakPolarHBondContact O-CB 3.27Å; G137-D141 PolarHBondContact O-N 3.26Å; D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.32Å; D141-A145 PolarHBondContact O-N 2.94Å
142	L	95.9	Very high	94.3	Very high	31 Å²	31	54 Å²	54	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-43.4	175.6	178.8	59.5	0	0	0	112.4	I132 G138 Q140 A145 K146 P170	I132-L142 HydrophobicContact CD1-CD1 3.79Å; I132-L142 HydrophobicContact CG1-CD1 4.41Å; G138-L142 WeakPolarHBondContact O-CB 3.34Å; G138-L142 PolarHBondContact O-N 3.23Å; G138-L142 VanDerWaalsContact O-N 3.08Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 3.22Å; L142-A145 PolarHBondContact O-N 3.11Å; L142-K146 WeakPolarHBondContact O-CG 3.49Å; L142-K146 PolarHBondContact O-N 2.82Å; L142-P170 HydrophobicContact CD1-CB 3.87Å
143	Q	96.6	Very high	94.3	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-47.9	177.7	-179.2	57.1	33.8	0	0	110.9	A139 Q140 A145 K146 E147	A139-Q143 WeakPolarHBondContact O-CB 3.4Å; A139-Q143 PolarHBondContact O-N 2.92Å; Q140-Q143 PolarHBondContact O-N 2.94Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 3.36Å; Q143-K146 WeakPolarHBondContact O-CB 3.43Å; Q143-K146 PolarHBondContact O-N 3.04Å; Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 PolarHBondContact O-N 2.62Å; Q143-E147 VanDerWaalsContact O-N 3.17Å
144	R	96.4	Very high	94.5	Very high	65 Å²	65	56.3 Å²	56.3	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-43.9	175.2	-175.7	-179.5	69.3	114.6	-5.8	111.8	E133 Q140 K146 E147 V148	E133-R144 VanDerWaalsContact CG-NH2 3.31Å; E133-R144 PolarHBondContact O-NH2 2.82Å; E133-R144 IonicContact OE2-CZ 3.1Å; E133-R144 IonicContact OE2-NH1 3.69Å; E133-R144 PolarHBondContact OE2-NH1 3.37Å; E133-R144 IonicContact OE2-NH2 2.7Å; E133-R144 PolarHBondContact OE2-NH2 3.24Å; Q140-R144 WeakPolarHBondContact O-CB 3.11Å; Q140-R144 PolarHBondContact O-N 3.38Å; R144-K146 VanDerWaalsContact C-N 3.31Å; R144-K146 PolarHBondContact O-N 3.4Å; R144-E147 PolarHBondContact O-N 2.92Å; R144-V148 HydrophobicContact CG-CG2 4.09Å; R144-V148 WeakPolarHBondContact O-CB 3.49Å; R144-V148 VanDerWaalsContact O-CG2 3.32Å; R144-V148 WeakPolarHBondContact O-CG2 3.4Å; R144-V148 PolarHBondContact O-N 3.05Å
145	A	96.3	Very high	94.7	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-37.5	179.6	0	0	0	0	0	112.4	I132 D141 L142 Q143 N149 Y153	I132-A145 HydrophobicContact CB-CB 4.05Å; I132-A145 HydrophobicContact CG1-CB 3.72Å; I132-A145 HydrophobicContact CG2-CB 4.02Å; D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.32Å; D141-A145 PolarHBondContact O-N 2.94Å; L142-A145 PolarHBondContact O-N 3.11Å; Q143-A145 VanDerWaalsContact C-N 3.32Å; Q143-A145 PolarHBondContact O-N 3.36Å; A145-N149 VanDerWaalsContact O-CB 3.3Å; A145-N149 WeakPolarHBondContact O-CB 3.38Å; A145-N149 PolarHBondContact O-N 3.34Å; A145-N149 PolarHBondContact O-ND2 3.02Å; A145-N149 VanDerWaalsContact O-ND2 3.07Å; A145-Y153 WeakPolarHBondContact O-CE2 3.5Å
146	K	96.8	Very high	95.1	Very high	75 Å²	75	52.8 Å²	52.8	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-43.3	174.4	-73	172.9	179.6	175.4	0	111.4	L142 Q143 R144 Q150 P170	L142-K146 WeakPolarHBondContact O-CG 3.49Å; L142-K146 PolarHBondContact O-N 2.82Å; Q143-K146 WeakPolarHBondContact O-CB 3.43Å; Q143-K146 PolarHBondContact O-N 3.04Å; R144-K146 VanDerWaalsContact C-N 3.31Å; R144-K146 PolarHBondContact O-N 3.4Å; K146-Q150 WeakPolarHBondContact O-CA 3.42Å; K146-Q150 WeakPolarHBondContact O-CB 3.44Å; K146-Q150 PolarHBondContact O-N 2.86Å; K146-Q150 VanDerWaalsContact O-N 3.07Å; K146-Q150 PolarHBondContact O-OE1 3.33Å; K146-P170 HydrophobicContact CG-CB 4.39Å
147	E	96.6	Very high	95.6	Very high	127 Å²	127	48.3 Å²	48.3	59%	0.593	25%	0.254	S	S	*	.	H	α-helix	trans	-67.2	-50.5	177.9	-68.5	167.8	-165.2	0	0	112	Q143 R144 N149	Q143-E147 PolarHBondContact NE2-OE1 3.43Å; Q143-E147 PolarHBondContact O-N 2.62Å; Q143-E147 VanDerWaalsContact O-N 3.17Å; R144-E147 PolarHBondContact O-N 2.92Å; E147-N149 VanDerWaalsContact C-N 3.33Å; E147-N149 PolarHBondContact O-N 3.17Å
148	V	95.7	Very high	96.2	Very high	87 Å²	87	49.6 Å²	49.6	53%	0.527	26%	0.26	S	S	.	.	H	α-helix	trans	-68.1	-31.1	-175.8	171.9	0	0	0	0	112.8	R144 R567	R144-V148 HydrophobicContact CG-CG2 4.09Å; R144-V148 WeakPolarHBondContact O-CB 3.49Å; R144-V148 VanDerWaalsContact O-CG2 3.32Å; R144-V148 WeakPolarHBondContact O-CG2 3.4Å; R144-V148 PolarHBondContact O-N 3.05Å; V148-R567 PolarHBondContact O-NH1 3Å
149	N	97.2	Very high	96.6	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.059	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	16.5	-175.7	-56.3	-65.1	0	0	0	113.4	L131 A145 E147 E151 V152 Y153 R567	L131-N149 HydrophobicContact CD1-CB 4.47Å; L131-N149 PolarHBondContact O-ND2 3.23Å; A145-N149 VanDerWaalsContact O-CB 3.3Å; A145-N149 WeakPolarHBondContact O-CB 3.38Å; A145-N149 PolarHBondContact O-N 3.34Å; A145-N149 PolarHBondContact O-ND2 3.02Å; A145-N149 VanDerWaalsContact O-ND2 3.07Å; E147-N149 VanDerWaalsContact C-N 3.33Å; E147-N149 PolarHBondContact O-N 3.17Å; N149-E151 PolarHBondContact O-N 2.96Å; N149-E151 VanDerWaalsContact O-N 3.15Å; N149-V152 PolarHBondContact O-N 2.92Å; N149-Y153 HydrophobicContact CB-CD2 3.96Å; N149-Y153 HydrophobicContact CB-CE1 4.28Å; N149-Y153 HydrophobicContact CB-CE2 3.63Å; N149-Y153 HydrophobicContact CB-CG 4.44Å; N149-Y153 PolarHBondContact O-N 3.09Å; N149-R567 PolarHBondContact OD1-NH2 2.89Å
150	Q	97.1	Very high	96.8	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-51.1	-41.8	-177.4	-175.3	58.9	52.7	0	0	112.7	K146 N154	K146-Q150 WeakPolarHBondContact O-CA 3.42Å; K146-Q150 WeakPolarHBondContact O-CB 3.44Å; K146-Q150 PolarHBondContact O-N 2.86Å; K146-Q150 VanDerWaalsContact O-N 3.07Å; K146-Q150 PolarHBondContact O-OE1 3.33Å; Q150-N154 WeakPolarHBondContact O-CB 3.19Å; Q150-N154 PolarHBondContact O-N 3.15Å
151	E	97.2	Very high	97	Very high	74 Å²	74	40.2 Å²	40.2	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-50.3	177.7	-176.6	-177.2	-175.5	0	0	112.1	N149 N154 F155 S565 R567 L568	N149-E151 PolarHBondContact O-N 2.96Å; N149-E151 VanDerWaalsContact O-N 3.15Å; E151-N154 PolarHBondContact O-N 3Å; E151-F155 PolarHBondContact O-N 2.84Å; E151-S565 WeakPolarHBondContact OE1-CB 3.43Å; E151-S565 PolarHBondContact OE1-OG 3.12Å; E151-R567 WeakPolarHBondContact OE2-CB 3.39Å; E151-R567 WeakPolarHBondContact OE2-CG 3.33Å; E151-L568 HydrophobicContact CG-CD1 4.11Å
152	V	97.6	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-44.4	-178.2	175.4	0	0	0	0	111	Q106 L131 N149 N154 F155 L156 R567	Q106-V152 HydrophobicContact CG-CG1 3.74Å; L131-V152 HydrophobicContact CD1-CB 4.38Å; L131-V152 HydrophobicContact CD1-CG1 3.79Å; N149-V152 PolarHBondContact O-N 2.92Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 2.86Å; V152-F155 PolarHBondContact O-N 2.84Å; V152-L156 HydrophobicContact CG1-CD1 4.14Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.36Å; V152-L156 PolarHBondContact O-N 3.14Å; V152-R567 HydrophobicContact CG2-CB 4.15Å
153	Y	97.8	Very high	97.1	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-38	178	-64.4	-31.5	0	0	0	112	C128 L131 A145 N149 L156 A157 P170	C128-Y153 HydrophobicContact CB-CD1 4.29Å; C128-Y153 HydrophobicContact CB-CE1 3.93Å; L131-Y153 HydrophobicContact CB-CE1 4.25Å; L131-Y153 HydrophobicContact CD1-CE1 4.13Å; A145-Y153 WeakPolarHBondContact O-CE2 3.5Å; N149-Y153 HydrophobicContact CB-CD2 3.96Å; N149-Y153 HydrophobicContact CB-CE1 4.28Å; N149-Y153 HydrophobicContact CB-CE2 3.63Å; N149-Y153 HydrophobicContact CB-CG 4.44Å; N149-Y153 PolarHBondContact O-N 3.09Å; Y153-L156 PolarHBondContact O-N 2.71Å; Y153-A157 VanDerWaalsContact O-CB 3.25Å; Y153-A157 WeakPolarHBondContact O-CB 3.1Å; Y153-A157 PolarHBondContact O-N 2.85Å; Y153-P170 HydrophobicContact CD1-CG 3.89Å; Y153-P170 HydrophobicContact CD2-CB 4.5Å; Y153-P170 HydrophobicContact CD2-CG 3.5Å; Y153-P170 VanDerWaalsContact CD2-CG 3.5Å; Y153-P170 HydrophobicContact CE1-CG 3.79Å; Y153-P170 HydrophobicContact CE2-CB 3.92Å; Y153-P170 HydrophobicContact CE2-CG 3.35Å; Y153-P170 HydrophobicContact CG-CG 3.75Å
154	N	97.4	Very high	97.1	Very high	88 Å²	88	37.8 Å²	37.8	47%	0.471	19%	0.191	S	C	.	.	H	α-helix	trans	-65.3	-43.9	174.9	-173.6	59.1	0	0	0	111.8	Q150 E151 V152 L156 A157 T158	Q150-N154 WeakPolarHBondContact O-CB 3.19Å; Q150-N154 PolarHBondContact O-N 3.15Å; E151-N154 PolarHBondContact O-N 3Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 2.86Å; N154-L156 PolarHBondContact O-N 3.4Å; N154-A157 PolarHBondContact O-N 2.91Å; N154-T158 WeakPolarHBondContact O-CB 3.02Å; N154-T158 WeakPolarHBondContact O-CG2 3.44Å; N154-T158 PolarHBondContact O-N 3.28Å; N154-T158 PolarHBondContact O-OG1 3.01Å
155	F	98.1	Very high	97.2	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-48.4	174.3	166.3	-103.1	0	0	0	111.7	M109 L110 I113 E151 V152 T158 S159 V559 V561 L568	M109-F155 HydrophobicContact CB-CE1 4.28Å; M109-F155 HydrophobicContact CB-CZ 4.15Å; L110-F155 HydrophobicContact CD2-CE2 4.26Å; L110-F155 HydrophobicContact CD2-CZ 3.93Å; L110-F155 HydrophobicContact CG-CZ 3.99Å; I113-F155 HydrophobicContact CD1-CE2 3.8Å; I113-F155 HydrophobicContact CD1-CZ 3.92Å; E151-F155 PolarHBondContact O-N 2.84Å; V152-F155 PolarHBondContact O-N 2.84Å; F155-T158 PolarHBondContact O-OG1 2.62Å; F155-S159 WeakPolarHBondContact CE2-OG 3.29Å; F155-S159 WeakPolarHBondContact O-CB 3.5Å; F155-S159 PolarHBondContact O-N 3.35Å; F155-S159 PolarHBondContact O-OG 3.11Å; F155-V559 HydrophobicContact CD2-CG1 3.81Å; F155-V559 HydrophobicContact CE2-CG1 3.69Å; F155-V561 HydrophobicContact CD2-CG2 3.87Å; F155-V561 HydrophobicContact CE2-CG2 3.73Å; F155-L568 HydrophobicContact CB-CD1 3.47Å; F155-L568 VanDerWaalsContact CB-CD1 3.47Å; F155-L568 HydrophobicContact CD1-CD1 4.17Å; F155-L568 HydrophobicContact CD1-CD2 3.66Å; F155-L568 HydrophobicContact CD2-CD1 4.26Å; F155-L568 HydrophobicContact CE1-CD2 4.01Å; F155-L568 HydrophobicContact CG-CD1 3.7Å; F155-L568 HydrophobicContact CG-CD2 4.01Å
156	L	98.2	Very high	97.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-43.4	-179.8	-66.9	176	0	0	0	111.9	D102 A105 Q106 I126 V152 Y153 N154 S159 A160 F167	D102-L156 HydrophobicContact CB-CD1 3.63Å; A105-L156 HydrophobicContact CB-CD2 3.83Å; Q106-L156 HydrophobicContact CG-CD2 4.2Å; I126-L156 HydrophobicContact CD1-CD2 4.34Å; I126-L156 HydrophobicContact CG2-CB 4.37Å; I126-L156 HydrophobicContact CG2-CD1 4.21Å; V152-L156 HydrophobicContact CG1-CD1 4.14Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.36Å; V152-L156 PolarHBondContact O-N 3.14Å; Y153-L156 PolarHBondContact O-N 2.71Å; N154-L156 PolarHBondContact O-N 3.4Å; L156-S159 PolarHBondContact O-N 2.98Å; L156-A160 WeakPolarHBondContact O-CB 3.35Å; L156-A160 PolarHBondContact O-N 2.77Å; L156-F167 HydrophobicContact CB-CD2 4.42Å; L156-F167 HydrophobicContact CB-CE2 3.71Å
157	A	97.9	Very high	97.4	Very high	13 Å²	13	31.3 Å²	31.3	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-44.3	179.6	0	0	0	0	0	112.3	Y153 N154 A160 A161 F167	Y153-A157 VanDerWaalsContact O-CB 3.25Å; Y153-A157 WeakPolarHBondContact O-CB 3.1Å; Y153-A157 PolarHBondContact O-N 2.85Å; N154-A157 PolarHBondContact O-N 2.91Å; A157-A160 PolarHBondContact O-N 3.47Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.36Å; A157-F167 HydrophobicContact CB-CD1 3.91Å; A157-F167 HydrophobicContact CB-CE1 3.66Å; A157-F167 HydrophobicContact CB-CE2 4.31Å; A157-F167 HydrophobicContact CB-CG 4.33Å; A157-F167 HydrophobicContact CB-CZ 3.88Å
158	T	97.1	Very high	97.5	Very high	32 Å²	32	26.1 Å²	26.1	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-71	-38.7	177.9	53.3	0	0	0	0	111.7	N154 F155 A160 A161 K162	N154-T158 WeakPolarHBondContact O-CB 3.02Å; N154-T158 WeakPolarHBondContact O-CG2 3.44Å; N154-T158 PolarHBondContact O-N 3.28Å; N154-T158 PolarHBondContact O-OG1 3.01Å; F155-T158 PolarHBondContact O-OG1 2.62Å; T158-A160 VanDerWaalsContact C-N 3.33Å; T158-A160 PolarHBondContact O-N 3.18Å; T158-A161 PolarHBondContact O-N 2.93Å; T158-K162 WeakPolarHBondContact O-CB 3.4Å; T158-K162 PolarHBondContact O-N 3.06Å
159	S	97.1	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-43.9	172.4	-62.6	0	0	0	0	111.3	F155 L156 K162 Y163 V559	F155-S159 WeakPolarHBondContact CE2-OG 3.29Å; F155-S159 WeakPolarHBondContact O-CB 3.5Å; F155-S159 PolarHBondContact O-N 3.35Å; F155-S159 PolarHBondContact O-OG 3.11Å; L156-S159 PolarHBondContact O-N 2.98Å; S159-K162 PolarHBondContact O-N 3.16Å; S159-Y163 WeakPolarHBondContact O-CD2 3.25Å; S159-Y163 PolarHBondContact O-N 2.88Å; S159-V559 VanDerWaalsContact OG-CG1 3.22Å; S159-V559 WeakPolarHBondContact OG-CG1 3.3Å
160	A	97.4	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-46.3	178.2	0	0	0	0	0	111.5	I126 L156 A157 T158 K162 G164 V165 F167	I126-A160 HydrophobicContact CD1-CB 4.25Å; L156-A160 WeakPolarHBondContact O-CB 3.35Å; L156-A160 PolarHBondContact O-N 2.77Å; A157-A160 PolarHBondContact O-N 3.47Å; T158-A160 VanDerWaalsContact C-N 3.33Å; T158-A160 PolarHBondContact O-N 3.18Å; A160-K162 PolarHBondContact O-N 2.65Å; A160-G164 PolarHBondContact O-N 2.98Å; A160-V165 CarbonylContact C-O 3.52Å; A160-V165 HydrophobicContact CB-CB 3.98Å; A160-V165 HydrophobicContact CB-CG1 4.5Å; A160-V165 WeakPolarHBondContact CB-O 3.23Å; A160-V165 PolarHBondContact O-N 2.94Å; A160-F167 HydrophobicContact CB-CB 3.88Å; A160-F167 HydrophobicContact CB-CD2 4.39Å; A160-F167 HydrophobicContact CB-CG 4.47Å
161	A	97.2	Very high	97.6	Very high	10 Å²	10	21.2 Å²	21.2	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-43.9	175.2	0	0	0	0	0	112.6	A157 T158 P551 S554 V557	A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.36Å; T158-A161 PolarHBondContact O-N 2.93Å; A161-P551 HydrophobicContact CB-CG 4.26Å; A161-P551 WeakPolarHBondContact O-CD 3.5Å; A161-S554 WeakPolarHBondContact O-CB 3.47Å; A161-V557 HydrophobicContact CB-CG1 4.24Å
162	K	97.1	Very high	97.6	Very high	45 Å²	45	17.8 Å²	17.8	20%	0.196	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-50.3	-179.9	-173.7	174.5	-175.5	117.2	0	112.1	T158 S159 A160 S554 V557 V559	T158-K162 WeakPolarHBondContact O-CB 3.4Å; T158-K162 PolarHBondContact O-N 3.06Å; S159-K162 PolarHBondContact O-N 3.16Å; A160-K162 PolarHBondContact O-N 2.65Å; K162-S554 VanDerWaalsContact O-CB 3.27Å; K162-S554 WeakPolarHBondContact O-CB 3.4Å; K162-S554 PolarHBondContact O-OG 2.83Å; K162-V557 HydrophobicContact CB-CB 4.07Å; K162-V557 HydrophobicContact CB-CG1 3.92Å; K162-V557 WeakPolarHBondContact CD-O 3.38Å; K162-V557 HydrophobicContact CG-CB 4.46Å; K162-V557 PolarHBondContact NZ-O 2.83Å; K162-V559 HydrophobicContact CB-CG2 3.8Å; K162-V559 HydrophobicContact CD-CB 4.25Å; K162-V559 HydrophobicContact CD-CG2 3.52Å; K162-V559 HydrophobicContact CG-CG2 4.31Å
163	Y	97.1	Very high	97.6	Very high	21 Å²	21	17.8 Å²	17.8	8%	0.082	10%	0.096	C	C	.	.	H	α-helix	trans	-96	6.2	-169.5	-60.7	-64.4	0	0	0	114.3	M109 F112 I113 L117 K119 V120 S159 V559	M109-Y163 HydrophobicContact CE-CD2 3.57Å; M109-Y163 HydrophobicContact CE-CE2 4.41Å; M109-Y163 HydrophobicContact CE-CG 4.21Å; F112-Y163 HydrophobicContact CD1-CD1 4.02Å; F112-Y163 HydrophobicContact CD1-CD2 4.29Å; F112-Y163 HydrophobicContact CD1-CE1 4.4Å; F112-Y163 AromaticContact CD1-CG 3.95Å; F112-Y163 HydrophobicContact CD1-CG 3.95Å; F112-Y163 AromaticContact CE1-CD1 3.57Å; F112-Y163 HydrophobicContact CE1-CD1 3.57Å; F112-Y163 HydrophobicContact CE1-CE1 4.2Å; F112-Y163 AromaticContact CE1-CG 3.78Å; F112-Y163 HydrophobicContact CE1-CG 3.78Å; I113-Y163 HydrophobicContact CD1-CE2 4.32Å; I113-Y163 HydrophobicContact CG1-CE2 3.52Å; I113-Y163 WeakPolarHBondContact CG1-OH 3.47Å; L117-Y163 WeakPolarHBondContact O-CE1 3.37Å; K119-Y163 WeakPolarHBondContact CA-O 3.39Å; K119-Y163 WeakPolarHBondContact CG-O 3.09Å; V120-Y163 PolarHBondContact N-O 2.77Å; S159-Y163 WeakPolarHBondContact O-CD2 3.25Å; S159-Y163 PolarHBondContact O-N 2.88Å; Y163-V559 HydrophobicContact CE2-CG2 4.48Å
164	G	96.4	Very high	97.6	Very high	16 Å²	16	17.3 Å²	17.3	17%	0.165	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	31.2	174.1	0	0	0	0	0	114.7	A160	A160-G164 PolarHBondContact O-N 2.98Å
165	V	98.3	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.			trans	-99.7	139.9	179.1	-173.9	0	0	0	0	108.8	M100 M109 V120 S124 I126 A160	M100-V165 HydrophobicContact CE-CG1 4.2Å; M109-V165 HydrophobicContact CE-CG2 4.4Å; V120-V165 HydrophobicContact CG1-CG2 3.73Å; V120-V165 HydrophobicContact CG2-CG2 4.25Å; S124-V165 VanDerWaalsContact O-CG1 3.27Å; S124-V165 WeakPolarHBondContact O-CG1 3.18Å; I126-V165 HydrophobicContact CD1-CG1 4.07Å; I126-V165 HydrophobicContact CG1-CG1 3.92Å; A160-V165 CarbonylContact C-O 3.52Å; A160-V165 HydrophobicContact CB-CB 3.98Å; A160-V165 HydrophobicContact CB-CG1 4.5Å; A160-V165 WeakPolarHBondContact CB-O 3.23Å; A160-V165 PolarHBondContact O-N 2.94Å
166	G	98.3	Very high	97.7	Very high	3 Å²	3	13.1 Å²	13.1	3%	0.031	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.5	171.3	0	0	0	0	0	112.1	S124 T125 I126 Y547	S124-G166 PolarHBondContact O-N 2.89Å; T125-G166 CarbonylContact C-O 3.53Å; T125-G166 VanDerWaalsContact CA-O 3.28Å; T125-G166 WeakPolarHBondContact CA-O 3.49Å; I126-G166 PolarHBondContact N-O 3.42Å; G166-Y547 WeakPolarHBondContact CA-OH 3.41Å
167	F	98.6	Very high	97.7	Very high	7 Å²	7	13.4 Å²	13.4	3%	0.031	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.4	-176.6	-177.8	-105.6	0	0	0	112.1	I126 C128 L156 A157 A160 K169 Q548	I126-F167 HydrophobicContact CB-CD2 4.06Å; I126-F167 HydrophobicContact CG2-CD2 3.91Å; I126-F167 HydrophobicContact CG2-CE2 3.99Å; C128-F167 WeakPolarHBondContact SG-CE2 3.4Å; C128-F167 WeakPolarHBondContact SG-CZ 3.16Å; L156-F167 HydrophobicContact CB-CD2 4.42Å; L156-F167 HydrophobicContact CB-CE2 3.71Å; A157-F167 HydrophobicContact CB-CD1 3.91Å; A157-F167 HydrophobicContact CB-CE1 3.66Å; A157-F167 HydrophobicContact CB-CE2 4.31Å; A157-F167 HydrophobicContact CB-CG 4.33Å; A157-F167 HydrophobicContact CB-CZ 3.88Å; A160-F167 HydrophobicContact CB-CB 3.88Å; A160-F167 HydrophobicContact CB-CD2 4.39Å; A160-F167 HydrophobicContact CB-CG 4.47Å; F167-K169 HydrophobicContact CD1-CG 4.08Å; F167-K169 HydrophobicContact CE1-CG 3.93Å; F167-Q548 HydrophobicContact CB-CB 4.19Å; F167-Q548 HydrophobicContact CD1-CB 4.22Å; F167-Q548 PolarHBondContact N-O 3.19Å; F167-Q548 VanDerWaalsContact N-O 3.11Å; F167-Q548 PolarHBondContact O-N 3.03Å
168	W	98.6	Very high	97.7	Very high	17 Å²	17	12.9 Å²	12.9	6%	0.064	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.2	171.4	-72.6	92.5	0	0	0	110.1	F39 I126 H127 C128 I178 Y183 Y547	F39-W168 HydrophobicContact CE1-CH2 4.44Å; F39-W168 HydrophobicContact CE1-CZ2 4.34Å; F39-W168 HydrophobicContact CE2-CH2 4.13Å; F39-W168 AromaticContact CE2-CZ2 3.63Å; F39-W168 HydrophobicContact CE2-CZ2 3.63Å; F39-W168 AromaticContact CZ-CH2 3.61Å; F39-W168 HydrophobicContact CZ-CH2 3.61Å; F39-W168 AromaticContact CZ-CZ2 3.51Å; F39-W168 HydrophobicContact CZ-CZ2 3.51Å; I126-W168 WeakPolarHBondContact O-CB 3.39Å; I126-W168 PolarHBondContact O-N 3.44Å; H127-W168 AromaticContact CE1-CD1 3.32Å; H127-W168 AromaticContact CE1-NE1 3.66Å; H127-W168 AromaticContact ND1-CD1 3.44Å; H127-W168 AromaticContact ND1-CG 3.72Å; C128-W168 PolarHBondContact N-O 2.87Å; W168-I178 HydrophobicContact CB-CD1 4.38Å; W168-I178 HydrophobicContact CD2-CD1 4.02Å; W168-I178 HydrophobicContact CD2-CG2 3.87Å; W168-I178 VanDerWaalsContact CE2-CG2 3.42Å; W168-I178 HydrophobicContact CE3-CD1 4.07Å; W168-I178 HydrophobicContact CE3-CG2 4.38Å; W168-I178 HydrophobicContact CG-CD1 4.19Å; W168-I178 HydrophobicContact CG-CG2 4.37Å; W168-I178 HydrophobicContact CH2-CG2 4.04Å; W168-I178 HydrophobicContact CZ2-CG2 3.52Å; W168-I178 HydrophobicContact CZ3-CG2 4.45Å; W168-Y183 HydrophobicContact CZ2-CE2 4.07Å; W168-Y183 WeakPolarHBondContact CZ2-OH 3.39Å; W168-Y183 AromaticContact NE1-CE2 3.4Å; W168-Y183 AromaticContact NE1-CZ 3.53Å; W168-Y183 PolarHBondContact NE1-OH 3.39Å; W168-Y547 AromaticContact CD1-CD2 3.79Å; W168-Y547 AromaticContact CD1-CE2 3.94Å; W168-Y547 AromaticContact CD2-CD2 3.71Å; W168-Y547 HydrophobicContact CD2-CD2 3.71Å; W168-Y547 AromaticContact CE2-CD2 3.47Å; W168-Y547 VanDerWaalsContact CE2-CD2 3.47Å; W168-Y547 HydrophobicContact CE3-CD2 4.33Å; W168-Y547 AromaticContact CG-CD2 3.94Å; W168-Y547 HydrophobicContact CG-CD2 3.94Å; W168-Y547 AromaticContact CZ2-CD2 3.97Å; W168-Y547 HydrophobicContact CZ2-CD2 3.97Å; W168-Y547 HydrophobicContact CZ2-CG 4.47Å; W168-Y547 AromaticContact NE1-CD2 3.47Å; W168-Y547 AromaticContact NE1-CE2 3.59Å
169	K	98.3	Very high	97.8	Very high	86 Å²	86	11.5 Å²	11.5	37%	0.374	6%	0.06	S	C	.	.			trans	-64.3	159.7	-175.2	-67.7	173.3	-175.9	167.8	0	112.1	F167 G171 S172 T546	F167-K169 HydrophobicContact CD1-CG 4.08Å; F167-K169 HydrophobicContact CE1-CG 3.93Å; K169-G171 PolarHBondContact O-N 3.27Å; K169-S172 WeakPolarHBondContact O-CB 3.29Å; K169-S172 PolarHBondContact O-N 3.45Å; K169-S172 VanDerWaalsContact O-N 3.09Å; K169-S172 PolarHBondContact O-OG 2.81Å; K169-T546 VanDerWaalsContact CB-O 3.29Å; K169-T546 WeakPolarHBondContact CB-O 3.46Å; K169-T546 WeakPolarHBondContact CG-O 3.31Å; K169-T546 PolarHBondContact N-O 3.37Å
170	P	97.5	Very high	97.9	Very high	14 Å²	14	11.6 Å²	11.6	9%	0.091	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	130.6	173.6	-23.7	32.5	0	0	0	111.7	C128 I132 L142 K146 Y153	C128-P170 HydrophobicContact CB-CB 4.21Å; C128-P170 HydrophobicContact CB-CG 3.8Å; I132-P170 HydrophobicContact CD1-CB 4.25Å; L142-P170 HydrophobicContact CD1-CB 3.87Å; K146-P170 HydrophobicContact CG-CB 4.39Å; Y153-P170 HydrophobicContact CD1-CG 3.89Å; Y153-P170 HydrophobicContact CD2-CB 4.5Å; Y153-P170 HydrophobicContact CD2-CG 3.5Å; Y153-P170 VanDerWaalsContact CD2-CG 3.5Å; Y153-P170 HydrophobicContact CE1-CG 3.79Å; Y153-P170 HydrophobicContact CE2-CB 3.92Å; Y153-P170 HydrophobicContact CE2-CG 3.35Å; Y153-P170 HydrophobicContact CG-CG 3.75Å
171	G	95.8	Very high	97.9	Very high	5 Å²	5	11.9 Å²	11.9	5%	0.052	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.7	-177.7	0	0	0	0	0	115.1	K169 G173 N448	K169-G171 PolarHBondContact O-N 3.27Å; G171-G173 VanDerWaalsContact C-N 3.32Å; G171-G173 PolarHBondContact O-N 2.99Å; G171-N448 PolarHBondContact O-ND2 3.4Å
172	S	97.3	Very high	98	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.014	6%	0.06	C	C	.	.	S	Bend	trans	-59.6	-39.5	173.1	48.4	0	0	0	0	113.4	K169 E423 T546	K169-S172 WeakPolarHBondContact O-CB 3.29Å; K169-S172 PolarHBondContact O-N 3.45Å; K169-S172 VanDerWaalsContact O-N 3.09Å; K169-S172 PolarHBondContact O-OG 2.81Å; S172-E423 WeakPolarHBondContact O-CB 3.32Å; S172-E423 PolarHBondContact O-N 3.08Å; S172-T546 VanDerWaalsContact CB-OG1 3.29Å; S172-T546 WeakPolarHBondContact CB-OG1 3.34Å
173	G	97.2	Very high	98	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	140.8	168.4	-172.3	0	0	0	0	0	113.1	G171 I178 G421 N448	G171-G173 VanDerWaalsContact C-N 3.32Å; G171-G173 PolarHBondContact O-N 2.99Å; G173-I178 WeakPolarHBondContact O-CD1 3.43Å; G173-G421 CarbonylContact C-O 3.48Å; G173-G421 VanDerWaalsContact CA-O 3.23Å; G173-G421 WeakPolarHBondContact CA-O 3.39Å; G173-N448 CarbonylContact C-O 3.49Å; G173-N448 WeakPolarHBondContact CA-O 3.46Å; G173-N448 PolarHBondContact N-O 3.21Å
174	I	98.4	Very high	98.1	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.047	C	C	.	.			trans	-75.4	136.5	176.6	-54.8	170.3	0	0	0	109	D129 H176 Q177 I178 C387 T419 G421	D129-I174 WeakPolarHBondContact OD2-CA 3.21Å; D129-I174 WeakPolarHBondContact OD2-CG2 3.1Å; I174-H176 VanDerWaalsContact C-N 3.27Å; I174-H176 PolarHBondContact O-N 2.7Å; I174-H176 VanDerWaalsContact O-N 3.08Å; I174-Q177 PolarHBondContact O-N 3.49Å; I174-I178 PolarHBondContact O-N 2.86Å; I174-I178 VanDerWaalsContact O-N 3.12Å; I174-C387 HydrophobicContact CG2-CB 3.69Å; I174-T419 HydrophobicContact CD1-CG2 4.2Å; I174-G421 PolarHBondContact N-O 3.32Å
175	I	98.6	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-42.3	-49.7	-174.2	178.5	165.5	0	0	0	113.4	A99 Q101 H127 D129 Q177 I178 I179	A99-I175 HydrophobicContact CB-CD1 4.05Å; Q101-I175 HydrophobicContact CB-CB 4.38Å; Q101-I175 HydrophobicContact CB-CD1 3.98Å; Q101-I175 HydrophobicContact CB-CG2 4.26Å; Q101-I175 HydrophobicContact CG-CD1 4.38Å; H127-I175 HydrophobicContact CB-CB 3.87Å; H127-I175 HydrophobicContact CB-CG1 4.25Å; D129-I175 WeakPolarHBondContact OD2-CG2 3.22Å; D129-I175 PolarHBondContact OD2-N 3.34Å; I175-Q177 PolarHBondContact O-N 3.03Å; I175-I178 PolarHBondContact O-N 3.18Å; I175-I179 HydrophobicContact CD1-CD1 4.29Å; I175-I179 HydrophobicContact CG1-CD1 3.59Å; I175-I179 HydrophobicContact CG1-CG1 4.34Å; I175-I179 WeakPolarHBondContact O-CB 3.44Å; I175-I179 WeakPolarHBondContact O-CG1 3.35Å; I175-I179 PolarHBondContact O-N 3.24Å
176	H	98.5	Very high	98.2	Very high	3 Å²	3	8.1 Å²	8.1	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-70.3	-34	-174	-58.7	-45.7	0	0	0	113.8	I174 I179 L180 D194 H196 T197 N199 C387	I174-H176 VanDerWaalsContact C-N 3.27Å; I174-H176 PolarHBondContact O-N 2.7Å; I174-H176 VanDerWaalsContact O-N 3.08Å; H176-I179 PolarHBondContact O-N 3.21Å; H176-L180 WeakPolarHBondContact O-CB 3.38Å; H176-L180 PolarHBondContact O-N 3.34Å; H176-D194 IonicContact CD2-OD1 2.86Å; H176-D194 IonicContact CE1-OD1 3.61Å; H176-D194 PolarHBondContact CE1-OD1 3.37Å; H176-D194 IonicContact NE2-OD1 3.39Å; H176-D194 PolarHBondContact NE2-OD1 2.93Å; H176-H196 WeakPolarHBondContact NE2-CB 3.42Å; H176-T197 VanDerWaalsContact CE1-CA 3.42Å; H176-T197 WeakPolarHBondContact CE1-CA 3.3Å; H176-T197 PolarHBondContact CE1-N 3.27Å; H176-N199 HydrophobicContact CB-CB 3.87Å; H176-N199 PolarHBondContact O-ND2 3.21Å; H176-C387 HydrophobicContact CB-CB 4.07Å
177	Q	98.3	Very high	98.3	Very high	6 Å²	6	8.1 Å²	8.1	3%	0.028	4%	0.039	C	C	.	.	H	α-helix	trans	-70.1	-47.1	176.9	-172.5	66.8	24.2	0	0	109.6	I174 I175 I179 L180 E181 G421	I174-Q177 PolarHBondContact O-N 3.49Å; I175-Q177 PolarHBondContact O-N 3.03Å; Q177-I179 VanDerWaalsContact C-N 3.28Å; Q177-I179 PolarHBondContact O-N 3.17Å; Q177-L180 PolarHBondContact O-N 3.48Å; Q177-E181 VanDerWaalsContact CG-OE1 3.3Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.36Å; Q177-E181 PolarHBondContact NE2-OE1 2.69Å; Q177-E181 WeakPolarHBondContact O-CB 3.5Å; Q177-E181 VanDerWaalsContact O-CG 3.31Å; Q177-E181 WeakPolarHBondContact O-CG 3.48Å; Q177-E181 PolarHBondContact O-N 3.36Å; Q177-G421 WeakPolarHBondContact CB-O 2.95Å
178	I	98.6	Very high	98.3	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-59.7	-41.7	175.1	-63.5	177.3	0	0	0	110.4	W168 G173 I174 I175 E181 N182 Y183	W168-I178 HydrophobicContact CB-CD1 4.38Å; W168-I178 HydrophobicContact CD2-CD1 4.02Å; W168-I178 HydrophobicContact CD2-CG2 3.87Å; W168-I178 VanDerWaalsContact CE2-CG2 3.42Å; W168-I178 HydrophobicContact CE3-CD1 4.07Å; W168-I178 HydrophobicContact CE3-CG2 4.38Å; W168-I178 HydrophobicContact CG-CD1 4.19Å; W168-I178 HydrophobicContact CG-CG2 4.37Å; W168-I178 HydrophobicContact CH2-CG2 4.04Å; W168-I178 HydrophobicContact CZ2-CG2 3.52Å; W168-I178 HydrophobicContact CZ3-CG2 4.45Å; G173-I178 WeakPolarHBondContact O-CD1 3.43Å; I174-I178 PolarHBondContact O-N 2.86Å; I174-I178 VanDerWaalsContact O-N 3.12Å; I175-I178 PolarHBondContact O-N 3.18Å; I178-E181 PolarHBondContact O-N 2.94Å; I178-N182 VanDerWaalsContact O-CB 3.28Å; I178-N182 WeakPolarHBondContact O-CB 3.25Å; I178-N182 PolarHBondContact O-N 3.04Å; I178-N182 PolarHBondContact O-ND2 2.98Å; I178-Y183 HydrophobicContact CG2-CD2 4.34Å; I178-Y183 HydrophobicContact CG2-CE2 3.86Å
179	I	98.8	Very high	98.3	Very high	3 Å²	3	7 Å²	7	2%	0.015	4%	0.035	C	C	.	.	H	α-helix	trans	-59	-50	174.7	-73.1	166.9	0	0	0	111.3	A99 I175 H176 Q177 E181 N182 Y183 A184 L190	A99-I179 HydrophobicContact CB-CD1 3.58Å; A99-I179 HydrophobicContact CB-CG1 4.3Å; I175-I179 HydrophobicContact CD1-CD1 4.29Å; I175-I179 HydrophobicContact CG1-CD1 3.59Å; I175-I179 HydrophobicContact CG1-CG1 4.34Å; I175-I179 WeakPolarHBondContact O-CB 3.44Å; I175-I179 WeakPolarHBondContact O-CG1 3.35Å; I175-I179 PolarHBondContact O-N 3.24Å; H176-I179 PolarHBondContact O-N 3.21Å; Q177-I179 VanDerWaalsContact C-N 3.28Å; Q177-I179 PolarHBondContact O-N 3.17Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.02Å; I179-N182 PolarHBondContact O-N 2.81Å; I179-Y183 HydrophobicContact CG1-CD2 4.28Å; I179-Y183 CarbonylContact O-C 3.51Å; I179-Y183 WeakPolarHBondContact O-CA 3.26Å; I179-Y183 PolarHBondContact O-N 2.64Å; I179-A184 HydrophobicContact CG2-CB 4.05Å; I179-A184 PolarHBondContact O-N 3.18Å; I179-L190 HydrophobicContact CD1-CD1 4.47Å; I179-L190 HydrophobicContact CD1-CD2 4.44Å; I179-L190 HydrophobicContact CG2-CD1 3.81Å
180	L	98.8	Very high	98.3	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.01	2%	0.017	C	C	.	.	H	α-helix	trans	-61.7	-42.1	-178.4	-168.6	68.8	0	0	0	111.7	H176 Q177 L203 T280 A283 Y308 R314	H176-L180 WeakPolarHBondContact O-CB 3.38Å; H176-L180 PolarHBondContact O-N 3.34Å; Q177-L180 PolarHBondContact O-N 3.48Å; L180-L203 HydrophobicContact CD1-CB 3.78Å; L180-L203 HydrophobicContact CD1-CD2 4.31Å; L180-T280 HydrophobicContact CD2-CG2 4.14Å; L180-A283 HydrophobicContact CD1-CB 4.13Å; L180-A283 HydrophobicContact CD2-CB 3.58Å; L180-Y308 HydrophobicContact CG-CE1 4.05Å; L180-Y308 WeakPolarHBondContact O-CE1 3.28Å; L180-R314 PolarHBondContact O-NH1 3.07Å; L180-R314 VanDerWaalsContact O-NH1 3.16Å; L180-R314 PolarHBondContact O-NH2 3.18Å
181	E	98.4	Very high	98.3	Very high	7 Å²	7	2.2 Å²	2.2	3%	0.033	1%	0.013	C	C	.	.	H	α-helix	trans	-68.1	-33.3	-179.9	-72.4	168.3	-176.2	0	0	113.4	Q177 I178 I179 Y308 T312 R314 S422 I425	Q177-E181 VanDerWaalsContact CG-OE1 3.3Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.36Å; Q177-E181 PolarHBondContact NE2-OE1 2.69Å; Q177-E181 WeakPolarHBondContact O-CB 3.5Å; Q177-E181 VanDerWaalsContact O-CG 3.31Å; Q177-E181 WeakPolarHBondContact O-CG 3.48Å; Q177-E181 PolarHBondContact O-N 3.36Å; I178-E181 PolarHBondContact O-N 2.94Å; I179-E181 VanDerWaalsContact C-N 3.31Å; I179-E181 PolarHBondContact O-N 3.02Å; E181-Y308 WeakPolarHBondContact CG-OH 3.35Å; E181-T312 PolarHBondContact O-OG1 2.94Å; E181-R314 PolarHBondContact O-NE 2.73Å; E181-R314 PolarHBondContact O-NH2 3.14Å; E181-S422 VanDerWaalsContact CD-OG 3.32Å; E181-S422 PolarHBondContact OE1-OG 3.09Å; E181-S422 WeakPolarHBondContact OE2-CB 3.46Å; E181-S422 PolarHBondContact OE2-OG 2.84Å; E181-I425 WeakPolarHBondContact OE1-CG1 3.44Å
182	N	98.5	Very high	98.4	Very high	10 Å²	10	2 Å²	2	5%	0.053	1%	0.01	C	C	.	.	H	α-helix	trans	-124.8	-32.4	-165.4	-61.1	-85.3	0	0	0	115.9	S37 R38 F39 I178 I179	S37-N182 WeakPolarHBondContact CB-O 3.46Å; R38-N182 PolarHBondContact NE-OD1 3.13Å; R38-N182 PolarHBondContact NH2-OD1 3.44Å; F39-N182 HydrophobicContact CE2-CB 3.94Å; F39-N182 WeakPolarHBondContact CE2-OD1 3.17Å; I178-N182 VanDerWaalsContact O-CB 3.28Å; I178-N182 WeakPolarHBondContact O-CB 3.25Å; I178-N182 PolarHBondContact O-N 3.04Å; I178-N182 PolarHBondContact O-ND2 2.98Å; I179-N182 PolarHBondContact O-N 2.81Å
183	Y	98.6	Very high	98.4	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-28	-160	-60.3	-57.8	0	0	0	115.3	F39 R97 T125 W168 I178 I179 Y185	F39-Y183 HydrophobicContact CB-CE1 4.49Å; F39-Y183 AromaticContact CD2-CE1 3.52Å; F39-Y183 HydrophobicContact CD2-CE1 3.52Å; F39-Y183 AromaticContact CD2-CZ 3.66Å; F39-Y183 VanDerWaalsContact CD2-OH 3.32Å; F39-Y183 WeakPolarHBondContact CD2-OH 3.17Å; F39-Y183 HydrophobicContact CE2-CE1 4.17Å; F39-Y183 AromaticContact CE2-CZ 3.96Å; F39-Y183 HydrophobicContact CG-CE1 4.38Å; R97-Y183 VanDerWaalsContact NH2-CD1 3.29Å; T125-Y183 HydrophobicContact CG2-CE1 4.29Å; T125-Y183 HydrophobicContact CG2-CE2 4.17Å; W168-Y183 HydrophobicContact CZ2-CE2 4.07Å; W168-Y183 WeakPolarHBondContact CZ2-OH 3.39Å; W168-Y183 AromaticContact NE1-CE2 3.4Å; W168-Y183 AromaticContact NE1-CZ 3.53Å; W168-Y183 PolarHBondContact NE1-OH 3.39Å; I178-Y183 HydrophobicContact CG2-CD2 4.34Å; I178-Y183 HydrophobicContact CG2-CE2 3.86Å; I179-Y183 HydrophobicContact CG1-CD2 4.28Å; I179-Y183 CarbonylContact O-C 3.51Å; I179-Y183 WeakPolarHBondContact O-CA 3.26Å; I179-Y183 PolarHBondContact O-N 2.64Å; Y183-Y185 WeakPolarHBondContact O-CD1 3.42Å
184	A	98.7	Very high	98.4	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.			trans	-72.7	145.9	172.4	0	0	0	0	0	109.9	I179 L203 R314	I179-A184 HydrophobicContact CG2-CB 4.05Å; I179-A184 PolarHBondContact O-N 3.18Å; A184-L203 HydrophobicContact CB-CB 4.23Å; A184-L203 HydrophobicContact CB-CD2 3.96Å; A184-L203 WeakPolarHBondContact O-CD2 3.48Å; A184-R314 PolarHBondContact O-NH1 3.24Å
185	Y	98.8	Very high	98.1	Very high	3 Å²	3	2.6 Å²	2.6	1%	0.012	1%	0.014	C	C	.	.			trans	-157.3	159.7	170.9	57.4	-95.5	0	0	0	109.3	M36 I45 Y183 G187 V188 L203 I317	M36-Y185 HydrophobicContact CB-CE1 4.35Å; M36-Y185 HydrophobicContact CE-CE1 4.37Å; M36-Y185 HydrophobicContact CG-CE1 4.4Å; I45-Y185 HydrophobicContact CB-CE2 4.4Å; I45-Y185 HydrophobicContact CD1-CD2 4.04Å; I45-Y185 HydrophobicContact CD1-CE2 4.16Å; I45-Y185 HydrophobicContact CD1-CG 4.26Å; I45-Y185 HydrophobicContact CG1-CD2 4.36Å; I45-Y185 HydrophobicContact CG1-CE1 4.34Å; I45-Y185 HydrophobicContact CG1-CE2 3.98Å; I45-Y185 HydrophobicContact CG2-CD2 4.29Å; I45-Y185 HydrophobicContact CG2-CE2 3.67Å; Y183-Y185 WeakPolarHBondContact O-CD1 3.42Å; Y185-G187 PolarHBondContact O-N 2.83Å; Y185-V188 HydrophobicContact CD1-CB 4.04Å; Y185-V188 HydrophobicContact CD1-CG2 4.21Å; Y185-V188 HydrophobicContact CD2-CB 3.89Å; Y185-V188 HydrophobicContact CE1-CB 3.79Å; Y185-V188 HydrophobicContact CE1-CG2 3.57Å; Y185-V188 HydrophobicContact CE2-CB 3.62Å; Y185-V188 HydrophobicContact CE2-CG2 4.11Å; Y185-V188 HydrophobicContact CG-CB 4.08Å; Y185-V188 WeakPolarHBondContact O-CB 3.37Å; Y185-V188 WeakPolarHBondContact O-CG1 3.32Å; Y185-V188 PolarHBondContact O-N 2.86Å; Y185-V188 VanDerWaalsContact O-N 3.13Å; Y185-L203 CarbonylContact C-O 3.45Å; Y185-L203 VanDerWaalsContact C-O 3.29Å; Y185-I317 HydrophobicContact CG-CG2 4.32Å
186	P	98.8	Very high	98	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.1	-178.9	-28.2	36.4	0	0	0	111.6	Y47 V188 L203 Y301 L309 A321 L328	Y47-P186 WeakPolarHBondContact CE1-O 3.49Å; Y47-P186 VanDerWaalsContact CZ-O 3.28Å; Y47-P186 PolarHBondContact OH-O 3.43Å; P186-V188 VanDerWaalsContact C-N 3.33Å; P186-V188 PolarHBondContact O-N 2.98Å; P186-L203 VanDerWaalsContact CA-O 3.31Å; P186-L203 WeakPolarHBondContact CA-O 3.49Å; P186-L203 WeakPolarHBondContact CD-O 3.37Å; P186-L203 VanDerWaalsContact N-O 3.09Å; P186-Y301 HydrophobicContact CB-CD2 3.92Å; P186-Y301 HydrophobicContact CB-CG 4.17Å; P186-Y301 HydrophobicContact CG-CD2 3.31Å; P186-Y301 HydrophobicContact CG-CE2 3.7Å; P186-Y301 HydrophobicContact CG-CG 4.05Å; P186-L309 HydrophobicContact CG-CD1 4.32Å; P186-A321 HydrophobicContact CB-CB 4.34Å; P186-A321 HydrophobicContact CG-CB 4.19Å; P186-L328 HydrophobicContact CB-CD1 3.83Å; P186-L328 HydrophobicContact CB-CD2 4.09Å; P186-L328 HydrophobicContact CB-CG 4.44Å
187	G	98.4	Very high	98.1	Very high	2 Å²	2	3.1 Å²	3.1	2%	0.021	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-4.2	179.1	0	0	0	0	0	116.1	I71 H75 Y185 G204	I71-G187 WeakPolarHBondContact CG2-O 3.45Å; H75-G187 PolarHBondContact CE1-O 2.77Å; Y185-G187 PolarHBondContact O-N 2.83Å; G187-G204 PolarHBondContact N-O 3.49Å
188	V	98.7	Very high	98.1	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.016	C	C	.	.			trans	-63	138.6	175	72.7	0	0	0	0	111.1	D96 Y185 P186 L190 G205 I206	D96-V188 HydrophobicContact CB-CG2 4.08Å; Y185-V188 HydrophobicContact CD1-CB 4.04Å; Y185-V188 HydrophobicContact CD1-CG2 4.21Å; Y185-V188 HydrophobicContact CD2-CB 3.89Å; Y185-V188 HydrophobicContact CE1-CB 3.79Å; Y185-V188 HydrophobicContact CE1-CG2 3.57Å; Y185-V188 HydrophobicContact CE2-CB 3.62Å; Y185-V188 HydrophobicContact CE2-CG2 4.11Å; Y185-V188 HydrophobicContact CG-CB 4.08Å; Y185-V188 WeakPolarHBondContact O-CB 3.37Å; Y185-V188 WeakPolarHBondContact O-CG1 3.32Å; Y185-V188 PolarHBondContact O-N 2.86Å; Y185-V188 VanDerWaalsContact O-N 3.13Å; P186-V188 VanDerWaalsContact C-N 3.33Å; P186-V188 PolarHBondContact O-N 2.98Å; V188-L190 HydrophobicContact CG2-CB 4.48Å; V188-G205 CarbonylContact O-C 3.5Å; V188-G205 WeakPolarHBondContact O-CA 3.31Å; V188-I206 PolarHBondContact O-N 2.83Å
189	M	98.7	Very high	98.1	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.6	161.1	-176.5	170.8	-76	0	0	109.8	V72 H75 L93 P95 D96 I206 W224	V72-M189 HydrophobicContact CB-CE 4.31Å; V72-M189 HydrophobicContact CG1-CE 4.47Å; V72-M189 HydrophobicContact CG2-CE 4.17Å; H75-M189 HydrophobicContact CB-CB 4.36Å; H75-M189 HydrophobicContact CB-CE 3.64Å; H75-M189 HydrophobicContact CB-SD 3.66Å; L93-M189 HydrophobicContact CB-SD 3.99Å; L93-M189 HydrophobicContact CD1-CE 4.08Å; L93-M189 HydrophobicContact CD1-SD 4.08Å; L93-M189 HydrophobicContact CD2-CE 4.14Å; L93-M189 HydrophobicContact CD2-SD 4.38Å; L93-M189 HydrophobicContact CG-SD 4.39Å; P95-M189 CarbonylContact C-O 3.55Å; P95-M189 WeakPolarHBondContact CA-O 3.21Å; P95-M189 HydrophobicContact CB-CG 4.05Å; P95-M189 HydrophobicContact CG-CG 4.24Å; P95-M189 HydrophobicContact CG-SD 4.14Å; D96-M189 PolarHBondContact N-O 2.89Å; D96-M189 PolarHBondContact OD2-N 2.8Å; M189-I206 WeakPolarHBondContact CA-O 3.15Å; M189-I206 HydrophobicContact CE-CG2 4.26Å; M189-W224 HydrophobicContact SD-CZ3 4.4Å
190	L	98.8	Very high	98.1	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.3	-178.3	-176.3	155	0	0	0	109.8	R97 A99 I179 V188 T197 I206 C207 I208	R97-L190 HydrophobicContact CG-CB 4.16Å; R97-L190 HydrophobicContact CG-CD1 3.75Å; R97-L190 HydrophobicContact CG-CG 3.79Å; A99-L190 HydrophobicContact CB-CD2 4.5Å; I179-L190 HydrophobicContact CD1-CD1 4.47Å; I179-L190 HydrophobicContact CD1-CD2 4.44Å; I179-L190 HydrophobicContact CG2-CD1 3.81Å; V188-L190 HydrophobicContact CG2-CB 4.48Å; L190-T197 HydrophobicContact CD2-CG2 3.4Å; L190-T197 VanDerWaalsContact CD2-CG2 3.4Å; L190-I206 PolarHBondContact N-O 3.03Å; L190-C207 HydrophobicContact CB-CB 4.38Å; L190-C207 HydrophobicContact CD2-CB 4.41Å; L190-C207 CarbonylContact O-C 3.45Å; L190-C207 VanDerWaalsContact O-CA 3.25Å; L190-C207 WeakPolarHBondContact O-CA 3.45Å; L190-I208 PolarHBondContact O-N 3.43Å
191	I	98.6	Very high	98.1	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140	166.1	60.4	160.4	0	0	0	110.6	P95 R97 V98 A99 I208 V210 V218 W224	P95-I191 HydrophobicContact CB-CG1 4.18Å; P95-I191 HydrophobicContact CB-CG2 4.18Å; P95-I191 HydrophobicContact CG-CG1 4.34Å; P95-I191 HydrophobicContact CG-CG2 3.87Å; R97-I191 PolarHBondContact O-N 2.79Å; V98-I191 CarbonylContact C-O 3.49Å; V98-I191 WeakPolarHBondContact CA-O 3.4Å; V98-I191 HydrophobicContact CG2-CD1 4.09Å; V98-I191 HydrophobicContact CG2-CG1 3.95Å; A99-I191 PolarHBondContact N-O 2.97Å; I191-I208 WeakPolarHBondContact CA-O 3.22Å; I191-V210 HydrophobicContact CB-CG1 4.28Å; I191-V210 HydrophobicContact CB-CG2 4.03Å; I191-V210 HydrophobicContact CD1-CG2 4.14Å; I191-V210 HydrophobicContact CG2-CG1 4.24Å; I191-V218 HydrophobicContact CD1-CB 3.83Å; I191-V218 HydrophobicContact CD1-CG1 4.4Å; I191-V218 HydrophobicContact CD1-CG2 3.39Å; I191-V218 HydrophobicContact CG1-CG2 4.37Å; I191-W224 HydrophobicContact CG2-CD2 4.23Å; I191-W224 HydrophobicContact CG2-CE3 4Å; I191-W224 HydrophobicContact CG2-CH2 3.94Å; I191-W224 HydrophobicContact CG2-CZ2 4.18Å; I191-W224 HydrophobicContact CG2-CZ3 3.85Å
192	G	98	Very high	98.1	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.5	-178	0	0	0	0	0	111.6	A99 D194 T197 I208 G209 V210	A99-G192 CarbonylContact O-C 3.5Å; A99-G192 WeakPolarHBondContact O-CA 3.46Å; G192-D194 PolarHBondContact O-N 2.86Å; G192-T197 WeakPolarHBondContact CA-OG1 3.45Å; G192-I208 PolarHBondContact N-O 3.3Å; G192-G209 CarbonylContact O-C 3.51Å; G192-G209 WeakPolarHBondContact O-CA 3.49Å; G192-V210 PolarHBondContact O-N 3.37Å
193	T	96.8	Very high	98.1	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	S	Bend	trans	-77	41.8	176.9	62.3	0	0	0	0	112.8	A99 M100 Q101 T104 V210 A215 S673	A99-T193 PolarHBondContact O-N 2.82Å; M100-T193 VanDerWaalsContact CA-OG1 3.31Å; M100-T193 WeakPolarHBondContact CA-OG1 3.39Å; M100-T193 HydrophobicContact CG-CG2 3.89Å; Q101-T193 PolarHBondContact NE2-O 3.21Å; T104-T193 WeakPolarHBondContact OG1-CB 3.38Å; T104-T193 PolarHBondContact OG1-O 2.92Å; T104-T193 PolarHBondContact OG1-OG1 3.08Å; T193-V210 WeakPolarHBondContact CA-O 3.24Å; T193-A215 HydrophobicContact CG2-CB 3.51Å; T193-S673 PolarHBondContact O-OG 2.9Å
194	D	96.1	Very high	98.1	Very high	9 Å²	9	2 Å²	2	5%	0.048	1%	0.012	C	C	.	.	S	Bend	trans	-149.5	142.8	-178.5	-170	-89.8	0	0	0	110.8	Q101 H130 H176 G192 H196 T197 G209 S673	Q101-D194 HydrophobicContact CG-CB 4.12Å; H130-D194 IonicContact NE2-OD2 2.73Å; H176-D194 IonicContact CD2-OD1 2.86Å; H176-D194 IonicContact CE1-OD1 3.61Å; H176-D194 PolarHBondContact CE1-OD1 3.37Å; H176-D194 IonicContact NE2-OD1 3.39Å; H176-D194 PolarHBondContact NE2-OD1 2.93Å; G192-D194 PolarHBondContact O-N 2.86Å; D194-H196 VanDerWaalsContact C-N 3.3Å; D194-H196 PolarHBondContact O-N 2.91Å; D194-H196 WeakPolarHBondContact OD1-CB 3.38Å; D194-H196 PolarHBondContact OD1-N 3.07Å; D194-H196 IonicContact OD1-ND1 2.75Å; D194-T197 WeakPolarHBondContact O-CB 3.41Å; D194-T197 PolarHBondContact O-N 3.08Å; D194-T197 PolarHBondContact O-OG1 3.44Å; D194-G209 WeakPolarHBondContact O-CA 3.4Å; D194-S673 VanDerWaalsContact CA-OG 3.23Å; D194-S673 WeakPolarHBondContact CA-OG 3.33Å; D194-S673 PolarHBondContact N-OG 2.7Å
195	S	93	Very high	98.1	Very high	8 Å²	8	2 Å²	2	6%	0.056	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.1	-177.8	46.1	0	0	0	0	114	T197 P198 A290 R477 S673	S195-T197 VanDerWaalsContact C-N 3.29Å; S195-T197 PolarHBondContact O-N 2.77Å; S195-P198 WeakPolarHBondContact O-CD 3.3Å; S195-A290 WeakPolarHBondContact O-CB 3.32Å; S195-R477 PolarHBondContact OG-NH2 2.72Å; S195-S673 PolarHBondContact N-OG 3.25Å
196	H	97.3	Very high	98.1	Very high	12 Å²	12	1.9 Å²	1.9	6%	0.056	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.6	-176.3	-62.7	101.1	0	0	0	113.4	H176 D194 P198 N199 N287 E291 N476 R477	H176-H196 WeakPolarHBondContact NE2-CB 3.42Å; D194-H196 VanDerWaalsContact C-N 3.3Å; D194-H196 PolarHBondContact O-N 2.91Å; D194-H196 WeakPolarHBondContact OD1-CB 3.38Å; D194-H196 PolarHBondContact OD1-N 3.07Å; D194-H196 IonicContact OD1-ND1 2.75Å; H196-P198 VanDerWaalsContact O-N 3.11Å; H196-N199 VanDerWaalsContact O-CB 3.25Å; H196-N199 WeakPolarHBondContact O-CB 3.44Å; H196-N199 PolarHBondContact O-N 3.13Å; H196-N287 PolarHBondContact CD2-O 3.47Å; H196-N287 PolarHBondContact CD2-OD1 3.36Å; H196-N287 VanDerWaalsContact CD2-OD1 3.3Å; H196-E291 IonicContact CD2-OE1 3.29Å; H196-E291 IonicContact CD2-OE2 3.02Å; H196-E291 IonicContact CE1-OE1 3.81Å; H196-E291 IonicContact NE2-OE1 3.19Å; H196-E291 PolarHBondContact NE2-OE1 3.12Å; H196-E291 IonicContact NE2-OE2 3.12Å; H196-E291 PolarHBondContact NE2-OE2 3.41Å; H196-N476 PolarHBondContact CD2-ND2 2.79Å; H196-N476 PolarHBondContact CE1-ND2 3.23Å; H196-N476 VanDerWaalsContact CE1-ND2 3.34Å; H196-N476 PolarHBondContact NE2-ND2 3.5Å; H196-R477 PolarHBondContact CE1-NE 3.05Å
197	T	98.6	Very high	98.1	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.006	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-47.9	-32.6	169.7	-56.6	0	0	0	0	114.1	H176 L190 G192 D194 S195 N199 G200 C207	H176-T197 VanDerWaalsContact CE1-CA 3.42Å; H176-T197 WeakPolarHBondContact CE1-CA 3.3Å; H176-T197 PolarHBondContact CE1-N 3.27Å; L190-T197 HydrophobicContact CD2-CG2 3.4Å; L190-T197 VanDerWaalsContact CD2-CG2 3.4Å; G192-T197 WeakPolarHBondContact CA-OG1 3.45Å; D194-T197 WeakPolarHBondContact O-CB 3.41Å; D194-T197 PolarHBondContact O-N 3.08Å; D194-T197 PolarHBondContact O-OG1 3.44Å; S195-T197 VanDerWaalsContact C-N 3.29Å; S195-T197 PolarHBondContact O-N 2.77Å; T197-N199 PolarHBondContact O-N 2.84Å; T197-G200 PolarHBondContact O-N 3.41Å; T197-C207 HydrophobicContact CG2-CB 3.94Å; T197-C207 WeakPolarHBondContact O-CB 3.22Å
198	P	98.6	Very high	98.1	Very high	2 Å²	2	1.8 Å²	1.8	1%	0.013	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-50.7	-18	171	-32.7	40.3	0	0	0	116.1	S195 H196 G200 G201 C207 C286 T296	S195-P198 WeakPolarHBondContact O-CD 3.3Å; H196-P198 VanDerWaalsContact O-N 3.11Å; P198-G200 PolarHBondContact O-N 3.26Å; P198-G200 VanDerWaalsContact O-N 3.07Å; P198-G201 PolarHBondContact O-N 2.84Å; P198-C207 VanDerWaalsContact CA-O 3.26Å; P198-C207 WeakPolarHBondContact CA-O 3.21Å; P198-C286 WeakPolarHBondContact CB-O 3.47Å; P198-C286 WeakPolarHBondContact O-CB 3.49Å; P198-T296 WeakPolarHBondContact CB-OG1 3.27Å
199	N	98.8	Very high	98	Very high	3 Å²	3	1.9 Å²	1.9	2%	0.016	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-44.4	-40.4	171.4	-170.3	83.2	0	0	0	113.7	H176 H196 T197 G201 G202 A283 N287	H176-N199 HydrophobicContact CB-CB 3.87Å; H176-N199 PolarHBondContact O-ND2 3.21Å; H196-N199 VanDerWaalsContact O-CB 3.25Å; H196-N199 WeakPolarHBondContact O-CB 3.44Å; H196-N199 PolarHBondContact O-N 3.13Å; T197-N199 PolarHBondContact O-N 2.84Å; N199-G201 PolarHBondContact O-N 3.03Å; N199-G201 VanDerWaalsContact O-N 3.16Å; N199-G202 PolarHBondContact O-N 3.32Å; N199-G202 VanDerWaalsContact O-N 3.16Å; N199-A283 WeakPolarHBondContact O-CA 3.29Å; N199-A283 WeakPolarHBondContact O-CB 3.33Å; N199-A283 PolarHBondContact OD1-O 3.24Å; N199-N287 HydrophobicContact CB-CB 4.06Å; N199-N287 WeakPolarHBondContact OD1-CB 3.43Å; N199-N287 PolarHBondContact OD1-ND2 3.47Å; N199-N287 VanDerWaalsContact OD1-ND2 3.15Å
200	G	98.5	Very high	97.8	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.6	179.8	0	0	0	0	0	114.9	T197 P198 G202 L203	T197-G200 PolarHBondContact O-N 3.41Å; P198-G200 PolarHBondContact O-N 3.26Å; P198-G200 VanDerWaalsContact O-N 3.07Å; G200-G202 PolarHBondContact O-N 2.89Å; G200-L203 PolarHBondContact O-N 3.38Å
201	G	98.7	Very high	97.5	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-67	-15.3	173.9	0	0	0	0	0	114.3	P198 N199 L203 G204 G205 S297 F299	P198-G201 PolarHBondContact O-N 2.84Å; N199-G201 PolarHBondContact O-N 3.03Å; N199-G201 VanDerWaalsContact O-N 3.16Å; G201-L203 PolarHBondContact O-N 3.31Å; G201-G204 PolarHBondContact O-N 3.31Å; G201-G204 VanDerWaalsContact O-N 3.14Å; G201-G205 VanDerWaalsContact CA-O 3.24Å; G201-G205 WeakPolarHBondContact CA-O 3.33Å; G201-S297 WeakPolarHBondContact CA-O 3.21Å; G201-F299 PolarHBondContact O-N 3.04Å; G201-F299 VanDerWaalsContact O-N 3.12Å
202	G	98.6	Very high	97.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.013	C	C	.	.	G	3₁₀ helix	trans	-66.5	-9.7	166.8	0	0	0	0	0	114.3	N199 G200 C279 M305	N199-G202 PolarHBondContact O-N 3.32Å; N199-G202 VanDerWaalsContact O-N 3.16Å; G200-G202 PolarHBondContact O-N 2.89Å; G202-C279 PolarHBondContact O-SG 3.1Å; G202-C279 VanDerWaalsContact O-SG 3.33Å; G202-M305 WeakPolarHBondContact O-CE 3.4Å
203	L	98.8	Very high	96.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-118	27.3	173	-157.7	66.1	0	0	0	111.6	L180 A184 Y185 P186 G200 G201 G205 C279 M305 Y308 L309	L180-L203 HydrophobicContact CD1-CB 3.78Å; L180-L203 HydrophobicContact CD1-CD2 4.31Å; A184-L203 HydrophobicContact CB-CB 4.23Å; A184-L203 HydrophobicContact CB-CD2 3.96Å; A184-L203 WeakPolarHBondContact O-CD2 3.48Å; Y185-L203 CarbonylContact C-O 3.45Å; Y185-L203 VanDerWaalsContact C-O 3.29Å; P186-L203 VanDerWaalsContact CA-O 3.31Å; P186-L203 WeakPolarHBondContact CA-O 3.49Å; P186-L203 WeakPolarHBondContact CD-O 3.37Å; P186-L203 VanDerWaalsContact N-O 3.09Å; G200-L203 PolarHBondContact O-N 3.38Å; G201-L203 PolarHBondContact O-N 3.31Å; L203-G205 VanDerWaalsContact C-N 3.32Å; L203-G205 PolarHBondContact O-N 3.41Å; L203-C279 WeakPolarHBondContact CD1-SG 3.4Å; L203-M305 HydrophobicContact CD1-CB 3.86Å; L203-M305 HydrophobicContact CD1-CG 4.14Å; L203-Y308 HydrophobicContact CD1-CD1 3.9Å; L203-Y308 HydrophobicContact CD2-CD1 4.41Å; L203-L309 HydrophobicContact CD1-CD2 4.45Å; L203-L309 HydrophobicContact CD1-CG 4.21Å; L203-L309 HydrophobicContact CD2-CD2 3.97Å; L203-L309 HydrophobicContact CG-CD2 4.47Å
204	G	98.6	Very high	96.8	Very high	2 Å²	2	2.6 Å²	2.6	2%	0.021	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	13.5	170.9	0	0	0	0	0	115.8	I71 G187 G201 F299 M305	I71-G204 WeakPolarHBondContact CD1-O 3.49Å; G187-G204 PolarHBondContact N-O 3.49Å; G201-G204 PolarHBondContact O-N 3.31Å; G201-G204 VanDerWaalsContact O-N 3.14Å; G204-F299 WeakPolarHBondContact CA-O 3.29Å; G204-M305 PolarHBondContact N-SD 3.2Å
205	G	98.6	Very high	96.8	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.014	C	C	.	.			trans	-93.1	158.7	175.8	0	0	0	0	0	113.7	V188 G201 L203 V298	V188-G205 CarbonylContact O-C 3.5Å; V188-G205 WeakPolarHBondContact O-CA 3.31Å; G201-G205 VanDerWaalsContact CA-O 3.24Å; G201-G205 WeakPolarHBondContact CA-O 3.33Å; L203-G205 VanDerWaalsContact C-N 3.32Å; L203-G205 PolarHBondContact O-N 3.41Å; G205-V298 WeakPolarHBondContact O-CG2 3.4Å
206	I	98.8	Very high	96.9	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	99.2	164.2	-68.4	-61.6	0	0	0	108.2	I71 V72 V188 M189 L190 I208 I266 T296 V298	I71-I206 HydrophobicContact CB-CG1 3.62Å; I71-I206 HydrophobicContact CD1-CG1 4.02Å; I71-I206 HydrophobicContact CG1-CG1 4.43Å; I71-I206 HydrophobicContact CG2-CB 3.84Å; I71-I206 HydrophobicContact CG2-CG1 3.46Å; I71-I206 VanDerWaalsContact CG2-CG1 3.46Å; V72-I206 HydrophobicContact CG2-CG1 4.3Å; V72-I206 HydrophobicContact CG2-CG2 4.04Å; V188-I206 PolarHBondContact O-N 2.83Å; M189-I206 WeakPolarHBondContact CA-O 3.15Å; M189-I206 HydrophobicContact CE-CG2 4.26Å; L190-I206 PolarHBondContact N-O 3.03Å; I206-I208 HydrophobicContact CG2-CD1 3.65Å; I206-I208 HydrophobicContact CG2-CG1 3.99Å; I206-I266 HydrophobicContact CD1-CD1 4.35Å; I206-T296 HydrophobicContact CD1-CG2 4.07Å; I206-T296 HydrophobicContact CG2-CG2 4.15Å; I206-V298 HydrophobicContact CD1-CB 4.07Å; I206-V298 HydrophobicContact CD1-CG1 4.07Å; I206-V298 HydrophobicContact CD1-CG2 4.28Å
207	C	98.8	Very high	96.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.9	-176.4	-55.8	0	0	0	0	110	L190 T197 P198 T296	L190-C207 HydrophobicContact CB-CB 4.38Å; L190-C207 HydrophobicContact CD2-CB 4.41Å; L190-C207 CarbonylContact O-C 3.45Å; L190-C207 VanDerWaalsContact O-CA 3.25Å; L190-C207 WeakPolarHBondContact O-CA 3.45Å; T197-C207 HydrophobicContact CG2-CB 3.94Å; T197-C207 WeakPolarHBondContact O-CB 3.22Å; P198-C207 VanDerWaalsContact CA-O 3.26Å; P198-C207 WeakPolarHBondContact CA-O 3.21Å; C207-T296 VanDerWaalsContact O-CB 3.26Å; C207-T296 WeakPolarHBondContact O-CB 3.47Å; C207-T296 PolarHBondContact O-OG1 2.98Å
208	I	98.5	Very high	96.7	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.7	-169.3	-63.4	169.3	0	0	0	111	L190 I191 G192 I206 V210 W224 L226 T295 T296	L190-I208 PolarHBondContact O-N 3.43Å; I191-I208 WeakPolarHBondContact CA-O 3.22Å; G192-I208 PolarHBondContact N-O 3.3Å; I206-I208 HydrophobicContact CG2-CD1 3.65Å; I206-I208 HydrophobicContact CG2-CG1 3.99Å; I208-V210 HydrophobicContact CG2-CG1 4.25Å; I208-W224 HydrophobicContact CB-CH2 4.03Å; I208-W224 HydrophobicContact CD1-CH2 3.66Å; I208-W224 HydrophobicContact CD1-CZ3 4.13Å; I208-W224 HydrophobicContact CG1-CH2 4.43Å; I208-W224 HydrophobicContact CG2-CH2 3.83Å; I208-W224 HydrophobicContact CG2-CZ2 4.12Å; I208-L226 HydrophobicContact CD1-CD2 3.72Å; I208-T295 HydrophobicContact CD1-CG2 4.04Å; I208-T295 HydrophobicContact CG1-CG2 4.29Å; I208-T295 HydrophobicContact CG2-CG2 4.18Å; I208-T296 HydrophobicContact CD1-CG2 4.37Å; I208-T296 HydrophobicContact CG1-CG2 3.82Å
209	G	96.4	Very high	96.6	Very high	2 Å²	2	2 Å²	2	2%	0.021	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.2	174.2	0	0	0	0	0	112.1	G192 D194 R696 I697	G192-G209 CarbonylContact O-C 3.51Å; G192-G209 WeakPolarHBondContact O-CA 3.49Å; D194-G209 WeakPolarHBondContact O-CA 3.4Å; G209-R696 PolarHBondContact O-NH2 3.15Å; G209-I697 WeakPolarHBondContact O-CD1 3.42Å
210	V	95.4	Very high	96.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.021	C	C	.	.			trans	-136.2	170.9	-177.3	-61.7	0	0	0	0	112.1	I191 G192 T193 I208 D214 W224 S673	I191-V210 HydrophobicContact CB-CG1 4.28Å; I191-V210 HydrophobicContact CB-CG2 4.03Å; I191-V210 HydrophobicContact CD1-CG2 4.14Å; I191-V210 HydrophobicContact CG2-CG1 4.24Å; G192-V210 PolarHBondContact O-N 3.37Å; T193-V210 WeakPolarHBondContact CA-O 3.24Å; I208-V210 HydrophobicContact CG2-CG1 4.25Å; V210-D214 HydrophobicContact CB-CB 3.74Å; V210-D214 HydrophobicContact CG1-CB 4.24Å; V210-D214 HydrophobicContact CG2-CB 3.95Å; V210-W224 HydrophobicContact CG1-CZ2 3.68Å; V210-S673 WeakPolarHBondContact O-CB 3.38Å
211	G	92.9	Very high	96.2	Very high	2 Å²	2	4.3 Å²	4.3	2%	0.021	4%	0.036	C	C	.	.			trans	-79.3	169.8	167.6	0	0	0	0	0	112.5	A213 D214 A215 N702	G211-A213 PolarHBondContact O-N 3.48Å; G211-D214 PolarHBondContact O-N 3.01Å; G211-A215 PolarHBondContact O-N 3.01Å; G211-N702 WeakPolarHBondContact CA-OD1 3.31Å
212	G	92.4	Very high	95.9	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-62.5	-39.5	-179.8	0	0	0	0	0	113.2	D214 A215 V216 E675	G212-D214 VanDerWaalsContact C-N 3.31Å; G212-D214 PolarHBondContact O-N 2.89Å; G212-A215 WeakPolarHBondContact O-CB 3.35Å; G212-A215 PolarHBondContact O-N 3.45Å; G212-A215 VanDerWaalsContact O-N 3.12Å; G212-V216 WeakPolarHBondContact O-CG2 3.36Å; G212-V216 PolarHBondContact O-N 3.44Å; G212-E675 WeakPolarHBondContact CA-OE1 3.47Å; G212-E675 WeakPolarHBondContact CA-OE2 3.45Å; G212-E675 PolarHBondContact N-OE2 3.17Å
213	A	90.9	Very high	95.8	Very high	6 Å²	6	9 Å²	9	5%	0.05	6%	0.063	C	C	.	.	H	α-helix	trans	-58.6	-36.5	176.8	0	0	0	0	0	114.2	G211 V216 D217 E675 K705	G211-A213 PolarHBondContact O-N 3.48Å; A213-V216 WeakPolarHBondContact O-CB 3.42Å; A213-V216 PolarHBondContact O-N 3.09Å; A213-D217 PolarHBondContact O-N 3.13Å; A213-D217 VanDerWaalsContact O-N 3.08Å; A213-E675 PolarHBondContact N-OE2 3.5Å; A213-K705 HydrophobicContact CB-CB 3.99Å; A213-K705 HydrophobicContact CB-CD 4.06Å; A213-K705 HydrophobicContact CB-CG 3.97Å
214	D	94.6	Very high	95.7	Very high	5 Å²	5	9 Å²	9	3%	0.027	6%	0.063	C	C	.	.	H	α-helix	trans	-69.9	-38.7	175.2	-86.9	6	0	0	0	111.8	V210 G211 G212 V216 D217 V218 W224 T701 K705	V210-D214 HydrophobicContact CB-CB 3.74Å; V210-D214 HydrophobicContact CG1-CB 4.24Å; V210-D214 HydrophobicContact CG2-CB 3.95Å; G211-D214 PolarHBondContact O-N 3.01Å; G212-D214 VanDerWaalsContact C-N 3.31Å; G212-D214 PolarHBondContact O-N 2.89Å; D214-V216 PolarHBondContact O-N 2.86Å; D214-D217 WeakPolarHBondContact O-CB 3.34Å; D214-D217 PolarHBondContact O-N 3.44Å; D214-V218 PolarHBondContact O-N 2.84Å; D214-W224 PolarHBondContact OD2-NE1 3.15Å; D214-T701 HydrophobicContact CB-CG2 4.34Å; D214-T701 WeakPolarHBondContact OD1-CG2 3.39Å; D214-T701 WeakPolarHBondContact OD2-CG2 3.27Å; D214-T701 PolarHBondContact OD2-OG1 3.11Å; D214-K705 WeakPolarHBondContact OD1-CE 3.28Å
215	A	96	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.8	-39	172.1	0	0	0	0	0	110.8	V98 T193 G211 G212 V218 M219	V98-A215 HydrophobicContact CG1-CB 3.74Å; T193-A215 HydrophobicContact CG2-CB 3.51Å; G211-A215 PolarHBondContact O-N 3.01Å; G212-A215 WeakPolarHBondContact O-CB 3.35Å; G212-A215 PolarHBondContact O-N 3.45Å; G212-A215 VanDerWaalsContact O-N 3.12Å; A215-V218 PolarHBondContact O-N 3.15Å; A215-M219 HydrophobicContact CB-CE 4.43Å; A215-M219 WeakPolarHBondContact O-CB 3.37Å; A215-M219 VanDerWaalsContact O-CG 3.24Å; A215-M219 WeakPolarHBondContact O-CG 3.41Å; A215-M219 PolarHBondContact O-N 2.98Å
216	V	95.3	Very high	95.4	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-41	175.9	173.8	0	0	0	0	112	A108 Q111 F112 G212 A213 D214 V218 M219 A220 M779	A108-V216 VanDerWaalsContact O-CG2 3.23Å; A108-V216 WeakPolarHBondContact O-CG2 3.24Å; Q111-V216 HydrophobicContact CB-CG2 3.9Å; F112-V216 HydrophobicContact CB-CG2 4.22Å; F112-V216 HydrophobicContact CD2-CG1 4.3Å; G212-V216 WeakPolarHBondContact O-CG2 3.36Å; G212-V216 PolarHBondContact O-N 3.44Å; A213-V216 WeakPolarHBondContact O-CB 3.42Å; A213-V216 PolarHBondContact O-N 3.09Å; D214-V216 PolarHBondContact O-N 2.86Å; V216-V218 PolarHBondContact O-N 2.89Å; V216-M219 HydrophobicContact CG2-CE 3.97Å; V216-M219 CarbonylContact O-C 3.57Å; V216-M219 PolarHBondContact O-N 2.92Å; V216-A220 WeakPolarHBondContact O-CB 3.4Å; V216-A220 PolarHBondContact O-N 3.48Å; V216-M779 HydrophobicContact CG1-CE 4.08Å; V216-M779 HydrophobicContact CG1-SD 4.46Å
217	D	93.8	Very high	95.2	Very high	10 Å²	10	13.4 Å²	13.4	5%	0.053	8%	0.082	C	C	.	.	H	α-helix	trans	-55.1	-51	175	-75.5	-3	0	0	0	111.4	A213 D214 A220 G221 I222 K705	A213-D217 PolarHBondContact O-N 3.13Å; A213-D217 VanDerWaalsContact O-N 3.08Å; D214-D217 WeakPolarHBondContact O-CB 3.34Å; D214-D217 PolarHBondContact O-N 3.44Å; D217-A220 CarbonylContact O-C 3.52Å; D217-A220 WeakPolarHBondContact O-CA 3.29Å; D217-A220 WeakPolarHBondContact O-CB 3.41Å; D217-A220 PolarHBondContact O-N 3.01Å; D217-A220 VanDerWaalsContact O-N 3.11Å; D217-G221 PolarHBondContact O-N 3Å; D217-G221 VanDerWaalsContact O-N 3.08Å; D217-I222 HydrophobicContact CB-CB 4.18Å; D217-I222 HydrophobicContact CB-CG2 4.49Å; D217-I222 WeakPolarHBondContact O-CB 3.35Å; D217-I222 PolarHBondContact O-N 3.33Å; D217-K705 IonicContact OD1-NZ 3.84Å; D217-K705 PolarHBondContact OD1-NZ 2.8Å; D217-K705 VanDerWaalsContact OD1-NZ 3.1Å; D217-K705 IonicContact OD2-NZ 3.59Å; D217-K705 PolarHBondContact OD2-NZ 3.46Å
218	V	97.2	Very high	95.1	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.036	8%	0.082	C	C	.	.	H	α-helix	trans	-68.4	-41.6	-177.8	179.5	0	0	0	0	111	P95 V98 V122 I191 D214 A215 V216 A220 G221 W224	P95-V218 HydrophobicContact CB-CG1 4.13Å; P95-V218 HydrophobicContact CG-CG1 4.34Å; P95-V218 HydrophobicContact CG-CG2 3.9Å; V98-V218 HydrophobicContact CG2-CB 3.91Å; V98-V218 HydrophobicContact CG2-CG1 3.69Å; V122-V218 HydrophobicContact CG1-CG1 4.36Å; V122-V218 HydrophobicContact CG2-CG1 3.65Å; I191-V218 HydrophobicContact CD1-CB 3.83Å; I191-V218 HydrophobicContact CD1-CG1 4.4Å; I191-V218 HydrophobicContact CD1-CG2 3.39Å; I191-V218 HydrophobicContact CG1-CG2 4.37Å; D214-V218 PolarHBondContact O-N 2.84Å; A215-V218 PolarHBondContact O-N 3.15Å; V216-V218 PolarHBondContact O-N 2.89Å; V218-A220 PolarHBondContact O-N 3.22Å; V218-G221 PolarHBondContact O-N 3.4Å; V218-W224 HydrophobicContact CG2-CB 3.65Å; V218-W224 HydrophobicContact CG2-CG 4.28Å
219	M	97.2	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-28.8	172.5	-72.8	-169.8	-60.1	0	0	112.1	V98 M100 F112 V120 A121 A215 V216 G221	V98-M219 HydrophobicContact CB-CG 4.26Å; V98-M219 HydrophobicContact CG1-CG 4.25Å; V98-M219 HydrophobicContact CG1-SD 4.37Å; V98-M219 HydrophobicContact CG2-CG 4.02Å; M100-M219 HydrophobicContact CE-CE 4.12Å; M100-M219 HydrophobicContact CE-SD 3.61Å; M100-M219 HydrophobicContact SD-CE 3.94Å; M100-M219 HydrophobicContact SD-SD 4.18Å; F112-M219 HydrophobicContact CB-CE 4.42Å; F112-M219 HydrophobicContact CD2-CB 3.95Å; F112-M219 HydrophobicContact CD2-CE 4.26Å; F112-M219 HydrophobicContact CE2-CB 3.82Å; V120-M219 CarbonylContact C-O 3.59Å; V120-M219 WeakPolarHBondContact CA-O 3.45Å; V120-M219 HydrophobicContact CB-CB 4.15Å; V120-M219 HydrophobicContact CB-CG 4.25Å; V120-M219 HydrophobicContact CG1-CB 3.93Å; V120-M219 HydrophobicContact CG1-CG 3.95Å; V120-M219 HydrophobicContact CG1-SD 3.76Å; A121-M219 WeakPolarHBondContact CB-O 3.48Å; A121-M219 PolarHBondContact N-O 2.76Å; A215-M219 HydrophobicContact CB-CE 4.43Å; A215-M219 WeakPolarHBondContact O-CB 3.37Å; A215-M219 VanDerWaalsContact O-CG 3.24Å; A215-M219 WeakPolarHBondContact O-CG 3.41Å; A215-M219 PolarHBondContact O-N 2.98Å; V216-M219 HydrophobicContact CG2-CE 3.97Å; V216-M219 CarbonylContact O-C 3.57Å; V216-M219 PolarHBondContact O-N 2.92Å; M219-G221 VanDerWaalsContact C-N 3.33Å
220	A	94.7	Very high	95.1	Very high	21 Å²	21	18.5 Å²	18.5	17%	0.174	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.1	176.1	0	0	0	0	0	113.5	L117 V216 D217 V218 I222 M779	L117-A220 HydrophobicContact CD1-CB 3.39Å; V216-A220 WeakPolarHBondContact O-CB 3.4Å; V216-A220 PolarHBondContact O-N 3.48Å; D217-A220 CarbonylContact O-C 3.52Å; D217-A220 WeakPolarHBondContact O-CA 3.29Å; D217-A220 WeakPolarHBondContact O-CB 3.41Å; D217-A220 PolarHBondContact O-N 3.01Å; D217-A220 VanDerWaalsContact O-N 3.11Å; V218-A220 PolarHBondContact O-N 3.22Å; A220-I222 HydrophobicContact CB-CD1 4.09Å; A220-I222 HydrophobicContact CB-CG1 4.23Å; A220-M779 HydrophobicContact CB-CE 4.44Å; A220-M779 HydrophobicContact CB-SD 4.17Å
221	G	93.9	Very high	95.3	Very high	32 Å²	32	18.7 Å²	18.7	33%	0.33	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	22.8	-176.9	0	0	0	0	0	113.8	R94 D217 V218 M219	R94-G221 VanDerWaalsContact NH1-C 3.3Å; R94-G221 PolarHBondContact NH1-O 2.97Å; D217-G221 PolarHBondContact O-N 3Å; D217-G221 VanDerWaalsContact O-N 3.08Å; V218-G221 PolarHBondContact O-N 3.4Å; M219-G221 VanDerWaalsContact C-N 3.33Å
222	I	93.5	Very high	95.6	Very high	61 Å²	61	18.8 Å²	18.8	31%	0.313	11%	0.105	S	C	.	.	P	Polyproline II helix	trans	-92.5	139.9	174.5	-60	170.2	0	0	0	108.6	D217 A220 W224 M779	D217-I222 HydrophobicContact CB-CB 4.18Å; D217-I222 HydrophobicContact CB-CG2 4.49Å; D217-I222 WeakPolarHBondContact O-CB 3.35Å; D217-I222 PolarHBondContact O-N 3.33Å; A220-I222 HydrophobicContact CB-CD1 4.09Å; A220-I222 HydrophobicContact CB-CG1 4.23Å; I222-W224 PolarHBondContact O-N 3.32Å; I222-M779 HydrophobicContact CD1-CE 3.53Å; I222-M779 HydrophobicContact CD1-CG 3.84Å; I222-M779 HydrophobicContact CD1-SD 3.96Å
223	P	95.4	Very high	95.9	Very high	37 Å²	37	18.8 Å²	18.8	24%	0.24	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-57.1	132.8	173.6	-22	31.3	0	0	0	111.5	R92	R92-P223 HydrophobicContact CB-CB 4.14Å
224	W	96.7	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.8	176.2	171.8	60.3	0	0	0	110.5	L93 P95 M189 I191 I208 V210 D214 V218 I222 L226	L93-W224 HydrophobicContact CB-CE3 3.97Å; L93-W224 HydrophobicContact CD1-CE3 3.83Å; L93-W224 HydrophobicContact CD1-CZ3 3.67Å; L93-W224 PolarHBondContact N-O 3.01Å; L93-W224 PolarHBondContact O-N 2.97Å; P95-W224 HydrophobicContact CG-CB 4.32Å; P95-W224 HydrophobicContact CG-CD2 4.34Å; P95-W224 HydrophobicContact CG-CE3 3.69Å; P95-W224 HydrophobicContact CG-CZ3 4.4Å; M189-W224 HydrophobicContact SD-CZ3 4.4Å; I191-W224 HydrophobicContact CG2-CD2 4.23Å; I191-W224 HydrophobicContact CG2-CE3 4Å; I191-W224 HydrophobicContact CG2-CH2 3.94Å; I191-W224 HydrophobicContact CG2-CZ2 4.18Å; I191-W224 HydrophobicContact CG2-CZ3 3.85Å; I208-W224 HydrophobicContact CB-CH2 4.03Å; I208-W224 HydrophobicContact CD1-CH2 3.66Å; I208-W224 HydrophobicContact CD1-CZ3 4.13Å; I208-W224 HydrophobicContact CG1-CH2 4.43Å; I208-W224 HydrophobicContact CG2-CH2 3.83Å; I208-W224 HydrophobicContact CG2-CZ2 4.12Å; V210-W224 HydrophobicContact CG1-CZ2 3.68Å; D214-W224 PolarHBondContact OD2-NE1 3.15Å; V218-W224 HydrophobicContact CG2-CB 3.65Å; V218-W224 HydrophobicContact CG2-CG 4.28Å; I222-W224 PolarHBondContact O-N 3.32Å; W224-L226 HydrophobicContact CH2-CB 3.97Å; W224-L226 HydrophobicContact CH2-CD1 3.92Å; W224-L226 HydrophobicContact CH2-CD2 3.88Å; W224-L226 HydrophobicContact CH2-CG 4.13Å; W224-L226 HydrophobicContact CZ2-CB 4.21Å; W224-L226 HydrophobicContact CZ2-CD1 4.03Å; W224-L226 HydrophobicContact CZ3-CB 4.14Å; W224-L226 HydrophobicContact CZ3-CD2 4.14Å
225	E	94.6	Very high	96.5	Very high	26 Å²	26	22.5 Å²	22.5	12%	0.121	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.8	178.8	-69.7	-172.1	166.4	0	0	111.9	Y90 L91 R92 N763 T765 Q766	Y90-E225 HydrophobicContact CD1-CB 4.43Å; L91-E225 CarbonylContact O-C 3.57Å; L91-E225 VanDerWaalsContact O-CA 3.3Å; L91-E225 WeakPolarHBondContact O-CA 3.5Å; R92-E225 HydrophobicContact CG-CG 4.38Å; E225-N763 VanDerWaalsContact CD-ND2 3.33Å; E225-N763 PolarHBondContact OE1-ND2 3.43Å; E225-N763 PolarHBondContact OE2-ND2 3.23Å; E225-T765 WeakPolarHBondContact OE1-CB 3.49Å; E225-T765 PolarHBondContact OE1-OG1 3.17Å; E225-Q766 PolarHBondContact OE2-NE2 3.24Å; E225-Q766 VanDerWaalsContact OE2-NE2 3.08Å
226	L	95.8	Very high	96.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.1	172.8	179.2	65	0	0	0	110	L91 L93 I208 W224 C228 P229 T295	L91-L226 WeakPolarHBondContact CB-O 3.37Å; L91-L226 PolarHBondContact N-O 2.7Å; L91-L226 PolarHBondContact O-N 2.88Å; L93-L226 HydrophobicContact CD1-CB 3.64Å; L93-L226 HydrophobicContact CD1-CD2 3.83Å; L93-L226 HydrophobicContact CD1-CG 4.38Å; I208-L226 HydrophobicContact CD1-CD2 3.72Å; W224-L226 HydrophobicContact CH2-CB 3.97Å; W224-L226 HydrophobicContact CH2-CD1 3.92Å; W224-L226 HydrophobicContact CH2-CD2 3.88Å; W224-L226 HydrophobicContact CH2-CG 4.13Å; W224-L226 HydrophobicContact CZ2-CB 4.21Å; W224-L226 HydrophobicContact CZ2-CD1 4.03Å; W224-L226 HydrophobicContact CZ3-CB 4.14Å; W224-L226 HydrophobicContact CZ3-CD2 4.14Å; L226-C228 PolarHBondContact O-N 3.28Å; L226-P229 HydrophobicContact CD2-CG 4.08Å; L226-T295 HydrophobicContact CD1-CG2 3.93Å; L226-T295 HydrophobicContact CD2-CG2 4.44Å
227	K	94.5	Very high	96.8	Very high	67 Å²	67	23.9 Å²	23.9	29%	0.291	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	123.3	168.8	-174.4	171.7	-178.9	175	0	109.2	G87 T89 Y90 P229	G87-K227 WeakPolarHBondContact O-CE 3.48Å; G87-K227 PolarHBondContact O-NZ 3.31Å; T89-K227 CarbonylContact O-C 3.55Å; T89-K227 WeakPolarHBondContact O-CA 2.84Å; Y90-K227 HydrophobicContact CD1-CB 4.19Å; Y90-K227 HydrophobicContact CE1-CB 3.9Å; K227-P229 VanDerWaalsContact O-CD 3.25Å; K227-P229 WeakPolarHBondContact O-CD 3.36Å; K227-P229 VanDerWaalsContact O-N 3.09Å
228	C	97.4	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.			trans	-52.1	115.5	-174.4	-169.1	0	0	0	0	109.5	D85 G87 T89 L91 L226	D85-C228 VanDerWaalsContact O-CB 3.29Å; D85-C228 WeakPolarHBondContact O-CB 3.32Å; G87-C228 WeakPolarHBondContact CA-O 3.2Å; G87-C228 PolarHBondContact N-O 3.23Å; T89-C228 WeakPolarHBondContact O-CB 3.36Å; T89-C228 PolarHBondContact O-N 3.05Å; L91-C228 HydrophobicContact CD1-CB 4.07Å; L91-C228 HydrophobicContact CD2-CB 4.02Å; L91-C228 HydrophobicContact CG-CB 3.88Å; L226-C228 PolarHBondContact O-N 3.28Å
229	P	97.5	Very high	97	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.045	16%	0.16	C	C	.	.			trans	-70.8	150.2	-173.7	-21.5	34.5	0	0	0	112.2	R86 L226 K227 G264 I266 T295	R86-P229 WeakPolarHBondContact CG-O 3.4Å; L226-P229 HydrophobicContact CD2-CG 4.08Å; K227-P229 VanDerWaalsContact O-CD 3.25Å; K227-P229 WeakPolarHBondContact O-CD 3.36Å; K227-P229 VanDerWaalsContact O-N 3.09Å; P229-G264 WeakPolarHBondContact CA-O 3.4Å; P229-I266 HydrophobicContact CB-CD1 3.96Å; P229-I266 HydrophobicContact CB-CG1 3.77Å; P229-I266 HydrophobicContact CG-CD1 3.77Å; P229-I266 HydrophobicContact CG-CG1 4Å; P229-T295 HydrophobicContact CG-CG2 4.42Å
230	K	98.5	Very high	96.9	Very high	103 Å²	103	30.1 Å²	30.1	45%	0.448	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	169.2	154.8	-68.3	-172	177.3	-170.8	0	110.1	R86 G264 A265 I266 D337	R86-K230 HydrophobicContact CB-CG 4.28Å; K230-G264 PolarHBondContact N-O 3.02Å; K230-A265 HydrophobicContact CB-CB 4Å; K230-A265 CarbonylContact O-C 3.51Å; K230-A265 WeakPolarHBondContact O-CA 3.19Å; K230-I266 PolarHBondContact O-N 3.45Å; K230-D337 WeakPolarHBondContact CA-OD2 3.35Å; K230-D337 HydrophobicContact CB-CB 4.24Å; K230-D337 HydrophobicContact CD-CB 4.43Å
231	V	98.8	Very high	96.9	Very high	3 Å²	3	32 Å²	32	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121	178.1	-165	0	0	0	0	110.8	T66 E69 I266 E268 Y336 D337	T66-V231 HydrophobicContact CG2-CB 4.37Å; T66-V231 HydrophobicContact CG2-CG1 4.19Å; T66-V231 HydrophobicContact CG2-CG2 4.3Å; E69-V231 HydrophobicContact CG-CG2 4.48Å; V231-I266 WeakPolarHBondContact CA-O 3.42Å; V231-E268 HydrophobicContact CG1-CB 3.84Å; V231-Y336 HydrophobicContact CB-CD1 4.16Å; V231-Y336 HydrophobicContact CG1-CD1 3.59Å; V231-Y336 HydrophobicContact CG1-CE1 3.84Å; V231-D337 PolarHBondContact N-OD2 3.06Å; V231-D337 PolarHBondContact O-N 2.81Å
232	I	98.9	Very high	97	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.7	172.9	-58.9	171.1	0	0	0	107.8	L257 G261 A265 I266 V267 E268 Q338	I232-L257 HydrophobicContact CD1-CD1 4.35Å; I232-L257 HydrophobicContact CG2-CD1 4.39Å; I232-G261 WeakPolarHBondContact CD1-O 3.4Å; I232-A265 HydrophobicContact CD1-CB 3.79Å; I232-A265 HydrophobicContact CG1-CB 3.81Å; I232-I266 PolarHBondContact N-O 2.84Å; I232-V267 HydrophobicContact CB-CG2 4.4Å; I232-V267 CarbonylContact O-C 3.52Å; I232-V267 WeakPolarHBondContact O-CA 3.45Å; I232-E268 PolarHBondContact O-N 2.95Å; I232-Q338 CarbonylContact C-O 3.56Å; I232-Q338 WeakPolarHBondContact CA-O 3.45Å; I232-Q338 HydrophobicContact CG1-CB 4.3Å; I232-Q338 HydrophobicContact CG2-CB 4.38Å; I232-Q338 HydrophobicContact CG2-CG 4.47Å
233	G	98.8	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.3	176.6	0	0	0	0	0	111.4	E268 Q338 V339 V340	G233-E268 CarbonylContact C-O 3.29Å; G233-E268 WeakPolarHBondContact CA-O 3.49Å; G233-Q338 PolarHBondContact N-O 2.78Å; G233-V339 CarbonylContact O-C 3.58Å; G233-V339 VanDerWaalsContact O-CA 3.27Å; G233-V339 WeakPolarHBondContact O-CA 3.2Å; G233-V340 PolarHBondContact O-N 3.08Å
234	V	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.7	170.8	-179	0	0	0	0	109	L236 V253 V267 E268 Y269 H270 V340 I342	V234-L236 HydrophobicContact CG1-CD2 3.82Å; V234-V253 HydrophobicContact CG1-CG2 4.18Å; V234-V253 HydrophobicContact CG2-CG2 4.48Å; V234-V267 HydrophobicContact CB-CG1 4.45Å; V234-V267 HydrophobicContact CG2-CG1 3.53Å; V234-E268 PolarHBondContact N-O 2.71Å; V234-Y269 HydrophobicContact CB-CD1 3.64Å; V234-Y269 HydrophobicContact CB-CE1 3.74Å; V234-Y269 HydrophobicContact CB-CG 4.42Å; V234-Y269 HydrophobicContact CG1-CD1 3.76Å; V234-Y269 HydrophobicContact CG1-CE1 3.72Å; V234-Y269 HydrophobicContact CG2-CD1 4.43Å; V234-Y269 HydrophobicContact CG2-CE1 4.08Å; V234-Y269 WeakPolarHBondContact O-CA 3.34Å; V234-H270 PolarHBondContact O-N 3.32Å; V234-H270 PolarHBondContact O-ND1 3.12Å; V234-V340 CarbonylContact C-O 3.58Å; V234-V340 VanDerWaalsContact CA-O 3.3Å; V234-V340 WeakPolarHBondContact CA-O 3.47Å; V234-V340 HydrophobicContact CG2-CB 4.38Å; V234-I342 HydrophobicContact CG1-CD1 4.34Å
235	R	98.7	Very high	97.4	Very high	90 Å²	90	28.6 Å²	28.6	34%	0.34	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.2	-179.8	-170.2	166.7	171.3	-88.9	-7.1	110.3	H270 V340 E341 I342	R235-H270 CarbonylContact C-O 3.38Å; R235-H270 WeakPolarHBondContact CA-O 3.11Å; R235-H270 WeakPolarHBondContact CB-NE2 3.41Å; R235-V340 PolarHBondContact N-O 2.81Å; R235-E341 HydrophobicContact CB-CG 4.19Å; R235-E341 WeakPolarHBondContact CD-OE1 3.39Å; R235-E341 IonicContact CZ-OE1 3.27Å; R235-E341 IonicContact NE-OE1 3.75Å; R235-E341 IonicContact NH1-OE1 2.93Å; R235-E341 PolarHBondContact NH1-OE1 2.98Å; R235-E341 WeakPolarHBondContact O-CA 3.49Å; R235-I342 PolarHBondContact O-N 2.67Å
236	L	98.8	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.8	178.1	-56	-176.2	0	0	0	110.4	V234 V249 Y269 H270 G271 P272 G273 V274 I277 F299 I342 L344	V234-L236 HydrophobicContact CG1-CD2 3.82Å; L236-V249 HydrophobicContact CD2-CG1 3.95Å; L236-Y269 HydrophobicContact CD1-CD1 4.08Å; L236-Y269 HydrophobicContact CD2-CD1 4.43Å; L236-Y269 HydrophobicContact CG-CD1 4.33Å; L236-H270 PolarHBondContact N-O 2.7Å; L236-G271 CarbonylContact O-C 3.56Å; L236-P272 WeakPolarHBondContact O-CD 3.5Å; L236-G273 WeakPolarHBondContact O-CA 3.15Å; L236-G273 PolarHBondContact O-N 3.39Å; L236-V274 HydrophobicContact CB-CG2 4.5Å; L236-V274 HydrophobicContact CD1-CG2 4.19Å; L236-I277 HydrophobicContact CD1-CD1 3.65Å; L236-F299 HydrophobicContact CD1-CE1 3.97Å; L236-F299 HydrophobicContact CD1-CZ 4.34Å; L236-I342 HydrophobicContact CD2-CB 3.99Å; L236-I342 HydrophobicContact CD2-CG2 4.47Å; L236-L344 HydrophobicContact CB-CD1 4.27Å; L236-L344 HydrophobicContact CB-CG 4.45Å; L236-L344 HydrophobicContact CD2-CD2 4.22Å
237	T	98.7	Very high	97.7	Very high	31 Å²	31	28 Å²	28	19%	0.19	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.9	175	60.8	0	0	0	0	111.3	P272 I342 L344	T237-P272 HydrophobicContact CG2-CG 4.29Å; T237-I342 PolarHBondContact N-O 3.34Å; T237-L344 WeakPolarHBondContact O-CB 3.39Å; T237-L344 WeakPolarHBondContact O-CG 3.41Å; T237-L344 PolarHBondContact O-N 2.86Å
238	G	98.1	Very high	97.9	Very high	31 Å²	31	24.8 Å²	24.8	32%	0.32	15%	0.147	S	C	.	.	S	Bend	trans	70.5	-160.5	-176.9	0	0	0	0	0	112.5	G273 S345	G238-G273 WeakPolarHBondContact O-CA 3.43Å; G238-S345 WeakPolarHBondContact CA-OG 3.26Å
239	T	97.9	Very high	97.9	Very high	80 Å²	80	24.8 Å²	24.8	49%	0.491	15%	0.147	S	C	.	.			trans	-139.8	142.7	-178	59	0	0	0	0	111.1	L344 S345	T239-L344 CarbonylContact O-C 3.24Å; T239-S345 PolarHBondContact N-OG 2.86Å; T239-S345 WeakPolarHBondContact O-CA 3.36Å; T239-S345 PolarHBondContact O-N 3.16Å; T239-S345 PolarHBondContact O-OG 3.24Å
240	L	95.8	Very high	98	Very high	36 Å²	36	24.5 Å²	24.5	19%	0.188	15%	0.145	C	C	.	.			trans	-60.1	143.5	172	-67.9	171.3	0	0	0	110.7	T244 P246 V249 I277 L344 L347	L240-T244 HydrophobicContact CD2-CG2 3.62Å; L240-P246 HydrophobicContact CD1-CG 4.06Å; L240-V249 HydrophobicContact CD2-CG2 4.27Å; L240-I277 HydrophobicContact CD1-CG1 4.14Å; L240-L344 HydrophobicContact CD2-CB 4.28Å; L240-L344 HydrophobicContact CD2-CD2 4.09Å; L240-L344 HydrophobicContact CG-CB 4.4Å; L240-L344 HydrophobicContact CG-CD1 4.45Å; L240-L344 HydrophobicContact CG-CD2 4.44Å; L240-L347 HydrophobicContact CD2-CD2 4.33Å
241	S	94.1	Very high	98	Very high	61 Å²	61	19.6 Å²	19.6	43%	0.427	12%	0.124	S	C	.	.			trans	-149.8	150.8	-179.2	65.2	0	0	0	0	113.1	W243 T244	S241-W243 PolarHBondContact O-N 3.33Å; S241-T244 PolarHBondContact O-N 2.94Å; S241-T244 VanDerWaalsContact O-N 3.16Å
242	G	95.5	Very high	98	Very high	39 Å²	39	23.4 Å²	23.4	40%	0.402	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-118.6	174.9	0	0	0	0	0	113.3	R397	G242-R397 PolarHBondContact O-NH2 3.32Å
243	W	97.7	Very high	98	Very high	10 Å²	10	23.1 Å²	23.1	4%	0.038	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.9	-178.9	-71.1	89.3	0	0	0	113.6	S241 P349 L401 I498 A501 P512 E513 L527 P530	S241-W243 PolarHBondContact O-N 3.33Å; W243-P349 HydrophobicContact CB-CG 3.47Å; W243-P349 VanDerWaalsContact CB-CG 3.47Å; W243-L401 HydrophobicContact CH2-CD1 3.82Å; W243-L401 HydrophobicContact CH2-CD2 3.55Å; W243-L401 HydrophobicContact CH2-CG 4.35Å; W243-L401 HydrophobicContact CZ2-CD2 4.31Å; W243-L401 HydrophobicContact CZ3-CD1 3.53Å; W243-L401 HydrophobicContact CZ3-CD2 4.07Å; W243-L401 HydrophobicContact CZ3-CG 4.46Å; W243-I498 HydrophobicContact CE3-CD1 3.77Å; W243-I498 HydrophobicContact CZ3-CD1 4.35Å; W243-A501 HydrophobicContact CH2-CB 4.44Å; W243-A501 HydrophobicContact CZ3-CB 4.13Å; W243-P512 HydrophobicContact CD2-CB 4.11Å; W243-P512 HydrophobicContact CD2-CG 4.32Å; W243-P512 HydrophobicContact CE3-CB 3.89Å; W243-P512 HydrophobicContact CE3-CG 3.95Å; W243-P512 HydrophobicContact CH2-CB 3.41Å; W243-P512 VanDerWaalsContact CH2-CB 3.41Å; W243-P512 HydrophobicContact CH2-CG 4.31Å; W243-P512 HydrophobicContact CZ2-CB 3.63Å; W243-P512 HydrophobicContact CZ3-CB 3.53Å; W243-P512 HydrophobicContact CZ3-CG 3.93Å; W243-E513 HydrophobicContact CB-CG 4.27Å; W243-E513 HydrophobicContact CG-CG 3.99Å; W243-L527 HydrophobicContact CH2-CB 3.76Å; W243-L527 HydrophobicContact CH2-CD1 4.17Å; W243-L527 HydrophobicContact CZ2-CB 3.76Å; W243-P530 HydrophobicContact CE3-CG 4.44Å
244	T	97.8	Very high	97.9	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.037	14%	0.139	C	C	.	.			trans	-72.2	135.3	-179.2	-47.7	0	0	0	0	109.9	L240 S241 D248 L347 K348	L240-T244 HydrophobicContact CD2-CG2 3.62Å; S241-T244 PolarHBondContact O-N 2.94Å; S241-T244 VanDerWaalsContact O-N 3.16Å; T244-D248 HydrophobicContact CG2-CB 3.93Å; T244-L347 WeakPolarHBondContact CB-O 3.04Å; T244-L347 HydrophobicContact CG2-CB 3.98Å; T244-L347 HydrophobicContact CG2-CD2 3.79Å; T244-L347 HydrophobicContact CG2-CG 3.64Å; T244-L347 WeakPolarHBondContact CG2-O 3.39Å; T244-L347 PolarHBondContact OG1-O 2.97Å; T244-K348 WeakPolarHBondContact OG1-CA 3.48Å
245	S	98.1	Very high	97.9	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.028	16%	0.155	C	C	.	.			trans	-125.1	167.1	-172.7	71.9	0	0	0	0	111	K247 D248 S495 E497	S245-K247 PolarHBondContact O-N 3.38Å; S245-K247 WeakPolarHBondContact OG-CB 3.37Å; S245-K247 PolarHBondContact OG-N 3.12Å; S245-D248 PolarHBondContact N-OD2 2.91Å; S245-D248 WeakPolarHBondContact O-CB 3.33Å; S245-D248 PolarHBondContact O-N 3.13Å; S245-D248 VanDerWaalsContact O-N 3.08Å; S245-D248 PolarHBondContact OG-OD2 2.94Å; S245-S495 WeakPolarHBondContact OG-CB 3.09Å; S245-E497 WeakPolarHBondContact CB-OE1 3.44Å
246	P	98.4	Very high	97.8	Very high	15 Å²	15	24.1 Å²	24.1	10%	0.097	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-32.5	172	-25.6	35.1	0	0	0	112.9	L240 D248 V249 I277 G281 I285	L240-P246 HydrophobicContact CD1-CG 4.06Å; P246-D248 PolarHBondContact O-N 3.32Å; P246-V249 WeakPolarHBondContact O-CB 3.43Å; P246-V249 PolarHBondContact O-N 3.02Å; P246-I277 HydrophobicContact CB-CG2 4.1Å; P246-I277 HydrophobicContact CG-CG2 4.08Å; P246-G281 VanDerWaalsContact CB-CA 3.48Å; P246-G281 WeakPolarHBondContact CB-O 3.09Å; P246-I285 HydrophobicContact CB-CD1 4.14Å; P246-I285 HydrophobicContact CB-CG1 4.27Å; P246-I285 WeakPolarHBondContact O-CG1 3.41Å
247	K	98.6	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-35.1	178.2	-176.1	56.3	166.1	-64.8	0	112.4	S245 V249 I250 L251 T284 M288 T388 N389 S474 F475 T494	S245-K247 PolarHBondContact O-N 3.38Å; S245-K247 WeakPolarHBondContact OG-CB 3.37Å; S245-K247 PolarHBondContact OG-N 3.12Å; K247-V249 PolarHBondContact O-N 3.42Å; K247-I250 HydrophobicContact CD-CG2 4.08Å; K247-I250 VanDerWaalsContact O-CG2 3.23Å; K247-I250 WeakPolarHBondContact O-CG2 3.44Å; K247-I250 PolarHBondContact O-N 2.91Å; K247-L251 HydrophobicContact CD-CD1 4.49Å; K247-L251 HydrophobicContact CD-CG 4.35Å; K247-L251 HydrophobicContact CG-CD1 3.91Å; K247-L251 HydrophobicContact CG-CG 4.24Å; K247-L251 VanDerWaalsContact O-CG 3.27Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 3.15Å; K247-T284 HydrophobicContact CB-CG2 4.03Å; K247-T284 HydrophobicContact CD-CG2 3.87Å; K247-M288 HydrophobicContact CD-SD 4.15Å; K247-M288 WeakPolarHBondContact CE-SD 3.19Å; K247-T388 HydrophobicContact CD-CG2 4.39Å; K247-N389 WeakPolarHBondContact CD-OD1 3.38Å; K247-N389 PolarHBondContact NZ-OD1 3.34Å; K247-S474 PolarHBondContact NZ-O 3.14Å; K247-F475 WeakPolarHBondContact CE-O 3.36Å; K247-F475 PolarHBondContact NZ-O 2.99Å; K247-T494 PolarHBondContact NZ-O 3.42Å
248	D	98.6	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-28.4	-178.9	-59.4	-59.7	0	0	0	112.4	T244 S245 P246 K252 L347 P349 H350	T244-D248 HydrophobicContact CG2-CB 3.93Å; S245-D248 PolarHBondContact N-OD2 2.91Å; S245-D248 WeakPolarHBondContact O-CB 3.33Å; S245-D248 PolarHBondContact O-N 3.13Å; S245-D248 VanDerWaalsContact O-N 3.08Å; S245-D248 PolarHBondContact OG-OD2 2.94Å; P246-D248 PolarHBondContact O-N 3.32Å; D248-K252 VanDerWaalsContact O-CB 3.29Å; D248-K252 WeakPolarHBondContact O-CB 3.44Å; D248-K252 PolarHBondContact O-N 3.13Å; D248-L347 HydrophobicContact CB-CD2 3.94Å; D248-L347 HydrophobicContact CB-CG 4.24Å; D248-P349 WeakPolarHBondContact OD1-CA 3.49Å; D248-H350 PolarHBondContact OD1-N 2.89Å
249	V	98.7	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-52.5	176.8	-178.3	0	0	0	0	109.5	L236 L240 P246 K247 K252 V253 I285 I342 L344 L347	L236-V249 HydrophobicContact CD2-CG1 3.95Å; L240-V249 HydrophobicContact CD2-CG2 4.27Å; P246-V249 WeakPolarHBondContact O-CB 3.43Å; P246-V249 PolarHBondContact O-N 3.02Å; K247-V249 PolarHBondContact O-N 3.42Å; V249-K252 PolarHBondContact O-N 2.92Å; V249-V253 WeakPolarHBondContact O-CG2 3.38Å; V249-V253 PolarHBondContact O-N 3Å; V249-I285 HydrophobicContact CB-CD1 3.85Å; V249-I285 HydrophobicContact CB-CG1 4.16Å; V249-I285 HydrophobicContact CG1-CD1 4.11Å; V249-I285 HydrophobicContact CG2-CD1 4.12Å; V249-I342 HydrophobicContact CG1-CD1 4.21Å; V249-L344 HydrophobicContact CG2-CD2 3.55Å; V249-L347 HydrophobicContact CB-CD2 4.38Å; V249-L347 HydrophobicContact CG2-CD2 3.71Å
250	I	98.5	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72.8	-31.3	-178.7	-173.1	55	0	0	0	112.6	K247 K252 V253 A254 I285 M288	K247-I250 HydrophobicContact CD-CG2 4.08Å; K247-I250 VanDerWaalsContact O-CG2 3.23Å; K247-I250 WeakPolarHBondContact O-CG2 3.44Å; K247-I250 PolarHBondContact O-N 2.91Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.82Å; I250-V253 HydrophobicContact CD1-CB 4.13Å; I250-V253 HydrophobicContact CD1-CG1 4.24Å; I250-V253 PolarHBondContact O-N 2.95Å; I250-A254 VanDerWaalsContact O-CB 3.27Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 2.97Å; I250-I285 HydrophobicContact CB-CB 4.46Å; I250-I285 HydrophobicContact CB-CG1 4.49Å; I250-I285 HydrophobicContact CB-CG2 4.27Å; I250-I285 WeakPolarHBondContact CG1-O 3.38Å; I250-M288 HydrophobicContact CB-CB 4.41Å; I250-M288 HydrophobicContact CG1-CB 3.6Å; I250-M288 HydrophobicContact CG1-CG 3.93Å; I250-M288 HydrophobicContact CG2-CB 3.92Å; I250-M288 HydrophobicContact CG2-CG 4.36Å; I250-M288 HydrophobicContact CG2-SD 4.18Å
251	L	98.7	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-39.6	171.1	-68.8	173.2	0	0	0	111.7	K247 G255 M288 H350 N352 V493	K247-L251 HydrophobicContact CD-CD1 4.49Å; K247-L251 HydrophobicContact CD-CG 4.35Å; K247-L251 HydrophobicContact CG-CD1 3.91Å; K247-L251 HydrophobicContact CG-CG 4.24Å; K247-L251 VanDerWaalsContact O-CG 3.27Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 3.15Å; L251-G255 PolarHBondContact O-N 3.44Å; L251-G255 VanDerWaalsContact O-N 3.12Å; L251-M288 HydrophobicContact CD2-CE 3.48Å; L251-M288 VanDerWaalsContact CD2-CE 3.48Å; L251-M288 HydrophobicContact CD2-SD 3.84Å; L251-H350 HydrophobicContact CB-CB 3.93Å; L251-H350 HydrophobicContact CD1-CB 4.06Å; L251-H350 WeakPolarHBondContact CD1-O 3.24Å; L251-N352 HydrophobicContact CD2-CB 3.96Å; L251-N352 PolarHBondContact O-ND2 3.49Å; L251-V493 HydrophobicContact CD2-CG2 4.01Å
252	K	98.5	Very high	96.6	Very high	83 Å²	83	22.2 Å²	22.2	36%	0.361	14%	0.137	S	C	.	.	H	α-helix	trans	-68.9	-46	175.1	-177	61.7	173.8	-174.5	0	111.9	D248 V249 I250 A254 G255 I256 I342 L347	D248-K252 VanDerWaalsContact O-CB 3.29Å; D248-K252 WeakPolarHBondContact O-CB 3.44Å; D248-K252 PolarHBondContact O-N 3.13Å; V249-K252 PolarHBondContact O-N 2.92Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.82Å; K252-A254 VanDerWaalsContact C-N 3.3Å; K252-A254 PolarHBondContact O-N 3.31Å; K252-G255 PolarHBondContact O-N 2.77Å; K252-I256 HydrophobicContact CD-CD1 4.43Å; K252-I256 HydrophobicContact CG-CD1 4.06Å; K252-I256 WeakPolarHBondContact O-CG1 3.47Å; K252-I256 PolarHBondContact O-N 3.22Å; K252-I342 HydrophobicContact CB-CD1 4.48Å; K252-I342 HydrophobicContact CG-CD1 4.26Å; K252-L347 HydrophobicContact CB-CD1 3.99Å; K252-L347 HydrophobicContact CG-CD1 4.14Å
253	V	98.3	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-42.9	175.5	171.7	0	0	0	0	110.7	V234 V249 I250 G255 I256 L257 I292 I342	V234-V253 HydrophobicContact CG1-CG2 4.18Å; V234-V253 HydrophobicContact CG2-CG2 4.48Å; V249-V253 WeakPolarHBondContact O-CG2 3.38Å; V249-V253 PolarHBondContact O-N 3Å; I250-V253 HydrophobicContact CD1-CB 4.13Å; I250-V253 HydrophobicContact CD1-CG1 4.24Å; I250-V253 PolarHBondContact O-N 2.95Å; V253-G255 VanDerWaalsContact C-N 3.33Å; V253-G255 PolarHBondContact O-N 2.92Å; V253-I256 PolarHBondContact O-N 3.47Å; V253-I256 VanDerWaalsContact O-N 3.11Å; V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.3Å; V253-L257 PolarHBondContact O-N 2.79Å; V253-I292 HydrophobicContact CG1-CD1 4.31Å; V253-I342 HydrophobicContact CG2-CD1 3.34Å
254	A	98	Very high	96.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-40.8	176.2	0	0	0	0	0	112.1	I250 K252 I256 T258 I292 D358	I250-A254 VanDerWaalsContact O-CB 3.27Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 2.97Å; K252-A254 VanDerWaalsContact C-N 3.3Å; K252-A254 PolarHBondContact O-N 3.31Å; A254-I256 VanDerWaalsContact C-N 3.32Å; A254-I256 PolarHBondContact O-N 2.7Å; A254-T258 VanDerWaalsContact O-CA 3.24Å; A254-T258 WeakPolarHBondContact O-CA 3.48Å; A254-T258 PolarHBondContact O-N 3.13Å; A254-I292 HydrophobicContact CB-CG2 3.9Å; A254-D358 VanDerWaalsContact O-CB 3.29Å; A254-D358 WeakPolarHBondContact O-CB 3.35Å
255	G	97.4	Very high	96.3	Very high	31 Å²	31	24.1 Å²	24.1	32%	0.32	15%	0.148	S	C	.	.	H	α-helix	trans	-65.4	-31	173.2	0	0	0	0	0	114.3	L251 K252 V253 D358	L251-G255 PolarHBondContact O-N 3.44Å; L251-G255 VanDerWaalsContact O-N 3.12Å; K252-G255 PolarHBondContact O-N 2.77Å; V253-G255 VanDerWaalsContact C-N 3.33Å; V253-G255 PolarHBondContact O-N 2.92Å; G255-D358 WeakPolarHBondContact CA-O 3.41Å
256	I	97.8	Very high	96.3	Very high	79 Å²	79	24 Å²	24	41%	0.405	15%	0.148	S	C	.	.	H	α-helix	trans	-77.1	-47.4	177.9	-67.3	165.2	0	0	0	111.2	K252 V253 A254 V340	K252-I256 HydrophobicContact CD-CD1 4.43Å; K252-I256 HydrophobicContact CG-CD1 4.06Å; K252-I256 WeakPolarHBondContact O-CG1 3.47Å; K252-I256 PolarHBondContact O-N 3.22Å; V253-I256 PolarHBondContact O-N 3.47Å; V253-I256 VanDerWaalsContact O-N 3.11Å; A254-I256 VanDerWaalsContact C-N 3.32Å; A254-I256 PolarHBondContact O-N 2.7Å; I256-V340 HydrophobicContact CD1-CG1 3.95Å; I256-V340 HydrophobicContact CG2-CG1 4.21Å; I256-V340 HydrophobicContact CG2-CG2 4.42Å
257	L	97	Very high	96.3	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.058	14%	0.143	C	C	.	.	H	α-helix	trans	-90.4	-18.6	-172.2	-67.5	179.5	0	0	0	113.3	I232 V253 G261 I292 Q338 V340	I232-L257 HydrophobicContact CD1-CD1 4.35Å; I232-L257 HydrophobicContact CG2-CD1 4.39Å; V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.3Å; V253-L257 PolarHBondContact O-N 2.79Å; L257-G261 WeakPolarHBondContact O-CA 3.41Å; L257-G261 PolarHBondContact O-N 2.75Å; L257-I292 HydrophobicContact CB-CG2 4.41Å; L257-I292 HydrophobicContact CD1-CD1 3.79Å; L257-Q338 VanDerWaalsContact CD2-NE2 3.34Å; L257-V340 HydrophobicContact CD2-CG2 4.14Å
258	T	96	Very high	96.4	Very high	62 Å²	62	23.4 Å²	23.4	38%	0.38	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	173.6	-171.1	78.9	0	0	0	0	113.4	A254 K260 G261 I292 D358	A254-T258 VanDerWaalsContact O-CA 3.24Å; A254-T258 WeakPolarHBondContact O-CA 3.48Å; A254-T258 PolarHBondContact O-N 3.13Å; T258-K260 PolarHBondContact O-N 3.09Å; T258-K260 PolarHBondContact OG1-N 3.35Å; T258-G261 PolarHBondContact O-N 2.84Å; T258-I292 WeakPolarHBondContact O-CB 3.22Å; T258-I292 WeakPolarHBondContact O-CG2 3.33Å; T258-D358 WeakPolarHBondContact CA-OD2 3.36Å; T258-D358 WeakPolarHBondContact CB-OD2 3.1Å
259	V	90.8	Very high	96.4	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.2	176.8	-67.6	0	0	0	0	114.8	E291 I292 P357 D358	V259-E291 WeakPolarHBondContact CA-O 3.41Å; V259-E291 WeakPolarHBondContact CG1-O 3.33Å; V259-I292 CarbonylContact O-C 3.59Å; V259-P357 HydrophobicContact CG1-CG 3.91Å; V259-D358 HydrophobicContact CG1-CB 4.2Å; V259-D358 PolarHBondContact N-OD2 2.92Å
260	K	88.8	Confident	96.4	Very high	81 Å²	81	25 Å²	25	35%	0.352	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-24.9	-178.3	-64.2	-179.8	179.7	175.4	0	113.8	T258 G262 T263 E666 N667	T258-K260 PolarHBondContact O-N 3.09Å; T258-K260 PolarHBondContact OG1-N 3.35Å; K260-G262 VanDerWaalsContact C-N 3.28Å; K260-G262 PolarHBondContact O-N 3.26Å; K260-T263 WeakPolarHBondContact O-CB 3.37Å; K260-T263 PolarHBondContact O-N 3.04Å; K260-T263 VanDerWaalsContact O-N 3.13Å; K260-T263 PolarHBondContact O-OG1 3.23Å; K260-E666 IonicContact NZ-OE1 3.69Å; K260-E666 PolarHBondContact NZ-OE1 2.98Å; K260-E666 IonicContact NZ-OE2 3.65Å; K260-E666 PolarHBondContact NZ-OE2 3.01Å; K260-N667 HydrophobicContact CG-CB 4.34Å
261	G	90.9	Very high	96.4	Very high	30 Å²	30	26.3 Å²	26.3	31%	0.309	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.7	-163.7	0	0	0	0	0	115.6	I232 L257 T258	I232-G261 WeakPolarHBondContact CD1-O 3.4Å; L257-G261 WeakPolarHBondContact O-CA 3.41Å; L257-G261 PolarHBondContact O-N 2.75Å; T258-G261 PolarHBondContact O-N 2.84Å
262	G	93.8	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.4	176	0	0	0	0	0	114.6	K260 G264 A265 I292 A294	K260-G262 VanDerWaalsContact C-N 3.28Å; K260-G262 PolarHBondContact O-N 3.26Å; G262-G264 PolarHBondContact O-N 3.07Å; G262-A265 PolarHBondContact O-N 3.12Å; G262-I292 WeakPolarHBondContact CA-O 3.11Å; G262-I292 PolarHBondContact N-O 3.41Å; G262-A294 WeakPolarHBondContact O-CA 3.16Å
263	T	93.3	Very high	96.3	Very high	62 Å²	62	26.6 Å²	26.6	38%	0.38	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-58.4	121.6	-170.2	-54.2	0	0	0	0	112.2	K260 A265 G293	K260-T263 WeakPolarHBondContact O-CB 3.37Å; K260-T263 PolarHBondContact O-N 3.04Å; K260-T263 VanDerWaalsContact O-N 3.13Å; K260-T263 PolarHBondContact O-OG1 3.23Å; T263-A265 VanDerWaalsContact C-N 3.28Å; T263-A265 PolarHBondContact O-N 3.19Å; T263-G293 WeakPolarHBondContact CA-O 3.48Å
264	G	93.8	Very high	96.3	Very high	29 Å²	29	26.9 Å²	26.9	30%	0.299	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	10.8	179.1	0	0	0	0	0	114.8	P229 K230 G262	P229-G264 WeakPolarHBondContact CA-O 3.4Å; K230-G264 PolarHBondContact N-O 3.02Å; G262-G264 PolarHBondContact O-N 3.07Å
265	A	98.1	Very high	96.3	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.033	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160	175	0	0	0	0	0	112.4	K230 I232 G262 T263 T295	K230-A265 HydrophobicContact CB-CB 4Å; K230-A265 CarbonylContact O-C 3.51Å; K230-A265 WeakPolarHBondContact O-CA 3.19Å; I232-A265 HydrophobicContact CD1-CB 3.79Å; I232-A265 HydrophobicContact CG1-CB 3.81Å; G262-A265 PolarHBondContact O-N 3.12Å; T263-A265 VanDerWaalsContact C-N 3.28Å; T263-A265 PolarHBondContact O-N 3.19Å; A265-T295 WeakPolarHBondContact O-CB 3.47Å; A265-T295 PolarHBondContact O-N 2.72Å; A265-T295 PolarHBondContact O-OG1 3.2Å
266	I	98.8	Very high	96.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.6	162.1	-67.4	173.6	0	0	0	107.8	V72 I206 P229 K230 V231 I232 T296 V298	V72-I266 HydrophobicContact CG2-CD1 4.09Å; I206-I266 HydrophobicContact CD1-CD1 4.35Å; P229-I266 HydrophobicContact CB-CD1 3.96Å; P229-I266 HydrophobicContact CB-CG1 3.77Å; P229-I266 HydrophobicContact CG-CD1 3.77Å; P229-I266 HydrophobicContact CG-CG1 4Å; K230-I266 PolarHBondContact O-N 3.45Å; V231-I266 WeakPolarHBondContact CA-O 3.42Å; I232-I266 PolarHBondContact N-O 2.84Å; I266-T296 WeakPolarHBondContact CA-O 3.33Å; I266-T296 HydrophobicContact CD1-CG2 3.91Å; I266-T296 HydrophobicContact CG1-CG2 3.8Å; I266-T296 HydrophobicContact CG2-CG2 4.03Å; I266-V298 HydrophobicContact CG2-CG1 4.23Å
267	V	98.9	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.4	172.9	-176.2	0	0	0	0	109.3	I232 V234 Y269 I292 A294 T296 S297 V298	I232-V267 HydrophobicContact CB-CG2 4.4Å; I232-V267 CarbonylContact O-C 3.52Å; I232-V267 WeakPolarHBondContact O-CA 3.45Å; V234-V267 HydrophobicContact CB-CG1 4.45Å; V234-V267 HydrophobicContact CG2-CG1 3.53Å; V267-Y269 HydrophobicContact CB-CE2 4.43Å; V267-Y269 HydrophobicContact CG1-CD2 4.39Å; V267-Y269 HydrophobicContact CG1-CE1 4.43Å; V267-Y269 HydrophobicContact CG1-CE2 3.75Å; V267-I292 HydrophobicContact CG2-CD1 3.8Å; V267-A294 HydrophobicContact CG2-CB 3.97Å; V267-T296 PolarHBondContact N-O 3.21Å; V267-S297 CarbonylContact O-C 3.56Å; V267-S297 WeakPolarHBondContact O-CA 3.38Å; V267-V298 PolarHBondContact O-N 3.19Å
268	E	98.9	Very high	96.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.3	-177.4	-170.9	170.1	121.9	0	0	110.1	T66 L67 S68 V231 I232 G233 V234 V298 Y336	T66-E268 WeakPolarHBondContact CB-OE1 3.32Å; T66-E268 WeakPolarHBondContact CB-OE2 3.44Å; T66-E268 PolarHBondContact OG1-OE2 2.77Å; L67-E268 HydrophobicContact CB-CG 4.37Å; L67-E268 PolarHBondContact N-OE1 2.84Å; L67-E268 PolarHBondContact N-OE2 2.85Å; L67-E268 VanDerWaalsContact N-OE2 3.13Å; S68-E268 VanDerWaalsContact CB-OE2 3.32Å; S68-E268 WeakPolarHBondContact CB-OE2 3.2Å; S68-E268 PolarHBondContact N-OE2 3.02Å; S68-E268 PolarHBondContact OG-OE2 2.79Å; V231-E268 HydrophobicContact CG1-CB 3.84Å; I232-E268 PolarHBondContact O-N 2.95Å; G233-E268 CarbonylContact C-O 3.29Å; G233-E268 WeakPolarHBondContact CA-O 3.49Å; V234-E268 PolarHBondContact N-O 2.71Å; E268-V298 HydrophobicContact CB-CG1 4.44Å; E268-V298 HydrophobicContact CG-CG1 4.16Å; E268-Y336 HydrophobicContact CB-CE1 4.01Å; E268-Y336 HydrophobicContact CG-CE1 4.15Å; E268-Y336 WeakPolarHBondContact OE1-CE1 3.47Å; E268-Y336 PolarHBondContact OE1-OH 2.81Å
269	Y	98.9	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.1	-179	-65.2	-90.2	0	0	0	110.4	V234 L236 V267 I285 V298 F299 P300	V234-Y269 HydrophobicContact CB-CD1 3.64Å; V234-Y269 HydrophobicContact CB-CE1 3.74Å; V234-Y269 HydrophobicContact CB-CG 4.42Å; V234-Y269 HydrophobicContact CG1-CD1 3.76Å; V234-Y269 HydrophobicContact CG1-CE1 3.72Å; V234-Y269 HydrophobicContact CG2-CD1 4.43Å; V234-Y269 HydrophobicContact CG2-CE1 4.08Å; V234-Y269 WeakPolarHBondContact O-CA 3.34Å; L236-Y269 HydrophobicContact CD1-CD1 4.08Å; L236-Y269 HydrophobicContact CD2-CD1 4.43Å; L236-Y269 HydrophobicContact CG-CD1 4.33Å; V267-Y269 HydrophobicContact CB-CE2 4.43Å; V267-Y269 HydrophobicContact CG1-CD2 4.39Å; V267-Y269 HydrophobicContact CG1-CE1 4.43Å; V267-Y269 HydrophobicContact CG1-CE2 3.75Å; Y269-I285 HydrophobicContact CD1-CG2 4.23Å; Y269-I285 HydrophobicContact CD2-CG2 4.3Å; Y269-I285 HydrophobicContact CE1-CG2 3.48Å; Y269-I285 VanDerWaalsContact CE1-CG2 3.48Å; Y269-I285 HydrophobicContact CE2-CG2 3.58Å; Y269-I285 WeakPolarHBondContact OH-CG2 3.5Å; Y269-V298 PolarHBondContact N-O 3.4Å; Y269-F299 HydrophobicContact CD1-CE1 4.22Å; Y269-F299 HydrophobicContact CD1-CE2 4.27Å; Y269-F299 AromaticContact CD1-CZ 3.73Å; Y269-F299 HydrophobicContact CD1-CZ 3.73Å; Y269-F299 AromaticContact CD2-CD2 3.8Å; Y269-F299 HydrophobicContact CD2-CD2 3.8Å; Y269-F299 HydrophobicContact CD2-CE1 4.31Å; Y269-F299 AromaticContact CD2-CE2 3.36Å; Y269-F299 HydrophobicContact CD2-CE2 3.36Å; Y269-F299 HydrophobicContact CD2-CG 4.42Å; Y269-F299 AromaticContact CD2-CZ 3.66Å; Y269-F299 HydrophobicContact CD2-CZ 3.66Å; Y269-F299 HydrophobicContact CE1-CZ 4.37Å; Y269-F299 AromaticContact CE2-CE2 3.91Å; Y269-F299 HydrophobicContact CE2-CE2 3.91Å; Y269-F299 HydrophobicContact CE2-CZ 4.32Å; Y269-F299 HydrophobicContact CG-CD1 4.24Å; Y269-F299 HydrophobicContact CG-CD2 4.16Å; Y269-F299 AromaticContact CG-CE1 3.7Å; Y269-F299 HydrophobicContact CG-CE1 3.7Å; Y269-F299 AromaticContact CG-CE2 3.59Å; Y269-F299 HydrophobicContact CG-CE2 3.59Å; Y269-F299 HydrophobicContact CG-CG 4.46Å; Y269-F299 AromaticContact CG-CZ 3.33Å; Y269-F299 HydrophobicContact CG-CZ 3.33Å; Y269-P300 WeakPolarHBondContact O-CD 3.34Å
270	H	98.7	Very high	96.9	Very high	33 Å²	33	23.2 Å²	23.2	15%	0.153	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	176.6	-178.2	67.8	-76.5	0	0	0	111.4	V234 R235 L236 Y336	V234-H270 PolarHBondContact O-N 3.32Å; V234-H270 PolarHBondContact O-ND1 3.12Å; R235-H270 CarbonylContact C-O 3.38Å; R235-H270 WeakPolarHBondContact CA-O 3.11Å; R235-H270 WeakPolarHBondContact CB-NE2 3.41Å; L236-H270 PolarHBondContact N-O 2.7Å; H270-Y336 AromaticContact CE1-CD2 3.91Å; H270-Y336 AromaticContact CE1-CE2 3.45Å; H270-Y336 VanDerWaalsContact CE1-CE2 3.45Å; H270-Y336 WeakPolarHBondContact CE1-CE2 3.42Å; H270-Y336 AromaticContact ND1-CE2 3.64Å; H270-Y336 AromaticContact ND1-CZ 3.85Å; H270-Y336 AromaticContact NE2-CE2 3.73Å
271	G	98.2	Very high	97.3	Very high	29 Å²	29	19.4 Å²	19.4	30%	0.299	14%	0.135	S	C	.	.	S	Bend	trans	94.8	170.1	180	0	0	0	0	0	114	L236 G273 V274	L236-G271 CarbonylContact O-C 3.56Å; G271-G273 PolarHBondContact O-N 3.06Å; G271-V274 WeakPolarHBondContact O-CB 3.46Å; G271-V274 WeakPolarHBondContact O-CG2 3.49Å; G271-V274 PolarHBondContact O-N 2.93Å
272	P	97.8	Very high	97.7	Very high	89 Å²	89	18 Å²	18	58%	0.578	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-65.6	-24.3	-169.2	26	-35.2	0	0	0	113.9	L236 T237 V274	L236-P272 WeakPolarHBondContact O-CD 3.5Å; T237-P272 HydrophobicContact CG2-CG 4.29Å; P272-V274 PolarHBondContact O-N 3.39Å
273	G	98.2	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17	179.1	0	0	0	0	0	113.9	L236 G238 G271 D275 S276 L344	L236-G273 WeakPolarHBondContact O-CA 3.15Å; L236-G273 PolarHBondContact O-N 3.39Å; G238-G273 WeakPolarHBondContact O-CA 3.43Å; G271-G273 PolarHBondContact O-N 3.06Å; G273-D275 VanDerWaalsContact C-N 3.32Å; G273-D275 PolarHBondContact O-N 3.09Å; G273-S276 WeakPolarHBondContact O-CB 3.26Å; G273-S276 PolarHBondContact O-N 3.24Å; G273-S276 VanDerWaalsContact O-N 3.1Å; G273-S276 PolarHBondContact O-OG 3.07Å; G273-L344 WeakPolarHBondContact O-CD1 3.37Å
274	V	98.4	Very high	98.2	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.036	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-57.3	-44.2	179.5	166.4	0	0	0	0	111.9	L236 G271 P272 S276 I277 M282 F299 P300	L236-V274 HydrophobicContact CB-CG2 4.5Å; L236-V274 HydrophobicContact CD1-CG2 4.19Å; G271-V274 WeakPolarHBondContact O-CB 3.46Å; G271-V274 WeakPolarHBondContact O-CG2 3.49Å; G271-V274 PolarHBondContact O-N 2.93Å; P272-V274 PolarHBondContact O-N 3.39Å; V274-S276 PolarHBondContact O-N 3.5Å; V274-S276 VanDerWaalsContact O-N 3.15Å; V274-I277 PolarHBondContact O-N 3.36Å; V274-I277 VanDerWaalsContact O-N 3.15Å; V274-M282 HydrophobicContact CG1-CE 4.46Å; V274-F299 HydrophobicContact CB-CD1 4.48Å; V274-F299 HydrophobicContact CG1-CD1 3.76Å; V274-F299 HydrophobicContact CG1-CE1 4.33Å; V274-F299 HydrophobicContact CG2-CD1 4.12Å; V274-F299 HydrophobicContact CG2-CE1 4.15Å; V274-P300 HydrophobicContact CG1-CG 4.23Å
275	D	97.5	Very high	98.5	Very high	74 Å²	74	13.9 Å²	13.9	40%	0.396	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-68.4	-12.9	-178.5	-79.8	-45.4	0	0	0	113.8	G273 I277 N302 H303 R304	G273-D275 VanDerWaalsContact C-N 3.32Å; G273-D275 PolarHBondContact O-N 3.09Å; D275-I277 VanDerWaalsContact C-N 3.33Å; D275-N302 WeakPolarHBondContact OD1-CB 3.38Å; D275-N302 PolarHBondContact OD1-ND2 3.36Å; D275-H303 IonicContact OD1-CE1 2.77Å; D275-H303 IonicContact OD1-ND1 2.81Å; D275-H303 PolarHBondContact OD1-ND1 2.7Å; D275-R304 PolarHBondContact O-NE 3.41Å
276	S	97	Very high	98.5	Very high	32 Å²	32	13.7 Å²	13.7	22%	0.224	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-78.5	-16.4	175.3	80	0	0	0	0	113.6	G273 V274 L344	G273-S276 WeakPolarHBondContact O-CB 3.26Å; G273-S276 PolarHBondContact O-N 3.24Å; G273-S276 VanDerWaalsContact O-N 3.1Å; G273-S276 PolarHBondContact O-OG 3.07Å; V274-S276 PolarHBondContact O-N 3.5Å; V274-S276 VanDerWaalsContact O-N 3.15Å; S276-L344 WeakPolarHBondContact OG-CD1 3.44Å
277	I	98.5	Very high	98.5	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	9%	0.088	C	C	.	.	S	Bend	trans	-97.3	136.5	-174.2	-53	-179.1	0	0	0	109.2	L236 L240 P246 V274 D275 M282 I285 F299 R304 L344	L236-I277 HydrophobicContact CD1-CD1 3.65Å; L240-I277 HydrophobicContact CD1-CG1 4.14Å; P246-I277 HydrophobicContact CB-CG2 4.1Å; P246-I277 HydrophobicContact CG-CG2 4.08Å; V274-I277 PolarHBondContact O-N 3.36Å; V274-I277 VanDerWaalsContact O-N 3.15Å; D275-I277 VanDerWaalsContact C-N 3.33Å; I277-M282 HydrophobicContact CB-CE 4.44Å; I277-M282 HydrophobicContact CB-CG 4.16Å; I277-M282 HydrophobicContact CG2-CG 3.85Å; I277-M282 WeakPolarHBondContact O-CE 3.46Å; I277-I285 HydrophobicContact CD1-CD1 3.73Å; I277-I285 HydrophobicContact CG2-CD1 4.26Å; I277-F299 HydrophobicContact CD1-CE1 4.43Å; I277-R304 WeakPolarHBondContact O-CG 3.42Å; I277-L344 HydrophobicContact CD1-CD1 4.32Å; I277-L344 HydrophobicContact CG1-CD1 4.42Å
278	S	98.5	Very high	98.4	Very high	4 Å²	4	13.6 Å²	13.6	3%	0.028	9%	0.088	C	C	.	.			trans	-65.9	161.3	173.6	62.8	0	0	0	0	112	T280 G281 M282 E393 E534	S278-T280 VanDerWaalsContact C-N 3.32Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 2.7Å; S278-G281 PolarHBondContact O-N 3.04Å; S278-G281 PolarHBondContact OG-N 2.95Å; S278-M282 WeakPolarHBondContact O-CG 3.47Å; S278-M282 PolarHBondContact O-N 2.62Å; S278-E393 WeakPolarHBondContact CB-OE2 3.01Å; S278-E393 PolarHBondContact OG-OE2 3.46Å; S278-E534 VanDerWaalsContact CB-CD 3.45Å; S278-E534 VanDerWaalsContact CB-CG 3.49Å; S278-E534 WeakPolarHBondContact CB-OE1 3.49Å
279	C	98.8	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.5	176.6	0	0	0	0	112.5	G202 L203 M282 A283 Y308	G202-C279 PolarHBondContact O-SG 3.1Å; G202-C279 VanDerWaalsContact O-SG 3.33Å; L203-C279 WeakPolarHBondContact CD1-SG 3.4Å; C279-M282 WeakPolarHBondContact O-CB 3.47Å; C279-M282 PolarHBondContact O-N 3.3Å; C279-A283 PolarHBondContact O-N 2.56Å; C279-Y308 HydrophobicContact CB-CD2 4.15Å; C279-Y308 HydrophobicContact CB-CG 3.91Å
280	T	98.5	Very high	98.1	Very high	9 Å²	9	14.3 Å²	14.3	6%	0.055	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-36.3	176.1	39.5	0	0	0	0	112	L180 S278 A283 T284 Y308 E393	L180-T280 HydrophobicContact CD2-CG2 4.14Å; S278-T280 VanDerWaalsContact C-N 3.32Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 2.7Å; T280-A283 WeakPolarHBondContact O-CB 3.27Å; T280-A283 PolarHBondContact O-N 3.02Å; T280-A283 VanDerWaalsContact O-N 3.17Å; T280-T284 PolarHBondContact O-N 3.31Å; T280-T284 PolarHBondContact O-OG1 3.43Å; T280-Y308 HydrophobicContact CG2-CD2 4.3Å; T280-Y308 HydrophobicContact CG2-CE2 3.65Å; T280-E393 PolarHBondContact OG1-OE2 3.32Å
281	G	98.6	Very high	97.9	Very high	2 Å²	2	13 Å²	13	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-38.7	171.9	0	0	0	0	0	113.5	P246 S278 A283 T284 I285	P246-G281 VanDerWaalsContact CB-CA 3.48Å; P246-G281 WeakPolarHBondContact CB-O 3.09Å; S278-G281 PolarHBondContact O-N 3.04Å; S278-G281 PolarHBondContact OG-N 2.95Å; G281-A283 VanDerWaalsContact C-N 3.29Å; G281-A283 PolarHBondContact O-N 3.32Å; G281-T284 WeakPolarHBondContact O-CB 3.16Å; G281-T284 PolarHBondContact O-N 3.08Å; G281-I285 WeakPolarHBondContact O-CG1 3.46Å; G281-I285 PolarHBondContact O-N 3.39Å; G281-I285 VanDerWaalsContact O-N 3.1Å
282	M	98.9	Very high	97.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-38.8	171.2	-68.4	-179.4	-143.4	0	0	111.1	V274 I277 S278 C279 I285 C286 F299 N302 R304 M305	V274-M282 HydrophobicContact CG1-CE 4.46Å; I277-M282 HydrophobicContact CB-CE 4.44Å; I277-M282 HydrophobicContact CB-CG 4.16Å; I277-M282 HydrophobicContact CG2-CG 3.85Å; I277-M282 WeakPolarHBondContact O-CE 3.46Å; S278-M282 WeakPolarHBondContact O-CG 3.47Å; S278-M282 PolarHBondContact O-N 2.62Å; C279-M282 WeakPolarHBondContact O-CB 3.47Å; C279-M282 PolarHBondContact O-N 3.3Å; M282-I285 PolarHBondContact O-N 2.89Å; M282-C286 PolarHBondContact O-N 3.27Å; M282-C286 PolarHBondContact O-SG 3.36Å; M282-F299 HydrophobicContact CB-CB 4.47Å; M282-F299 HydrophobicContact CB-CD1 4.36Å; M282-F299 HydrophobicContact CB-CD2 3.59Å; M282-F299 HydrophobicContact CB-CE2 3.79Å; M282-F299 HydrophobicContact CB-CG 3.9Å; M282-F299 HydrophobicContact CB-CZ 4.24Å; M282-F299 HydrophobicContact CG-CB 4.34Å; M282-F299 HydrophobicContact CG-CD1 3.68Å; M282-F299 HydrophobicContact CG-CD2 3.86Å; M282-F299 HydrophobicContact CG-CE1 3.81Å; M282-F299 HydrophobicContact CG-CE2 4Å; M282-F299 HydrophobicContact CG-CG 3.7Å; M282-F299 HydrophobicContact CG-CZ 3.98Å; M282-F299 HydrophobicContact SD-CB 3.6Å; M282-F299 VanDerWaalsContact SD-CB 3.6Å; M282-F299 HydrophobicContact SD-CD1 3.61Å; M282-F299 HydrophobicContact SD-CD2 4.25Å; M282-F299 HydrophobicContact SD-CE1 4.31Å; M282-F299 HydrophobicContact SD-CG 3.57Å; M282-F299 VanDerWaalsContact SD-CG 3.57Å; M282-N302 WeakPolarHBondContact CE-ND2 3.49Å; M282-R304 HydrophobicContact CE-CB 3.98Å; M282-R304 HydrophobicContact CE-CG 4.24Å; M282-M305 HydrophobicContact SD-CE 3.62Å
283	A	98.8	Very high	97.5	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.017	6%	0.059	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.6	0	0	0	0	0	111.9	L180 N199 C279 T280 G281 I285 C286 N287	L180-A283 HydrophobicContact CD1-CB 4.13Å; L180-A283 HydrophobicContact CD2-CB 3.58Å; N199-A283 WeakPolarHBondContact O-CA 3.29Å; N199-A283 WeakPolarHBondContact O-CB 3.33Å; N199-A283 PolarHBondContact OD1-O 3.24Å; C279-A283 PolarHBondContact O-N 2.56Å; T280-A283 WeakPolarHBondContact O-CB 3.27Å; T280-A283 PolarHBondContact O-N 3.02Å; T280-A283 VanDerWaalsContact O-N 3.17Å; G281-A283 VanDerWaalsContact C-N 3.29Å; G281-A283 PolarHBondContact O-N 3.32Å; A283-I285 VanDerWaalsContact C-N 3.31Å; A283-I285 PolarHBondContact O-N 2.82Å; A283-C286 PolarHBondContact O-N 3.27Å; A283-N287 WeakPolarHBondContact O-CB 3.05Å; A283-N287 PolarHBondContact O-N 3.19Å
284	T	98.8	Very high	97.4	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-53.7	-46.8	171.3	-63.2	0	0	0	0	111.8	K247 T280 G281 M288 T388 N389	K247-T284 HydrophobicContact CB-CG2 4.03Å; K247-T284 HydrophobicContact CD-CG2 3.87Å; T280-T284 PolarHBondContact O-N 3.31Å; T280-T284 PolarHBondContact O-OG1 3.43Å; G281-T284 WeakPolarHBondContact O-CB 3.16Å; G281-T284 PolarHBondContact O-N 3.08Å; T284-M288 PolarHBondContact O-N 2.85Å; T284-T388 WeakPolarHBondContact CB-O 3.47Å; T284-T388 HydrophobicContact CG2-CG2 4.07Å; T284-T388 PolarHBondContact OG1-O 3.07Å; T284-N389 WeakPolarHBondContact CG2-ND2 3.38Å; T284-N389 PolarHBondContact OG1-ND2 3.43Å
285	I	98.8	Very high	97.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.9	-47	-179.5	-69.6	168.3	0	0	0	110.7	P246 V249 I250 Y269 I277 G281 M282 A283 G289 F299	P246-I285 HydrophobicContact CB-CD1 4.14Å; P246-I285 HydrophobicContact CB-CG1 4.27Å; P246-I285 WeakPolarHBondContact O-CG1 3.41Å; V249-I285 HydrophobicContact CB-CD1 3.85Å; V249-I285 HydrophobicContact CB-CG1 4.16Å; V249-I285 HydrophobicContact CG1-CD1 4.11Å; V249-I285 HydrophobicContact CG2-CD1 4.12Å; I250-I285 HydrophobicContact CB-CB 4.46Å; I250-I285 HydrophobicContact CB-CG1 4.49Å; I250-I285 HydrophobicContact CB-CG2 4.27Å; I250-I285 WeakPolarHBondContact CG1-O 3.38Å; Y269-I285 HydrophobicContact CD1-CG2 4.23Å; Y269-I285 HydrophobicContact CD2-CG2 4.3Å; Y269-I285 HydrophobicContact CE1-CG2 3.48Å; Y269-I285 VanDerWaalsContact CE1-CG2 3.48Å; Y269-I285 HydrophobicContact CE2-CG2 3.58Å; Y269-I285 WeakPolarHBondContact OH-CG2 3.5Å; I277-I285 HydrophobicContact CD1-CD1 3.73Å; I277-I285 HydrophobicContact CG2-CD1 4.26Å; G281-I285 WeakPolarHBondContact O-CG1 3.46Å; G281-I285 PolarHBondContact O-N 3.39Å; G281-I285 VanDerWaalsContact O-N 3.1Å; M282-I285 PolarHBondContact O-N 2.89Å; A283-I285 VanDerWaalsContact C-N 3.31Å; A283-I285 PolarHBondContact O-N 2.82Å; I285-G289 PolarHBondContact O-N 3.44Å; I285-F299 HydrophobicContact CB-CE2 3.98Å; I285-F299 HydrophobicContact CB-CZ 4.21Å; I285-F299 HydrophobicContact CD1-CE2 4.47Å; I285-F299 HydrophobicContact CD1-CZ 3.89Å; I285-F299 HydrophobicContact CG2-CE2 3.79Å; I285-F299 HydrophobicContact CG2-CZ 3.92Å
286	C	98.8	Very high	97.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.7	-37.4	179.5	-67.8	0	0	0	0	112.9	P198 M282 A283 M288 G289 S297 F299	P198-C286 WeakPolarHBondContact CB-O 3.47Å; P198-C286 WeakPolarHBondContact O-CB 3.49Å; M282-C286 PolarHBondContact O-N 3.27Å; M282-C286 PolarHBondContact O-SG 3.36Å; A283-C286 PolarHBondContact O-N 3.27Å; C286-M288 PolarHBondContact O-N 3.28Å; C286-G289 PolarHBondContact O-N 3.48Å; C286-G289 VanDerWaalsContact O-N 3.16Å; C286-S297 VanDerWaalsContact SG-C 3.51Å; C286-S297 PolarHBondContact SG-O 2.85Å; C286-S297 VanDerWaalsContact SG-O 3.39Å; C286-F299 WeakPolarHBondContact SG-CD2 3.21Å
287	N	98.4	Very high	97.5	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-53.8	-54	177.7	-177.5	-64.5	0	0	0	110.8	H196 N199 A283 G289 A290 T388 N476	H196-N287 PolarHBondContact CD2-O 3.47Å; H196-N287 PolarHBondContact CD2-OD1 3.36Å; H196-N287 VanDerWaalsContact CD2-OD1 3.3Å; N199-N287 HydrophobicContact CB-CB 4.06Å; N199-N287 WeakPolarHBondContact OD1-CB 3.43Å; N199-N287 PolarHBondContact OD1-ND2 3.47Å; N199-N287 VanDerWaalsContact OD1-ND2 3.15Å; A283-N287 WeakPolarHBondContact O-CB 3.05Å; A283-N287 PolarHBondContact O-N 3.19Å; N287-G289 PolarHBondContact O-N 2.98Å; N287-A290 WeakPolarHBondContact O-CB 3.46Å; N287-A290 PolarHBondContact O-N 2.75Å; N287-T388 HydrophobicContact CB-CG2 4.43Å; N287-T388 PolarHBondContact OD1-OG1 2.82Å; N287-N476 PolarHBondContact OD1-ND2 3.24Å
288	M	97.9	Very high	97.5	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-80.7	-0.5	-176.3	-170.3	173.3	179.5	0	0	113.3	K247 I250 L251 T284 C286 A290 E291 P357 N476 V493	K247-M288 HydrophobicContact CD-SD 4.15Å; K247-M288 WeakPolarHBondContact CE-SD 3.19Å; I250-M288 HydrophobicContact CB-CB 4.41Å; I250-M288 HydrophobicContact CG1-CB 3.6Å; I250-M288 HydrophobicContact CG1-CG 3.93Å; I250-M288 HydrophobicContact CG2-CB 3.92Å; I250-M288 HydrophobicContact CG2-CG 4.36Å; I250-M288 HydrophobicContact CG2-SD 4.18Å; L251-M288 HydrophobicContact CD2-CE 3.48Å; L251-M288 VanDerWaalsContact CD2-CE 3.48Å; L251-M288 HydrophobicContact CD2-SD 3.84Å; T284-M288 PolarHBondContact O-N 2.85Å; C286-M288 PolarHBondContact O-N 3.28Å; M288-A290 PolarHBondContact O-N 3.17Å; M288-E291 WeakPolarHBondContact CA-OE2 3.34Å; M288-E291 HydrophobicContact CG-CB 4.32Å; M288-E291 HydrophobicContact CG-CG 4.15Å; M288-E291 WeakPolarHBondContact O-CB 3.24Å; M288-E291 PolarHBondContact O-N 2.89Å; M288-P357 HydrophobicContact CE-CB 3.93Å; M288-N476 HydrophobicContact CB-CB 4.26Å; M288-N476 WeakPolarHBondContact CE-O 3.01Å; M288-N476 HydrophobicContact CG-CB 3.98Å; M288-N476 HydrophobicContact SD-CB 4.27Å; M288-V493 HydrophobicContact CE-CG2 3.97Å
289	G	96.2	Very high	97.5	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.1	163.8	0	0	0	0	0	113.1	I285 C286 N287 E291 I292 A294	I285-G289 PolarHBondContact O-N 3.44Å; C286-G289 PolarHBondContact O-N 3.48Å; C286-G289 VanDerWaalsContact O-N 3.16Å; N287-G289 PolarHBondContact O-N 2.98Å; G289-E291 PolarHBondContact O-N 3.5Å; G289-I292 WeakPolarHBondContact O-CG1 3.15Å; G289-I292 PolarHBondContact O-N 3.03Å; G289-A294 VanDerWaalsContact O-CB 3.31Å; G289-A294 WeakPolarHBondContact O-CB 3.33Å; G289-A294 PolarHBondContact O-N 3.14Å
290	A	94.6	Very high	97.5	Very high	16 Å²	16	4.8 Å²	4.8	13%	0.132	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-62.9	-30.4	173.2	0	0	0	0	0	112.6	S195 N287 M288 I292 G293	S195-A290 WeakPolarHBondContact O-CB 3.32Å; N287-A290 WeakPolarHBondContact O-CB 3.46Å; N287-A290 PolarHBondContact O-N 2.75Å; M288-A290 PolarHBondContact O-N 3.17Å; A290-I292 VanDerWaalsContact C-N 3.3Å; A290-I292 PolarHBondContact O-N 2.91Å; A290-G293 PolarHBondContact O-N 3.5Å; A290-G293 VanDerWaalsContact O-N 3.15Å
291	E	94.9	Very high	97.5	Very high	7 Å²	7	4.6 Å²	4.6	3%	0.033	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-73.5	-20.4	-174.9	-80.2	52.7	-135.2	0	0	113.3	H196 V259 M288 G289 G293 P357 R477	H196-E291 IonicContact CD2-OE1 3.29Å; H196-E291 IonicContact CD2-OE2 3.02Å; H196-E291 IonicContact CE1-OE1 3.81Å; H196-E291 IonicContact NE2-OE1 3.19Å; H196-E291 PolarHBondContact NE2-OE1 3.12Å; H196-E291 IonicContact NE2-OE2 3.12Å; H196-E291 PolarHBondContact NE2-OE2 3.41Å; V259-E291 WeakPolarHBondContact CA-O 3.41Å; V259-E291 WeakPolarHBondContact CG1-O 3.33Å; M288-E291 WeakPolarHBondContact CA-OE2 3.34Å; M288-E291 HydrophobicContact CG-CB 4.32Å; M288-E291 HydrophobicContact CG-CG 4.15Å; M288-E291 WeakPolarHBondContact O-CB 3.24Å; M288-E291 PolarHBondContact O-N 2.89Å; G289-E291 PolarHBondContact O-N 3.5Å; E291-G293 VanDerWaalsContact C-N 3.33Å; E291-P357 HydrophobicContact CB-CB 4.02Å; E291-P357 HydrophobicContact CB-CG 3.75Å; E291-P357 HydrophobicContact CG-CB 3.84Å; E291-P357 HydrophobicContact CG-CG 3.77Å; E291-R477 HydrophobicContact CG-CG 4.12Å; E291-R477 WeakPolarHBondContact OE1-CG 3.24Å; E291-R477 IonicContact OE1-CZ 2.8Å; E291-R477 IonicContact OE1-NE 3.69Å; E291-R477 PolarHBondContact OE1-NE 3.43Å; E291-R477 IonicContact OE1-NH2 2.73Å
292	I	95.1	Very high	97.5	Very high	1 Å²	1	5 Å²	5	1%	0.005	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-91.3	4	172.9	59	169	0	0	0	112.9	V253 A254 L257 T258 V259 G262 V267 G289 A290 A294	V253-I292 HydrophobicContact CG1-CD1 4.31Å; A254-I292 HydrophobicContact CB-CG2 3.9Å; L257-I292 HydrophobicContact CB-CG2 4.41Å; L257-I292 HydrophobicContact CD1-CD1 3.79Å; T258-I292 WeakPolarHBondContact O-CB 3.22Å; T258-I292 WeakPolarHBondContact O-CG2 3.33Å; V259-I292 CarbonylContact O-C 3.59Å; G262-I292 WeakPolarHBondContact CA-O 3.11Å; G262-I292 PolarHBondContact N-O 3.41Å; V267-I292 HydrophobicContact CG2-CD1 3.8Å; G289-I292 WeakPolarHBondContact O-CG1 3.15Å; G289-I292 PolarHBondContact O-N 3.03Å; A290-I292 VanDerWaalsContact C-N 3.3Å; A290-I292 PolarHBondContact O-N 2.91Å; I292-A294 HydrophobicContact CD1-CB 4.36Å; I292-A294 HydrophobicContact CG1-CB 4.18Å
293	G	92.4	Very high	97.5	Very high	26 Å²	26	9.4 Å²	9.4	27%	0.268	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	12.8	-179	0	0	0	0	0	114.7	T263 A290 E291	T263-G293 WeakPolarHBondContact CA-O 3.48Å; A290-G293 PolarHBondContact O-N 3.5Å; A290-G293 VanDerWaalsContact O-N 3.15Å; E291-G293 VanDerWaalsContact C-N 3.33Å
294	A	95.9	Very high	97.5	Very high	11 Å²	11	12.3 Å²	12.3	9%	0.091	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-60.6	145	178	0	0	0	0	0	111.7	G262 V267 G289 I292 T296	G262-A294 WeakPolarHBondContact O-CA 3.16Å; V267-A294 HydrophobicContact CG2-CB 3.97Å; G289-A294 VanDerWaalsContact O-CB 3.31Å; G289-A294 WeakPolarHBondContact O-CB 3.33Å; G289-A294 PolarHBondContact O-N 3.14Å; I292-A294 HydrophobicContact CD1-CB 4.36Å; I292-A294 HydrophobicContact CG1-CB 4.18Å; A294-T296 VanDerWaalsContact C-N 3.32Å
295	T	97.1	Very high	97.5	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-62.8	-44.7	173.4	-58.2	0	0	0	0	110.3	I208 L226 P229 A265	I208-T295 HydrophobicContact CD1-CG2 4.04Å; I208-T295 HydrophobicContact CG1-CG2 4.29Å; I208-T295 HydrophobicContact CG2-CG2 4.18Å; L226-T295 HydrophobicContact CD1-CG2 3.93Å; L226-T295 HydrophobicContact CD2-CG2 4.44Å; P229-T295 HydrophobicContact CG-CG2 4.42Å; A265-T295 WeakPolarHBondContact O-CB 3.47Å; A265-T295 PolarHBondContact O-N 2.72Å; A265-T295 PolarHBondContact O-OG1 3.2Å
296	T	98.6	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	-177.1	165.7	-171.5	0	0	0	0	109.4	P198 I206 C207 I208 I266 V267 A294	P198-T296 WeakPolarHBondContact CB-OG1 3.27Å; I206-T296 HydrophobicContact CD1-CG2 4.07Å; I206-T296 HydrophobicContact CG2-CG2 4.15Å; C207-T296 VanDerWaalsContact O-CB 3.26Å; C207-T296 WeakPolarHBondContact O-CB 3.47Å; C207-T296 PolarHBondContact O-OG1 2.98Å; I208-T296 HydrophobicContact CD1-CG2 4.37Å; I208-T296 HydrophobicContact CG1-CG2 3.82Å; I266-T296 WeakPolarHBondContact CA-O 3.33Å; I266-T296 HydrophobicContact CD1-CG2 3.91Å; I266-T296 HydrophobicContact CG1-CG2 3.8Å; I266-T296 HydrophobicContact CG2-CG2 4.03Å; V267-T296 PolarHBondContact N-O 3.21Å; A294-T296 VanDerWaalsContact C-N 3.32Å
297	S	98.8	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.8	176.1	-67.4	0	0	0	0	109.5	G201 V267 C286	G201-S297 WeakPolarHBondContact CA-O 3.21Å; V267-S297 CarbonylContact O-C 3.56Å; V267-S297 WeakPolarHBondContact O-CA 3.38Å; C286-S297 VanDerWaalsContact SG-C 3.51Å; C286-S297 PolarHBondContact SG-O 2.85Å; C286-S297 VanDerWaalsContact SG-O 3.39Å
298	V	98.9	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.7	-174.7	68	0	0	0	0	112.8	L67 G205 I206 I266 V267 E268 Y269	L67-V298 HydrophobicContact CD2-CG1 4.19Å; L67-V298 HydrophobicContact CD2-CG2 3.89Å; G205-V298 WeakPolarHBondContact O-CG2 3.4Å; I206-V298 HydrophobicContact CD1-CB 4.07Å; I206-V298 HydrophobicContact CD1-CG1 4.07Å; I206-V298 HydrophobicContact CD1-CG2 4.28Å; I266-V298 HydrophobicContact CG2-CG1 4.23Å; V267-V298 PolarHBondContact O-N 3.19Å; E268-V298 HydrophobicContact CB-CG1 4.44Å; E268-V298 HydrophobicContact CG-CG1 4.16Å; Y269-V298 PolarHBondContact N-O 3.4Å
299	F	98.9	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.			trans	-109.2	149.1	168.4	-80	-98.3	0	0	0	110.9	L67 G201 G204 L236 Y269 V274 I277 M282 I285 C286 M305	L67-F299 WeakPolarHBondContact CD2-O 3.45Å; G201-F299 PolarHBondContact O-N 3.04Å; G201-F299 VanDerWaalsContact O-N 3.12Å; G204-F299 WeakPolarHBondContact CA-O 3.29Å; L236-F299 HydrophobicContact CD1-CE1 3.97Å; L236-F299 HydrophobicContact CD1-CZ 4.34Å; Y269-F299 HydrophobicContact CD1-CE1 4.22Å; Y269-F299 HydrophobicContact CD1-CE2 4.27Å; Y269-F299 AromaticContact CD1-CZ 3.73Å; Y269-F299 HydrophobicContact CD1-CZ 3.73Å; Y269-F299 AromaticContact CD2-CD2 3.8Å; Y269-F299 HydrophobicContact CD2-CD2 3.8Å; Y269-F299 HydrophobicContact CD2-CE1 4.31Å; Y269-F299 AromaticContact CD2-CE2 3.36Å; Y269-F299 HydrophobicContact CD2-CE2 3.36Å; Y269-F299 HydrophobicContact CD2-CG 4.42Å; Y269-F299 AromaticContact CD2-CZ 3.66Å; Y269-F299 HydrophobicContact CD2-CZ 3.66Å; Y269-F299 HydrophobicContact CE1-CZ 4.37Å; Y269-F299 AromaticContact CE2-CE2 3.91Å; Y269-F299 HydrophobicContact CE2-CE2 3.91Å; Y269-F299 HydrophobicContact CE2-CZ 4.32Å; Y269-F299 HydrophobicContact CG-CD1 4.24Å; Y269-F299 HydrophobicContact CG-CD2 4.16Å; Y269-F299 AromaticContact CG-CE1 3.7Å; Y269-F299 HydrophobicContact CG-CE1 3.7Å; Y269-F299 AromaticContact CG-CE2 3.59Å; Y269-F299 HydrophobicContact CG-CE2 3.59Å; Y269-F299 HydrophobicContact CG-CG 4.46Å; Y269-F299 AromaticContact CG-CZ 3.33Å; Y269-F299 HydrophobicContact CG-CZ 3.33Å; V274-F299 HydrophobicContact CB-CD1 4.48Å; V274-F299 HydrophobicContact CG1-CD1 3.76Å; V274-F299 HydrophobicContact CG1-CE1 4.33Å; V274-F299 HydrophobicContact CG2-CD1 4.12Å; V274-F299 HydrophobicContact CG2-CE1 4.15Å; I277-F299 HydrophobicContact CD1-CE1 4.43Å; M282-F299 HydrophobicContact CB-CB 4.47Å; M282-F299 HydrophobicContact CB-CD1 4.36Å; M282-F299 HydrophobicContact CB-CD2 3.59Å; M282-F299 HydrophobicContact CB-CE2 3.79Å; M282-F299 HydrophobicContact CB-CG 3.9Å; M282-F299 HydrophobicContact CB-CZ 4.24Å; M282-F299 HydrophobicContact CG-CB 4.34Å; M282-F299 HydrophobicContact CG-CD1 3.68Å; M282-F299 HydrophobicContact CG-CD2 3.86Å; M282-F299 HydrophobicContact CG-CE1 3.81Å; M282-F299 HydrophobicContact CG-CE2 4Å; M282-F299 HydrophobicContact CG-CG 3.7Å; M282-F299 HydrophobicContact CG-CZ 3.98Å; M282-F299 HydrophobicContact SD-CB 3.6Å; M282-F299 VanDerWaalsContact SD-CB 3.6Å; M282-F299 HydrophobicContact SD-CD1 3.61Å; M282-F299 HydrophobicContact SD-CD2 4.25Å; M282-F299 HydrophobicContact SD-CE1 4.31Å; M282-F299 HydrophobicContact SD-CG 3.57Å; M282-F299 VanDerWaalsContact SD-CG 3.57Å; I285-F299 HydrophobicContact CB-CE2 3.98Å; I285-F299 HydrophobicContact CB-CZ 4.21Å; I285-F299 HydrophobicContact CD1-CE2 4.47Å; I285-F299 HydrophobicContact CD1-CZ 3.89Å; I285-F299 HydrophobicContact CG2-CE2 3.79Å; I285-F299 HydrophobicContact CG2-CZ 3.92Å; C286-F299 WeakPolarHBondContact SG-CD2 3.21Å; F299-M305 HydrophobicContact CB-CE 3.52Å
300	P	98.8	Very high	97.6	Very high	19 Å²	19	22.1 Å²	22.1	12%	0.123	12%	0.117	C	C	.	.			trans	-68.8	148.5	174.6	29	-35.8	0	0	0	112.4	L67 Y269 V274 N302 M305 V329	L67-P300 VanDerWaalsContact CD2-CA 3.45Å; L67-P300 HydrophobicContact CD2-CB 4.06Å; Y269-P300 WeakPolarHBondContact O-CD 3.34Å; V274-P300 HydrophobicContact CG1-CG 4.23Å; P300-N302 PolarHBondContact O-N 2.89Å; P300-M305 WeakPolarHBondContact O-CE 3.48Å; P300-V329 HydrophobicContact CB-CG1 4.32Å
301	Y	98.8	Very high	97.8	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.02	12%	0.122	C	C	.	.			trans	-59.8	126.3	176.7	178.4	-121.1	0	0	0	111.1	P186 M305 K306 L309 A318 A321 L328	P186-Y301 HydrophobicContact CB-CD2 3.92Å; P186-Y301 HydrophobicContact CB-CG 4.17Å; P186-Y301 HydrophobicContact CG-CD2 3.31Å; P186-Y301 HydrophobicContact CG-CE2 3.7Å; P186-Y301 HydrophobicContact CG-CG 4.05Å; Y301-M305 HydrophobicContact CD2-CB 3.96Å; Y301-M305 HydrophobicContact CD2-SD 4.14Å; Y301-M305 HydrophobicContact CE2-CB 4.07Å; Y301-K306 HydrophobicContact CE2-CB 4.4Å; Y301-L309 HydrophobicContact CE2-CD1 4.43Å; Y301-A318 PolarHBondContact OH-O 3.34Å; Y301-A321 HydrophobicContact CD1-CB 4.32Å; Y301-A321 HydrophobicContact CE1-CB 3.83Å; Y301-A321 HydrophobicContact CE2-CB 4.11Å; Y301-L328 HydrophobicContact CD1-CD1 4.38Å; Y301-L328 PolarHBondContact N-O 3.3Å
302	N	98.6	Very high	97.9	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	13%	0.127	C	C	.	.			trans	-144.9	-178.1	-179.6	75.2	1.8	0	0	0	113.1	D275 M282 P300 R304 M305 K306	D275-N302 WeakPolarHBondContact OD1-CB 3.38Å; D275-N302 PolarHBondContact OD1-ND2 3.36Å; M282-N302 WeakPolarHBondContact CE-ND2 3.49Å; P300-N302 PolarHBondContact O-N 2.89Å; N302-R304 PolarHBondContact O-N 2.9Å; N302-R304 WeakPolarHBondContact OD1-CB 3.3Å; N302-R304 PolarHBondContact OD1-N 2.88Å; N302-R304 VanDerWaalsContact OD1-N 3.13Å; N302-M305 PolarHBondContact O-N 3.43Å; N302-M305 PolarHBondContact OD1-N 2.59Å; N302-K306 PolarHBondContact O-N 3.32Å; N302-K306 VanDerWaalsContact O-N 3.11Å
303	H	98.6	Very high	98	Very high	94 Å²	94	28 Å²	28	44%	0.435	16%	0.161	S	C	.	.	H	α-helix	trans	-64.6	-26.6	-176	75.7	-76.6	0	0	0	113.5	D275 K306 T307	D275-H303 IonicContact OD1-CE1 2.77Å; D275-H303 IonicContact OD1-ND1 2.81Å; D275-H303 PolarHBondContact OD1-ND1 2.7Å; H303-K306 WeakPolarHBondContact O-CB 3.42Å; H303-K306 PolarHBondContact O-N 3.37Å; H303-T307 PolarHBondContact O-N 3.32Å; H303-T307 PolarHBondContact O-OG1 3.28Å
304	R	98.5	Very high	98.2	Very high	63 Å²	63	27.7 Å²	27.7	24%	0.238	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-45.8	176.6	-56.9	-64.6	-155.3	161.2	16.1	111	D275 I277 M282 N302 K306 T307 Y308 E534	D275-R304 PolarHBondContact O-NE 3.41Å; I277-R304 WeakPolarHBondContact O-CG 3.42Å; M282-R304 HydrophobicContact CE-CB 3.98Å; M282-R304 HydrophobicContact CE-CG 4.24Å; N302-R304 PolarHBondContact O-N 2.9Å; N302-R304 WeakPolarHBondContact OD1-CB 3.3Å; N302-R304 PolarHBondContact OD1-N 2.88Å; N302-R304 VanDerWaalsContact OD1-N 3.13Å; R304-K306 VanDerWaalsContact C-N 3.33Å; R304-K306 PolarHBondContact O-N 3.04Å; R304-T307 PolarHBondContact O-N 3.32Å; R304-Y308 PolarHBondContact O-N 3.45Å; R304-E534 IonicContact CZ-OE2 3.14Å; R304-E534 IonicContact NH1-OE2 2.7Å; R304-E534 PolarHBondContact NH1-OE2 2.87Å
305	M	98.8	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-40.5	173.4	-61.6	-176.1	-168	0	0	111.9	G202 L203 G204 M282 F299 P300 Y301 N302 Y308 L309	G202-M305 WeakPolarHBondContact O-CE 3.4Å; L203-M305 HydrophobicContact CD1-CB 3.86Å; L203-M305 HydrophobicContact CD1-CG 4.14Å; G204-M305 PolarHBondContact N-SD 3.2Å; M282-M305 HydrophobicContact SD-CE 3.62Å; F299-M305 HydrophobicContact CB-CE 3.52Å; P300-M305 WeakPolarHBondContact O-CE 3.48Å; Y301-M305 HydrophobicContact CD2-CB 3.96Å; Y301-M305 HydrophobicContact CD2-SD 4.14Å; Y301-M305 HydrophobicContact CE2-CB 4.07Å; N302-M305 PolarHBondContact O-N 3.43Å; N302-M305 PolarHBondContact OD1-N 2.59Å; M305-Y308 PolarHBondContact O-N 3.3Å; M305-L309 WeakPolarHBondContact O-CG 3.37Å; M305-L309 PolarHBondContact O-N 2.82Å
306	K	98.7	Very high	98.3	Very high	65 Å²	65	39.4 Å²	39.4	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-49.3	175.1	178.1	168.3	-179.7	174.3	0	112.1	Y301 N302 H303 R304 Y308 L309 Q310 A318 D322	Y301-K306 HydrophobicContact CE2-CB 4.4Å; N302-K306 PolarHBondContact O-N 3.32Å; N302-K306 VanDerWaalsContact O-N 3.11Å; H303-K306 WeakPolarHBondContact O-CB 3.42Å; H303-K306 PolarHBondContact O-N 3.37Å; R304-K306 VanDerWaalsContact C-N 3.33Å; R304-K306 PolarHBondContact O-N 3.04Å; K306-Y308 VanDerWaalsContact C-N 3.3Å; K306-Y308 PolarHBondContact O-N 2.8Å; K306-L309 PolarHBondContact O-N 3.25Å; K306-Q310 WeakPolarHBondContact O-CG 3.47Å; K306-Q310 PolarHBondContact O-N 2.91Å; K306-A318 HydrophobicContact CG-CB 4.19Å; K306-D322 VanDerWaalsContact CE-OD2 3.26Å; K306-D322 WeakPolarHBondContact CE-OD2 3.44Å; K306-D322 IonicContact NZ-OD2 3.32Å; K306-D322 PolarHBondContact NZ-OD2 3.42Å
307	T	98.4	Very high	98.2	Very high	61 Å²	61	39.7 Å²	39.7	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-59.5	-42.9	177.2	-57.6	0	0	0	0	111.2	H303 R304 Q310 K311 L535	H303-T307 PolarHBondContact O-N 3.32Å; H303-T307 PolarHBondContact O-OG1 3.28Å; R304-T307 PolarHBondContact O-N 3.32Å; T307-Q310 PolarHBondContact O-N 3.22Å; T307-K311 WeakPolarHBondContact O-CB 3.23Å; T307-K311 PolarHBondContact O-N 3.3Å; T307-L535 HydrophobicContact CG2-CD1 3.88Å
308	Y	98.7	Very high	98.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-48.9	177.1	-172	-95.2	0	0	0	112.5	L180 E181 L203 C279 T280 R304 M305 K306 Q310 K311 T312 L535	L180-Y308 HydrophobicContact CG-CE1 4.05Å; L180-Y308 WeakPolarHBondContact O-CE1 3.28Å; E181-Y308 WeakPolarHBondContact CG-OH 3.35Å; L203-Y308 HydrophobicContact CD1-CD1 3.9Å; L203-Y308 HydrophobicContact CD2-CD1 4.41Å; C279-Y308 HydrophobicContact CB-CD2 4.15Å; C279-Y308 HydrophobicContact CB-CG 3.91Å; T280-Y308 HydrophobicContact CG2-CD2 4.3Å; T280-Y308 HydrophobicContact CG2-CE2 3.65Å; R304-Y308 PolarHBondContact O-N 3.45Å; M305-Y308 PolarHBondContact O-N 3.3Å; K306-Y308 VanDerWaalsContact C-N 3.3Å; K306-Y308 PolarHBondContact O-N 2.8Å; Y308-Q310 VanDerWaalsContact C-N 3.29Å; Y308-Q310 PolarHBondContact O-N 2.77Å; Y308-K311 PolarHBondContact O-N 3.33Å; Y308-K311 VanDerWaalsContact O-N 3.15Å; Y308-T312 HydrophobicContact CD1-CG2 4.3Å; Y308-T312 HydrophobicContact CE1-CG2 3.89Å; Y308-T312 HydrophobicContact CE2-CG2 4.32Å; Y308-T312 PolarHBondContact O-N 3.36Å; Y308-L535 HydrophobicContact CD2-CD2 3.78Å; Y308-L535 HydrophobicContact CE2-CD2 4.07Å
309	L	98.6	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-44.9	176.1	-75.4	168.8	0	0	0	111.5	P186 L203 Y301 M305 K306 T312 G313 R314 I317 A318	P186-L309 HydrophobicContact CG-CD1 4.32Å; L203-L309 HydrophobicContact CD1-CD2 4.45Å; L203-L309 HydrophobicContact CD1-CG 4.21Å; L203-L309 HydrophobicContact CD2-CD2 3.97Å; L203-L309 HydrophobicContact CG-CD2 4.47Å; Y301-L309 HydrophobicContact CE2-CD1 4.43Å; M305-L309 WeakPolarHBondContact O-CG 3.37Å; M305-L309 PolarHBondContact O-N 2.82Å; K306-L309 PolarHBondContact O-N 3.25Å; L309-T312 PolarHBondContact O-N 3Å; L309-G313 PolarHBondContact O-N 3.35Å; L309-R314 HydrophobicContact CB-CB 4.35Å; L309-R314 HydrophobicContact CD2-CB 4.02Å; L309-R314 CarbonylContact O-C 3.55Å; L309-R314 WeakPolarHBondContact O-CA 3.33Å; L309-R314 WeakPolarHBondContact O-CB 3.45Å; L309-R314 PolarHBondContact O-N 3.35Å; L309-I317 HydrophobicContact CD1-CG2 4.25Å; L309-I317 HydrophobicContact CD2-CG2 4.18Å; L309-A318 HydrophobicContact CB-CB 3.99Å; L309-A318 HydrophobicContact CD1-CB 3.95Å
310	Q	97.9	Very high	98	Very high	79 Å²	79	43 Å²	43	37%	0.369	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-45.6	177.3	-70.8	173.5	-17.7	0	0	111.7	K306 T307 Y308 T312 G313 Q315 A318	K306-Q310 WeakPolarHBondContact O-CG 3.47Å; K306-Q310 PolarHBondContact O-N 2.91Å; T307-Q310 PolarHBondContact O-N 3.22Å; Y308-Q310 VanDerWaalsContact C-N 3.29Å; Y308-Q310 PolarHBondContact O-N 2.77Å; Q310-T312 VanDerWaalsContact C-N 3.26Å; Q310-T312 PolarHBondContact O-N 3.1Å; Q310-G313 PolarHBondContact O-N 2.82Å; Q310-Q315 HydrophobicContact CG-CB 4.33Å; Q310-Q315 HydrophobicContact CG-CG 4.3Å; Q310-A318 HydrophobicContact CG-CB 4.49Å
311	K	98	Very high	97.9	Very high	53 Å²	53	42.1 Å²	42.1	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-26.5	-179.2	-173.9	64.5	68.5	164.3	0	113	T307 Y308 L535 P536 F540	T307-K311 WeakPolarHBondContact O-CB 3.23Å; T307-K311 PolarHBondContact O-N 3.3Å; Y308-K311 PolarHBondContact O-N 3.33Å; Y308-K311 VanDerWaalsContact O-N 3.15Å; K311-L535 HydrophobicContact CB-CD1 3.9Å; K311-L535 HydrophobicContact CG-CB 4.18Å; K311-L535 HydrophobicContact CG-CD1 4.07Å; K311-L535 HydrophobicContact CG-CD2 4.24Å; K311-L535 HydrophobicContact CG-CG 4.39Å; K311-P536 HydrophobicContact CD-CG 4.46Å; K311-P536 WeakPolarHBondContact CE-O 3.43Å; K311-P536 PolarHBondContact NZ-O 3.05Å; K311-F540 HydrophobicContact CG-CD2 3.86Å; K311-F540 HydrophobicContact CG-CE2 3.6Å
312	T	97.4	Very high	97.9	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.141	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	18.4	173.1	77.3	0	0	0	0	113.8	E181 Y308 L309 Q310 R314 F540	E181-T312 PolarHBondContact O-OG1 2.94Å; Y308-T312 HydrophobicContact CD1-CG2 4.3Å; Y308-T312 HydrophobicContact CE1-CG2 3.89Å; Y308-T312 HydrophobicContact CE2-CG2 4.32Å; Y308-T312 PolarHBondContact O-N 3.36Å; L309-T312 PolarHBondContact O-N 3Å; Q310-T312 VanDerWaalsContact C-N 3.26Å; Q310-T312 PolarHBondContact O-N 3.1Å; T312-R314 PolarHBondContact OG1-NE 3.14Å; T312-R314 PolarHBondContact OG1-NH2 3.07Å; T312-F540 HydrophobicContact CG2-CD2 4.34Å; T312-F540 HydrophobicContact CG2-CE2 4.17Å
313	G	96.9	Very high	97.8	Very high	70 Å²	70	51.2 Å²	51.2	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	21.4	171.7	0	0	0	0	0	115.2	L309 Q310	L309-G313 PolarHBondContact O-N 3.35Å; Q310-G313 PolarHBondContact O-N 2.82Å
314	R	97.6	Very high	97.8	Very high	20 Å²	20	49.3 Å²	49.3	8%	0.075	26%	0.259	C	S	.	.			trans	-113.3	41.1	-176.8	-63.4	176.2	-66.7	177.3	-7.4	112.4	L180 E181 A184 L309 T312 E316 I317 A318	L180-R314 PolarHBondContact O-NH1 3.07Å; L180-R314 VanDerWaalsContact O-NH1 3.16Å; L180-R314 PolarHBondContact O-NH2 3.18Å; E181-R314 PolarHBondContact O-NE 2.73Å; E181-R314 PolarHBondContact O-NH2 3.14Å; A184-R314 PolarHBondContact O-NH1 3.24Å; L309-R314 HydrophobicContact CB-CB 4.35Å; L309-R314 HydrophobicContact CD2-CB 4.02Å; L309-R314 CarbonylContact O-C 3.55Å; L309-R314 WeakPolarHBondContact O-CA 3.33Å; L309-R314 WeakPolarHBondContact O-CB 3.45Å; L309-R314 PolarHBondContact O-N 3.35Å; T312-R314 PolarHBondContact OG1-NE 3.14Å; T312-R314 PolarHBondContact OG1-NH2 3.07Å; R314-E316 VanDerWaalsContact C-N 3.28Å; R314-E316 PolarHBondContact O-N 3.43Å; R314-I317 HydrophobicContact CB-CB 4.3Å; R314-I317 HydrophobicContact CB-CD1 4.11Å; R314-I317 HydrophobicContact CB-CG1 4.28Å; R314-I317 HydrophobicContact CG-CD1 4.24Å; R314-I317 WeakPolarHBondContact O-CB 3.42Å; R314-I317 PolarHBondContact O-N 3Å; R314-A318 PolarHBondContact O-N 2.88Å
315	Q	97.3	Very high	97.7	Very high	121 Å²	121	51.1 Å²	51.1	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-33.5	-178.2	-178.7	171.5	4.9	0	0	113.4	Q310 I317 A318 S319	Q310-Q315 HydrophobicContact CG-CB 4.33Å; Q310-Q315 HydrophobicContact CG-CG 4.3Å; Q315-I317 VanDerWaalsContact C-N 3.35Å; Q315-A318 PolarHBondContact O-N 3.39Å; Q315-S319 PolarHBondContact O-N 3.39Å; Q315-S319 PolarHBondContact O-OG 3.49Å
316	E	96.5	Very high	97.7	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-40.9	176.7	-64.8	-177.9	177.5	0	0	111.7	A34 R314 S319 A320	A34-E316 HydrophobicContact CB-CB 4.15Å; R314-E316 VanDerWaalsContact C-N 3.28Å; R314-E316 PolarHBondContact O-N 3.43Å; E316-S319 PolarHBondContact O-N 2.92Å; E316-A320 PolarHBondContact O-N 3.46Å
317	I	97.9	Very high	97.6	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.6	-59.3	-171.9	0	0	0	110.4	A34 I45 Y185 L309 R314 Q315 S319 A320 A321	A34-I317 HydrophobicContact CB-CG1 4.49Å; I45-I317 HydrophobicContact CD1-CB 4.16Å; I45-I317 HydrophobicContact CD1-CD1 4.05Å; I45-I317 HydrophobicContact CD1-CG1 3.75Å; I45-I317 HydrophobicContact CD1-CG2 3.78Å; Y185-I317 HydrophobicContact CG-CG2 4.32Å; L309-I317 HydrophobicContact CD1-CG2 4.25Å; L309-I317 HydrophobicContact CD2-CG2 4.18Å; R314-I317 HydrophobicContact CB-CB 4.3Å; R314-I317 HydrophobicContact CB-CD1 4.11Å; R314-I317 HydrophobicContact CB-CG1 4.28Å; R314-I317 HydrophobicContact CG-CD1 4.24Å; R314-I317 WeakPolarHBondContact O-CB 3.42Å; R314-I317 PolarHBondContact O-N 3Å; Q315-I317 VanDerWaalsContact C-N 3.35Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.04Å; I317-A320 PolarHBondContact O-N 3.48Å; I317-A321 WeakPolarHBondContact O-CB 3.45Å; I317-A321 PolarHBondContact O-N 3.28Å
318	A	97.4	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-39.1	177	0	0	0	0	0	112.4	Y301 K306 L309 Q310 R314 Q315 A321 D322	Y301-A318 PolarHBondContact OH-O 3.34Å; K306-A318 HydrophobicContact CG-CB 4.19Å; L309-A318 HydrophobicContact CB-CB 3.99Å; L309-A318 HydrophobicContact CD1-CB 3.95Å; Q310-A318 HydrophobicContact CG-CB 4.49Å; R314-A318 PolarHBondContact O-N 2.88Å; Q315-A318 PolarHBondContact O-N 3.39Å; A318-A321 PolarHBondContact O-N 2.88Å; A318-D322 PolarHBondContact O-N 3.19Å
319	S	97.4	Very high	97.6	Very high	52 Å²	52	53.2 Å²	53.2	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-43.1	178.2	-52.3	0	0	0	0	111.2	Q315 E316 I317 A321 D322 E323	Q315-S319 PolarHBondContact O-N 3.39Å; Q315-S319 PolarHBondContact O-OG 3.49Å; E316-S319 PolarHBondContact O-N 2.92Å; I317-S319 VanDerWaalsContact C-N 3.29Å; I317-S319 PolarHBondContact O-N 3.04Å; S319-A321 VanDerWaalsContact C-N 3.35Å; S319-A321 PolarHBondContact O-N 3.39Å; S319-D322 PolarHBondContact O-N 3.5Å; S319-E323 PolarHBondContact O-N 2.9Å
320	A	96.7	Very high	97.6	Very high	18 Å²	18	54.9 Å²	54.9	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-39.6	174	0	0	0	0	0	112.2	A34 Y47 E316 I317 D322 E323 F324	A34-A320 HydrophobicContact CB-CB 4.27Å; Y47-A320 HydrophobicContact CD2-CB 4.21Å; Y47-A320 HydrophobicContact CE2-CB 4Å; E316-A320 PolarHBondContact O-N 3.46Å; I317-A320 PolarHBondContact O-N 3.48Å; A320-D322 VanDerWaalsContact C-N 3.34Å; A320-D322 PolarHBondContact O-N 3.03Å; A320-E323 PolarHBondContact O-N 2.98Å; A320-F324 WeakPolarHBondContact O-CD2 3.45Å; A320-F324 PolarHBondContact O-N 3.3Å
321	A	97.8	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-34.2	176.7	0	0	0	0	0	112.5	Y47 P186 Y301 I317 A318 S319 E323 F324 R325 L328	Y47-A321 HydrophobicContact CE2-CB 4.42Å; P186-A321 HydrophobicContact CB-CB 4.34Å; P186-A321 HydrophobicContact CG-CB 4.19Å; Y301-A321 HydrophobicContact CD1-CB 4.32Å; Y301-A321 HydrophobicContact CE1-CB 3.83Å; Y301-A321 HydrophobicContact CE2-CB 4.11Å; I317-A321 WeakPolarHBondContact O-CB 3.45Å; I317-A321 PolarHBondContact O-N 3.28Å; A318-A321 PolarHBondContact O-N 2.88Å; S319-A321 VanDerWaalsContact C-N 3.35Å; S319-A321 PolarHBondContact O-N 3.39Å; A321-E323 VanDerWaalsContact C-N 3.32Å; A321-E323 PolarHBondContact O-N 3.48Å; A321-F324 CarbonylContact O-C 3.46Å; A321-F324 PolarHBondContact O-N 3.26Å; A321-R325 WeakPolarHBondContact O-CA 3.4Å; A321-R325 PolarHBondContact O-N 3.49Å; A321-L328 HydrophobicContact CB-CD1 3.83Å; A321-L328 WeakPolarHBondContact O-CD1 3.36Å
322	D	98.1	Very high	97.6	Very high	46 Å²	46	59.3 Å²	59.3	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-35.9	173.6	-82.7	-35.9	0	0	0	112.4	K306 A318 S319 A320 F324 R325	K306-D322 VanDerWaalsContact CE-OD2 3.26Å; K306-D322 WeakPolarHBondContact CE-OD2 3.44Å; K306-D322 IonicContact NZ-OD2 3.32Å; K306-D322 PolarHBondContact NZ-OD2 3.42Å; A318-D322 PolarHBondContact O-N 3.19Å; S319-D322 PolarHBondContact O-N 3.5Å; A320-D322 VanDerWaalsContact C-N 3.34Å; A320-D322 PolarHBondContact O-N 3.03Å; D322-F324 VanDerWaalsContact C-N 3.31Å; D322-F324 PolarHBondContact O-N 3.26Å; D322-R325 IonicContact OD1-CZ 2.65Å; D322-R325 IonicContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 2.88Å; D322-R325 PolarHBondContact OD1-NH2 3.33Å
323	E	97.1	Very high	97.5	Very high	159 Å²	159	61.1 Å²	61.1	74%	0.743	34%	0.336	S	S	*	.	H	α-helix	trans	-67.4	-30.4	176.3	-67.9	178.7	-162.7	0	0	112.9	S319 A320 A321	S319-E323 PolarHBondContact O-N 2.9Å; A320-E323 PolarHBondContact O-N 2.98Å; A321-E323 VanDerWaalsContact C-N 3.32Å; A321-E323 PolarHBondContact O-N 3.48Å
324	F	97.6	Very high	97.6	Very high	54 Å²	54	58.7 Å²	58.7	24%	0.237	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	21.1	-178.9	-73	-92.3	0	0	0	113.2	Y47 H51 A320 A321 D322 D326 D327 L328	Y47-F324 HydrophobicContact CD2-CB 4.34Å; Y47-F324 AromaticContact CD2-CD2 3.85Å; Y47-F324 HydrophobicContact CD2-CD2 3.85Å; Y47-F324 HydrophobicContact CD2-CE2 4.47Å; Y47-F324 HydrophobicContact CD2-CG 4.22Å; Y47-F324 HydrophobicContact CG-CB 4.24Å; Y47-F324 HydrophobicContact CG-CD2 4.06Å; Y47-F324 HydrophobicContact CG-CG 4.06Å; H51-F324 HydrophobicContact CB-CD1 4.24Å; H51-F324 HydrophobicContact CB-CE1 4.02Å; A320-F324 WeakPolarHBondContact O-CD2 3.45Å; A320-F324 PolarHBondContact O-N 3.3Å; A321-F324 CarbonylContact O-C 3.46Å; A321-F324 PolarHBondContact O-N 3.26Å; D322-F324 VanDerWaalsContact C-N 3.31Å; D322-F324 PolarHBondContact O-N 3.26Å; F324-D326 PolarHBondContact O-N 3.2Å; F324-D326 VanDerWaalsContact O-N 3.09Å; F324-D327 PolarHBondContact O-N 3.27Å; F324-L328 WeakPolarHBondContact O-CG 3.43Å
325	R	97.5	Very high	97.6	Very high	100 Å²	100	64.8 Å²	64.8	38%	0.377	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-52.2	-38.2	-173.1	178.5	178.7	-73.2	-124.3	-1.3	113.6	A321 D322 D327 L328 V329	A321-R325 WeakPolarHBondContact O-CA 3.4Å; A321-R325 PolarHBondContact O-N 3.49Å; D322-R325 IonicContact OD1-CZ 2.65Å; D322-R325 IonicContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 2.88Å; D322-R325 PolarHBondContact OD1-NH2 3.33Å; R325-D327 PolarHBondContact O-N 2.79Å; R325-L328 CarbonylContact O-C 3.55Å; R325-L328 WeakPolarHBondContact O-CA 3.46Å; R325-L328 PolarHBondContact O-N 3.04Å; R325-V329 HydrophobicContact CG-CG1 4.41Å; R325-V329 PolarHBondContact O-N 3.31Å
326	D	97.4	Very high	97.6	Very high	127 Å²	127	60.9 Å²	60.9	68%	0.679	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.2	-25.6	-177.8	-67	-14	0	0	0	113.2	K70 F324	K70-D326 PolarHBondContact NZ-O 3.35Å; F324-D326 PolarHBondContact O-N 3.2Å; F324-D326 VanDerWaalsContact O-N 3.09Å
327	D	98.1	Very high	97.7	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.032	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-87.1	-11.5	174.7	-64.2	-36.7	0	0	0	112.7	M50 H51 I54 F324 R325	M50-D327 HydrophobicContact CE-CB 3.93Å; H51-D327 WeakPolarHBondContact CB-OD2 3.04Å; H51-D327 IonicContact CE1-OD2 3.99Å; H51-D327 IonicContact CG-OD2 3.98Å; H51-D327 IonicContact ND1-OD1 3.92Å; H51-D327 IonicContact ND1-OD2 2.77Å; H51-D327 PolarHBondContact ND1-OD2 2.89Å; I54-D327 HydrophobicContact CD1-CB 3.85Å; F324-D327 PolarHBondContact O-N 3.27Å; R325-D327 PolarHBondContact O-N 2.79Å
328	L	98.6	Very high	97.7	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	-108.1	10	-173.3	-59	174.2	0	0	0	113.5	Y47 M50 L67 P186 Y301 A321 F324 R325	Y47-L328 HydrophobicContact CE1-CD1 4.37Å; Y47-L328 HydrophobicContact CE1-CD2 4.12Å; M50-L328 HydrophobicContact CE-CD2 3.94Å; L67-L328 WeakPolarHBondContact CD1-O 3.46Å; P186-L328 HydrophobicContact CB-CD1 3.83Å; P186-L328 HydrophobicContact CB-CD2 4.09Å; P186-L328 HydrophobicContact CB-CG 4.44Å; Y301-L328 HydrophobicContact CD1-CD1 4.38Å; Y301-L328 PolarHBondContact N-O 3.3Å; A321-L328 HydrophobicContact CB-CD1 3.83Å; A321-L328 WeakPolarHBondContact O-CD1 3.36Å; F324-L328 WeakPolarHBondContact O-CG 3.43Å; R325-L328 CarbonylContact O-C 3.55Å; R325-L328 WeakPolarHBondContact O-CA 3.46Å; R325-L328 PolarHBondContact O-N 3.04Å
329	V	98.6	Very high	97.8	Very high	40 Å²	40	65.5 Å²	65.5	24%	0.242	35%	0.347	C	S	.	.	S	Bend	trans	-129.8	155.5	172.1	-60.9	0	0	0	0	109.4	K70 P300 R325	K70-V329 WeakPolarHBondContact CD-O 3.5Å; K70-V329 WeakPolarHBondContact CE-O 3.39Å; K70-V329 PolarHBondContact NZ-O 2.85Å; P300-V329 HydrophobicContact CB-CG1 4.32Å; R325-V329 HydrophobicContact CG-CG1 4.41Å; R325-V329 PolarHBondContact O-N 3.31Å
330	P	98.6	Very high	97.8	Very high	34 Å²	34	63.6 Å²	63.6	22%	0.221	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.8	149.3	173.6	26.2	-34.1	0	0	0	111.5	L67	L67-P330 HydrophobicContact CB-CB 4.38Å
331	D	98.6	Very high	97.9	Very high	32 Å²	32	68.7 Å²	68.7	17%	0.171	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.9	146.8	169.3	-73.8	-30.9	0	0	0	110.2	R58 P64 L65 K70 G333 C334	R58-D331 IonicContact CZ-OD1 2.77Å; R58-D331 IonicContact CZ-OD2 3.54Å; R58-D331 IonicContact NE-OD2 3.44Å; R58-D331 VanDerWaalsContact NH2-CG 3.35Å; R58-D331 IonicContact NH2-OD1 2.64Å; R58-D331 PolarHBondContact NH2-OD1 3.44Å; R58-D331 IonicContact NH2-OD2 2.79Å; R58-D331 PolarHBondContact NH2-OD2 3.22Å; P64-D331 HydrophobicContact CB-CB 3.72Å; L65-D331 PolarHBondContact N-OD2 3.33Å; L65-D331 WeakPolarHBondContact O-CB 3.31Å; L65-D331 PolarHBondContact O-N 2.86Å; K70-D331 WeakPolarHBondContact CE-OD1 3.13Å; K70-D331 WeakPolarHBondContact CE-OD2 3.39Å; K70-D331 IonicContact NZ-OD1 2.99Å; K70-D331 PolarHBondContact NZ-OD1 3.38Å; K70-D331 IonicContact NZ-OD2 3.32Å; D331-G333 PolarHBondContact O-N 2.89Å; D331-C334 WeakPolarHBondContact O-CB 3.45Å; D331-C334 PolarHBondContact O-N 3.49Å; D331-C334 PolarHBondContact O-SG 2.6Å
332	E	97.1	Very high	97.9	Very high	193 Å²	193	69.1 Å²	69.1	90%	0.902	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.5	171.6	-170.7	176.8	-177.9	0	0	110.3	C334	E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3.36Å
333	G	95.4	Very high	97.9	Very high	61 Å²	61	69.5 Å²	69.5	63%	0.629	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	15.2	-178.5	0	0	0	0	0	115.1	D331	D331-G333 PolarHBondContact O-N 2.89Å
334	C	97.7	Very high	98	Very high	20 Å²	20	61.9 Å²	61.9	14%	0.135	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-61.2	143.4	172.1	71	0	0	0	0	112.4	P64 T66 D331 E332	P64-C334 HydrophobicContact CB-CB 4.28Å; T66-C334 HydrophobicContact CG2-CB 3.95Å; D331-C334 WeakPolarHBondContact O-CB 3.45Å; D331-C334 PolarHBondContact O-N 3.49Å; D331-C334 PolarHBondContact O-SG 2.6Å; E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3.36Å
335	E	97.5	Very high	98	Very high	147 Å²	147	62 Å²	62	69%	0.687	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-97.9	130.4	-176.7	-65	-177.7	173	0	0	112.2	T66 R86	T66-E335 WeakPolarHBondContact CG2-O 3.12Å; R86-E335 PolarHBondContact NH1-O 3.14Å; R86-E335 PolarHBondContact NH2-O 2.8Å
336	Y	98.5	Very high	98	Very high	39 Å²	39	64.2 Å²	64.2	15%	0.153	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-99.3	137	171.4	-60.7	-61.8	0	0	0	109.9	T66 V231 E268 H270 Q338 V339	T66-Y336 HydrophobicContact CG2-CD1 3.96Å; T66-Y336 HydrophobicContact CG2-CE1 3.76Å; V231-Y336 HydrophobicContact CB-CD1 4.16Å; V231-Y336 HydrophobicContact CG1-CD1 3.59Å; V231-Y336 HydrophobicContact CG1-CE1 3.84Å; E268-Y336 HydrophobicContact CB-CE1 4.01Å; E268-Y336 HydrophobicContact CG-CE1 4.15Å; E268-Y336 WeakPolarHBondContact OE1-CE1 3.47Å; E268-Y336 PolarHBondContact OE1-OH 2.81Å; H270-Y336 AromaticContact CE1-CD2 3.91Å; H270-Y336 AromaticContact CE1-CE2 3.45Å; H270-Y336 VanDerWaalsContact CE1-CE2 3.45Å; H270-Y336 WeakPolarHBondContact CE1-CE2 3.42Å; H270-Y336 AromaticContact ND1-CE2 3.64Å; H270-Y336 AromaticContact ND1-CZ 3.85Å; H270-Y336 AromaticContact NE2-CE2 3.73Å; Y336-Q338 PolarHBondContact O-N 3.13Å; Y336-V339 HydrophobicContact CD2-CG2 4.25Å
337	D	98.3	Very high	98.1	Very high	78 Å²	78	58.8 Å²	58.8	42%	0.417	32%	0.316	S	S	.	.	S	Bend	trans	-66.2	-25.5	177.5	-64.2	-92.8	0	0	0	112.1	R86 K230 V231	R86-D337 VanDerWaalsContact CD-OD2 3.32Å; R86-D337 WeakPolarHBondContact CD-OD2 3.29Å; R86-D337 IonicContact CZ-OD2 3.2Å; R86-D337 IonicContact NE-OD2 3.31Å; R86-D337 IonicContact NH1-OD2 2.71Å; R86-D337 PolarHBondContact NH1-OD2 3.31Å; K230-D337 WeakPolarHBondContact CA-OD2 3.35Å; K230-D337 HydrophobicContact CB-CB 4.24Å; K230-D337 HydrophobicContact CD-CB 4.43Å; V231-D337 PolarHBondContact N-OD2 3.06Å; V231-D337 PolarHBondContact O-N 2.81Å
338	Q	98.2	Very high	98	Very high	87 Å²	87	63.2 Å²	63.2	41%	0.407	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144	174.9	-179.8	179	-8.9	0	0	109	I232 G233 L257 Y336	I232-Q338 CarbonylContact C-O 3.56Å; I232-Q338 WeakPolarHBondContact CA-O 3.45Å; I232-Q338 HydrophobicContact CG1-CB 4.3Å; I232-Q338 HydrophobicContact CG2-CB 4.38Å; I232-Q338 HydrophobicContact CG2-CG 4.47Å; G233-Q338 PolarHBondContact N-O 2.78Å; L257-Q338 VanDerWaalsContact CD2-NE2 3.34Å; Y336-Q338 PolarHBondContact O-N 3.13Å
339	V	98.1	Very high	98	Very high	81 Å²	81	63.2 Å²	63.2	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.4	175.5	-179.2	0	0	0	0	110.3	G233 Y336 E341	G233-V339 CarbonylContact O-C 3.58Å; G233-V339 VanDerWaalsContact O-CA 3.27Å; G233-V339 WeakPolarHBondContact O-CA 3.2Å; Y336-V339 HydrophobicContact CD2-CG2 4.25Å; V339-E341 HydrophobicContact CG1-CG 4.44Å
340	V	98.1	Very high	98	Very high	12 Å²	12	62 Å²	62	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.7	171.4	177.8	0	0	0	0	107.9	G233 V234 R235 I256 L257 I342	G233-V340 PolarHBondContact O-N 3.08Å; V234-V340 CarbonylContact C-O 3.58Å; V234-V340 VanDerWaalsContact CA-O 3.3Å; V234-V340 WeakPolarHBondContact CA-O 3.47Å; V234-V340 HydrophobicContact CG2-CB 4.38Å; R235-V340 PolarHBondContact N-O 2.81Å; I256-V340 HydrophobicContact CD1-CG1 3.95Å; I256-V340 HydrophobicContact CG2-CG1 4.21Å; I256-V340 HydrophobicContact CG2-CG2 4.42Å; L257-V340 HydrophobicContact CD2-CG2 4.14Å; V340-I342 HydrophobicContact CG1-CG1 4.46Å
341	E	98.4	Very high	98	Very high	125 Å²	125	60.3 Å²	60.3	58%	0.584	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.3	176.8	-58.2	-156.5	132.8	0	0	111.3	R235 V339	R235-E341 HydrophobicContact CB-CG 4.19Å; R235-E341 WeakPolarHBondContact CD-OE1 3.39Å; R235-E341 IonicContact CZ-OE1 3.27Å; R235-E341 IonicContact NE-OE1 3.75Å; R235-E341 IonicContact NH1-OE1 2.93Å; R235-E341 PolarHBondContact NH1-OE1 2.98Å; R235-E341 WeakPolarHBondContact O-CA 3.49Å; V339-E341 HydrophobicContact CG1-CG 4.44Å
342	I	98.5	Very high	98	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.4	174.4	-64.5	-177.2	0	0	0	109.6	V234 R235 L236 T237 V249 K252 V253 V340 L344 L347	V234-I342 HydrophobicContact CG1-CD1 4.34Å; R235-I342 PolarHBondContact O-N 2.67Å; L236-I342 HydrophobicContact CD2-CB 3.99Å; L236-I342 HydrophobicContact CD2-CG2 4.47Å; T237-I342 PolarHBondContact N-O 3.34Å; V249-I342 HydrophobicContact CG1-CD1 4.21Å; K252-I342 HydrophobicContact CB-CD1 4.48Å; K252-I342 HydrophobicContact CG-CD1 4.26Å; V253-I342 HydrophobicContact CG2-CD1 3.34Å; V340-I342 HydrophobicContact CG1-CG1 4.46Å; I342-L344 HydrophobicContact CG2-CD2 4.21Å; I342-L344 PolarHBondContact O-N 3.24Å; I342-L347 HydrophobicContact CG2-CD2 4.45Å
343	N	98.6	Very high	98	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106.3	169.1	-172.8	-7.8	0	0	0	110.2	S345 E346 L347	N343-S345 PolarHBondContact O-N 3.1Å; N343-S345 WeakPolarHBondContact OD1-CB 3.44Å; N343-S345 PolarHBondContact OD1-N 3.15Å; N343-E346 HydrophobicContact CB-CB 4.29Å; N343-E346 HydrophobicContact CB-CG 4.47Å; N343-E346 PolarHBondContact ND2-OE1 2.9Å; N343-E346 PolarHBondContact O-N 3.16Å; N343-L347 PolarHBondContact O-N 3.15Å
344	L	98.4	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.9	-179.6	-58.8	179.2	0	0	0	112.9	L236 T237 T239 L240 V249 G273 S276 I277 I342 L347	L236-L344 HydrophobicContact CB-CD1 4.27Å; L236-L344 HydrophobicContact CB-CG 4.45Å; L236-L344 HydrophobicContact CD2-CD2 4.22Å; T237-L344 WeakPolarHBondContact O-CB 3.39Å; T237-L344 WeakPolarHBondContact O-CG 3.41Å; T237-L344 PolarHBondContact O-N 2.86Å; T239-L344 CarbonylContact O-C 3.24Å; L240-L344 HydrophobicContact CD2-CB 4.28Å; L240-L344 HydrophobicContact CD2-CD2 4.09Å; L240-L344 HydrophobicContact CG-CB 4.4Å; L240-L344 HydrophobicContact CG-CD1 4.45Å; L240-L344 HydrophobicContact CG-CD2 4.44Å; V249-L344 HydrophobicContact CG2-CD2 3.55Å; G273-L344 WeakPolarHBondContact O-CD1 3.37Å; S276-L344 WeakPolarHBondContact OG-CD1 3.44Å; I277-L344 HydrophobicContact CD1-CD1 4.32Å; I277-L344 HydrophobicContact CG1-CD1 4.42Å; I342-L344 HydrophobicContact CG2-CD2 4.21Å; I342-L344 PolarHBondContact O-N 3.24Å; L344-L347 HydrophobicContact CD2-CD2 4.49Å
345	S	98	Very high	97.9	Very high	57 Å²	57	49.1 Å²	49.1	40%	0.399	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.9	179.7	-64	0	0	0	0	113.3	G238 T239 N343	G238-S345 WeakPolarHBondContact CA-OG 3.26Å; T239-S345 PolarHBondContact N-OG 2.86Å; T239-S345 WeakPolarHBondContact O-CA 3.36Å; T239-S345 PolarHBondContact O-N 3.16Å; T239-S345 PolarHBondContact O-OG 3.24Å; N343-S345 PolarHBondContact O-N 3.1Å; N343-S345 WeakPolarHBondContact OD1-CB 3.44Å; N343-S345 PolarHBondContact OD1-N 3.15Å
346	E	97.8	Very high	97.8	Very high	146 Å²	146	43.5 Å²	43.5	68%	0.682	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.3	174.2	-70.2	170.5	-159.1	0	0	112.2	N343 K348	N343-E346 HydrophobicContact CB-CB 4.29Å; N343-E346 HydrophobicContact CB-CG 4.47Å; N343-E346 PolarHBondContact ND2-OE1 2.9Å; N343-E346 PolarHBondContact O-N 3.16Å; E346-K348 PolarHBondContact O-N 2.9Å
347	L	97.9	Very high	97.6	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	21%	0.212	C	C	.	.			trans	-63	132.3	178.7	-174.8	65.7	0	0	0	110.7	L240 T244 D248 V249 K252 I342 N343 L344	L240-L347 HydrophobicContact CD2-CD2 4.33Å; T244-L347 WeakPolarHBondContact CB-O 3.04Å; T244-L347 HydrophobicContact CG2-CB 3.98Å; T244-L347 HydrophobicContact CG2-CD2 3.79Å; T244-L347 HydrophobicContact CG2-CG 3.64Å; T244-L347 WeakPolarHBondContact CG2-O 3.39Å; T244-L347 PolarHBondContact OG1-O 2.97Å; D248-L347 HydrophobicContact CB-CD2 3.94Å; D248-L347 HydrophobicContact CB-CG 4.24Å; V249-L347 HydrophobicContact CB-CD2 4.38Å; V249-L347 HydrophobicContact CG2-CD2 3.71Å; K252-L347 HydrophobicContact CB-CD1 3.99Å; K252-L347 HydrophobicContact CG-CD1 4.14Å; I342-L347 HydrophobicContact CG2-CD2 4.45Å; N343-L347 PolarHBondContact O-N 3.15Å; L344-L347 HydrophobicContact CD2-CD2 4.49Å
348	K	97.4	Very high	97.5	Very high	99 Å²	99	39.4 Å²	39.4	43%	0.43	20%	0.2	S	C	.	.			trans	-116.8	163.7	179	-67.9	-59.7	-170.9	169.4	0	111.3	T244 E346 H350 E513	T244-K348 WeakPolarHBondContact OG1-CA 3.48Å; E346-K348 PolarHBondContact O-N 2.9Å; K348-H350 PolarHBondContact O-CE1 3.42Å; K348-H350 PolarHBondContact O-N 3.37Å; K348-H350 PolarHBondContact O-ND1 3.32Å; K348-E513 IonicContact NZ-OE1 3.87Å; K348-E513 PolarHBondContact NZ-OE1 3.19Å
349	P	98.4	Very high	97.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	20%	0.198	C	C	.	.			trans	-54.1	134	178.5	-27.2	36	0	0	0	112.8	W243 D248 V363 I498 E513	W243-P349 HydrophobicContact CB-CG 3.47Å; W243-P349 VanDerWaalsContact CB-CG 3.47Å; D248-P349 WeakPolarHBondContact OD1-CA 3.49Å; P349-V363 HydrophobicContact CB-CB 4.11Å; P349-V363 HydrophobicContact CB-CG2 3.72Å; P349-V363 PolarHBondContact O-N 2.83Å; P349-I498 HydrophobicContact CB-CD1 3.85Å; P349-I498 HydrophobicContact CB-CG1 4.14Å; P349-I498 HydrophobicContact CG-CD1 4.24Å; P349-E513 WeakPolarHBondContact CD-OE2 3.25Å
350	H	98.6	Very high	97.5	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.06	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.7	179.5	-82.2	64.5	0	0	0	111.9	D248 L251 K348 H361 T494	D248-H350 PolarHBondContact OD1-N 2.89Å; L251-H350 HydrophobicContact CB-CB 3.93Å; L251-H350 HydrophobicContact CD1-CB 4.06Å; L251-H350 WeakPolarHBondContact CD1-O 3.24Å; K348-H350 PolarHBondContact O-CE1 3.42Å; K348-H350 PolarHBondContact O-N 3.37Å; K348-H350 PolarHBondContact O-ND1 3.32Å; H350-H361 CarbonylContact C-O 3.57Å; H350-H361 WeakPolarHBondContact CA-O 3.49Å; H350-T494 WeakPolarHBondContact O-CB 3.08Å; H350-T494 PolarHBondContact O-OG1 3.39Å
351	I	98.7	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	121.9	175	-178	166.7	0	0	0	108.5	H361 V363 I366 V472 F492 V493 L502 L508	I351-H361 HydrophobicContact CG2-CB 4.28Å; I351-H361 PolarHBondContact N-O 2.92Å; I351-H361 PolarHBondContact O-CD2 3.11Å; I351-H361 PolarHBondContact O-N 2.96Å; I351-V363 HydrophobicContact CB-CG2 4.17Å; I351-V363 HydrophobicContact CG2-CG2 4.03Å; I351-I366 HydrophobicContact CD1-CG1 4.42Å; I351-I366 HydrophobicContact CG2-CB 3.69Å; I351-I366 HydrophobicContact CG2-CD1 4.22Å; I351-I366 HydrophobicContact CG2-CG1 3.8Å; I351-I366 HydrophobicContact CG2-CG2 4.01Å; I351-V472 HydrophobicContact CD1-CG1 4.03Å; I351-F492 HydrophobicContact CD1-CB 3.64Å; I351-F492 HydrophobicContact CD1-CD1 4.34Å; I351-F492 HydrophobicContact CD1-CG 4.12Å; I351-F492 HydrophobicContact CG1-CB 3.63Å; I351-F492 HydrophobicContact CG1-CD1 4.08Å; I351-F492 HydrophobicContact CG1-CG 4.19Å; I351-V493 WeakPolarHBondContact CA-O 3.25Å; I351-L502 HydrophobicContact CD1-CD1 4.1Å; I351-L508 HydrophobicContact CD1-CD2 4.16Å
352	N	98.7	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.6	-175.8	-62.9	16.9	0	0	0	111.2	L251 P357 L359 A360 N478 F492 V493	L251-N352 HydrophobicContact CD2-CB 3.96Å; L251-N352 PolarHBondContact O-ND2 3.49Å; N352-P357 WeakPolarHBondContact CB-O 3.48Å; N352-P357 PolarHBondContact ND2-O 3.44Å; N352-L359 CarbonylContact C-O 3.51Å; N352-L359 WeakPolarHBondContact CA-O 3.45Å; N352-A360 VanDerWaalsContact OD1-CA 3.24Å; N352-A360 WeakPolarHBondContact OD1-CA 3.4Å; N352-A360 WeakPolarHBondContact OD1-CB 3.42Å; N352-N478 PolarHBondContact O-ND2 3.4Å; N352-F492 CarbonylContact O-C 3.58Å; N352-F492 VanDerWaalsContact O-CA 3.3Å; N352-F492 WeakPolarHBondContact O-CA 3.38Å; N352-V493 HydrophobicContact CB-CG2 3.92Å; N352-V493 PolarHBondContact N-O 2.77Å; N352-V493 PolarHBondContact O-N 3.22Å
353	G	97.5	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	141.8	-175.9	178.3	0	0	0	0	0	115.1	L359 H361 N478	G353-L359 PolarHBondContact N-O 3.1Å; G353-L359 WeakPolarHBondContact O-CD2 3.16Å; G353-L359 WeakPolarHBondContact O-CG 3.39Å; G353-H361 PolarHBondContact O-NE2 3.08Å; G353-N478 WeakPolarHBondContact CA-ND2 3.41Å
354	P	96	Very high	97.5	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	18%	0.177	C	C	.	.	S	Bend	cis	-100.1	-8.6	23.5	32.7	-34.3	0	0	0	118.1	W375 H490 A491 F492	P354-W375 VanDerWaalsContact CD-CZ2 3.44Å; P354-W375 HydrophobicContact CG-CD2 4.11Å; P354-W375 HydrophobicContact CG-CG 4.49Å; P354-W375 HydrophobicContact CG-CZ2 4Å; P354-H490 HydrophobicContact CB-CB 3.66Å; P354-H490 HydrophobicContact CG-CB 4.49Å; P354-A491 CarbonylContact C-O 3.57Å; P354-A491 VanDerWaalsContact CA-O 3.29Å; P354-A491 WeakPolarHBondContact CA-O 3.37Å; P354-A491 PolarHBondContact O-N 2.94Å; P354-F492 HydrophobicContact CB-CE1 4.04Å; P354-F492 HydrophobicContact CB-CE2 4.01Å; P354-F492 HydrophobicContact CB-CZ 3.69Å; P354-F492 HydrophobicContact CG-CZ 4.27Å
355	F	94.9	Very high	97.4	Very high	68 Å²	68	37.5 Å²	37.5	30%	0.298	20%	0.201	S	C	.	.	S	Bend	trans	-126.5	2.5	-173.6	-61.8	-66.4	0	0	0	114.4	N478 T480 T489 H490	F355-N478 CarbonylContact C-O 3.57Å; F355-N478 VanDerWaalsContact CA-O 3.31Å; F355-N478 WeakPolarHBondContact CA-O 3.34Å; F355-T480 WeakPolarHBondContact CD1-OG1 3.35Å; F355-T489 WeakPolarHBondContact CE1-O 3.47Å; F355-H490 AromaticContact CE2-NE2 3.87Å; F355-H490 AromaticContact CZ-CE1 3.73Å; F355-H490 AromaticContact CZ-ND1 3.82Å; F355-H490 AromaticContact CZ-NE2 3.89Å
356	T	94.6	Very high	97.4	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	18%	0.182	C	C	.	.			trans	-149.6	141.7	-180	-170.3	0	0	0	0	109.7	D358 L359 N478	T356-D358 WeakPolarHBondContact CB-OD1 3.24Å; T356-D358 WeakPolarHBondContact CG2-OD1 3.34Å; T356-D358 PolarHBondContact O-N 3.26Å; T356-D358 PolarHBondContact OG1-OD1 3.38Å; T356-L359 HydrophobicContact CG2-CB 3.5Å; T356-N478 WeakPolarHBondContact CA-OD1 3.17Å; T356-N478 PolarHBondContact N-OD1 3.25Å; T356-N478 PolarHBondContact O-ND2 3.29Å; T356-N478 PolarHBondContact O-OD1 3.32Å
357	P	95	Very high	97.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.3	-175.1	30.7	-37.1	0	0	0	113.3	V259 M288 E291 N352 N478 F479	V259-P357 HydrophobicContact CG1-CG 3.91Å; M288-P357 HydrophobicContact CE-CB 3.93Å; E291-P357 HydrophobicContact CB-CB 4.02Å; E291-P357 HydrophobicContact CB-CG 3.75Å; E291-P357 HydrophobicContact CG-CB 3.84Å; E291-P357 HydrophobicContact CG-CG 3.77Å; N352-P357 WeakPolarHBondContact CB-O 3.48Å; N352-P357 PolarHBondContact ND2-O 3.44Å; P357-N478 VanDerWaalsContact N-OD1 3.11Å; P357-F479 HydrophobicContact CG-CE1 4.31Å
358	D	96.5	Very high	97.4	Very high	29 Å²	29	30.9 Å²	30.9	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.9	179.8	61.3	-9.4	0	0	0	114.4	A254 G255 T258 V259 T356 A360	A254-D358 VanDerWaalsContact O-CB 3.29Å; A254-D358 WeakPolarHBondContact O-CB 3.35Å; G255-D358 WeakPolarHBondContact CA-O 3.41Å; T258-D358 WeakPolarHBondContact CA-OD2 3.36Å; T258-D358 WeakPolarHBondContact CB-OD2 3.1Å; V259-D358 HydrophobicContact CG1-CB 4.2Å; V259-D358 PolarHBondContact N-OD2 2.92Å; T356-D358 WeakPolarHBondContact CB-OD1 3.24Å; T356-D358 WeakPolarHBondContact CG2-OD1 3.34Å; T356-D358 PolarHBondContact O-N 3.26Å; T356-D358 PolarHBondContact OG1-OD1 3.38Å; D358-A360 VanDerWaalsContact C-N 3.27Å; D358-A360 PolarHBondContact O-N 3.46Å
359	L	97.7	Very high	97.4	Very high	69 Å²	69	27.9 Å²	27.9	36%	0.361	17%	0.167	S	C	.	.			trans	-78.2	82.8	175.5	-179.5	55.1	0	0	0	109.3	N352 G353 T356 H361 W375	N352-L359 CarbonylContact C-O 3.51Å; N352-L359 WeakPolarHBondContact CA-O 3.45Å; G353-L359 PolarHBondContact N-O 3.1Å; G353-L359 WeakPolarHBondContact O-CD2 3.16Å; G353-L359 WeakPolarHBondContact O-CG 3.39Å; T356-L359 HydrophobicContact CG2-CB 3.5Å; L359-H361 PolarHBondContact O-CD2 2.81Å; L359-H361 PolarHBondContact O-NE2 3.16Å; L359-W375 HydrophobicContact CD2-CH2 4.25Å; L359-W375 HydrophobicContact CD2-CZ2 4.49Å
360	A	97.9	Very high	97.3	Very high	33 Å²	33	27.8 Å²	27.8	27%	0.273	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.3	-169.7	0	0	0	0	0	113.6	N352 D358	N352-A360 VanDerWaalsContact OD1-CA 3.24Å; N352-A360 WeakPolarHBondContact OD1-CA 3.4Å; N352-A360 WeakPolarHBondContact OD1-CB 3.42Å; D358-A360 VanDerWaalsContact C-N 3.27Å; D358-A360 PolarHBondContact O-N 3.46Å
361	H	98.4	Very high	97.3	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.088	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.5	174.9	-49.4	-84	0	0	0	110.1	H350 I351 G353 L359 I366 W375	H350-H361 CarbonylContact C-O 3.57Å; H350-H361 WeakPolarHBondContact CA-O 3.49Å; I351-H361 HydrophobicContact CG2-CB 4.28Å; I351-H361 PolarHBondContact N-O 2.92Å; I351-H361 PolarHBondContact O-CD2 3.11Å; I351-H361 PolarHBondContact O-N 2.96Å; G353-H361 PolarHBondContact O-NE2 3.08Å; L359-H361 PolarHBondContact O-CD2 2.81Å; L359-H361 PolarHBondContact O-NE2 3.16Å; H361-I366 HydrophobicContact CB-CD1 4.07Å; H361-W375 AromaticContact NE2-CH2 3.9Å
362	P	98.4	Very high	97.2	Very high	31 Å²	31	42.8 Å²	42.8	20%	0.201	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	142	160.2	-21.7	34.2	0	0	0	110.5	S364 E365 I366	P362-S364 PolarHBondContact O-N 2.99Å; P362-S364 VanDerWaalsContact O-N 3.17Å; P362-E365 HydrophobicContact CB-CG 4.35Å; P362-E365 HydrophobicContact CG-CG 4.46Å; P362-E365 PolarHBondContact O-N 3.5Å; P362-I366 PolarHBondContact O-N 3.44Å
363	V	98.2	Very high	97.1	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-30.5	177.9	172	0	0	0	0	111.6	P349 I351 E365 I366 I498	P349-V363 HydrophobicContact CB-CB 4.11Å; P349-V363 HydrophobicContact CB-CG2 3.72Å; P349-V363 PolarHBondContact O-N 2.83Å; I351-V363 HydrophobicContact CB-CG2 4.17Å; I351-V363 HydrophobicContact CG2-CG2 4.03Å; V363-E365 PolarHBondContact O-N 2.82Å; V363-I366 WeakPolarHBondContact O-CG2 3.37Å; V363-I498 HydrophobicContact CG1-CG2 4.41Å; V363-I498 HydrophobicContact CG2-CD1 4.49Å; V363-I498 HydrophobicContact CG2-CG2 3.93Å
364	S	97.8	Very high	97.1	Very high	68 Å²	68	48.1 Å²	48.1	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-21.8	175.7	53.9	0	0	0	0	114.4	P362	P362-S364 PolarHBondContact O-N 2.99Å; P362-S364 VanDerWaalsContact O-N 3.17Å
365	E	97.6	Very high	97.2	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-106.8	-21.7	-172.3	-65.4	177.4	-165.6	0	0	113.2	P362 V363 G367 A368 V369	P362-E365 HydrophobicContact CB-CG 4.35Å; P362-E365 HydrophobicContact CG-CG 4.46Å; P362-E365 PolarHBondContact O-N 3.5Å; V363-E365 PolarHBondContact O-N 2.82Å; E365-G367 VanDerWaalsContact C-N 3.26Å; E365-G367 PolarHBondContact O-N 3.29Å; E365-G367 VanDerWaalsContact O-N 3.13Å; E365-A368 PolarHBondContact O-N 2.66Å; E365-V369 PolarHBondContact O-N 2.82Å; E365-V369 VanDerWaalsContact O-N 3.08Å
366	I	97.5	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-34.6	-169.3	-168.1	59	0	0	0	113.4	I351 H361 P362 V363 A368 V369 A370 W375 F492 L508	I351-I366 HydrophobicContact CD1-CG1 4.42Å; I351-I366 HydrophobicContact CG2-CB 3.69Å; I351-I366 HydrophobicContact CG2-CD1 4.22Å; I351-I366 HydrophobicContact CG2-CG1 3.8Å; I351-I366 HydrophobicContact CG2-CG2 4.01Å; H361-I366 HydrophobicContact CB-CD1 4.07Å; P362-I366 PolarHBondContact O-N 3.44Å; V363-I366 WeakPolarHBondContact O-CG2 3.37Å; I366-A368 PolarHBondContact O-N 2.93Å; I366-V369 PolarHBondContact O-N 2.6Å; I366-A370 WeakPolarHBondContact O-CB 3.26Å; I366-A370 PolarHBondContact O-N 3.39Å; I366-W375 HydrophobicContact CD1-CE3 4.49Å; I366-W375 HydrophobicContact CD1-CZ3 4.05Å; I366-F492 HydrophobicContact CD1-CD1 4.21Å; I366-F492 HydrophobicContact CD1-CE1 3.74Å; I366-F492 HydrophobicContact CD1-CZ 4.43Å; I366-F492 HydrophobicContact CG1-CE1 4.44Å; I366-L508 VanDerWaalsContact CG2-O 3.28Å; I366-L508 WeakPolarHBondContact CG2-O 3.39Å
367	G	97	Very high	97.5	Very high	8 Å²	8	49 Å²	49	8%	0.082	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-41.3	176.7	0	0	0	0	0	113.5	E365 K371	E365-G367 VanDerWaalsContact C-N 3.26Å; E365-G367 PolarHBondContact O-N 3.29Å; E365-G367 VanDerWaalsContact O-N 3.13Å; G367-K371 WeakPolarHBondContact O-CG 3.15Å; G367-K371 PolarHBondContact O-N 3.43Å
368	A	97.8	Very high	97.7	Very high	70 Å²	70	54 Å²	54	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-72.2	-41.9	177.9	0	0	0	0	0	111.1	E365 I366 K371 K372	E365-A368 PolarHBondContact O-N 2.66Å; I366-A368 PolarHBondContact O-N 2.93Å; A368-K371 PolarHBondContact O-N 3.12Å; A368-K372 PolarHBondContact O-N 3.35Å
369	V	97.8	Very high	97.8	Very high	36 Å²	36	52.8 Å²	52.8	22%	0.218	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-45.8	176.6	178	0	0	0	0	110.9	E365 I366 K371 K372 S373 W375	E365-V369 PolarHBondContact O-N 2.82Å; E365-V369 VanDerWaalsContact O-N 3.08Å; I366-V369 PolarHBondContact O-N 2.6Å; V369-K371 VanDerWaalsContact C-N 3.33Å; V369-K371 PolarHBondContact O-N 3.12Å; V369-K372 PolarHBondContact O-N 3.33Å; V369-K372 VanDerWaalsContact O-N 3.15Å; V369-S373 WeakPolarHBondContact O-CB 3.1Å; V369-S373 PolarHBondContact O-N 2.97Å; V369-S373 PolarHBondContact O-OG 3.17Å; V369-S373 VanDerWaalsContact O-OG 3.14Å; V369-W375 HydrophobicContact CB-CZ3 4.49Å; V369-W375 HydrophobicContact CG1-CE3 4.39Å; V369-W375 HydrophobicContact CG1-CH2 3.8Å; V369-W375 HydrophobicContact CG1-CZ3 3.57Å
370	A	97.6	Very high	97.7	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-41.9	178.4	0	0	0	0	0	112.2	I366 S373 G374 W375 L377 L508	I366-A370 WeakPolarHBondContact O-CB 3.26Å; I366-A370 PolarHBondContact O-N 3.39Å; A370-S373 PolarHBondContact O-N 2.69Å; A370-G374 PolarHBondContact O-N 3.39Å; A370-W375 HydrophobicContact CB-CB 3.99Å; A370-W375 HydrophobicContact CB-CE3 4.03Å; A370-W375 PolarHBondContact O-N 3.19Å; A370-L377 HydrophobicContact CB-CD2 3.58Å; A370-L508 HydrophobicContact CB-CD1 4.21Å
371	K	97.3	Very high	97.7	Very high	137 Å²	137	50.4 Å²	50.4	60%	0.596	28%	0.28	S	S	*	.	H	α-helix	trans	-60.1	-48.2	173.2	-75	171.6	-172.5	174.5	0	112	G367 A368 V369 S373 G374 L377	G367-K371 WeakPolarHBondContact O-CG 3.15Å; G367-K371 PolarHBondContact O-N 3.43Å; A368-K371 PolarHBondContact O-N 3.12Å; V369-K371 VanDerWaalsContact C-N 3.33Å; V369-K371 PolarHBondContact O-N 3.12Å; K371-S373 VanDerWaalsContact C-N 3.34Å; K371-S373 PolarHBondContact O-N 3.35Å; K371-G374 PolarHBondContact O-N 3.03Å; K371-L377 HydrophobicContact CD-CD1 4.21Å; K371-L377 VanDerWaalsContact CE-CD1 3.42Å; K371-L377 HydrophobicContact CG-CD1 3.68Å; K371-L377 HydrophobicContact CG-CD2 4.18Å; K371-L377 HydrophobicContact CG-CG 4.29Å
372	K	97.6	Very high	97.7	Very high	191 Å²	191	49.5 Å²	49.5	83%	0.83	28%	0.276	S	S	*	.	H	α-helix	trans	-64.4	-39	-178.9	-175.3	-179	176.8	-175.8	0	112.1	A368 V369	A368-K372 PolarHBondContact O-N 3.35Å; V369-K372 PolarHBondContact O-N 3.33Å; V369-K372 VanDerWaalsContact O-N 3.15Å
373	S	96.8	Very high	97.7	Very high	60 Å²	60	48 Å²	48	42%	0.42	27%	0.266	S	S	.	.	H	α-helix	trans	-88.1	-2.1	-176.5	-58.5	0	0	0	0	113.8	V369 A370 K371 W375	V369-S373 WeakPolarHBondContact O-CB 3.1Å; V369-S373 PolarHBondContact O-N 2.97Å; V369-S373 PolarHBondContact O-OG 3.17Å; V369-S373 VanDerWaalsContact O-OG 3.14Å; A370-S373 PolarHBondContact O-N 2.69Å; K371-S373 VanDerWaalsContact C-N 3.34Å; K371-S373 PolarHBondContact O-N 3.35Å; S373-W375 VanDerWaalsContact C-N 3.32Å; S373-W375 PolarHBondContact O-N 3.33Å
374	G	97.1	Very high	97.7	Very high	52 Å²	52	48 Å²	48	54%	0.536	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	26.8	-178.2	0	0	0	0	0	114	A370 K371	A370-G374 PolarHBondContact O-N 3.39Å; K371-G374 PolarHBondContact O-N 3.03Å
375	W	97.9	Very high	97.6	Very high	37 Å²	37	44.7 Å²	44.7	14%	0.14	24%	0.243	C	C	.	.			trans	-81.9	139.9	175.4	-55.4	-24.4	0	0	0	110.4	P354 L359 H361 I366 V369 A370 S373 L377 H490 F492	P354-W375 VanDerWaalsContact CD-CZ2 3.44Å; P354-W375 HydrophobicContact CG-CD2 4.11Å; P354-W375 HydrophobicContact CG-CG 4.49Å; P354-W375 HydrophobicContact CG-CZ2 4Å; L359-W375 HydrophobicContact CD2-CH2 4.25Å; L359-W375 HydrophobicContact CD2-CZ2 4.49Å; H361-W375 AromaticContact NE2-CH2 3.9Å; I366-W375 HydrophobicContact CD1-CE3 4.49Å; I366-W375 HydrophobicContact CD1-CZ3 4.05Å; V369-W375 HydrophobicContact CB-CZ3 4.49Å; V369-W375 HydrophobicContact CG1-CE3 4.39Å; V369-W375 HydrophobicContact CG1-CH2 3.8Å; V369-W375 HydrophobicContact CG1-CZ3 3.57Å; A370-W375 HydrophobicContact CB-CB 3.99Å; A370-W375 HydrophobicContact CB-CE3 4.03Å; A370-W375 PolarHBondContact O-N 3.19Å; S373-W375 VanDerWaalsContact C-N 3.32Å; S373-W375 PolarHBondContact O-N 3.33Å; W375-L377 PolarHBondContact O-N 2.94Å; W375-H490 AromaticContact CD1-CD2 3.41Å; W375-H490 VanDerWaalsContact CD1-CD2 3.41Å; W375-H490 AromaticContact CD1-NE2 3.55Å; W375-H490 AromaticContact CG-CD2 3.75Å; W375-F492 HydrophobicContact CD2-CZ 4.17Å; W375-F492 AromaticContact CE3-CE1 3.99Å; W375-F492 HydrophobicContact CE3-CE1 3.99Å; W375-F492 AromaticContact CE3-CZ 3.6Å; W375-F492 HydrophobicContact CE3-CZ 3.6Å; W375-F492 AromaticContact CZ3-CE1 3.99Å; W375-F492 HydrophobicContact CZ3-CE1 3.99Å; W375-F492 HydrophobicContact CZ3-CZ 4.09Å
376	P	97.9	Very high	97.3	Very high	31 Å²	31	39.8 Å²	39.8	20%	0.201	22%	0.22	C	C	.	.			trans	-59.2	125	179.3	-22.5	33.4	0	0	0	111.5	K468 T470	P376-K468 HydrophobicContact CG-CB 4.13Å; P376-T470 WeakPolarHBondContact O-CB 3.25Å; P376-T470 PolarHBondContact O-OG1 2.74Å
377	L	98.2	Very high	96.7	Very high	50 Å²	50	40.1 Å²	40.1	26%	0.262	22%	0.222	S	C	.	.			trans	-78.7	-26.6	179.3	-71.2	178.2	0	0	0	113.5	A370 K371 W375 V379 T507 L508 S509	A370-L377 HydrophobicContact CB-CD2 3.58Å; K371-L377 HydrophobicContact CD-CD1 4.21Å; K371-L377 VanDerWaalsContact CE-CD1 3.42Å; K371-L377 HydrophobicContact CG-CD1 3.68Å; K371-L377 HydrophobicContact CG-CD2 4.18Å; K371-L377 HydrophobicContact CG-CG 4.29Å; W375-L377 PolarHBondContact O-N 2.94Å; L377-V379 PolarHBondContact O-N 3.29Å; L377-T507 CarbonylContact O-C 3.53Å; L377-T507 WeakPolarHBondContact O-CA 3.48Å; L377-T507 PolarHBondContact O-OG1 3.2Å; L377-L508 HydrophobicContact CD2-CB 4.38Å; L377-L508 PolarHBondContact O-N 2.64Å; L377-S509 WeakPolarHBondContact CD2-OG 3.49Å
378	E	98.3	Very high	96.5	Very high	107 Å²	107	39.9 Å²	39.9	50%	0.5	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-71.2	120.6	179.2	-173.7	-168.8	175.1	0	0	109.4	K380 T470	E378-K380 VanDerWaalsContact CD-CE 3.48Å; E378-K380 HydrophobicContact CG-CD 4.46Å; E378-K380 PolarHBondContact O-N 3.04Å; E378-K380 WeakPolarHBondContact OE1-CE 3.42Å; E378-K380 IonicContact OE1-NZ 2.56Å; E378-K380 PolarHBondContact OE1-NZ 3.3Å; E378-K380 VanDerWaalsContact OE2-CE 3.23Å; E378-K380 WeakPolarHBondContact OE2-CE 3.41Å; E378-K380 IonicContact OE2-NZ 3.81Å; E378-K380 PolarHBondContact OE2-NZ 3.08Å; E378-T470 WeakPolarHBondContact O-CB 3.41Å
379	V	98.2	Very high	96.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	110.4	172.8	177.4	0	0	0	0	107.2	L377 A414 T470 V472 G506 L508	L377-V379 PolarHBondContact O-N 3.29Å; V379-A414 HydrophobicContact CB-CB 4.42Å; V379-A414 HydrophobicContact CG1-CB 4.01Å; V379-A414 WeakPolarHBondContact O-CB 3.34Å; V379-T470 HydrophobicContact CG2-CG2 4.3Å; V379-V472 HydrophobicContact CG1-CG2 3.95Å; V379-V472 HydrophobicContact CG2-CG2 3.88Å; V379-G506 PolarHBondContact N-O 2.96Å; V379-L508 HydrophobicContact CG2-CD2 3.97Å; V379-L508 HydrophobicContact CG2-CG 4.05Å
380	K	97.1	Very high	96.3	Very high	52 Å²	52	35 Å²	35	23%	0.226	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-43.5	179.4	-70	-66.2	-172.7	-172.4	0	111.8	E378 Q415 N469 T470	E378-K380 VanDerWaalsContact CD-CE 3.48Å; E378-K380 HydrophobicContact CG-CD 4.46Å; E378-K380 PolarHBondContact O-N 3.04Å; E378-K380 WeakPolarHBondContact OE1-CE 3.42Å; E378-K380 IonicContact OE1-NZ 2.56Å; E378-K380 PolarHBondContact OE1-NZ 3.3Å; E378-K380 VanDerWaalsContact OE2-CE 3.23Å; E378-K380 WeakPolarHBondContact OE2-CE 3.41Å; E378-K380 IonicContact OE2-NZ 3.81Å; E378-K380 PolarHBondContact OE2-NZ 3.08Å; K380-Q415 PolarHBondContact O-N 3.34Å; K380-N469 HydrophobicContact CG-CB 4.03Å; K380-T470 PolarHBondContact N-O 3.32Å
381	V	97.6	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.1	-177.8	-164.7	0	0	0	0	110.3	L383 Q415 W457 I471 V472	V381-L383 HydrophobicContact CB-CD1 3.9Å; V381-L383 HydrophobicContact CG1-CD1 3.57Å; V381-L383 HydrophobicContact CG1-CG 3.87Å; V381-Q415 CarbonylContact C-O 3.46Å; V381-Q415 VanDerWaalsContact CA-O 3.31Å; V381-Q415 WeakPolarHBondContact CA-O 3.37Å; V381-Q415 HydrophobicContact CB-CB 4.4Å; V381-Q415 HydrophobicContact CG1-CB 4.04Å; V381-Q415 HydrophobicContact CG2-CB 4.13Å; V381-W457 HydrophobicContact CB-CH2 4.13Å; V381-W457 HydrophobicContact CG1-CH2 3.96Å; V381-W457 HydrophobicContact CG1-CZ2 4.25Å; V381-W457 HydrophobicContact CG2-CH2 3.91Å; V381-W457 HydrophobicContact CG2-CZ2 4.35Å; V381-I471 HydrophobicContact CB-CG2 4.09Å; V381-I471 HydrophobicContact CG2-CG2 4.38Å; V381-I471 WeakPolarHBondContact O-CA 3.35Å; V381-V472 PolarHBondContact O-N 3.34Å
382	G	98.3	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127	165.2	0	0	0	0	0	110	Q415 F416 T417 V472	G382-Q415 PolarHBondContact N-O 3.13Å; G382-F416 WeakPolarHBondContact O-CA 3.34Å; G382-F416 WeakPolarHBondContact O-CD2 3.43Å; G382-T417 PolarHBondContact O-N 3.08Å; G382-V472 CarbonylContact C-O 3.52Å; G382-V472 VanDerWaalsContact CA-O 3.31Å; G382-V472 WeakPolarHBondContact CA-O 3.26Å
383	L	98.3	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.1	-178.1	-57.1	91.8	0	0	0	110.1	V381 T417 P452 W457 I471 V472 T473 S474 F475	V381-L383 HydrophobicContact CB-CD1 3.9Å; V381-L383 HydrophobicContact CG1-CD1 3.57Å; V381-L383 HydrophobicContact CG1-CG 3.87Å; L383-T417 WeakPolarHBondContact CD2-OG1 3.44Å; L383-T417 VanDerWaalsContact CG-OG1 3.3Å; L383-T417 WeakPolarHBondContact CG-OG1 3.38Å; L383-P452 HydrophobicContact CD2-CB 3.55Å; L383-P452 HydrophobicContact CD2-CG 3.85Å; L383-W457 HydrophobicContact CD1-CH2 4.47Å; L383-W457 HydrophobicContact CD2-CH2 4.23Å; L383-W457 HydrophobicContact CD2-CZ3 4.18Å; L383-I471 HydrophobicContact CD1-CB 4.27Å; L383-V472 PolarHBondContact N-O 3.18Å; L383-T473 HydrophobicContact CB-CG2 4.14Å; L383-T473 HydrophobicContact CD1-CG2 3.85Å; L383-T473 HydrophobicContact CG-CG2 4.49Å; L383-T473 CarbonylContact O-C 3.25Å; L383-T473 VanDerWaalsContact O-CA 3.22Å; L383-T473 WeakPolarHBondContact O-CA 3.44Å; L383-S474 PolarHBondContact O-N 2.92Å; L383-F475 HydrophobicContact CB-CE2 4.26Å; L383-F475 HydrophobicContact CB-CZ 3.86Å; L383-F475 HydrophobicContact CD2-CE2 4.31Å; L383-F475 HydrophobicContact CD2-CZ 4.27Å
384	I	98.4	Very high	96.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	155.7	174.3	65.1	164.5	0	0	0	111.9	M395 A398 F416 T417 V418 T419 L438 S474 P496 V499	I384-M395 HydrophobicContact CD1-SD 4.26Å; I384-A398 HydrophobicContact CD1-CB 3.68Å; I384-F416 HydrophobicContact CD1-CE1 4.42Å; I384-F416 HydrophobicContact CD1-CE2 4.42Å; I384-F416 HydrophobicContact CD1-CZ 3.68Å; I384-F416 HydrophobicContact CG1-CE2 4.1Å; I384-F416 HydrophobicContact CG1-CZ 3.8Å; I384-F416 HydrophobicContact CG2-CE2 3.86Å; I384-F416 HydrophobicContact CG2-CZ 4.13Å; I384-T417 PolarHBondContact N-O 3.02Å; I384-V418 HydrophobicContact CD1-CB 4.49Å; I384-V418 HydrophobicContact CD1-CG1 4.06Å; I384-V418 HydrophobicContact CD1-CG2 3.95Å; I384-V418 HydrophobicContact CG1-CB 4.15Å; I384-V418 HydrophobicContact CG1-CG1 4.05Å; I384-V418 HydrophobicContact CG1-CG2 3.81Å; I384-V418 WeakPolarHBondContact O-CA 3.05Å; I384-T419 PolarHBondContact O-N 3.45Å; I384-L438 HydrophobicContact CD1-CD1 4.48Å; I384-L438 HydrophobicContact CD1-CD2 4.37Å; I384-S474 VanDerWaalsContact CA-OG 3.3Å; I384-S474 WeakPolarHBondContact CA-OG 3.43Å; I384-P496 HydrophobicContact CB-CB 3.99Å; I384-P496 HydrophobicContact CG2-CB 3.84Å; I384-P496 WeakPolarHBondContact CG2-O 3.2Å; I384-V499 HydrophobicContact CG2-CB 3.55Å; I384-V499 HydrophobicContact CG2-CG1 3.55Å; I384-V499 HydrophobicContact CG2-CG2 4.18Å
385	G	95.4	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.4	-138.8	179.5	0	0	0	0	0	113.6	N389 T419 S474	G385-N389 VanDerWaalsContact CA-O 3.22Å; G385-N389 WeakPolarHBondContact CA-O 3.17Å; G385-N389 PolarHBondContact N-O 3.44Å; G385-T419 WeakPolarHBondContact CA-O 3.39Å; G385-S474 PolarHBondContact N-OG 2.82Å; G385-S474 PolarHBondContact O-OG 3Å
386	S	91.3	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-179.4	-167.1	-166.6	0	0	0	0	112.8	T388 S390 T419 C453 F475	S386-T388 PolarHBondContact O-N 3.04Å; S386-T388 VanDerWaalsContact O-N 3.08Å; S386-S390 WeakPolarHBondContact O-CB 3.44Å; S386-S390 PolarHBondContact O-N 3.03Å; S386-S390 PolarHBondContact O-OG 3.3Å; S386-T419 PolarHBondContact N-O 3.25Å; S386-C453 WeakPolarHBondContact OG-CB 3.48Å; S386-C453 PolarHBondContact OG-SG 3.07Å; S386-F475 VanDerWaalsContact CB-CE1 3.41Å
387	C	85.8	Confident	96.5	Very high	8 Å²	8	15 Å²	15	5%	0.054	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.1	-172.7	58.1	0	0	0	0	115.3	I174 H176	I174-C387 HydrophobicContact CG2-CB 3.69Å; H176-C387 HydrophobicContact CB-CB 4.07Å
388	T	92.4	Very high	96.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-38.4	-173.3	-47.8	0	0	0	0	113.1	K247 T284 N287 S386 N476	K247-T388 HydrophobicContact CD-CG2 4.39Å; T284-T388 WeakPolarHBondContact CB-O 3.47Å; T284-T388 HydrophobicContact CG2-CG2 4.07Å; T284-T388 PolarHBondContact OG1-O 3.07Å; N287-T388 HydrophobicContact CB-CG2 4.43Å; N287-T388 PolarHBondContact OD1-OG1 2.82Å; S386-T388 PolarHBondContact O-N 3.04Å; S386-T388 VanDerWaalsContact O-N 3.08Å; T388-N476 HydrophobicContact CG2-CB 4.49Å; T388-N476 PolarHBondContact OG1-ND2 3.38Å
389	N	95.6	Very high	96.6	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.016	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-144.8	61.5	-171.9	-75.5	112.9	0	0	0	111.1	K247 T284 G385 D394 S474 P496	K247-N389 WeakPolarHBondContact CD-OD1 3.38Å; K247-N389 PolarHBondContact NZ-OD1 3.34Å; T284-N389 WeakPolarHBondContact CG2-ND2 3.38Å; T284-N389 PolarHBondContact OG1-ND2 3.43Å; G385-N389 VanDerWaalsContact CA-O 3.22Å; G385-N389 WeakPolarHBondContact CA-O 3.17Å; G385-N389 PolarHBondContact N-O 3.44Å; N389-D394 VanDerWaalsContact CA-OD2 3.32Å; N389-D394 WeakPolarHBondContact CA-OD2 3.34Å; N389-D394 PolarHBondContact ND2-OD1 3.43Å; N389-S474 PolarHBondContact OD1-O 3.44Å; N389-P496 HydrophobicContact CB-CG 4.04Å
390	S	95.3	Very high	96.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	4%	0.044	C	C	.	.			trans	-131.1	23	177.7	61	0	0	0	0	114	S386 D394 T419 G421 I425	S386-S390 WeakPolarHBondContact O-CB 3.44Å; S386-S390 PolarHBondContact O-N 3.03Å; S386-S390 PolarHBondContact O-OG 3.3Å; S390-D394 PolarHBondContact N-OD2 3.06Å; S390-T419 WeakPolarHBondContact CB-O 3.39Å; S390-G421 WeakPolarHBondContact OG-CA 3.45Å; S390-G421 PolarHBondContact OG-N 3.06Å; S390-I425 WeakPolarHBondContact O-CG2 3.34Å
391	S	97.4	Very high	96.6	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.028	3%	0.033	C	C	.	.	S	Bend	trans	-70.9	170.9	174.7	70.2	0	0	0	0	112.2	E393 D394 M395	S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact O-N 2.94Å; S391-D394 WeakPolarHBondContact CB-OD2 3.23Å; S391-D394 PolarHBondContact N-OD2 3.33Å; S391-D394 PolarHBondContact O-N 2.92Å; S391-D394 VanDerWaalsContact OG-CG 3.25Å; S391-D394 PolarHBondContact OG-N 3.02Å; S391-D394 PolarHBondContact OG-OD2 3.4Å; S391-M395 WeakPolarHBondContact O-CG 3.31Å; S391-M395 PolarHBondContact O-N 2.86Å; S391-M395 VanDerWaalsContact O-N 3.07Å
392	Y	98.3	Very high	96.7	Very high	6 Å²	6	6.1 Å²	6.1	2%	0.024	3%	0.033	C	C	.	.	H	α-helix	trans	-58.9	-40.8	173	-176	-94.8	0	0	0	112	M395 G396 T428 I429 D432 Y434 D533 P536	Y392-M395 PolarHBondContact O-N 2.76Å; Y392-G396 PolarHBondContact O-N 2.65Å; Y392-T428 HydrophobicContact CD2-CG2 3.86Å; Y392-T428 HydrophobicContact CE2-CG2 3.76Å; Y392-I429 HydrophobicContact CD2-CG2 3.83Å; Y392-I429 HydrophobicContact CE2-CG2 4.31Å; Y392-D432 HydrophobicContact CE2-CB 4.36Å; Y392-D432 VanDerWaalsContact CE2-OD2 3.28Å; Y392-D432 WeakPolarHBondContact CE2-OD2 3.31Å; Y392-D432 PolarHBondContact OH-OD2 3.41Å; Y392-Y434 HydrophobicContact CD1-CE2 4.4Å; Y392-Y434 HydrophobicContact CD2-CE2 4.16Å; Y392-Y434 AromaticContact CE1-CE2 3.84Å; Y392-Y434 HydrophobicContact CE1-CE2 3.84Å; Y392-Y434 HydrophobicContact CE2-CD2 4.15Å; Y392-Y434 AromaticContact CE2-CE2 3.55Å; Y392-Y434 HydrophobicContact CE2-CE2 3.55Å; Y392-Y434 AromaticContact CZ-CE2 3.38Å; Y392-Y434 AromaticContact CZ-CZ 3.85Å; Y392-Y434 PolarHBondContact OH-OH 2.77Å; Y392-D533 WeakPolarHBondContact CD1-O 3.48Å; Y392-D533 HydrophobicContact CE1-CB 4.08Å; Y392-P536 HydrophobicContact CD2-CB 4.48Å; Y392-P536 HydrophobicContact CE1-CB 4.15Å; Y392-P536 HydrophobicContact CE2-CB 4.01Å
393	E	98.2	Very high	96.7	Very high	31 Å²	31	11.5 Å²	11.5	15%	0.145	6%	0.056	C	C	.	.	H	α-helix	trans	-61.1	-47.8	176.1	-175.3	-176.6	-176.1	0	0	111.8	S278 T280 S391 M395 G396 R397	S278-E393 WeakPolarHBondContact CB-OE2 3.01Å; S278-E393 PolarHBondContact OG-OE2 3.46Å; T280-E393 PolarHBondContact OG1-OE2 3.32Å; S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact O-N 2.94Å; E393-M395 VanDerWaalsContact C-N 3.33Å; E393-M395 PolarHBondContact O-N 3.46Å; E393-G396 PolarHBondContact O-N 2.72Å; E393-R397 WeakPolarHBondContact O-CG 2.76Å; E393-R397 PolarHBondContact O-N 2.77Å
394	D	98.2	Very high	96.7	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.064	6%	0.064	C	C	.	.	H	α-helix	trans	-57.4	-47.2	177.7	-68.8	-63.5	0	0	0	111.1	N389 S390 S391 R397 A398 P496	N389-D394 VanDerWaalsContact CA-OD2 3.32Å; N389-D394 WeakPolarHBondContact CA-OD2 3.34Å; N389-D394 PolarHBondContact ND2-OD1 3.43Å; S390-D394 PolarHBondContact N-OD2 3.06Å; S391-D394 WeakPolarHBondContact CB-OD2 3.23Å; S391-D394 PolarHBondContact N-OD2 3.33Å; S391-D394 PolarHBondContact O-N 2.92Å; S391-D394 VanDerWaalsContact OG-CG 3.25Å; S391-D394 PolarHBondContact OG-N 3.02Å; S391-D394 PolarHBondContact OG-OD2 3.4Å; D394-R397 PolarHBondContact O-N 3.21Å; D394-A398 PolarHBondContact O-N 3.08Å; D394-A398 VanDerWaalsContact O-N 3.09Å; D394-P496 HydrophobicContact CB-CG 3.84Å
395	M	98.3	Very high	96.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-38.1	-179.9	-65.7	-61.1	176.5	0	0	112	I384 S391 Y392 E393 A399 V418 T419 I429 L438	I384-M395 HydrophobicContact CD1-SD 4.26Å; S391-M395 WeakPolarHBondContact O-CG 3.31Å; S391-M395 PolarHBondContact O-N 2.86Å; S391-M395 VanDerWaalsContact O-N 3.07Å; Y392-M395 PolarHBondContact O-N 2.76Å; E393-M395 VanDerWaalsContact C-N 3.33Å; E393-M395 PolarHBondContact O-N 3.46Å; M395-A399 WeakPolarHBondContact O-CB 3.33Å; M395-A399 PolarHBondContact O-N 3.48Å; M395-V418 HydrophobicContact CE-CG1 3.8Å; M395-V418 HydrophobicContact SD-CG1 3.65Å; M395-T419 WeakPolarHBondContact CE-O 3.49Å; M395-I429 HydrophobicContact CB-CD1 4.4Å; M395-I429 HydrophobicContact CB-CG2 4Å; M395-I429 HydrophobicContact CG-CD1 3.99Å; M395-I429 HydrophobicContact CG-CG2 4.3Å; M395-I429 HydrophobicContact SD-CD1 4.36Å; M395-L438 HydrophobicContact SD-CD1 4.27Å
396	G	98.3	Very high	96.8	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-63.4	-45.9	175.5	0	0	0	0	0	112.3	Y392 E393 A398 A399 S400	Y392-G396 PolarHBondContact O-N 2.65Å; E393-G396 PolarHBondContact O-N 2.72Å; G396-A398 PolarHBondContact O-N 2.95Å; G396-A399 PolarHBondContact O-N 3.45Å; G396-S400 PolarHBondContact O-N 3.34Å
397	R	98.5	Very high	97.1	Very high	32 Å²	32	21 Å²	21	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-44	177.5	-70.9	177.2	68.2	79.3	-3.6	111.9	G242 E393 D394 S400 E497 P530	G242-R397 PolarHBondContact O-NH2 3.32Å; E393-R397 WeakPolarHBondContact O-CG 2.76Å; E393-R397 PolarHBondContact O-N 2.77Å; D394-R397 PolarHBondContact O-N 3.21Å; R397-S400 PolarHBondContact O-N 3.12Å; R397-E497 IonicContact CZ-OE1 3.16Å; R397-E497 IonicContact NE-OE1 2.68Å; R397-E497 PolarHBondContact NE-OE1 3.2Å; R397-E497 IonicContact NH2-OE1 2.72Å; R397-E497 PolarHBondContact NH2-OE1 3.47Å; R397-P530 HydrophobicContact CB-CB 4.09Å; R397-P530 PolarHBondContact NH1-O 3.49Å; R397-P530 VanDerWaalsContact NH1-O 3.12Å; R397-P530 WeakPolarHBondContact O-CB 3.45Å
398	A	98.4	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-44.4	173.9	0	0	0	0	0	112.2	I384 D394 G396 S400 L401 A402 L438 T500	I384-A398 HydrophobicContact CD1-CB 3.68Å; D394-A398 PolarHBondContact O-N 3.08Å; D394-A398 VanDerWaalsContact O-N 3.09Å; G396-A398 PolarHBondContact O-N 2.95Å; A398-S400 VanDerWaalsContact C-N 3.31Å; A398-S400 PolarHBondContact O-N 3.36Å; A398-L401 PolarHBondContact O-N 2.83Å; A398-A402 PolarHBondContact O-N 3.16Å; A398-L438 HydrophobicContact CB-CD2 4.08Å; A398-T500 WeakPolarHBondContact CB-OG1 3.31Å
399	A	98.5	Very high	97.8	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-34.5	179.2	0	0	0	0	0	112.4	M395 G396 L401 A402 K403 Y434 I437 L438	M395-A399 WeakPolarHBondContact O-CB 3.33Å; M395-A399 PolarHBondContact O-N 3.48Å; G396-A399 PolarHBondContact O-N 3.45Å; A399-L401 PolarHBondContact O-N 3.41Å; A399-A402 PolarHBondContact O-N 2.95Å; A399-K403 WeakPolarHBondContact O-CB 3.47Å; A399-K403 PolarHBondContact O-N 3.17Å; A399-Y434 HydrophobicContact CB-CD1 4.02Å; A399-Y434 HydrophobicContact CB-CG 4.04Å; A399-I437 HydrophobicContact CB-CG2 4.3Å; A399-I437 WeakPolarHBondContact O-CG2 3.48Å; A399-L438 HydrophobicContact CB-CD2 4.42Å; A399-L438 HydrophobicContact CB-CG 4.29Å
400	S	98.4	Very high	97.8	Very high	22 Å²	22	26.9 Å²	26.9	15%	0.154	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-44.3	175.1	-179.9	0	0	0	0	111.9	G396 R397 A398 K403 Q404 T531	G396-S400 PolarHBondContact O-N 3.34Å; R397-S400 PolarHBondContact O-N 3.12Å; A398-S400 VanDerWaalsContact C-N 3.31Å; A398-S400 PolarHBondContact O-N 3.36Å; S400-K403 PolarHBondContact O-N 2.98Å; S400-Q404 WeakPolarHBondContact O-CG 3.18Å; S400-Q404 PolarHBondContact O-N 3.45Å; S400-Q404 VanDerWaalsContact O-N 3.08Å; S400-T531 WeakPolarHBondContact CB-O 3.35Å; S400-T531 PolarHBondContact OG-N 3.2Å; S400-T531 PolarHBondContact OG-OG1 3.32Å; S400-T531 VanDerWaalsContact OG-OG1 3.11Å
401	L	98.5	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.9	-42	176.2	-60.5	179.8	0	0	0	112.8	W243 A398 A399 K403 Q404 A405 E497 T500 A501 E528 P530	W243-L401 HydrophobicContact CH2-CD1 3.82Å; W243-L401 HydrophobicContact CH2-CD2 3.55Å; W243-L401 HydrophobicContact CH2-CG 4.35Å; W243-L401 HydrophobicContact CZ2-CD2 4.31Å; W243-L401 HydrophobicContact CZ3-CD1 3.53Å; W243-L401 HydrophobicContact CZ3-CD2 4.07Å; W243-L401 HydrophobicContact CZ3-CG 4.46Å; A398-L401 PolarHBondContact O-N 2.83Å; A399-L401 PolarHBondContact O-N 3.41Å; L401-K403 PolarHBondContact O-N 2.9Å; L401-Q404 PolarHBondContact O-N 3.38Å; L401-A405 PolarHBondContact O-N 3.01Å; L401-E497 HydrophobicContact CD1-CB 3.8Å; L401-E497 WeakPolarHBondContact CD1-O 3.46Å; L401-T500 HydrophobicContact CB-CG2 4.22Å; L401-A501 HydrophobicContact CD1-CB 4.41Å; L401-E528 WeakPolarHBondContact CD2-O 3.34Å; L401-P530 HydrophobicContact CD1-CB 4.26Å; L401-P530 HydrophobicContact CD1-CG 4.5Å; L401-P530 HydrophobicContact CD2-CB 3.96Å; L401-P530 HydrophobicContact CG-CB 3.9Å
402	A	98.4	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-39.3	175.4	0	0	0	0	0	111.1	A398 A399 A405 L406 I437 L438 V441	A398-A402 PolarHBondContact O-N 3.16Å; A399-A402 PolarHBondContact O-N 2.95Å; A402-A405 PolarHBondContact O-N 2.97Å; A402-L406 WeakPolarHBondContact O-CB 3.27Å; A402-L406 VanDerWaalsContact O-CG 3.27Å; A402-L406 WeakPolarHBondContact O-CG 3.23Å; A402-L406 PolarHBondContact O-N 3.25Å; A402-I437 HydrophobicContact CB-CG2 3.81Å; A402-L438 HydrophobicContact CB-CD2 4.15Å; A402-V441 HydrophobicContact CB-CB 4.18Å; A402-V441 HydrophobicContact CB-CG1 3.78Å; A402-V441 HydrophobicContact CB-CG2 4.47Å
403	K	98.4	Very high	97.9	Very high	113 Å²	113	40.9 Å²	40.9	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-47.8	174.8	-173.8	179.8	177.3	-174.9	0	112.2	A399 S400 L401 A405 L406 D407 I437	A399-K403 WeakPolarHBondContact O-CB 3.47Å; A399-K403 PolarHBondContact O-N 3.17Å; S400-K403 PolarHBondContact O-N 2.98Å; L401-K403 PolarHBondContact O-N 2.9Å; K403-A405 PolarHBondContact O-N 2.76Å; K403-L406 PolarHBondContact O-N 2.92Å; K403-L406 VanDerWaalsContact O-N 3.1Å; K403-D407 VanDerWaalsContact O-CG 3.28Å; K403-D407 PolarHBondContact O-N 2.7Å; K403-I437 HydrophobicContact CB-CG2 4.06Å
404	Q	98.3	Very high	97.9	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-40.5	176.2	-68.3	173.2	33.4	0	0	111.9	S400 L401 L527 E528	S400-Q404 WeakPolarHBondContact O-CG 3.18Å; S400-Q404 PolarHBondContact O-N 3.45Å; S400-Q404 VanDerWaalsContact O-N 3.08Å; L401-Q404 PolarHBondContact O-N 3.38Å; Q404-L527 HydrophobicContact CB-CD2 4.21Å; Q404-E528 PolarHBondContact NE2-O 3.01Å
405	A	97.8	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-45.2	175.7	0	0	0	0	0	112.4	L401 A402 K403 D407 K408 G409 L410 V441 L504	L401-A405 PolarHBondContact O-N 3.01Å; A402-A405 PolarHBondContact O-N 2.97Å; K403-A405 PolarHBondContact O-N 2.76Å; A405-D407 PolarHBondContact O-N 3.27Å; A405-K408 CarbonylContact O-C 3.57Å; A405-K408 WeakPolarHBondContact O-CA 3.4Å; A405-K408 PolarHBondContact O-N 2.93Å; A405-K408 VanDerWaalsContact O-N 3.09Å; A405-G409 PolarHBondContact O-N 2.87Å; A405-L410 CarbonylContact C-O 3.48Å; A405-L410 HydrophobicContact CB-CB 4.22Å; A405-L410 HydrophobicContact CB-CD2 3.98Å; A405-L410 WeakPolarHBondContact O-CB 3.46Å; A405-L410 PolarHBondContact O-N 3.43Å; A405-V441 HydrophobicContact CB-CG2 4.42Å; A405-L504 HydrophobicContact CB-CD1 3.88Å; A405-L504 HydrophobicContact CB-CD2 3.65Å; A405-L504 HydrophobicContact CB-CG 4.41Å
406	L	97.9	Very high	97.8	Very high	45 Å²	45	44 Å²	44	24%	0.236	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-37.9	178.8	-74.5	172	0	0	0	113.1	A402 K403 K408 G409 I437 D440 V441	A402-L406 WeakPolarHBondContact O-CB 3.27Å; A402-L406 VanDerWaalsContact O-CG 3.27Å; A402-L406 WeakPolarHBondContact O-CG 3.23Å; A402-L406 PolarHBondContact O-N 3.25Å; K403-L406 PolarHBondContact O-N 2.92Å; K403-L406 VanDerWaalsContact O-N 3.1Å; L406-K408 PolarHBondContact O-N 3.12Å; L406-K408 VanDerWaalsContact O-N 3.15Å; L406-G409 WeakPolarHBondContact O-CA 3.34Å; L406-G409 PolarHBondContact O-N 3.49Å; L406-I437 HydrophobicContact CD1-CG2 4.16Å; L406-D440 HydrophobicContact CD1-CB 3.64Å; L406-D440 HydrophobicContact CD2-CB 4.17Å; L406-V441 HydrophobicContact CD1-CB 4.25Å; L406-V441 HydrophobicContact CD2-CB 4.18Å; L406-V441 HydrophobicContact CD2-CG2 4.36Å; L406-V441 HydrophobicContact CG-CB 4.1Å; L406-V441 HydrophobicContact CG-CG2 4.25Å
407	D	97.5	Very high	97.7	Very high	119 Å²	119	44.5 Å²	44.5	64%	0.636	23%	0.226	S	C	*	.	H	α-helix	trans	-61.6	-22	175.1	-69.6	-17.6	0	0	0	111.7	K403 A405	K403-D407 VanDerWaalsContact O-CG 3.28Å; K403-D407 PolarHBondContact O-N 2.7Å; A405-D407 PolarHBondContact O-N 3.27Å
408	K	96.9	Very high	97.7	Very high	75 Å²	75	43 Å²	43	33%	0.326	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	8	172.7	-61.7	-65	-175.8	172.6	0	113.5	A405 L406 L410 A519 P520 E523 F525	A405-K408 CarbonylContact O-C 3.57Å; A405-K408 WeakPolarHBondContact O-CA 3.4Å; A405-K408 PolarHBondContact O-N 2.93Å; A405-K408 VanDerWaalsContact O-N 3.09Å; L406-K408 PolarHBondContact O-N 3.12Å; L406-K408 VanDerWaalsContact O-N 3.15Å; K408-L410 VanDerWaalsContact C-N 3.27Å; K408-L410 PolarHBondContact O-N 3.27Å; K408-A519 HydrophobicContact CB-CB 4.2Å; K408-A519 WeakPolarHBondContact O-CB 3.23Å; K408-P520 WeakPolarHBondContact O-CD 3.37Å; K408-E523 VanDerWaalsContact NZ-CD 3.31Å; K408-E523 IonicContact NZ-OE1 3.61Å; K408-E523 PolarHBondContact NZ-OE1 3.27Å; K408-E523 IonicContact NZ-OE2 3.14Å; K408-E523 PolarHBondContact NZ-OE2 2.94Å; K408-E523 VanDerWaalsContact NZ-OE2 3.14Å; K408-F525 HydrophobicContact CB-CD1 4.17Å; K408-F525 HydrophobicContact CB-CE1 3.81Å; K408-F525 HydrophobicContact CB-CE2 4.44Å; K408-F525 HydrophobicContact CB-CZ 3.96Å; K408-F525 HydrophobicContact CG-CD1 4Å; K408-F525 HydrophobicContact CG-CD2 4.05Å; K408-F525 HydrophobicContact CG-CE1 4.06Å; K408-F525 HydrophobicContact CG-CE2 4.1Å; K408-F525 HydrophobicContact CG-CG 4Å; K408-F525 HydrophobicContact CG-CZ 4.11Å
409	G	96.4	Very high	97.7	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	13	179.9	0	0	0	0	0	115	A405 L406 P520	A405-G409 PolarHBondContact O-N 2.87Å; L406-G409 WeakPolarHBondContact O-CA 3.34Å; L406-G409 PolarHBondContact O-N 3.49Å; G409-P520 WeakPolarHBondContact O-CG 3.35Å
410	L	96.8	Very high	97.6	Very high	12 Å²	12	43 Å²	43	6%	0.063	22%	0.22	C	C	.	.			trans	-89.5	143.1	-177.7	-168.3	137.8	0	0	0	111.2	A405 K408 L504 L517 M518 F525	A405-L410 CarbonylContact C-O 3.48Å; A405-L410 HydrophobicContact CB-CB 4.22Å; A405-L410 HydrophobicContact CB-CD2 3.98Å; A405-L410 WeakPolarHBondContact O-CB 3.46Å; A405-L410 PolarHBondContact O-N 3.43Å; K408-L410 VanDerWaalsContact C-N 3.27Å; K408-L410 PolarHBondContact O-N 3.27Å; L410-L504 HydrophobicContact CD2-CB 4.04Å; L410-L504 HydrophobicContact CD2-CD2 3.63Å; L410-L504 HydrophobicContact CD2-CG 4.39Å; L410-L517 HydrophobicContact CD1-CB 4.36Å; L410-M518 WeakPolarHBondContact CD1-O 3.45Å; L410-F525 HydrophobicContact CD1-CE1 4.25Å; L410-F525 HydrophobicContact CD1-CZ 4.39Å
411	K	97.4	Very high	97.5	Very high	131 Å²	131	41.9 Å²	41.9	57%	0.57	21%	0.212	S	C	*	.			trans	-122	165.3	173.8	-65.9	-167.5	177	-163.9	0	110.4	K413 D440 V441	K411-K413 PolarHBondContact O-N 2.56Å; K411-D440 WeakPolarHBondContact CE-O 3.39Å; K411-D440 PolarHBondContact NZ-O 3.47Å; K411-V441 WeakPolarHBondContact CB-O 3.17Å
412	C	97.8	Very high	97.5	Very high	23 Å²	23	42 Å²	42	16%	0.155	21%	0.213	C	C	.	.			trans	-57.4	132.8	176.1	-69.1	0	0	0	0	111.2	A414 F416 V441	C412-A414 VanDerWaalsContact CB-O 3.31Å; C412-A414 WeakPolarHBondContact CB-O 3.47Å; C412-F416 HydrophobicContact CB-CB 4.2Å; C412-V441 PolarHBondContact N-O 3.21Å
413	K	97.3	Very high	97.4	Very high	150 Å²	150	42.5 Å²	42.5	65%	0.652	22%	0.215	S	C	*	.	S	Bend	trans	-83.2	-36.3	171.5	-71.8	-176.1	-173.7	175	0	111.4	K411 A503 L504 A505	K411-K413 PolarHBondContact O-N 2.56Å; K413-A503 PolarHBondContact N-O 2.95Å; K413-L504 WeakPolarHBondContact CG-O 3.38Å; K413-A505 WeakPolarHBondContact CD-O 3.31Å
414	A	97.1	Very high	97.4	Very high	9 Å²	9	38.1 Å²	38.1	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-79.8	157.8	168.6	0	0	0	0	0	110.2	V379 C412 A503	V379-A414 HydrophobicContact CB-CB 4.42Å; V379-A414 HydrophobicContact CG1-CB 4.01Å; V379-A414 WeakPolarHBondContact O-CB 3.34Å; C412-A414 VanDerWaalsContact CB-O 3.31Å; C412-A414 WeakPolarHBondContact CB-O 3.47Å; A414-A503 HydrophobicContact CB-CB 4.17Å; A414-A503 PolarHBondContact N-O 3.12Å
415	Q	96.8	Very high	97.4	Very high	99 Å²	99	36.6 Å²	36.6	46%	0.463	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	145.1	163.6	-62.9	-178.3	19.1	0	0	109.3	K380 V381 G382 D462	K380-Q415 PolarHBondContact O-N 3.34Å; V381-Q415 CarbonylContact C-O 3.46Å; V381-Q415 VanDerWaalsContact CA-O 3.31Å; V381-Q415 WeakPolarHBondContact CA-O 3.37Å; V381-Q415 HydrophobicContact CB-CB 4.4Å; V381-Q415 HydrophobicContact CG1-CB 4.04Å; V381-Q415 HydrophobicContact CG2-CB 4.13Å; G382-Q415 PolarHBondContact N-O 3.13Å; Q415-D462 VanDerWaalsContact NE2-CB 3.32Å
416	F	97.8	Very high	97.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.5	-174.6	-171	-127.9	0	0	0	110.7	G382 I384 C412 V418 L438 V441 G443 V444 V499 T500 A503	G382-F416 WeakPolarHBondContact O-CA 3.34Å; G382-F416 WeakPolarHBondContact O-CD2 3.43Å; I384-F416 HydrophobicContact CD1-CE1 4.42Å; I384-F416 HydrophobicContact CD1-CE2 4.42Å; I384-F416 HydrophobicContact CD1-CZ 3.68Å; I384-F416 HydrophobicContact CG1-CE2 4.1Å; I384-F416 HydrophobicContact CG1-CZ 3.8Å; I384-F416 HydrophobicContact CG2-CE2 3.86Å; I384-F416 HydrophobicContact CG2-CZ 4.13Å; C412-F416 HydrophobicContact CB-CB 4.2Å; F416-V418 HydrophobicContact CD1-CG2 4.35Å; F416-V418 HydrophobicContact CE1-CG2 3.93Å; F416-V418 HydrophobicContact CZ-CG2 4.33Å; F416-L438 HydrophobicContact CE1-CD2 4.04Å; F416-L438 HydrophobicContact CZ-CD2 4.5Å; F416-V441 HydrophobicContact CD1-CG1 4.4Å; F416-G443 CarbonylContact O-C 3.55Å; F416-G443 VanDerWaalsContact O-CA 3.31Å; F416-G443 WeakPolarHBondContact O-CA 3.41Å; F416-V444 PolarHBondContact O-N 2.97Å; F416-V499 HydrophobicContact CE2-CG1 4.29Å; F416-T500 HydrophobicContact CZ-CG2 4.14Å; F416-T500 WeakPolarHBondContact CZ-OG1 3.48Å; F416-A503 HydrophobicContact CD2-CB 3.87Å; F416-A503 HydrophobicContact CE2-CB 4.39Å; F416-A503 HydrophobicContact CG-CB 4.48Å
417	T	97.3	Very high	97.4	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.086	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147	177.9	64.4	0	0	0	0	111.4	G382 L383 I384 V444 L446	G382-T417 PolarHBondContact O-N 3.08Å; L383-T417 WeakPolarHBondContact CD2-OG1 3.44Å; L383-T417 VanDerWaalsContact CG-OG1 3.3Å; L383-T417 WeakPolarHBondContact CG-OG1 3.38Å; I384-T417 PolarHBondContact N-O 3.02Å; T417-V444 WeakPolarHBondContact CA-O 2.89Å; T417-L446 HydrophobicContact CG2-CD1 4.36Å
418	V	97.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.1	-176.1	-175.2	0	0	0	0	109.2	I384 M395 F416 L438 V444 V445 L446	I384-V418 HydrophobicContact CD1-CB 4.49Å; I384-V418 HydrophobicContact CD1-CG1 4.06Å; I384-V418 HydrophobicContact CD1-CG2 3.95Å; I384-V418 HydrophobicContact CG1-CB 4.15Å; I384-V418 HydrophobicContact CG1-CG1 4.05Å; I384-V418 HydrophobicContact CG1-CG2 3.81Å; I384-V418 WeakPolarHBondContact O-CA 3.05Å; M395-V418 HydrophobicContact CE-CG1 3.8Å; M395-V418 HydrophobicContact SD-CG1 3.65Å; F416-V418 HydrophobicContact CD1-CG2 4.35Å; F416-V418 HydrophobicContact CE1-CG2 3.93Å; F416-V418 HydrophobicContact CZ-CG2 4.33Å; V418-L438 HydrophobicContact CG1-CD1 4.03Å; V418-L438 HydrophobicContact CG2-CB 4.19Å; V418-L438 HydrophobicContact CG2-CD1 4.29Å; V418-V444 PolarHBondContact N-O 2.85Å; V418-V445 HydrophobicContact CB-CG2 4.47Å; V418-V445 CarbonylContact O-C 3.41Å; V418-V445 WeakPolarHBondContact O-CA 3.36Å; V418-L446 PolarHBondContact O-N 2.79Å
419	T	98	Very high	97.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	106.1	177.3	-65.6	0	0	0	0	110.5	I174 I384 G385 S386 S390 M395 A449	I174-T419 HydrophobicContact CD1-CG2 4.2Å; I384-T419 PolarHBondContact O-N 3.45Å; G385-T419 WeakPolarHBondContact CA-O 3.39Å; S386-T419 PolarHBondContact N-O 3.25Å; S390-T419 WeakPolarHBondContact CB-O 3.39Å; M395-T419 WeakPolarHBondContact CE-O 3.49Å; T419-A449 WeakPolarHBondContact CG2-O 3.45Å
420	P	97.3	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.			trans	-63.8	143.3	170.1	-15.7	29.7	0	0	0	111	I425 R426 I429 V445 N448	P420-I425 HydrophobicContact CB-CG2 4.41Å; P420-R426 HydrophobicContact CB-CB 3.83Å; P420-R426 HydrophobicContact CB-CG 4.39Å; P420-R426 HydrophobicContact CG-CB 4Å; P420-R426 HydrophobicContact CG-CG 3.99Å; P420-I429 HydrophobicContact CG-CD1 4.41Å; P420-V445 HydrophobicContact CG-CG1 4Å; P420-N448 WeakPolarHBondContact CB-OD1 3.26Å; P420-N448 WeakPolarHBondContact O-CA 3.34Å
421	G	95.6	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-75.2	-26.6	-178.1	0	0	0	0	0	113.5	G173 I174 Q177 S390	G173-G421 CarbonylContact C-O 3.48Å; G173-G421 VanDerWaalsContact CA-O 3.23Å; G173-G421 WeakPolarHBondContact CA-O 3.39Å; I174-G421 PolarHBondContact N-O 3.32Å; Q177-G421 WeakPolarHBondContact CB-O 2.95Å; S390-G421 WeakPolarHBondContact OG-CA 3.45Å; S390-G421 PolarHBondContact OG-N 3.06Å
422	S	98	Very high	97.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-150.5	164.3	180	70.3	0	0	0	0	111.7	E181 Q424 I425 R426	E181-S422 VanDerWaalsContact CD-OG 3.32Å; E181-S422 PolarHBondContact OE1-OG 3.09Å; E181-S422 WeakPolarHBondContact OE2-CB 3.46Å; E181-S422 PolarHBondContact OE2-OG 2.84Å; S422-Q424 PolarHBondContact O-N 3.09Å; S422-Q424 PolarHBondContact OG-N 2.88Å; S422-I425 PolarHBondContact O-N 3.2Å; S422-I425 WeakPolarHBondContact OG-CG1 3.06Å; S422-I425 PolarHBondContact OG-N 3.24Å; S422-R426 WeakPolarHBondContact O-CB 3.4Å; S422-R426 PolarHBondContact O-N 3.44Å
423	E	98	Very high	97.6	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-35.5	170.6	176.3	54.6	-161.6	0	0	111.5	S172 R426 A427 N448 Q544	S172-E423 WeakPolarHBondContact O-CB 3.32Å; S172-E423 PolarHBondContact O-N 3.08Å; E423-R426 PolarHBondContact O-N 3.06Å; E423-R426 IonicContact OE1-CZ 3.65Å; E423-R426 IonicContact OE1-NE 2.64Å; E423-R426 PolarHBondContact OE1-NE 3.18Å; E423-R426 IonicContact OE1-NH2 3.52Å; E423-R426 PolarHBondContact OE1-NH2 3.49Å; E423-R426 IonicContact OE2-CZ 3.52Å; E423-R426 IonicContact OE2-NE 3.44Å; E423-R426 PolarHBondContact OE2-NE 3.49Å; E423-R426 IonicContact OE2-NH2 3.74Å; E423-A427 VanDerWaalsContact O-CB 3.31Å; E423-A427 WeakPolarHBondContact O-CB 3.38Å; E423-A427 PolarHBondContact O-N 3.37Å; E423-N448 WeakPolarHBondContact CA-ND2 3.09Å; E423-N448 PolarHBondContact N-ND2 2.96Å; E423-N448 PolarHBondContact OE2-ND2 3.37Å; E423-N448 VanDerWaalsContact OE2-ND2 3.07Å; E423-Q544 HydrophobicContact CG-CB 4.26Å; E423-Q544 PolarHBondContact OE1-N 3.43Å; E423-Q544 VanDerWaalsContact OE1-N 3.15Å
424	Q	98.1	Very high	97.7	Very high	21 Å²	21	24.9 Å²	24.9	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-48	174.2	171.7	168.7	97.1	0	0	111.5	S422 T428 F540 D541	S422-Q424 PolarHBondContact O-N 3.09Å; S422-Q424 PolarHBondContact OG-N 2.88Å; Q424-T428 VanDerWaalsContact O-CB 3.27Å; Q424-T428 WeakPolarHBondContact O-CB 3.2Å; Q424-T428 PolarHBondContact O-N 2.68Å; Q424-T428 PolarHBondContact O-OG1 2.82Å; Q424-F540 HydrophobicContact CG-CB 3.79Å; Q424-F540 HydrophobicContact CG-CD1 3.94Å; Q424-F540 HydrophobicContact CG-CG 4.08Å; Q424-D541 VanDerWaalsContact CA-O 3.28Å; Q424-D541 WeakPolarHBondContact CA-O 3.3Å; Q424-D541 WeakPolarHBondContact CG-O 3.3Å; Q424-D541 VanDerWaalsContact O-O 3.12Å
425	I	98	Very high	97.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-49.3	175.5	-65.9	-57.9	0	0	0	110.1	E181 S390 P420 S422 A427 T428 I429 F540	E181-I425 WeakPolarHBondContact OE1-CG1 3.44Å; S390-I425 WeakPolarHBondContact O-CG2 3.34Å; P420-I425 HydrophobicContact CB-CG2 4.41Å; S422-I425 PolarHBondContact O-N 3.2Å; S422-I425 WeakPolarHBondContact OG-CG1 3.06Å; S422-I425 PolarHBondContact OG-N 3.24Å; I425-A427 PolarHBondContact O-N 2.71Å; I425-T428 PolarHBondContact O-N 2.99Å; I425-T428 VanDerWaalsContact O-N 3.16Å; I425-I429 HydrophobicContact CG2-CD1 4.43Å; I425-I429 HydrophobicContact CG2-CG2 3.97Å; I425-I429 VanDerWaalsContact O-CG1 3.31Å; I425-I429 WeakPolarHBondContact O-CG1 3.48Å; I425-I429 WeakPolarHBondContact O-CG2 3.37Å; I425-I429 PolarHBondContact O-N 2.85Å; I425-F540 HydrophobicContact CD1-CD1 4.46Å; I425-F540 HydrophobicContact CD1-CE1 3.76Å; I425-F540 HydrophobicContact CD1-CZ 4.5Å
426	R	97.9	Very high	97.7	Very high	60 Å²	60	26.6 Å²	26.6	23%	0.226	13%	0.128	C	C	.	.	H	α-helix	trans	-53.7	-51.8	-179.5	-171.7	-154.7	67.2	66.9	8.7	111.7	P420 S422 E423 T428 I429 E430 N448	P420-R426 HydrophobicContact CB-CB 3.83Å; P420-R426 HydrophobicContact CB-CG 4.39Å; P420-R426 HydrophobicContact CG-CB 4Å; P420-R426 HydrophobicContact CG-CG 3.99Å; S422-R426 WeakPolarHBondContact O-CB 3.4Å; S422-R426 PolarHBondContact O-N 3.44Å; E423-R426 PolarHBondContact O-N 3.06Å; E423-R426 IonicContact OE1-CZ 3.65Å; E423-R426 IonicContact OE1-NE 2.64Å; E423-R426 PolarHBondContact OE1-NE 3.18Å; E423-R426 IonicContact OE1-NH2 3.52Å; E423-R426 PolarHBondContact OE1-NH2 3.49Å; E423-R426 IonicContact OE2-CZ 3.52Å; E423-R426 IonicContact OE2-NE 3.44Å; E423-R426 PolarHBondContact OE2-NE 3.49Å; E423-R426 IonicContact OE2-NH2 3.74Å; R426-T428 VanDerWaalsContact C-N 3.34Å; R426-T428 PolarHBondContact O-N 3.25Å; R426-I429 WeakPolarHBondContact O-CG1 3.21Å; R426-E430 IonicContact CZ-OE2 3.03Å; R426-E430 IonicContact NH1-OE2 3.84Å; R426-E430 PolarHBondContact NH1-OE2 3.39Å; R426-E430 IonicContact NH2-OE2 2.79Å; R426-E430 VanDerWaalsContact O-CB 3.26Å; R426-E430 WeakPolarHBondContact O-CB 3.33Å; R426-E430 PolarHBondContact O-N 3.03Å; R426-N448 WeakPolarHBondContact CB-OD1 3.37Å
427	A	98.2	Very high	97.7	Very high	7 Å²	7	28.3 Å²	28.3	6%	0.058	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-41.6	179.6	0	0	0	0	0	111.8	E423 I425 E430 R431 D541	E423-A427 VanDerWaalsContact O-CB 3.31Å; E423-A427 WeakPolarHBondContact O-CB 3.38Å; E423-A427 PolarHBondContact O-N 3.37Å; I425-A427 PolarHBondContact O-N 2.71Å; A427-E430 PolarHBondContact O-N 3.43Å; A427-R431 WeakPolarHBondContact O-CB 3.19Å; A427-R431 PolarHBondContact O-N 3.03Å; A427-D541 HydrophobicContact CB-CB 3.95Å
428	T	98.4	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-46.1	-179.3	-56.1	0	0	0	0	112.1	Y392 Q424 I425 R426 E430 R431 D432 P536 F540 D541	Y392-T428 HydrophobicContact CD2-CG2 3.86Å; Y392-T428 HydrophobicContact CE2-CG2 3.76Å; Q424-T428 VanDerWaalsContact O-CB 3.27Å; Q424-T428 WeakPolarHBondContact O-CB 3.2Å; Q424-T428 PolarHBondContact O-N 2.68Å; Q424-T428 PolarHBondContact O-OG1 2.82Å; I425-T428 PolarHBondContact O-N 2.99Å; I425-T428 VanDerWaalsContact O-N 3.16Å; R426-T428 VanDerWaalsContact C-N 3.34Å; R426-T428 PolarHBondContact O-N 3.25Å; T428-E430 VanDerWaalsContact C-N 3.31Å; T428-E430 PolarHBondContact O-N 2.87Å; T428-R431 PolarHBondContact O-N 3.47Å; T428-D432 WeakPolarHBondContact O-CB 3.29Å; T428-D432 PolarHBondContact O-N 3.13Å; T428-P536 HydrophobicContact CG2-CB 4.04Å; T428-P536 HydrophobicContact CG2-CG 4.14Å; T428-F540 HydrophobicContact CG2-CD1 3.85Å; T428-F540 HydrophobicContact CG2-CE1 4.31Å; T428-F540 WeakPolarHBondContact OG1-CD1 3.37Å; T428-D541 PolarHBondContact OG1-N 3.15Å; T428-D541 PolarHBondContact OG1-O 3.38Å
429	I	97.9	Very high	97.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-72.9	-24.6	179.9	70.1	172.8	0	0	0	112.7	Y392 M395 P420 I425 R426 G433 Y434 A435	Y392-I429 HydrophobicContact CD2-CG2 3.83Å; Y392-I429 HydrophobicContact CE2-CG2 4.31Å; M395-I429 HydrophobicContact CB-CD1 4.4Å; M395-I429 HydrophobicContact CB-CG2 4Å; M395-I429 HydrophobicContact CG-CD1 3.99Å; M395-I429 HydrophobicContact CG-CG2 4.3Å; M395-I429 HydrophobicContact SD-CD1 4.36Å; P420-I429 HydrophobicContact CG-CD1 4.41Å; I425-I429 HydrophobicContact CG2-CD1 4.43Å; I425-I429 HydrophobicContact CG2-CG2 3.97Å; I425-I429 VanDerWaalsContact O-CG1 3.31Å; I425-I429 WeakPolarHBondContact O-CG1 3.48Å; I425-I429 WeakPolarHBondContact O-CG2 3.37Å; I425-I429 PolarHBondContact O-N 2.85Å; R426-I429 WeakPolarHBondContact O-CG1 3.21Å; I429-G433 PolarHBondContact O-N 3.29Å; I429-Y434 HydrophobicContact CB-CD2 4.22Å; I429-Y434 HydrophobicContact CG2-CD2 4.04Å; I429-Y434 PolarHBondContact O-N 3.29Å; I429-A435 HydrophobicContact CG1-CB 4.26Å; I429-A435 PolarHBondContact O-N 2.84Å; I429-A435 VanDerWaalsContact O-N 3.08Å
430	E	97.5	Very high	97.8	Very high	114 Å²	114	33 Å²	33	53%	0.533	17%	0.166	S	C	.	.	H	α-helix	trans	-70.3	-49.1	170.8	-177.8	173.9	-143.4	0	0	110.5	R426 A427 T428 D432 G433 A435	R426-E430 IonicContact CZ-OE2 3.03Å; R426-E430 IonicContact NH1-OE2 3.84Å; R426-E430 PolarHBondContact NH1-OE2 3.39Å; R426-E430 IonicContact NH2-OE2 2.79Å; R426-E430 VanDerWaalsContact O-CB 3.26Å; R426-E430 WeakPolarHBondContact O-CB 3.33Å; R426-E430 PolarHBondContact O-N 3.03Å; A427-E430 PolarHBondContact O-N 3.43Å; T428-E430 VanDerWaalsContact C-N 3.31Å; T428-E430 PolarHBondContact O-N 2.87Å; E430-D432 VanDerWaalsContact C-N 3.32Å; E430-D432 PolarHBondContact O-N 3.37Å; E430-G433 PolarHBondContact O-N 3.48Å; E430-A435 HydrophobicContact CB-CB 4.28Å
431	R	97.8	Very high	97.8	Very high	71 Å²	71	33 Å²	33	27%	0.268	17%	0.166	S	C	.	.	H	α-helix	trans	-58.4	-42.6	176	-177.5	-161.2	70.8	-161.5	-1.8	112.5	A427 T428 G433 D539	A427-R431 WeakPolarHBondContact O-CB 3.19Å; A427-R431 PolarHBondContact O-N 3.03Å; T428-R431 PolarHBondContact O-N 3.47Å; R431-G433 VanDerWaalsContact C-N 3.28Å; R431-G433 PolarHBondContact O-N 2.64Å; R431-D539 PolarHBondContact NH1-O 3.34Å; R431-D539 PolarHBondContact NH2-O 2.94Å
432	D	97.8	Very high	97.8	Very high	43 Å²	43	35 Å²	35	23%	0.23	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.5	-176.9	-64.1	-9.5	0	0	0	112.8	Y392 T428 E430	Y392-D432 HydrophobicContact CE2-CB 4.36Å; Y392-D432 VanDerWaalsContact CE2-OD2 3.28Å; Y392-D432 WeakPolarHBondContact CE2-OD2 3.31Å; Y392-D432 PolarHBondContact OH-OD2 3.41Å; T428-D432 WeakPolarHBondContact O-CB 3.29Å; T428-D432 PolarHBondContact O-N 3.13Å; E430-D432 VanDerWaalsContact C-N 3.32Å; E430-D432 PolarHBondContact O-N 3.37Å
433	G	97.6	Very high	97.7	Very high	25 Å²	25	35.2 Å²	35.2	26%	0.258	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-4.6	169.4	0	0	0	0	0	116.2	I429 E430 R431 A435 K436 I437	I429-G433 PolarHBondContact O-N 3.29Å; E430-G433 PolarHBondContact O-N 3.48Å; R431-G433 VanDerWaalsContact C-N 3.28Å; R431-G433 PolarHBondContact O-N 2.64Å; G433-A435 PolarHBondContact O-N 2.87Å; G433-K436 PolarHBondContact O-N 2.93Å; G433-I437 WeakPolarHBondContact O-CG1 3.38Å; G433-I437 PolarHBondContact O-N 3.48Å
434	Y	98.2	Very high	97.7	Very high	37 Å²	37	37.6 Å²	37.6	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-40.9	178.6	-56.4	-21.7	0	0	0	112.1	Y392 A399 I429 K436 I437 L438	Y392-Y434 HydrophobicContact CD1-CE2 4.4Å; Y392-Y434 HydrophobicContact CD2-CE2 4.16Å; Y392-Y434 AromaticContact CE1-CE2 3.84Å; Y392-Y434 HydrophobicContact CE1-CE2 3.84Å; Y392-Y434 HydrophobicContact CE2-CD2 4.15Å; Y392-Y434 AromaticContact CE2-CE2 3.55Å; Y392-Y434 HydrophobicContact CE2-CE2 3.55Å; Y392-Y434 AromaticContact CZ-CE2 3.38Å; Y392-Y434 AromaticContact CZ-CZ 3.85Å; Y392-Y434 PolarHBondContact OH-OH 2.77Å; A399-Y434 HydrophobicContact CB-CD1 4.02Å; A399-Y434 HydrophobicContact CB-CG 4.04Å; I429-Y434 HydrophobicContact CB-CD2 4.22Å; I429-Y434 HydrophobicContact CG2-CD2 4.04Å; I429-Y434 PolarHBondContact O-N 3.29Å; Y434-K436 PolarHBondContact O-N 3.25Å; Y434-I437 PolarHBondContact O-N 3.05Å; Y434-L438 VanDerWaalsContact O-CG 3.32Å; Y434-L438 WeakPolarHBondContact O-CG 3.13Å; Y434-L438 PolarHBondContact O-N 3.42Å
435	A	96.9	Very high	97.6	Very high	14 Å²	14	38.4 Å²	38.4	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-38.2	178.5	0	0	0	0	0	112	I429 E430 G433 S439	I429-A435 HydrophobicContact CG1-CB 4.26Å; I429-A435 PolarHBondContact O-N 2.84Å; I429-A435 VanDerWaalsContact O-N 3.08Å; E430-A435 HydrophobicContact CB-CB 4.28Å; G433-A435 PolarHBondContact O-N 2.87Å; A435-S439 WeakPolarHBondContact O-CB 3.4Å; A435-S439 PolarHBondContact O-N 3.43Å; A435-S439 PolarHBondContact O-OG 3.34Å
436	K	97.9	Very high	97.5	Very high	130 Å²	130	38.9 Å²	38.9	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-67.1	-46.7	177.7	-169.1	-167.4	-178.9	-50.7	0	111	G433 Y434 L438 S439 D440	G433-K436 PolarHBondContact O-N 2.93Å; Y434-K436 PolarHBondContact O-N 3.25Å; K436-L438 VanDerWaalsContact C-N 3.33Å; K436-L438 PolarHBondContact O-N 3Å; K436-S439 PolarHBondContact O-N 3.11Å; K436-S439 VanDerWaalsContact O-N 3.14Å; K436-D440 IonicContact NZ-OD1 2.91Å; K436-D440 PolarHBondContact NZ-OD1 3.28Å; K436-D440 IonicContact NZ-OD2 2.62Å; K436-D440 PolarHBondContact NZ-OD2 3Å; K436-D440 WeakPolarHBondContact O-CB 3.49Å; K436-D440 PolarHBondContact O-N 3.4Å
437	I	98.4	Very high	97.3	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.195	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-47.2	177.9	-67.5	166.9	0	0	0	110.7	A399 A402 K403 L406 G433 Y434 S439 D440 V441	A399-I437 HydrophobicContact CB-CG2 4.3Å; A399-I437 WeakPolarHBondContact O-CG2 3.48Å; A402-I437 HydrophobicContact CB-CG2 3.81Å; K403-I437 HydrophobicContact CB-CG2 4.06Å; L406-I437 HydrophobicContact CD1-CG2 4.16Å; G433-I437 WeakPolarHBondContact O-CG1 3.38Å; G433-I437 PolarHBondContact O-N 3.48Å; Y434-I437 PolarHBondContact O-N 3.05Å; I437-S439 VanDerWaalsContact C-N 3.28Å; I437-S439 PolarHBondContact O-N 2.86Å; I437-D440 PolarHBondContact O-N 3.2Å; I437-V441 PolarHBondContact O-N 2.97Å
438	L	98.2	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-33	178.3	-66.1	169.2	0	0	0	112.1	I384 M395 A398 A399 A402 F416 V418 Y434 K436 V441 G443	I384-L438 HydrophobicContact CD1-CD1 4.48Å; I384-L438 HydrophobicContact CD1-CD2 4.37Å; M395-L438 HydrophobicContact SD-CD1 4.27Å; A398-L438 HydrophobicContact CB-CD2 4.08Å; A399-L438 HydrophobicContact CB-CD2 4.42Å; A399-L438 HydrophobicContact CB-CG 4.29Å; A402-L438 HydrophobicContact CB-CD2 4.15Å; F416-L438 HydrophobicContact CE1-CD2 4.04Å; F416-L438 HydrophobicContact CZ-CD2 4.5Å; V418-L438 HydrophobicContact CG1-CD1 4.03Å; V418-L438 HydrophobicContact CG2-CB 4.19Å; V418-L438 HydrophobicContact CG2-CD1 4.29Å; Y434-L438 VanDerWaalsContact O-CG 3.32Å; Y434-L438 WeakPolarHBondContact O-CG 3.13Å; Y434-L438 PolarHBondContact O-N 3.42Å; K436-L438 VanDerWaalsContact C-N 3.33Å; K436-L438 PolarHBondContact O-N 3Å; L438-V441 WeakPolarHBondContact O-CG1 3.44Å; L438-G443 WeakPolarHBondContact O-CA 3.44Å; L438-G443 PolarHBondContact O-N 2.82Å
439	S	97.4	Very high	97.1	Very high	51 Å²	51	36.6 Å²	36.6	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-73.5	-41.5	174.5	-56.9	0	0	0	0	112.5	A435 K436 I437 V441 G442 G443	A435-S439 WeakPolarHBondContact O-CB 3.4Å; A435-S439 PolarHBondContact O-N 3.43Å; A435-S439 PolarHBondContact O-OG 3.34Å; K436-S439 PolarHBondContact O-N 3.11Å; K436-S439 VanDerWaalsContact O-N 3.14Å; I437-S439 VanDerWaalsContact C-N 3.28Å; I437-S439 PolarHBondContact O-N 2.86Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 3.13Å; S439-G442 WeakPolarHBondContact O-CA 3.35Å; S439-G442 PolarHBondContact O-N 2.79Å; S439-G443 WeakPolarHBondContact CA-O 3.36Å
440	D	98.3	Very high	97	Very high	64 Å²	64	36.8 Å²	36.8	34%	0.342	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-34.4	-178.2	-72.8	-18.7	0	0	0	111.9	L406 K411 K436 I437 G442	L406-D440 HydrophobicContact CD1-CB 3.64Å; L406-D440 HydrophobicContact CD2-CB 4.17Å; K411-D440 WeakPolarHBondContact CE-O 3.39Å; K411-D440 PolarHBondContact NZ-O 3.47Å; K436-D440 IonicContact NZ-OD1 2.91Å; K436-D440 PolarHBondContact NZ-OD1 3.28Å; K436-D440 IonicContact NZ-OD2 2.62Å; K436-D440 PolarHBondContact NZ-OD2 3Å; K436-D440 WeakPolarHBondContact O-CB 3.49Å; K436-D440 PolarHBondContact O-N 3.4Å; I437-D440 PolarHBondContact O-N 3.2Å; D440-G442 PolarHBondContact O-N 3.29Å
441	V	97.6	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.7	176	82.4	0	0	0	0	113.4	A402 A405 L406 K411 C412 F416 I437 L438 S439 L504	A402-V441 HydrophobicContact CB-CB 4.18Å; A402-V441 HydrophobicContact CB-CG1 3.78Å; A402-V441 HydrophobicContact CB-CG2 4.47Å; A405-V441 HydrophobicContact CB-CG2 4.42Å; L406-V441 HydrophobicContact CD1-CB 4.25Å; L406-V441 HydrophobicContact CD2-CB 4.18Å; L406-V441 HydrophobicContact CD2-CG2 4.36Å; L406-V441 HydrophobicContact CG-CB 4.1Å; L406-V441 HydrophobicContact CG-CG2 4.25Å; K411-V441 WeakPolarHBondContact CB-O 3.17Å; C412-V441 PolarHBondContact N-O 3.21Å; F416-V441 HydrophobicContact CD1-CG1 4.4Å; I437-V441 PolarHBondContact O-N 2.97Å; L438-V441 WeakPolarHBondContact O-CG1 3.44Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 3.13Å; V441-L504 HydrophobicContact CG2-CD2 3.55Å
442	G	96.2	Very high	96.7	Very high	41 Å²	41	28.2 Å²	28.2	42%	0.423	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.9	12	177.6	0	0	0	0	0	114.7	S439 D440	S439-G442 WeakPolarHBondContact O-CA 3.35Å; S439-G442 PolarHBondContact O-N 2.79Å; D440-G442 PolarHBondContact O-N 3.29Å
443	G	96.6	Very high	96.5	Very high	8 Å²	8	26.5 Å²	26.5	8%	0.082	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	145.3	175.3	0	0	0	0	0	113.3	F416 L438 S439	F416-G443 CarbonylContact O-C 3.55Å; F416-G443 VanDerWaalsContact O-CA 3.31Å; F416-G443 WeakPolarHBondContact O-CA 3.41Å; L438-G443 WeakPolarHBondContact O-CA 3.44Å; L438-G443 PolarHBondContact O-N 2.82Å; S439-G443 WeakPolarHBondContact CA-O 3.36Å
444	V	96.2	Very high	96.2	Very high	61 Å²	61	25.8 Å²	25.8	37%	0.37	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.6	169.9	-178.4	0	0	0	0	109	F416 T417 V418 L446	F416-V444 PolarHBondContact O-N 2.97Å; T417-V444 WeakPolarHBondContact CA-O 2.89Å; V418-V444 PolarHBondContact N-O 2.85Å; V444-L446 HydrophobicContact CG1-CD2 4.2Å; V444-L446 PolarHBondContact O-N 3.01Å
445	V	96	Very high	95.9	Very high	38 Å²	38	24.6 Å²	24.6	23%	0.23	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.3	174	-174.4	0	0	0	0	109.2	G138 V418 P420	G138-V445 PolarHBondContact N-O 3.18Å; V418-V445 HydrophobicContact CB-CG2 4.47Å; V418-V445 CarbonylContact O-C 3.41Å; V418-V445 WeakPolarHBondContact O-CA 3.36Å; P420-V445 HydrophobicContact CG-CG1 4Å
446	L	96.1	Very high	95.7	Very high	12 Å²	12	25 Å²	25	6%	0.063	15%	0.152	C	C	.	.			trans	-82.9	172.5	177.8	-59.3	-178	0	0	0	110.9	A134 T417 V418 V444 P452	A134-L446 HydrophobicContact CB-CD1 3.94Å; A134-L446 HydrophobicContact CB-CD2 4.06Å; T417-L446 HydrophobicContact CG2-CD1 4.36Å; V418-L446 PolarHBondContact O-N 2.79Å; V444-L446 HydrophobicContact CG1-CD2 4.2Å; V444-L446 PolarHBondContact O-N 3.01Å; L446-P452 HydrophobicContact CD1-CG 3.99Å
447	A	95.1	Very high	95.4	Very high	11 Å²	11	20.3 Å²	20.3	9%	0.091	13%	0.131	C	C	.	.			trans	-65.2	156	174.4	0	0	0	0	0	110.9	I132 G138 A449	I132-A447 HydrophobicContact CG2-CB 3.79Å; G138-A447 VanDerWaalsContact CA-N 3.33Å; A447-A449 HydrophobicContact CB-CB 4.44Å; A447-A449 PolarHBondContact O-N 2.89Å
448	N	96.1	Very high	94.5	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.037	13%	0.13	C	C	.	.	S	Bend	trans	-73.4	71	176.9	-41.6	-38.7	0	0	0	110.2	G171 G173 P420 E423 R426	G171-N448 PolarHBondContact O-ND2 3.4Å; G173-N448 CarbonylContact C-O 3.49Å; G173-N448 WeakPolarHBondContact CA-O 3.46Å; G173-N448 PolarHBondContact N-O 3.21Å; P420-N448 WeakPolarHBondContact CB-OD1 3.26Å; P420-N448 WeakPolarHBondContact O-CA 3.34Å; E423-N448 WeakPolarHBondContact CA-ND2 3.09Å; E423-N448 PolarHBondContact N-ND2 2.96Å; E423-N448 PolarHBondContact OE2-ND2 3.37Å; E423-N448 VanDerWaalsContact OE2-ND2 3.07Å; R426-N448 WeakPolarHBondContact CB-OD1 3.37Å
449	A	96	Very high	92.9	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	16%	0.159	C	C	.	.	S	Bend	trans	-153	165.7	-168.8	0	0	0	0	0	111	D129 I132 T419 A447 G451	D129-A449 WeakPolarHBondContact O-CB 3.39Å; I132-A449 HydrophobicContact CB-CB 3.71Å; I132-A449 HydrophobicContact CD1-CB 3.71Å; I132-A449 HydrophobicContact CG1-CB 4.23Å; I132-A449 HydrophobicContact CG2-CB 4.16Å; T419-A449 WeakPolarHBondContact CG2-O 3.45Å; A447-A449 HydrophobicContact CB-CB 4.44Å; A447-A449 PolarHBondContact O-N 2.89Å; A449-G451 PolarHBondContact O-N 3.02Å
450	C	94.6	Very high	91.7	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.041	14%	0.144	C	C	.	.			trans	-61.9	-41.7	-179	-71.8	0	0	0	0	113	D129 H130 C453 I454	D129-C450 PolarHBondContact O-N 3.32Å; H130-C450 VanDerWaalsContact CE1-SG 3.54Å; C450-C453 VanDerWaalsContact O-CB 3.23Å; C450-C453 WeakPolarHBondContact O-CB 3.47Å; C450-C453 PolarHBondContact O-N 3.33Å; C450-C453 VanDerWaalsContact O-N 3.09Å; C450-I454 HydrophobicContact CB-CG1 3.62Å; C450-I454 HydrophobicContact CB-CG2 4.11Å
451	G	94.3	Very high	90.6	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	47.8	-123.4	174.9	0	0	0	0	0	114	A449 C453 I454 Q456	A449-G451 PolarHBondContact O-N 3.02Å; G451-C453 PolarHBondContact O-N 2.97Å; G451-I454 PolarHBondContact O-N 3.22Å; G451-Q456 CarbonylContact C-O 3.42Å; G451-Q456 VanDerWaalsContact C-O 3.25Å; G451-Q456 WeakPolarHBondContact CA-O 3.39Å; G451-Q456 PolarHBondContact O-N 3.48Å; G451-Q456 VanDerWaalsContact O-N 3.07Å
452	P	94.6	Very high	89.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.6	-178.2	-24.2	34.1	0	0	0	115.9	A134 L383 L446 I454 W457 F475 N483	A134-P452 HydrophobicContact CB-CG 4.08Å; L383-P452 HydrophobicContact CD2-CB 3.55Å; L383-P452 HydrophobicContact CD2-CG 3.85Å; L446-P452 HydrophobicContact CD1-CG 3.99Å; P452-I454 PolarHBondContact O-N 3.09Å; P452-W457 HydrophobicContact CB-CB 4.09Å; P452-W457 HydrophobicContact CB-CD2 4.12Å; P452-W457 HydrophobicContact CB-CE3 3.99Å; P452-W457 HydrophobicContact CB-CG 4.2Å; P452-W457 HydrophobicContact CG-CB 4.05Å; P452-W457 HydrophobicContact CG-CD2 4.13Å; P452-W457 HydrophobicContact CG-CE3 4.49Å; P452-W457 HydrophobicContact CG-CG 3.95Å; P452-F475 HydrophobicContact CB-CE2 4.19Å; P452-F475 HydrophobicContact CB-CZ 4.41Å; P452-N483 WeakPolarHBondContact O-CA 3.5Å; P452-N483 PolarHBondContact O-ND2 3.47Å
453	C	94.6	Very high	89.5	Confident	7 Å²	7	30.4 Å²	30.4	5%	0.047	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.5	178.8	-175.4	0	0	0	0	112.7	S386 C450 G451 F475 R482	S386-C453 WeakPolarHBondContact OG-CB 3.48Å; S386-C453 PolarHBondContact OG-SG 3.07Å; C450-C453 VanDerWaalsContact O-CB 3.23Å; C450-C453 WeakPolarHBondContact O-CB 3.47Å; C450-C453 PolarHBondContact O-N 3.33Å; C450-C453 VanDerWaalsContact O-N 3.09Å; G451-C453 PolarHBondContact O-N 2.97Å; C453-F475 HydrophobicContact CB-CD1 4.49Å; C453-F475 HydrophobicContact CB-CD2 3.94Å; C453-F475 HydrophobicContact CB-CE2 4.01Å; C453-F475 HydrophobicContact CB-CG 4.19Å; C453-F475 HydrophobicContact CB-CZ 4.33Å; C453-R482 PolarHBondContact O-NE 3.26Å
454	I	90.9	Very high	89.2	Confident	10 Å²	10	38 Å²	38	5%	0.051	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-119.3	9.6	-175	63.7	72.5	0	0	0	113	C450 G451 P452 Q456 L607	C450-I454 HydrophobicContact CB-CG1 3.62Å; C450-I454 HydrophobicContact CB-CG2 4.11Å; G451-I454 PolarHBondContact O-N 3.22Å; P452-I454 PolarHBondContact O-N 3.09Å; I454-Q456 HydrophobicContact CD1-CB 3.56Å; I454-Q456 HydrophobicContact CD1-CG 3.17Å; I454-L607 HydrophobicContact CD1-CD1 3.46Å; I454-L607 VanDerWaalsContact CD1-CD1 3.46Å
455	G	91.6	Very high	88.7	Confident	13 Å²	13	43.8 Å²	43.8	13%	0.134	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	12.9	180	0	0	0	0	0	114.9	W457 R482 N483	G455-W457 PolarHBondContact O-N 3.33Å; G455-W457 VanDerWaalsContact O-N 3.14Å; G455-R482 VanDerWaalsContact CA-O 3.25Å; G455-R482 WeakPolarHBondContact CA-O 3.5Å; G455-R482 PolarHBondContact N-O 3.28Å; G455-N483 WeakPolarHBondContact CA-O 3.25Å
456	Q	92.6	Very high	88.4	Confident	22 Å²	22	44.4 Å²	44.4	10%	0.103	23%	0.227	C	C	.	.			trans	-89	65.2	172	-77.2	-78.9	-48.7	0	0	108.6	H130 E133 A134 G451 I454 G604 L607	H130-Q456 WeakPolarHBondContact O-CG 3.21Å; E133-Q456 WeakPolarHBondContact CA-O 3.39Å; E133-Q456 HydrophobicContact CB-CB 4.33Å; A134-Q456 PolarHBondContact N-O 3.26Å; G451-Q456 CarbonylContact C-O 3.42Å; G451-Q456 VanDerWaalsContact C-O 3.25Å; G451-Q456 WeakPolarHBondContact CA-O 3.39Å; G451-Q456 PolarHBondContact O-N 3.48Å; G451-Q456 VanDerWaalsContact O-N 3.07Å; I454-Q456 HydrophobicContact CD1-CB 3.56Å; I454-Q456 HydrophobicContact CD1-CG 3.17Å; Q456-G604 PolarHBondContact NE2-O 2.74Å; Q456-L607 HydrophobicContact CG-CD1 3.62Å
457	W	92.1	Very high	88.2	Confident	31 Å²	31	47.6 Å²	47.6	12%	0.117	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-134.3	120.4	177	-173.6	15.3	0	0	0	106	V381 L383 P452 G455 S459 R460 D484	V381-W457 HydrophobicContact CB-CH2 4.13Å; V381-W457 HydrophobicContact CG1-CH2 3.96Å; V381-W457 HydrophobicContact CG1-CZ2 4.25Å; V381-W457 HydrophobicContact CG2-CH2 3.91Å; V381-W457 HydrophobicContact CG2-CZ2 4.35Å; L383-W457 HydrophobicContact CD1-CH2 4.47Å; L383-W457 HydrophobicContact CD2-CH2 4.23Å; L383-W457 HydrophobicContact CD2-CZ3 4.18Å; P452-W457 HydrophobicContact CB-CB 4.09Å; P452-W457 HydrophobicContact CB-CD2 4.12Å; P452-W457 HydrophobicContact CB-CE3 3.99Å; P452-W457 HydrophobicContact CB-CG 4.2Å; P452-W457 HydrophobicContact CG-CB 4.05Å; P452-W457 HydrophobicContact CG-CD2 4.13Å; P452-W457 HydrophobicContact CG-CE3 4.49Å; P452-W457 HydrophobicContact CG-CG 3.95Å; G455-W457 PolarHBondContact O-N 3.33Å; G455-W457 VanDerWaalsContact O-N 3.14Å; W457-S459 PolarHBondContact O-N 3.5Å; W457-R460 HydrophobicContact CD2-CG 4.16Å; W457-R460 HydrophobicContact CE3-CG 4.1Å; W457-R460 HydrophobicContact CH2-CG 3.56Å; W457-R460 HydrophobicContact CZ2-CG 3.57Å; W457-R460 HydrophobicContact CZ3-CG 3.82Å; W457-D484 HydrophobicContact CE3-CB 4.16Å; W457-D484 HydrophobicContact CZ3-CB 4.41Å
458	D	80.3	Confident	88.2	Confident	34 Å²	34	54 Å²	54	18%	0.182	27%	0.267	C	S	.	.			trans	-51.9	129.8	174.8	-179.8	14.7	0	0	0	107.7	E133 A134 Q135 R460 R461	E133-D458 HydrophobicContact CG-CB 4.48Å; A134-D458 PolarHBondContact O-N 2.93Å; Q135-D458 HydrophobicContact CB-CB 4.09Å; Q135-D458 HydrophobicContact CG-CB 3.92Å; Q135-D458 WeakPolarHBondContact CG-OD2 3.49Å; Q135-D458 PolarHBondContact NE2-OD2 3.38Å; D458-R460 PolarHBondContact O-N 3.17Å; D458-R461 IonicContact OD2-NH2 2.75Å
459	S	63.2	Low	88.3	Confident	86 Å²	86	53.8 Å²	53.8	60%	0.601	27%	0.266	S	S	*	.			trans	-41.4	115.2	-176	52.2	0	0	0	0	109.8	W457 R461	W457-S459 PolarHBondContact O-N 3.5Å; S459-R461 PolarHBondContact O-N 3.15Å; S459-R461 VanDerWaalsContact O-N 3.15Å
460	R	73.1	Confident	88.4	Confident	16 Å²	16	53.7 Å²	53.7	6%	0.06	27%	0.265	C	S	.	.			trans	-41.7	119.6	-175.9	-83.2	-176.9	63.9	-168.1	-8.3	111.6	W457 D458 D462 V463 N469 I471 D484	W457-R460 HydrophobicContact CD2-CG 4.16Å; W457-R460 HydrophobicContact CE3-CG 4.1Å; W457-R460 HydrophobicContact CH2-CG 3.56Å; W457-R460 HydrophobicContact CZ2-CG 3.57Å; W457-R460 HydrophobicContact CZ3-CG 3.82Å; D458-R460 PolarHBondContact O-N 3.17Å; R460-D462 VanDerWaalsContact CB-OD1 3.26Å; R460-D462 WeakPolarHBondContact CB-OD1 3.27Å; R460-D462 IonicContact CZ-OD1 3.12Å; R460-D462 IonicContact CZ-OD2 3.63Å; R460-D462 IonicContact NE-OD1 2.76Å; R460-D462 PolarHBondContact NE-OD1 2.94Å; R460-D462 IonicContact NE-OD2 3.64Å; R460-D462 PolarHBondContact NE-OD2 2.78Å; R460-D462 IonicContact NH2-OD1 3.72Å; R460-D462 IonicContact NH2-OD2 3.81Å; R460-D462 PolarHBondContact NH2-OD2 3.25Å; R460-D462 PolarHBondContact O-N 3.26Å; R460-V463 HydrophobicContact CB-CG2 3.73Å; R460-V463 VanDerWaalsContact CZ-CG2 3.44Å; R460-N469 PolarHBondContact NH1-ND2 3.16Å; R460-I471 VanDerWaalsContact NH1-CG2 3.29Å; R460-D484 HydrophobicContact CG-CB 4.42Å; R460-D484 IonicContact NH1-OD2 3.88Å
461	R	74.9	Confident	88.6	Confident	209 Å²	209	53.4 Å²	53.4	79%	0.789	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.1	177.6	-62.8	-174.4	-175.4	-176.5	2.9	112.8	D458 S459	D458-R461 IonicContact OD2-NH2 2.75Å; S459-R461 PolarHBondContact O-N 3.15Å; S459-R461 VanDerWaalsContact O-N 3.15Å
462	D	83.6	Confident	88.8	Confident	48 Å²	48	53.2 Å²	53.2	26%	0.257	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12	-176.1	68.4	-56.2	0	0	0	114.1	Q415 R460	Q415-D462 VanDerWaalsContact NE2-CB 3.32Å; R460-D462 VanDerWaalsContact CB-OD1 3.26Å; R460-D462 WeakPolarHBondContact CB-OD1 3.27Å; R460-D462 IonicContact CZ-OD1 3.12Å; R460-D462 IonicContact CZ-OD2 3.63Å; R460-D462 IonicContact NE-OD1 2.76Å; R460-D462 PolarHBondContact NE-OD1 2.94Å; R460-D462 IonicContact NE-OD2 3.64Å; R460-D462 PolarHBondContact NE-OD2 2.78Å; R460-D462 IonicContact NH2-OD1 3.72Å; R460-D462 IonicContact NH2-OD2 3.81Å; R460-D462 PolarHBondContact NH2-OD2 3.25Å; R460-D462 PolarHBondContact O-N 3.26Å
463	V	88.1	Confident	89	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.085	26%	0.261	C	S	.	.	S	Bend	trans	-136.3	145.5	174.8	-68.4	0	0	0	0	111.4	R460 E467 N469	R460-V463 HydrophobicContact CB-CG2 3.73Å; R460-V463 VanDerWaalsContact CZ-CG2 3.44Å; V463-E467 HydrophobicContact CB-CB 4.4Å; V463-N469 HydrophobicContact CG1-CB 3.96Å
464	K	89	Confident	89.2	Confident	168 Å²	168	52.9 Å²	52.9	73%	0.73	26%	0.259	S	S	*	.			trans	-79.3	147.9	172.9	-65.8	178.2	-176.3	175.3	0	109.9	G466 E467	K464-G466 PolarHBondContact O-N 3.27Å; K464-E467 PolarHBondContact N-OE2 2.87Å; K464-E467 WeakPolarHBondContact O-CB 3.25Å; K464-E467 PolarHBondContact O-N 3.16Å
465	K	86.8	Confident	89.5	Confident	181 Å²	181	52.5 Å²	52.5	79%	0.787	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	128.5	174.3	-171.3	170.1	-175.6	173.2	0	110.3
466	G	88.3	Confident	89.5	Confident	51 Å²	51	52 Å²	52	53%	0.526	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-7.3	-175	0	0	0	0	0	114.7	K464 N486 A488	K464-G466 PolarHBondContact O-N 3.27Å; G466-N486 VanDerWaalsContact CA-OD1 3.3Å; G466-N486 WeakPolarHBondContact CA-OD1 3.38Å; G466-N486 PolarHBondContact N-OD1 3.24Å; G466-A488 WeakPolarHBondContact O-CB 3.2Å
467	E	92.6	Very high	89.5	Confident	79 Å²	79	51.1 Å²	51.1	37%	0.369	25%	0.247	S	C	.	.			trans	-70.2	137.3	174.5	-170.6	176.8	159.5	0	0	110.8	V463 K464 N469 N486 A488	V463-E467 HydrophobicContact CB-CB 4.4Å; K464-E467 PolarHBondContact N-OE2 2.87Å; K464-E467 WeakPolarHBondContact O-CB 3.25Å; K464-E467 PolarHBondContact O-N 3.16Å; E467-N469 PolarHBondContact O-OD1 3.05Å; E467-N486 PolarHBondContact O-ND2 2.78Å; E467-A488 VanDerWaalsContact O-CB 3.24Å; E467-A488 WeakPolarHBondContact O-CB 3.47Å
468	K	95.8	Very high	89.6	Confident	147 Å²	147	49.7 Å²	49.7	64%	0.639	24%	0.241	S	C	*	.			trans	-77.6	122.1	174.2	-71.2	-175.8	179.2	-176.2	0	109.5	P376 A488	P376-K468 HydrophobicContact CG-CB 4.13Å; K468-A488 HydrophobicContact CG-CB 4.11Å
469	N	96.9	Very high	90.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.7	177.2	60.5	-99.6	0	0	0	111	K380 R460 V463 E467 N486 T489 H490	K380-N469 HydrophobicContact CG-CB 4.03Å; R460-N469 PolarHBondContact NH1-ND2 3.16Å; V463-N469 HydrophobicContact CG1-CB 3.96Å; E467-N469 PolarHBondContact O-OD1 3.05Å; N469-N486 PolarHBondContact OD1-ND2 2.76Å; N469-T489 WeakPolarHBondContact ND2-CG2 3.4Å; N469-T489 PolarHBondContact ND2-OG1 3.25Å; N469-T489 PolarHBondContact OD1-OG1 3.32Å; N469-T489 VanDerWaalsContact OD1-OG1 3.11Å; N469-H490 PolarHBondContact O-N 3.04Å
470	T	98.3	Very high	91.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.8	174.1	-75.5	0	0	0	0	111	P376 E378 V379 K380 V472 H490 F492 L508	P376-T470 WeakPolarHBondContact O-CB 3.25Å; P376-T470 PolarHBondContact O-OG1 2.74Å; E378-T470 WeakPolarHBondContact O-CB 3.41Å; V379-T470 HydrophobicContact CG2-CG2 4.3Å; K380-T470 PolarHBondContact N-O 3.32Å; T470-V472 HydrophobicContact CG2-CG2 4.3Å; T470-H490 WeakPolarHBondContact CA-O 3.47Å; T470-F492 HydrophobicContact CG2-CD2 3.97Å; T470-F492 HydrophobicContact CG2-CE2 4.06Å; T470-L508 HydrophobicContact CG2-CD1 3.74Å; T470-L508 HydrophobicContact CG2-CD2 4.07Å; T470-L508 HydrophobicContact CG2-CG 3.88Å
471	I	98.3	Very high	92	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.3	165.5	64.6	176.3	0	0	0	109.4	V381 L383 R460 T473 N483 T489 H490 A491 F492	V381-I471 HydrophobicContact CB-CG2 4.09Å; V381-I471 HydrophobicContact CG2-CG2 4.38Å; V381-I471 WeakPolarHBondContact O-CA 3.35Å; L383-I471 HydrophobicContact CD1-CB 4.27Å; R460-I471 VanDerWaalsContact NH1-CG2 3.29Å; I471-T473 HydrophobicContact CD1-CG2 4.26Å; I471-T473 HydrophobicContact CG1-CG2 4.43Å; I471-N483 HydrophobicContact CD1-CB 3.86Å; I471-T489 HydrophobicContact CD1-CG2 3.73Å; I471-T489 HydrophobicContact CG1-CG2 3.77Å; I471-T489 HydrophobicContact CG2-CG2 4.34Å; I471-H490 PolarHBondContact N-O 2.66Å; I471-A491 HydrophobicContact CD1-CB 4Å; I471-A491 HydrophobicContact CG1-CB 3.76Å; I471-F492 PolarHBondContact O-N 3Å
472	V	98.7	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129	175.2	-168	0	0	0	0	108.2	I351 V379 V381 G382 L383 T470 F492 T494 V499 L502 L508	I351-V472 HydrophobicContact CD1-CG1 4.03Å; V379-V472 HydrophobicContact CG1-CG2 3.95Å; V379-V472 HydrophobicContact CG2-CG2 3.88Å; V381-V472 PolarHBondContact O-N 3.34Å; G382-V472 CarbonylContact C-O 3.52Å; G382-V472 VanDerWaalsContact CA-O 3.31Å; G382-V472 WeakPolarHBondContact CA-O 3.26Å; L383-V472 PolarHBondContact N-O 3.18Å; T470-V472 HydrophobicContact CG2-CG2 4.3Å; V472-F492 CarbonylContact C-O 3.39Å; V472-F492 WeakPolarHBondContact CA-O 3.33Å; V472-F492 HydrophobicContact CG1-CB 4.35Å; V472-F492 HydrophobicContact CG2-CB 4.48Å; V472-T494 HydrophobicContact CG1-CG2 3.59Å; V472-V499 HydrophobicContact CG1-CG2 4.08Å; V472-L502 HydrophobicContact CG1-CD1 4.09Å; V472-L502 HydrophobicContact CG2-CD1 4.35Å; V472-L508 HydrophobicContact CG2-CD2 3.64Å
473	T	98.7	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.1	-171.5	69.2	0	0	0	0	111	L383 I471 F475 F492 V493 T494 V499	L383-T473 HydrophobicContact CB-CG2 4.14Å; L383-T473 HydrophobicContact CD1-CG2 3.85Å; L383-T473 HydrophobicContact CG-CG2 4.49Å; L383-T473 CarbonylContact O-C 3.25Å; L383-T473 VanDerWaalsContact O-CA 3.22Å; L383-T473 WeakPolarHBondContact O-CA 3.44Å; I471-T473 HydrophobicContact CD1-CG2 4.26Å; I471-T473 HydrophobicContact CG1-CG2 4.43Å; T473-F475 HydrophobicContact CG2-CD2 3.86Å; T473-F475 HydrophobicContact CG2-CE2 4.02Å; T473-F492 PolarHBondContact N-O 3.49Å; T473-F492 PolarHBondContact OG1-O 2.79Å; T473-V493 CarbonylContact O-C 3.48Å; T473-V493 VanDerWaalsContact O-CA 3.31Å; T473-V493 WeakPolarHBondContact O-CA 3.28Å; T473-V493 WeakPolarHBondContact OG1-CG1 3.21Å; T473-T494 PolarHBondContact O-N 3.07Å; T473-V499 VanDerWaalsContact C-CG2 3.43Å
474	S	98.4	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-91.1	19.1	167.8	75	0	0	0	0	112.8	K247 L383 I384 G385 N389 T494	K247-S474 PolarHBondContact NZ-O 3.14Å; L383-S474 PolarHBondContact O-N 2.92Å; I384-S474 VanDerWaalsContact CA-OG 3.3Å; I384-S474 WeakPolarHBondContact CA-OG 3.43Å; G385-S474 PolarHBondContact N-OG 2.82Å; G385-S474 PolarHBondContact O-OG 3Å; N389-S474 PolarHBondContact OD1-O 3.44Å; S474-T494 VanDerWaalsContact CA-O 3.3Å; S474-T494 WeakPolarHBondContact CA-O 3.38Å
475	F	97.2	Very high	93.4	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.176	C	C	.	.	S	Bend	trans	-81.5	-162.6	-179.7	-52.8	-22.5	0	0	0	110.8	K247 L383 S386 P452 C453 T473	K247-F475 WeakPolarHBondContact CE-O 3.36Å; K247-F475 PolarHBondContact NZ-O 2.99Å; L383-F475 HydrophobicContact CB-CE2 4.26Å; L383-F475 HydrophobicContact CB-CZ 3.86Å; L383-F475 HydrophobicContact CD2-CE2 4.31Å; L383-F475 HydrophobicContact CD2-CZ 4.27Å; S386-F475 VanDerWaalsContact CB-CE1 3.41Å; P452-F475 HydrophobicContact CB-CE2 4.19Å; P452-F475 HydrophobicContact CB-CZ 4.41Å; C453-F475 HydrophobicContact CB-CD1 4.49Å; C453-F475 HydrophobicContact CB-CD2 3.94Å; C453-F475 HydrophobicContact CB-CE2 4.01Å; C453-F475 HydrophobicContact CB-CG 4.19Å; C453-F475 HydrophobicContact CB-CZ 4.33Å; T473-F475 HydrophobicContact CG2-CD2 3.86Å; T473-F475 HydrophobicContact CG2-CE2 4.02Å
476	N	93.3	Very high	93.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	14%	0.14	C	C	.	.	S	Bend	trans	-115.4	-32.7	-178	47.7	30.4	0	0	0	113.1	H196 N287 M288 T388	H196-N476 PolarHBondContact CD2-ND2 2.79Å; H196-N476 PolarHBondContact CE1-ND2 3.23Å; H196-N476 VanDerWaalsContact CE1-ND2 3.34Å; H196-N476 PolarHBondContact NE2-ND2 3.5Å; N287-N476 PolarHBondContact OD1-ND2 3.24Å; M288-N476 HydrophobicContact CB-CB 4.26Å; M288-N476 WeakPolarHBondContact CE-O 3.01Å; M288-N476 HydrophobicContact CG-CB 3.98Å; M288-N476 HydrophobicContact SD-CB 4.27Å; T388-N476 HydrophobicContact CG2-CB 4.49Å; T388-N476 PolarHBondContact OG1-ND2 3.38Å
477	R	91.9	Very high	93.7	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.019	14%	0.139	C	C	.	.			trans	-114.7	137	-176.1	-66.6	-177.4	-176.5	-175.1	-1	113.2	S195 H196 E291 F479 G671 S672	S195-R477 PolarHBondContact OG-NH2 2.72Å; H196-R477 PolarHBondContact CE1-NE 3.05Å; E291-R477 HydrophobicContact CG-CG 4.12Å; E291-R477 WeakPolarHBondContact OE1-CG 3.24Å; E291-R477 IonicContact OE1-CZ 2.8Å; E291-R477 IonicContact OE1-NE 3.69Å; E291-R477 PolarHBondContact OE1-NE 3.43Å; E291-R477 IonicContact OE1-NH2 2.73Å; R477-F479 HydrophobicContact CG-CE2 4.46Å; R477-G671 PolarHBondContact NH1-O 2.9Å; R477-G671 VanDerWaalsContact NH2-C 3.3Å; R477-G671 PolarHBondContact NH2-O 3.4Å; R477-S672 VanDerWaalsContact NH1-CA 3.34Å
478	N	94.5	Very high	93.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.			trans	-133.2	31.8	178.1	60.3	-9.6	0	0	0	112.4	N352 G353 F355 T356 P357 A491 V493	N352-N478 PolarHBondContact O-ND2 3.4Å; G353-N478 WeakPolarHBondContact CA-ND2 3.41Å; F355-N478 CarbonylContact C-O 3.57Å; F355-N478 VanDerWaalsContact CA-O 3.31Å; F355-N478 WeakPolarHBondContact CA-O 3.34Å; T356-N478 WeakPolarHBondContact CA-OD1 3.17Å; T356-N478 PolarHBondContact N-OD1 3.25Å; T356-N478 PolarHBondContact O-ND2 3.29Å; T356-N478 PolarHBondContact O-OD1 3.32Å; P357-N478 VanDerWaalsContact N-OD1 3.11Å; N478-A491 HydrophobicContact CB-CB 3.71Å; N478-A491 WeakPolarHBondContact CB-O 3.45Å; N478-A491 PolarHBondContact ND2-O 3.36Å; N478-V493 HydrophobicContact CB-CG1 4.17Å
479	F	91	Very high	93.7	Very high	11 Å²	11	15.2 Å²	15.2	5%	0.048	10%	0.1	C	C	.	.			trans	-60.2	153.4	173.5	-59.7	-38.9	0	0	0	111.2	P357 R477 A481 R482 K594 T596 E670	P357-F479 HydrophobicContact CG-CE1 4.31Å; R477-F479 HydrophobicContact CG-CE2 4.46Å; F479-A481 PolarHBondContact O-N 2.8Å; F479-R482 HydrophobicContact CB-CB 4.46Å; F479-R482 WeakPolarHBondContact O-CB 3.36Å; F479-R482 PolarHBondContact O-N 2.71Å; F479-K594 VanDerWaalsContact CE1-NZ 3.27Å; F479-T596 HydrophobicContact CD2-CG2 4.33Å; F479-T596 HydrophobicContact CE2-CG2 4.28Å; F479-T596 HydrophobicContact CZ-CG2 4.49Å; F479-E670 VanDerWaalsContact CZ-OE1 3.24Å; F479-E670 WeakPolarHBondContact CZ-OE1 3.43Å
480	T	88.6	Confident	93.8	Very high	65 Å²	65	15.8 Å²	15.8	40%	0.399	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	130	178.5	-51.6	0	0	0	0	111.7	F355 R482 P487	F355-T480 WeakPolarHBondContact CD1-OG1 3.35Å; T480-R482 PolarHBondContact O-N 2.97Å; T480-R482 VanDerWaalsContact O-N 3.09Å; T480-P487 HydrophobicContact CG2-CB 3.85Å
481	A	88.1	Confident	93.8	Very high	33 Å²	33	16 Å²	16	27%	0.273	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	14.6	177.3	0	0	0	0	0	115.6	F479 A485 P487	F479-A481 PolarHBondContact O-N 2.8Å; A481-A485 VanDerWaalsContact O-CA 3.23Å; A481-A485 WeakPolarHBondContact O-CA 3.45Å; A481-A485 PolarHBondContact O-N 2.72Å; A481-A485 VanDerWaalsContact O-N 3.12Å; A481-P487 HydrophobicContact CB-CG 4.25Å
482	R	90.4	Very high	93.8	Very high	23 Å²	23	16 Å²	16	9%	0.087	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-44.8	-177.1	175.8	58.7	177.5	-174	-1.2	113.5	C453 G455 F479 T480 D598	C453-R482 PolarHBondContact O-NE 3.26Å; G455-R482 VanDerWaalsContact CA-O 3.25Å; G455-R482 WeakPolarHBondContact CA-O 3.5Å; G455-R482 PolarHBondContact N-O 3.28Å; F479-R482 HydrophobicContact CB-CB 4.46Å; F479-R482 WeakPolarHBondContact O-CB 3.36Å; F479-R482 PolarHBondContact O-N 2.71Å; T480-R482 PolarHBondContact O-N 2.97Å; T480-R482 VanDerWaalsContact O-N 3.09Å; R482-D598 IonicContact NH1-OD1 3.64Å; R482-D598 PolarHBondContact NH1-OD1 3.12Å; R482-D598 IonicContact NH1-OD2 3.39Å; R482-D598 PolarHBondContact NH1-OD2 3.47Å
483	N	93	Very high	93.8	Very high	3 Å²	3	16 Å²	16	2%	0.016	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-32.5	-168.3	-60	107.4	0	0	0	113.9	P452 G455 I471	P452-N483 WeakPolarHBondContact O-CA 3.5Å; P452-N483 PolarHBondContact O-ND2 3.47Å; G455-N483 WeakPolarHBondContact CA-O 3.25Å; I471-N483 HydrophobicContact CD1-CB 3.86Å
484	D	91.9	Very high	93.8	Very high	18 Å²	18	16 Å²	16	10%	0.096	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	8.6	-170.5	61.6	3.7	0	0	0	113.5	W457 R460 N486 T489	W457-D484 HydrophobicContact CE3-CB 4.16Å; W457-D484 HydrophobicContact CZ3-CB 4.41Å; R460-D484 HydrophobicContact CG-CB 4.42Å; R460-D484 IonicContact NH1-OD2 3.88Å; D484-N486 PolarHBondContact O-N 3.07Å; D484-N486 VanDerWaalsContact O-N 3.13Å; D484-N486 WeakPolarHBondContact OD1-CB 3.31Å; D484-N486 PolarHBondContact OD1-N 3.46Å; D484-T489 WeakPolarHBondContact OD2-CB 3.2Å; D484-T489 PolarHBondContact OD2-OG1 3Å
485	A	89.4	Confident	93.8	Very high	51 Å²	51	16 Å²	16	42%	0.421	10%	0.104	S	C	.	.	S	Bend	trans	57.7	18.9	-174	0	0	0	0	0	114.9	A481	A481-A485 VanDerWaalsContact O-CA 3.23Å; A481-A485 WeakPolarHBondContact O-CA 3.45Å; A481-A485 PolarHBondContact O-N 2.72Å; A481-A485 VanDerWaalsContact O-N 3.12Å
486	N	91	Very high	93.9	Very high	5 Å²	5	16 Å²	16	3%	0.027	10%	0.104	C	C	.	.			trans	-101.5	111.7	173.5	-178.2	18.1	0	0	0	110.8	G466 E467 N469 D484 A488 T489	G466-N486 VanDerWaalsContact CA-OD1 3.3Å; G466-N486 WeakPolarHBondContact CA-OD1 3.38Å; G466-N486 PolarHBondContact N-OD1 3.24Å; E467-N486 PolarHBondContact O-ND2 2.78Å; N469-N486 PolarHBondContact OD1-ND2 2.76Å; D484-N486 PolarHBondContact O-N 3.07Å; D484-N486 VanDerWaalsContact O-N 3.13Å; D484-N486 WeakPolarHBondContact OD1-CB 3.31Å; D484-N486 PolarHBondContact OD1-N 3.46Å; N486-A488 PolarHBondContact O-N 2.84Å; N486-A488 VanDerWaalsContact O-N 3.15Å; N486-A488 PolarHBondContact OD1-N 3.23Å; N486-T489 PolarHBondContact ND2-OG1 3.37Å; N486-T489 WeakPolarHBondContact O-CB 3.4Å; N486-T489 PolarHBondContact O-N 3.5Å; N486-T489 VanDerWaalsContact O-N 3.16Å
487	P	89.5	Confident	94.1	Very high	76 Å²	76	15.9 Å²	15.9	49%	0.494	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.5	178.6	-23.2	34	0	0	0	114.5	T480 A481	T480-P487 HydrophobicContact CG2-CB 3.85Å; A481-P487 HydrophobicContact CB-CG 4.25Å
488	A	93.6	Very high	94.4	Very high	18 Å²	18	15.7 Å²	15.7	15%	0.149	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.4	-179.5	0	0	0	0	0	113.6	G466 E467 K468 N486 H490	G466-A488 WeakPolarHBondContact O-CB 3.2Å; E467-A488 VanDerWaalsContact O-CB 3.24Å; E467-A488 WeakPolarHBondContact O-CB 3.47Å; K468-A488 HydrophobicContact CG-CB 4.11Å; N486-A488 PolarHBondContact O-N 2.84Å; N486-A488 VanDerWaalsContact O-N 3.15Å; N486-A488 PolarHBondContact OD1-N 3.23Å; A488-H490 PolarHBondContact O-CE1 2.76Å; A488-H490 PolarHBondContact O-N 2.81Å; A488-H490 PolarHBondContact O-ND1 2.89Å
489	T	95.9	Very high	94.6	Very high	6 Å²	6	15.7 Å²	15.7	4%	0.037	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.3	174.7	-73.4	0	0	0	0	110.4	F355 N469 I471 D484 N486	F355-T489 WeakPolarHBondContact CE1-O 3.47Å; N469-T489 WeakPolarHBondContact ND2-CG2 3.4Å; N469-T489 PolarHBondContact ND2-OG1 3.25Å; N469-T489 PolarHBondContact OD1-OG1 3.32Å; N469-T489 VanDerWaalsContact OD1-OG1 3.11Å; I471-T489 HydrophobicContact CD1-CG2 3.73Å; I471-T489 HydrophobicContact CG1-CG2 3.77Å; I471-T489 HydrophobicContact CG2-CG2 4.34Å; D484-T489 WeakPolarHBondContact OD2-CB 3.2Å; D484-T489 PolarHBondContact OD2-OG1 3Å; N486-T489 PolarHBondContact ND2-OG1 3.37Å; N486-T489 WeakPolarHBondContact O-CB 3.4Å; N486-T489 PolarHBondContact O-N 3.5Å; N486-T489 VanDerWaalsContact O-N 3.16Å
490	H	98.1	Very high	95	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.069	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.7	173.4	-67.7	53	0	0	0	108.2	P354 F355 W375 N469 T470 I471 A488 F492	P354-H490 HydrophobicContact CB-CB 3.66Å; P354-H490 HydrophobicContact CG-CB 4.49Å; F355-H490 AromaticContact CE2-NE2 3.87Å; F355-H490 AromaticContact CZ-CE1 3.73Å; F355-H490 AromaticContact CZ-ND1 3.82Å; F355-H490 AromaticContact CZ-NE2 3.89Å; W375-H490 AromaticContact CD1-CD2 3.41Å; W375-H490 VanDerWaalsContact CD1-CD2 3.41Å; W375-H490 AromaticContact CD1-NE2 3.55Å; W375-H490 AromaticContact CG-CD2 3.75Å; N469-H490 PolarHBondContact O-N 3.04Å; T470-H490 WeakPolarHBondContact CA-O 3.47Å; I471-H490 PolarHBondContact N-O 2.66Å; A488-H490 PolarHBondContact O-CE1 2.76Å; A488-H490 PolarHBondContact O-N 2.81Å; A488-H490 PolarHBondContact O-ND1 2.89Å; H490-F492 HydrophobicContact CB-CE2 4.16Å
491	A	98.1	Very high	95.5	Very high	3 Å²	3	12 Å²	12	3%	0.025	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.8	-176	0	0	0	0	0	110.6	P354 I471 N478	P354-A491 CarbonylContact C-O 3.57Å; P354-A491 VanDerWaalsContact CA-O 3.29Å; P354-A491 WeakPolarHBondContact CA-O 3.37Å; P354-A491 PolarHBondContact O-N 2.94Å; I471-A491 HydrophobicContact CD1-CB 4Å; I471-A491 HydrophobicContact CG1-CB 3.76Å; N478-A491 HydrophobicContact CB-CB 3.71Å; N478-A491 WeakPolarHBondContact CB-O 3.45Å; N478-A491 PolarHBondContact ND2-O 3.36Å
492	F	98.7	Very high	96	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.6	174.3	-64.3	-89.2	0	0	0	110.6	I351 N352 P354 I366 W375 T470 I471 V472 T473 H490 L508	I351-F492 HydrophobicContact CD1-CB 3.64Å; I351-F492 HydrophobicContact CD1-CD1 4.34Å; I351-F492 HydrophobicContact CD1-CG 4.12Å; I351-F492 HydrophobicContact CG1-CB 3.63Å; I351-F492 HydrophobicContact CG1-CD1 4.08Å; I351-F492 HydrophobicContact CG1-CG 4.19Å; N352-F492 CarbonylContact O-C 3.58Å; N352-F492 VanDerWaalsContact O-CA 3.3Å; N352-F492 WeakPolarHBondContact O-CA 3.38Å; P354-F492 HydrophobicContact CB-CE1 4.04Å; P354-F492 HydrophobicContact CB-CE2 4.01Å; P354-F492 HydrophobicContact CB-CZ 3.69Å; P354-F492 HydrophobicContact CG-CZ 4.27Å; I366-F492 HydrophobicContact CD1-CD1 4.21Å; I366-F492 HydrophobicContact CD1-CE1 3.74Å; I366-F492 HydrophobicContact CD1-CZ 4.43Å; I366-F492 HydrophobicContact CG1-CE1 4.44Å; W375-F492 HydrophobicContact CD2-CZ 4.17Å; W375-F492 AromaticContact CE3-CE1 3.99Å; W375-F492 HydrophobicContact CE3-CE1 3.99Å; W375-F492 AromaticContact CE3-CZ 3.6Å; W375-F492 HydrophobicContact CE3-CZ 3.6Å; W375-F492 AromaticContact CZ3-CE1 3.99Å; W375-F492 HydrophobicContact CZ3-CE1 3.99Å; W375-F492 HydrophobicContact CZ3-CZ 4.09Å; T470-F492 HydrophobicContact CG2-CD2 3.97Å; T470-F492 HydrophobicContact CG2-CE2 4.06Å; I471-F492 PolarHBondContact O-N 3Å; V472-F492 CarbonylContact C-O 3.39Å; V472-F492 WeakPolarHBondContact CA-O 3.33Å; V472-F492 HydrophobicContact CG1-CB 4.35Å; V472-F492 HydrophobicContact CG2-CB 4.48Å; T473-F492 PolarHBondContact N-O 3.49Å; T473-F492 PolarHBondContact OG1-O 2.79Å; H490-F492 HydrophobicContact CB-CE2 4.16Å; F492-L508 HydrophobicContact CD2-CD1 4.11Å; F492-L508 HydrophobicContact CD2-CD2 4.33Å; F492-L508 HydrophobicContact CE2-CD1 3.63Å; F492-L508 HydrophobicContact CZ-CD1 4.07Å
493	V	98.7	Very high	96.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.4	177.4	-68.6	0	0	0	0	110.1	L251 M288 I351 N352 T473 N478	L251-V493 HydrophobicContact CD2-CG2 4.01Å; M288-V493 HydrophobicContact CE-CG2 3.97Å; I351-V493 WeakPolarHBondContact CA-O 3.25Å; N352-V493 HydrophobicContact CB-CG2 3.92Å; N352-V493 PolarHBondContact N-O 2.77Å; N352-V493 PolarHBondContact O-N 3.22Å; T473-V493 CarbonylContact O-C 3.48Å; T473-V493 VanDerWaalsContact O-CA 3.31Å; T473-V493 WeakPolarHBondContact O-CA 3.28Å; T473-V493 WeakPolarHBondContact OG1-CG1 3.21Å; N478-V493 HydrophobicContact CB-CG1 4.17Å
494	T	98.8	Very high	96.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.063	C	C	.	.			trans	-151.6	-166.8	-179	-172.1	0	0	0	0	110.6	K247 H350 V472 T473 S474 I498 V499	K247-T494 PolarHBondContact NZ-O 3.42Å; H350-T494 WeakPolarHBondContact O-CB 3.08Å; H350-T494 PolarHBondContact O-OG1 3.39Å; V472-T494 HydrophobicContact CG1-CG2 3.59Å; T473-T494 PolarHBondContact O-N 3.07Å; S474-T494 VanDerWaalsContact CA-O 3.3Å; S474-T494 WeakPolarHBondContact CA-O 3.38Å; T494-I498 HydrophobicContact CG2-CB 3.92Å; T494-I498 HydrophobicContact CG2-CG2 3.72Å; T494-I498 WeakPolarHBondContact OG1-CG2 3.46Å; T494-V499 HydrophobicContact CG2-CG2 3.63Å
495	S	98.6	Very high	96.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.062	C	C	.	.			trans	-81.4	152.9	175.6	64.8	0	0	0	0	111.8	S245 E497 I498 V499	S245-S495 WeakPolarHBondContact OG-CB 3.09Å; S495-E497 VanDerWaalsContact C-N 3.27Å; S495-E497 WeakPolarHBondContact CB-OE2 3.37Å; S495-E497 PolarHBondContact O-N 3.25Å; S495-E497 WeakPolarHBondContact OG-CG 3.48Å; S495-I498 PolarHBondContact O-N 3.12Å; S495-I498 VanDerWaalsContact O-N 3.11Å; S495-I498 WeakPolarHBondContact OG-CG1 3.4Å; S495-V499 WeakPolarHBondContact O-CG2 3.06Å; S495-V499 PolarHBondContact O-N 3.11Å
496	P	98.4	Very high	97.4	Very high	1 Å²	1	7 Å²	7	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-61.3	-33	-176.1	24.3	-33.4	0	0	0	113.3	I384 N389 D394 V499 T500	I384-P496 HydrophobicContact CB-CB 3.99Å; I384-P496 HydrophobicContact CG2-CB 3.84Å; I384-P496 WeakPolarHBondContact CG2-O 3.2Å; N389-P496 HydrophobicContact CB-CG 4.04Å; D394-P496 HydrophobicContact CB-CG 3.84Å; P496-V499 PolarHBondContact O-N 3.09Å; P496-T500 WeakPolarHBondContact O-CB 3.45Å; P496-T500 PolarHBondContact O-N 3.22Å; P496-T500 PolarHBondContact O-OG1 2.94Å
497	E	98.2	Very high	97.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-40.7	173.4	57.2	-94.6	-126.1	0	0	112.8	S245 R397 L401 S495 T500 A501 P530	S245-E497 WeakPolarHBondContact CB-OE1 3.44Å; R397-E497 IonicContact CZ-OE1 3.16Å; R397-E497 IonicContact NE-OE1 2.68Å; R397-E497 PolarHBondContact NE-OE1 3.2Å; R397-E497 IonicContact NH2-OE1 2.72Å; R397-E497 PolarHBondContact NH2-OE1 3.47Å; L401-E497 HydrophobicContact CD1-CB 3.8Å; L401-E497 WeakPolarHBondContact CD1-O 3.46Å; S495-E497 VanDerWaalsContact C-N 3.27Å; S495-E497 WeakPolarHBondContact CB-OE2 3.37Å; S495-E497 PolarHBondContact O-N 3.25Å; S495-E497 WeakPolarHBondContact OG-CG 3.48Å; E497-T500 PolarHBondContact O-N 2.79Å; E497-A501 WeakPolarHBondContact O-CB 3.3Å; E497-A501 PolarHBondContact O-N 2.95Å; E497-P530 HydrophobicContact CB-CB 4.27Å; E497-P530 HydrophobicContact CB-CG 3.8Å; E497-P530 HydrophobicContact CG-CG 3.98Å
498	I	98.8	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-71	-40.4	177.2	-63.9	-64.3	0	0	0	110.3	W243 P349 V363 T494 S495 T500 A501 L502 P512	W243-I498 HydrophobicContact CE3-CD1 3.77Å; W243-I498 HydrophobicContact CZ3-CD1 4.35Å; P349-I498 HydrophobicContact CB-CD1 3.85Å; P349-I498 HydrophobicContact CB-CG1 4.14Å; P349-I498 HydrophobicContact CG-CD1 4.24Å; V363-I498 HydrophobicContact CG1-CG2 4.41Å; V363-I498 HydrophobicContact CG2-CD1 4.49Å; V363-I498 HydrophobicContact CG2-CG2 3.93Å; T494-I498 HydrophobicContact CG2-CB 3.92Å; T494-I498 HydrophobicContact CG2-CG2 3.72Å; T494-I498 WeakPolarHBondContact OG1-CG2 3.46Å; S495-I498 PolarHBondContact O-N 3.12Å; S495-I498 VanDerWaalsContact O-N 3.11Å; S495-I498 WeakPolarHBondContact OG-CG1 3.4Å; I498-T500 VanDerWaalsContact C-N 3.27Å; I498-T500 PolarHBondContact O-N 2.89Å; I498-A501 PolarHBondContact O-N 3.4Å; I498-L502 HydrophobicContact CG2-CD1 3.79Å; I498-L502 HydrophobicContact CG2-CG 4.17Å; I498-L502 WeakPolarHBondContact O-CB 3.33Å; I498-L502 VanDerWaalsContact O-CG 3.26Å; I498-L502 WeakPolarHBondContact O-CG 3.48Å; I498-L502 PolarHBondContact O-N 3.2Å; I498-P512 HydrophobicContact CD1-CG 3.63Å
499	V	98.8	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-55.9	-46.1	171.9	178.2	0	0	0	0	110.5	I384 F416 V472 T473 T494 S495 P496 L502 A503	I384-V499 HydrophobicContact CG2-CB 3.55Å; I384-V499 HydrophobicContact CG2-CG1 3.55Å; I384-V499 HydrophobicContact CG2-CG2 4.18Å; F416-V499 HydrophobicContact CE2-CG1 4.29Å; V472-V499 HydrophobicContact CG1-CG2 4.08Å; T473-V499 VanDerWaalsContact C-CG2 3.43Å; T494-V499 HydrophobicContact CG2-CG2 3.63Å; S495-V499 WeakPolarHBondContact O-CG2 3.06Å; S495-V499 PolarHBondContact O-N 3.11Å; P496-V499 PolarHBondContact O-N 3.09Å; V499-L502 PolarHBondContact O-N 2.85Å; V499-A503 VanDerWaalsContact O-CB 3.29Å; V499-A503 WeakPolarHBondContact O-CB 3.28Å; V499-A503 PolarHBondContact O-N 3.26Å
500	T	98.8	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.9	-48.3	179.7	-54.8	0	0	0	0	110.8	A398 L401 F416 P496 E497 I498 L502 A503 L504	A398-T500 WeakPolarHBondContact CB-OG1 3.31Å; L401-T500 HydrophobicContact CB-CG2 4.22Å; F416-T500 HydrophobicContact CZ-CG2 4.14Å; F416-T500 WeakPolarHBondContact CZ-OG1 3.48Å; P496-T500 WeakPolarHBondContact O-CB 3.45Å; P496-T500 PolarHBondContact O-N 3.22Å; P496-T500 PolarHBondContact O-OG1 2.94Å; E497-T500 PolarHBondContact O-N 2.79Å; I498-T500 VanDerWaalsContact C-N 3.27Å; I498-T500 PolarHBondContact O-N 2.89Å; T500-L502 PolarHBondContact O-N 3.4Å; T500-A503 PolarHBondContact O-N 3.11Å; T500-L504 HydrophobicContact CG2-CD1 4.31Å; T500-L504 VanDerWaalsContact O-CG 3.26Å; T500-L504 WeakPolarHBondContact O-CG 3.41Å; T500-L504 PolarHBondContact O-N 3.1Å
501	A	98.7	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.6	-44.3	176.7	0	0	0	0	0	112.7	W243 L401 E497 I498 L504 A505 F510 P512 L527	W243-A501 HydrophobicContact CH2-CB 4.44Å; W243-A501 HydrophobicContact CZ3-CB 4.13Å; L401-A501 HydrophobicContact CD1-CB 4.41Å; E497-A501 WeakPolarHBondContact O-CB 3.3Å; E497-A501 PolarHBondContact O-N 2.95Å; I498-A501 PolarHBondContact O-N 3.4Å; A501-L504 PolarHBondContact O-N 3.37Å; A501-A505 WeakPolarHBondContact O-CB 3.41Å; A501-A505 PolarHBondContact O-N 3.3Å; A501-F510 HydrophobicContact CB-CE1 4.29Å; A501-P512 HydrophobicContact CB-CB 4.05Å; A501-P512 HydrophobicContact CB-CG 4.24Å; A501-L527 HydrophobicContact CB-CD1 3.98Å
502	L	98.7	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-71.1	-31.1	178.5	-65.8	177	0	0	0	112.6	I351 V472 I498 V499 T500 A505 G506 T507 L508 F510	I351-L502 HydrophobicContact CD1-CD1 4.1Å; V472-L502 HydrophobicContact CG1-CD1 4.09Å; V472-L502 HydrophobicContact CG2-CD1 4.35Å; I498-L502 HydrophobicContact CG2-CD1 3.79Å; I498-L502 HydrophobicContact CG2-CG 4.17Å; I498-L502 WeakPolarHBondContact O-CB 3.33Å; I498-L502 VanDerWaalsContact O-CG 3.26Å; I498-L502 WeakPolarHBondContact O-CG 3.48Å; I498-L502 PolarHBondContact O-N 3.2Å; V499-L502 PolarHBondContact O-N 2.85Å; T500-L502 PolarHBondContact O-N 3.4Å; L502-A505 PolarHBondContact O-N 3.11Å; L502-G506 WeakPolarHBondContact O-CA 3.37Å; L502-G506 PolarHBondContact O-N 3.36Å; L502-T507 WeakPolarHBondContact CD2-O 3.37Å; L502-L508 HydrophobicContact CD1-CD2 4.46Å; L502-F510 HydrophobicContact CD2-CB 4.22Å; L502-F510 HydrophobicContact CD2-CD1 4.39Å; L502-F510 VanDerWaalsContact CD2-O 3.23Å; L502-F510 WeakPolarHBondContact CD2-O 3.49Å
503	A	98.6	Very high	98.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69.6	-38	173.8	0	0	0	0	0	112.1	K413 A414 F416 V499 T500	K413-A503 PolarHBondContact N-O 2.95Å; A414-A503 HydrophobicContact CB-CB 4.17Å; A414-A503 PolarHBondContact N-O 3.12Å; F416-A503 HydrophobicContact CD2-CB 3.87Å; F416-A503 HydrophobicContact CE2-CB 4.39Å; F416-A503 HydrophobicContact CG-CB 4.48Å; V499-A503 VanDerWaalsContact O-CB 3.29Å; V499-A503 WeakPolarHBondContact O-CB 3.28Å; V499-A503 PolarHBondContact O-N 3.26Å; T500-A503 PolarHBondContact O-N 3.11Å
504	L	98.4	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.5	-43.8	170.8	-66.7	167.7	0	0	0	111.5	A405 L410 K413 V441 T500 A501 L517 L527	A405-L504 HydrophobicContact CB-CD1 3.88Å; A405-L504 HydrophobicContact CB-CD2 3.65Å; A405-L504 HydrophobicContact CB-CG 4.41Å; L410-L504 HydrophobicContact CD2-CB 4.04Å; L410-L504 HydrophobicContact CD2-CD2 3.63Å; L410-L504 HydrophobicContact CD2-CG 4.39Å; K413-L504 WeakPolarHBondContact CG-O 3.38Å; V441-L504 HydrophobicContact CG2-CD2 3.55Å; T500-L504 HydrophobicContact CG2-CD1 4.31Å; T500-L504 VanDerWaalsContact O-CG 3.26Å; T500-L504 WeakPolarHBondContact O-CG 3.41Å; T500-L504 PolarHBondContact O-N 3.1Å; A501-L504 PolarHBondContact O-N 3.37Å; L504-L517 HydrophobicContact CB-CD1 4.26Å; L504-L527 HydrophobicContact CD1-CD1 4.43Å
505	A	98.2	Very high	98.2	Very high	9 Å²	9	14.6 Å²	14.6	7%	0.074	9%	0.088	C	C	.	.	H	α-helix	trans	-74.7	-30.9	-180	0	0	0	0	0	114	K413 A501 L502 T507 F510 L517	K413-A505 WeakPolarHBondContact CD-O 3.31Å; A501-A505 WeakPolarHBondContact O-CB 3.41Å; A501-A505 PolarHBondContact O-N 3.3Å; L502-A505 PolarHBondContact O-N 3.11Å; A505-T507 VanDerWaalsContact C-N 3.28Å; A505-T507 HydrophobicContact CB-CG2 4.48Å; A505-T507 PolarHBondContact O-N 3.16Å; A505-F510 HydrophobicContact CB-CB 3.41Å; A505-F510 VanDerWaalsContact CB-CB 3.41Å; A505-F510 HydrophobicContact CB-CD1 3.53Å; A505-F510 HydrophobicContact CB-CD2 3.95Å; A505-F510 HydrophobicContact CB-CE1 4.26Å; A505-F510 HydrophobicContact CB-CG 3.34Å; A505-L517 HydrophobicContact CB-CD2 3.98Å
506	G	98.1	Very high	98.1	Very high	12 Å²	12	21.8 Å²	21.8	12%	0.124	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	12.2	-175.8	0	0	0	0	0	114.5	V379 L502	V379-G506 PolarHBondContact N-O 2.96Å; L502-G506 WeakPolarHBondContact O-CA 3.37Å; L502-G506 PolarHBondContact O-N 3.36Å
507	T	98.4	Very high	98.1	Very high	39 Å²	39	22.2 Å²	22.2	24%	0.239	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-150.2	144.1	-177	-175.4	0	0	0	0	113.9	L377 L502 A505 S509 F510	L377-T507 CarbonylContact O-C 3.53Å; L377-T507 WeakPolarHBondContact O-CA 3.48Å; L377-T507 PolarHBondContact O-OG1 3.2Å; L502-T507 WeakPolarHBondContact CD2-O 3.37Å; A505-T507 VanDerWaalsContact C-N 3.28Å; A505-T507 HydrophobicContact CB-CG2 4.48Å; A505-T507 PolarHBondContact O-N 3.16Å; T507-S509 PolarHBondContact O-N 2.83Å; T507-S509 PolarHBondContact OG1-N 2.98Å; T507-F510 HydrophobicContact CG2-CB 4.11Å; T507-F510 PolarHBondContact O-N 2.81Å
508	L	97.9	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.9	170	-69.6	-178.1	0	0	0	113.4	I351 I366 A370 L377 V379 T470 V472 F492 L502 F510	I351-L508 HydrophobicContact CD1-CD2 4.16Å; I366-L508 VanDerWaalsContact CG2-O 3.28Å; I366-L508 WeakPolarHBondContact CG2-O 3.39Å; A370-L508 HydrophobicContact CB-CD1 4.21Å; L377-L508 HydrophobicContact CD2-CB 4.38Å; L377-L508 PolarHBondContact O-N 2.64Å; V379-L508 HydrophobicContact CG2-CD2 3.97Å; V379-L508 HydrophobicContact CG2-CG 4.05Å; T470-L508 HydrophobicContact CG2-CD1 3.74Å; T470-L508 HydrophobicContact CG2-CD2 4.07Å; T470-L508 HydrophobicContact CG2-CG 3.88Å; V472-L508 HydrophobicContact CG2-CD2 3.64Å; F492-L508 HydrophobicContact CD2-CD1 4.11Å; F492-L508 HydrophobicContact CD2-CD2 4.33Å; F492-L508 HydrophobicContact CE2-CD1 3.63Å; F492-L508 HydrophobicContact CZ-CD1 4.07Å; L502-L508 HydrophobicContact CD1-CD2 4.46Å; L508-F510 PolarHBondContact O-N 2.89Å
509	S	97.4	Very high	97.7	Very high	41 Å²	41	27.8 Å²	27.8	29%	0.287	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.5	179.4	-66.1	0	0	0	0	114	L377 T507	L377-S509 WeakPolarHBondContact CD2-OG 3.49Å; T507-S509 PolarHBondContact O-N 2.83Å; T507-S509 PolarHBondContact OG1-N 2.98Å
510	F	98.4	Very high	97.4	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.053	18%	0.178	C	C	.	.			trans	-86.4	121.6	-179.5	178.6	-104.8	0	0	0	110.9	A501 L502 A505 T507 L508 P512 D515 L517 L527	A501-F510 HydrophobicContact CB-CE1 4.29Å; L502-F510 HydrophobicContact CD2-CB 4.22Å; L502-F510 HydrophobicContact CD2-CD1 4.39Å; L502-F510 VanDerWaalsContact CD2-O 3.23Å; L502-F510 WeakPolarHBondContact CD2-O 3.49Å; A505-F510 HydrophobicContact CB-CB 3.41Å; A505-F510 VanDerWaalsContact CB-CB 3.41Å; A505-F510 HydrophobicContact CB-CD1 3.53Å; A505-F510 HydrophobicContact CB-CD2 3.95Å; A505-F510 HydrophobicContact CB-CE1 4.26Å; A505-F510 HydrophobicContact CB-CG 3.34Å; T507-F510 HydrophobicContact CG2-CB 4.11Å; T507-F510 PolarHBondContact O-N 2.81Å; L508-F510 PolarHBondContact O-N 2.89Å; F510-P512 HydrophobicContact CE1-CB 3.95Å; F510-D515 HydrophobicContact CD2-CB 3.7Å; F510-D515 HydrophobicContact CE2-CB 3.6Å; F510-L517 HydrophobicContact CD2-CD2 4.13Å; F510-L517 HydrophobicContact CE1-CD2 4.5Å; F510-L517 HydrophobicContact CE2-CD2 3.65Å; F510-L517 HydrophobicContact CE2-CG 3.86Å; F510-L517 HydrophobicContact CZ-CD1 4.27Å; F510-L517 HydrophobicContact CZ-CD2 3.86Å; F510-L517 HydrophobicContact CZ-CG 3.77Å; F510-L527 HydrophobicContact CE1-CD1 4.14Å; F510-L527 HydrophobicContact CZ-CD1 4.27Å
511	N	98.1	Very high	97.1	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.091	21%	0.209	C	C	.	.			trans	-102	109.6	170.5	-179.9	11	0	0	0	110.6	E513 T514 D515	N511-E513 PolarHBondContact O-N 3.15Å; N511-E513 VanDerWaalsContact O-N 3.14Å; N511-E513 PolarHBondContact OD1-N 3.16Å; N511-E513 VanDerWaalsContact OD1-N 3.09Å; N511-T514 WeakPolarHBondContact CB-OG1 3.23Å; N511-T514 PolarHBondContact ND2-OG1 3.22Å; N511-T514 PolarHBondContact O-N 2.93Å; N511-T514 VanDerWaalsContact O-N 3.11Å; N511-D515 PolarHBondContact N-OD2 3.39Å; N511-D515 VanDerWaalsContact O-CB 3.3Å; N511-D515 WeakPolarHBondContact O-CB 3.23Å; N511-D515 PolarHBondContact O-N 2.94Å
512	P	97.3	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.1	-179.8	22.5	-30.6	0	0	0	113.9	W243 I498 A501 F510 T514	W243-P512 HydrophobicContact CD2-CB 4.11Å; W243-P512 HydrophobicContact CD2-CG 4.32Å; W243-P512 HydrophobicContact CE3-CB 3.89Å; W243-P512 HydrophobicContact CE3-CG 3.95Å; W243-P512 HydrophobicContact CH2-CB 3.41Å; W243-P512 VanDerWaalsContact CH2-CB 3.41Å; W243-P512 HydrophobicContact CH2-CG 4.31Å; W243-P512 HydrophobicContact CZ2-CB 3.63Å; W243-P512 HydrophobicContact CZ3-CB 3.53Å; W243-P512 HydrophobicContact CZ3-CG 3.93Å; I498-P512 HydrophobicContact CD1-CG 3.63Å; A501-P512 HydrophobicContact CB-CB 4.05Å; A501-P512 HydrophobicContact CB-CG 4.24Å; F510-P512 HydrophobicContact CE1-CB 3.95Å; P512-T514 VanDerWaalsContact C-N 3.29Å; P512-T514 PolarHBondContact O-N 3.23Å
513	E	97	Very high	96.6	Very high	45 Å²	45	43.7 Å²	43.7	21%	0.21	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.1	177.8	-74.4	-172.4	100.2	0	0	113.3	W243 K348 P349 N511 K526	W243-E513 HydrophobicContact CB-CG 4.27Å; W243-E513 HydrophobicContact CG-CG 3.99Å; K348-E513 IonicContact NZ-OE1 3.87Å; K348-E513 PolarHBondContact NZ-OE1 3.19Å; P349-E513 WeakPolarHBondContact CD-OE2 3.25Å; N511-E513 PolarHBondContact O-N 3.15Å; N511-E513 VanDerWaalsContact O-N 3.14Å; N511-E513 PolarHBondContact OD1-N 3.16Å; N511-E513 VanDerWaalsContact OD1-N 3.09Å; E513-K526 WeakPolarHBondContact O-CE 3.28Å; E513-K526 PolarHBondContact O-NZ 3.13Å
514	T	97	Very high	96.5	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.46	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-33.4	-171.2	54	0	0	0	0	114.4	N511 P512	N511-T514 WeakPolarHBondContact CB-OG1 3.23Å; N511-T514 PolarHBondContact ND2-OG1 3.22Å; N511-T514 PolarHBondContact O-N 2.93Å; N511-T514 VanDerWaalsContact O-N 3.11Å; P512-T514 VanDerWaalsContact C-N 3.29Å; P512-T514 PolarHBondContact O-N 3.23Å
515	D	97.8	Very high	96.4	Very high	54 Å²	54	51.5 Å²	51.5	29%	0.289	29%	0.286	S	S	.	.			trans	-91.9	166.7	-162	-60.4	-6.7	0	0	0	112.8	F510 N511	F510-D515 HydrophobicContact CD2-CB 3.7Å; F510-D515 HydrophobicContact CE2-CB 3.6Å; N511-D515 PolarHBondContact N-OD2 3.39Å; N511-D515 VanDerWaalsContact O-CB 3.3Å; N511-D515 WeakPolarHBondContact O-CB 3.23Å; N511-D515 PolarHBondContact O-N 2.94Å
516	Y	97.8	Very high	96.4	Very high	151 Å²	151	55.3 Å²	55.3	59%	0.592	30%	0.301	S	S	*	.			trans	-111	140.1	180	-65	-96.8	0	0	0	110.9	K524 F525 K526	Y516-K524 HydrophobicContact CD1-CB 4.25Å; Y516-F525 CarbonylContact C-O 3.55Å; Y516-F525 WeakPolarHBondContact CA-O 3.5Å; Y516-K526 HydrophobicContact CD1-CB 4.14Å; Y516-K526 HydrophobicContact CE1-CB 4.16Å
517	L	96.8	Very high	96.4	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	156.7	163.8	-66.3	176.6	0	0	0	110	L410 L504 A505 F510 K524 F525 L527	L410-L517 HydrophobicContact CD1-CB 4.36Å; L504-L517 HydrophobicContact CB-CD1 4.26Å; A505-L517 HydrophobicContact CB-CD2 3.98Å; F510-L517 HydrophobicContact CD2-CD2 4.13Å; F510-L517 HydrophobicContact CE1-CD2 4.5Å; F510-L517 HydrophobicContact CE2-CD2 3.65Å; F510-L517 HydrophobicContact CE2-CG 3.86Å; F510-L517 HydrophobicContact CZ-CD1 4.27Å; F510-L517 HydrophobicContact CZ-CD2 3.86Å; F510-L517 HydrophobicContact CZ-CG 3.77Å; L517-K524 WeakPolarHBondContact O-CA 3.35Å; L517-F525 HydrophobicContact CB-CD1 4.34Å; L517-F525 HydrophobicContact CB-CE1 3.8Å; L517-F525 HydrophobicContact CB-CE2 4.46Å; L517-F525 HydrophobicContact CB-CZ 3.87Å; L517-F525 HydrophobicContact CD1-CE2 4.47Å; L517-F525 HydrophobicContact CD1-CZ 4.14Å; L517-F525 PolarHBondContact N-O 3.18Å; L517-F525 PolarHBondContact O-N 3.31Å; L517-L527 HydrophobicContact CD1-CD1 3.98Å; L517-L527 HydrophobicContact CD1-CD2 4.27Å; L517-L527 HydrophobicContact CD1-CG 4.03Å
518	M	96	Very high	96.4	Very high	115 Å²	115	59.7 Å²	59.7	57%	0.567	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.6	176.9	-175.9	175.1	-68.9	0	0	109	L410	L410-M518 WeakPolarHBondContact CD1-O 3.45Å
519	A	93.3	Very high	96.3	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.025	34%	0.336	C	S	.	.			trans	-67.8	158.5	173.5	0	0	0	0	0	111	K408 S521 G522 E523 F525	K408-A519 HydrophobicContact CB-CB 4.2Å; K408-A519 WeakPolarHBondContact O-CB 3.23Å; A519-S521 WeakPolarHBondContact CB-OG 3.34Å; A519-S521 PolarHBondContact O-N 3.18Å; A519-S521 VanDerWaalsContact O-N 3.11Å; A519-G522 PolarHBondContact O-N 2.89Å; A519-E523 HydrophobicContact CB-CB 4.29Å; A519-E523 PolarHBondContact N-O 2.84Å; A519-F525 HydrophobicContact CB-CD1 4.3Å; A519-F525 HydrophobicContact CB-CE1 4.21Å
520	P	93.2	Very high	96.3	Very high	103 Å²	103	61 Å²	61	67%	0.669	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.5	172.5	-25.3	35.4	0	0	0	114	K408 G409 G522	K408-P520 WeakPolarHBondContact O-CD 3.37Å; G409-P520 WeakPolarHBondContact O-CG 3.35Å; P520-G522 PolarHBondContact O-N 3.35Å
521	S	91.5	Very high	96.1	Very high	93 Å²	93	65.1 Å²	65.1	65%	0.65	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.5	172.6	60.4	0	0	0	0	114.1	A519 E523	A519-S521 WeakPolarHBondContact CB-OG 3.34Å; A519-S521 PolarHBondContact O-N 3.18Å; A519-S521 VanDerWaalsContact O-N 3.11Å; S521-E523 VanDerWaalsContact C-N 3.32Å; S521-E523 WeakPolarHBondContact OG-CB 3.45Å; S521-E523 PolarHBondContact OG-N 3.45Å
522	G	92.3	Very high	95.8	Very high	48 Å²	48	65.7 Å²	65.7	50%	0.495	36%	0.359	S	S	.	.	S	Bend	trans	86.5	-5.1	-171.3	0	0	0	0	0	114.3	A519 P520	A519-G522 PolarHBondContact O-N 2.89Å; P520-G522 PolarHBondContact O-N 3.35Å
523	E	95	Very high	95.7	Very high	90 Å²	90	70 Å²	70	42%	0.421	38%	0.382	S	S	.	.			trans	-65.8	132	176	-171.3	-170.2	160.9	0	0	110.8	K408 A519 S521	K408-E523 VanDerWaalsContact NZ-CD 3.31Å; K408-E523 IonicContact NZ-OE1 3.61Å; K408-E523 PolarHBondContact NZ-OE1 3.27Å; K408-E523 IonicContact NZ-OE2 3.14Å; K408-E523 PolarHBondContact NZ-OE2 2.94Å; K408-E523 VanDerWaalsContact NZ-OE2 3.14Å; A519-E523 HydrophobicContact CB-CB 4.29Å; A519-E523 PolarHBondContact N-O 2.84Å; S521-E523 VanDerWaalsContact C-N 3.32Å; S521-E523 WeakPolarHBondContact OG-CB 3.45Å; S521-E523 PolarHBondContact OG-N 3.45Å
524	K	96.4	Very high	95.6	Very high	145 Å²	145	69.9 Å²	69.9	63%	0.63	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.8	168.3	-69.8	-175.4	-179.3	-179.3	0	109.4	Y516 L517	Y516-K524 HydrophobicContact CD1-CB 4.25Å; L517-K524 WeakPolarHBondContact O-CA 3.35Å
525	F	97.2	Very high	95.6	Very high	19 Å²	19	67.4 Å²	67.4	8%	0.083	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.5	174.1	73.6	-79	0	0	0	110.3	K408 L410 Y516 L517 A519 L527	K408-F525 HydrophobicContact CB-CD1 4.17Å; K408-F525 HydrophobicContact CB-CE1 3.81Å; K408-F525 HydrophobicContact CB-CE2 4.44Å; K408-F525 HydrophobicContact CB-CZ 3.96Å; K408-F525 HydrophobicContact CG-CD1 4Å; K408-F525 HydrophobicContact CG-CD2 4.05Å; K408-F525 HydrophobicContact CG-CE1 4.06Å; K408-F525 HydrophobicContact CG-CE2 4.1Å; K408-F525 HydrophobicContact CG-CG 4Å; K408-F525 HydrophobicContact CG-CZ 4.11Å; L410-F525 HydrophobicContact CD1-CE1 4.25Å; L410-F525 HydrophobicContact CD1-CZ 4.39Å; Y516-F525 CarbonylContact C-O 3.55Å; Y516-F525 WeakPolarHBondContact CA-O 3.5Å; L517-F525 HydrophobicContact CB-CD1 4.34Å; L517-F525 HydrophobicContact CB-CE1 3.8Å; L517-F525 HydrophobicContact CB-CE2 4.46Å; L517-F525 HydrophobicContact CB-CZ 3.87Å; L517-F525 HydrophobicContact CD1-CE2 4.47Å; L517-F525 HydrophobicContact CD1-CZ 4.14Å; L517-F525 PolarHBondContact N-O 3.18Å; L517-F525 PolarHBondContact O-N 3.31Å; A519-F525 HydrophobicContact CB-CD1 4.3Å; A519-F525 HydrophobicContact CB-CE1 4.21Å; F525-L527 HydrophobicContact CE2-CD2 4.01Å
526	K	97.4	Very high	95.5	Very high	90 Å²	90	64.9 Å²	64.9	39%	0.391	35%	0.352	S	S	.	.			trans	-107.5	142.2	176.8	-178.3	172.3	-179.4	-176.8	0	108.5	E513 Y516	E513-K526 WeakPolarHBondContact O-CE 3.28Å; E513-K526 PolarHBondContact O-NZ 3.13Å; Y516-K526 HydrophobicContact CD1-CB 4.14Å; Y516-K526 HydrophobicContact CE1-CB 4.16Å
527	L	97.8	Very high	95.3	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.3	133	172.4	-67.5	173.2	0	0	0	109.4	W243 Q404 A501 L504 F510 L517 F525	W243-L527 HydrophobicContact CH2-CB 3.76Å; W243-L527 HydrophobicContact CH2-CD1 4.17Å; W243-L527 HydrophobicContact CZ2-CB 3.76Å; Q404-L527 HydrophobicContact CB-CD2 4.21Å; A501-L527 HydrophobicContact CB-CD1 3.98Å; L504-L527 HydrophobicContact CD1-CD1 4.43Å; F510-L527 HydrophobicContact CE1-CD1 4.14Å; F510-L527 HydrophobicContact CZ-CD1 4.27Å; L517-L527 HydrophobicContact CD1-CD1 3.98Å; L517-L527 HydrophobicContact CD1-CD2 4.27Å; L517-L527 HydrophobicContact CD1-CG 4.03Å; F525-L527 HydrophobicContact CE2-CD2 4.01Å
528	E	98.1	Very high	95.2	Very high	139 Å²	139	69.4 Å²	69.4	65%	0.65	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-82.3	149.6	171	-64.6	-174.4	171.1	0	0	109.6	L401 Q404	L401-E528 WeakPolarHBondContact CD2-O 3.34Å; Q404-E528 PolarHBondContact NE2-O 3.01Å
529	P	97.6	Very high	95.1	Very high	64 Å²	64	69.7 Å²	69.7	42%	0.416	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-50	135.3	176	-25.6	33.3	0	0	0	112
530	P	96.8	Very high	95.3	Very high	6 Å²	6	70.5 Å²	70.5	4%	0.039	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.3	-174.4	27.6	-36.1	0	0	0	112.1	W243 R397 L401 E497	W243-P530 HydrophobicContact CE3-CG 4.44Å; R397-P530 HydrophobicContact CB-CB 4.09Å; R397-P530 PolarHBondContact NH1-O 3.49Å; R397-P530 VanDerWaalsContact NH1-O 3.12Å; R397-P530 WeakPolarHBondContact O-CB 3.45Å; L401-P530 HydrophobicContact CD1-CB 4.26Å; L401-P530 HydrophobicContact CD1-CG 4.5Å; L401-P530 HydrophobicContact CD2-CB 3.96Å; L401-P530 HydrophobicContact CG-CB 3.9Å; E497-P530 HydrophobicContact CB-CB 4.27Å; E497-P530 HydrophobicContact CB-CG 3.8Å; E497-P530 HydrophobicContact CG-CG 3.98Å
531	T	94.3	Very high	95.5	Very high	98 Å²	98	68.4 Å²	68.4	60%	0.601	37%	0.373	S	S	*	.			trans	-113	145.4	171.5	59.4	0	0	0	0	109.5	S400	S400-T531 WeakPolarHBondContact CB-O 3.35Å; S400-T531 PolarHBondContact OG-N 3.2Å; S400-T531 PolarHBondContact OG-OG1 3.32Å; S400-T531 VanDerWaalsContact OG-OG1 3.11Å
532	G	91.3	Very high	95.6	Very high	28 Å²	28	67.8 Å²	67.8	29%	0.289	37%	0.367	S	S	.	.			trans	-162	136.5	172.9	0	0	0	0	0	109.5
533	D	95.4	Very high	95.7	Very high	90 Å²	90	66.9 Å²	66.9	48%	0.481	36%	0.357	S	S	.	.			trans	-67.5	133.5	174.4	-69.3	-18	0	0	0	109	Y392 L535	Y392-D533 WeakPolarHBondContact CD1-O 3.48Å; Y392-D533 HydrophobicContact CE1-CB 4.08Å; D533-L535 PolarHBondContact O-N 2.97Å
534	E	94.5	Very high	95.5	Very high	44 Å²	44	69 Å²	69	21%	0.206	37%	0.367	C	S	.	.	S	Bend	trans	-57.2	-40.8	179	-175	-179	156.8	0	0	111.4	S278 R304	S278-E534 VanDerWaalsContact CB-CD 3.45Å; S278-E534 VanDerWaalsContact CB-CG 3.49Å; S278-E534 WeakPolarHBondContact CB-OE1 3.49Å; R304-E534 IonicContact CZ-OE2 3.14Å; R304-E534 IonicContact NH1-OE2 2.7Å; R304-E534 PolarHBondContact NH1-OE2 2.87Å
535	L	97.3	Very high	95.3	Very high	23 Å²	23	68.8 Å²	68.8	12%	0.12	37%	0.373	C	S	.	.	S	Bend	trans	-140.8	153.5	-178.4	-69.2	171.1	0	0	0	109.4	T307 Y308 K311 D533 S537 F540	T307-L535 HydrophobicContact CG2-CD1 3.88Å; Y308-L535 HydrophobicContact CD2-CD2 3.78Å; Y308-L535 HydrophobicContact CE2-CD2 4.07Å; K311-L535 HydrophobicContact CB-CD1 3.9Å; K311-L535 HydrophobicContact CG-CB 4.18Å; K311-L535 HydrophobicContact CG-CD1 4.07Å; K311-L535 HydrophobicContact CG-CD2 4.24Å; K311-L535 HydrophobicContact CG-CG 4.39Å; D533-L535 PolarHBondContact O-N 2.97Å; L535-S537 PolarHBondContact O-N 3.03Å; L535-F540 HydrophobicContact CD2-CE2 3.99Å; L535-F540 HydrophobicContact CD2-CZ 3.91Å
536	P	96.4	Very high	95.1	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.006	37%	0.374	C	S	.	.			trans	-61	141.1	179.1	26.4	-35.1	0	0	0	110.8	K311 Y392 T428 R538 F540	K311-P536 HydrophobicContact CD-CG 4.46Å; K311-P536 WeakPolarHBondContact CE-O 3.43Å; K311-P536 PolarHBondContact NZ-O 3.05Å; Y392-P536 HydrophobicContact CD2-CB 4.48Å; Y392-P536 HydrophobicContact CE1-CB 4.15Å; Y392-P536 HydrophobicContact CE2-CB 4.01Å; T428-P536 HydrophobicContact CG2-CB 4.04Å; T428-P536 HydrophobicContact CG2-CG 4.14Å; P536-R538 VanDerWaalsContact C-N 3.27Å; P536-R538 CarbonylContact C-O 3.57Å; P536-R538 VanDerWaalsContact C-O 3.25Å; P536-R538 VanDerWaalsContact CB-O 3.28Å; P536-R538 WeakPolarHBondContact CB-O 3.42Å; P536-R538 WeakPolarHBondContact CG-O 3.24Å; P536-R538 PolarHBondContact O-N 3.38Å; P536-F540 HydrophobicContact CG-CD1 3.89Å; P536-F540 HydrophobicContact CG-CD2 4.07Å; P536-F540 HydrophobicContact CG-CE1 3.77Å; P536-F540 HydrophobicContact CG-CE2 3.98Å; P536-F540 HydrophobicContact CG-CG 4.03Å; P536-F540 HydrophobicContact CG-CZ 3.82Å
537	S	93.3	Very high	95.1	Very high	100 Å²	100	65 Å²	65	70%	0.699	36%	0.357	S	S	*	.	S	Bend	trans	-60.8	-41	174.4	55.2	0	0	0	0	111.1	L535	L535-S537 PolarHBondContact O-N 3.03Å
538	R	94	Very high	95.1	Very high	156 Å²	156	67.7 Å²	67.7	59%	0.589	37%	0.37	S	S	*	.	S	Bend	trans	-82.4	172	167.5	-61.7	174.1	64.7	-178.1	-0.4	110.9	P536	P536-R538 VanDerWaalsContact C-N 3.27Å; P536-R538 CarbonylContact C-O 3.57Å; P536-R538 VanDerWaalsContact C-O 3.25Å; P536-R538 VanDerWaalsContact CB-O 3.28Å; P536-R538 WeakPolarHBondContact CB-O 3.42Å; P536-R538 WeakPolarHBondContact CG-O 3.24Å; P536-R538 PolarHBondContact O-N 3.38Å
539	D	95.1	Very high	95	Very high	121 Å²	121	66.4 Å²	66.4	65%	0.647	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66.7	158.3	170.6	-62.8	-32.5	0	0	0	111.4	R431	R431-D539 PolarHBondContact NH1-O 3.34Å; R431-D539 PolarHBondContact NH2-O 2.94Å
540	F	97.2	Very high	94.9	Very high	20 Å²	20	65.3 Å²	65.3	9%	0.088	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-62	137.8	173	-79.9	-76.1	0	0	0	110.8	K311 T312 Q424 I425 T428 L535 P536	K311-F540 HydrophobicContact CG-CD2 3.86Å; K311-F540 HydrophobicContact CG-CE2 3.6Å; T312-F540 HydrophobicContact CG2-CD2 4.34Å; T312-F540 HydrophobicContact CG2-CE2 4.17Å; Q424-F540 HydrophobicContact CG-CB 3.79Å; Q424-F540 HydrophobicContact CG-CD1 3.94Å; Q424-F540 HydrophobicContact CG-CG 4.08Å; I425-F540 HydrophobicContact CD1-CD1 4.46Å; I425-F540 HydrophobicContact CD1-CE1 3.76Å; I425-F540 HydrophobicContact CD1-CZ 4.5Å; T428-F540 HydrophobicContact CG2-CD1 3.85Å; T428-F540 HydrophobicContact CG2-CE1 4.31Å; T428-F540 WeakPolarHBondContact OG1-CD1 3.37Å; L535-F540 HydrophobicContact CD2-CE2 3.99Å; L535-F540 HydrophobicContact CD2-CZ 3.91Å; P536-F540 HydrophobicContact CG-CD1 3.89Å; P536-F540 HydrophobicContact CG-CD2 4.07Å; P536-F540 HydrophobicContact CG-CE1 3.77Å; P536-F540 HydrophobicContact CG-CE2 3.98Å; P536-F540 HydrophobicContact CG-CG 4.03Å; P536-F540 HydrophobicContact CG-CZ 3.82Å
541	D	97.4	Very high	94.7	Very high	58 Å²	58	67.8 Å²	67.8	31%	0.31	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-80.2	118.3	167.7	-166.3	-42	0	0	0	108.1	Q424 A427 T428 G543	Q424-D541 VanDerWaalsContact CA-O 3.28Å; Q424-D541 WeakPolarHBondContact CA-O 3.3Å; Q424-D541 WeakPolarHBondContact CG-O 3.3Å; Q424-D541 VanDerWaalsContact O-O 3.12Å; A427-D541 HydrophobicContact CB-CB 3.95Å; T428-D541 PolarHBondContact OG1-N 3.15Å; T428-D541 PolarHBondContact OG1-O 3.38Å; D541-G543 PolarHBondContact O-N 3.35Å; D541-G543 PolarHBondContact OD1-N 3.35Å
542	P	92.7	Very high	94.3	Very high	81 Å²	81	68.5 Å²	68.5	53%	0.526	39%	0.389	S	S	.	.			trans	-68	-16.3	-179.3	29.9	-35.6	0	0	0	113.1
543	G	94.9	Very high	94.2	Very high	29 Å²	29	75.3 Å²	75.3	30%	0.299	41%	0.413	S	S	.	.			trans	66.3	-145.6	-176.4	0	0	0	0	0	112.9	D541	D541-G543 PolarHBondContact O-N 3.35Å; D541-G543 PolarHBondContact OD1-N 3.35Å
544	Q	91.6	Very high	93.9	Very high	133 Å²	133	72.3 Å²	72.3	62%	0.621	40%	0.399	S	S	*	.	S	Bend	trans	-70.9	139.8	178.6	-61.2	-177.3	17	0	0	112.1	E423 T546	E423-Q544 HydrophobicContact CG-CB 4.26Å; E423-Q544 PolarHBondContact OE1-N 3.43Å; E423-Q544 VanDerWaalsContact OE1-N 3.15Å; Q544-T546 HydrophobicContact CB-CG2 4.29Å; Q544-T546 WeakPolarHBondContact O-CG2 3.5Å; Q544-T546 PolarHBondContact O-N 2.8Å
545	D	91	Very high	93.4	Very high	142 Å²	142	74.9 Å²	74.9	76%	0.759	43%	0.428	S	S	*	.			trans	-70	106.9	171.3	-174.5	12.6	0	0	0	110.4	Y547	D545-Y547 PolarHBondContact OD1-N 2.77Å
546	T	92.9	Very high	92.8	Very high	16 Å²	16	78.7 Å²	78.7	10%	0.098	46%	0.456	C	S	.	.			trans	-111.9	-0.2	-174.1	51.8	0	0	0	0	112.8	K169 S172 Q544	K169-T546 VanDerWaalsContact CB-O 3.29Å; K169-T546 WeakPolarHBondContact CB-O 3.46Å; K169-T546 WeakPolarHBondContact CG-O 3.31Å; K169-T546 PolarHBondContact N-O 3.37Å; S172-T546 VanDerWaalsContact CB-OG1 3.29Å; S172-T546 WeakPolarHBondContact CB-OG1 3.34Å; Q544-T546 HydrophobicContact CB-CG2 4.29Å; Q544-T546 WeakPolarHBondContact O-CG2 3.5Å; Q544-T546 PolarHBondContact O-N 2.8Å
547	Y	97.6	Very high	92.6	Very high	12 Å²	12	80.1 Å²	80.1	5%	0.047	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.4	178.7	-172.1	-109.4	0	0	0	111.5	F39 G166 W168 D545 H549	F39-Y547 HydrophobicContact CB-CE1 3.99Å; F39-Y547 AromaticContact CD1-CD1 3.38Å; F39-Y547 HydrophobicContact CD1-CD1 3.38Å; F39-Y547 HydrophobicContact CD1-CD2 4.5Å; F39-Y547 AromaticContact CD1-CE1 3.41Å; F39-Y547 HydrophobicContact CD1-CE1 3.41Å; F39-Y547 VanDerWaalsContact CD1-CE1 3.41Å; F39-Y547 AromaticContact CD1-CG 3.95Å; F39-Y547 HydrophobicContact CD1-CG 3.95Å; F39-Y547 AromaticContact CD1-CZ 4Å; F39-Y547 AromaticContact CE1-CD1 3.64Å; F39-Y547 HydrophobicContact CE1-CD1 3.64Å; F39-Y547 HydrophobicContact CE1-CD2 4.46Å; F39-Y547 HydrophobicContact CE1-CE1 4.13Å; F39-Y547 AromaticContact CE1-CG 3.8Å; F39-Y547 HydrophobicContact CE1-CG 3.8Å; F39-Y547 HydrophobicContact CG-CD1 4.29Å; F39-Y547 AromaticContact CG-CE1 3.93Å; F39-Y547 HydrophobicContact CG-CE1 3.93Å; G166-Y547 WeakPolarHBondContact CA-OH 3.41Å; W168-Y547 AromaticContact CD1-CD2 3.79Å; W168-Y547 AromaticContact CD1-CE2 3.94Å; W168-Y547 AromaticContact CD2-CD2 3.71Å; W168-Y547 HydrophobicContact CD2-CD2 3.71Å; W168-Y547 AromaticContact CE2-CD2 3.47Å; W168-Y547 VanDerWaalsContact CE2-CD2 3.47Å; W168-Y547 HydrophobicContact CE3-CD2 4.33Å; W168-Y547 AromaticContact CG-CD2 3.94Å; W168-Y547 HydrophobicContact CG-CD2 3.94Å; W168-Y547 AromaticContact CZ2-CD2 3.97Å; W168-Y547 HydrophobicContact CZ2-CD2 3.97Å; W168-Y547 HydrophobicContact CZ2-CG 4.47Å; W168-Y547 AromaticContact NE1-CD2 3.47Å; W168-Y547 AromaticContact NE1-CE2 3.59Å; D545-Y547 PolarHBondContact OD1-N 2.77Å; Y547-H549 AromaticContact CD1-CD2 3.62Å; Y547-H549 AromaticContact CD1-NE2 3.58Å; Y547-H549 HydrophobicContact CE1-CB 4.44Å; Y547-H549 AromaticContact CE1-CD2 3.75Å; Y547-H549 AromaticContact CE1-CE1 3.64Å; Y547-H549 AromaticContact CE1-CG 3.72Å; Y547-H549 AromaticContact CE1-ND1 3.65Å; Y547-H549 AromaticContact CE1-NE2 3.7Å
548	Q	97.4	Very high	92.4	Very high	61 Å²	61	81 Å²	81	29%	0.285	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.3	171.8	174.1	-179.6	-31.7	0	0	108.5	F167	F167-Q548 HydrophobicContact CB-CB 4.19Å; F167-Q548 HydrophobicContact CD1-CB 4.22Å; F167-Q548 PolarHBondContact N-O 3.19Å; F167-Q548 VanDerWaalsContact N-O 3.11Å; F167-Q548 PolarHBondContact O-N 3.03Å
549	H	96.9	Very high	92.3	Very high	111 Å²	111	74.8 Å²	74.8	51%	0.514	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-69.4	140	173	-72.9	-94.7	0	0	0	110.5	Y547	Y547-H549 AromaticContact CD1-CD2 3.62Å; Y547-H549 AromaticContact CD1-NE2 3.58Å; Y547-H549 HydrophobicContact CE1-CB 4.44Å; Y547-H549 AromaticContact CE1-CD2 3.75Å; Y547-H549 AromaticContact CE1-CE1 3.64Å; Y547-H549 AromaticContact CE1-CG 3.72Å; Y547-H549 AromaticContact CE1-ND1 3.65Å; Y547-H549 AromaticContact CE1-NE2 3.7Å
550	P	94.6	Very high	91.9	Very high	41 Å²	41	75.4 Å²	75.4	27%	0.266	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-64.6	137.8	165.6	27.5	-31.9	0	0	0	109.1
551	P	93.3	Very high	91.7	Very high	58 Å²	58	75.5 Å²	75.5	38%	0.377	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-64.5	150.3	177	29	-34.4	0	0	0	110.7	A161 E553 V557	A161-P551 HydrophobicContact CB-CG 4.26Å; A161-P551 WeakPolarHBondContact O-CD 3.5Å; P551-E553 VanDerWaalsContact C-N 3.28Å; P551-E553 PolarHBondContact O-N 2.9Å; P551-V557 HydrophobicContact CG-CG2 4.42Å
552	A	86.5	Confident	91.5	Very high	113 Å²	113	75.3 Å²	75.3	93%	0.934	45%	0.446	S	S	*	.	S	Bend	trans	-63.3	-36.7	176.5	0	0	0	0	0	111.9
553	E	87.5	Confident	91.5	Very high	171 Å²	171	78.2 Å²	78.2	80%	0.799	47%	0.465	S	S	*	.			trans	-109.6	113.6	173.5	-65.2	-175	-177.9	0	0	109.8	P551	P551-E553 VanDerWaalsContact C-N 3.28Å; P551-E553 PolarHBondContact O-N 2.9Å
554	S	89.7	Confident	91.4	Very high	27 Å²	27	81.8 Å²	81.8	19%	0.189	49%	0.486	C	S	.	.			trans	-118.9	0	-174.7	68	0	0	0	0	114.4	A161 K162 S556 V557	A161-S554 WeakPolarHBondContact O-CB 3.47Å; K162-S554 VanDerWaalsContact O-CB 3.27Å; K162-S554 WeakPolarHBondContact O-CB 3.4Å; K162-S554 PolarHBondContact O-OG 2.83Å; S554-S556 PolarHBondContact O-N 2.98Å; S554-V557 WeakPolarHBondContact O-CB 3.35Å; S554-V557 PolarHBondContact O-N 3.32Å
555	A	83.6	Confident	91.6	Very high	98 Å²	98	76 Å²	76	81%	0.81	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.3	-174.7	0	0	0	0	0	113.7
556	S	86.3	Confident	91.8	Very high	103 Å²	103	73.3 Å²	73.3	72%	0.72	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.1	177.9	56.8	0	0	0	0	113.8	S554 Q558	S554-S556 PolarHBondContact O-N 2.98Å; S556-Q558 PolarHBondContact O-N 3.19Å
557	V	91.2	Very high	91.9	Very high	31 Å²	31	73.8 Å²	73.8	19%	0.188	45%	0.449	C	S	.	.			trans	-71.8	119.9	179.8	-177	0	0	0	0	109	A161 K162 P551 S554	A161-V557 HydrophobicContact CB-CG1 4.24Å; K162-V557 HydrophobicContact CB-CB 4.07Å; K162-V557 HydrophobicContact CB-CG1 3.92Å; K162-V557 WeakPolarHBondContact CD-O 3.38Å; K162-V557 HydrophobicContact CG-CB 4.46Å; K162-V557 PolarHBondContact NZ-O 2.83Å; P551-V557 HydrophobicContact CG-CG2 4.42Å; S554-V557 WeakPolarHBondContact O-CB 3.35Å; S554-V557 PolarHBondContact O-N 3.32Å
558	Q	89.4	Confident	91.9	Very high	119 Å²	119	73.4 Å²	73.4	56%	0.556	45%	0.447	S	S	*	.			trans	-93.7	141.8	173	-61.5	-60	-13.6	0	0	110.3	S556	S556-Q558 PolarHBondContact O-N 3.19Å
559	V	91.3	Very high	91.8	Very high	25 Å²	25	73.5 Å²	73.5	15%	0.152	45%	0.448	C	S	.	.			trans	-120.6	101.9	175.7	174.6	0	0	0	0	105.4	I113 F155 S159 K162 Y163	I113-V559 HydrophobicContact CD1-CG1 4.05Å; F155-V559 HydrophobicContact CD2-CG1 3.81Å; F155-V559 HydrophobicContact CE2-CG1 3.69Å; S159-V559 VanDerWaalsContact OG-CG1 3.22Å; S159-V559 WeakPolarHBondContact OG-CG1 3.3Å; K162-V559 HydrophobicContact CB-CG2 3.8Å; K162-V559 HydrophobicContact CD-CB 4.25Å; K162-V559 HydrophobicContact CD-CG2 3.52Å; K162-V559 HydrophobicContact CG-CG2 4.31Å; Y163-V559 HydrophobicContact CE2-CG2 4.48Å
560	D	87.7	Confident	91.7	Very high	134 Å²	134	72.9 Å²	72.9	72%	0.717	45%	0.448	S	S	*	.			trans	-100	129.8	-176.7	-67.5	-48.8	0	0	0	110.4
561	V	93	Very high	91.6	Very high	23 Å²	23	72.3 Å²	72.3	14%	0.139	44%	0.442	C	S	.	.			trans	-114	113	169.1	177.9	0	0	0	0	106.7	L110 F155 L568 L570	L110-V561 HydrophobicContact CD2-CG2 4.26Å; F155-V561 HydrophobicContact CD2-CG2 3.87Å; F155-V561 HydrophobicContact CE2-CG2 3.73Å; V561-L568 HydrophobicContact CG1-CB 3.81Å; V561-L570 HydrophobicContact CB-CD2 4.15Å; V561-L570 HydrophobicContact CB-CG 4.16Å; V561-L570 HydrophobicContact CG1-CG 4.28Å; V561-L570 HydrophobicContact CG2-CD2 4Å
562	S	93.6	Very high	91.5	Very high	53 Å²	53	77.4 Å²	77.4	37%	0.371	46%	0.461	S	S	.	.			trans	-62.9	129.6	-179.3	176.5	0	0	0	0	110.5	S564 S565	S562-S564 PolarHBondContact O-N 2.82Å; S562-S564 VanDerWaalsContact O-N 3.17Å; S562-S564 PolarHBondContact OG-N 3.37Å; S562-S564 PolarHBondContact OG-OG 3.16Å; S562-S565 VanDerWaalsContact O-CB 3.23Å; S562-S565 WeakPolarHBondContact O-CB 3.45Å; S562-S565 PolarHBondContact O-N 2.78Å
563	P	91.1	Very high	91.7	Very high	142 Å²	142	76.2 Å²	76.2	92%	0.922	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.9	176.1	-23.9	34	0	0	0	114.3
564	S	94.3	Very high	92.1	Very high	105 Å²	105	69.6 Å²	69.6	73%	0.734	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	5.7	176.8	60.4	0	0	0	0	113.4	S562	S562-S564 PolarHBondContact O-N 2.82Å; S562-S564 VanDerWaalsContact O-N 3.17Å; S562-S564 PolarHBondContact OG-N 3.37Å; S562-S564 PolarHBondContact OG-OG 3.16Å
565	S	95.3	Very high	92.3	Very high	11 Å²	11	72 Å²	72	8%	0.077	42%	0.423	C	S	.	.			trans	-61.9	139.1	176.7	178.9	0	0	0	0	110.6	E151 S562 R567 L568 H612	E151-S565 WeakPolarHBondContact OE1-CB 3.43Å; E151-S565 PolarHBondContact OE1-OG 3.12Å; S562-S565 VanDerWaalsContact O-CB 3.23Å; S562-S565 WeakPolarHBondContact O-CB 3.45Å; S562-S565 PolarHBondContact O-N 2.78Å; S565-R567 PolarHBondContact OG-N 2.53Å; S565-L568 VanDerWaalsContact CB-O 3.29Å; S565-L568 WeakPolarHBondContact CB-O 3.2Å; S565-L568 PolarHBondContact OG-N 2.53Å; S565-L568 PolarHBondContact OG-O 2.96Å; S565-H612 PolarHBondContact O-CD2 2.75Å
566	T	94.9	Very high	92.9	Very high	85 Å²	85	73.1 Å²	73.1	52%	0.521	41%	0.41	S	S	.	.	S	Bend	trans	-95.2	-6.4	169.7	58.6	0	0	0	0	112.1	F609 N615	T566-F609 VanDerWaalsContact O-CD1 3.25Å; T566-F609 WeakPolarHBondContact O-CD1 3.41Å; T566-N615 PolarHBondContact O-ND2 2.85Å
567	R	95.3	Very high	93.3	Very high	27 Å²	27	70.8 Å²	70.8	10%	0.102	39%	0.385	C	S	.	.	S	Bend	trans	-102.4	-37.8	-174.7	-58.6	-63.5	-61.3	-91.3	1.2	112.6	V148 N149 E151 V152 S565 K608 G611 H612	V148-R567 PolarHBondContact O-NH1 3Å; N149-R567 PolarHBondContact OD1-NH2 2.89Å; E151-R567 WeakPolarHBondContact OE2-CB 3.39Å; E151-R567 WeakPolarHBondContact OE2-CG 3.33Å; V152-R567 HydrophobicContact CG2-CB 4.15Å; S565-R567 PolarHBondContact OG-N 2.53Å; R567-K608 WeakPolarHBondContact CD-O 3.14Å; R567-K608 PolarHBondContact NE-O 2.6Å; R567-G611 CarbonylContact O-C 3.58Å; R567-G611 VanDerWaalsContact O-C 3.24Å; R567-G611 WeakPolarHBondContact O-CA 3.48Å; R567-H612 PolarHBondContact O-N 2.94Å
568	L	96.3	Very high	93.4	Very high	3 Å²	3	74 Å²	74	2%	0.016	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-127.8	138.9	-175	-66.8	161.8	0	0	0	109.8	Q106 E151 F155 V561 S565 G611	Q106-L568 HydrophobicContact CG-CD2 4.29Å; E151-L568 HydrophobicContact CG-CD1 4.11Å; F155-L568 HydrophobicContact CB-CD1 3.47Å; F155-L568 VanDerWaalsContact CB-CD1 3.47Å; F155-L568 HydrophobicContact CD1-CD1 4.17Å; F155-L568 HydrophobicContact CD1-CD2 3.66Å; F155-L568 HydrophobicContact CD2-CD1 4.26Å; F155-L568 HydrophobicContact CE1-CD2 4.01Å; F155-L568 HydrophobicContact CG-CD1 3.7Å; F155-L568 HydrophobicContact CG-CD2 4.01Å; V561-L568 HydrophobicContact CG1-CB 3.81Å; S565-L568 VanDerWaalsContact CB-O 3.29Å; S565-L568 WeakPolarHBondContact CB-O 3.2Å; S565-L568 PolarHBondContact OG-N 2.53Å; S565-L568 PolarHBondContact OG-O 2.96Å; L568-G611 CarbonylContact C-O 3.33Å; L568-G611 WeakPolarHBondContact CA-O 3.36Å
569	Q	96.4	Very high	93.6	Very high	64 Å²	64	69.7 Å²	69.7	30%	0.299	39%	0.389	S	S	.	.			trans	-141.8	131.3	177.5	-168.8	-177	21.8	0	0	108.7	L110 G611 H612	L110-Q569 WeakPolarHBondContact CD1-O 3.4Å; Q569-G611 PolarHBondContact N-O 3.11Å; Q569-H612 HydrophobicContact CB-CB 4.23Å; Q569-H612 PolarHBondContact OE1-CE1 3.48Å; Q569-H612 PolarHBondContact OE1-ND1 2.95Å; Q569-H612 VanDerWaalsContact OE1-ND1 3.11Å
570	L	94.6	Very high	93.8	Very high	98 Å²	98	76.1 Å²	76.1	51%	0.513	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-63.1	143.5	169.8	-68.1	177.6	0	0	0	109.9	L110 V561	L110-L570 HydrophobicContact CD2-CD2 3.95Å; V561-L570 HydrophobicContact CB-CD2 4.15Å; V561-L570 HydrophobicContact CB-CG 4.16Å; V561-L570 HydrophobicContact CG1-CG 4.28Å; V561-L570 HydrophobicContact CG2-CD2 4Å
571	L	93	Very high	94.1	Very high	29 Å²	29	71.6 Å²	71.6	15%	0.152	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-80.7	132.9	-179.1	-72	173.2	0	0	0	111.3	M107 L110 Q111 L613	M107-L571 HydrophobicContact CE-CD2 4.4Å; M107-L571 HydrophobicContact SD-CD1 3.71Å; M107-L571 HydrophobicContact SD-CD2 3.73Å; M107-L571 HydrophobicContact SD-CG 4Å; L110-L571 HydrophobicContact CB-CD1 4.26Å; L110-L571 HydrophobicContact CB-CG 4.38Å; Q111-L571 HydrophobicContact CB-CD1 4.48Å; Q111-L571 HydrophobicContact CG-CD1 3.45Å; Q111-L571 VanDerWaalsContact CG-CD1 3.45Å; L571-L613 HydrophobicContact CD2-CB 4.34Å; L571-L613 HydrophobicContact CD2-CD2 3.94Å
572	E	90.4	Very high	94.3	Very high	164 Å²	164	71.2 Å²	71.2	77%	0.766	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-86.9	137.5	166	-66	-175.4	170.7	0	0	109.9	F574	E572-F574 PolarHBondContact O-N 3.44Å
573	P	91.9	Very high	94.4	Very high	88 Å²	88	74.9 Å²	74.9	57%	0.571	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-58.4	133.3	174.7	-23.4	33.8	0	0	0	111.7
574	F	94.3	Very high	94.6	Very high	33 Å²	33	72 Å²	72	15%	0.145	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67.8	155.8	174.2	-68	-57.9	0	0	0	112.1	E572 L613 L679 R682 H683 N777	E572-F574 PolarHBondContact O-N 3.44Å; F574-L613 HydrophobicContact CE1-CD2 4.48Å; F574-L613 HydrophobicContact CZ-CD2 4.06Å; F574-L679 HydrophobicContact CE2-CD2 3.68Å; F574-L679 HydrophobicContact CZ-CD2 3.8Å; F574-R682 HydrophobicContact CD1-CG 3.79Å; F574-R682 HydrophobicContact CD2-CG 4.01Å; F574-R682 HydrophobicContact CE1-CB 4.33Å; F574-R682 HydrophobicContact CE1-CG 3.78Å; F574-R682 HydrophobicContact CE2-CG 4Å; F574-R682 HydrophobicContact CG-CG 3.92Å; F574-R682 HydrophobicContact CZ-CB 4.24Å; F574-R682 HydrophobicContact CZ-CG 3.88Å; F574-H683 HydrophobicContact CE1-CB 4.41Å; F574-N777 PolarHBondContact O-ND2 3.48Å
575	D	94.1	Very high	94.7	Very high	76 Å²	76	67 Å²	67	41%	0.406	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.9	135.8	178.4	60	-54.3	0	0	0	112.2	R682 R687 G773	D575-R682 PolarHBondContact O-NH2 3.45Å; D575-R682 IonicContact OD1-CZ 3.94Å; D575-R682 IonicContact OD1-NH1 3.7Å; D575-R682 PolarHBondContact OD1-NH1 2.96Å; D575-R682 IonicContact OD1-NH2 3.13Å; D575-R682 PolarHBondContact OD1-NH2 3.47Å; D575-R682 IonicContact OD2-NH2 3.77Å; D575-R687 IonicContact OD1-NH1 3.74Å; D575-R687 PolarHBondContact OD1-NH1 3.03Å; D575-R687 IonicContact OD1-NH2 3.36Å; D575-R687 IonicContact OD2-CZ 3.99Å; D575-R687 VanDerWaalsContact OD2-CZ 3.25Å; D575-R687 IonicContact OD2-NH1 2.82Å; D575-R687 PolarHBondContact OD2-NH1 2.81Å; D575-R687 IonicContact OD2-NH2 2.81Å; D575-R687 PolarHBondContact OD2-NH2 3.02Å; D575-G773 WeakPolarHBondContact O-CA 3.47Å
576	K	96.2	Very high	94.8	Very high	123 Å²	123	69.8 Å²	69.8	54%	0.535	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.4	149.5	175.1	-169.7	168.1	-176.7	152.3	0	110.5	N578 K771 E781	K576-N578 PolarHBondContact O-N 3.45Å; K576-K771 WeakPolarHBondContact CG-O 3.47Å; K576-E781 IonicContact NZ-OE1 3.91Å; K576-E781 PolarHBondContact NZ-OE1 2.62Å
577	W	95.9	Very high	94.9	Very high	54 Å²	54	66 Å²	66	21%	0.205	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.4	134.5	173.8	176.7	54.4	0	0	0	110.9	G579 R580 L733 F770 K771	W577-G579 VanDerWaalsContact C-N 3.27Å; W577-G579 VanDerWaalsContact CZ2-C 3.44Å; W577-G579 PolarHBondContact O-N 2.98Å; W577-R580 PolarHBondContact NE1-O 3.39Å; W577-L733 HydrophobicContact CZ2-CB 3.8Å; W577-F770 AromaticContact CD1-CZ 3.84Å; W577-F770 AromaticContact CD2-CE1 3.94Å; W577-F770 HydrophobicContact CD2-CE1 3.94Å; W577-F770 HydrophobicContact CD2-CZ 4.44Å; W577-F770 HydrophobicContact CE3-CE1 4.47Å; W577-F770 AromaticContact CG-CE1 3.96Å; W577-F770 HydrophobicContact CG-CE1 3.96Å; W577-F770 HydrophobicContact CG-CZ 4.08Å; W577-K771 WeakPolarHBondContact CB-O 3.47Å; W577-K771 HydrophobicContact CE3-CB 4.32Å; W577-K771 HydrophobicContact CE3-CG 3.81Å; W577-K771 HydrophobicContact CZ3-CG 4.05Å; W577-K771 PolarHBondContact N-O 3.08Å
578	N	92.6	Very high	95	Very high	97 Å²	97	64.9 Å²	64.9	52%	0.519	32%	0.318	S	S	.	.			trans	-84.3	6.3	-174	68.2	6.2	0	0	0	114.1	K576 R580	K576-N578 PolarHBondContact O-N 3.45Å; N578-R580 VanDerWaalsContact C-N 3.25Å; N578-R580 PolarHBondContact O-N 3.33Å; N578-R580 WeakPolarHBondContact OD1-CB 3.49Å; N578-R580 PolarHBondContact OD1-N 2.99Å
579	G	93.1	Very high	95.1	Very high	29 Å²	29	64.9 Å²	64.9	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	75	6.4	-179.6	0	0	0	0	0	115.4	W577 K734	W577-G579 VanDerWaalsContact C-N 3.27Å; W577-G579 VanDerWaalsContact CZ2-C 3.44Å; W577-G579 PolarHBondContact O-N 2.98Å; G579-K734 WeakPolarHBondContact O-CE 3.27Å
580	R	94.8	Very high	95.2	Very high	161 Å²	161	62.2 Å²	62.2	61%	0.608	31%	0.305	S	S	*	.	S	Bend	trans	-110.7	161.7	179.5	-62.2	-172.9	-70.2	175.3	-2.1	111.5	W577 N578	W577-R580 PolarHBondContact NE1-O 3.39Å; N578-R580 VanDerWaalsContact C-N 3.25Å; N578-R580 PolarHBondContact O-N 3.33Å; N578-R580 WeakPolarHBondContact OD1-CB 3.49Å; N578-R580 PolarHBondContact OD1-N 2.99Å
581	D	95.8	Very high	95.3	Very high	39 Å²	39	57.6 Å²	57.6	21%	0.209	28%	0.281	C	S	.	.			trans	-66.1	159.7	170	-73.6	-15.6	0	0	0	110.1	I730 T731 G732 L733	D581-I730 WeakPolarHBondContact CB-O 3.44Å; D581-T731 WeakPolarHBondContact OD2-CA 3.2Å; D581-G732 PolarHBondContact OD1-N 3.25Å; D581-G732 PolarHBondContact OD2-N 3.08Å; D581-L733 WeakPolarHBondContact OD1-CB 3.39Å; D581-L733 PolarHBondContact OD1-N 3.4Å
582	L	95.8	Very high	95.4	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	98.6	-179.5	-65.5	172.1	0	0	0	108.6	M585 R687 L709 S729 I730 L733	L582-M585 HydrophobicContact CB-CE 3.62Å; L582-M585 HydrophobicContact CB-CG 4.46Å; L582-M585 HydrophobicContact CB-SD 3.71Å; L582-M585 HydrophobicContact CD1-CE 4.29Å; L582-M585 HydrophobicContact CD1-SD 4.14Å; L582-M585 HydrophobicContact CG-SD 4.4Å; L582-R687 HydrophobicContact CD1-CB 3.88Å; L582-R687 HydrophobicContact CD2-CB 4.4Å; L582-R687 HydrophobicContact CD2-CG 4.29Å; L582-L709 HydrophobicContact CD1-CD1 3.68Å; L582-S729 CarbonylContact O-C 3.51Å; L582-S729 WeakPolarHBondContact O-CA 3.45Å; L582-I730 HydrophobicContact CB-CB 4.41Å; L582-I730 PolarHBondContact N-O 3.26Å; L582-I730 VanDerWaalsContact N-O 3.15Å; L582-I730 PolarHBondContact O-N 3.06Å; L582-L733 HydrophobicContact CB-CD1 4.41Å; L582-L733 HydrophobicContact CD1-CD1 3.99Å; L582-L733 HydrophobicContact CG-CD1 3.71Å
583	E	95.9	Very high	95.5	Very high	129 Å²	129	54.1 Å²	54.1	60%	0.603	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.2	-172	-64.4	171.1	-165	0	0	112.4	M585	E583-M585 VanDerWaalsContact C-N 3.26Å; E583-M585 PolarHBondContact O-N 3.18Å; E583-M585 VanDerWaalsContact O-N 3.09Å
584	D	94.8	Very high	95.5	Very high	83 Å²	83	53.8 Å²	53.8	44%	0.444	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.3	39.5	170.3	-73.1	-47.4	0	0	0	115.3	T727 S729	D584-T727 PolarHBondContact OD1-OG1 2.95Å; D584-S729 PolarHBondContact N-OG 3.43Å
585	M	97.2	Very high	95.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	143.7	177.9	-59.2	-177.6	-75.4	0	0	111.3	L582 E583 N659 V661 R687 T727 I728 I730	L582-M585 HydrophobicContact CB-CE 3.62Å; L582-M585 HydrophobicContact CB-CG 4.46Å; L582-M585 HydrophobicContact CB-SD 3.71Å; L582-M585 HydrophobicContact CD1-CE 4.29Å; L582-M585 HydrophobicContact CD1-SD 4.14Å; L582-M585 HydrophobicContact CG-SD 4.4Å; E583-M585 VanDerWaalsContact C-N 3.26Å; E583-M585 PolarHBondContact O-N 3.18Å; E583-M585 VanDerWaalsContact O-N 3.09Å; M585-N659 WeakPolarHBondContact CA-O 3.19Å; M585-N659 HydrophobicContact CG-CB 3.85Å; M585-N659 HydrophobicContact SD-CB 4.35Å; M585-V661 HydrophobicContact CB-CG1 4Å; M585-V661 HydrophobicContact CE-CG1 3.47Å; M585-V661 VanDerWaalsContact CE-CG1 3.47Å; M585-V661 HydrophobicContact CG-CG1 4.48Å; M585-V661 HydrophobicContact SD-CG1 3.61Å; M585-R687 HydrophobicContact SD-CB 3.73Å; M585-R687 HydrophobicContact SD-CG 4.22Å; M585-T727 CarbonylContact O-C 3.56Å; M585-T727 VanDerWaalsContact O-CA 3.3Å; M585-T727 WeakPolarHBondContact O-CA 3.33Å; M585-I728 WeakPolarHBondContact CB-O 3.19Å; M585-I728 PolarHBondContact N-O 3.33Å; M585-I728 PolarHBondContact O-N 3.09Å; M585-I730 HydrophobicContact CE-CB 4.31Å; M585-I730 HydrophobicContact CE-CD1 3.64Å; M585-I730 HydrophobicContact CE-CG1 3.69Å
586	R	97.3	Very high	95.4	Very high	68 Å²	68	48.7 Å²	48.7	26%	0.257	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	143.4	176.2	-66.5	-67.2	176.7	179.4	2.7	111.8	L588 Y653 V658 N659 W660 V661	R586-L588 PolarHBondContact O-N 3.37Å; R586-Y653 HydrophobicContact CB-CE2 4.11Å; R586-V658 HydrophobicContact CB-CG1 4.25Å; R586-V658 HydrophobicContact CG-CG1 3.62Å; R586-N659 PolarHBondContact N-O 2.79Å; R586-W660 HydrophobicContact CB-CB 4.5Å; R586-W660 CarbonylContact O-C 3.47Å; R586-W660 WeakPolarHBondContact O-CA 3.34Å; R586-W660 WeakPolarHBondContact O-CB 3.42Å; R586-V661 PolarHBondContact O-N 3.11Å
587	V	97.7	Very high	95.2	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.2	165	-179	0	0	0	0	107.9	K590 V661 V663 I722 I728	V587-K590 HydrophobicContact CG1-CB 4.4Å; V587-V661 HydrophobicContact CG2-CG2 4.21Å; V587-V663 HydrophobicContact CG1-CG2 4.17Å; V587-V663 HydrophobicContact CG2-CG2 4.41Å; V587-I722 HydrophobicContact CG2-CG2 4.18Å; V587-I728 HydrophobicContact CG2-CD1 3.86Å; V587-I728 HydrophobicContact CG2-CG1 4.2Å
588	L	97.9	Very high	94.9	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-45.1	177.6	174.4	64.8	0	0	0	110.8	R586 V646 V649 A650 Y653 W660 V661	R586-L588 PolarHBondContact O-N 3.37Å; L588-V646 HydrophobicContact CD1-CG1 4.44Å; L588-V646 HydrophobicContact CD2-CG1 3.91Å; L588-V646 HydrophobicContact CG-CG1 4.12Å; L588-V649 HydrophobicContact CD1-CB 4.27Å; L588-V649 HydrophobicContact CD1-CG1 3.95Å; L588-A650 HydrophobicContact CD1-CB 4.12Å; L588-A650 HydrophobicContact CD2-CB 3.89Å; L588-Y653 HydrophobicContact CD1-CD2 4.23Å; L588-Y653 HydrophobicContact CD1-CE2 4.17Å; L588-W660 HydrophobicContact CB-CB 4.16Å; L588-W660 HydrophobicContact CB-CD2 3.99Å; L588-W660 HydrophobicContact CB-CE3 3.86Å; L588-W660 HydrophobicContact CB-CG 4.15Å; L588-W660 HydrophobicContact CD2-CD2 3.84Å; L588-W660 HydrophobicContact CD2-CE3 3.81Å; L588-W660 HydrophobicContact CD2-CH2 3.88Å; L588-W660 HydrophobicContact CD2-CZ2 3.92Å; L588-W660 HydrophobicContact CD2-CZ3 3.86Å; L588-W660 HydrophobicContact CG-CD2 4.48Å; L588-W660 HydrophobicContact CG-CE3 4.5Å; L588-V661 PolarHBondContact N-O 2.82Å
589	I	98	Very high	95	Very high	3 Å²	3	39 Å²	39	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	137.1	176.6	-174.4	170.3	0	0	0	109.3	V591 L621 A624 N626 V635 V646 V662 V663	I589-V591 HydrophobicContact CD1-CG2 4.24Å; I589-V591 HydrophobicContact CG1-CG2 4.13Å; I589-V591 HydrophobicContact CG2-CG2 4.04Å; I589-L621 HydrophobicContact CG2-CD1 3.92Å; I589-A624 HydrophobicContact CD1-CB 4.02Å; I589-N626 HydrophobicContact CD1-CB 4.05Å; I589-N626 HydrophobicContact CG1-CB 4.18Å; I589-V635 HydrophobicContact CB-CG1 3.98Å; I589-V635 HydrophobicContact CD1-CG1 3.96Å; I589-V635 HydrophobicContact CG1-CG1 3.95Å; I589-V646 HydrophobicContact CD1-CG2 4.32Å; I589-V662 HydrophobicContact CG2-CG1 4.23Å; I589-V662 HydrophobicContact CG2-CG2 4.01Å; I589-V663 PolarHBondContact O-N 3.47Å; I589-V663 VanDerWaalsContact O-N 3.09Å
590	K	97.8	Very high	95.1	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.5	163.6	-174.1	175.5	-175.9	-170.1	0	107.8	V587 M627 V663 Y719 I722 P724	V587-K590 HydrophobicContact CG1-CB 4.4Å; K590-M627 HydrophobicContact CB-CB 4.27Å; K590-M627 HydrophobicContact CD-CB 4.41Å; K590-M627 HydrophobicContact CD-SD 3.51Å; K590-M627 VanDerWaalsContact CD-SD 3.51Å; K590-M627 WeakPolarHBondContact CE-SD 3.47Å; K590-M627 HydrophobicContact CG-CB 4.15Å; K590-M627 HydrophobicContact CG-SD 3.97Å; K590-M627 PolarHBondContact NZ-SD 2.87Å; K590-M627 VanDerWaalsContact O-CB 3.29Å; K590-M627 WeakPolarHBondContact O-CB 3.49Å; K590-M627 PolarHBondContact O-N 3.5Å; K590-V663 CarbonylContact C-O 3.55Å; K590-V663 WeakPolarHBondContact CA-O 3.32Å; K590-V663 HydrophobicContact CB-CB 4.4Å; K590-V663 HydrophobicContact CG-CB 4.12Å; K590-V663 HydrophobicContact CG-CG1 4.05Å; K590-Y719 VanDerWaalsContact CE-CZ 3.45Å; K590-Y719 WeakPolarHBondContact CE-O 3.29Å; K590-Y719 HydrophobicContact CG-CE2 4.23Å; K590-Y719 PolarHBondContact NZ-O 3.44Å; K590-I722 WeakPolarHBondContact CD-O 3.5Å; K590-I722 WeakPolarHBondContact CE-O 3.42Å; K590-I722 PolarHBondContact NZ-O 2.88Å; K590-P724 HydrophobicContact CB-CG 4.42Å
591	V	97.3	Very high	95.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-83.2	132.5	-174	-174.7	0	0	0	0	110.1	I589 C595 A624 V625 V662 V663 Y668 Y719	I589-V591 HydrophobicContact CD1-CG2 4.24Å; I589-V591 HydrophobicContact CG1-CG2 4.13Å; I589-V591 HydrophobicContact CG2-CG2 4.04Å; V591-C595 HydrophobicContact CG1-CB 3.79Å; V591-A624 HydrophobicContact CG1-CB 4.19Å; V591-A624 HydrophobicContact CG2-CB 4.11Å; V591-V625 WeakPolarHBondContact CA-O 3.46Å; V591-V662 HydrophobicContact CG2-CG1 4.24Å; V591-V663 PolarHBondContact N-O 2.88Å; V591-Y668 HydrophobicContact CG2-CE2 4.45Å; V591-Y719 PolarHBondContact O-OH 2.89Å
592	K	94.8	Very high	94.8	Very high	93 Å²	93	29.1 Å²	29.1	40%	0.404	15%	0.146	S	C	.	.			trans	-97.3	123.4	176.7	-173.7	-175.6	-174.7	-179.3	0	110.5	V625 M627 D630	K592-V625 HydrophobicContact CB-CG1 4.4Å; K592-V625 PolarHBondContact N-O 3.46Å; K592-M627 HydrophobicContact CB-CB 4.2Å; K592-D630 WeakPolarHBondContact CD-OD1 3.28Å; K592-D630 IonicContact NZ-OD1 3.87Å; K592-D630 PolarHBondContact NZ-OD1 2.95Å; K592-D630 IonicContact NZ-OD2 3.51Å
593	G	92.9	Very high	94.4	Very high	28 Å²	28	29 Å²	29	29%	0.289	15%	0.147	S	C	.	.	S	Bend	trans	68.6	-147.9	174.6	0	0	0	0	0	114.5	C595 D665	G593-C595 PolarHBondContact O-N 2.83Å; G593-D665 WeakPolarHBondContact CA-OD2 3.27Å; G593-D665 PolarHBondContact N-OD2 3.32Å; G593-D665 VanDerWaalsContact N-OD2 3.14Å
594	K	91.4	Very high	93.8	Very high	81 Å²	81	23.2 Å²	23.2	35%	0.352	12%	0.123	S	C	.	.			trans	-65.3	122	-170.1	-176.6	169.2	-177.1	153	0	112.2	F479 T596 E670	F479-K594 VanDerWaalsContact CE1-NZ 3.27Å; K594-T596 HydrophobicContact CD-CG2 4.26Å; K594-T596 VanDerWaalsContact CE-CG2 3.42Å; K594-T596 HydrophobicContact CG-CG2 4.03Å; K594-E670 VanDerWaalsContact CE-CD 3.46Å; K594-E670 WeakPolarHBondContact CE-OE1 3.36Å; K594-E670 WeakPolarHBondContact CE-OE2 3.38Å; K594-E670 IonicContact NZ-OE1 3.91Å; K594-E670 PolarHBondContact NZ-OE1 3.42Å; K594-E670 IonicContact NZ-OE2 3.83Å; K594-E670 PolarHBondContact NZ-OE2 2.94Å
595	C	94.4	Very high	93.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	13%	0.128	C	C	.	.			trans	-126	90.3	175.2	-162.4	0	0	0	0	111.4	V591 G593 Y668 G669	V591-C595 HydrophobicContact CG1-CB 3.79Å; G593-C595 PolarHBondContact O-N 2.83Å; C595-Y668 HydrophobicContact CB-CD2 3.65Å; C595-Y668 HydrophobicContact CB-CE2 3.82Å; C595-Y668 VanDerWaalsContact SG-CE2 3.56Å; C595-G669 PolarHBondContact O-N 3.11Å
596	T	92.8	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-76.5	165.2	174.5	75.1	0	0	0	0	111.9	F479 K594 D598 H599 I600 E670	F479-T596 HydrophobicContact CD2-CG2 4.33Å; F479-T596 HydrophobicContact CE2-CG2 4.28Å; F479-T596 HydrophobicContact CZ-CG2 4.49Å; K594-T596 HydrophobicContact CD-CG2 4.26Å; K594-T596 VanDerWaalsContact CE-CG2 3.42Å; K594-T596 HydrophobicContact CG-CG2 4.03Å; T596-D598 PolarHBondContact O-N 3.21Å; T596-D598 VanDerWaalsContact O-N 3.12Å; T596-D598 PolarHBondContact OG1-N 3.41Å; T596-H599 PolarHBondContact N-ND1 3.08Å; T596-H599 WeakPolarHBondContact O-CA 3.2Å; T596-H599 WeakPolarHBondContact O-CB 3.5Å; T596-H599 PolarHBondContact O-N 2.87Å; T596-H599 PolarHBondContact OG1-CE1 3.34Å; T596-H599 PolarHBondContact OG1-ND1 2.97Å; T596-I600 PolarHBondContact O-N 3.02Å; T596-E670 CarbonylContact C-O 3.47Å; T596-E670 WeakPolarHBondContact CA-O 3.5Å; T596-E670 WeakPolarHBondContact CB-O 3.31Å; T596-E670 HydrophobicContact CG2-CB 4.27Å
597	T	91.9	Very high	92.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-21.9	172.4	53.7	0	0	0	0	114.1	H599 I600 S601 G669 E670 S672 A677	T597-H599 VanDerWaalsContact C-N 3.34Å; T597-I600 PolarHBondContact O-N 3.12Å; T597-S601 CarbonylContact O-C 3.6Å; T597-S601 PolarHBondContact O-N 2.6Å; T597-S601 VanDerWaalsContact O-O 3.1Å; T597-G669 WeakPolarHBondContact CG2-O 3.4Å; T597-E670 PolarHBondContact N-O 3.33Å; T597-E670 PolarHBondContact OG1-O 3.26Å; T597-S672 WeakPolarHBondContact CG2-O 3.09Å; T597-S672 WeakPolarHBondContact OG1-CB 3.38Å; T597-S672 PolarHBondContact OG1-N 3.07Å; T597-S672 PolarHBondContact OG1-O 2.91Å; T597-A677 HydrophobicContact CG2-CB 4.32Å
598	D	89.6	Confident	92.6	Very high	29 Å²	29	27.5 Å²	27.5	16%	0.155	15%	0.146	C	C	.	.	H	α-helix	trans	-75.3	-24.2	173.5	-78	-79.5	0	0	0	112.2	R482 T596 A602 R674	R482-D598 IonicContact NH1-OD1 3.64Å; R482-D598 PolarHBondContact NH1-OD1 3.12Å; R482-D598 IonicContact NH1-OD2 3.39Å; R482-D598 PolarHBondContact NH1-OD2 3.47Å; T596-D598 PolarHBondContact O-N 3.21Å; T596-D598 VanDerWaalsContact O-N 3.12Å; T596-D598 PolarHBondContact OG1-N 3.41Å; D598-A602 WeakPolarHBondContact O-CA 3.45Å; D598-R674 VanDerWaalsContact CG-NH1 3.31Å; D598-R674 VanDerWaalsContact CG-NH2 3.3Å; D598-R674 IonicContact OD1-CZ 2.77Å; D598-R674 IonicContact OD1-NH1 3.25Å; D598-R674 PolarHBondContact OD1-NH1 3.42Å; D598-R674 IonicContact OD1-NH2 3.86Å; D598-R674 PolarHBondContact OD1-NH2 3.47Å; D598-R674 IonicContact OD2-CZ 2.69Å; D598-R674 IonicContact OD2-NH1 3.28Å; D598-R674 IonicContact OD2-NH2 2.7Å; D598-R674 PolarHBondContact OD2-NH2 3.49Å
599	H	93.6	Very high	92.5	Very high	41 Å²	41	29.2 Å²	29.2	19%	0.19	15%	0.154	C	C	.	.	H	α-helix	trans	-77.5	-33.7	170.1	-57.3	99.2	0	0	0	111.9	T596 T597 L621 G623	T596-H599 PolarHBondContact N-ND1 3.08Å; T596-H599 WeakPolarHBondContact O-CA 3.2Å; T596-H599 WeakPolarHBondContact O-CB 3.5Å; T596-H599 PolarHBondContact O-N 2.87Å; T596-H599 PolarHBondContact OG1-CE1 3.34Å; T596-H599 PolarHBondContact OG1-ND1 2.97Å; T597-H599 VanDerWaalsContact C-N 3.34Å; H599-L621 CarbonylContact O-C 3.59Å; H599-L621 VanDerWaalsContact O-CA 3.3Å; H599-L621 WeakPolarHBondContact O-CA 3.28Å; H599-G623 PolarHBondContact CD2-O 3.15Å; H599-G623 PolarHBondContact O-N 3.02Å; H599-G623 VanDerWaalsContact O-N 3.1Å
600	I	95.9	Very high	92.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-76.7	-48.3	179.2	-53.9	169.3	0	0	0	111.5	T596 T597 L620 L621 Y668 A677	T596-I600 PolarHBondContact O-N 3.02Å; T597-I600 PolarHBondContact O-N 3.12Å; I600-L620 HydrophobicContact CG2-CD1 4.36Å; I600-L620 CarbonylContact O-C 3.53Å; I600-L620 WeakPolarHBondContact O-CA 3.27Å; I600-L621 HydrophobicContact CB-CD2 4.28Å; I600-L621 HydrophobicContact CG1-CD2 3.91Å; I600-L621 HydrophobicContact CG2-CD2 4.3Å; I600-L621 HydrophobicContact CG2-CG 4.31Å; I600-L621 PolarHBondContact O-N 2.82Å; I600-Y668 HydrophobicContact CD1-CD1 4.24Å; I600-Y668 HydrophobicContact CD1-CE1 3.5Å; I600-Y668 VanDerWaalsContact CD1-CE1 3.5Å; I600-Y668 HydrophobicContact CD1-CE2 4.41Å; I600-Y668 HydrophobicContact CG1-CE1 4.44Å; I600-A677 HydrophobicContact CB-CB 4.18Å; I600-A677 HydrophobicContact CG2-CB 3.85Å
601	S	94.7	Very high	92.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-143.3	91.5	-177.7	170.6	0	0	0	0	108.9	T597 R610 N619 R674 E680	T597-S601 CarbonylContact O-C 3.6Å; T597-S601 PolarHBondContact O-N 2.6Å; T597-S601 VanDerWaalsContact O-O 3.1Å; S601-R610 PolarHBondContact OG-NH1 2.71Å; S601-N619 WeakPolarHBondContact CA-OD1 3.32Å; S601-R674 WeakPolarHBondContact O-CD 3.46Å; S601-R674 PolarHBondContact O-NH1 2.84Å; S601-E680 WeakPolarHBondContact CB-OE1 3.45Å; S601-E680 PolarHBondContact OG-OE1 3.31Å
602	A	89.5	Confident	92.2	Very high	21 Å²	21	29.8 Å²	29.8	17%	0.174	16%	0.156	C	C	.	.			trans	-60.1	153.1	-172.8	0	0	0	0	0	113	D598 W606 R610 N619	D598-A602 WeakPolarHBondContact O-CA 3.45Å; A602-W606 WeakPolarHBondContact O-CB 3.15Å; A602-R610 PolarHBondContact O-NH2 2.94Å; A602-N619 PolarHBondContact O-ND2 2.91Å
603	A	87.1	Confident	92.3	Very high	11 Å²	11	25.7 Å²	25.7	9%	0.091	14%	0.138	C	C	.	.			trans	-91.9	-134.9	174.1	0	0	0	0	0	111.3	P605 W606 L607	A603-P605 WeakPolarHBondContact O-CD 3.27Å; A603-W606 WeakPolarHBondContact O-CB 3.23Å; A603-W606 PolarHBondContact O-N 2.8Å; A603-W606 VanDerWaalsContact O-N 3.11Å; A603-L607 HydrophobicContact CB-CD2 4.1Å; A603-L607 HydrophobicContact CB-CG 4.42Å
604	G	84	Confident	92.5	Very high	9 Å²	9	26.6 Å²	26.6	9%	0.093	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	53	-118.1	178.1	0	0	0	0	0	112.6	Q456 W606 L607	Q456-G604 PolarHBondContact NE2-O 2.74Å; G604-W606 PolarHBondContact O-N 2.73Å; G604-W606 VanDerWaalsContact O-N 3.09Å; G604-L607 WeakPolarHBondContact O-CG 3.48Å; G604-L607 PolarHBondContact O-N 3.22Å; G604-L607 VanDerWaalsContact O-N 3.17Å
605	P	86.8	Confident	92.7	Very high	87 Å²	87	24.4 Å²	24.4	57%	0.565	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-64.3	-17	-176.2	28.4	-36.5	0	0	0	114.1	A603 K608	A603-P605 WeakPolarHBondContact O-CD 3.27Å; P605-K608 WeakPolarHBondContact O-CD 3.41Å; P605-K608 WeakPolarHBondContact O-CE 3.22Å; P605-K608 VanDerWaalsContact O-CG 3.29Å; P605-K608 WeakPolarHBondContact O-CG 3.2Å
606	W	91.2	Very high	92.9	Very high	55 Å²	55	24.3 Å²	24.3	21%	0.208	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-81.3	-14.2	180	-62.5	104.3	0	0	0	113.6	A602 A603 G604 K608 F609 N618 N619 I622	A602-W606 WeakPolarHBondContact O-CB 3.15Å; A603-W606 WeakPolarHBondContact O-CB 3.23Å; A603-W606 PolarHBondContact O-N 2.8Å; A603-W606 VanDerWaalsContact O-N 3.11Å; G604-W606 PolarHBondContact O-N 2.73Å; G604-W606 VanDerWaalsContact O-N 3.09Å; W606-K608 PolarHBondContact O-N 3.08Å; W606-K608 VanDerWaalsContact O-N 3.15Å; W606-F609 HydrophobicContact CE3-CD2 4.04Å; W606-F609 HydrophobicContact CZ3-CD2 4.4Å; W606-F609 PolarHBondContact O-N 2.83Å; W606-N618 HydrophobicContact CH2-CB 3.97Å; W606-N618 WeakPolarHBondContact CH2-O 3.49Å; W606-N618 HydrophobicContact CZ3-CB 3.95Å; W606-N619 WeakPolarHBondContact CB-ND2 3.47Å; W606-N619 HydrophobicContact CD2-CB 3.45Å; W606-N619 VanDerWaalsContact CD2-CB 3.45Å; W606-N619 HydrophobicContact CE3-CB 3.73Å; W606-N619 HydrophobicContact CG-CB 4Å; W606-N619 HydrophobicContact CH2-CB 3.8Å; W606-N619 HydrophobicContact CZ2-CB 3.53Å; W606-N619 HydrophobicContact CZ3-CB 3.9Å; W606-I622 HydrophobicContact CZ2-CD1 4.04Å
607	L	90.6	Very high	93.1	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.7	179.6	-63.2	178.8	0	0	0	112.7	A103 L131 I454 Q456 A603 G604 F609 R610	A103-L607 HydrophobicContact CB-CD2 4.26Å; L131-L607 HydrophobicContact CD2-CB 3.96Å; I454-L607 HydrophobicContact CD1-CD1 3.46Å; I454-L607 VanDerWaalsContact CD1-CD1 3.46Å; Q456-L607 HydrophobicContact CG-CD1 3.62Å; A603-L607 HydrophobicContact CB-CD2 4.1Å; A603-L607 HydrophobicContact CB-CG 4.42Å; G604-L607 WeakPolarHBondContact O-CG 3.48Å; G604-L607 PolarHBondContact O-N 3.22Å; G604-L607 VanDerWaalsContact O-N 3.17Å; L607-F609 PolarHBondContact O-N 3.47Å; L607-R610 HydrophobicContact CD2-CG 4.11Å; L607-R610 WeakPolarHBondContact O-CB 3.32Å; L607-R610 WeakPolarHBondContact O-CG 3.05Å; L607-R610 PolarHBondContact O-N 3.44Å
608	K	92.1	Very high	93.3	Very high	98 Å²	98	27.1 Å²	27.1	43%	0.426	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-60.3	-24.3	174.3	73.6	-168.5	176.1	174.2	0	113.2	R567 P605 W606	R567-K608 WeakPolarHBondContact CD-O 3.14Å; R567-K608 PolarHBondContact NE-O 2.6Å; P605-K608 WeakPolarHBondContact O-CD 3.41Å; P605-K608 WeakPolarHBondContact O-CE 3.22Å; P605-K608 VanDerWaalsContact O-CG 3.29Å; P605-K608 WeakPolarHBondContact O-CG 3.2Å; W606-K608 PolarHBondContact O-N 3.08Å; W606-K608 VanDerWaalsContact O-N 3.15Å
609	F	95.9	Very high	93.6	Very high	39 Å²	39	25.7 Å²	25.7	17%	0.171	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-103.6	12.7	-178.1	-58.6	-50.4	0	0	0	113.8	T566 W606 L607 G611 H612 N615 I616	T566-F609 VanDerWaalsContact O-CD1 3.25Å; T566-F609 WeakPolarHBondContact O-CD1 3.41Å; W606-F609 HydrophobicContact CE3-CD2 4.04Å; W606-F609 HydrophobicContact CZ3-CD2 4.4Å; W606-F609 PolarHBondContact O-N 2.83Å; L607-F609 PolarHBondContact O-N 3.47Å; F609-G611 PolarHBondContact O-N 2.83Å; F609-G611 VanDerWaalsContact O-N 3.12Å; F609-H612 CarbonylContact O-C 3.57Å; F609-H612 PolarHBondContact O-N 3.11Å; F609-H612 VanDerWaalsContact O-O 3.12Å; F609-N615 HydrophobicContact CB-CB 4.05Å; F609-N615 HydrophobicContact CD1-CB 3.83Å; F609-N615 HydrophobicContact CD2-CB 4.27Å; F609-N615 HydrophobicContact CE1-CB 4.27Å; F609-N615 HydrophobicContact CG-CB 3.82Å; F609-I616 HydrophobicContact CB-CB 3.98Å
610	R	94.8	Very high	93.8	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.019	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.8	-176.7	-78.1	-78.2	-177.3	-147.1	-13.3	114.5	A103 M107 S601 A602 L607 I616 H676	A103-R610 HydrophobicContact CB-CG 4.3Å; A103-R610 VanDerWaalsContact O-CB 3.28Å; A103-R610 WeakPolarHBondContact O-CB 3.39Å; A103-R610 WeakPolarHBondContact O-CD 3.44Å; A103-R610 WeakPolarHBondContact O-CG 3.34Å; M107-R610 WeakPolarHBondContact CE-O 3.22Å; S601-R610 PolarHBondContact OG-NH1 2.71Å; A602-R610 PolarHBondContact O-NH2 2.94Å; L607-R610 HydrophobicContact CD2-CG 4.11Å; L607-R610 WeakPolarHBondContact O-CB 3.32Å; L607-R610 WeakPolarHBondContact O-CG 3.05Å; L607-R610 PolarHBondContact O-N 3.44Å; R610-I616 HydrophobicContact CG-CD1 4.18Å; R610-H676 WeakPolarHBondContact CD-CE1 3.4Å; R610-H676 VanDerWaalsContact NH1-CB 3.31Å; R610-H676 PolarHBondContact NH1-ND1 3.09Å; R610-H676 PolarHBondContact O-NE2 3.46Å
611	G	95.8	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-90.1	-2.8	173	0	0	0	0	0	115.1	L110 R567 L568 Q569 F609	L110-G611 WeakPolarHBondContact CD1-O 3.44Å; R567-G611 CarbonylContact O-C 3.58Å; R567-G611 VanDerWaalsContact O-C 3.24Å; R567-G611 WeakPolarHBondContact O-CA 3.48Å; L568-G611 CarbonylContact C-O 3.33Å; L568-G611 WeakPolarHBondContact CA-O 3.36Å; Q569-G611 PolarHBondContact N-O 3.11Å; F609-G611 PolarHBondContact O-N 2.83Å; F609-G611 VanDerWaalsContact O-N 3.12Å
612	H	97.1	Very high	93.9	Very high	20 Å²	20	25.5 Å²	25.5	9%	0.093	14%	0.136	C	C	.	.			trans	-126.8	100.1	-174.1	-169.6	-46.4	0	0	0	110.8	S565 R567 Q569 F609 D614 N615 I616	S565-H612 PolarHBondContact O-CD2 2.75Å; R567-H612 PolarHBondContact O-N 2.94Å; Q569-H612 HydrophobicContact CB-CB 4.23Å; Q569-H612 PolarHBondContact OE1-CE1 3.48Å; Q569-H612 PolarHBondContact OE1-ND1 2.95Å; Q569-H612 VanDerWaalsContact OE1-ND1 3.11Å; F609-H612 CarbonylContact O-C 3.57Å; F609-H612 PolarHBondContact O-N 3.11Å; F609-H612 VanDerWaalsContact O-O 3.12Å; H612-D614 PolarHBondContact O-N 3.32Å; H612-N615 HydrophobicContact CB-CB 4.28Å; H612-N615 PolarHBondContact CD2-ND2 3.47Å; H612-N615 PolarHBondContact ND1-N 2.97Å; H612-N615 PolarHBondContact NE2-ND2 2.84Å; H612-N615 PolarHBondContact O-N 3.34Å; H612-I616 WeakPolarHBondContact O-CG2 3.44Å; H612-I616 PolarHBondContact O-N 3.29Å; H612-I616 VanDerWaalsContact O-N 3.1Å
613	L	96.4	Very high	94.1	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-41.6	-168.5	-177.6	55.5	0	0	0	113.3	M107 L571 F574 I616 S617 L679 E680 H683	M107-L613 HydrophobicContact CE-CB 4.29Å; L571-L613 HydrophobicContact CD2-CB 4.34Å; L571-L613 HydrophobicContact CD2-CD2 3.94Å; F574-L613 HydrophobicContact CE1-CD2 4.48Å; F574-L613 HydrophobicContact CZ-CD2 4.06Å; L613-I616 HydrophobicContact CD1-CG2 4.31Å; L613-I616 WeakPolarHBondContact O-CG2 3.35Å; L613-S617 WeakPolarHBondContact O-CB 3.19Å; L613-S617 PolarHBondContact O-N 3.14Å; L613-S617 VanDerWaalsContact O-N 3.09Å; L613-S617 PolarHBondContact O-OG 3.3Å; L613-L679 HydrophobicContact CD1-CB 3.56Å; L613-L679 HydrophobicContact CD2-CB 4.27Å; L613-L679 HydrophobicContact CD2-CD2 4.47Å; L613-E680 HydrophobicContact CD1-CG 4.34Å; L613-H683 HydrophobicContact CD2-CB 4.14Å; L613-H683 HydrophobicContact CG-CB 4.22Å
614	D	96.3	Very high	94.4	Very high	47 Å²	47	25 Å²	25	25%	0.251	13%	0.134	S	C	.	.	H	α-helix	trans	-67	-42.2	-179.6	-175.3	54.9	0	0	0	112.5	H612 S617 R651 H683	H612-D614 PolarHBondContact O-N 3.32Å; D614-S617 WeakPolarHBondContact O-CB 3.21Å; D614-S617 PolarHBondContact O-N 2.89Å; D614-R651 PolarHBondContact O-NH2 2.91Å; D614-R651 IonicContact OD1-CZ 2.87Å; D614-R651 VanDerWaalsContact OD1-CZ 3.31Å; D614-R651 IonicContact OD1-NH1 3.73Å; D614-R651 PolarHBondContact OD1-NH1 3.09Å; D614-R651 IonicContact OD1-NH2 2.64Å; D614-R651 PolarHBondContact OD1-NH2 3.34Å; D614-H683 IonicContact OD1-CE1 2.78Å; D614-H683 PolarHBondContact OD1-CE1 3.28Å; D614-H683 IonicContact OD1-NE2 3.82Å
615	N	97.1	Very high	95	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-42.9	178.6	-77.1	-19.5	0	0	0	112.8	T566 F609 H612 S617 N618	T566-N615 PolarHBondContact O-ND2 2.85Å; F609-N615 HydrophobicContact CB-CB 4.05Å; F609-N615 HydrophobicContact CD1-CB 3.83Å; F609-N615 HydrophobicContact CD2-CB 4.27Å; F609-N615 HydrophobicContact CE1-CB 4.27Å; F609-N615 HydrophobicContact CG-CB 3.82Å; H612-N615 HydrophobicContact CB-CB 4.28Å; H612-N615 PolarHBondContact CD2-ND2 3.47Å; H612-N615 PolarHBondContact ND1-N 2.97Å; H612-N615 PolarHBondContact NE2-ND2 2.84Å; H612-N615 PolarHBondContact O-N 3.34Å; N615-S617 VanDerWaalsContact C-N 3.3Å; N615-S617 PolarHBondContact O-N 3.42Å; N615-N618 WeakPolarHBondContact O-CB 3.45Å; N615-N618 PolarHBondContact O-N 3.37Å; N615-N618 PolarHBondContact O-ND2 2.85Å; N615-N618 VanDerWaalsContact O-ND2 3.16Å
616	I	96.8	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70	-29.6	178.9	-161.6	168.9	0	0	0	112	F609 R610 H612 L613 N618 N619 H676 E680	F609-I616 HydrophobicContact CB-CB 3.98Å; R610-I616 HydrophobicContact CG-CD1 4.18Å; H612-I616 WeakPolarHBondContact O-CG2 3.44Å; H612-I616 PolarHBondContact O-N 3.29Å; H612-I616 VanDerWaalsContact O-N 3.1Å; L613-I616 HydrophobicContact CD1-CG2 4.31Å; L613-I616 WeakPolarHBondContact O-CG2 3.35Å; I616-N618 PolarHBondContact O-N 2.86Å; I616-N619 PolarHBondContact O-N 2.88Å; I616-N619 PolarHBondContact O-OD1 3.07Å; I616-N619 VanDerWaalsContact O-OD1 3.08Å; I616-H676 HydrophobicContact CD1-CB 4.39Å; I616-E680 HydrophobicContact CG2-CG 4.14Å
617	S	97.4	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-59.7	-13.9	176.2	-61.6	0	0	0	0	114	L613 D614 N615 N619 L620 L684	L613-S617 WeakPolarHBondContact O-CB 3.19Å; L613-S617 PolarHBondContact O-N 3.14Å; L613-S617 VanDerWaalsContact O-N 3.09Å; L613-S617 PolarHBondContact O-OG 3.3Å; D614-S617 WeakPolarHBondContact O-CB 3.21Å; D614-S617 PolarHBondContact O-N 2.89Å; N615-S617 VanDerWaalsContact C-N 3.3Å; N615-S617 PolarHBondContact O-N 3.42Å; S617-N619 PolarHBondContact O-N 3.36Å; S617-L620 WeakPolarHBondContact O-CB 3.45Å; S617-L620 PolarHBondContact O-N 3.26Å; S617-L684 WeakPolarHBondContact O-CD1 3.5Å
618	N	97.3	Very high	95.8	Very high	60 Å²	60	26.5 Å²	26.5	32%	0.321	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-70.6	-0.1	171.1	-62.4	-40.2	0	0	0	113.8	W606 N615 I616 P647 R651	W606-N618 HydrophobicContact CH2-CB 3.97Å; W606-N618 WeakPolarHBondContact CH2-O 3.49Å; W606-N618 HydrophobicContact CZ3-CB 3.95Å; N615-N618 WeakPolarHBondContact O-CB 3.45Å; N615-N618 PolarHBondContact O-N 3.37Å; N615-N618 PolarHBondContact O-ND2 2.85Å; N615-N618 VanDerWaalsContact O-ND2 3.16Å; I616-N618 PolarHBondContact O-N 2.86Å; N618-P647 WeakPolarHBondContact O-CG 3.37Å; N618-R651 PolarHBondContact OD1-NE 3.09Å; N618-R651 PolarHBondContact OD1-NH2 3.15Å
619	N	96.1	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-110	6.3	172.5	79.1	19.1	0	0	0	114	S601 A602 W606 I616 S617 L621 I622 E680	S601-N619 WeakPolarHBondContact CA-OD1 3.32Å; A602-N619 PolarHBondContact O-ND2 2.91Å; W606-N619 WeakPolarHBondContact CB-ND2 3.47Å; W606-N619 HydrophobicContact CD2-CB 3.45Å; W606-N619 VanDerWaalsContact CD2-CB 3.45Å; W606-N619 HydrophobicContact CE3-CB 3.73Å; W606-N619 HydrophobicContact CG-CB 4Å; W606-N619 HydrophobicContact CH2-CB 3.8Å; W606-N619 HydrophobicContact CZ2-CB 3.53Å; W606-N619 HydrophobicContact CZ3-CB 3.9Å; I616-N619 PolarHBondContact O-N 2.88Å; I616-N619 PolarHBondContact O-OD1 3.07Å; I616-N619 VanDerWaalsContact O-OD1 3.08Å; S617-N619 PolarHBondContact O-N 3.36Å; N619-L621 PolarHBondContact O-N 3.21Å; N619-L621 VanDerWaalsContact O-N 3.07Å; N619-I622 HydrophobicContact CB-CD1 3.95Å; N619-I622 HydrophobicContact CB-CG1 4.41Å; N619-I622 WeakPolarHBondContact O-CG1 3.21Å; N619-I622 PolarHBondContact O-N 2.96Å; N619-E680 PolarHBondContact OD1-OE1 3.36Å; N619-E680 PolarHBondContact OD1-OE2 3.48Å
620	L	97.7	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-53.3	116.5	-179.7	174.7	63.5	0	0	0	111.1	I600 S617 I622 P647 A650 W660 E680 P681 L684	I600-L620 HydrophobicContact CG2-CD1 4.36Å; I600-L620 CarbonylContact O-C 3.53Å; I600-L620 WeakPolarHBondContact O-CA 3.27Å; S617-L620 WeakPolarHBondContact O-CB 3.45Å; S617-L620 PolarHBondContact O-N 3.26Å; L620-I622 PolarHBondContact O-N 3.28Å; L620-P647 HydrophobicContact CB-CG 4.36Å; L620-P647 WeakPolarHBondContact O-CD 3.3Å; L620-P647 WeakPolarHBondContact O-CG 3.39Å; L620-A650 HydrophobicContact CD2-CB 4.27Å; L620-W660 HydrophobicContact CD2-CH2 4.05Å; L620-W660 HydrophobicContact CD2-CZ2 4.08Å; L620-E680 HydrophobicContact CD1-CB 4.29Å; L620-P681 HydrophobicContact CD1-CB 4.44Å; L620-P681 HydrophobicContact CD1-CG 3.7Å; L620-L684 HydrophobicContact CB-CD1 3.98Å; L620-L684 HydrophobicContact CD2-CB 4.1Å; L620-L684 HydrophobicContact CD2-CD1 3.56Å; L620-L684 HydrophobicContact CD2-CG 4.35Å; L620-L684 HydrophobicContact CG-CD1 4.4Å
621	L	96.7	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	20.2	172.9	-73.2	161	0	0	0	114.8	I589 H599 I600 N619 G623 A624 V646 V662	I589-L621 HydrophobicContact CG2-CD1 3.92Å; H599-L621 CarbonylContact O-C 3.59Å; H599-L621 VanDerWaalsContact O-CA 3.3Å; H599-L621 WeakPolarHBondContact O-CA 3.28Å; I600-L621 HydrophobicContact CB-CD2 4.28Å; I600-L621 HydrophobicContact CG1-CD2 3.91Å; I600-L621 HydrophobicContact CG2-CD2 4.3Å; I600-L621 HydrophobicContact CG2-CG 4.31Å; I600-L621 PolarHBondContact O-N 2.82Å; N619-L621 PolarHBondContact O-N 3.21Å; N619-L621 VanDerWaalsContact O-N 3.07Å; L621-G623 PolarHBondContact O-N 3.06Å; L621-G623 VanDerWaalsContact O-N 3.14Å; L621-A624 HydrophobicContact CB-CB 4.28Å; L621-A624 HydrophobicContact CD2-CB 3.72Å; L621-A624 PolarHBondContact O-N 3.24Å; L621-A624 VanDerWaalsContact O-N 3.07Å; L621-V646 HydrophobicContact CB-CB 4.34Å; L621-V646 HydrophobicContact CB-CG1 3.73Å; L621-V646 HydrophobicContact CD1-CG1 4.48Å; L621-V662 HydrophobicContact CD1-CG2 3.73Å
622	I	95.5	Very high	95.7	Very high	36 Å²	36	31.8 Å²	31.8	19%	0.185	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.6	180	69.1	173.7	0	0	0	112.8	W606 N619 L620 V632 N633 P647	W606-I622 HydrophobicContact CZ2-CD1 4.04Å; N619-I622 HydrophobicContact CB-CD1 3.95Å; N619-I622 HydrophobicContact CB-CG1 4.41Å; N619-I622 WeakPolarHBondContact O-CG1 3.21Å; N619-I622 PolarHBondContact O-N 2.96Å; L620-I622 PolarHBondContact O-N 3.28Å; I622-V632 WeakPolarHBondContact O-CG1 3.43Å; I622-N633 HydrophobicContact CB-CB 4.15Å; I622-N633 WeakPolarHBondContact O-CB 3.23Å; I622-P647 HydrophobicContact CG2-CG 3.66Å
623	G	92.6	Very high	95.6	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.9	175.1	0	0	0	0	0	113.6	H599 L621	H599-G623 PolarHBondContact CD2-O 3.15Å; H599-G623 PolarHBondContact O-N 3.02Å; H599-G623 VanDerWaalsContact O-N 3.1Å; L621-G623 PolarHBondContact O-N 3.06Å; L621-G623 VanDerWaalsContact O-N 3.14Å
624	A	94.9	Very high	95.6	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-72.8	140.7	-175.2	0	0	0	0	0	111.5	I589 V591 L621	I589-A624 HydrophobicContact CD1-CB 4.02Å; V591-A624 HydrophobicContact CG1-CB 4.19Å; V591-A624 HydrophobicContact CG2-CB 4.11Å; L621-A624 HydrophobicContact CB-CB 4.28Å; L621-A624 HydrophobicContact CD2-CB 3.72Å; L621-A624 PolarHBondContact O-N 3.24Å; L621-A624 VanDerWaalsContact O-N 3.07Å
625	V	95.6	Very high	95.7	Very high	48 Å²	48	36.4 Å²	36.4	29%	0.291	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-86.1	119.6	176.8	-177.4	0	0	0	0	109	V591 K592 V632	V591-V625 WeakPolarHBondContact CA-O 3.46Å; K592-V625 HydrophobicContact CB-CG1 4.4Å; K592-V625 PolarHBondContact N-O 3.46Å; V625-V632 HydrophobicContact CG2-CG2 3.94Å
626	N	96.6	Very high	95.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.011	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-78.3	128.1	177.4	179.7	12.7	0	0	0	110.7	I589 E628 N629 D630 A631 K634 V635	I589-N626 HydrophobicContact CD1-CB 4.05Å; I589-N626 HydrophobicContact CG1-CB 4.18Å; N626-E628 VanDerWaalsContact C-N 3.26Å; N626-E628 PolarHBondContact O-N 3.38Å; N626-E628 PolarHBondContact OD1-N 2.99Å; N626-E628 VanDerWaalsContact OD1-N 3.11Å; N626-N629 WeakPolarHBondContact CB-OD1 3.41Å; N626-N629 PolarHBondContact ND2-OD1 2.96Å; N626-D630 VanDerWaalsContact O-CA 3.26Å; N626-D630 WeakPolarHBondContact O-CA 3.32Å; N626-D630 PolarHBondContact O-N 3.17Å; N626-A631 WeakPolarHBondContact CB-O 3.38Å; N626-A631 PolarHBondContact N-O 3.18Å; N626-K634 PolarHBondContact ND2-O 2.69Å; N626-V635 HydrophobicContact CB-CG1 4.44Å
627	M	95.3	Very high	95.7	Very high	67 Å²	67	38.2 Å²	38.2	33%	0.33	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.8	178.6	-170	175.5	-163.7	0	0	113.3	K590 K592 N629 Y719	K590-M627 HydrophobicContact CB-CB 4.27Å; K590-M627 HydrophobicContact CD-CB 4.41Å; K590-M627 HydrophobicContact CD-SD 3.51Å; K590-M627 VanDerWaalsContact CD-SD 3.51Å; K590-M627 WeakPolarHBondContact CE-SD 3.47Å; K590-M627 HydrophobicContact CG-CB 4.15Å; K590-M627 HydrophobicContact CG-SD 3.97Å; K590-M627 PolarHBondContact NZ-SD 2.87Å; K590-M627 VanDerWaalsContact O-CB 3.29Å; K590-M627 WeakPolarHBondContact O-CB 3.49Å; K590-M627 PolarHBondContact O-N 3.5Å; K592-M627 HydrophobicContact CB-CB 4.2Å; M627-N629 PolarHBondContact O-N 3.4Å; M627-Y719 HydrophobicContact CE-CE1 3.97Å; M627-Y719 HydrophobicContact SD-CE1 3.9Å; M627-Y719 PolarHBondContact SD-OH 2.81Å; M627-Y719 VanDerWaalsContact SD-OH 3.4Å
628	E	94.3	Very high	95.5	Very high	71 Å²	71	40 Å²	40	33%	0.332	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.1	-177.1	-168.3	-178.1	-167	0	0	113	N626 Y643 P724	N626-E628 VanDerWaalsContact C-N 3.26Å; N626-E628 PolarHBondContact O-N 3.38Å; N626-E628 PolarHBondContact OD1-N 2.99Å; N626-E628 VanDerWaalsContact OD1-N 3.11Å; E628-Y643 PolarHBondContact OE1-OH 3.45Å; E628-P724 HydrophobicContact CB-CB 4.41Å; E628-P724 HydrophobicContact CB-CG 3.99Å; E628-P724 HydrophobicContact CG-CG 4.32Å
629	N	94.6	Very high	95.3	Very high	48 Å²	48	41 Å²	41	26%	0.257	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.6	6.4	-168.3	63.1	13.5	0	0	0	114.4	N626 M627 A631 K634 Y643	N626-N629 WeakPolarHBondContact CB-OD1 3.41Å; N626-N629 PolarHBondContact ND2-OD1 2.96Å; M627-N629 PolarHBondContact O-N 3.4Å; N629-A631 PolarHBondContact O-N 3.41Å; N629-A631 VanDerWaalsContact OD1-CB 3.29Å; N629-A631 WeakPolarHBondContact OD1-CB 3.3Å; N629-A631 PolarHBondContact OD1-N 3.3Å; N629-K634 PolarHBondContact ND2-O 3.14Å; N629-Y643 WeakPolarHBondContact ND2-CE1 3.39Å
630	D	94.3	Very high	95.3	Very high	99 Å²	99	44.2 Å²	44.2	53%	0.529	24%	0.239	S	C	.	.	S	Bend	trans	53.6	19.1	-175.6	-71.1	-55.9	0	0	0	114.3	K592 N626	K592-D630 WeakPolarHBondContact CD-OD1 3.28Å; K592-D630 IonicContact NZ-OD1 3.87Å; K592-D630 PolarHBondContact NZ-OD1 2.95Å; K592-D630 IonicContact NZ-OD2 3.51Å; N626-D630 VanDerWaalsContact O-CA 3.26Å; N626-D630 WeakPolarHBondContact O-CA 3.32Å; N626-D630 PolarHBondContact O-N 3.17Å
631	A	94.1	Very high	95.1	Very high	28 Å²	28	46.2 Å²	46.2	23%	0.231	26%	0.259	C	S	.	.			trans	-100.1	153.2	-178.2	0	0	0	0	0	111.8	N626 N629 K634	N626-A631 WeakPolarHBondContact CB-O 3.38Å; N626-A631 PolarHBondContact N-O 3.18Å; N629-A631 PolarHBondContact O-N 3.41Å; N629-A631 VanDerWaalsContact OD1-CB 3.29Å; N629-A631 WeakPolarHBondContact OD1-CB 3.3Å; N629-A631 PolarHBondContact OD1-N 3.3Å; A631-K634 HydrophobicContact CB-CB 3.96Å; A631-K634 HydrophobicContact CB-CD 4.38Å
632	V	93.6	Very high	95.1	Very high	78 Å²	78	52.9 Å²	52.9	47%	0.473	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-96.6	137.9	175.4	173.7	0	0	0	0	109.1	I622 V625 K634	I622-V632 WeakPolarHBondContact O-CG1 3.43Å; V625-V632 HydrophobicContact CG2-CG2 3.94Å; V632-K634 VanDerWaalsContact C-N 3.27Å; V632-K634 PolarHBondContact O-N 3.07Å
633	N	95.6	Very high	95.1	Very high	60 Å²	60	56.3 Å²	56.3	32%	0.321	30%	0.301	S	S	.	.	S	Bend	trans	53.2	37.3	-177.9	-162.4	26.7	0	0	0	114.7	I622 G645 V646	I622-N633 HydrophobicContact CB-CB 4.15Å; I622-N633 WeakPolarHBondContact O-CB 3.23Å; N633-G645 WeakPolarHBondContact OD1-CA 3.41Å; N633-V646 PolarHBondContact OD1-N 3.22Å
634	K	96.4	Very high	95.3	Very high	108 Å²	108	56.6 Å²	56.6	47%	0.47	30%	0.304	S	S	.	.			trans	-142.1	99.6	-179.6	-167.8	176.3	-176.7	179.3	0	111.3	N626 N629 A631 V632 Y643 G644	N626-K634 PolarHBondContact ND2-O 2.69Å; N629-K634 PolarHBondContact ND2-O 3.14Å; A631-K634 HydrophobicContact CB-CB 3.96Å; A631-K634 HydrophobicContact CB-CD 4.38Å; V632-K634 VanDerWaalsContact C-N 3.27Å; V632-K634 PolarHBondContact O-N 3.07Å; K634-Y643 HydrophobicContact CG-CD1 3.99Å; K634-Y643 HydrophobicContact CG-CG 4.42Å; K634-G644 WeakPolarHBondContact CA-O 3.26Å
635	V	97.1	Very high	95.4	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.7	-178.6	-64.6	0	0	0	0	110.9	I589 N626 Y643 G644 V646 V649	I589-V635 HydrophobicContact CB-CG1 3.98Å; I589-V635 HydrophobicContact CD1-CG1 3.96Å; I589-V635 HydrophobicContact CG1-CG1 3.95Å; N626-V635 HydrophobicContact CB-CG1 4.44Å; V635-Y643 WeakPolarHBondContact O-CA 3.41Å; V635-G644 PolarHBondContact N-O 3.09Å; V635-G644 PolarHBondContact O-N 3.05Å; V635-V646 HydrophobicContact CG1-CG2 3.72Å; V635-V646 HydrophobicContact CG2-CB 4.44Å; V635-V646 HydrophobicContact CG2-CG2 4.02Å; V635-V649 HydrophobicContact CG2-CB 4Å; V635-V649 HydrophobicContact CG2-CG1 4.34Å; V635-V649 HydrophobicContact CG2-CG2 3.91Å
636	K	97	Very high	95.5	Very high	65 Å²	65	54.6 Å²	54.6	28%	0.283	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.3	178	-170.7	-178.5	178.5	-170.2	0	110.1	Q638 Y643	K636-Q638 PolarHBondContact O-N 3.49Å; K636-Q638 VanDerWaalsContact O-N 3.16Å; K636-Y643 HydrophobicContact CB-CD1 4.11Å; K636-Y643 HydrophobicContact CB-CE1 3.81Å; K636-Y643 HydrophobicContact CB-CE2 4.38Å; K636-Y643 HydrophobicContact CD-CE2 4.49Å; K636-Y643 HydrophobicContact CG-CE2 4.35Å
637	N	96.7	Very high	95.5	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.048	29%	0.294	C	S	.	.			trans	-73.3	104.7	166.8	-178.5	-22.2	0	0	0	108.8	L639 T640 G641 E642 V649 F652 Y653	N637-L639 PolarHBondContact O-N 3.02Å; N637-L639 WeakPolarHBondContact OD1-CB 3.4Å; N637-L639 PolarHBondContact OD1-N 3.4Å; N637-T640 WeakPolarHBondContact CB-OG1 3.41Å; N637-T640 PolarHBondContact O-N 3.42Å; N637-T640 PolarHBondContact OD1-N 3.01Å; N637-G641 WeakPolarHBondContact O-CA 3.22Å; N637-G641 PolarHBondContact O-N 2.88Å; N637-E642 PolarHBondContact N-O 2.81Å; N637-V649 HydrophobicContact CB-CG1 4.02Å; N637-V649 HydrophobicContact CB-CG2 4.07Å; N637-F652 WeakPolarHBondContact ND2-CD1 3.34Å; N637-F652 WeakPolarHBondContact ND2-CE1 3.31Å; N637-F652 WeakPolarHBondContact ND2-CG 3.17Å; N637-Y653 WeakPolarHBondContact OD1-CE1 3.23Å
638	Q	93.8	Very high	95.6	Very high	38 Å²	38	56.4 Å²	56.4	18%	0.178	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12	-178.6	-57	-60.7	-6.3	0	0	115.2	K636 Y653 P724	K636-Q638 PolarHBondContact O-N 3.49Å; K636-Q638 VanDerWaalsContact O-N 3.16Å; Q638-Y653 PolarHBondContact N-OH 3.41Å; Q638-P724 PolarHBondContact NE2-O 3.35Å
639	L	93.5	Very high	95.8	Very high	79 Å²	79	53.3 Å²	53.3	41%	0.414	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-33.5	175.9	-61.5	179.6	0	0	0	112.9	N637 F652 Y653 V658	N637-L639 PolarHBondContact O-N 3.02Å; N637-L639 WeakPolarHBondContact OD1-CB 3.4Å; N637-L639 PolarHBondContact OD1-N 3.4Å; L639-F652 HydrophobicContact CB-CE1 4.04Å; L639-F652 HydrophobicContact CD1-CD1 4.34Å; L639-F652 HydrophobicContact CD1-CE1 3.81Å; L639-Y653 HydrophobicContact CD1-CD1 4.05Å; L639-Y653 HydrophobicContact CD1-CE1 4.05Å; L639-Y653 HydrophobicContact CG-CD1 4.49Å; L639-Y653 HydrophobicContact CG-CE1 4Å; L639-V658 HydrophobicContact CD1-CG2 4Å
640	T	95.5	Very high	96	Very high	69 Å²	69	51 Å²	51	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-21	-179.8	65.7	0	0	0	0	112.9	N637 E642 F652	N637-T640 WeakPolarHBondContact CB-OG1 3.41Å; N637-T640 PolarHBondContact O-N 3.42Å; N637-T640 PolarHBondContact OD1-N 3.01Å; T640-E642 PolarHBondContact O-N 2.98Å; T640-E642 PolarHBondContact OG1-N 3.39Å; T640-F652 HydrophobicContact CG2-CE1 4.14Å; T640-F652 HydrophobicContact CG2-CE2 4.3Å; T640-F652 HydrophobicContact CG2-CZ 3.73Å
641	G	93.9	Very high	96.1	Very high	41 Å²	41	49.3 Å²	49.3	42%	0.423	27%	0.265	S	S	.	.			trans	80.6	-4.2	-172.5	0	0	0	0	0	114.5	N637	N637-G641 WeakPolarHBondContact O-CA 3.22Å; N637-G641 PolarHBondContact O-N 2.88Å
642	E	95.9	Very high	96.3	Very high	141 Å²	141	51.6 Å²	51.6	66%	0.659	27%	0.269	S	S	*	.			trans	-89.7	151.8	-176.1	-62.2	-175.6	162.9	0	0	112.6	N637 T640	N637-E642 PolarHBondContact N-O 2.81Å; T640-E642 PolarHBondContact O-N 2.98Å; T640-E642 PolarHBondContact OG1-N 3.39Å
643	Y	96.4	Very high	96.5	Very high	108 Å²	108	48 Å²	48	42%	0.424	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.7	173.2	-76.9	-92.8	0	0	0	111.2	E628 N629 K634 V635 K636	E628-Y643 PolarHBondContact OE1-OH 3.45Å; N629-Y643 WeakPolarHBondContact ND2-CE1 3.39Å; K634-Y643 HydrophobicContact CG-CD1 3.99Å; K634-Y643 HydrophobicContact CG-CG 4.42Å; V635-Y643 WeakPolarHBondContact O-CA 3.41Å; K636-Y643 HydrophobicContact CB-CD1 4.11Å; K636-Y643 HydrophobicContact CB-CE1 3.81Å; K636-Y643 HydrophobicContact CB-CE2 4.38Å; K636-Y643 HydrophobicContact CD-CE2 4.49Å; K636-Y643 HydrophobicContact CG-CE2 4.35Å
644	G	95.9	Very high	96.6	Very high	25 Å²	25	49.8 Å²	49.8	26%	0.258	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-179.1	177.6	0	0	0	0	0	113.1	K634 V635	K634-G644 WeakPolarHBondContact CA-O 3.26Å; V635-G644 PolarHBondContact N-O 3.09Å; V635-G644 PolarHBondContact O-N 3.05Å
645	G	96.9	Very high	96.6	Very high	9 Å²	9	48.8 Å²	48.8	9%	0.093	26%	0.264	C	S	.	.			trans	-64.9	147.1	171.5	0	0	0	0	0	111.4	N633 D648 V649	N633-G645 WeakPolarHBondContact OD1-CA 3.41Å; G645-D648 PolarHBondContact O-N 2.99Å; G645-V649 WeakPolarHBondContact O-CG2 3.29Å; G645-V649 PolarHBondContact O-N 2.62Å
646	V	97.6	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-45.4	-179.5	-176.9	0	0	0	0	112.1	L588 I589 L621 N633 V635 D648 A650	L588-V646 HydrophobicContact CD1-CG1 4.44Å; L588-V646 HydrophobicContact CD2-CG1 3.91Å; L588-V646 HydrophobicContact CG-CG1 4.12Å; I589-V646 HydrophobicContact CD1-CG2 4.32Å; L621-V646 HydrophobicContact CB-CB 4.34Å; L621-V646 HydrophobicContact CB-CG1 3.73Å; L621-V646 HydrophobicContact CD1-CG1 4.48Å; N633-V646 PolarHBondContact OD1-N 3.22Å; V635-V646 HydrophobicContact CG1-CG2 3.72Å; V635-V646 HydrophobicContact CG2-CB 4.44Å; V635-V646 HydrophobicContact CG2-CG2 4.02Å; V646-D648 VanDerWaalsContact C-N 3.34Å; V646-D648 PolarHBondContact O-N 3.11Å; V646-A650 WeakPolarHBondContact O-CB 3.41Å; V646-A650 PolarHBondContact O-N 2.87Å
647	P	97.7	Very high	96.5	Very high	4 Å²	4	53 Å²	53	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-38	176.6	-21	32.9	0	0	0	113.1	N618 L620 I622 A650 R651	N618-P647 WeakPolarHBondContact O-CG 3.37Å; L620-P647 HydrophobicContact CB-CG 4.36Å; L620-P647 WeakPolarHBondContact O-CD 3.3Å; L620-P647 WeakPolarHBondContact O-CG 3.39Å; I622-P647 HydrophobicContact CG2-CG 3.66Å; P647-A650 PolarHBondContact O-N 2.94Å; P647-R651 WeakPolarHBondContact O-CB 3.39Å; P647-R651 WeakPolarHBondContact O-CG 3.42Å; P647-R651 PolarHBondContact O-N 2.93Å
648	D	97.5	Very high	96.5	Very high	103 Å²	103	54 Å²	54	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-67	-44.9	-177.9	-57	-42.4	0	0	0	110.9	G645 V646 R651 F652	G645-D648 PolarHBondContact O-N 2.99Å; V646-D648 VanDerWaalsContact C-N 3.34Å; V646-D648 PolarHBondContact O-N 3.11Å; D648-R651 PolarHBondContact O-N 3.26Å; D648-F652 WeakPolarHBondContact O-CB 3.35Å; D648-F652 PolarHBondContact O-N 3.27Å
649	V	97.8	Very high	96.6	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-40.3	176.3	177.7	0	0	0	0	110.9	L588 V635 N637 G645 F652 Y653	L588-V649 HydrophobicContact CD1-CB 4.27Å; L588-V649 HydrophobicContact CD1-CG1 3.95Å; V635-V649 HydrophobicContact CG2-CB 4Å; V635-V649 HydrophobicContact CG2-CG1 4.34Å; V635-V649 HydrophobicContact CG2-CG2 3.91Å; N637-V649 HydrophobicContact CB-CG1 4.02Å; N637-V649 HydrophobicContact CB-CG2 4.07Å; G645-V649 WeakPolarHBondContact O-CG2 3.29Å; G645-V649 PolarHBondContact O-N 2.62Å; V649-F652 WeakPolarHBondContact O-CB 3.29Å; V649-F652 PolarHBondContact O-N 3.25Å; V649-Y653 HydrophobicContact CG1-CD2 4.17Å; V649-Y653 HydrophobicContact CG1-CE1 4.26Å; V649-Y653 HydrophobicContact CG1-CE2 3.7Å; V649-Y653 PolarHBondContact O-N 3.32Å
650	A	97.9	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-42.3	175.7	0	0	0	0	0	112.3	L588 L620 V646 P647 Y653 K654 W660 L684	L588-A650 HydrophobicContact CD1-CB 4.12Å; L588-A650 HydrophobicContact CD2-CB 3.89Å; L620-A650 HydrophobicContact CD2-CB 4.27Å; V646-A650 WeakPolarHBondContact O-CB 3.41Å; V646-A650 PolarHBondContact O-N 2.87Å; P647-A650 PolarHBondContact O-N 2.94Å; A650-Y653 PolarHBondContact O-N 3.44Å; A650-K654 PolarHBondContact O-N 3.19Å; A650-W660 HydrophobicContact CB-CZ2 4.31Å; A650-L684 HydrophobicContact CB-CB 4.04Å; A650-L684 HydrophobicContact CB-CD1 4.2Å
651	R	97.9	Very high	97	Very high	64 Å²	64	47.7 Å²	47.7	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-42.1	173	-76.1	-178.8	-175.9	-70.3	-1.8	111.8	D614 N618 P647 D648 Y653 K654 A655 L684	D614-R651 PolarHBondContact O-NH2 2.91Å; D614-R651 IonicContact OD1-CZ 2.87Å; D614-R651 VanDerWaalsContact OD1-CZ 3.31Å; D614-R651 IonicContact OD1-NH1 3.73Å; D614-R651 PolarHBondContact OD1-NH1 3.09Å; D614-R651 IonicContact OD1-NH2 2.64Å; D614-R651 PolarHBondContact OD1-NH2 3.34Å; N618-R651 PolarHBondContact OD1-NE 3.09Å; N618-R651 PolarHBondContact OD1-NH2 3.15Å; P647-R651 WeakPolarHBondContact O-CB 3.39Å; P647-R651 WeakPolarHBondContact O-CG 3.42Å; P647-R651 PolarHBondContact O-N 2.93Å; D648-R651 PolarHBondContact O-N 3.26Å; R651-Y653 VanDerWaalsContact C-N 3.34Å; R651-Y653 PolarHBondContact O-N 3.09Å; R651-K654 PolarHBondContact O-N 3.23Å; R651-A655 WeakPolarHBondContact O-CB 3.25Å; R651-A655 PolarHBondContact O-N 3.48Å; R651-L684 HydrophobicContact CG-CD2 3.52Å
652	F	97.9	Very high	97.2	Very high	76 Å²	76	45.8 Å²	45.8	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-45.2	175.9	-174.5	-87.1	0	0	0	111.3	N637 L639 T640 D648 V649 A655 N656	N637-F652 WeakPolarHBondContact ND2-CD1 3.34Å; N637-F652 WeakPolarHBondContact ND2-CE1 3.31Å; N637-F652 WeakPolarHBondContact ND2-CG 3.17Å; L639-F652 HydrophobicContact CB-CE1 4.04Å; L639-F652 HydrophobicContact CD1-CD1 4.34Å; L639-F652 HydrophobicContact CD1-CE1 3.81Å; T640-F652 HydrophobicContact CG2-CE1 4.14Å; T640-F652 HydrophobicContact CG2-CE2 4.3Å; T640-F652 HydrophobicContact CG2-CZ 3.73Å; D648-F652 WeakPolarHBondContact O-CB 3.35Å; D648-F652 PolarHBondContact O-N 3.27Å; V649-F652 WeakPolarHBondContact O-CB 3.29Å; V649-F652 PolarHBondContact O-N 3.25Å; F652-A655 PolarHBondContact O-N 3.26Å; F652-N656 WeakPolarHBondContact CE1-ND2 3.08Å; F652-N656 PolarHBondContact O-N 3.29Å; F652-N656 VanDerWaalsContact O-N 3.13Å; F652-N656 PolarHBondContact O-ND2 3.44Å
653	Y	97.9	Very high	97.3	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-47	175.2	-70.7	-18.6	0	0	0	112.4	R586 L588 N637 Q638 L639 V649 A650 R651 A655 N656 G657 V658 W660	R586-Y653 HydrophobicContact CB-CE2 4.11Å; L588-Y653 HydrophobicContact CD1-CD2 4.23Å; L588-Y653 HydrophobicContact CD1-CE2 4.17Å; N637-Y653 WeakPolarHBondContact OD1-CE1 3.23Å; Q638-Y653 PolarHBondContact N-OH 3.41Å; L639-Y653 HydrophobicContact CD1-CD1 4.05Å; L639-Y653 HydrophobicContact CD1-CE1 4.05Å; L639-Y653 HydrophobicContact CG-CD1 4.49Å; L639-Y653 HydrophobicContact CG-CE1 4Å; V649-Y653 HydrophobicContact CG1-CD2 4.17Å; V649-Y653 HydrophobicContact CG1-CE1 4.26Å; V649-Y653 HydrophobicContact CG1-CE2 3.7Å; V649-Y653 PolarHBondContact O-N 3.32Å; A650-Y653 PolarHBondContact O-N 3.44Å; R651-Y653 VanDerWaalsContact C-N 3.34Å; R651-Y653 PolarHBondContact O-N 3.09Å; Y653-A655 VanDerWaalsContact C-N 3.34Å; Y653-A655 PolarHBondContact O-N 3.04Å; Y653-N656 CarbonylContact O-C 3.55Å; Y653-N656 PolarHBondContact O-N 2.78Å; Y653-N656 VanDerWaalsContact O-N 3.15Å; Y653-G657 PolarHBondContact O-N 3.34Å; Y653-G657 VanDerWaalsContact O-N 3.12Å; Y653-V658 CarbonylContact C-O 3.59Å; Y653-V658 HydrophobicContact CD1-CB 4.31Å; Y653-V658 HydrophobicContact CD1-CG1 4.24Å; Y653-V658 HydrophobicContact CG-CB 4.3Å; Y653-V658 HydrophobicContact CG-CG1 4.18Å; Y653-V658 PolarHBondContact O-N 3.31Å; Y653-W660 HydrophobicContact CD2-CB 4.3Å; Y653-W660 HydrophobicContact CD2-CG 4.44Å
654	K	96.4	Very high	97.3	Very high	98 Å²	98	34 Å²	34	43%	0.426	21%	0.205	S	C	.	.	H	α-helix	trans	-56.1	-47	175.4	-176.1	-178.3	178.9	-179.7	0	112.1	A650 R651 N656 G657 H683	A650-K654 PolarHBondContact O-N 3.19Å; R651-K654 PolarHBondContact O-N 3.23Å; K654-N656 PolarHBondContact O-N 2.73Å; K654-G657 PolarHBondContact O-N 2.79Å; K654-G657 VanDerWaalsContact O-N 3.13Å; K654-H683 VanDerWaalsContact CD-O 3.28Å; K654-H683 WeakPolarHBondContact CD-O 3.48Å; K654-H683 VanDerWaalsContact CE-O 3.23Å; K654-H683 WeakPolarHBondContact CE-O 3.39Å; K654-H683 PolarHBondContact NZ-O 2.99Å
655	A	96.9	Very high	97.2	Very high	87 Å²	87	34.1 Å²	34.1	72%	0.719	20%	0.2	S	C	*	.	H	α-helix	trans	-64.5	-27.9	-179.2	0	0	0	0	0	113.2	R651 F652 Y653	R651-A655 WeakPolarHBondContact O-CB 3.25Å; R651-A655 PolarHBondContact O-N 3.48Å; F652-A655 PolarHBondContact O-N 3.26Å; Y653-A655 VanDerWaalsContact C-N 3.34Å; Y653-A655 PolarHBondContact O-N 3.04Å
656	N	96.7	Very high	97	Very high	92 Å²	92	38.2 Å²	38.2	49%	0.492	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	10.4	176.9	-71.3	-85.1	0	0	0	113.3	F652 Y653 K654 V658	F652-N656 WeakPolarHBondContact CE1-ND2 3.08Å; F652-N656 PolarHBondContact O-N 3.29Å; F652-N656 VanDerWaalsContact O-N 3.13Å; F652-N656 PolarHBondContact O-ND2 3.44Å; Y653-N656 CarbonylContact O-C 3.55Å; Y653-N656 PolarHBondContact O-N 2.78Å; Y653-N656 VanDerWaalsContact O-N 3.15Å; K654-N656 PolarHBondContact O-N 2.73Å; N656-V658 VanDerWaalsContact C-N 3.25Å; N656-V658 HydrophobicContact CB-CG2 4.4Å; N656-V658 PolarHBondContact O-N 3.01Å
657	G	95.2	Very high	96.7	Very high	64 Å²	64	38.8 Å²	38.8	66%	0.66	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	20.8	179.2	0	0	0	0	0	114.6	Y653 K654	Y653-G657 PolarHBondContact O-N 3.34Å; Y653-G657 VanDerWaalsContact O-N 3.12Å; K654-G657 PolarHBondContact O-N 2.79Å; K654-G657 VanDerWaalsContact O-N 3.13Å
658	V	96.5	Very high	96.6	Very high	31 Å²	31	38.6 Å²	38.6	19%	0.188	22%	0.219	C	C	.	.			trans	-92.1	117.5	179.3	177.7	0	0	0	0	110.1	R586 L639 Y653 N656	R586-V658 HydrophobicContact CB-CG1 4.25Å; R586-V658 HydrophobicContact CG-CG1 3.62Å; L639-V658 HydrophobicContact CD1-CG2 4Å; Y653-V658 CarbonylContact C-O 3.59Å; Y653-V658 HydrophobicContact CD1-CB 4.31Å; Y653-V658 HydrophobicContact CD1-CG1 4.24Å; Y653-V658 HydrophobicContact CG-CB 4.3Å; Y653-V658 HydrophobicContact CG-CG1 4.18Å; Y653-V658 PolarHBondContact O-N 3.31Å; N656-V658 VanDerWaalsContact C-N 3.25Å; N656-V658 HydrophobicContact CB-CG2 4.4Å; N656-V658 PolarHBondContact O-N 3.01Å
659	N	96.7	Very high	96.4	Very high	52 Å²	52	33.9 Å²	33.9	28%	0.278	19%	0.194	S	C	.	.			trans	-77.2	149.2	171	-68.1	-48.6	0	0	0	110.2	M585 R586 R687	M585-N659 WeakPolarHBondContact CA-O 3.19Å; M585-N659 HydrophobicContact CG-CB 3.85Å; M585-N659 HydrophobicContact SD-CB 4.35Å; R586-N659 PolarHBondContact N-O 2.79Å; N659-R687 HydrophobicContact CB-CG 3.82Å; N659-R687 PolarHBondContact OD1-NE 2.93Å
660	W	98.3	Very high	95.9	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.9	-179.7	57.2	-100	0	0	0	113.3	R586 L588 L620 A650 Y653 V662 P681 L684 G686 R687	R586-W660 HydrophobicContact CB-CB 4.5Å; R586-W660 CarbonylContact O-C 3.47Å; R586-W660 WeakPolarHBondContact O-CA 3.34Å; R586-W660 WeakPolarHBondContact O-CB 3.42Å; L588-W660 HydrophobicContact CB-CB 4.16Å; L588-W660 HydrophobicContact CB-CD2 3.99Å; L588-W660 HydrophobicContact CB-CE3 3.86Å; L588-W660 HydrophobicContact CB-CG 4.15Å; L588-W660 HydrophobicContact CD2-CD2 3.84Å; L588-W660 HydrophobicContact CD2-CE3 3.81Å; L588-W660 HydrophobicContact CD2-CH2 3.88Å; L588-W660 HydrophobicContact CD2-CZ2 3.92Å; L588-W660 HydrophobicContact CD2-CZ3 3.86Å; L588-W660 HydrophobicContact CG-CD2 4.48Å; L588-W660 HydrophobicContact CG-CE3 4.5Å; L620-W660 HydrophobicContact CD2-CH2 4.05Å; L620-W660 HydrophobicContact CD2-CZ2 4.08Å; A650-W660 HydrophobicContact CB-CZ2 4.31Å; Y653-W660 HydrophobicContact CD2-CB 4.3Å; Y653-W660 HydrophobicContact CD2-CG 4.44Å; W660-V662 HydrophobicContact CE3-CG2 4.19Å; W660-V662 HydrophobicContact CZ3-CG2 3.66Å; W660-P681 HydrophobicContact CH2-CB 3.69Å; W660-P681 WeakPolarHBondContact CZ2-O 3.48Å; W660-P681 HydrophobicContact CZ3-CB 4.41Å; W660-L684 HydrophobicContact CZ2-CB 4.21Å; W660-L684 PolarHBondContact NE1-O 3.42Å; W660-G686 VanDerWaalsContact CD2-CA 3.46Å; W660-G686 VanDerWaalsContact CZ2-N 3.25Å; W660-R687 PolarHBondContact O-N 3.4Å
661	V	98.1	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.9	175.3	-57.8	0	0	0	0	111.2	M585 R586 V587 L588 A688 I728	M585-V661 HydrophobicContact CB-CG1 4Å; M585-V661 HydrophobicContact CE-CG1 3.47Å; M585-V661 VanDerWaalsContact CE-CG1 3.47Å; M585-V661 HydrophobicContact CG-CG1 4.48Å; M585-V661 HydrophobicContact SD-CG1 3.61Å; R586-V661 PolarHBondContact O-N 3.11Å; V587-V661 HydrophobicContact CG2-CG2 4.21Å; L588-V661 PolarHBondContact N-O 2.82Å; V661-A688 VanDerWaalsContact CA-O 3.23Å; V661-A688 WeakPolarHBondContact CA-O 3.5Å; V661-A688 WeakPolarHBondContact CB-O 3.13Å; V661-A688 HydrophobicContact CG1-CB 3.85Å; V661-I728 HydrophobicContact CG2-CB 4.37Å; V661-I728 HydrophobicContact CG2-CD1 3.98Å; V661-I728 HydrophobicContact CG2-CG1 4.48Å
662	V	98.2	Very high	94.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	168.1	168.7	0	0	0	0	108.3	I589 V591 L621 W660 Y668 A688 I689 I690	I589-V662 HydrophobicContact CG2-CG1 4.23Å; I589-V662 HydrophobicContact CG2-CG2 4.01Å; V591-V662 HydrophobicContact CG2-CG1 4.24Å; L621-V662 HydrophobicContact CD1-CG2 3.73Å; W660-V662 HydrophobicContact CE3-CG2 4.19Å; W660-V662 HydrophobicContact CZ3-CG2 3.66Å; V662-Y668 HydrophobicContact CG1-CE2 4.19Å; V662-A688 PolarHBondContact N-O 3.41Å; V662-A688 VanDerWaalsContact N-O 3.15Å; V662-I689 HydrophobicContact CB-CG1 4.4Å; V662-I689 HydrophobicContact CB-CG2 4.14Å; V662-I689 HydrophobicContact CG1-CG2 4.18Å; V662-I689 WeakPolarHBondContact O-CA 3.48Å; V662-I690 PolarHBondContact O-N 2.97Å
663	V	98.1	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.4	171.9	179.9	0	0	0	0	108.4	V587 I589 K590 V591 I690 F713 Y719 I722 I728	V587-V663 HydrophobicContact CG1-CG2 4.17Å; V587-V663 HydrophobicContact CG2-CG2 4.41Å; I589-V663 PolarHBondContact O-N 3.47Å; I589-V663 VanDerWaalsContact O-N 3.09Å; K590-V663 CarbonylContact C-O 3.55Å; K590-V663 WeakPolarHBondContact CA-O 3.32Å; K590-V663 HydrophobicContact CB-CB 4.4Å; K590-V663 HydrophobicContact CG-CB 4.12Å; K590-V663 HydrophobicContact CG-CG1 4.05Å; V591-V663 PolarHBondContact N-O 2.88Å; V663-I690 CarbonylContact C-O 3.44Å; V663-I690 VanDerWaalsContact CA-O 3.25Å; V663-I690 WeakPolarHBondContact CA-O 3.3Å; V663-F713 HydrophobicContact CG1-CE2 4.42Å; V663-F713 HydrophobicContact CG1-CZ 3.99Å; V663-Y719 HydrophobicContact CG1-CD2 3.87Å; V663-Y719 HydrophobicContact CG1-CE2 3.99Å; V663-I722 HydrophobicContact CG1-CD1 4.44Å; V663-I722 HydrophobicContact CG2-CD1 4.28Å; V663-I722 HydrophobicContact CG2-CG2 4.11Å; V663-I728 HydrophobicContact CG2-CD1 4.27Å
664	G	96.3	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.			trans	-125.3	166.5	-175	0	0	0	0	0	113.5	I690 V691 Y719	G664-I690 PolarHBondContact N-O 3.24Å; G664-V691 VanDerWaalsContact O-CA 3.3Å; G664-V691 WeakPolarHBondContact O-CA 3.5Å; G664-Y719 WeakPolarHBondContact O-CD2 3.15Å; G664-Y719 WeakPolarHBondContact O-CE2 3.18Å
665	D	94.9	Very high	93.4	Very high	29 Å²	29	25.3 Å²	25.3	16%	0.155	17%	0.167	C	C	.	.			trans	-89.3	-138.8	-179.2	-150.6	-17	0	0	0	110.6	G593 K692	G593-D665 WeakPolarHBondContact CA-OD2 3.27Å; G593-D665 PolarHBondContact N-OD2 3.32Å; G593-D665 VanDerWaalsContact N-OD2 3.14Å; D665-K692 PolarHBondContact O-N 2.92Å; D665-K692 VanDerWaalsContact OD1-CD 3.27Å; D665-K692 WeakPolarHBondContact OD1-CD 3.48Å; D665-K692 VanDerWaalsContact OD1-CE 3.3Å; D665-K692 WeakPolarHBondContact OD1-CE 3.29Å; D665-K692 IonicContact OD1-NZ 3.64Å; D665-K692 PolarHBondContact OD1-NZ 2.99Å
666	E	93.1	Very high	93.4	Very high	95 Å²	95	21.2 Å²	21.2	44%	0.444	13%	0.133	S	C	.	.	S	Bend	trans	-85.9	154.3	178.4	-57.2	-175.5	100.7	0	0	114.2	K260 Y668 K692 S693	K260-E666 IonicContact NZ-OE1 3.69Å; K260-E666 PolarHBondContact NZ-OE1 2.98Å; K260-E666 IonicContact NZ-OE2 3.65Å; K260-E666 PolarHBondContact NZ-OE2 3.01Å; E666-Y668 PolarHBondContact O-N 3.37Å; E666-K692 HydrophobicContact CG-CB 4.04Å; E666-K692 HydrophobicContact CG-CD 3.96Å; E666-S693 WeakPolarHBondContact CA-OG 3.3Å
667	N	91.6	Very high	93.3	Very high	11 Å²	11	16.8 Å²	16.8	6%	0.059	11%	0.109	C	C	.	.	S	Bend	trans	48.5	40.1	176.2	-159.6	29.6	0	0	0	113.6	K260 G669 E670 S693	K260-N667 HydrophobicContact CG-CB 4.34Å; N667-G669 PolarHBondContact O-N 3.01Å; N667-E670 WeakPolarHBondContact ND2-CG 3.45Å; N667-E670 PolarHBondContact ND2-OE2 3.42Å; N667-E670 WeakPolarHBondContact O-CB 3.36Å; N667-E670 PolarHBondContact O-N 3.2Å; N667-S693 WeakPolarHBondContact CA-O 3.42Å; N667-S693 PolarHBondContact N-O 2.88Å; N667-S693 PolarHBondContact N-OG 2.79Å
668	Y	95.1	Very high	93.4	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-62.3	135.1	-177.1	-176.1	-85.3	0	0	0	111.1	V591 C595 I600 V662 E666 I689 V691 S693 F694 A695 H698	V591-Y668 HydrophobicContact CG2-CE2 4.45Å; C595-Y668 HydrophobicContact CB-CD2 3.65Å; C595-Y668 HydrophobicContact CB-CE2 3.82Å; C595-Y668 VanDerWaalsContact SG-CE2 3.56Å; I600-Y668 HydrophobicContact CD1-CD1 4.24Å; I600-Y668 HydrophobicContact CD1-CE1 3.5Å; I600-Y668 VanDerWaalsContact CD1-CE1 3.5Å; I600-Y668 HydrophobicContact CD1-CE2 4.41Å; I600-Y668 HydrophobicContact CG1-CE1 4.44Å; V662-Y668 HydrophobicContact CG1-CE2 4.19Å; E666-Y668 PolarHBondContact O-N 3.37Å; Y668-I689 HydrophobicContact CD1-CG2 4.17Å; Y668-I689 HydrophobicContact CE1-CD1 4.2Å; Y668-I689 HydrophobicContact CE1-CG2 3.81Å; Y668-V691 HydrophobicContact CD1-CG1 4.26Å; Y668-V691 HydrophobicContact CD2-CG1 4.17Å; Y668-V691 HydrophobicContact CG-CG1 3.81Å; Y668-S693 PolarHBondContact N-O 2.96Å; Y668-F694 AromaticContact CD1-CD1 3.89Å; Y668-F694 HydrophobicContact CD1-CD1 3.89Å; Y668-F694 AromaticContact CD1-CE1 3.73Å; Y668-F694 HydrophobicContact CD1-CE1 3.73Å; Y668-F694 HydrophobicContact CE1-CE1 4.48Å; Y668-F694 HydrophobicContact CG-CD1 4.41Å; Y668-F694 HydrophobicContact CG-CE1 4.38Å; Y668-A695 PolarHBondContact O-N 2.91Å; Y668-H698 AromaticContact CD1-CD2 3.74Å; Y668-H698 AromaticContact CD1-NE2 3.81Å; Y668-H698 AromaticContact CE1-CD2 3.85Å; Y668-H698 AromaticContact CE1-NE2 3.4Å; Y668-H698 WeakPolarHBondContact CE1-NE2 3.45Å
669	G	92.3	Very high	93.4	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.031	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	22.3	-175.6	0	0	0	0	0	114	C595 T597 N667 A695	C595-G669 PolarHBondContact O-N 3.11Å; T597-G669 WeakPolarHBondContact CG2-O 3.4Å; N667-G669 PolarHBondContact O-N 3.01Å; G669-A695 WeakPolarHBondContact O-CB 3.49Å
670	E	88.8	Confident	93.4	Very high	16 Å²	16	9.9 Å²	9.9	8%	0.075	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-54.5	141.8	173.6	-174.8	-171.3	138	0	0	111.7	F479 K594 T596 T597 N667	F479-E670 VanDerWaalsContact CZ-OE1 3.24Å; F479-E670 WeakPolarHBondContact CZ-OE1 3.43Å; K594-E670 VanDerWaalsContact CE-CD 3.46Å; K594-E670 WeakPolarHBondContact CE-OE1 3.36Å; K594-E670 WeakPolarHBondContact CE-OE2 3.38Å; K594-E670 IonicContact NZ-OE1 3.91Å; K594-E670 PolarHBondContact NZ-OE1 3.42Å; K594-E670 IonicContact NZ-OE2 3.83Å; K594-E670 PolarHBondContact NZ-OE2 2.94Å; T596-E670 CarbonylContact C-O 3.47Å; T596-E670 WeakPolarHBondContact CA-O 3.5Å; T596-E670 WeakPolarHBondContact CB-O 3.31Å; T596-E670 HydrophobicContact CG2-CB 4.27Å; T597-E670 PolarHBondContact N-O 3.33Å; T597-E670 PolarHBondContact OG1-O 3.26Å; N667-E670 WeakPolarHBondContact ND2-CG 3.45Å; N667-E670 PolarHBondContact ND2-OE2 3.42Å; N667-E670 WeakPolarHBondContact O-CB 3.36Å; N667-E670 PolarHBondContact O-N 3.2Å
671	G	86	Confident	93.4	Very high	22 Å²	22	9.9 Å²	9.9	23%	0.227	6%	0.056	C	C	.	.	S	Bend	trans	110.8	-113.6	166.4	0	0	0	0	0	114.9	R477	R477-G671 PolarHBondContact NH1-O 2.9Å; R477-G671 VanDerWaalsContact NH2-C 3.3Å; R477-G671 PolarHBondContact NH2-O 3.4Å
672	S	82.4	Confident	93.3	Very high	18 Å²	18	10.4 Å²	10.4	13%	0.126	6%	0.058	C	C	.	.			trans	-78.7	147.1	-164.4	177.7	0	0	0	0	111.5	R477 T597 R674	R477-S672 VanDerWaalsContact NH1-CA 3.34Å; T597-S672 WeakPolarHBondContact CG2-O 3.09Å; T597-S672 WeakPolarHBondContact OG1-CB 3.38Å; T597-S672 PolarHBondContact OG1-N 3.07Å; T597-S672 PolarHBondContact OG1-O 2.91Å; S672-R674 PolarHBondContact O-N 2.84Å; S672-R674 VanDerWaalsContact O-N 3.08Å; S672-R674 PolarHBondContact OG-NE 3.04Å; S672-R674 VanDerWaalsContact OG-NE 3.12Å; S672-R674 PolarHBondContact OG-NH2 3.44Å
673	S	86.1	Confident	93.3	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	7%	0.065	C	C	.	.			trans	-71.1	-0.6	-177.7	58.2	0	0	0	0	115.4	T193 D194 S195 V210 E675 N702	T193-S673 PolarHBondContact O-OG 2.9Å; D194-S673 VanDerWaalsContact CA-OG 3.23Å; D194-S673 WeakPolarHBondContact CA-OG 3.33Å; D194-S673 PolarHBondContact N-OG 2.7Å; S195-S673 PolarHBondContact N-OG 3.25Å; V210-S673 WeakPolarHBondContact O-CB 3.38Å; S673-E675 PolarHBondContact O-N 3.46Å; S673-E675 VanDerWaalsContact O-N 3.16Å; S673-N702 PolarHBondContact O-ND2 3.39Å; S673-N702 VanDerWaalsContact O-ND2 3.14Å
674	R	87.8	Confident	93.3	Very high	7 Å²	7	11.9 Å²	11.9	3%	0.026	7%	0.065	C	C	.	.			trans	-51.8	117.7	-171.3	66.6	-169	69.6	162.4	12.8	112.5	D598 S601 S672 H676 A677	D598-R674 VanDerWaalsContact CG-NH1 3.31Å; D598-R674 VanDerWaalsContact CG-NH2 3.3Å; D598-R674 IonicContact OD1-CZ 2.77Å; D598-R674 IonicContact OD1-NH1 3.25Å; D598-R674 PolarHBondContact OD1-NH1 3.42Å; D598-R674 IonicContact OD1-NH2 3.86Å; D598-R674 PolarHBondContact OD1-NH2 3.47Å; D598-R674 IonicContact OD2-CZ 2.69Å; D598-R674 IonicContact OD2-NH1 3.28Å; D598-R674 IonicContact OD2-NH2 2.7Å; D598-R674 PolarHBondContact OD2-NH2 3.49Å; S601-R674 WeakPolarHBondContact O-CD 3.46Å; S601-R674 PolarHBondContact O-NH1 2.84Å; S672-R674 PolarHBondContact O-N 2.84Å; S672-R674 VanDerWaalsContact O-N 3.08Å; S672-R674 PolarHBondContact OG-NE 3.04Å; S672-R674 VanDerWaalsContact OG-NE 3.12Å; S672-R674 PolarHBondContact OG-NH2 3.44Å; R674-H676 PolarHBondContact O-N 2.84Å; R674-A677 HydrophobicContact CG-CB 4.3Å; R674-A677 PolarHBondContact O-N 2.9Å
675	E	92.9	Very high	93.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.9	178.5	66.8	-177.2	152.8	0	0	113.1	M107 Q111 G212 A213 S673 A677 A678 L679	M107-E675 WeakPolarHBondContact CB-OE1 3.3Å; M107-E675 HydrophobicContact CG-CG 4.38Å; M107-E675 WeakPolarHBondContact CG-OE1 3.4Å; Q111-E675 PolarHBondContact NE2-OE1 2.93Å; Q111-E675 PolarHBondContact NE2-OE2 3.39Å; G212-E675 WeakPolarHBondContact CA-OE1 3.47Å; G212-E675 WeakPolarHBondContact CA-OE2 3.45Å; G212-E675 PolarHBondContact N-OE2 3.17Å; A213-E675 PolarHBondContact N-OE2 3.5Å; S673-E675 PolarHBondContact O-N 3.46Å; S673-E675 VanDerWaalsContact O-N 3.16Å; E675-A677 PolarHBondContact O-N 2.89Å; E675-A678 WeakPolarHBondContact O-CA 3.38Å; E675-A678 WeakPolarHBondContact O-CB 3.38Å; E675-A678 PolarHBondContact O-N 2.72Å; E675-L679 HydrophobicContact CG-CD1 3.89Å; E675-L679 PolarHBondContact O-N 3.16Å
676	H	95.7	Very high	93.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57	-31.9	174.1	-52.5	81.8	0	0	0	112.4	R610 I616 R674 A678 L679 E680	R610-H676 WeakPolarHBondContact CD-CE1 3.4Å; R610-H676 VanDerWaalsContact NH1-CB 3.31Å; R610-H676 PolarHBondContact NH1-ND1 3.09Å; R610-H676 PolarHBondContact O-NE2 3.46Å; I616-H676 HydrophobicContact CD1-CB 4.39Å; R674-H676 PolarHBondContact O-N 2.84Å; H676-A678 PolarHBondContact O-N 3.46Å; H676-L679 PolarHBondContact O-N 3.26Å; H676-E680 HydrophobicContact CB-CG 4.38Å; H676-E680 WeakPolarHBondContact CB-OE1 3.09Å; H676-E680 WeakPolarHBondContact O-CB 3.17Å; H676-E680 WeakPolarHBondContact O-CG 3.4Å; H676-E680 PolarHBondContact O-N 3.28Å
677	A	95.7	Very high	93.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.3	-17.5	173.4	0	0	0	0	0	113.5	T597 I600 R674 E675 P681 H698	T597-A677 HydrophobicContact CG2-CB 4.32Å; I600-A677 HydrophobicContact CB-CB 4.18Å; I600-A677 HydrophobicContact CG2-CB 3.85Å; R674-A677 HydrophobicContact CG-CB 4.3Å; R674-A677 PolarHBondContact O-N 2.9Å; E675-A677 PolarHBondContact O-N 2.89Å; A677-P681 VanDerWaalsContact O-CD 3.27Å; A677-P681 WeakPolarHBondContact O-CD 3.16Å; A677-P681 WeakPolarHBondContact O-CG 3.42Å; A677-H698 PolarHBondContact O-CE1 3.42Å
678	A	96.6	Very high	93.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-103.8	-37.1	171.5	0	0	0	0	0	112.8	E675 H676 P681 R682 N702 L703 Q706 L708	E675-A678 WeakPolarHBondContact O-CA 3.38Å; E675-A678 WeakPolarHBondContact O-CB 3.38Å; E675-A678 PolarHBondContact O-N 2.72Å; H676-A678 PolarHBondContact O-N 3.46Å; A678-P681 WeakPolarHBondContact O-CD 3.35Å; A678-R682 WeakPolarHBondContact O-CB 3.43Å; A678-R682 PolarHBondContact O-N 2.88Å; A678-N702 HydrophobicContact CB-CB 3.77Å; A678-N702 WeakPolarHBondContact CB-O 3.46Å; A678-L703 HydrophobicContact CB-CD2 3.8Å; A678-L703 HydrophobicContact CB-CG 4.33Å; A678-Q706 HydrophobicContact CB-CB 4.46Å; A678-Q706 HydrophobicContact CB-CG 3.97Å; A678-L708 WeakPolarHBondContact O-CD1 3.48Å
679	L	96.6	Very high	94	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-40.6	178.2	-70.5	164.4	0	0	0	112.7	M107 F574 L613 E675 H676 R682 H683 Q706	M107-L679 HydrophobicContact CE-CD1 4.42Å; M107-L679 HydrophobicContact CG-CD1 3.54Å; M107-L679 HydrophobicContact SD-CD1 3.96Å; F574-L679 HydrophobicContact CE2-CD2 3.68Å; F574-L679 HydrophobicContact CZ-CD2 3.8Å; L613-L679 HydrophobicContact CD1-CB 3.56Å; L613-L679 HydrophobicContact CD2-CB 4.27Å; L613-L679 HydrophobicContact CD2-CD2 4.47Å; E675-L679 HydrophobicContact CG-CD1 3.89Å; E675-L679 PolarHBondContact O-N 3.16Å; H676-L679 PolarHBondContact O-N 3.26Å; L679-R682 PolarHBondContact O-N 3.47Å; L679-H683 VanDerWaalsContact O-CB 3.29Å; L679-H683 WeakPolarHBondContact O-CB 3.23Å; L679-H683 PolarHBondContact O-N 3.44Å; L679-Q706 HydrophobicContact CD2-CG 3.81Å; L679-Q706 HydrophobicContact CG-CG 4.05Å
680	E	97.5	Very high	94.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.3	-49	-176.9	-62.6	165.8	-152.7	0	0	112.2	S601 L613 I616 N619 L620 H676 R682 H683 L684	S601-E680 WeakPolarHBondContact CB-OE1 3.45Å; S601-E680 PolarHBondContact OG-OE1 3.31Å; L613-E680 HydrophobicContact CD1-CG 4.34Å; I616-E680 HydrophobicContact CG2-CG 4.14Å; N619-E680 PolarHBondContact OD1-OE1 3.36Å; N619-E680 PolarHBondContact OD1-OE2 3.48Å; L620-E680 HydrophobicContact CD1-CB 4.29Å; H676-E680 HydrophobicContact CB-CG 4.38Å; H676-E680 WeakPolarHBondContact CB-OE1 3.09Å; H676-E680 WeakPolarHBondContact O-CB 3.17Å; H676-E680 WeakPolarHBondContact O-CG 3.4Å; H676-E680 PolarHBondContact O-N 3.28Å; E680-R682 PolarHBondContact O-N 3.46Å; E680-H683 PolarHBondContact O-N 3.29Å; E680-L684 WeakPolarHBondContact O-CB 3.36Å; E680-L684 PolarHBondContact O-N 3.05Å
681	P	97.4	Very high	94.7	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.013	4%	0.043	C	C	.	.	H	α-helix	trans	-53.6	-43.8	170.8	-25.2	31.3	0	0	0	112.4	L620 W660 A677 A678 L684 G685 G686 L708	L620-P681 HydrophobicContact CD1-CB 4.44Å; L620-P681 HydrophobicContact CD1-CG 3.7Å; W660-P681 HydrophobicContact CH2-CB 3.69Å; W660-P681 WeakPolarHBondContact CZ2-O 3.48Å; W660-P681 HydrophobicContact CZ3-CB 4.41Å; A677-P681 VanDerWaalsContact O-CD 3.27Å; A677-P681 WeakPolarHBondContact O-CD 3.16Å; A677-P681 WeakPolarHBondContact O-CG 3.42Å; A678-P681 WeakPolarHBondContact O-CD 3.35Å; P681-L684 PolarHBondContact O-N 2.92Å; P681-G685 PolarHBondContact O-N 2.77Å; P681-G686 WeakPolarHBondContact O-CA 3.49Å; P681-G686 PolarHBondContact O-N 2.79Å; P681-L708 HydrophobicContact CB-CD1 3.97Å
682	R	97.3	Very high	95.1	Very high	10 Å²	10	8.9 Å²	8.9	4%	0.038	4%	0.043	C	C	.	.	H	α-helix	trans	-64.8	-43.7	-179	-175.2	65.5	-179.8	87	-3.3	112	F574 D575 A678 L679 E680 L684 G685 R687 Q706 L708	F574-R682 HydrophobicContact CD1-CG 3.79Å; F574-R682 HydrophobicContact CD2-CG 4.01Å; F574-R682 HydrophobicContact CE1-CB 4.33Å; F574-R682 HydrophobicContact CE1-CG 3.78Å; F574-R682 HydrophobicContact CE2-CG 4Å; F574-R682 HydrophobicContact CG-CG 3.92Å; F574-R682 HydrophobicContact CZ-CB 4.24Å; F574-R682 HydrophobicContact CZ-CG 3.88Å; D575-R682 PolarHBondContact O-NH2 3.45Å; D575-R682 IonicContact OD1-CZ 3.94Å; D575-R682 IonicContact OD1-NH1 3.7Å; D575-R682 PolarHBondContact OD1-NH1 2.96Å; D575-R682 IonicContact OD1-NH2 3.13Å; D575-R682 PolarHBondContact OD1-NH2 3.47Å; D575-R682 IonicContact OD2-NH2 3.77Å; A678-R682 WeakPolarHBondContact O-CB 3.43Å; A678-R682 PolarHBondContact O-N 2.88Å; L679-R682 PolarHBondContact O-N 3.47Å; E680-R682 PolarHBondContact O-N 3.46Å; R682-L684 VanDerWaalsContact C-N 3.33Å; R682-G685 PolarHBondContact O-N 3.39Å; R682-R687 VanDerWaalsContact NH1-NH1 3.18Å; R682-Q706 HydrophobicContact CB-CB 4.44Å; R682-Q706 WeakPolarHBondContact CD-O 3.5Å; R682-Q706 HydrophobicContact CG-CB 4.46Å; R682-Q706 WeakPolarHBondContact CG-O 3.35Å; R682-Q706 PolarHBondContact NE-O 2.73Å; R682-Q706 VanDerWaalsContact NE-O 3.17Å; R682-L708 HydrophobicContact CB-CD1 4.06Å; R682-L708 HydrophobicContact CB-CD2 4.36Å; R682-L708 HydrophobicContact CB-CG 4.15Å
683	H	97.3	Very high	95.7	Very high	33 Å²	33	10 Å²	10	15%	0.153	5%	0.05	C	C	.	.	H	α-helix	trans	-63.2	-40	177.1	-179.3	-65	0	0	0	111.1	F574 L613 D614 K654 L679 E680 G685	F574-H683 HydrophobicContact CE1-CB 4.41Å; L613-H683 HydrophobicContact CD2-CB 4.14Å; L613-H683 HydrophobicContact CG-CB 4.22Å; D614-H683 IonicContact OD1-CE1 2.78Å; D614-H683 PolarHBondContact OD1-CE1 3.28Å; D614-H683 IonicContact OD1-NE2 3.82Å; K654-H683 VanDerWaalsContact CD-O 3.28Å; K654-H683 WeakPolarHBondContact CD-O 3.48Å; K654-H683 VanDerWaalsContact CE-O 3.23Å; K654-H683 WeakPolarHBondContact CE-O 3.39Å; K654-H683 PolarHBondContact NZ-O 2.99Å; L679-H683 VanDerWaalsContact O-CB 3.29Å; L679-H683 WeakPolarHBondContact O-CB 3.23Å; L679-H683 PolarHBondContact O-N 3.44Å; E680-H683 PolarHBondContact O-N 3.29Å; H683-G685 VanDerWaalsContact C-N 3.27Å; H683-G685 PolarHBondContact O-N 2.9Å
684	L	97.3	Very high	96.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	15.1	-177.7	-66.5	-175.4	0	0	0	114.6	S617 L620 A650 R651 W660 E680 P681 R682	S617-L684 WeakPolarHBondContact O-CD1 3.5Å; L620-L684 HydrophobicContact CB-CD1 3.98Å; L620-L684 HydrophobicContact CD2-CB 4.1Å; L620-L684 HydrophobicContact CD2-CD1 3.56Å; L620-L684 HydrophobicContact CD2-CG 4.35Å; L620-L684 HydrophobicContact CG-CD1 4.4Å; A650-L684 HydrophobicContact CB-CB 4.04Å; A650-L684 HydrophobicContact CB-CD1 4.2Å; R651-L684 HydrophobicContact CG-CD2 3.52Å; W660-L684 HydrophobicContact CZ2-CB 4.21Å; W660-L684 PolarHBondContact NE1-O 3.42Å; E680-L684 WeakPolarHBondContact O-CB 3.36Å; E680-L684 PolarHBondContact O-N 3.05Å; P681-L684 PolarHBondContact O-N 2.92Å; R682-L684 VanDerWaalsContact C-N 3.33Å
685	G	95.9	Very high	96.2	Very high	10 Å²	10	11.6 Å²	11.6	10%	0.103	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	9.9	170.9	0	0	0	0	0	115.4	P681 R682 H683	P681-G685 PolarHBondContact O-N 2.77Å; R682-G685 PolarHBondContact O-N 3.39Å; H683-G685 VanDerWaalsContact C-N 3.27Å; H683-G685 PolarHBondContact O-N 2.9Å
686	G	97.3	Very high	96.1	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	147.6	174	0	0	0	0	0	111.8	W660 P681 L708	W660-G686 VanDerWaalsContact CD2-CA 3.46Å; W660-G686 VanDerWaalsContact CZ2-N 3.25Å; P681-G686 WeakPolarHBondContact O-CA 3.49Å; P681-G686 PolarHBondContact O-N 2.79Å; G686-L708 WeakPolarHBondContact O-CD2 3.41Å
687	R	97.1	Very high	95.6	Very high	51 Å²	51	14.3 Å²	14.3	19%	0.192	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-36.1	-178.5	-60.3	-60.5	178.6	179.9	3.3	114.2	D575 L582 M585 N659 W660 R682 L709	D575-R687 IonicContact OD1-NH1 3.74Å; D575-R687 PolarHBondContact OD1-NH1 3.03Å; D575-R687 IonicContact OD1-NH2 3.36Å; D575-R687 IonicContact OD2-CZ 3.99Å; D575-R687 VanDerWaalsContact OD2-CZ 3.25Å; D575-R687 IonicContact OD2-NH1 2.82Å; D575-R687 PolarHBondContact OD2-NH1 2.81Å; D575-R687 IonicContact OD2-NH2 2.81Å; D575-R687 PolarHBondContact OD2-NH2 3.02Å; L582-R687 HydrophobicContact CD1-CB 3.88Å; L582-R687 HydrophobicContact CD2-CB 4.4Å; L582-R687 HydrophobicContact CD2-CG 4.29Å; M585-R687 HydrophobicContact SD-CB 3.73Å; M585-R687 HydrophobicContact SD-CG 4.22Å; N659-R687 HydrophobicContact CB-CG 3.82Å; N659-R687 PolarHBondContact OD1-NE 2.93Å; W660-R687 PolarHBondContact O-N 3.4Å; R682-R687 VanDerWaalsContact NH1-NH1 3.18Å; R687-L709 PolarHBondContact O-N 3.39Å
688	A	97.4	Very high	95.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.8	179.3	0	0	0	0	0	111.9	V661 V662 L709 I730	V661-A688 VanDerWaalsContact CA-O 3.23Å; V661-A688 WeakPolarHBondContact CA-O 3.5Å; V661-A688 WeakPolarHBondContact CB-O 3.13Å; V661-A688 HydrophobicContact CG1-CB 3.85Å; V662-A688 PolarHBondContact N-O 3.41Å; V662-A688 VanDerWaalsContact N-O 3.15Å; A688-L709 WeakPolarHBondContact CA-O 3.49Å; A688-L709 HydrophobicContact CB-CB 3.9Å; A688-I730 HydrophobicContact CB-CD1 3.49Å; A688-I730 VanDerWaalsContact CB-CD1 3.49Å
689	I	98.1	Very high	94.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.1	170.3	-53.6	-171.4	0	0	0	106.2	V662 Y668 V691 F694 L703 L709 L711	V662-I689 HydrophobicContact CB-CG1 4.4Å; V662-I689 HydrophobicContact CB-CG2 4.14Å; V662-I689 HydrophobicContact CG1-CG2 4.18Å; V662-I689 WeakPolarHBondContact O-CA 3.48Å; Y668-I689 HydrophobicContact CD1-CG2 4.17Å; Y668-I689 HydrophobicContact CE1-CD1 4.2Å; Y668-I689 HydrophobicContact CE1-CG2 3.81Å; I689-V691 HydrophobicContact CG2-CG1 3.76Å; I689-F694 HydrophobicContact CB-CE1 4.38Å; I689-F694 HydrophobicContact CB-CZ 4.19Å; I689-F694 HydrophobicContact CG2-CE1 3.91Å; I689-F694 HydrophobicContact CG2-CZ 4.04Å; I689-L703 HydrophobicContact CB-CD1 4.44Å; I689-L703 HydrophobicContact CD1-CD1 3.9Å; I689-L703 HydrophobicContact CD1-CD2 3.51Å; I689-L703 HydrophobicContact CD1-CG 4.39Å; I689-L703 HydrophobicContact CG1-CD1 4.48Å; I689-L703 HydrophobicContact CG1-CD2 4.4Å; I689-L709 PolarHBondContact N-O 2.94Å; I689-L711 PolarHBondContact O-N 2.69Å
690	I	98.1	Very high	93.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.4	-174	-50.7	171.1	0	0	0	108.4	V662 V663 G664 L711 F713 I728 L758	V662-I690 PolarHBondContact O-N 2.97Å; V663-I690 CarbonylContact C-O 3.44Å; V663-I690 VanDerWaalsContact CA-O 3.25Å; V663-I690 WeakPolarHBondContact CA-O 3.3Å; G664-I690 PolarHBondContact N-O 3.24Å; I690-L711 WeakPolarHBondContact CA-O 3.31Å; I690-L711 HydrophobicContact CG1-CB 4.34Å; I690-F713 HydrophobicContact CB-CZ 4.37Å; I690-F713 HydrophobicContact CG2-CD1 4.03Å; I690-F713 HydrophobicContact CG2-CD2 4.46Å; I690-F713 HydrophobicContact CG2-CE1 3.53Å; I690-F713 HydrophobicContact CG2-CE2 3.99Å; I690-F713 HydrophobicContact CG2-CG 4.47Å; I690-F713 HydrophobicContact CG2-CZ 3.5Å; I690-F713 VanDerWaalsContact CG2-CZ 3.5Å; I690-I728 HydrophobicContact CD1-CD1 4.27Å; I690-I728 HydrophobicContact CD1-CG2 4.16Å; I690-L758 HydrophobicContact CD1-CD1 3.91Å; I690-L758 HydrophobicContact CG1-CD1 4.17Å; I690-L758 HydrophobicContact CG2-CD1 4.08Å; I690-L758 HydrophobicContact CG2-CD2 3.64Å
691	V	97.5	Very high	92.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	170.1	-171.8	-50.2	0	0	0	0	112.4	G664 Y668 I689 S693 F694 L711 T712 F713	G664-V691 VanDerWaalsContact O-CA 3.3Å; G664-V691 WeakPolarHBondContact O-CA 3.5Å; Y668-V691 HydrophobicContact CD1-CG1 4.26Å; Y668-V691 HydrophobicContact CD2-CG1 4.17Å; Y668-V691 HydrophobicContact CG-CG1 3.81Å; I689-V691 HydrophobicContact CG2-CG1 3.76Å; V691-S693 VanDerWaalsContact CG2-O 3.29Å; V691-S693 WeakPolarHBondContact CG2-O 3.33Å; V691-F694 HydrophobicContact CB-CE1 4.38Å; V691-F694 HydrophobicContact CB-CZ 4.27Å; V691-F694 HydrophobicContact CG1-CD1 4.43Å; V691-F694 HydrophobicContact CG1-CE1 3.77Å; V691-F694 HydrophobicContact CG1-CZ 3.84Å; V691-F694 HydrophobicContact CG2-CD1 3.71Å; V691-F694 HydrophobicContact CG2-CD2 3.4Å; V691-F694 HydrophobicContact CG2-CE1 3.61Å; V691-F694 HydrophobicContact CG2-CE2 3.28Å; V691-F694 HydrophobicContact CG2-CG 3.61Å; V691-F694 HydrophobicContact CG2-CZ 3.39Å; V691-L711 PolarHBondContact N-O 2.79Å; V691-T712 HydrophobicContact CG2-CG2 4.29Å; V691-T712 CarbonylContact O-C 3.42Å; V691-T712 WeakPolarHBondContact O-CA 3.35Å; V691-F713 WeakPolarHBondContact O-CD2 3.26Å; V691-F713 PolarHBondContact O-N 2.84Å
692	K	96.2	Very high	92.6	Very high	51 Å²	51	16.5 Å²	16.5	22%	0.222	8%	0.083	C	C	.	.	S	Bend	trans	-72.7	-43.6	170.6	-63.8	-178.1	-173.4	159.5	0	111.2	D665 E666 F713 P716	D665-K692 PolarHBondContact O-N 2.92Å; D665-K692 VanDerWaalsContact OD1-CD 3.27Å; D665-K692 WeakPolarHBondContact OD1-CD 3.48Å; D665-K692 VanDerWaalsContact OD1-CE 3.3Å; D665-K692 WeakPolarHBondContact OD1-CE 3.29Å; D665-K692 IonicContact OD1-NZ 3.64Å; D665-K692 PolarHBondContact OD1-NZ 2.99Å; E666-K692 HydrophobicContact CG-CB 4.04Å; E666-K692 HydrophobicContact CG-CD 3.96Å; K692-F713 HydrophobicContact CG-CD2 4.14Å; K692-P716 HydrophobicContact CD-CB 4.12Å; K692-P716 WeakPolarHBondContact CE-O 3.29Å; K692-P716 HydrophobicContact CG-CB 4.13Å
693	S	94.3	Very high	92.5	Very high	40 Å²	40	16 Å²	16	28%	0.28	8%	0.081	S	C	.	.			trans	-156.5	158.4	175	55.3	0	0	0	0	111.8	E666 N667 Y668 V691	E666-S693 WeakPolarHBondContact CA-OG 3.3Å; N667-S693 WeakPolarHBondContact CA-O 3.42Å; N667-S693 PolarHBondContact N-O 2.88Å; N667-S693 PolarHBondContact N-OG 2.79Å; Y668-S693 PolarHBondContact N-O 2.96Å; V691-S693 VanDerWaalsContact CG2-O 3.29Å; V691-S693 WeakPolarHBondContact CG2-O 3.33Å
694	F	94	Very high	92.4	Very high	29 Å²	29	14.5 Å²	14.5	13%	0.127	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-118.9	154.2	-179.6	-73.5	-76.9	0	0	0	112.6	Y668 I689 V691 A699 L703 P710 L711 T712	Y668-F694 AromaticContact CD1-CD1 3.89Å; Y668-F694 HydrophobicContact CD1-CD1 3.89Å; Y668-F694 AromaticContact CD1-CE1 3.73Å; Y668-F694 HydrophobicContact CD1-CE1 3.73Å; Y668-F694 HydrophobicContact CE1-CE1 4.48Å; Y668-F694 HydrophobicContact CG-CD1 4.41Å; Y668-F694 HydrophobicContact CG-CE1 4.38Å; I689-F694 HydrophobicContact CB-CE1 4.38Å; I689-F694 HydrophobicContact CB-CZ 4.19Å; I689-F694 HydrophobicContact CG2-CE1 3.91Å; I689-F694 HydrophobicContact CG2-CZ 4.04Å; V691-F694 HydrophobicContact CB-CE1 4.38Å; V691-F694 HydrophobicContact CB-CZ 4.27Å; V691-F694 HydrophobicContact CG1-CD1 4.43Å; V691-F694 HydrophobicContact CG1-CE1 3.77Å; V691-F694 HydrophobicContact CG1-CZ 3.84Å; V691-F694 HydrophobicContact CG2-CD1 3.71Å; V691-F694 HydrophobicContact CG2-CD2 3.4Å; V691-F694 HydrophobicContact CG2-CE1 3.61Å; V691-F694 HydrophobicContact CG2-CE2 3.28Å; V691-F694 HydrophobicContact CG2-CG 3.61Å; V691-F694 HydrophobicContact CG2-CZ 3.39Å; F694-A699 HydrophobicContact CB-CB 3.21Å; F694-A699 HydrophobicContact CD1-CB 3.54Å; F694-A699 HydrophobicContact CD2-CB 3.55Å; F694-A699 HydrophobicContact CE1-CB 4.19Å; F694-A699 HydrophobicContact CE2-CB 4.18Å; F694-A699 HydrophobicContact CG-CB 3.18Å; F694-A699 HydrophobicContact CZ-CB 4.48Å; F694-L703 HydrophobicContact CD1-CD1 4.48Å; F694-L703 HydrophobicContact CE1-CD1 3.84Å; F694-L703 HydrophobicContact CZ-CD1 4.24Å; F694-P710 HydrophobicContact CD2-CB 4.38Å; F694-P710 HydrophobicContact CE2-CB 3.69Å; F694-P710 HydrophobicContact CZ-CB 3.78Å; F694-L711 WeakPolarHBondContact CE2-O 3.44Å; F694-T712 HydrophobicContact CD2-CG2 3.78Å; F694-T712 HydrophobicContact CE2-CG2 4.02Å
695	A	91.1	Very high	92.3	Very high	13 Å²	13	14.6 Å²	14.6	11%	0.107	8%	0.075	C	C	.	.			trans	-73.9	145.3	160.9	0	0	0	0	0	111.2	Y668 G669 I697 H698 A699	Y668-A695 PolarHBondContact O-N 2.91Å; G669-A695 WeakPolarHBondContact O-CB 3.49Å; A695-I697 PolarHBondContact O-N 3.38Å; A695-H698 PolarHBondContact O-N 3.04Å; A695-A699 PolarHBondContact O-N 2.99Å
696	R	88.9	Confident	92.3	Very high	32 Å²	32	14.3 Å²	14.3	12%	0.121	7%	0.071	C	C	.	.	H	α-helix	trans	-50.8	-63.3	-172.7	-171.3	-160.1	77.5	90.4	-3	113.3	G209 H698 A699 E700	G209-R696 PolarHBondContact O-NH2 3.15Å; R696-H698 VanDerWaalsContact C-N 3.27Å; R696-H698 PolarHBondContact O-N 2.5Å; R696-A699 PolarHBondContact O-N 3.01Å; R696-E700 HydrophobicContact CG-CB 4.36Å; R696-E700 HydrophobicContact CG-CG 4.32Å; R696-E700 WeakPolarHBondContact O-CA 3.32Å; R696-E700 WeakPolarHBondContact O-CB 3.38Å; R696-E700 PolarHBondContact O-N 3.17Å
697	I	87.3	Confident	92.1	Very high	26 Å²	26	14.7 Å²	14.7	13%	0.133	7%	0.074	C	C	.	.	I	π-helix	trans	-59.9	-40.4	-171.3	-60.8	169.5	0	0	0	111.1	G209 A695 T701 N702	G209-I697 WeakPolarHBondContact O-CD1 3.42Å; A695-I697 PolarHBondContact O-N 3.38Å; I697-T701 WeakPolarHBondContact O-CB 3.15Å; I697-N702 PolarHBondContact O-N 2.94Å
698	H	91.2	Very high	92.1	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.014	7%	0.065	C	C	.	.	I	π-helix	trans	-66.9	-49.9	-176.1	-172.8	55.9	0	0	0	111.9	Y668 A677 A695 R696 N702 L703	Y668-H698 AromaticContact CD1-CD2 3.74Å; Y668-H698 AromaticContact CD1-NE2 3.81Å; Y668-H698 AromaticContact CE1-CD2 3.85Å; Y668-H698 AromaticContact CE1-NE2 3.4Å; Y668-H698 WeakPolarHBondContact CE1-NE2 3.45Å; A677-H698 PolarHBondContact O-CE1 3.42Å; A695-H698 PolarHBondContact O-N 3.04Å; R696-H698 VanDerWaalsContact C-N 3.27Å; R696-H698 PolarHBondContact O-N 2.5Å; H698-N702 PolarHBondContact O-N 3.19Å; H698-L703 WeakPolarHBondContact O-CG 3.15Å; H698-L703 PolarHBondContact O-N 2.8Å
699	A	78.3	Confident	92.1	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.025	7%	0.065	C	C	.	.	I	π-helix	trans	-93.9	-42.8	-174.1	0	0	0	0	0	115.1	F694 A695 R696 T701 L703 K704 P710	F694-A699 HydrophobicContact CB-CB 3.21Å; F694-A699 HydrophobicContact CD1-CB 3.54Å; F694-A699 HydrophobicContact CD2-CB 3.55Å; F694-A699 HydrophobicContact CE1-CB 4.19Å; F694-A699 HydrophobicContact CE2-CB 4.18Å; F694-A699 HydrophobicContact CG-CB 3.18Å; F694-A699 HydrophobicContact CZ-CB 4.48Å; A695-A699 PolarHBondContact O-N 2.99Å; R696-A699 PolarHBondContact O-N 3.01Å; A699-T701 PolarHBondContact O-N 2.97Å; A699-L703 HydrophobicContact CB-CD1 4.42Å; A699-K704 WeakPolarHBondContact O-CG 3.42Å; A699-P710 HydrophobicContact CB-CB 4.02Å
700	E	75.9	Confident	92.1	Very high	35 Å²	35	12.5 Å²	12.5	16%	0.164	7%	0.067	C	C	.	.	I	π-helix	trans	-69.5	-24.3	-177.2	-67	-62.2	161.5	0	0	112.1	Y90 R696 K704 T761	Y90-E700 PolarHBondContact OH-OE2 2.97Å; R696-E700 HydrophobicContact CG-CB 4.36Å; R696-E700 HydrophobicContact CG-CG 4.32Å; R696-E700 WeakPolarHBondContact O-CA 3.32Å; R696-E700 WeakPolarHBondContact O-CB 3.38Å; R696-E700 PolarHBondContact O-N 3.17Å; E700-K704 IonicContact OE2-NZ 2.8Å; E700-K704 PolarHBondContact OE2-NZ 3.24Å; E700-T761 WeakPolarHBondContact OE1-CB 3.37Å; E700-T761 WeakPolarHBondContact OE1-CG2 3.44Å; E700-T761 PolarHBondContact OE1-OG1 3.15Å; E700-T761 PolarHBondContact OE2-OG1 3.07Å
701	T	80.1	Confident	92.1	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.043	7%	0.067	C	C	.	.	I	π-helix	trans	-119.2	-72.1	-177.4	-57.3	0	0	0	0	111	D214 I697 A699 L703 K704 K705	D214-T701 HydrophobicContact CB-CG2 4.34Å; D214-T701 WeakPolarHBondContact OD1-CG2 3.39Å; D214-T701 WeakPolarHBondContact OD2-CG2 3.27Å; D214-T701 PolarHBondContact OD2-OG1 3.11Å; I697-T701 WeakPolarHBondContact O-CB 3.15Å; A699-T701 PolarHBondContact O-N 2.97Å; T701-L703 PolarHBondContact O-N 3.02Å; T701-K704 PolarHBondContact O-N 2.8Å; T701-K705 HydrophobicContact CG2-CG 4.09Å; T701-K705 WeakPolarHBondContact O-CB 3.23Å; T701-K705 VanDerWaalsContact O-CG 3.24Å; T701-K705 WeakPolarHBondContact O-CG 3.35Å; T701-K705 PolarHBondContact O-N 2.92Å
702	N	93.4	Very high	92.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.011	8%	0.077	C	C	.	.	I	π-helix	trans	-65.4	-47.6	-159.4	-66.6	-12.4	0	0	0	112.9	G211 S673 A678 I697 H698 K704 K705 Q706	G211-N702 WeakPolarHBondContact CA-OD1 3.31Å; S673-N702 PolarHBondContact O-ND2 3.39Å; S673-N702 VanDerWaalsContact O-ND2 3.14Å; A678-N702 HydrophobicContact CB-CB 3.77Å; A678-N702 WeakPolarHBondContact CB-O 3.46Å; I697-N702 PolarHBondContact O-N 2.94Å; H698-N702 PolarHBondContact O-N 3.19Å; N702-K704 PolarHBondContact O-N 2.75Å; N702-K705 PolarHBondContact O-N 3.47Å; N702-Q706 WeakPolarHBondContact O-CG 3.47Å; N702-Q706 PolarHBondContact O-N 2.64Å; N702-Q706 VanDerWaalsContact O-N 3.15Å
703	L	96.1	Very high	92.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-61.4	-45.4	179.3	-69	173.3	0	0	0	111.9	A678 I689 F694 H698 A699 T701 Q706 G707 L708 P710	A678-L703 HydrophobicContact CB-CD2 3.8Å; A678-L703 HydrophobicContact CB-CG 4.33Å; I689-L703 HydrophobicContact CB-CD1 4.44Å; I689-L703 HydrophobicContact CD1-CD1 3.9Å; I689-L703 HydrophobicContact CD1-CD2 3.51Å; I689-L703 HydrophobicContact CD1-CG 4.39Å; I689-L703 HydrophobicContact CG1-CD1 4.48Å; I689-L703 HydrophobicContact CG1-CD2 4.4Å; F694-L703 HydrophobicContact CD1-CD1 4.48Å; F694-L703 HydrophobicContact CE1-CD1 3.84Å; F694-L703 HydrophobicContact CZ-CD1 4.24Å; H698-L703 WeakPolarHBondContact O-CG 3.15Å; H698-L703 PolarHBondContact O-N 2.8Å; A699-L703 HydrophobicContact CB-CD1 4.42Å; T701-L703 PolarHBondContact O-N 3.02Å; L703-Q706 PolarHBondContact O-N 2.86Å; L703-G707 PolarHBondContact O-N 3.15Å; L703-L708 HydrophobicContact CB-CB 4.3Å; L703-L708 HydrophobicContact CD2-CB 4.24Å; L703-L708 HydrophobicContact CD2-CD1 3.5Å; L703-L708 WeakPolarHBondContact O-CB 3.16Å; L703-L708 PolarHBondContact O-N 2.97Å; L703-P710 HydrophobicContact CB-CB 4.13Å; L703-P710 HydrophobicContact CB-CG 4.04Å; L703-P710 HydrophobicContact CD1-CB 3.84Å
704	K	95.6	Very high	92.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-43.1	178.1	-59	-177.5	-174.6	170.1	0	111.8	Y90 A699 E700 T701 N702 Q706 G707 P710 T761 F762 Q766 W769	Y90-K704 PolarHBondContact OH-NZ 3.35Å; A699-K704 WeakPolarHBondContact O-CG 3.42Å; E700-K704 IonicContact OE2-NZ 2.8Å; E700-K704 PolarHBondContact OE2-NZ 3.24Å; T701-K704 PolarHBondContact O-N 2.8Å; N702-K704 PolarHBondContact O-N 2.75Å; K704-Q706 PolarHBondContact O-N 2.92Å; K704-G707 PolarHBondContact O-N 3.4Å; K704-P710 HydrophobicContact CD-CG 4.5Å; K704-P710 HydrophobicContact CG-CG 3.64Å; K704-T761 PolarHBondContact NZ-O 2.76Å; K704-T761 PolarHBondContact NZ-OG1 2.75Å; K704-F762 HydrophobicContact CB-CE1 4.08Å; K704-F762 HydrophobicContact CB-CZ 4.26Å; K704-F762 HydrophobicContact CD-CD1 4.24Å; K704-F762 HydrophobicContact CD-CD2 4.47Å; K704-F762 HydrophobicContact CD-CE1 4.11Å; K704-F762 HydrophobicContact CD-CE2 4.37Å; K704-F762 HydrophobicContact CD-CG 4.43Å; K704-F762 HydrophobicContact CD-CZ 4.2Å; K704-F762 HydrophobicContact CG-CD1 4.44Å; K704-F762 HydrophobicContact CG-CE1 3.81Å; K704-F762 HydrophobicContact CG-CE2 4.12Å; K704-F762 HydrophobicContact CG-CZ 3.65Å; K704-Q766 HydrophobicContact CD-CB 4.33Å; K704-Q766 HydrophobicContact CD-CG 4.23Å; K704-Q766 VanDerWaalsContact CD-OE1 3.24Å; K704-W769 HydrophobicContact CB-CE3 4.43Å
705	K	94	Very high	92.3	Very high	2 Å²	2	15 Å²	15	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-34.8	177.7	-76.9	-69.3	-169.6	-176.7	0	112.5	A213 D214 D217 T701 N702 G707 W769 S774 A775	A213-K705 HydrophobicContact CB-CB 3.99Å; A213-K705 HydrophobicContact CB-CD 4.06Å; A213-K705 HydrophobicContact CB-CG 3.97Å; D214-K705 WeakPolarHBondContact OD1-CE 3.28Å; D217-K705 IonicContact OD1-NZ 3.84Å; D217-K705 PolarHBondContact OD1-NZ 2.8Å; D217-K705 VanDerWaalsContact OD1-NZ 3.1Å; D217-K705 IonicContact OD2-NZ 3.59Å; D217-K705 PolarHBondContact OD2-NZ 3.46Å; T701-K705 HydrophobicContact CG2-CG 4.09Å; T701-K705 WeakPolarHBondContact O-CB 3.23Å; T701-K705 VanDerWaalsContact O-CG 3.24Å; T701-K705 WeakPolarHBondContact O-CG 3.35Å; T701-K705 PolarHBondContact O-N 2.92Å; N702-K705 PolarHBondContact O-N 3.47Å; K705-G707 VanDerWaalsContact C-N 3.33Å; K705-W769 HydrophobicContact CD-CD2 4.41Å; K705-W769 HydrophobicContact CD-CE3 3.87Å; K705-W769 HydrophobicContact CD-CH2 4.02Å; K705-W769 HydrophobicContact CD-CZ3 3.65Å; K705-W769 VanDerWaalsContact CE-CH2 3.47Å; K705-W769 HydrophobicContact CG-CE3 4.42Å; K705-W769 HydrophobicContact CG-CZ3 4.14Å; K705-W769 VanDerWaalsContact NZ-CH2 3.28Å; K705-W769 VanDerWaalsContact NZ-CZ2 3.31Å; K705-S774 CarbonylContact O-C 3.44Å; K705-S774 WeakPolarHBondContact O-CA 3.26Å; K705-S774 WeakPolarHBondContact O-CB 3.44Å; K705-A775 HydrophobicContact CB-CB 4.42Å; K705-A775 HydrophobicContact CD-CB 3.32Å; K705-A775 HydrophobicContact CG-CB 4.46Å; K705-A775 PolarHBondContact O-N 3.18Å
706	Q	95.7	Very high	92.4	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.023	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.4	177.9	-52.3	-49.3	-26.1	0	0	114	A678 L679 R682 N702 L703 K704 L708	A678-Q706 HydrophobicContact CB-CB 4.46Å; A678-Q706 HydrophobicContact CB-CG 3.97Å; L679-Q706 HydrophobicContact CD2-CG 3.81Å; L679-Q706 HydrophobicContact CG-CG 4.05Å; R682-Q706 HydrophobicContact CB-CB 4.44Å; R682-Q706 WeakPolarHBondContact CD-O 3.5Å; R682-Q706 HydrophobicContact CG-CB 4.46Å; R682-Q706 WeakPolarHBondContact CG-O 3.35Å; R682-Q706 PolarHBondContact NE-O 2.73Å; R682-Q706 VanDerWaalsContact NE-O 3.17Å; N702-Q706 WeakPolarHBondContact O-CG 3.47Å; N702-Q706 PolarHBondContact O-N 2.64Å; N702-Q706 VanDerWaalsContact O-N 3.15Å; L703-Q706 PolarHBondContact O-N 2.86Å; K704-Q706 PolarHBondContact O-N 2.92Å; Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.18Å
707	G	95.1	Very high	92.7	Very high	8 Å²	8	21 Å²	21	8%	0.082	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	20.5	176.9	0	0	0	0	0	114.7	L703 K704 K705 G773	L703-G707 PolarHBondContact O-N 3.15Å; K704-G707 PolarHBondContact O-N 3.4Å; K705-G707 VanDerWaalsContact C-N 3.33Å; G707-G773 WeakPolarHBondContact CA-O 3.27Å
708	L	96.9	Very high	93.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.119	C	C	.	.			trans	-84.3	158.7	167.6	-69.3	167.6	0	0	0	110.3	A678 P681 R682 G686 L703 Q706 P710	A678-L708 WeakPolarHBondContact O-CD1 3.48Å; P681-L708 HydrophobicContact CB-CD1 3.97Å; R682-L708 HydrophobicContact CB-CD1 4.06Å; R682-L708 HydrophobicContact CB-CD2 4.36Å; R682-L708 HydrophobicContact CB-CG 4.15Å; G686-L708 WeakPolarHBondContact O-CD2 3.41Å; L703-L708 HydrophobicContact CB-CB 4.3Å; L703-L708 HydrophobicContact CD2-CB 4.24Å; L703-L708 HydrophobicContact CD2-CD1 3.5Å; L703-L708 WeakPolarHBondContact O-CB 3.16Å; L703-L708 PolarHBondContact O-N 2.97Å; Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.18Å; L708-P710 WeakPolarHBondContact O-CD 3.31Å
709	L	97.5	Very high	93.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	96.4	173.1	-66.5	172.5	0	0	0	111	L582 R687 A688 I689 L711 I730 L733 F736 F762 F770	L582-L709 HydrophobicContact CD1-CD1 3.68Å; R687-L709 PolarHBondContact O-N 3.39Å; A688-L709 WeakPolarHBondContact CA-O 3.49Å; A688-L709 HydrophobicContact CB-CB 3.9Å; I689-L709 PolarHBondContact N-O 2.94Å; L709-L711 HydrophobicContact CB-CD1 4.29Å; L709-L711 HydrophobicContact CB-CG 4.13Å; L709-L711 PolarHBondContact O-N 3.28Å; L709-I730 HydrophobicContact CD1-CD1 4.45Å; L709-L733 HydrophobicContact CD1-CD1 4.28Å; L709-L733 HydrophobicContact CD1-CD2 3.84Å; L709-L733 HydrophobicContact CD2-CD2 4.5Å; L709-F736 HydrophobicContact CD2-CE1 3.94Å; L709-F736 HydrophobicContact CD2-CZ 4.17Å; L709-F762 HydrophobicContact CD2-CE2 4.33Å; L709-F762 HydrophobicContact CD2-CZ 4.14Å; L709-F770 HydrophobicContact CD1-CE2 3.95Å; L709-F770 HydrophobicContact CD1-CZ 4.17Å; L709-F770 HydrophobicContact CD2-CD2 3.64Å; L709-F770 HydrophobicContact CD2-CE2 3.63Å; L709-F770 HydrophobicContact CD2-CG 4.15Å; L709-F770 HydrophobicContact CD2-CZ 4.13Å; L709-F770 HydrophobicContact CG-CD2 4.02Å; L709-F770 HydrophobicContact CG-CE2 3.64Å; L709-F770 HydrophobicContact CG-CZ 4.3Å
710	P	97.1	Very high	94.2	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.032	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	110.1	163.7	28.3	-32.4	0	0	0	109.6	F694 A699 L703 K704 L708 F762	F694-P710 HydrophobicContact CD2-CB 4.38Å; F694-P710 HydrophobicContact CE2-CB 3.69Å; F694-P710 HydrophobicContact CZ-CB 3.78Å; A699-P710 HydrophobicContact CB-CB 4.02Å; L703-P710 HydrophobicContact CB-CB 4.13Å; L703-P710 HydrophobicContact CB-CG 4.04Å; L703-P710 HydrophobicContact CD1-CB 3.84Å; K704-P710 HydrophobicContact CD-CG 4.5Å; K704-P710 HydrophobicContact CG-CG 3.64Å; L708-P710 WeakPolarHBondContact O-CD 3.31Å; P710-F762 HydrophobicContact CG-CE2 3.94Å; P710-F762 HydrophobicContact CG-CZ 4.22Å
711	L	97.6	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.2	-178.8	-61.2	178.8	0	0	0	110.5	I689 I690 V691 F694 L709 I730 L742 L758 H760	I689-L711 PolarHBondContact O-N 2.69Å; I690-L711 WeakPolarHBondContact CA-O 3.31Å; I690-L711 HydrophobicContact CG1-CB 4.34Å; V691-L711 PolarHBondContact N-O 2.79Å; F694-L711 WeakPolarHBondContact CE2-O 3.44Å; L709-L711 HydrophobicContact CB-CD1 4.29Å; L709-L711 HydrophobicContact CB-CG 4.13Å; L709-L711 PolarHBondContact O-N 3.28Å; L711-I730 HydrophobicContact CD1-CD1 3.64Å; L711-I730 HydrophobicContact CD1-CG1 4.46Å; L711-I730 HydrophobicContact CD1-CG2 4.38Å; L711-L742 HydrophobicContact CD1-CD1 4.37Å; L711-L742 HydrophobicContact CD2-CD1 4Å; L711-L758 HydrophobicContact CB-CB 4.28Å; L711-L758 HydrophobicContact CB-CD1 4.13Å; L711-L758 HydrophobicContact CD1-CB 4.35Å; L711-L758 HydrophobicContact CD1-CD1 3.61Å; L711-L758 HydrophobicContact CG-CD1 4.49Å; L711-H760 HydrophobicContact CD2-CB 3.87Å
712	T	97.4	Very high	95.8	Very high	36 Å²	36	27.8 Å²	27.8	22%	0.221	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142	177.6	48.9	0	0	0	0	110.2	V691 F694 S714 L758 S759	V691-T712 HydrophobicContact CG2-CG2 4.29Å; V691-T712 CarbonylContact O-C 3.42Å; V691-T712 WeakPolarHBondContact O-CA 3.35Å; F694-T712 HydrophobicContact CD2-CG2 3.78Å; F694-T712 HydrophobicContact CE2-CG2 4.02Å; T712-S714 PolarHBondContact O-N 3.3Å; T712-L758 CarbonylContact O-C 3.59Å; T712-L758 WeakPolarHBondContact O-CA 3.28Å; T712-S759 PolarHBondContact N-O 3.38Å; T712-S759 PolarHBondContact O-N 3.08Å; T712-S759 PolarHBondContact OG1-O 2.98Å
713	F	97.4	Very high	95.8	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.039	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.5	171.9	-62.6	-73	0	0	0	109.9	V663 I690 V691 K692 N715 D718 Y719 I722 I756 L758	V663-F713 HydrophobicContact CG1-CE2 4.42Å; V663-F713 HydrophobicContact CG1-CZ 3.99Å; I690-F713 HydrophobicContact CB-CZ 4.37Å; I690-F713 HydrophobicContact CG2-CD1 4.03Å; I690-F713 HydrophobicContact CG2-CD2 4.46Å; I690-F713 HydrophobicContact CG2-CE1 3.53Å; I690-F713 HydrophobicContact CG2-CE2 3.99Å; I690-F713 HydrophobicContact CG2-CG 4.47Å; I690-F713 HydrophobicContact CG2-CZ 3.5Å; I690-F713 VanDerWaalsContact CG2-CZ 3.5Å; V691-F713 WeakPolarHBondContact O-CD2 3.26Å; V691-F713 PolarHBondContact O-N 2.84Å; K692-F713 HydrophobicContact CG-CD2 4.14Å; F713-N715 VanDerWaalsContact CB-O 3.32Å; F713-N715 WeakPolarHBondContact CB-O 3.47Å; F713-D718 HydrophobicContact CD1-CB 3.83Å; F713-D718 HydrophobicContact CE1-CB 4.37Å; F713-D718 HydrophobicContact CG-CB 4.48Å; F713-Y719 HydrophobicContact CE2-CD2 4.11Å; F713-I722 HydrophobicContact CE1-CD1 3.63Å; F713-I722 HydrophobicContact CZ-CD1 3.81Å; F713-I756 HydrophobicContact CD1-CD1 3.87Å; F713-I756 HydrophobicContact CE1-CD1 3.7Å; F713-L758 HydrophobicContact CD1-CD2 3.85Å; F713-L758 HydrophobicContact CE1-CD2 4.28Å
714	S	95.7	Very high	95.7	Very high	57 Å²	57	34.8 Å²	34.8	40%	0.399	18%	0.182	S	C	.	.	S	Bend	trans	-70.1	-29.3	173	-52.2	0	0	0	0	111.1	T712 S757 S759	T712-S714 PolarHBondContact O-N 3.3Å; S714-S757 VanDerWaalsContact CB-O 3.25Å; S714-S757 WeakPolarHBondContact CB-O 3.28Å; S714-S757 PolarHBondContact N-O 3.22Å; S714-S757 VanDerWaalsContact OG-C 3.3Å; S714-S757 PolarHBondContact OG-O 3.48Å; S714-S757 PolarHBondContact OG-OG 3.2Å; S714-S759 PolarHBondContact OG-N 2.96Å; S714-S759 PolarHBondContact OG-OG 3.47Å
715	N	95.7	Very high	95.6	Very high	70 Å²	70	37.3 Å²	37.3	37%	0.374	20%	0.195	S	C	.	.	S	Bend	trans	-117.9	112.5	163.9	179.9	7.9	0	0	0	109.6	F713 D717 D718	F713-N715 VanDerWaalsContact CB-O 3.32Å; F713-N715 WeakPolarHBondContact CB-O 3.47Å; N715-D717 PolarHBondContact O-N 3.16Å; N715-D717 PolarHBondContact OD1-N 2.87Å; N715-D718 VanDerWaalsContact O-CB 3.29Å; N715-D718 WeakPolarHBondContact O-CB 3.38Å; N715-D718 PolarHBondContact O-N 3.39Å
716	P	94.3	Very high	95.7	Very high	61 Å²	61	37.3 Å²	37.3	40%	0.396	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26	-179.9	-27.6	35.7	0	0	0	115.3	K692 D718 Y719	K692-P716 HydrophobicContact CD-CB 4.12Å; K692-P716 WeakPolarHBondContact CE-O 3.29Å; K692-P716 HydrophobicContact CG-CB 4.13Å; P716-D718 PolarHBondContact O-N 3.4Å; P716-Y719 VanDerWaalsContact O-CB 3.25Å; P716-Y719 WeakPolarHBondContact O-CB 3.5Å; P716-Y719 PolarHBondContact O-N 3.29Å
717	D	95.2	Very high	95.8	Very high	111 Å²	111	37.6 Å²	37.6	59%	0.594	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.4	177.7	-61.2	-21.7	0	0	0	112.4	N715 Y719 D720	N715-D717 PolarHBondContact O-N 3.16Å; N715-D717 PolarHBondContact OD1-N 2.87Å; D717-Y719 PolarHBondContact O-N 3.03Å; D717-Y719 VanDerWaalsContact O-N 3.12Å; D717-D720 PolarHBondContact O-N 3.49Å
718	D	95.9	Very high	95.9	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-17.4	174.7	-71.1	-28.1	0	0	0	112.4	F713 N715 P716 D720 R721 I756	F713-D718 HydrophobicContact CD1-CB 3.83Å; F713-D718 HydrophobicContact CE1-CB 4.37Å; F713-D718 HydrophobicContact CG-CB 4.48Å; N715-D718 VanDerWaalsContact O-CB 3.29Å; N715-D718 WeakPolarHBondContact O-CB 3.38Å; N715-D718 PolarHBondContact O-N 3.39Å; P716-D718 PolarHBondContact O-N 3.4Å; D718-D720 PolarHBondContact O-N 2.86Å; D718-R721 WeakPolarHBondContact O-CB 3.2Å; D718-R721 PolarHBondContact O-N 3.41Å; D718-R721 WeakPolarHBondContact OD1-CD 3.33Å; D718-R721 IonicContact OD1-CZ 3.81Å; D718-R721 IonicContact OD1-NE 3.46Å; D718-R721 IonicContact OD1-NH1 2.72Å; D718-R721 PolarHBondContact OD1-NH1 2.9Å; D718-I756 HydrophobicContact CB-CB 4.36Å; D718-I756 HydrophobicContact CB-CD1 4.21Å; D718-I756 HydrophobicContact CB-CG2 4.04Å
719	Y	96.1	Very high	95.9	Very high	5 Å²	5	38 Å²	38	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-54.1	-40.3	169.8	172.1	-92.2	0	0	0	112	K590 V591 M627 V663 G664 F713 P716 D717 R721	K590-Y719 VanDerWaalsContact CE-CZ 3.45Å; K590-Y719 WeakPolarHBondContact CE-O 3.29Å; K590-Y719 HydrophobicContact CG-CE2 4.23Å; K590-Y719 PolarHBondContact NZ-O 3.44Å; V591-Y719 PolarHBondContact O-OH 2.89Å; M627-Y719 HydrophobicContact CE-CE1 3.97Å; M627-Y719 HydrophobicContact SD-CE1 3.9Å; M627-Y719 PolarHBondContact SD-OH 2.81Å; M627-Y719 VanDerWaalsContact SD-OH 3.4Å; V663-Y719 HydrophobicContact CG1-CD2 3.87Å; V663-Y719 HydrophobicContact CG1-CE2 3.99Å; G664-Y719 WeakPolarHBondContact O-CD2 3.15Å; G664-Y719 WeakPolarHBondContact O-CE2 3.18Å; F713-Y719 HydrophobicContact CE2-CD2 4.11Å; P716-Y719 VanDerWaalsContact O-CB 3.25Å; P716-Y719 WeakPolarHBondContact O-CB 3.5Å; P716-Y719 PolarHBondContact O-N 3.29Å; D717-Y719 PolarHBondContact O-N 3.03Å; D717-Y719 VanDerWaalsContact O-N 3.12Å; Y719-R721 VanDerWaalsContact C-N 3.28Å; Y719-R721 PolarHBondContact O-N 2.84Å
720	D	94.9	Very high	95.9	Very high	105 Å²	105	38 Å²	38	56%	0.561	20%	0.199	S	C	*	.	H	α-helix	trans	-76.7	-17.6	-176.1	-69.7	-42.2	0	0	0	113	D717 D718	D717-D720 PolarHBondContact O-N 3.49Å; D718-D720 PolarHBondContact O-N 2.86Å
721	R	94.3	Very high	95.9	Very high	92 Å²	92	40 Å²	40	35%	0.347	21%	0.211	S	C	.	.	H	α-helix	trans	-75.2	-28.1	178.1	-61.4	169.5	69.5	-178.8	-1	112.7	D718 Y719 E754	D718-R721 WeakPolarHBondContact O-CB 3.2Å; D718-R721 PolarHBondContact O-N 3.41Å; D718-R721 WeakPolarHBondContact OD1-CD 3.33Å; D718-R721 IonicContact OD1-CZ 3.81Å; D718-R721 IonicContact OD1-NE 3.46Å; D718-R721 IonicContact OD1-NH1 2.72Å; D718-R721 PolarHBondContact OD1-NH1 2.9Å; Y719-R721 VanDerWaalsContact C-N 3.28Å; Y719-R721 PolarHBondContact O-N 2.84Å; R721-E754 IonicContact CZ-OE2 3.66Å; R721-E754 IonicContact NE-OE2 2.77Å; R721-E754 PolarHBondContact NE-OE2 2.75Å; R721-E754 IonicContact NH2-OE2 3.68Å; R721-E754 PolarHBondContact NH2-OE2 2.89Å
722	I	95.2	Very high	95.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.			trans	-82.6	127.6	-179.4	-61.9	169.6	0	0	0	110.8	V587 K590 V663 F713 I728 I746 I756	V587-I722 HydrophobicContact CG2-CG2 4.18Å; K590-I722 WeakPolarHBondContact CD-O 3.5Å; K590-I722 WeakPolarHBondContact CE-O 3.42Å; K590-I722 PolarHBondContact NZ-O 2.88Å; V663-I722 HydrophobicContact CG1-CD1 4.44Å; V663-I722 HydrophobicContact CG2-CD1 4.28Å; V663-I722 HydrophobicContact CG2-CG2 4.11Å; F713-I722 HydrophobicContact CE1-CD1 3.63Å; F713-I722 HydrophobicContact CZ-CD1 3.81Å; I722-I728 HydrophobicContact CD1-CD1 3.93Å; I722-I728 HydrophobicContact CG1-CD1 4.4Å; I722-I728 HydrophobicContact CG2-CD1 3.95Å; I722-I746 HydrophobicContact CD1-CD1 4.29Å; I722-I746 HydrophobicContact CG1-CD1 3.51Å; I722-I746 HydrophobicContact CG1-CG1 4.04Å; I722-I756 HydrophobicContact CD1-CD1 4.1Å
723	R	94.6	Very high	95.4	Very high	123 Å²	123	39.5 Å²	39.5	46%	0.464	21%	0.212	S	C	.	.			trans	-102.5	152.9	174.4	-55	177.9	-176.3	165.2	6.2	111.5	D725 D726	R723-D725 VanDerWaalsContact CB-OD1 3.25Å; R723-D725 WeakPolarHBondContact CB-OD1 3.25Å; R723-D725 PolarHBondContact O-N 3.46Å; R723-D726 WeakPolarHBondContact CB-OD2 3.38Å; R723-D726 PolarHBondContact N-OD2 2.97Å; R723-D726 WeakPolarHBondContact O-CB 3.37Å; R723-D726 PolarHBondContact O-N 2.87Å
724	P	93.3	Very high	95.2	Very high	27 Å²	27	46.7 Å²	46.7	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.6	-179.9	-25	35.3	0	0	0	115.6	K590 E628 Q638	K590-P724 HydrophobicContact CB-CG 4.42Å; E628-P724 HydrophobicContact CB-CB 4.41Å; E628-P724 HydrophobicContact CB-CG 3.99Å; E628-P724 HydrophobicContact CG-CG 4.32Å; Q638-P724 PolarHBondContact NE2-O 3.35Å
725	D	94.4	Very high	95	Very high	53 Å²	53	46.7 Å²	46.7	28%	0.283	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.8	179.7	60.6	-35.3	0	0	0	114.2	R723 C749	R723-D725 VanDerWaalsContact CB-OD1 3.25Å; R723-D725 WeakPolarHBondContact CB-OD1 3.25Å; R723-D725 PolarHBondContact O-N 3.46Å; D725-C749 WeakPolarHBondContact OD2-CB 3.44Å; D725-C749 PolarHBondContact OD2-SG 3.39Å
726	D	96.1	Very high	94.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.229	C	C	.	.			trans	-68.4	158.3	178	-65.8	-20.4	0	0	0	112.3	R723 I746 K747 H748	R723-D726 WeakPolarHBondContact CB-OD2 3.38Å; R723-D726 PolarHBondContact N-OD2 2.97Å; R723-D726 WeakPolarHBondContact O-CB 3.37Å; R723-D726 PolarHBondContact O-N 2.87Å; D726-I746 HydrophobicContact CB-CG2 3.9Å; D726-I746 VanDerWaalsContact OD2-CG2 3.31Å; D726-I746 WeakPolarHBondContact OD2-CG2 3.38Å; D726-K747 WeakPolarHBondContact CA-O 3.46Å; D726-H748 WeakPolarHBondContact OD1-CA 3.33Å; D726-H748 IonicContact OD1-CE1 2.67Å; D726-H748 IonicContact OD1-CG 3.14Å; D726-H748 IonicContact OD1-ND1 3.56Å; D726-H748 PolarHBondContact OD1-ND1 2.93Å; D726-H748 IonicContact OD2-CE1 3.18Å; D726-H748 PolarHBondContact OD2-CE1 3.39Å; D726-H748 VanDerWaalsContact OD2-CE1 3.3Å; D726-H748 IonicContact OD2-ND1 2.86Å; D726-H748 PolarHBondContact OD2-ND1 2.89Å; D726-H748 VanDerWaalsContact OD2-ND1 3.08Å
727	T	96.8	Very high	95	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.4	161.1	61.9	0	0	0	0	110.9	D584 M585 K747	D584-T727 PolarHBondContact OD1-OG1 2.95Å; M585-T727 CarbonylContact O-C 3.56Å; M585-T727 VanDerWaalsContact O-CA 3.3Å; M585-T727 WeakPolarHBondContact O-CA 3.33Å; T727-K747 PolarHBondContact N-O 3.27Å; T727-K747 PolarHBondContact O-N 3.03Å
728	I	97.4	Very high	94.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	-178.7	-58.1	-175	0	0	0	109.4	M585 V587 V661 V663 I690 I722 I730 A744 V745	M585-I728 WeakPolarHBondContact CB-O 3.19Å; M585-I728 PolarHBondContact N-O 3.33Å; M585-I728 PolarHBondContact O-N 3.09Å; V587-I728 HydrophobicContact CG2-CD1 3.86Å; V587-I728 HydrophobicContact CG2-CG1 4.2Å; V661-I728 HydrophobicContact CG2-CB 4.37Å; V661-I728 HydrophobicContact CG2-CD1 3.98Å; V661-I728 HydrophobicContact CG2-CG1 4.48Å; V663-I728 HydrophobicContact CG2-CD1 4.27Å; I690-I728 HydrophobicContact CD1-CD1 4.27Å; I690-I728 HydrophobicContact CD1-CG2 4.16Å; I722-I728 HydrophobicContact CD1-CD1 3.93Å; I722-I728 HydrophobicContact CG1-CD1 4.4Å; I722-I728 HydrophobicContact CG2-CD1 3.95Å; I728-I730 HydrophobicContact CG2-CG1 4.46Å; I728-A744 HydrophobicContact CG2-CB 4.01Å; I728-V745 WeakPolarHBondContact CA-O 3.2Å
729	S	97.8	Very high	94.6	Very high	17 Å²	17	43 Å²	43	12%	0.119	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.8	170.5	-58.1	0	0	0	0	110.3	L582 D584 A744 V745	L582-S729 CarbonylContact O-C 3.51Å; L582-S729 WeakPolarHBondContact O-CA 3.45Å; D584-S729 PolarHBondContact N-OG 3.43Å; S729-A744 CarbonylContact O-C 3.48Å; S729-A744 WeakPolarHBondContact O-CA 3.33Å; S729-V745 PolarHBondContact N-O 2.93Å; S729-V745 PolarHBondContact O-N 2.86Å
730	I	97.3	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.2	174.8	-59.8	173.3	0	0	0	108.2	D581 L582 M585 A688 L709 L711 I728 L733 L742	D581-I730 WeakPolarHBondContact CB-O 3.44Å; L582-I730 HydrophobicContact CB-CB 4.41Å; L582-I730 PolarHBondContact N-O 3.26Å; L582-I730 VanDerWaalsContact N-O 3.15Å; L582-I730 PolarHBondContact O-N 3.06Å; M585-I730 HydrophobicContact CE-CB 4.31Å; M585-I730 HydrophobicContact CE-CD1 3.64Å; M585-I730 HydrophobicContact CE-CG1 3.69Å; A688-I730 HydrophobicContact CB-CD1 3.49Å; A688-I730 VanDerWaalsContact CB-CD1 3.49Å; L709-I730 HydrophobicContact CD1-CD1 4.45Å; L711-I730 HydrophobicContact CD1-CD1 3.64Å; L711-I730 HydrophobicContact CD1-CG1 4.46Å; L711-I730 HydrophobicContact CD1-CG2 4.38Å; I728-I730 HydrophobicContact CG2-CG1 4.46Å; I730-L733 HydrophobicContact CG2-CD2 4.37Å; I730-L733 HydrophobicContact CG2-CG 4.43Å; I730-L742 HydrophobicContact CG2-CB 4.34Å; I730-L742 HydrophobicContact CG2-CD1 3.98Å
731	T	95.9	Very high	94.6	Very high	46 Å²	46	45.5 Å²	45.5	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	156.3	-177.2	62.1	0	0	0	0	111.9	D581 T743 V745	D581-T731 WeakPolarHBondContact OD2-CA 3.2Å; T731-T743 PolarHBondContact N-O 2.91Å; T731-T743 PolarHBondContact O-N 2.73Å; T731-T743 PolarHBondContact OG1-O 3.37Å; T731-V745 HydrophobicContact CG2-CG2 4.48Å
732	G	92.8	Very high	94.7	Very high	23 Å²	23	41.4 Å²	41.4	24%	0.237	24%	0.241	C	C	.	.			trans	95.3	9.1	177.2	0	0	0	0	0	115	D581 K734 S735 F736	D581-G732 PolarHBondContact OD1-N 3.25Å; D581-G732 PolarHBondContact OD2-N 3.08Å; G732-K734 PolarHBondContact O-N 3.37Å; G732-S735 CarbonylContact O-C 3.6Å; G732-S735 PolarHBondContact O-N 2.95Å; G732-S735 PolarHBondContact O-OG 3.36Å; G732-S735 VanDerWaalsContact O-OG 3.1Å; G732-F736 PolarHBondContact O-N 3.41Å
733	L	92.9	Very high	94.8	Very high	3 Å²	3	44 Å²	44	2%	0.016	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.5	-26.8	-179.2	-66.9	176.5	0	0	0	112.6	W577 D581 L582 L709 I730 S735 F736 L742 F770	W577-L733 HydrophobicContact CZ2-CB 3.8Å; D581-L733 WeakPolarHBondContact OD1-CB 3.39Å; D581-L733 PolarHBondContact OD1-N 3.4Å; L582-L733 HydrophobicContact CB-CD1 4.41Å; L582-L733 HydrophobicContact CD1-CD1 3.99Å; L582-L733 HydrophobicContact CG-CD1 3.71Å; L709-L733 HydrophobicContact CD1-CD1 4.28Å; L709-L733 HydrophobicContact CD1-CD2 3.84Å; L709-L733 HydrophobicContact CD2-CD2 4.5Å; I730-L733 HydrophobicContact CG2-CD2 4.37Å; I730-L733 HydrophobicContact CG2-CG 4.43Å; L733-S735 PolarHBondContact O-N 2.81Å; L733-F736 HydrophobicContact CD2-CD1 4.43Å; L733-F736 WeakPolarHBondContact O-CB 3.47Å; L733-F736 PolarHBondContact O-N 3.21Å; L733-L742 HydrophobicContact CD2-CD1 3.73Å; L733-L742 HydrophobicContact CD2-CD2 4.29Å; L733-F770 HydrophobicContact CD1-CZ 4.16Å; L733-F770 HydrophobicContact CD2-CE1 4.37Å; L733-F770 HydrophobicContact CD2-CZ 4.31Å
734	K	91.9	Very high	95	Very high	160 Å²	160	38.2 Å²	38.2	70%	0.696	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-63.6	-28.4	171.9	-68.6	-176.4	-179.5	177	0	113.6	G579 G732	G579-K734 WeakPolarHBondContact O-CE 3.27Å; G732-K734 PolarHBondContact O-N 3.37Å
735	S	92.1	Very high	95.2	Very high	57 Å²	57	38.2 Å²	38.2	40%	0.399	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-110.6	24.2	-180	70.3	0	0	0	0	111.9	G732 L733 A737 K740	G732-S735 CarbonylContact O-C 3.6Å; G732-S735 PolarHBondContact O-N 2.95Å; G732-S735 PolarHBondContact O-OG 3.36Å; G732-S735 VanDerWaalsContact O-OG 3.1Å; L733-S735 PolarHBondContact O-N 2.81Å; S735-A737 PolarHBondContact O-N 3.02Å; S735-K740 PolarHBondContact OG-NZ 2.99Å
736	F	94	Very high	95.3	Very high	17 Å²	17	35.7 Å²	35.7	8%	0.075	22%	0.222	C	C	.	.			trans	-63.6	121.2	-176.9	-168.7	-165	0	0	0	109.5	L709 G732 L733 L742 H760 F762 I767 F770	L709-F736 HydrophobicContact CD2-CE1 3.94Å; L709-F736 HydrophobicContact CD2-CZ 4.17Å; G732-F736 PolarHBondContact O-N 3.41Å; L733-F736 HydrophobicContact CD2-CD1 4.43Å; L733-F736 WeakPolarHBondContact O-CB 3.47Å; L733-F736 PolarHBondContact O-N 3.21Å; F736-L742 HydrophobicContact CD2-CD1 4.45Å; F736-L742 HydrophobicContact CD2-CD2 4.16Å; F736-L742 HydrophobicContact CD2-CG 4.46Å; F736-L742 HydrophobicContact CE2-CD1 4.14Å; F736-L742 HydrophobicContact CE2-CG 4.41Å; F736-H760 AromaticContact CD2-NE2 3.9Å; F736-H760 AromaticContact CE2-CD2 3.65Å; F736-H760 AromaticContact CE2-CE1 3.38Å; F736-H760 WeakPolarHBondContact CE2-CE1 3.35Å; F736-H760 AromaticContact CE2-CG 3.77Å; F736-H760 AromaticContact CE2-ND1 3.61Å; F736-H760 AromaticContact CE2-NE2 3.41Å; F736-H760 WeakPolarHBondContact CE2-NE2 3.26Å; F736-F762 HydrophobicContact CE1-CD1 4.39Å; F736-F762 HydrophobicContact CE1-CG 4.35Å; F736-F762 HydrophobicContact CZ-CB 4.08Å; F736-F762 HydrophobicContact CZ-CD1 4.24Å; F736-F762 AromaticContact CZ-CD2 3.7Å; F736-F762 HydrophobicContact CZ-CD2 3.7Å; F736-F762 HydrophobicContact CZ-CE2 4.11Å; F736-F762 AromaticContact CZ-CG 3.76Å; F736-F762 HydrophobicContact CZ-CG 3.76Å; F736-I767 HydrophobicContact CD1-CD1 4.49Å; F736-I767 HydrophobicContact CD1-CG1 4.01Å; F736-I767 HydrophobicContact CD1-CG2 4.04Å; F736-I767 HydrophobicContact CD2-CD1 4.43Å; F736-I767 HydrophobicContact CE1-CG1 4Å; F736-I767 HydrophobicContact CG-CD1 4.32Å; F736-I767 HydrophobicContact CG-CG1 4.33Å; F736-I767 HydrophobicContact CZ-CG1 4.32Å; F736-F770 HydrophobicContact CD1-CD1 4.16Å; F736-F770 HydrophobicContact CD1-CE1 4.47Å; F736-F770 HydrophobicContact CE1-CD1 4.17Å; F736-F770 HydrophobicContact CE1-CG 4.49Å
737	A	95.1	Very high	95.4	Very high	32 Å²	32	39.6 Å²	39.6	26%	0.264	24%	0.239	S	C	.	.			trans	-145.6	150.4	-175.2	0	0	0	0	0	110	S735 G739 K740 H760	S735-A737 PolarHBondContact O-N 3.02Å; A737-G739 PolarHBondContact O-N 3.01Å; A737-K740 HydrophobicContact CB-CB 4.29Å; A737-K740 PolarHBondContact O-N 3.15Å; A737-H760 PolarHBondContact O-CE1 3.48Å; A737-H760 VanDerWaalsContact O-CE1 3.25Å; A737-H760 PolarHBondContact O-NE2 3.02Å
738	P	93.6	Very high	95.3	Very high	57 Å²	57	39.4 Å²	39.4	37%	0.37	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	134.1	177.2	-25.5	35.6	0	0	0	112.3	K740 E764 I767	P738-K740 PolarHBondContact O-N 3.07Å; P738-E764 WeakPolarHBondContact CD-OE1 3.31Å; P738-E764 HydrophobicContact CG-CG 3.95Å; P738-E764 WeakPolarHBondContact CG-OE1 3.4Å; P738-I767 HydrophobicContact CG-CD1 4.14Å
739	G	90.9	Very high	94.8	Very high	72 Å²	72	43.6 Å²	43.6	74%	0.742	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	0.3	178.3	0	0	0	0	0	115.7	A737 P741	A737-G739 PolarHBondContact O-N 3.01Å; G739-P741 WeakPolarHBondContact O-CD 3.37Å
740	K	94.8	Very high	94.4	Very high	103 Å²	103	48 Å²	48	45%	0.448	29%	0.288	S	S	.	.			trans	-97.4	109.5	176.7	-175.4	-174.8	177.4	-174.4	0	110.3	S735 A737 P738 H760	S735-K740 PolarHBondContact OG-NZ 2.99Å; A737-K740 HydrophobicContact CB-CB 4.29Å; A737-K740 PolarHBondContact O-N 3.15Å; P738-K740 PolarHBondContact O-N 3.07Å; K740-H760 PolarHBondContact O-CD2 3.07Å; K740-H760 PolarHBondContact O-NE2 3.47Å
741	P	95.5	Very high	94.1	Very high	60 Å²	60	50.5 Å²	50.5	39%	0.39	31%	0.313	S	S	.	.			trans	-56.7	148.3	179	-23.4	33.8	0	0	0	112.8	G739 S757 L758	G739-P741 WeakPolarHBondContact O-CD 3.37Å; P741-S757 WeakPolarHBondContact CB-OG 3.3Å; P741-L758 CarbonylContact C-O 3.58Å; P741-L758 WeakPolarHBondContact CA-O 3.41Å; P741-L758 WeakPolarHBondContact CB-O 3.37Å
742	L	97	Very high	94	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	161.4	170	-66.5	178.6	0	0	0	110.2	L711 I730 L733 F736 L758	L711-L742 HydrophobicContact CD1-CD1 4.37Å; L711-L742 HydrophobicContact CD2-CD1 4Å; I730-L742 HydrophobicContact CG2-CB 4.34Å; I730-L742 HydrophobicContact CG2-CD1 3.98Å; L733-L742 HydrophobicContact CD2-CD1 3.73Å; L733-L742 HydrophobicContact CD2-CD2 4.29Å; F736-L742 HydrophobicContact CD2-CD1 4.45Å; F736-L742 HydrophobicContact CD2-CD2 4.16Å; F736-L742 HydrophobicContact CD2-CG 4.46Å; F736-L742 HydrophobicContact CE2-CD1 4.14Å; F736-L742 HydrophobicContact CE2-CG 4.41Å; L742-L758 PolarHBondContact N-O 2.95Å; L742-L758 PolarHBondContact O-N 3.41Å
743	T	97.5	Very high	94.1	Very high	57 Å²	57	55.3 Å²	55.3	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.8	176.1	-57.9	0	0	0	0	109.5	T731 V745	T731-T743 PolarHBondContact N-O 2.91Å; T731-T743 PolarHBondContact O-N 2.73Å; T731-T743 PolarHBondContact OG1-O 3.37Å; T743-V745 HydrophobicContact CG2-CG2 4.5Å
744	A	97.3	Very high	94.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124	166.9	0	0	0	0	0	110	I728 S729 S755 I756 L758	I728-A744 HydrophobicContact CG2-CB 4.01Å; S729-A744 CarbonylContact O-C 3.48Å; S729-A744 WeakPolarHBondContact O-CA 3.33Å; A744-S755 WeakPolarHBondContact O-CA 3.47Å; A744-I756 HydrophobicContact CB-CD1 4.28Å; A744-I756 HydrophobicContact CB-CG1 3.8Å; A744-I756 PolarHBondContact N-O 3.06Å; A744-I756 PolarHBondContact O-N 3.26Å; A744-L758 HydrophobicContact CB-CD1 3.51Å; A744-L758 HydrophobicContact CB-CG 3.94Å
745	V	97.6	Very high	94.5	Very high	28 Å²	28	54.5 Å²	54.5	17%	0.17	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.4	171.9	-175.8	0	0	0	0	107.5	I728 S729 T731 T743 E754	I728-V745 WeakPolarHBondContact CA-O 3.2Å; S729-V745 PolarHBondContact N-O 2.93Å; S729-V745 PolarHBondContact O-N 2.86Å; T731-V745 HydrophobicContact CG2-CG2 4.48Å; T743-V745 HydrophobicContact CG2-CG2 4.5Å; V745-E754 CarbonylContact C-O 3.56Å; V745-E754 WeakPolarHBondContact CA-O 3.33Å
746	I	97.3	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.9	176.2	-53	162.7	0	0	0	106.9	I722 D726 Q753 E754 I756	I722-I746 HydrophobicContact CD1-CD1 4.29Å; I722-I746 HydrophobicContact CG1-CD1 3.51Å; I722-I746 HydrophobicContact CG1-CG1 4.04Å; D726-I746 HydrophobicContact CB-CG2 3.9Å; D726-I746 VanDerWaalsContact OD2-CG2 3.31Å; D726-I746 WeakPolarHBondContact OD2-CG2 3.38Å; I746-Q753 CarbonylContact O-C 3.48Å; I746-Q753 VanDerWaalsContact O-CA 3.24Å; I746-Q753 WeakPolarHBondContact O-CA 3.31Å; I746-E754 PolarHBondContact N-O 3.37Å; I746-E754 PolarHBondContact O-N 2.75Å; I746-I756 HydrophobicContact CD1-CD1 3.94Å; I746-I756 HydrophobicContact CD1-CG1 4.05Å; I746-I756 HydrophobicContact CD1-CG2 3.91Å; I746-I756 HydrophobicContact CG1-CD1 4.49Å; I746-I756 HydrophobicContact CG1-CG1 4.43Å
747	K	96.9	Very high	94.9	Very high	82 Å²	82	53.6 Å²	53.6	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	176.1	179.8	-179.8	178.7	-177.1	0	108.8	D726 T727 Q753	D726-K747 WeakPolarHBondContact CA-O 3.46Å; T727-K747 PolarHBondContact N-O 3.27Å; T727-K747 PolarHBondContact O-N 3.03Å; K747-Q753 HydrophobicContact CB-CG 4.18Å; K747-Q753 HydrophobicContact CG-CG 4.11Å
748	H	95.1	Very high	95	Very high	8 Å²	8	52 Å²	52	4%	0.037	32%	0.322	C	S	.	.			trans	-80.4	157.8	-178.7	-62.1	-59.4	0	0	0	111.7	D726 D750 G751 S752 E754	D726-H748 WeakPolarHBondContact OD1-CA 3.33Å; D726-H748 IonicContact OD1-CE1 2.67Å; D726-H748 IonicContact OD1-CG 3.14Å; D726-H748 IonicContact OD1-ND1 3.56Å; D726-H748 PolarHBondContact OD1-ND1 2.93Å; D726-H748 IonicContact OD2-CE1 3.18Å; D726-H748 PolarHBondContact OD2-CE1 3.39Å; D726-H748 VanDerWaalsContact OD2-CE1 3.3Å; D726-H748 IonicContact OD2-ND1 2.86Å; D726-H748 PolarHBondContact OD2-ND1 2.89Å; D726-H748 VanDerWaalsContact OD2-ND1 3.08Å; H748-D750 VanDerWaalsContact CB-OD1 3.26Å; H748-D750 WeakPolarHBondContact CB-OD1 3.32Å; H748-D750 PolarHBondContact O-N 2.88Å; H748-G751 PolarHBondContact O-N 2.92Å; H748-S752 WeakPolarHBondContact CB-OG 3.31Å; H748-S752 PolarHBondContact CD2-OG 2.72Å; H748-S752 PolarHBondContact N-O 2.95Å; H748-E754 IonicContact NE2-OE1 3.52Å
749	C	88.1	Confident	95.1	Very high	89 Å²	89	51.2 Å²	51.2	60%	0.601	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.1	178.9	61.2	0	0	0	0	113.5	D725 G751	D725-C749 WeakPolarHBondContact OD2-CB 3.44Å; D725-C749 PolarHBondContact OD2-SG 3.39Å; C749-G751 PolarHBondContact O-N 2.88Å
750	D	89.6	Confident	95.3	Very high	109 Å²	109	48.7 Å²	48.7	58%	0.583	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.1	174.4	64.5	11.9	0	0	0	113.7	H748 S752	H748-D750 VanDerWaalsContact CB-OD1 3.26Å; H748-D750 WeakPolarHBondContact CB-OD1 3.32Å; H748-D750 PolarHBondContact O-N 2.88Å; D750-S752 VanDerWaalsContact OD1-CB 3.27Å; D750-S752 WeakPolarHBondContact OD1-CB 3.32Å; D750-S752 PolarHBondContact OD1-N 3.39Å; D750-S752 PolarHBondContact OD1-OG 2.68Å
751	G	89.8	Confident	95.3	Very high	52 Å²	52	46.2 Å²	46.2	54%	0.536	28%	0.28	S	S	.	.	S	Bend	trans	89	-5.4	-179.8	0	0	0	0	0	114.7	H748 C749	H748-G751 PolarHBondContact O-N 2.92Å; C749-G751 PolarHBondContact O-N 2.88Å
752	S	94.4	Very high	95.2	Very high	50 Å²	50	43.6 Å²	43.6	35%	0.35	26%	0.262	S	S	.	.			trans	-69.5	154.1	172.3	66.6	0	0	0	0	111.4	H748 D750	H748-S752 WeakPolarHBondContact CB-OG 3.31Å; H748-S752 PolarHBondContact CD2-OG 2.72Å; H748-S752 PolarHBondContact N-O 2.95Å; D750-S752 VanDerWaalsContact OD1-CB 3.27Å; D750-S752 WeakPolarHBondContact OD1-CB 3.32Å; D750-S752 PolarHBondContact OD1-N 3.39Å; D750-S752 PolarHBondContact OD1-OG 2.68Å
753	Q	95.4	Very high	95	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.3	179.9	-66.3	-175.1	5.6	0	0	110.7	I746 K747	I746-Q753 CarbonylContact O-C 3.48Å; I746-Q753 VanDerWaalsContact O-CA 3.24Å; I746-Q753 WeakPolarHBondContact O-CA 3.31Å; K747-Q753 HydrophobicContact CB-CG 4.18Å; K747-Q753 HydrophobicContact CG-CG 4.11Å
754	E	95.6	Very high	94.8	Very high	69 Å²	69	47 Å²	47	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.7	175.9	-62.8	-171.4	-159.3	0	0	109.6	R721 V745 I746 H748	R721-E754 IonicContact CZ-OE2 3.66Å; R721-E754 IonicContact NE-OE2 2.77Å; R721-E754 PolarHBondContact NE-OE2 2.75Å; R721-E754 IonicContact NH2-OE2 3.68Å; R721-E754 PolarHBondContact NH2-OE2 2.89Å; V745-E754 CarbonylContact C-O 3.56Å; V745-E754 WeakPolarHBondContact CA-O 3.33Å; I746-E754 PolarHBondContact N-O 3.37Å; I746-E754 PolarHBondContact O-N 2.75Å; H748-E754 IonicContact NE2-OE1 3.52Å
755	S	96.3	Very high	94.5	Very high	77 Å²	77	50 Å²	50	54%	0.538	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.1	175	-65.9	0	0	0	0	110.1	A744	A744-S755 WeakPolarHBondContact O-CA 3.47Å
756	I	96.9	Very high	94.4	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.5	176.4	62.2	164.9	0	0	0	110.2	F713 D718 I722 A744 I746 L758	F713-I756 HydrophobicContact CD1-CD1 3.87Å; F713-I756 HydrophobicContact CE1-CD1 3.7Å; D718-I756 HydrophobicContact CB-CB 4.36Å; D718-I756 HydrophobicContact CB-CD1 4.21Å; D718-I756 HydrophobicContact CB-CG2 4.04Å; I722-I756 HydrophobicContact CD1-CD1 4.1Å; A744-I756 HydrophobicContact CB-CD1 4.28Å; A744-I756 HydrophobicContact CB-CG1 3.8Å; A744-I756 PolarHBondContact N-O 3.06Å; A744-I756 PolarHBondContact O-N 3.26Å; I746-I756 HydrophobicContact CD1-CD1 3.94Å; I746-I756 HydrophobicContact CD1-CG1 4.05Å; I746-I756 HydrophobicContact CD1-CG2 3.91Å; I746-I756 HydrophobicContact CG1-CD1 4.49Å; I746-I756 HydrophobicContact CG1-CG1 4.43Å; I756-L758 HydrophobicContact CD1-CD2 3.97Å; I756-L758 HydrophobicContact CG1-CD2 4.44Å
757	S	97.4	Very high	94.3	Very high	48 Å²	48	48.8 Å²	48.8	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.8	179.9	-171.9	0	0	0	0	111	S714 P741	S714-S757 VanDerWaalsContact CB-O 3.25Å; S714-S757 WeakPolarHBondContact CB-O 3.28Å; S714-S757 PolarHBondContact N-O 3.22Å; S714-S757 VanDerWaalsContact OG-C 3.3Å; S714-S757 PolarHBondContact OG-O 3.48Å; S714-S757 PolarHBondContact OG-OG 3.2Å; P741-S757 WeakPolarHBondContact CB-OG 3.3Å
758	L	97.5	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	-179.5	-61.6	-174.4	0	0	0	111.1	I690 L711 T712 F713 P741 L742 A744 I756	I690-L758 HydrophobicContact CD1-CD1 3.91Å; I690-L758 HydrophobicContact CG1-CD1 4.17Å; I690-L758 HydrophobicContact CG2-CD1 4.08Å; I690-L758 HydrophobicContact CG2-CD2 3.64Å; L711-L758 HydrophobicContact CB-CB 4.28Å; L711-L758 HydrophobicContact CB-CD1 4.13Å; L711-L758 HydrophobicContact CD1-CB 4.35Å; L711-L758 HydrophobicContact CD1-CD1 3.61Å; L711-L758 HydrophobicContact CG-CD1 4.49Å; T712-L758 CarbonylContact O-C 3.59Å; T712-L758 WeakPolarHBondContact O-CA 3.28Å; F713-L758 HydrophobicContact CD1-CD2 3.85Å; F713-L758 HydrophobicContact CE1-CD2 4.28Å; P741-L758 CarbonylContact C-O 3.58Å; P741-L758 WeakPolarHBondContact CA-O 3.41Å; P741-L758 WeakPolarHBondContact CB-O 3.37Å; L742-L758 PolarHBondContact N-O 2.95Å; L742-L758 PolarHBondContact O-N 3.41Å; A744-L758 HydrophobicContact CB-CD1 3.51Å; A744-L758 HydrophobicContact CB-CG 3.94Å; I756-L758 HydrophobicContact CD1-CD2 3.97Å; I756-L758 HydrophobicContact CG1-CD2 4.44Å
759	S	96.4	Very high	94.2	Very high	40 Å²	40	48.6 Å²	48.6	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	152.8	176.4	-72.1	0	0	0	0	111.5	T712 S714	T712-S759 PolarHBondContact N-O 3.38Å; T712-S759 PolarHBondContact O-N 3.08Å; T712-S759 PolarHBondContact OG1-O 2.98Å; S714-S759 PolarHBondContact OG-N 2.96Å; S714-S759 PolarHBondContact OG-OG 3.47Å
760	H	95.3	Very high	94.6	Very high	19 Å²	19	45 Å²	45	9%	0.088	26%	0.259	C	S	.	.			trans	-147.1	161.3	178.6	70.9	83.3	0	0	0	111	L711 F736 A737 K740 F762	L711-H760 HydrophobicContact CD2-CB 3.87Å; F736-H760 AromaticContact CD2-NE2 3.9Å; F736-H760 AromaticContact CE2-CD2 3.65Å; F736-H760 AromaticContact CE2-CE1 3.38Å; F736-H760 WeakPolarHBondContact CE2-CE1 3.35Å; F736-H760 AromaticContact CE2-CG 3.77Å; F736-H760 AromaticContact CE2-ND1 3.61Å; F736-H760 AromaticContact CE2-NE2 3.41Å; F736-H760 WeakPolarHBondContact CE2-NE2 3.26Å; A737-H760 PolarHBondContact O-CE1 3.48Å; A737-H760 VanDerWaalsContact O-CE1 3.25Å; A737-H760 PolarHBondContact O-NE2 3.02Å; K740-H760 PolarHBondContact O-CD2 3.07Å; K740-H760 PolarHBondContact O-NE2 3.47Å; H760-F762 HydrophobicContact CB-CD2 3.99Å; H760-F762 AromaticContact ND1-CD2 3.88Å; H760-F762 PolarHBondContact ND1-N 3.44Å
761	T	93.4	Very high	94.9	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	25%	0.245	S	C	.	.			trans	-111.9	12.7	-179.5	55.6	0	0	0	0	113.5	Y90 E700 K704 N763	Y90-T761 WeakPolarHBondContact CE2-O 3.35Å; Y90-T761 PolarHBondContact OH-O 3.24Å; E700-T761 WeakPolarHBondContact OE1-CB 3.37Å; E700-T761 WeakPolarHBondContact OE1-CG2 3.44Å; E700-T761 PolarHBondContact OE1-OG1 3.15Å; E700-T761 PolarHBondContact OE2-OG1 3.07Å; K704-T761 PolarHBondContact NZ-O 2.76Å; K704-T761 PolarHBondContact NZ-OG1 2.75Å; T761-N763 PolarHBondContact O-N 3.3Å
762	F	94.4	Very high	95.2	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	22%	0.22	C	C	.	.			trans	-57.5	132.6	176.3	-73.9	-103.9	0	0	0	113	K704 L709 P710 F736 H760 Q766 I767 F770	K704-F762 HydrophobicContact CB-CE1 4.08Å; K704-F762 HydrophobicContact CB-CZ 4.26Å; K704-F762 HydrophobicContact CD-CD1 4.24Å; K704-F762 HydrophobicContact CD-CD2 4.47Å; K704-F762 HydrophobicContact CD-CE1 4.11Å; K704-F762 HydrophobicContact CD-CE2 4.37Å; K704-F762 HydrophobicContact CD-CG 4.43Å; K704-F762 HydrophobicContact CD-CZ 4.2Å; K704-F762 HydrophobicContact CG-CD1 4.44Å; K704-F762 HydrophobicContact CG-CE1 3.81Å; K704-F762 HydrophobicContact CG-CE2 4.12Å; K704-F762 HydrophobicContact CG-CZ 3.65Å; L709-F762 HydrophobicContact CD2-CE2 4.33Å; L709-F762 HydrophobicContact CD2-CZ 4.14Å; P710-F762 HydrophobicContact CG-CE2 3.94Å; P710-F762 HydrophobicContact CG-CZ 4.22Å; F736-F762 HydrophobicContact CE1-CD1 4.39Å; F736-F762 HydrophobicContact CE1-CG 4.35Å; F736-F762 HydrophobicContact CZ-CB 4.08Å; F736-F762 HydrophobicContact CZ-CD1 4.24Å; F736-F762 AromaticContact CZ-CD2 3.7Å; F736-F762 HydrophobicContact CZ-CD2 3.7Å; F736-F762 HydrophobicContact CZ-CE2 4.11Å; F736-F762 AromaticContact CZ-CG 3.76Å; F736-F762 HydrophobicContact CZ-CG 3.76Å; H760-F762 HydrophobicContact CB-CD2 3.99Å; H760-F762 AromaticContact ND1-CD2 3.88Å; H760-F762 PolarHBondContact ND1-N 3.44Å; F762-Q766 HydrophobicContact CB-CB 4.39Å; F762-Q766 HydrophobicContact CD1-CB 3.52Å; F762-Q766 HydrophobicContact CE1-CB 4.2Å; F762-Q766 HydrophobicContact CG-CB 4.29Å; F762-I767 HydrophobicContact CB-CD1 4.47Å; F762-I767 HydrophobicContact CB-CG1 3.87Å; F762-I767 HydrophobicContact CD1-CG1 4.31Å; F762-I767 HydrophobicContact CG-CG1 4.45Å; F762-F770 HydrophobicContact CE1-CB 4.3Å
763	N	92.8	Very high	95.1	Very high	24 Å²	24	38.3 Å²	38.3	13%	0.128	21%	0.205	C	C	.	.			trans	-92.9	176.9	160.3	68.7	11.8	0	0	0	110.4	Y90 E225 T761 T765 Q766 I767	Y90-N763 HydrophobicContact CD2-CB 4.16Å; Y90-N763 HydrophobicContact CE2-CB 4.46Å; E225-N763 VanDerWaalsContact CD-ND2 3.33Å; E225-N763 PolarHBondContact OE1-ND2 3.43Å; E225-N763 PolarHBondContact OE2-ND2 3.23Å; T761-N763 PolarHBondContact O-N 3.3Å; N763-T765 VanDerWaalsContact C-N 3.34Å; N763-T765 PolarHBondContact O-N 3.28Å; N763-T765 WeakPolarHBondContact OD1-CB 3.43Å; N763-T765 PolarHBondContact OD1-N 3.17Å; N763-Q766 PolarHBondContact ND2-NE2 3.31Å; N763-Q766 PolarHBondContact O-N 3.46Å; N763-Q766 VanDerWaalsContact OD1-CB 3.32Å; N763-Q766 WeakPolarHBondContact OD1-CB 3.45Å; N763-Q766 VanDerWaalsContact OD1-CD 3.26Å; N763-Q766 WeakPolarHBondContact OD1-CG 3.49Å; N763-Q766 PolarHBondContact OD1-N 2.64Å; N763-I767 WeakPolarHBondContact O-CG1 3.32Å; N763-I767 PolarHBondContact O-N 2.96Å
764	E	93.1	Very high	95.1	Very high	109 Å²	109	32.7 Å²	32.7	51%	0.509	18%	0.179	S	C	.	.	H	α-helix	trans	-57.6	-43.4	179.4	-68.3	-63.1	163.9	0	0	112.6	P738 Q766 I767 E768	P738-E764 WeakPolarHBondContact CD-OE1 3.31Å; P738-E764 HydrophobicContact CG-CG 3.95Å; P738-E764 WeakPolarHBondContact CG-OE1 3.4Å; E764-Q766 VanDerWaalsContact C-N 3.31Å; E764-Q766 PolarHBondContact O-N 2.86Å; E764-I767 PolarHBondContact O-N 3.49Å; E764-E768 PolarHBondContact O-N 3.1Å; E764-E768 VanDerWaalsContact O-N 3.12Å
765	T	91.9	Very high	94.9	Very high	64 Å²	64	29.7 Å²	29.7	39%	0.393	17%	0.166	S	C	.	.	H	α-helix	trans	-55.2	-46.8	177.4	-48	0	0	0	0	111.7	E225 N763 E768 W769	E225-T765 WeakPolarHBondContact OE1-CB 3.49Å; E225-T765 PolarHBondContact OE1-OG1 3.17Å; N763-T765 VanDerWaalsContact C-N 3.34Å; N763-T765 PolarHBondContact O-N 3.28Å; N763-T765 WeakPolarHBondContact OD1-CB 3.43Å; N763-T765 PolarHBondContact OD1-N 3.17Å; T765-E768 WeakPolarHBondContact O-CB 3.41Å; T765-E768 PolarHBondContact O-N 3.14Å; T765-W769 HydrophobicContact CG2-CZ2 3.8Å; T765-W769 PolarHBondContact O-N 2.99Å
766	Q	94.4	Very high	94.6	Very high	3 Å²	3	27 Å²	27	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-72	-31.4	-177.3	-67.3	160.2	20.6	0	0	111.8	E225 K704 F762 N763 E764 E768 W769 F770	E225-Q766 PolarHBondContact OE2-NE2 3.24Å; E225-Q766 VanDerWaalsContact OE2-NE2 3.08Å; K704-Q766 HydrophobicContact CD-CB 4.33Å; K704-Q766 HydrophobicContact CD-CG 4.23Å; K704-Q766 VanDerWaalsContact CD-OE1 3.24Å; F762-Q766 HydrophobicContact CB-CB 4.39Å; F762-Q766 HydrophobicContact CD1-CB 3.52Å; F762-Q766 HydrophobicContact CE1-CB 4.2Å; F762-Q766 HydrophobicContact CG-CB 4.29Å; N763-Q766 PolarHBondContact ND2-NE2 3.31Å; N763-Q766 PolarHBondContact O-N 3.46Å; N763-Q766 VanDerWaalsContact OD1-CB 3.32Å; N763-Q766 WeakPolarHBondContact OD1-CB 3.45Å; N763-Q766 VanDerWaalsContact OD1-CD 3.26Å; N763-Q766 WeakPolarHBondContact OD1-CG 3.49Å; N763-Q766 PolarHBondContact OD1-N 2.64Å; E764-Q766 VanDerWaalsContact C-N 3.31Å; E764-Q766 PolarHBondContact O-N 2.86Å; Q766-E768 VanDerWaalsContact C-N 3.29Å; Q766-W769 HydrophobicContact CB-CE3 4.15Å; Q766-W769 HydrophobicContact CB-CZ3 4.41Å; Q766-W769 HydrophobicContact CG-CD2 4.43Å; Q766-W769 HydrophobicContact CG-CE3 3.77Å; Q766-W769 HydrophobicContact CG-CH2 4Å; Q766-W769 HydrophobicContact CG-CZ3 3.53Å; Q766-W769 WeakPolarHBondContact O-CB 3.21Å; Q766-W769 PolarHBondContact O-N 3.44Å; Q766-F770 PolarHBondContact O-N 2.8Å; Q766-F770 VanDerWaalsContact O-N 3.11Å
767	I	95.5	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-39	172.9	-68.5	169.5	0	0	0	109.9	F736 P738 F762 N763 E764 W769 F770 K771	F736-I767 HydrophobicContact CD1-CD1 4.49Å; F736-I767 HydrophobicContact CD1-CG1 4.01Å; F736-I767 HydrophobicContact CD1-CG2 4.04Å; F736-I767 HydrophobicContact CD2-CD1 4.43Å; F736-I767 HydrophobicContact CE1-CG1 4Å; F736-I767 HydrophobicContact CG-CD1 4.32Å; F736-I767 HydrophobicContact CG-CG1 4.33Å; F736-I767 HydrophobicContact CZ-CG1 4.32Å; P738-I767 HydrophobicContact CG-CD1 4.14Å; F762-I767 HydrophobicContact CB-CD1 4.47Å; F762-I767 HydrophobicContact CB-CG1 3.87Å; F762-I767 HydrophobicContact CD1-CG1 4.31Å; F762-I767 HydrophobicContact CG-CG1 4.45Å; N763-I767 WeakPolarHBondContact O-CG1 3.32Å; N763-I767 PolarHBondContact O-N 2.96Å; E764-I767 PolarHBondContact O-N 3.49Å; I767-W769 VanDerWaalsContact C-N 3.33Å; I767-W769 PolarHBondContact O-N 2.8Å; I767-F770 WeakPolarHBondContact O-CB 3.44Å; I767-F770 PolarHBondContact O-N 3.03Å; I767-K771 HydrophobicContact CG2-CD 4.27Å; I767-K771 HydrophobicContact CG2-CG 4.46Å; I767-K771 WeakPolarHBondContact O-CG 3.45Å; I767-K771 PolarHBondContact O-N 3.4Å
768	E	95.5	Very high	94.1	Very high	60 Å²	60	28.6 Å²	28.6	28%	0.28	15%	0.145	S	C	.	.	H	α-helix	trans	-65.5	-34.5	174.9	-65.8	-54.9	126.7	0	0	112.5	E764 T765 Q766 K771 A772	E764-E768 PolarHBondContact O-N 3.1Å; E764-E768 VanDerWaalsContact O-N 3.12Å; T765-E768 WeakPolarHBondContact O-CB 3.41Å; T765-E768 PolarHBondContact O-N 3.14Å; Q766-E768 VanDerWaalsContact C-N 3.29Å; E768-K771 PolarHBondContact O-N 3.22Å; E768-K771 WeakPolarHBondContact OE1-CD 3.49Å; E768-K771 IonicContact OE1-NZ 3.7Å; E768-K771 PolarHBondContact OE1-NZ 3.34Å; E768-A772 WeakPolarHBondContact O-CB 3.41Å; E768-A772 PolarHBondContact O-N 3.3Å
769	W	94.9	Very high	93.7	Very high	26 Å²	26	29.1 Å²	29.1	10%	0.098	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-43.9	171.4	-57.4	-15.5	0	0	0	111.8	K704 K705 T765 Q766 I767 A772 G773 S774 A775	K704-W769 HydrophobicContact CB-CE3 4.43Å; K705-W769 HydrophobicContact CD-CD2 4.41Å; K705-W769 HydrophobicContact CD-CE3 3.87Å; K705-W769 HydrophobicContact CD-CH2 4.02Å; K705-W769 HydrophobicContact CD-CZ3 3.65Å; K705-W769 VanDerWaalsContact CE-CH2 3.47Å; K705-W769 HydrophobicContact CG-CE3 4.42Å; K705-W769 HydrophobicContact CG-CZ3 4.14Å; K705-W769 VanDerWaalsContact NZ-CH2 3.28Å; K705-W769 VanDerWaalsContact NZ-CZ2 3.31Å; T765-W769 HydrophobicContact CG2-CZ2 3.8Å; T765-W769 PolarHBondContact O-N 2.99Å; Q766-W769 HydrophobicContact CB-CE3 4.15Å; Q766-W769 HydrophobicContact CB-CZ3 4.41Å; Q766-W769 HydrophobicContact CG-CD2 4.43Å; Q766-W769 HydrophobicContact CG-CE3 3.77Å; Q766-W769 HydrophobicContact CG-CH2 4Å; Q766-W769 HydrophobicContact CG-CZ3 3.53Å; Q766-W769 WeakPolarHBondContact O-CB 3.21Å; Q766-W769 PolarHBondContact O-N 3.44Å; I767-W769 VanDerWaalsContact C-N 3.33Å; I767-W769 PolarHBondContact O-N 2.8Å; W769-A772 PolarHBondContact O-N 3.48Å; W769-G773 PolarHBondContact O-N 3.39Å; W769-G773 VanDerWaalsContact O-N 3.13Å; W769-S774 CarbonylContact O-C 3.59Å; W769-S774 PolarHBondContact O-N 3.09Å; W769-S774 VanDerWaalsContact O-N 3.09Å; W769-A775 HydrophobicContact CB-CB 4.1Å; W769-A775 HydrophobicContact CD2-CB 3.65Å; W769-A775 HydrophobicContact CE3-CB 4.14Å; W769-A775 HydrophobicContact CG-CB 3.61Å
770	F	96.1	Very high	93.1	Very high	12 Å²	12	31.1 Å²	31.1	5%	0.053	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-48.1	174.8	168	-101.8	0	0	0	111.4	W577 L709 L733 F736 F762 Q766 I767 A772 G773	W577-F770 AromaticContact CD1-CZ 3.84Å; W577-F770 AromaticContact CD2-CE1 3.94Å; W577-F770 HydrophobicContact CD2-CE1 3.94Å; W577-F770 HydrophobicContact CD2-CZ 4.44Å; W577-F770 HydrophobicContact CE3-CE1 4.47Å; W577-F770 AromaticContact CG-CE1 3.96Å; W577-F770 HydrophobicContact CG-CE1 3.96Å; W577-F770 HydrophobicContact CG-CZ 4.08Å; L709-F770 HydrophobicContact CD1-CE2 3.95Å; L709-F770 HydrophobicContact CD1-CZ 4.17Å; L709-F770 HydrophobicContact CD2-CD2 3.64Å; L709-F770 HydrophobicContact CD2-CE2 3.63Å; L709-F770 HydrophobicContact CD2-CG 4.15Å; L709-F770 HydrophobicContact CD2-CZ 4.13Å; L709-F770 HydrophobicContact CG-CD2 4.02Å; L709-F770 HydrophobicContact CG-CE2 3.64Å; L709-F770 HydrophobicContact CG-CZ 4.3Å; L733-F770 HydrophobicContact CD1-CZ 4.16Å; L733-F770 HydrophobicContact CD2-CE1 4.37Å; L733-F770 HydrophobicContact CD2-CZ 4.31Å; F736-F770 HydrophobicContact CD1-CD1 4.16Å; F736-F770 HydrophobicContact CD1-CE1 4.47Å; F736-F770 HydrophobicContact CE1-CD1 4.17Å; F736-F770 HydrophobicContact CE1-CG 4.49Å; F762-F770 HydrophobicContact CE1-CB 4.3Å; Q766-F770 PolarHBondContact O-N 2.8Å; Q766-F770 VanDerWaalsContact O-N 3.11Å; I767-F770 WeakPolarHBondContact O-CB 3.44Å; I767-F770 PolarHBondContact O-N 3.03Å; F770-A772 VanDerWaalsContact C-N 3.33Å; F770-A772 PolarHBondContact O-N 3.47Å; F770-G773 PolarHBondContact O-N 3.15Å
771	K	95.8	Very high	92.8	Very high	66 Å²	66	34.3 Å²	34.3	29%	0.287	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-40.4	179	-70.5	174.7	-174.9	162.1	0	112.4	K576 W577 I767 E768 G773	K576-K771 WeakPolarHBondContact CG-O 3.47Å; W577-K771 WeakPolarHBondContact CB-O 3.47Å; W577-K771 HydrophobicContact CE3-CB 4.32Å; W577-K771 HydrophobicContact CE3-CG 3.81Å; W577-K771 HydrophobicContact CZ3-CG 4.05Å; W577-K771 PolarHBondContact N-O 3.08Å; I767-K771 HydrophobicContact CG2-CD 4.27Å; I767-K771 HydrophobicContact CG2-CG 4.46Å; I767-K771 WeakPolarHBondContact O-CG 3.45Å; I767-K771 PolarHBondContact O-N 3.4Å; E768-K771 PolarHBondContact O-N 3.22Å; E768-K771 WeakPolarHBondContact OE1-CD 3.49Å; E768-K771 IonicContact OE1-NZ 3.7Å; E768-K771 PolarHBondContact OE1-NZ 3.34Å; K771-G773 PolarHBondContact O-N 3.03Å
772	A	95.4	Very high	92.2	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-72.3	-12.8	176.7	0	0	0	0	0	113.3	E768 W769 F770 S774 N777 R778	E768-A772 WeakPolarHBondContact O-CB 3.41Å; E768-A772 PolarHBondContact O-N 3.3Å; W769-A772 PolarHBondContact O-N 3.48Å; F770-A772 VanDerWaalsContact C-N 3.33Å; F770-A772 PolarHBondContact O-N 3.47Å; A772-S774 VanDerWaalsContact C-N 3.29Å; A772-N777 HydrophobicContact CB-CB 4.1Å; A772-N777 VanDerWaalsContact O-CB 3.27Å; A772-N777 WeakPolarHBondContact O-CB 3.45Å; A772-N777 PolarHBondContact O-ND2 3.14Å; A772-R778 HydrophobicContact CB-CB 3.81Å
773	G	93.6	Very high	91.1	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-18.3	-177	0	0	0	0	0	114.1	D575 G707 W769 F770 K771	D575-G773 WeakPolarHBondContact O-CA 3.47Å; G707-G773 WeakPolarHBondContact CA-O 3.27Å; W769-G773 PolarHBondContact O-N 3.39Å; W769-G773 VanDerWaalsContact O-N 3.13Å; F770-G773 PolarHBondContact O-N 3.15Å; K771-G773 PolarHBondContact O-N 3.03Å
774	S	94.4	Very high	91	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	22%	0.22	C	C	.	.	S	Bend	trans	-167.1	164.7	167.4	68.8	0	0	0	0	110.2	K705 W769 A772 L776 N777 R778	K705-S774 CarbonylContact O-C 3.44Å; K705-S774 WeakPolarHBondContact O-CA 3.26Å; K705-S774 WeakPolarHBondContact O-CB 3.44Å; W769-S774 CarbonylContact O-C 3.59Å; W769-S774 PolarHBondContact O-N 3.09Å; W769-S774 VanDerWaalsContact O-N 3.09Å; A772-S774 VanDerWaalsContact C-N 3.29Å; S774-L776 VanDerWaalsContact C-N 3.28Å; S774-L776 PolarHBondContact O-N 2.85Å; S774-L776 PolarHBondContact OG-N 2.9Å; S774-N777 PolarHBondContact O-N 2.84Å; S774-N777 WeakPolarHBondContact OG-CB 3.33Å; S774-N777 PolarHBondContact OG-N 3.29Å; S774-N777 PolarHBondContact OG-OD1 3.31Å; S774-R778 PolarHBondContact O-N 2.93Å; S774-R778 VanDerWaalsContact O-N 3.08Å
775	A	92.6	Very high	90.9	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-32.7	171.5	0	0	0	0	0	112.4	K705 W769 R778 M779	K705-A775 HydrophobicContact CB-CB 4.42Å; K705-A775 HydrophobicContact CD-CB 3.32Å; K705-A775 HydrophobicContact CG-CB 4.46Å; K705-A775 PolarHBondContact O-N 3.18Å; W769-A775 HydrophobicContact CB-CB 4.1Å; W769-A775 HydrophobicContact CD2-CB 3.65Å; W769-A775 HydrophobicContact CE3-CB 4.14Å; W769-A775 HydrophobicContact CG-CB 3.61Å; A775-R778 PolarHBondContact O-N 2.93Å; A775-M779 WeakPolarHBondContact O-CB 3.46Å; A775-M779 PolarHBondContact O-N 3.34Å
776	L	90.4	Very high	90.8	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-40.5	175.6	-177.8	63	0	0	0	111.6	Q111 S774 R778 M779 K780	Q111-L776 HydrophobicContact CB-CD2 4.35Å; Q111-L776 HydrophobicContact CG-CD2 4.25Å; S774-L776 VanDerWaalsContact C-N 3.28Å; S774-L776 PolarHBondContact O-N 2.85Å; S774-L776 PolarHBondContact OG-N 2.9Å; L776-R778 VanDerWaalsContact C-N 3.31Å; L776-R778 PolarHBondContact O-N 2.89Å; L776-M779 WeakPolarHBondContact O-CB 3.46Å; L776-M779 PolarHBondContact O-N 3Å; L776-K780 PolarHBondContact O-N 3.11Å
777	N	91.6	Very high	90.6	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-43.9	172.5	-71.4	2.7	0	0	0	110.3	F574 A772 S774 M779 K780 E781	F574-N777 PolarHBondContact O-ND2 3.48Å; A772-N777 HydrophobicContact CB-CB 4.1Å; A772-N777 VanDerWaalsContact O-CB 3.27Å; A772-N777 WeakPolarHBondContact O-CB 3.45Å; A772-N777 PolarHBondContact O-ND2 3.14Å; S774-N777 PolarHBondContact O-N 2.84Å; S774-N777 WeakPolarHBondContact OG-CB 3.33Å; S774-N777 PolarHBondContact OG-N 3.29Å; S774-N777 PolarHBondContact OG-OD1 3.31Å; N777-M779 VanDerWaalsContact C-N 3.32Å; N777-M779 PolarHBondContact O-N 3.23Å; N777-K780 PolarHBondContact O-N 2.87Å; N777-E781 WeakPolarHBondContact O-CG 3.48Å; N777-E781 PolarHBondContact O-N 3.36Å; N777-E781 VanDerWaalsContact O-N 3.07Å
778	R	92.3	Very high	90.3	Very high	67 Å²	67	45.4 Å²	45.4	25%	0.253	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-40.1	177.2	-176.5	57.4	-176.9	154.3	2.4	112.2	A772 S774 A775 L776 E781 L782	A772-R778 HydrophobicContact CB-CB 3.81Å; S774-R778 PolarHBondContact O-N 2.93Å; S774-R778 VanDerWaalsContact O-N 3.08Å; A775-R778 PolarHBondContact O-N 2.93Å; L776-R778 VanDerWaalsContact C-N 3.31Å; L776-R778 PolarHBondContact O-N 2.89Å; R778-E781 IonicContact CZ-OE2 2.7Å; R778-E781 IonicContact NH1-OE2 3.24Å; R778-E781 PolarHBondContact NH1-OE2 2.98Å; R778-E781 PolarHBondContact O-N 3.32Å; R778-L782 HydrophobicContact CG-CD1 4.34Å; R778-L782 WeakPolarHBondContact O-CG 3.46Å; R778-L782 PolarHBondContact O-N 2.91Å
779	M	87.5	Confident	90	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.054	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-45.3	175.2	-173.6	-176.2	-56.5	0	0	111.3	V216 A220 I222 A775 L776 N777 E781 L782 L783	V216-M779 HydrophobicContact CG1-CE 4.08Å; V216-M779 HydrophobicContact CG1-SD 4.46Å; A220-M779 HydrophobicContact CB-CE 4.44Å; A220-M779 HydrophobicContact CB-SD 4.17Å; I222-M779 HydrophobicContact CD1-CE 3.53Å; I222-M779 HydrophobicContact CD1-CG 3.84Å; I222-M779 HydrophobicContact CD1-SD 3.96Å; A775-M779 WeakPolarHBondContact O-CB 3.46Å; A775-M779 PolarHBondContact O-N 3.34Å; L776-M779 WeakPolarHBondContact O-CB 3.46Å; L776-M779 PolarHBondContact O-N 3Å; N777-M779 VanDerWaalsContact C-N 3.32Å; N777-M779 PolarHBondContact O-N 3.23Å; M779-E781 VanDerWaalsContact C-N 3.28Å; M779-E781 PolarHBondContact O-N 3.17Å; M779-L782 PolarHBondContact O-N 2.82Å; M779-L782 VanDerWaalsContact O-N 3.08Å; M779-L783 HydrophobicContact CG-CD1 3.96Å; M779-L783 HydrophobicContact CG-CG 4.45Å; M779-L783 WeakPolarHBondContact O-CG 3.35Å; M779-L783 PolarHBondContact O-N 3.4Å; M779-L783 VanDerWaalsContact O-N 3.09Å
780	K	85.3	Confident	89.6	Confident	83 Å²	83	45.7 Å²	45.7	36%	0.361	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-28.2	175.5	-75.7	-177.5	171.1	-176.7	0	114.4	S114 L776 N777	S114-K780 WeakPolarHBondContact O-CE 3.42Å; S114-K780 PolarHBondContact O-NZ 2.81Å; L776-K780 PolarHBondContact O-N 3.11Å; N777-K780 PolarHBondContact O-N 2.87Å
781	E	87.3	Confident	89.1	Confident	86 Å²	86	48.3 Å²	48.3	40%	0.402	24%	0.235	S	C	.	.	H	α-helix	trans	-74.1	-18.5	174.8	-70.3	178.3	169.4	0	0	112.4	K576 N777 R778 M779	K576-E781 IonicContact NZ-OE1 3.91Å; K576-E781 PolarHBondContact NZ-OE1 2.62Å; N777-E781 WeakPolarHBondContact O-CG 3.48Å; N777-E781 PolarHBondContact O-N 3.36Å; N777-E781 VanDerWaalsContact O-N 3.07Å; R778-E781 IonicContact CZ-OE2 2.7Å; R778-E781 IonicContact NH1-OE2 3.24Å; R778-E781 PolarHBondContact NH1-OE2 2.98Å; R778-E781 PolarHBondContact O-N 3.32Å; M779-E781 VanDerWaalsContact C-N 3.28Å; M779-E781 PolarHBondContact O-N 3.17Å
782	L	82.1	Confident	88.5	Confident	121 Å²	121	46.8 Å²	46.8	63%	0.634	23%	0.23	S	C	*	.	H	α-helix	trans	-102.4	-21.8	-175.8	-68.6	174.6	0	0	0	113.8	R778 M779	R778-L782 HydrophobicContact CG-CD1 4.34Å; R778-L782 WeakPolarHBondContact O-CG 3.46Å; R778-L782 PolarHBondContact O-N 2.91Å; M779-L782 PolarHBondContact O-N 2.82Å; M779-L782 VanDerWaalsContact O-N 3.08Å
783	L	70.1	Confident	87.9	Confident	139 Å²	139	50.8 Å²	50.8	73%	0.728	25%	0.249	S	C	*	.			trans	-87.5	0	171.9	-66.8	174.2	0	0	0	110.1	L117 M779	L117-L783 HydrophobicContact CD2-CD1 4.34Å; L117-L783 HydrophobicContact CD2-CD2 4.25Å; L117-L783 HydrophobicContact CG-CD1 4.27Å; M779-L783 HydrophobicContact CG-CD1 3.96Å; M779-L783 HydrophobicContact CG-CG 4.45Å; M779-L783 WeakPolarHBondContact O-CG 3.35Å; M779-L783 PolarHBondContact O-N 3.4Å; M779-L783 VanDerWaalsContact O-N 3.09Å

Retrieved 783 of 783 residues in 377 ms (Link to these results)

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