A0A087Y878_POEFO Loading...

[heparan sulfate]-glucosamine N-sulfotransferase

AlphaFold DB , UniProt , Accession A0A087Y878, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 903 aa.

						>A0A087Y878_POEFO|A0A087Y878
MATGLGILKLLRGVRQLELHRLILALIVFCLLSMALLAYYVSNSPKIKDSPPLPFSDCGGGGGTLLGMGTGADGGETGGQRSPLFLPVRQGRLQEVKTIDNSRTEPVVLVFVESIYSQLGQEIVAILESSRFHYRTEIAPAKSDMPTLTEHNRGRYALIIYENVLKYVNLDAWNRDLLDKYCAEYGVGVIGFFKATENSLHSAQLKGFPLFLHSHLGLRDYRISPSAPLLYITKPNQVEQGSLPGDDWTIFLSNHSTYEPVLLATPKSSDPLAHFGPGPLQALYSTVVQDLGLHDGIQRVLFGNNLNYWLHKLVFVDAIGYLTGKRLCLSLDRHILVDVDDIFVGKEGTRMKVSDVEALLNTQNKLRALVPNFTFNLGFSGKFYHTGTDEEDQGDDMLLQHRKDFWWFPHMWSHMQPHLFHNVSVLAEQMKLNRIFAQEHGIPTDMGYAVAPHHSGVYPVHTQLYEAWKSVWGIRVTSTEEYPHLRPARYRRGFIHNGIKVLPRQTCGLFTHTIFYNEYPGGSKELDKSIKGGELFLTVLLNPISIFMTHLSNYGNDRLGLYTFESLVKFVQCWTNLRLQTLPPVQLAEKYFQIFPEERNPLWQNPCHDKRHKDIWSKEKTCDRLPKFLIIGPQKTGTTALHSFLSLHPAITGSFPSATTFEEIQFFSGLNYDNGIDWYMEFFPFPSNVSADFMFEKSANYFDSEMAPKRAAALLPRAKVLAVLINPSDRAYSWYQHQRAHQDPAALNNTFHAVVTAAASSNRALLVLQKRCLYPGAYASHLERWLQYYQPSQLHIVDGALLRSNPVLVMEGIQRFLGVTPIFNYTQALMYDDGKGFWCQRVEGARSKCLGKSKGRKYPEMSSESRAFLTEYYRDHNMELVRLLNRLVQPLPSWLHQELQNSR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.3	Low	49	Very low	246 Å²	246	124.5 Å²	124.5	100%	1.212	72%	0.719	S	S	*	*				0	150	0	-73.9	-170.5	-131.1	0	0	108.7
2	A	46.6	Very low	49.3	Very low	99 Å²	99	130.9 Å²	130.9	82%	0.818	72%	0.722	S	S	*	*			trans	98.6	14	167.7	0	0	0	0	0	121.5
3	T	48.6	Very low	49.6	Very low	130 Å²	130	123.5 Å²	123.5	80%	0.798	69%	0.694	S	S	*	*	S	Bend	trans	-126.8	-12.5	169.6	48.7	0	0	0	0	116.1
4	G	44.4	Very low	50.1	Low	57 Å²	57	121.1 Å²	121.1	59%	0.588	68%	0.683	S	S	*	*	S	Bend	trans	-88.3	-18	179.5	0	0	0	0	0	116.3
5	L	45.3	Very low	50.4	Low	140 Å²	140	126.8 Å²	126.8	73%	0.733	69%	0.69	S	S	*	*	H	α-helix	trans	-87.5	-18.7	-173.9	-113.3	87.7	0	0	0	114.5
6	G	47.6	Very low	50.8	Low	50 Å²	50	126.8 Å²	126.8	52%	0.515	68%	0.684	S	S	.	*	H	α-helix	trans	-76.6	-40.3	-178	0	0	0	0	0	113.3	K9 L10	G6-K9 PolarHBondContact O-N 3.2Å; G6-L10 PolarHBondContact O-N 2.89Å; G6-L10 VanDerWaalsContact O-N 3.13Å
7	I	51.8	Low	51.1	Low	116 Å²	116	126 Å²	126	60%	0.595	68%	0.678	S	S	*	*	H	α-helix	trans	-70.8	-36.1	-175.4	-61.5	171.5	0	0	0	111.1	L10 L11	I7-L10 PolarHBondContact O-N 3.29Å; I7-L11 HydrophobicContact CG2-CD1 3.89Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 PolarHBondContact O-N 3Å
8	L	48.3	Very low	52	Low	129 Å²	129	126.2 Å²	126.2	68%	0.675	67%	0.674	S	S	*	*	H	α-helix	trans	-69.6	-32.2	177	-122.4	99	0	0	0	113.1	R12	L8-R12 PolarHBondContact O-N 3.28Å
9	K	51.5	Low	53	Low	158 Å²	158	124.7 Å²	124.7	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-73.2	-38.4	175.1	-83.6	-176.5	175.2	-179.5	0	111.8	G6 R12 G13	G6-K9 PolarHBondContact O-N 3.2Å; K9-R12 PolarHBondContact O-N 3.41Å; K9-G13 PolarHBondContact O-N 2.95Å; K9-G13 VanDerWaalsContact O-N 3.09Å
10	L	53.2	Low	54	Low	133 Å²	133	124.6 Å²	124.6	70%	0.696	66%	0.661	S	S	*	*	H	α-helix	trans	-66.1	-44.5	176.5	-139.1	92.2	0	0	0	111.5	G6 I7 R12 G13 V14	G6-L10 PolarHBondContact O-N 2.89Å; G6-L10 VanDerWaalsContact O-N 3.13Å; I7-L10 PolarHBondContact O-N 3.29Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.02Å; L10-G13 PolarHBondContact O-N 3.44Å; L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.32Å
11	L	51.2	Low	55	Low	112 Å²	112	127.4 Å²	127.4	59%	0.586	66%	0.662	S	S	*	*	H	α-helix	trans	-64.5	-33.8	176.6	-81.3	161.4	0	0	0	113	I7 R15	I7-L11 HydrophobicContact CG2-CD1 3.89Å; I7-L11 WeakPolarHBondContact O-CB 3.22Å; I7-L11 PolarHBondContact O-N 3Å; L11-R15 PolarHBondContact O-N 3.02Å; L11-R15 VanDerWaalsContact O-N 3.12Å
12	R	52.6	Low	56.1	Low	201 Å²	201	121.1 Å²	121.1	76%	0.758	63%	0.633	S	S	*	*	H	α-helix	trans	-66.9	-42.2	172.9	-120	177.8	179.7	176	-0.1	111.7	L8 K9 L10 R15 Q16	L8-R12 PolarHBondContact O-N 3.28Å; K9-R12 PolarHBondContact O-N 3.41Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 3.02Å; R12-R15 PolarHBondContact O-N 2.97Å; R12-Q16 WeakPolarHBondContact O-CB 3.28Å; R12-Q16 PolarHBondContact O-N 3.3Å
13	G	53	Low	57.7	Low	35 Å²	35	120.3 Å²	120.3	36%	0.361	61%	0.614	S	S	.	*	H	α-helix	trans	-63.2	-42.7	177	0	0	0	0	0	113.1	K9 L10 Q16 L17	K9-G13 PolarHBondContact O-N 2.95Å; K9-G13 VanDerWaalsContact O-N 3.09Å; L10-G13 PolarHBondContact O-N 3.44Å; G13-Q16 PolarHBondContact O-N 2.96Å; G13-L17 PolarHBondContact O-N 3.05Å
14	V	56.4	Low	59.2	Low	90 Å²	90	119.5 Å²	119.5	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-42	177.8	176.9	0	0	0	0	111.6	L10 Q16 L17 E18	L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.32Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.25Å; V14-L17 PolarHBondContact O-N 3.03Å; V14-E18 PolarHBondContact O-N 2.9Å
15	R	55.2	Low	60.9	Low	206 Å²	206	119.6 Å²	119.6	78%	0.777	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-35.1	173.9	-99.8	-176.5	169	-178	-2.9	113.3	L11 R12 L19	L11-R15 PolarHBondContact O-N 3.02Å; L11-R15 VanDerWaalsContact O-N 3.12Å; R12-R15 PolarHBondContact O-N 2.97Å; R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 PolarHBondContact O-N 2.97Å
16	Q	56.1	Low	62.6	Low	127 Å²	127	118.4 Å²	118.4	59%	0.593	59%	0.593	S	S	*	*	H	α-helix	trans	-70.7	-34.3	176.8	-130.3	175.1	-10.1	0	0	111.9	R12 G13 V14 H20	R12-Q16 WeakPolarHBondContact O-CB 3.28Å; R12-Q16 PolarHBondContact O-N 3.3Å; G13-Q16 PolarHBondContact O-N 2.96Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.25Å; Q16-H20 WeakPolarHBondContact O-CB 3.35Å; Q16-H20 PolarHBondContact O-N 2.82Å; Q16-H20 PolarHBondContact O-ND1 3.46Å
17	L	57.3	Low	64.3	Low	113 Å²	113	120.2 Å²	120.2	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-67.6	-41.6	174.9	-134.1	88.6	0	0	0	111.8	G13 V14 H20 R21	G13-L17 PolarHBondContact O-N 3.05Å; V14-L17 PolarHBondContact O-N 3.03Å; L17-H20 PolarHBondContact O-N 2.8Å; L17-R21 WeakPolarHBondContact O-CG 3.44Å; L17-R21 PolarHBondContact O-N 2.96Å
18	E	66.9	Low	66	Low	129 Å²	129	118.1 Å²	118.1	60%	0.603	58%	0.582	S	S	*	*	H	α-helix	trans	-66.8	-40.8	174.4	-74.5	-135.5	145.2	0	0	112.4	V14 H20 R21 L22	V14-E18 PolarHBondContact O-N 2.9Å; E18-H20 VanDerWaalsContact C-N 3.34Å; E18-H20 PolarHBondContact O-N 2.9Å; E18-R21 PolarHBondContact O-N 2.87Å; E18-L22 WeakPolarHBondContact O-CB 3.36Å; E18-L22 PolarHBondContact O-N 3.22Å
19	L	70.4	Confident	67.8	Low	99 Å²	99	119 Å²	119	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-40.7	175.6	-169.8	71	0	0	0	111.4	R15 L22 I23	R15-L19 WeakPolarHBondContact O-CB 3.34Å; R15-L19 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-I23 HydrophobicContact CG-CD1 4.05Å; L19-I23 WeakPolarHBondContact O-CB 3.45Å; L19-I23 VanDerWaalsContact O-CG1 3.24Å; L19-I23 WeakPolarHBondContact O-CG1 3.21Å; L19-I23 PolarHBondContact O-N 3.01Å
20	H	72.3	Confident	69.1	Low	121 Å²	121	114.5 Å²	114.5	56%	0.56	57%	0.569	S	S	*	*	H	α-helix	trans	-63.4	-41.4	173.8	-99.9	71.3	0	0	0	112.1	Q16 L17 E18 I23 L24	Q16-H20 WeakPolarHBondContact O-CB 3.35Å; Q16-H20 PolarHBondContact O-N 2.82Å; Q16-H20 PolarHBondContact O-ND1 3.46Å; L17-H20 PolarHBondContact O-N 2.8Å; E18-H20 VanDerWaalsContact C-N 3.34Å; E18-H20 PolarHBondContact O-N 2.9Å; H20-I23 PolarHBondContact O-N 2.86Å; H20-L24 WeakPolarHBondContact O-CB 3.26Å; H20-L24 PolarHBondContact O-N 3.33Å
21	R	75.4	Confident	70.6	Confident	185 Å²	185	113.6 Å²	113.6	70%	0.698	56%	0.564	S	S	*	*	H	α-helix	trans	-64.2	-39.9	175.7	-78.1	-178.1	170.9	-169.2	-2.8	112.3	L17 E18 L24 A25	L17-R21 WeakPolarHBondContact O-CG 3.44Å; L17-R21 PolarHBondContact O-N 2.96Å; E18-R21 PolarHBondContact O-N 2.87Å; R21-L24 PolarHBondContact O-N 3.08Å; R21-A25 VanDerWaalsContact O-CB 3.3Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 2.83Å
22	L	74.4	Confident	72.2	Confident	113 Å²	113	113.2 Å²	113.2	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-64.4	-44.4	174.4	-96.5	150.4	0	0	0	112.1	E18 L19 A25 L26	E18-L22 WeakPolarHBondContact O-CB 3.36Å; E18-L22 PolarHBondContact O-N 3.22Å; L19-L22 PolarHBondContact O-N 3.2Å; L22-A25 PolarHBondContact O-N 2.89Å; L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 PolarHBondContact O-N 2.86Å
23	I	78.6	Confident	73.4	Confident	83 Å²	83	106.6 Å²	106.6	43%	0.426	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.9	-69.3	166.7	0	0	0	110.4	L19 H20 L26 I27	L19-I23 HydrophobicContact CG-CD1 4.05Å; L19-I23 WeakPolarHBondContact O-CB 3.45Å; L19-I23 VanDerWaalsContact O-CG1 3.24Å; L19-I23 WeakPolarHBondContact O-CG1 3.21Å; L19-I23 PolarHBondContact O-N 3.01Å; H20-I23 PolarHBondContact O-N 2.86Å; I23-L26 WeakPolarHBondContact O-CB 3.39Å; I23-L26 PolarHBondContact O-N 2.82Å; I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 HydrophobicContact CG2-CG1 4.46Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.19Å
24	L	80.9	Confident	74.6	Confident	113 Å²	113	110.9 Å²	110.9	59%	0.592	56%	0.559	S	S	*	*	H	α-helix	trans	-64.3	-42.5	177.5	-136.8	100.4	0	0	0	111.5	H20 R21 L26 I27 V28	H20-L24 WeakPolarHBondContact O-CB 3.26Å; H20-L24 PolarHBondContact O-N 3.33Å; R21-L24 PolarHBondContact O-N 3.08Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 3.41Å; L24-I27 PolarHBondContact O-N 2.82Å; L24-V28 WeakPolarHBondContact O-CB 3.22Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.33Å; L24-V28 PolarHBondContact O-N 2.81Å
25	A	80.8	Confident	75.5	Confident	59 Å²	59	109.4 Å²	109.4	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-38.6	175.2	0	0	0	0	0	111.6	R21 L22 V28 F29	R21-A25 VanDerWaalsContact O-CB 3.3Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 2.83Å; L22-A25 PolarHBondContact O-N 2.89Å; A25-V28 PolarHBondContact O-N 3.31Å; A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 2.9Å
26	L	79.7	Confident	76.4	Confident	115 Å²	115	104.5 Å²	104.5	60%	0.602	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-43.1	175.5	-151.3	95.6	0	0	0	111.6	L22 I23 L24 F29 C30	L22-L26 WeakPolarHBondContact O-CB 3.37Å; L22-L26 PolarHBondContact O-N 2.86Å; I23-L26 WeakPolarHBondContact O-CB 3.39Å; I23-L26 PolarHBondContact O-N 2.82Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 3.41Å; L26-F29 PolarHBondContact O-N 3.13Å; L26-C30 WeakPolarHBondContact O-CB 3.44Å; L26-C30 PolarHBondContact O-N 3.16Å; L26-C30 PolarHBondContact O-SG 3.08Å; L26-C30 VanDerWaalsContact O-SG 3.32Å
27	I	84.8	Confident	76.9	Confident	88 Å²	88	103.5 Å²	103.5	45%	0.451	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.2	-69.6	166.7	0	0	0	110.3	I23 L24 F29 C30 L31	I23-I27 HydrophobicContact CG2-CD1 3.84Å; I23-I27 HydrophobicContact CG2-CG1 4.46Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.19Å; L24-I27 PolarHBondContact O-N 2.82Å; I27-F29 VanDerWaalsContact C-N 3.35Å; I27-F29 PolarHBondContact O-N 3.25Å; I27-C30 PolarHBondContact O-N 2.95Å; I27-L31 HydrophobicContact CG2-CD1 3.85Å; I27-L31 HydrophobicContact CG2-CG 4.36Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.29Å; I27-L31 WeakPolarHBondContact O-CG 3.16Å; I27-L31 PolarHBondContact O-N 2.97Å
28	V	86.3	Confident	77.2	Confident	71 Å²	71	100.6 Å²	100.6	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177.2	170.4	0	0	0	0	111	L24 A25 L31 L32	L24-V28 WeakPolarHBondContact O-CB 3.22Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.33Å; L24-V28 PolarHBondContact O-N 2.81Å; A25-V28 PolarHBondContact O-N 3.31Å; V28-L31 PolarHBondContact O-N 2.82Å; V28-L32 HydrophobicContact CG1-CD1 3.79Å; V28-L32 HydrophobicContact CG1-CG 4.46Å; V28-L32 WeakPolarHBondContact O-CB 3.37Å; V28-L32 WeakPolarHBondContact O-CG 3.43Å; V28-L32 PolarHBondContact O-N 2.7Å
29	F	87.6	Confident	77.3	Confident	147 Å²	147	101.4 Å²	101.4	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-62.6	-43.9	174.3	-178.6	-95.4	0	0	0	111.7	A25 L26 I27 L32 S33	A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 2.9Å; L26-F29 PolarHBondContact O-N 3.13Å; I27-F29 VanDerWaalsContact C-N 3.35Å; I27-F29 PolarHBondContact O-N 3.25Å; F29-L32 PolarHBondContact O-N 3.45Å; F29-S33 WeakPolarHBondContact O-CB 3.35Å; F29-S33 PolarHBondContact O-N 3.36Å
30	C	78.7	Confident	76.7	Confident	65 Å²	65	104.1 Å²	104.1	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-44.2	174.7	-76.3	0	0	0	0	111.7	L26 I27 S33 M34	L26-C30 WeakPolarHBondContact O-CB 3.44Å; L26-C30 PolarHBondContact O-N 3.16Å; L26-C30 PolarHBondContact O-SG 3.08Å; L26-C30 VanDerWaalsContact O-SG 3.32Å; I27-C30 PolarHBondContact O-N 2.95Å; C30-S33 PolarHBondContact O-N 2.58Å; C30-M34 VanDerWaalsContact O-CB 3.32Å; C30-M34 WeakPolarHBondContact O-CB 3.31Å; C30-M34 WeakPolarHBondContact O-CG 3.43Å; C30-M34 PolarHBondContact O-N 2.89Å
31	L	85	Confident	75.9	Confident	114 Å²	114	103.2 Å²	103.2	60%	0.597	54%	0.541	S	S	*	.	H	α-helix	trans	-66.8	-41.2	178.4	-71.5	171.2	0	0	0	112	I27 V28 M34 A35	I27-L31 HydrophobicContact CG2-CD1 3.85Å; I27-L31 HydrophobicContact CG2-CG 4.36Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.29Å; I27-L31 WeakPolarHBondContact O-CG 3.16Å; I27-L31 PolarHBondContact O-N 2.97Å; V28-L31 PolarHBondContact O-N 2.82Å; L31-M34 PolarHBondContact O-N 3.09Å; L31-A35 VanDerWaalsContact O-CB 3.31Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.13Å
32	L	83.6	Confident	74.7	Confident	104 Å²	104	98.8 Å²	98.8	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-41.3	173.9	-81.8	164.8	0	0	0	111.7	V28 F29 M34 A35 L36	V28-L32 HydrophobicContact CG1-CD1 3.79Å; V28-L32 HydrophobicContact CG1-CG 4.46Å; V28-L32 WeakPolarHBondContact O-CB 3.37Å; V28-L32 WeakPolarHBondContact O-CG 3.43Å; V28-L32 PolarHBondContact O-N 2.7Å; F29-L32 PolarHBondContact O-N 3.45Å; L32-M34 VanDerWaalsContact C-N 3.35Å; L32-A35 PolarHBondContact O-N 2.95Å; L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 PolarHBondContact O-N 2.97Å
33	S	77.2	Confident	73	Confident	62 Å²	62	98.3 Å²	98.3	43%	0.434	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-40.2	175.3	-173.1	0	0	0	0	111.4	F29 C30 L37	F29-S33 WeakPolarHBondContact O-CB 3.35Å; F29-S33 PolarHBondContact O-N 3.36Å; C30-S33 PolarHBondContact O-N 2.58Å; S33-L37 WeakPolarHBondContact O-CB 3.47Å; S33-L37 PolarHBondContact O-N 3.44Å
34	M	78.1	Confident	70.7	Confident	125 Å²	125	97.2 Å²	97.2	62%	0.616	54%	0.537	S	S	*	.	H	α-helix	trans	-67.1	-38.4	174.8	-74.2	-70.3	-68.6	0	0	111.6	C30 L31 L32 A38	C30-M34 VanDerWaalsContact O-CB 3.32Å; C30-M34 WeakPolarHBondContact O-CB 3.31Å; C30-M34 WeakPolarHBondContact O-CG 3.43Å; C30-M34 PolarHBondContact O-N 2.89Å; L31-M34 PolarHBondContact O-N 3.09Å; L32-M34 VanDerWaalsContact C-N 3.35Å; M34-A38 WeakPolarHBondContact O-CB 3.24Å; M34-A38 PolarHBondContact O-N 2.86Å
35	A	76.8	Confident	68.4	Low	58 Å²	58	97 Å²	97	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-70.2	-39.4	176	0	0	0	0	0	112.3	L31 L32 A38 Y39	L31-A35 VanDerWaalsContact O-CB 3.31Å; L31-A35 WeakPolarHBondContact O-CB 3.25Å; L31-A35 PolarHBondContact O-N 3.13Å; L32-A35 PolarHBondContact O-N 2.95Å; A35-A38 PolarHBondContact O-N 2.81Å; A35-Y39 WeakPolarHBondContact O-CB 3.44Å; A35-Y39 PolarHBondContact O-N 3.3Å
36	L	73.7	Confident	66.4	Low	103 Å²	103	102.7 Å²	102.7	54%	0.539	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-42.6	172.7	-101	152.7	0	0	0	111.5	L32 Y39 Y40	L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 PolarHBondContact O-N 2.97Å; L36-Y39 PolarHBondContact O-N 2.77Å; L36-Y40 HydrophobicContact CD2-CD2 4.41Å; L36-Y40 HydrophobicContact CD2-CE2 4.42Å; L36-Y40 WeakPolarHBondContact O-CB 3.38Å; L36-Y40 PolarHBondContact O-N 2.85Å
37	L	65.4	Low	64.4	Low	107 Å²	107	102.7 Å²	102.7	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-63.9	-46.6	174.8	-172.2	70.8	0	0	0	110.4	S33 Y39 Y40 V41	S33-L37 WeakPolarHBondContact O-CB 3.47Å; S33-L37 PolarHBondContact O-N 3.44Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 2.84Å; L37-Y40 PolarHBondContact O-N 2.84Å; L37-V41 HydrophobicContact CG-CG2 4.39Å; L37-V41 VanDerWaalsContact O-CB 3.29Å; L37-V41 WeakPolarHBondContact O-CB 3.21Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.88Å
38	A	64.8	Low	62.7	Low	52 Å²	52	105.3 Å²	105.3	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-42.8	175.5	0	0	0	0	0	111.6	M34 A35 V41 S42	M34-A38 WeakPolarHBondContact O-CB 3.24Å; M34-A38 PolarHBondContact O-N 2.86Å; A35-A38 PolarHBondContact O-N 2.81Å; A38-V41 PolarHBondContact O-N 2.99Å; A38-S42 WeakPolarHBondContact O-CB 3.31Å; A38-S42 PolarHBondContact O-N 3.31Å; A38-S42 PolarHBondContact O-OG 2.8Å
39	Y	68.1	Low	60.8	Low	146 Å²	146	106.7 Å²	106.7	57%	0.573	57%	0.568	S	S	*	*	H	α-helix	trans	-62.3	-44.5	175.6	179.6	-92.8	0	0	0	112	A35 L36 L37 S42 N43	A35-Y39 WeakPolarHBondContact O-CB 3.44Å; A35-Y39 PolarHBondContact O-N 3.3Å; L36-Y39 PolarHBondContact O-N 2.77Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 2.84Å; Y39-S42 PolarHBondContact O-N 3.33Å; Y39-N43 VanDerWaalsContact CD2-ND2 3.33Å; Y39-N43 WeakPolarHBondContact CD2-ND2 3.22Å; Y39-N43 WeakPolarHBondContact CE2-ND2 3.44Å; Y39-N43 VanDerWaalsContact O-CB 3.31Å; Y39-N43 WeakPolarHBondContact O-CB 3.26Å; Y39-N43 PolarHBondContact O-N 2.85Å
40	Y	57.8	Low	59.2	Low	155 Å²	155	104.2 Å²	104.2	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-68.2	-37	176.5	-101.5	-85.5	0	0	0	112.8	L36 L37 S44	L36-Y40 HydrophobicContact CD2-CD2 4.41Å; L36-Y40 HydrophobicContact CD2-CE2 4.42Å; L36-Y40 WeakPolarHBondContact O-CB 3.38Å; L36-Y40 PolarHBondContact O-N 2.85Å; L37-Y40 PolarHBondContact O-N 2.84Å; Y40-S44 VanDerWaalsContact O-CB 3.27Å; Y40-S44 WeakPolarHBondContact O-CB 3.48Å; Y40-S44 PolarHBondContact O-N 2.94Å; Y40-S44 PolarHBondContact O-OG 2.93Å
41	V	57.1	Low	58.5	Low	102 Å²	102	102.3 Å²	102.3	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-69.1	-35.7	175.5	169.7	0	0	0	0	111	L37 A38	L37-V41 HydrophobicContact CG-CG2 4.39Å; L37-V41 VanDerWaalsContact O-CB 3.29Å; L37-V41 WeakPolarHBondContact O-CB 3.21Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.88Å; A38-V41 PolarHBondContact O-N 2.99Å
42	S	48.5	Very low	58	Low	93 Å²	93	99.7 Å²	99.7	65%	0.65	55%	0.545	S	S	*	.	H	α-helix	trans	-83.8	-31.7	-179.3	-64.8	0	0	0	0	114.2	A38 Y39	A38-S42 WeakPolarHBondContact O-CB 3.31Å; A38-S42 PolarHBondContact O-N 3.31Å; A38-S42 PolarHBondContact O-OG 2.8Å; Y39-S42 PolarHBondContact O-N 3.33Å
43	N	38.6	Very low	57.5	Low	102 Å²	102	102.2 Å²	102.2	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-110.6	2.9	-175	-74.2	-29.8	0	0	0	114.9	Y39 P45	Y39-N43 VanDerWaalsContact CD2-ND2 3.33Å; Y39-N43 WeakPolarHBondContact CD2-ND2 3.22Å; Y39-N43 WeakPolarHBondContact CE2-ND2 3.44Å; Y39-N43 VanDerWaalsContact O-CB 3.31Å; Y39-N43 WeakPolarHBondContact O-CB 3.26Å; Y39-N43 PolarHBondContact O-N 2.85Å; N43-P45 WeakPolarHBondContact O-CD 3.38Å
44	S	31.2	Very low	57.2	Low	61 Å²	61	100.8 Å²	100.8	43%	0.427	55%	0.548	S	S	.	.	S	Bend	trans	-63.9	125.4	165.2	-71.6	0	0	0	0	108.4	Y40 K46	Y40-S44 VanDerWaalsContact O-CB 3.27Å; Y40-S44 WeakPolarHBondContact O-CB 3.48Å; Y40-S44 PolarHBondContact O-N 2.94Å; Y40-S44 PolarHBondContact O-OG 2.93Å; S44-K46 PolarHBondContact O-N 2.87Å
45	P	33.7	Very low	56.9	Low	108 Å²	108	96.4 Å²	96.4	70%	0.701	53%	0.526	S	S	*	.			trans	-58.9	112.3	176.3	15.3	-18.5	0	0	0	107.6	N43 I47	N43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-I47 HydrophobicContact CB-CD1 4.43Å; P45-I47 HydrophobicContact CB-CG1 4.29Å; P45-I47 PolarHBondContact O-N 3.35Å
46	K	37.9	Very low	56.2	Low	179 Å²	179	97 Å²	97	78%	0.778	53%	0.526	S	S	*	.			trans	-69.9	61.5	170.7	-68	-178.2	-179.9	177.4	0	109	S44 K48	S44-K46 PolarHBondContact O-N 2.87Å; K46-K48 PolarHBondContact O-N 3.07Å
47	I	37.1	Very low	55.7	Low	114 Å²	114	97.7 Å²	97.7	59%	0.585	53%	0.53	S	S	*	.			trans	-78	87.4	161.8	-60.9	173.2	0	0	0	104.2	P45 D49	P45-I47 HydrophobicContact CB-CD1 4.43Å; P45-I47 HydrophobicContact CB-CG1 4.29Å; P45-I47 PolarHBondContact O-N 3.35Å; I47-D49 WeakPolarHBondContact CG2-OD1 3.37Å; I47-D49 PolarHBondContact O-N 3.45Å
48	K	48.7	Very low	55.4	Low	143 Å²	143	95.6 Å²	95.6	62%	0.622	52%	0.524	S	S	*	.			trans	-71.5	78.7	167	-77	-175.3	173.2	-171.9	0	107	K46 S50	K46-K48 PolarHBondContact O-N 3.07Å; K48-S50 PolarHBondContact O-N 3.29Å
49	D	47.3	Very low	54.7	Low	100 Å²	100	95.5 Å²	95.5	54%	0.535	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-66.1	120	167.5	-72.7	-33.1	0	0	0	107.4	I47	I47-D49 WeakPolarHBondContact CG2-OD1 3.37Å; I47-D49 PolarHBondContact O-N 3.45Å
50	S	54.8	Low	53.2	Low	96 Å²	96	91.6 Å²	91.6	67%	0.671	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-53.7	148.6	172.3	50.7	0	0	0	0	109.9	K48	K48-S50 PolarHBondContact O-N 3.29Å
51	P	62.6	Low	51.8	Low	24 Å²	24	87.1 Å²	87.1	16%	0.156	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-50.2	148.2	171.7	-17.3	23.4	0	0	0	110.5	Y516 D557 L559	P51-Y516 HydrophobicContact CB-CD1 4.49Å; P51-Y516 HydrophobicContact CB-CD2 4.38Å; P51-Y516 HydrophobicContact CB-CG 4.12Å; P51-D557 HydrophobicContact CG-CB 3.65Å; P51-D557 VanDerWaalsContact CG-O 3.29Å; P51-D557 WeakPolarHBondContact CG-O 3.26Å; P51-L559 HydrophobicContact CG-CD2 4.18Å
52	P	74.2	Confident	50.6	Low	59 Å²	59	86.3 Å²	86.3	38%	0.383	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-56.7	152.9	172.1	26.9	-33.6	0	0	0	109.3	Y516 Y562	P52-Y516 HydrophobicContact CG-CE1 3.97Å; P52-Y562 HydrophobicContact CG-CE2 4.01Å; P52-Y562 WeakPolarHBondContact O-CD2 3.32Å; P52-Y562 VanDerWaalsContact O-CE2 3.23Å; P52-Y562 WeakPolarHBondContact O-CE2 3.28Å
53	L	73.8	Confident	49.5	Very low	158 Å²	158	85.2 Å²	85.2	83%	0.827	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-53.3	144.1	171	-71.2	172.5	0	0	0	109.4	F55	L53-F55 PolarHBondContact O-N 3.05Å
54	P	71.9	Confident	48.9	Very low	31 Å²	31	87.3 Å²	87.3	20%	0.201	57%	0.565	C	S	.	*	S	Bend	trans	-48	145.9	170.1	-25.9	34.1	0	0	0	109.8	S56 Y562 E565	P54-S56 PolarHBondContact O-N 3.03Å; P54-Y562 HydrophobicContact CG-CD2 4.32Å; P54-E565 HydrophobicContact CB-CB 4.04Å; P54-E565 VanDerWaalsContact CB-CD 3.48Å; P54-E565 HydrophobicContact CB-CG 3.77Å; P54-E565 HydrophobicContact CG-CB 4.29Å; P54-E565 HydrophobicContact CG-CG 4.22Å; P54-E565 WeakPolarHBondContact CG-OE2 3.24Å
55	F	70.4	Confident	48.6	Very low	34 Å²	34	92.6 Å²	92.6	15%	0.149	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-51.1	142.3	-172.2	-54.7	-48.9	0	0	0	111.5	L53 I530 K531 Y562 S566 K569	L53-F55 PolarHBondContact O-N 3.05Å; F55-I530 HydrophobicContact CE2-CB 4.42Å; F55-I530 HydrophobicContact CE2-CG2 3.87Å; F55-K531 HydrophobicContact CE2-CD 4.33Å; F55-K531 VanDerWaalsContact CE2-CE 3.48Å; F55-K531 HydrophobicContact CE2-CG 4.01Å; F55-K531 HydrophobicContact CZ-CD 4.21Å; F55-K531 HydrophobicContact CZ-CG 4.32Å; F55-Y562 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y562 WeakPolarHBondContact CZ-OH 3.37Å; F55-S566 VanDerWaalsContact CE2-CB 3.41Å; F55-K569 WeakPolarHBondContact O-CD 3.26Å; F55-K569 PolarHBondContact O-NZ 3.44Å
56	S	62.3	Low	48.3	Very low	71 Å²	71	95.5 Å²	95.5	50%	0.497	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-60.1	156.2	178.2	43.6	0	0	0	0	110.9	P54	P54-S56 PolarHBondContact O-N 3.03Å
57	D	63.1	Low	47.7	Very low	116 Å²	116	90.4 Å²	90.4	62%	0.62	60%	0.595	S	S	*	*	S	Bend	trans	-55.2	154.5	168.1	-61.4	-28.6	0	0	0	109.3	G59	D57-G59 VanDerWaalsContact C-N 3.3Å; D57-G59 CarbonylContact O-C 3.56Å; D57-G59 PolarHBondContact O-N 3.22Å
58	C	59.9	Low	47.2	Very low	63 Å²	63	94.4 Å²	94.4	43%	0.426	61%	0.614	S	S	.	*	S	Bend	trans	-53.9	87.9	-170.3	-42.9	0	0	0	0	112.3	C573	C58-C573 VanDerWaalsContact CA-SG 3.59Å; C58-C573 HydrophobicContact CB-CB 4.08Å; C58-C573 WeakPolarHBondContact CB-SG 3.23Å; C58-C573 WeakPolarHBondContact SG-CA 3.22Å; C58-C573 WeakPolarHBondContact SG-CB 3.24Å; C58-C573 CovalentContact SG-SG 2.04Å; C58-C573 PolarHBondContact SG-SG 2.83Å
59	G	48.8	Very low	46.1	Very low	51 Å²	51	90.7 Å²	90.7	53%	0.526	62%	0.616	S	S	.	*			trans	140	95.3	-171.1	0	0	0	0	0	112.5	D57	D57-G59 VanDerWaalsContact C-N 3.3Å; D57-G59 CarbonylContact O-C 3.56Å; D57-G59 PolarHBondContact O-N 3.22Å
60	G	36.7	Very low	45.1	Very low	63 Å²	63	93.2 Å²	93.2	65%	0.649	64%	0.635	S	S	*	*			trans	160.8	76.6	168.1	0	0	0	0	0	115
61	G	29.5	Very low	43.7	Very low	61 Å²	61	92.5 Å²	92.5	63%	0.629	64%	0.643	S	S	*	*	S	Bend	trans	-134.7	91.9	166.6	0	0	0	0	0	110.8
62	G	31.4	Very low	42	Very low	85 Å²	85	96 Å²	96	88%	0.876	67%	0.674	S	S	*	*			trans	59.6	71	152.5	0	0	0	0	0	119.1
63	G	25.8	Very low	39.7	Very low	70 Å²	70	101.4 Å²	101.4	72%	0.722	70%	0.7	S	S	*	*			trans	-115.7	99.8	159.7	0	0	0	0	0	110.3	L65	G63-L65 PolarHBondContact O-N 3.43Å
64	T	25	Very low	37.4	Very low	146 Å²	146	97.7 Å²	97.7	90%	0.896	70%	0.7	S	S	*	*			trans	-61.6	104.2	169.9	-2.7	0	0	0	0	108.9	L66	T64-L66 PolarHBondContact O-N 3.03Å
65	L	25.7	Very low	35.1	Very low	172 Å²	172	99.9 Å²	99.9	90%	0.901	73%	0.728	S	S	*	*			trans	-76.8	103.4	167.1	-88.6	157.6	0	0	0	108.2	G63 G67	G63-L65 PolarHBondContact O-N 3.43Å; L65-G67 PolarHBondContact O-N 3.35Å
66	L	28.1	Very low	33	Very low	169 Å²	169	107.5 Å²	107.5	89%	0.885	76%	0.764	S	S	*	*			trans	-60.2	128.2	163.7	-81.6	160.6	0	0	0	108.9	T64	T64-L66 PolarHBondContact O-N 3.03Å
67	G	24.9	Very low	31.2	Very low	72 Å²	72	111 Å²	111	74%	0.742	78%	0.783	S	S	*	*			trans	-68	149.5	-177.3	0	0	0	0	0	113.4	L65	L65-G67 PolarHBondContact O-N 3.35Å
68	M	27.1	Very low	29.7	Very low	198 Å²	198	109.8 Å²	109.8	98%	0.975	80%	0.798	S	S	*	*			trans	-146.4	125.8	153.7	-122.8	159.4	133.6	0	0	107.6
69	G	24.6	Very low	28.1	Very low	65 Å²	65	110 Å²	110	67%	0.67	81%	0.811	S	S	*	*			trans	-90.4	171.3	-164.7	0	0	0	0	0	116
70	T	26.4	Very low	27	Very low	153 Å²	153	117 Å²	117	94%	0.939	83%	0.83	S	S	*	*			trans	63.5	119.7	148.9	61.5	0	0	0	0	120
71	G	25	Very low	26.4	Very low	81 Å²	81	125.5 Å²	125.5	84%	0.835	84%	0.842	S	S	*	*			trans	169.4	95.4	157.7	0	0	0	0	0	111
72	A	26.6	Very low	26.2	Very low	98 Å²	98	127.4 Å²	127.4	81%	0.81	85%	0.846	S	S	*	*			trans	-77	134.2	170.4	0	0	0	0	0	110.2
73	D	26.7	Very low	26	Very low	172 Å²	172	128.1 Å²	128.1	92%	0.92	84%	0.835	S	S	*	*			trans	-170.2	149.2	130.7	-115.2	-18.4	0	0	0	111.1
74	G	25.5	Very low	26	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	85%	0.845	S	S	*	*			trans	-83.9	176.7	-167.6	0	0	0	0	0	116.6
75	G	23.3	Very low	26.1	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	84%	0.842	S	S	*	*			trans	147.2	108.3	167.2	0	0	0	0	0	113.5
76	E	25.6	Very low	26.1	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	84%	0.838	S	S	*	*			trans	-58	142.4	169	-65.7	176.9	140.8	0	0	112.2
77	T	26	Very low	26	Very low	145 Å²	145	132.3 Å²	132.3	89%	0.89	83%	0.834	S	S	*	*			trans	-176	130.8	135.3	24.4	0	0	0	0	109.6
78	G	31.9	Very low	26.1	Very low	90 Å²	90	135.2 Å²	135.2	93%	0.928	84%	0.837	S	S	*	*			trans	-68.9	138.9	178.3	0	0	0	0	0	112.9
79	G	24.5	Very low	26.1	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	83%	0.834	S	S	*	*			trans	-162.3	110.2	171.4	0	0	0	0	0	110.5	R81	G79-R81 PolarHBondContact O-N 2.81Å; G79-R81 VanDerWaalsContact O-N 3.16Å
80	Q	26.4	Very low	26.4	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	85%	0.846	S	S	*	*			trans	-52.4	115.2	169	-79.6	173.1	-34.3	0	0	109.8	S82	Q80-S82 PolarHBondContact O-N 3.03Å
81	R	24.3	Very low	26.5	Very low	243 Å²	243	139.4 Å²	139.4	92%	0.917	83%	0.832	S	S	*	*			trans	-87.3	96.9	166.7	-87.9	-176.2	174.5	176.2	-0.3	109.3	G79	G79-R81 PolarHBondContact O-N 2.81Å; G79-R81 VanDerWaalsContact O-N 3.16Å
82	S	24.9	Very low	26.8	Very low	101 Å²	101	147 Å²	147	71%	0.706	84%	0.836	S	S	*	*			trans	-57.6	133.7	159.8	-42.9	0	0	0	0	109.6	Q80 L84	Q80-S82 PolarHBondContact O-N 3.03Å; S82-L84 PolarHBondContact O-N 3.39Å
83	P	27.4	Very low	27.4	Very low	100 Å²	100	150.9 Å²	150.9	65%	0.649	84%	0.842	S	S	*	*			trans	-67.1	129.4	169.7	24.1	-27.2	0	0	0	109.4	F85	P83-F85 HydrophobicContact CG-CE2 4.33Å; P83-F85 WeakPolarHBondContact O-CD2 2.7Å; P83-F85 PolarHBondContact O-N 3.13Å
84	L	25.1	Very low	28.5	Very low	177 Å²	177	148.1 Å²	148.1	93%	0.927	82%	0.823	S	S	*	*			trans	-60.9	94.3	174.6	-83.8	154.2	0	0	0	109.8	S82 L86	S82-L84 PolarHBondContact O-N 3.39Å; L84-L86 PolarHBondContact O-N 3.14Å
85	F	28	Very low	29.5	Very low	190 Å²	190	153.5 Å²	153.5	83%	0.833	83%	0.827	S	S	*	*			trans	-66.9	111.6	162.4	-78.9	-87.3	0	0	0	108.3	P83	P83-F85 HydrophobicContact CG-CE2 4.33Å; P83-F85 WeakPolarHBondContact O-CD2 2.7Å; P83-F85 PolarHBondContact O-N 3.13Å
86	L	26.6	Very low	31.4	Very low	157 Å²	157	152.3 Å²	152.3	82%	0.822	80%	0.804	S	S	*	*			trans	-61	138.9	160.7	-77.4	159.8	0	0	0	108.4	L84 V88	L84-L86 PolarHBondContact O-N 3.14Å; L86-V88 PolarHBondContact O-N 3.05Å
87	P	24.1	Very low	33.4	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	79%	0.793	S	S	*	*			trans	-65.3	130.1	-174.3	25.9	-32.1	0	0	0	110.4	R89	P87-R89 PolarHBondContact O-N 3.31Å; P87-R89 VanDerWaalsContact O-N 3.09Å
88	V	28.1	Very low	35.6	Very low	133 Å²	133	149.5 Å²	149.5	81%	0.806	79%	0.787	S	S	*	*			trans	-54	113.4	167.7	175.6	0	0	0	0	107.7	L86 Q90	L86-V88 PolarHBondContact O-N 3.05Å; V88-Q90 PolarHBondContact O-N 3.33Å
89	R	27.1	Very low	37.8	Very low	244 Å²	244	147 Å²	147	92%	0.921	75%	0.752	S	S	*	*			trans	-59.6	106.6	163.5	-106.4	-179.2	173.2	-176.9	-1.5	106.7	P87 G91	P87-R89 PolarHBondContact O-N 3.31Å; P87-R89 VanDerWaalsContact O-N 3.09Å; R89-G91 PolarHBondContact O-N 2.93Å
90	Q	30.2	Very low	40.4	Very low	197 Å²	197	148.3 Å²	148.3	92%	0.921	74%	0.742	S	S	*	*			trans	-62.3	83	161.3	-83.7	176	-25.7	0	0	108.3	V88	V88-Q90 PolarHBondContact O-N 3.33Å
91	G	29.5	Very low	43.1	Very low	63 Å²	63	139.2 Å²	139.2	65%	0.649	70%	0.7	S	S	*	*			trans	-84.7	131.5	161.2	0	0	0	0	0	108.4	R89 L93	R89-G91 PolarHBondContact O-N 2.93Å; G91-L93 PolarHBondContact O-N 2.73Å
92	R	31.9	Very low	46.1	Very low	241 Å²	241	131.1 Å²	131.1	91%	0.909	68%	0.681	S	S	*	*			trans	-31	121.6	178.2	-75.4	172	168.4	177	-5.2	113.2	Q94	R92-Q94 VanDerWaalsContact C-N 3.29Å; R92-Q94 PolarHBondContact O-N 2.87Å
93	L	37.9	Very low	49.3	Very low	178 Å²	178	131.3 Å²	131.3	93%	0.932	67%	0.666	S	S	*	*			trans	-59.2	93.9	157.9	-81.5	149	0	0	0	107.5	G91 E95	G91-L93 PolarHBondContact O-N 2.73Å; L93-E95 PolarHBondContact O-N 2.93Å
94	Q	49.5	Very low	52.5	Low	114 Å²	114	126.7 Å²	126.7	53%	0.533	64%	0.636	S	S	.	*			trans	-66.7	125.6	159.2	-84.1	176.9	-31	0	0	106.2	R92 V96	R92-Q94 VanDerWaalsContact C-N 3.29Å; R92-Q94 PolarHBondContact O-N 2.87Å; Q94-V96 VanDerWaalsContact C-N 3.34Å; Q94-V96 PolarHBondContact O-N 2.68Å
95	E	47.5	Very low	55.8	Low	194 Å²	194	121.9 Å²	121.9	91%	0.907	61%	0.609	S	S	*	*			trans	-63	94	176.3	-85.2	-177.7	151.8	0	0	109.4	L93 K97	L93-E95 PolarHBondContact O-N 2.93Å; E95-K97 PolarHBondContact O-N 2.86Å
96	V	63.6	Low	59	Low	53 Å²	53	114.9 Å²	114.9	32%	0.321	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-70.6	119.2	167.1	179.9	0	0	0	0	107	Q94 T98 L291	Q94-V96 VanDerWaalsContact C-N 3.34Å; Q94-V96 PolarHBondContact O-N 2.68Å; V96-T98 PolarHBondContact O-N 3.01Å; V96-L291 HydrophobicContact CG2-CD1 4.11Å
97	K	66.9	Low	62.4	Low	155 Å²	155	109 Å²	109	67%	0.674	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57	125.5	176.8	-168.9	178.7	178.5	-173.3	0	109.1	E95 Q298	E95-K97 PolarHBondContact O-N 2.86Å; K97-Q298 PolarHBondContact O-NE2 2.98Å
98	T	72.3	Confident	65.9	Low	123 Å²	123	103.2 Å²	103.2	76%	0.755	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-64.2	137.4	173.9	45.5	0	0	0	0	109.6	V96 D100	V96-T98 PolarHBondContact O-N 3.01Å; T98-D100 PolarHBondContact O-N 3.01Å; T98-D100 VanDerWaalsContact O-N 3.1Å
99	I	77.9	Confident	69.2	Low	37 Å²	37	96.9 Å²	96.9	19%	0.19	48%	0.477	C	S	.	.			trans	-67.1	111.6	175.3	-68.1	164.7	0	0	0	108.3	N101 G186 Q298 Y321 L322	I99-N101 HydrophobicContact CG2-CB 4.32Å; I99-G186 WeakPolarHBondContact CG2-O 3.46Å; I99-Q298 VanDerWaalsContact CG1-OE1 3.27Å; I99-Y321 HydrophobicContact CD1-CE1 4.39Å; I99-Y321 VanDerWaalsContact CD1-O 3.25Å; I99-Y321 WeakPolarHBondContact CD1-O 3.42Å; I99-L322 HydrophobicContact CD1-CD2 4.35Å
100	D	79.5	Confident	72.6	Confident	97 Å²	97	85.3 Å²	85.3	52%	0.519	43%	0.433	S	S	.	.			trans	-110.2	98.2	166.5	-179.4	11.8	0	0	0	109.3	T98 S102	T98-D100 PolarHBondContact O-N 3.01Å; T98-D100 VanDerWaalsContact O-N 3.1Å; D100-S102 WeakPolarHBondContact OD1-CB 3.31Å; D100-S102 PolarHBondContact OD1-N 3.13Å; D100-S102 PolarHBondContact OD1-OG 2.63Å
101	N	83	Confident	75.7	Confident	6 Å²	6	76 Å²	76	3%	0.032	39%	0.39	C	S	.	.			trans	-108.3	19.7	173.5	65.4	7.8	0	0	0	111.5	I99 R103 T104 Y185 T323 R326	I99-N101 HydrophobicContact CG2-CB 4.32Å; N101-R103 PolarHBondContact O-N 2.99Å; N101-T104 HydrophobicContact CB-CG2 4.44Å; N101-T104 PolarHBondContact O-N 2.93Å; N101-T104 PolarHBondContact O-OG1 3.09Å; N101-Y185 WeakPolarHBondContact CA-O 3.3Å; N101-T323 VanDerWaalsContact ND2-C 3.25Å; N101-T323 VanDerWaalsContact ND2-CA 3.29Å; N101-T323 WeakPolarHBondContact ND2-CA 3.24Å; N101-T323 PolarHBondContact ND2-O 2.95Å; N101-R326 PolarHBondContact O-NH1 3.14Å; N101-R326 WeakPolarHBondContact OD1-CD 3.29Å; N101-R326 PolarHBondContact OD1-NH1 2.82Å
102	S	87.2	Confident	78.9	Confident	72 Å²	72	73.4 Å²	73.4	50%	0.503	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.8	-177.2	60.8	0	0	0	0	113.8	D100 T104	D100-S102 WeakPolarHBondContact OD1-CB 3.31Å; D100-S102 PolarHBondContact OD1-N 3.13Å; D100-S102 PolarHBondContact OD1-OG 2.63Å; S102-T104 VanDerWaalsContact C-N 3.26Å; S102-T104 PolarHBondContact O-N 3.28Å
103	R	91.7	Very high	81.7	Confident	106 Å²	106	66.3 Å²	66.3	40%	0.4	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.2	176.2	-66.5	175.7	61.4	-153.1	-4.1	114.2	N101 G154 E184 Y185	N101-R103 PolarHBondContact O-N 2.99Å; R103-G154 PolarHBondContact O-N 3.35Å; R103-E184 IonicContact CZ-OE1 3.8Å; R103-E184 IonicContact NH1-OE1 2.93Å; R103-E184 PolarHBondContact NH1-OE1 3.19Å; R103-E184 IonicContact NH2-OE1 3.62Å; R103-E184 PolarHBondContact NH2-OE1 3.16Å; R103-Y185 HydrophobicContact CB-CD1 3.83Å; R103-Y185 HydrophobicContact CB-CE1 4.13Å
104	T	94.6	Very high	84.2	Confident	3 Å²	3	60 Å²	60	2%	0.018	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-114	154.1	179.6	70.5	0	0	0	0	113.6	N101 S102 G154 A157 Y185 V187 R326	N101-T104 HydrophobicContact CB-CG2 4.44Å; N101-T104 PolarHBondContact O-N 2.93Å; N101-T104 PolarHBondContact O-OG1 3.09Å; S102-T104 VanDerWaalsContact C-N 3.26Å; S102-T104 PolarHBondContact O-N 3.28Å; T104-G154 CarbonylContact C-O 3.6Å; T104-G154 WeakPolarHBondContact CA-O 3.4Å; T104-A157 WeakPolarHBondContact OG1-CA 3.22Å; T104-A157 WeakPolarHBondContact OG1-CB 3.33Å; T104-Y185 HydrophobicContact CG2-CD1 4.15Å; T104-Y185 HydrophobicContact CG2-CG 4.34Å; T104-V187 HydrophobicContact CG2-CG2 3.91Å; T104-R326 VanDerWaalsContact O-CZ 3.31Å; T104-R326 PolarHBondContact O-NH1 2.76Å; T104-R326 PolarHBondContact O-NH2 2.89Å; T104-R326 PolarHBondContact OG1-NH1 3.44Å
105	E	94.7	Very high	86.1	Confident	75 Å²	75	59.6 Å²	59.6	35%	0.35	31%	0.31	S	S	.	.			trans	-73.2	142.4	165.5	-61.2	-58.7	146.8	0	0	110.4	V107 R153 G154 A157	E105-V107 HydrophobicContact CB-CG2 4.1Å; E105-V107 PolarHBondContact O-N 2.73Å; E105-R153 IonicContact OE1-CZ 3.44Å; E105-R153 IonicContact OE1-NH1 3.52Å; E105-R153 PolarHBondContact OE1-NH1 3.5Å; E105-G154 PolarHBondContact N-O 2.83Å; E105-A157 WeakPolarHBondContact O-CB 3.31Å; E105-A157 PolarHBondContact O-N 2.88Å
106	P	95.8	Very high	88.2	Confident	44 Å²	44	59 Å²	59	29%	0.286	30%	0.3	S	S	.	.	S	Bend	trans	-76.5	62	-177.8	34.4	-35.8	0	0	0	111.2	L327	P106-L327 HydrophobicContact CB-CD2 3.99Å
107	V	97.1	Very high	89.6	Confident	33 Å²	33	57.6 Å²	57.6	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.2	-178	-175	0	0	0	0	109	E105 H133 Y156 A157	E105-V107 HydrophobicContact CB-CG2 4.1Å; E105-V107 PolarHBondContact O-N 2.73Å; V107-H133 WeakPolarHBondContact CA-O 3.18Å; V107-H133 HydrophobicContact CG1-CB 4.42Å; V107-H133 HydrophobicContact CG2-CB 4.08Å; V107-Y156 HydrophobicContact CB-CD1 4.13Å; V107-Y156 HydrophobicContact CG1-CD1 3.88Å; V107-Y156 HydrophobicContact CG1-CE1 4Å; V107-Y156 CarbonylContact O-C 3.45Å; V107-Y156 VanDerWaalsContact O-CA 3.25Å; V107-Y156 WeakPolarHBondContact O-CA 3.35Å; V107-A157 PolarHBondContact O-N 3.31Å
108	V	98.4	Very high	91	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.7	176.1	-173.6	0	0	0	0	110.3	V110 L127 H133 Y134 R135 L158 I160 L327	V108-V110 HydrophobicContact CG1-CG2 3.85Å; V108-L127 HydrophobicContact CB-CD1 4.19Å; V108-L127 HydrophobicContact CG1-CD1 4.09Å; V108-L127 HydrophobicContact CG2-CD1 4.5Å; V108-L127 HydrophobicContact CG2-CD2 4.06Å; V108-H133 PolarHBondContact N-O 3.33Å; V108-Y134 CarbonylContact O-C 3.57Å; V108-Y134 WeakPolarHBondContact O-CA 3.4Å; V108-R135 PolarHBondContact O-N 2.88Å; V108-L158 HydrophobicContact CG1-CB 4.29Å; V108-L158 HydrophobicContact CG1-CD2 4.17Å; V108-L158 HydrophobicContact CG1-CG 4.34Å; V108-L158 HydrophobicContact CG2-CB 4.32Å; V108-L158 HydrophobicContact CG2-CD2 4.32Å; V108-I160 HydrophobicContact CG1-CD1 3.56Å; V108-I160 HydrophobicContact CG1-CG1 3.71Å; V108-L327 HydrophobicContact CG2-CD1 3.4Å
109	L	97.8	Very high	92.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.3	168.2	-178.1	59.9	0	0	0	109.5	F111 R135 E137 P146 L148 Y156 L158 I159 I160	L109-F111 HydrophobicContact CD2-CE2 3.55Å; L109-F111 HydrophobicContact CD2-CZ 3.62Å; L109-F111 HydrophobicContact CG-CD2 4.37Å; L109-F111 HydrophobicContact CG-CE2 3.86Å; L109-F111 HydrophobicContact CG-CZ 4.09Å; L109-R135 HydrophobicContact CD1-CB 4.41Å; L109-E137 HydrophobicContact CD1-CB 4.44Å; L109-E137 HydrophobicContact CD1-CG 3.89Å; L109-P146 HydrophobicContact CD1-CG 4.25Å; L109-P146 HydrophobicContact CD2-CG 3.93Å; L109-L148 HydrophobicContact CD2-CD2 4.08Å; L109-Y156 HydrophobicContact CB-CD1 3.72Å; L109-Y156 HydrophobicContact CB-CD2 4.12Å; L109-Y156 HydrophobicContact CB-CE1 4.17Å; L109-Y156 HydrophobicContact CB-CG 3.71Å; L109-Y156 HydrophobicContact CD1-CE1 4.25Å; L109-Y156 HydrophobicContact CD1-CE2 4.43Å; L109-Y156 HydrophobicContact CD2-CD2 3.98Å; L109-Y156 HydrophobicContact CD2-CE2 4.08Å; L109-Y156 HydrophobicContact CD2-CG 4.42Å; L109-L158 PolarHBondContact N-O 2.88Å; L109-I159 HydrophobicContact CB-CG1 4.26Å; L109-I159 HydrophobicContact CD2-CG1 4.47Å; L109-I159 CarbonylContact O-C 3.54Å; L109-I159 WeakPolarHBondContact O-CA 3.36Å; L109-I160 PolarHBondContact O-N 3.43Å
110	V	97.6	Very high	93	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.6	-177.9	-172.1	0	0	0	0	109.7	V108 V112 I123 L127 R135 T136 E137 I160	V108-V110 HydrophobicContact CG1-CG2 3.85Å; V110-V112 HydrophobicContact CG1-CG1 3.98Å; V110-I123 HydrophobicContact CG1-CG2 3.89Å; V110-I123 HydrophobicContact CG2-CG2 4.22Å; V110-L127 HydrophobicContact CG2-CD1 3.77Å; V110-R135 PolarHBondContact N-O 2.79Å; V110-T136 HydrophobicContact CB-CG2 4.21Å; V110-T136 CarbonylContact O-C 3.53Å; V110-T136 WeakPolarHBondContact O-CA 3.45Å; V110-E137 PolarHBondContact O-N 3.39Å; V110-I160 WeakPolarHBondContact CA-O 3.22Å; V110-I160 HydrophobicContact CG1-CB 4.48Å; V110-I160 HydrophobicContact CG2-CB 4.47Å
111	F	96.2	Very high	93.8	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.3	172.1	-72.2	-71.6	0	0	0	110.6	L109 E137 A139 M145 P146 I159 I160 Y161 E162	L109-F111 HydrophobicContact CD2-CE2 3.55Å; L109-F111 HydrophobicContact CD2-CZ 3.62Å; L109-F111 HydrophobicContact CG-CD2 4.37Å; L109-F111 HydrophobicContact CG-CE2 3.86Å; L109-F111 HydrophobicContact CG-CZ 4.09Å; F111-E137 WeakPolarHBondContact CA-O 3.01Å; F111-E137 HydrophobicContact CD1-CB 3.97Å; F111-E137 HydrophobicContact CE1-CB 3.91Å; F111-A139 HydrophobicContact CB-CB 4.32Å; F111-M145 HydrophobicContact CE1-SD 4.32Å; F111-M145 HydrophobicContact CE2-CE 4.32Å; F111-M145 HydrophobicContact CZ-CE 3.77Å; F111-M145 HydrophobicContact CZ-SD 3.83Å; F111-P146 HydrophobicContact CZ-CG 4.26Å; F111-I159 HydrophobicContact CD2-CG2 3.92Å; F111-I159 HydrophobicContact CE2-CG2 3.94Å; F111-I160 PolarHBondContact N-O 3.12Å; F111-Y161 HydrophobicContact CB-CD1 3.61Å; F111-Y161 HydrophobicContact CB-CE1 3.69Å; F111-Y161 HydrophobicContact CB-CG 4.25Å; F111-Y161 HydrophobicContact CD2-CD1 4.07Å; F111-Y161 HydrophobicContact CD2-CD2 4.29Å; F111-Y161 AromaticContact CD2-CE1 3.49Å; F111-Y161 HydrophobicContact CD2-CE1 3.49Å; F111-Y161 VanDerWaalsContact CD2-CE1 3.49Å; F111-Y161 AromaticContact CD2-CE2 3.76Å; F111-Y161 HydrophobicContact CD2-CE2 3.76Å; F111-Y161 HydrophobicContact CD2-CG 4.43Å; F111-Y161 AromaticContact CD2-CZ 3.3Å; F111-Y161 WeakPolarHBondContact CD2-OH 2.98Å; F111-Y161 HydrophobicContact CE2-CE1 4.22Å; F111-Y161 HydrophobicContact CE2-CE2 4.2Å; F111-Y161 AromaticContact CE2-CZ 3.69Å; F111-Y161 WeakPolarHBondContact CE2-OH 3.33Å; F111-Y161 HydrophobicContact CG-CD1 4.09Å; F111-Y161 AromaticContact CG-CE1 3.65Å; F111-Y161 HydrophobicContact CG-CE1 3.65Å; F111-Y161 AromaticContact CG-CZ 3.97Å; F111-E162 PolarHBondContact O-N 3.35Å
112	V	95.1	Very high	94.4	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.1	178.5	-59.1	0	0	0	0	110.9	V110 S114 E137 I138 A139 E162	V110-V112 HydrophobicContact CG1-CG1 3.98Å; V112-S114 WeakPolarHBondContact CG2-O 3.35Å; V112-E137 PolarHBondContact N-O 2.84Å; V112-I138 CarbonylContact O-C 3.25Å; V112-I138 VanDerWaalsContact O-CA 3.3Å; V112-I138 WeakPolarHBondContact O-CA 3.19Å; V112-A139 PolarHBondContact O-N 2.9Å; V112-E162 VanDerWaalsContact CA-CD 3.42Å; V112-E162 WeakPolarHBondContact CA-OE2 3.48Å; V112-E162 VanDerWaalsContact CB-OE2 3.3Å; V112-E162 WeakPolarHBondContact CB-OE2 3.26Å; V112-E162 WeakPolarHBondContact CG1-OE2 3.44Å
113	E	91.1	Very high	94.9	Very high	91 Å²	91	46.9 Å²	46.9	43%	0.425	23%	0.226	S	C	.	.	S	Bend	trans	-75.2	-32.2	173.9	-63.3	-165.9	137.2	0	0	111.3	E162 N163 K166	E113-E162 WeakPolarHBondContact CA-OE1 3.3Å; E113-E162 WeakPolarHBondContact CB-OE1 3.46Å; E113-E162 HydrophobicContact CG-CG 4.11Å; E113-E162 VanDerWaalsContact CG-OE1 3.31Å; E113-E162 WeakPolarHBondContact CG-OE1 3.47Å; E113-E162 PolarHBondContact N-OE1 2.99Å; E113-N163 HydrophobicContact CG-CB 4.27Å; E113-N163 PolarHBondContact OE1-ND2 2.96Å; E113-K166 VanDerWaalsContact OE1-CE 3.25Å; E113-K166 WeakPolarHBondContact OE1-CE 3.39Å
114	S	91.4	Very high	95.2	Very high	47 Å²	47	42.7 Å²	42.7	33%	0.329	21%	0.212	S	C	.	.			trans	-152.6	159.5	170.1	76.6	0	0	0	0	110.8	V112 Y116 S117	V112-S114 WeakPolarHBondContact CG2-O 3.35Å; S114-Y116 PolarHBondContact O-N 2.85Å; S114-Y116 PolarHBondContact OG-N 2.84Å; S114-S117 WeakPolarHBondContact O-CB 3.45Å; S114-S117 PolarHBondContact O-N 3.26Å; S114-S117 VanDerWaalsContact O-N 3.09Å; S114-S117 PolarHBondContact OG-N 3.26Å
115	I	87.9	Confident	95.2	Very high	105 Å²	105	43.5 Å²	43.5	54%	0.538	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.6	174.2	62.7	174.6	0	0	0	113.5	I138	I115-I138 HydrophobicContact CG2-CD1 4.32Å; I115-I138 HydrophobicContact CG2-CG1 4.43Å
116	Y	91.6	Very high	95.4	Very high	180 Å²	180	40.4 Å²	40.4	71%	0.706	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	4.5	179.7	-54.4	-65.8	0	0	0	113	S114 Q118	S114-Y116 PolarHBondContact O-N 2.85Å; S114-Y116 PolarHBondContact OG-N 2.84Å; Y116-Q118 PolarHBondContact O-N 3.26Å
117	S	94.1	Very high	95.5	Very high	24 Å²	24	38.3 Å²	38.3	17%	0.168	19%	0.191	C	C	.	.			trans	-61	127	178.9	-178	0	0	0	0	111	S114 L119 G120 Q121 E162	S114-S117 WeakPolarHBondContact O-CB 3.45Å; S114-S117 PolarHBondContact O-N 3.26Å; S114-S117 VanDerWaalsContact O-N 3.09Å; S114-S117 PolarHBondContact OG-N 3.26Å; S117-L119 VanDerWaalsContact C-N 3.35Å; S117-L119 PolarHBondContact O-N 3.17Å; S117-G120 PolarHBondContact O-N 3.24Å; S117-Q121 WeakPolarHBondContact O-CG 3.41Å; S117-Q121 PolarHBondContact O-N 3.06Å; S117-E162 WeakPolarHBondContact CB-OE1 3.39Å; S117-E162 VanDerWaalsContact CB-OE2 3.29Å; S117-E162 WeakPolarHBondContact CB-OE2 3.33Å; S117-E162 PolarHBondContact OG-OE1 3.02Å; S117-E162 PolarHBondContact OG-OE2 3.48Å
118	Q	95.2	Very high	95.4	Very high	116 Å²	116	37.7 Å²	37.7	54%	0.542	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-45.9	-179.2	-177.1	-177	-8.9	0	0	111.2	Y116 Q121 E122	Y116-Q118 PolarHBondContact O-N 3.26Å; Q118-Q121 PolarHBondContact O-N 2.97Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.81Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 2.89Å
119	L	96.2	Very high	95.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-43.9	178.9	176.4	60.4	0	0	0	111.2	S117 Q121 E122 I123 E162 F192 N305 L306	S117-L119 VanDerWaalsContact C-N 3.35Å; S117-L119 PolarHBondContact O-N 3.17Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 2.87Å; L119-E122 PolarHBondContact O-N 3.08Å; L119-E122 VanDerWaalsContact O-N 3.16Å; L119-I123 HydrophobicContact CD1-CD1 4.07Å; L119-I123 HydrophobicContact CD1-CG1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.86Å; L119-I123 HydrophobicContact CG-CG1 4.43Å; L119-I123 WeakPolarHBondContact O-CG1 3.29Å; L119-I123 PolarHBondContact O-N 2.92Å; L119-E162 HydrophobicContact CD2-CB 3.95Å; L119-E162 VanDerWaalsContact CD2-O 3.32Å; L119-E162 WeakPolarHBondContact CD2-O 3.41Å; L119-E162 HydrophobicContact CG-CB 4.18Å; L119-F192 HydrophobicContact CD1-CD1 4.33Å; L119-F192 HydrophobicContact CD1-CE1 4.36Å; L119-F192 HydrophobicContact CD2-CB 3.7Å; L119-F192 HydrophobicContact CD2-CD1 4.12Å; L119-F192 HydrophobicContact CD2-CD2 4.15Å; L119-F192 HydrophobicContact CD2-CG 3.74Å; L119-N305 HydrophobicContact CD1-CB 4.13Å; L119-L306 HydrophobicContact CD1-CB 4.18Å; L119-L306 HydrophobicContact CD1-CD1 4.05Å; L119-L306 HydrophobicContact CD1-CG 3.8Å
120	G	96.6	Very high	95.1	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-43.5	174.4	0	0	0	0	0	112.4	S117 I123 V124 E162	S117-G120 PolarHBondContact O-N 3.24Å; G120-I123 PolarHBondContact O-N 3.49Å; G120-V124 WeakPolarHBondContact O-CB 3.27Å; G120-V124 VanDerWaalsContact O-CG2 3.29Å; G120-V124 WeakPolarHBondContact O-CG2 3.31Å; G120-V124 PolarHBondContact O-N 3.1Å; G120-E162 WeakPolarHBondContact CA-OE2 3.31Å; G120-E162 PolarHBondContact N-OE2 3.48Å; G120-E162 VanDerWaalsContact N-OE2 3.15Å
121	Q	95.9	Very high	95	Very high	102 Å²	102	40.9 Å²	40.9	48%	0.477	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-37.3	175.7	-71.4	179.9	2.6	0	0	112.9	S117 Q118 L119 A125	S117-Q121 WeakPolarHBondContact O-CG 3.41Å; S117-Q121 PolarHBondContact O-N 3.06Å; Q118-Q121 PolarHBondContact O-N 2.97Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 2.87Å; Q121-A125 VanDerWaalsContact O-CB 3.26Å; Q121-A125 WeakPolarHBondContact O-CB 3.16Å; Q121-A125 PolarHBondContact O-N 3.31Å
122	E	96.1	Very high	94.9	Very high	38 Å²	38	42 Å²	42	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-43.4	175.4	-74.9	176.6	-160	0	0	112.1	Q118 L119 A125 I126 L306 N307	Q118-E122 WeakPolarHBondContact CG-OE1 3.38Å; Q118-E122 PolarHBondContact NE2-OE1 2.81Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 2.89Å; L119-E122 PolarHBondContact O-N 3.08Å; L119-E122 VanDerWaalsContact O-N 3.16Å; E122-A125 PolarHBondContact O-N 3.21Å; E122-I126 WeakPolarHBondContact O-CG1 3.34Å; E122-I126 PolarHBondContact O-N 2.8Å; E122-I126 VanDerWaalsContact O-N 3.09Å; E122-L306 HydrophobicContact CB-CD1 4.44Å; E122-L306 WeakPolarHBondContact OE2-CB 3.33Å; E122-N307 PolarHBondContact OE1-OD1 3.46Å
123	I	98	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-52.2	173.5	-72.3	164	0	0	0	109.8	V110 L119 G120 A125 I126 L127 I160 E162 F192 L306 F315	V110-I123 HydrophobicContact CG1-CG2 3.89Å; V110-I123 HydrophobicContact CG2-CG2 4.22Å; L119-I123 HydrophobicContact CD1-CD1 4.07Å; L119-I123 HydrophobicContact CD1-CG1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.86Å; L119-I123 HydrophobicContact CG-CG1 4.43Å; L119-I123 WeakPolarHBondContact O-CG1 3.29Å; L119-I123 PolarHBondContact O-N 2.92Å; G120-I123 PolarHBondContact O-N 3.49Å; I123-A125 VanDerWaalsContact C-N 3.31Å; I123-A125 PolarHBondContact O-N 3.1Å; I123-I126 PolarHBondContact O-N 2.83Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 3.41Å; I123-L127 VanDerWaalsContact O-N 3.11Å; I123-I160 HydrophobicContact CD1-CG2 3.98Å; I123-I160 HydrophobicContact CG2-CD1 4.19Å; I123-I160 HydrophobicContact CG2-CG2 4.32Å; I123-E162 HydrophobicContact CD1-CB 4.22Å; I123-F192 HydrophobicContact CD1-CD2 4.1Å; I123-F192 HydrophobicContact CD1-CE2 3.71Å; I123-F192 HydrophobicContact CD1-CZ 4.42Å; I123-F192 HydrophobicContact CG1-CE2 4.21Å; I123-F192 HydrophobicContact CG1-CZ 4.49Å; I123-L306 HydrophobicContact CG1-CD1 3.84Å; I123-F315 HydrophobicContact CB-CZ 4.48Å; I123-F315 HydrophobicContact CG1-CZ 4.2Å; I123-F315 HydrophobicContact CG2-CZ 4.01Å
124	V	97.1	Very high	95.3	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-43	178.5	165.5	0	0	0	0	111.2	G120 I126 L127 E128 Y134 T136	G120-V124 WeakPolarHBondContact O-CB 3.27Å; G120-V124 VanDerWaalsContact O-CG2 3.29Å; G120-V124 WeakPolarHBondContact O-CG2 3.31Å; G120-V124 PolarHBondContact O-N 3.1Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 2.88Å; V124-L127 PolarHBondContact O-N 3.41Å; V124-E128 HydrophobicContact CG1-CG 4.1Å; V124-E128 WeakPolarHBondContact CG1-OE1 3.39Å; V124-E128 WeakPolarHBondContact O-CB 3.47Å; V124-E128 VanDerWaalsContact O-CG 3.3Å; V124-E128 WeakPolarHBondContact O-CG 3.37Å; V124-E128 PolarHBondContact O-N 3.28Å; V124-Y134 HydrophobicContact CB-CE2 4.44Å; V124-Y134 HydrophobicContact CG1-CE1 4.11Å; V124-Y134 HydrophobicContact CG1-CE2 3.81Å; V124-Y134 VanDerWaalsContact CG1-CZ 3.46Å; V124-Y134 WeakPolarHBondContact CG1-OH 3.3Å; V124-Y134 HydrophobicContact CG2-CD2 4.21Å; V124-Y134 HydrophobicContact CG2-CE2 3.84Å; V124-T136 HydrophobicContact CG2-CG2 3.68Å
125	A	96.3	Very high	95.5	Very high	20 Å²	20	49.3 Å²	49.3	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-35.9	179.9	0	0	0	0	0	112.9	Q121 E122 I123 S129	Q121-A125 VanDerWaalsContact O-CB 3.26Å; Q121-A125 WeakPolarHBondContact O-CB 3.16Å; Q121-A125 PolarHBondContact O-N 3.31Å; E122-A125 PolarHBondContact O-N 3.21Å; I123-A125 VanDerWaalsContact C-N 3.31Å; I123-A125 PolarHBondContact O-N 3.1Å; A125-S129 WeakPolarHBondContact O-CB 3.49Å; A125-S129 PolarHBondContact O-N 3.37Å; A125-S129 VanDerWaalsContact O-N 3.1Å; A125-S129 PolarHBondContact O-OG 2.85Å
126	I	97.4	Very high	95.8	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-48.2	173.9	-68.6	174.3	0	0	0	110.4	E122 I123 V124 E128 S129 S130 L306 K312 F315 V316 L541	E122-I126 WeakPolarHBondContact O-CG1 3.34Å; E122-I126 PolarHBondContact O-N 2.8Å; E122-I126 VanDerWaalsContact O-N 3.09Å; I123-I126 PolarHBondContact O-N 2.83Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 2.88Å; I126-E128 VanDerWaalsContact C-N 3.34Å; I126-E128 PolarHBondContact O-N 2.72Å; I126-S129 PolarHBondContact O-N 3.35Å; I126-S130 PolarHBondContact O-N 2.7Å; I126-S130 PolarHBondContact O-OG 2.72Å; I126-L306 HydrophobicContact CD1-CD1 3.91Å; I126-K312 HydrophobicContact CD1-CB 4.46Å; I126-K312 HydrophobicContact CD1-CG 4.34Å; I126-F315 HydrophobicContact CB-CE1 4.14Å; I126-F315 HydrophobicContact CD1-CD1 3.71Å; I126-F315 HydrophobicContact CD1-CE1 4Å; I126-F315 HydrophobicContact CG2-CD1 4.06Å; I126-F315 HydrophobicContact CG2-CE1 3.89Å; I126-V316 HydrophobicContact CG2-CG2 4.13Å; I126-L541 HydrophobicContact CG1-CD1 4.34Å; I126-L541 HydrophobicContact CG2-CD2 3.97Å
127	L	97.6	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-43	178.6	-64	174.7	0	0	0	112.1	V108 V110 I123 V124 S130 R131 F132 Y134 I319	V108-L127 HydrophobicContact CB-CD1 4.19Å; V108-L127 HydrophobicContact CG1-CD1 4.09Å; V108-L127 HydrophobicContact CG2-CD1 4.5Å; V108-L127 HydrophobicContact CG2-CD2 4.06Å; V110-L127 HydrophobicContact CG2-CD1 3.77Å; I123-L127 HydrophobicContact CG2-CD1 4.09Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 3.41Å; I123-L127 VanDerWaalsContact O-N 3.11Å; V124-L127 PolarHBondContact O-N 3.41Å; L127-S130 CarbonylContact O-C 3.55Å; L127-S130 PolarHBondContact O-N 2.83Å; L127-R131 PolarHBondContact O-N 3.48Å; L127-R131 VanDerWaalsContact O-N 3.17Å; L127-F132 HydrophobicContact CB-CB 4.49Å; L127-F132 HydrophobicContact CD2-CB 4.21Å; L127-F132 HydrophobicContact CD2-CD2 4.06Å; L127-F132 PolarHBondContact O-N 2.81Å; L127-Y134 HydrophobicContact CB-CD1 4.22Å; L127-Y134 HydrophobicContact CD1-CG 4.26Å; L127-I319 HydrophobicContact CD2-CD1 3.8Å
128	E	95.6	Very high	95.7	Very high	19 Å²	19	44.9 Å²	44.9	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-41.7	177.6	-74.4	176.1	159.8	0	0	112.9	V124 I126 S130 R131 Y134 R489 Y490	V124-E128 HydrophobicContact CG1-CG 4.1Å; V124-E128 WeakPolarHBondContact CG1-OE1 3.39Å; V124-E128 WeakPolarHBondContact O-CB 3.47Å; V124-E128 VanDerWaalsContact O-CG 3.3Å; V124-E128 WeakPolarHBondContact O-CG 3.37Å; V124-E128 PolarHBondContact O-N 3.28Å; I126-E128 VanDerWaalsContact C-N 3.34Å; I126-E128 PolarHBondContact O-N 2.72Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-R131 PolarHBondContact O-N 3.39Å; E128-Y134 HydrophobicContact CG-CD1 4.47Å; E128-Y134 HydrophobicContact CG-CE1 3.52Å; E128-Y134 PolarHBondContact OE1-OH 3.4Å; E128-R489 HydrophobicContact CB-CG 4.5Å; E128-R489 WeakPolarHBondContact OE2-CD 3.02Å; E128-R489 IonicContact OE2-CZ 2.76Å; E128-R489 IonicContact OE2-NE 2.68Å; E128-R489 PolarHBondContact OE2-NE 2.9Å; E128-R489 IonicContact OE2-NH2 3.44Å; E128-Y490 HydrophobicContact CB-CE1 4.36Å; E128-Y490 VanDerWaalsContact CD-CE1 3.48Å; E128-Y490 HydrophobicContact CG-CE1 4.22Å; E128-Y490 PolarHBondContact OE1-OH 2.81Å; E128-Y490 VanDerWaalsContact OE2-CE1 3.3Å; E128-Y490 WeakPolarHBondContact OE2-CE1 3.37Å; E128-Y490 PolarHBondContact OE2-OH 2.88Å
129	S	95	Very high	95	Very high	17 Å²	17	39.9 Å²	39.9	12%	0.119	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-42.8	177.1	-58.7	0	0	0	0	110.4	A125 I126 R131 R489	A125-S129 WeakPolarHBondContact O-CB 3.49Å; A125-S129 PolarHBondContact O-N 3.37Å; A125-S129 VanDerWaalsContact O-N 3.1Å; A125-S129 PolarHBondContact O-OG 2.85Å; I126-S129 PolarHBondContact O-N 3.35Å; S129-R131 VanDerWaalsContact C-N 3.27Å; S129-R131 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact O-NH1 3.2Å; S129-R489 VanDerWaalsContact OG-CB 3.23Å; S129-R489 WeakPolarHBondContact OG-CB 3.25Å
130	S	95.3	Very high	93.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.021	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.8	178.4	-59.6	0	0	0	0	115.3	I126 L127 E128 F132	I126-S130 PolarHBondContact O-N 2.7Å; I126-S130 PolarHBondContact O-OG 2.72Å; L127-S130 CarbonylContact O-C 3.55Å; L127-S130 PolarHBondContact O-N 2.83Å; E128-S130 VanDerWaalsContact C-N 3.32Å; S130-F132 VanDerWaalsContact C-N 3.25Å; S130-F132 VanDerWaalsContact O-CD1 3.25Å; S130-F132 WeakPolarHBondContact O-CD1 3.36Å; S130-F132 VanDerWaalsContact O-CE1 3.32Å; S130-F132 WeakPolarHBondContact O-CE1 3.36Å; S130-F132 PolarHBondContact O-N 2.86Å
131	R	94.6	Very high	91.8	Very high	48 Å²	48	44.2 Å²	44.2	18%	0.181	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	28.1	-176.6	-50.5	-63.2	-170.5	-92.3	-2.4	114.1	L127 E128 S129 R491 R492 F595 E598	L127-R131 PolarHBondContact O-N 3.48Å; L127-R131 VanDerWaalsContact O-N 3.17Å; E128-R131 PolarHBondContact O-N 3.39Å; S129-R131 VanDerWaalsContact C-N 3.27Å; S129-R131 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact O-NH1 3.2Å; R131-R491 PolarHBondContact NH2-O 3.39Å; R131-R492 VanDerWaalsContact NE-NE 3.15Å; R131-R492 VanDerWaalsContact NH1-CZ 3.34Å; R131-F595 HydrophobicContact CB-CE1 4.48Å; R131-F595 HydrophobicContact CG-CD1 4.28Å; R131-F595 HydrophobicContact CG-CE1 3.7Å; R131-F595 HydrophobicContact CG-CZ 4.37Å; R131-E598 IonicContact CZ-OE1 3.6Å; R131-E598 IonicContact NE-OE1 2.76Å; R131-E598 PolarHBondContact NE-OE1 3.05Å; R131-E598 IonicContact NH2-OE1 3.55Å
132	F	95.9	Very high	90	Very high	25 Å²	25	48.9 Å²	48.9	11%	0.11	25%	0.248	C	C	.	.			trans	-88.1	129.4	177.3	-60.2	-19.9	0	0	0	110.3	L127 S130 I319 L327 L329	L127-F132 HydrophobicContact CB-CB 4.49Å; L127-F132 HydrophobicContact CD2-CB 4.21Å; L127-F132 HydrophobicContact CD2-CD2 4.06Å; L127-F132 PolarHBondContact O-N 2.81Å; S130-F132 VanDerWaalsContact C-N 3.25Å; S130-F132 VanDerWaalsContact O-CD1 3.25Å; S130-F132 WeakPolarHBondContact O-CD1 3.36Å; S130-F132 VanDerWaalsContact O-CE1 3.32Å; S130-F132 WeakPolarHBondContact O-CE1 3.36Å; S130-F132 PolarHBondContact O-N 2.86Å; F132-I319 HydrophobicContact CD2-CG2 4.23Å; F132-I319 HydrophobicContact CE2-CG2 4.05Å; F132-L327 HydrophobicContact CB-CD2 4.29Å; F132-L327 HydrophobicContact CD1-CB 4.43Å; F132-L327 HydrophobicContact CD1-CD2 3.96Å; F132-L327 HydrophobicContact CD2-CB 4.17Å; F132-L327 HydrophobicContact CE1-CB 4.4Å; F132-L327 HydrophobicContact CE2-CB 4.12Å; F132-L327 HydrophobicContact CG-CB 4.34Å; F132-L327 HydrophobicContact CG-CD2 4.08Å; F132-L327 HydrophobicContact CZ-CB 4.25Å; F132-L327 WeakPolarHBondContact CZ-O 3.05Å; F132-L329 HydrophobicContact CE1-CD2 4.3Å; F132-L329 HydrophobicContact CZ-CD2 4.42Å; F132-L329 HydrophobicContact CZ-CG 4.27Å
133	H	96.2	Very high	88.2	Confident	135 Å²	135	50.2 Å²	50.2	63%	0.625	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.1	175.2	-66	95.5	0	0	0	109.6	V107 V108	V107-H133 WeakPolarHBondContact CA-O 3.18Å; V107-H133 HydrophobicContact CG1-CB 4.42Å; V107-H133 HydrophobicContact CG2-CB 4.08Å; V108-H133 PolarHBondContact N-O 3.33Å
134	Y	97.1	Very high	86.8	Confident	77 Å²	77	57.1 Å²	57.1	30%	0.302	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	-179	71.9	-87.5	0	0	0	111.3	V108 V124 L127 E128 T136	V108-Y134 CarbonylContact O-C 3.57Å; V108-Y134 WeakPolarHBondContact O-CA 3.4Å; V124-Y134 HydrophobicContact CB-CE2 4.44Å; V124-Y134 HydrophobicContact CG1-CE1 4.11Å; V124-Y134 HydrophobicContact CG1-CE2 3.81Å; V124-Y134 VanDerWaalsContact CG1-CZ 3.46Å; V124-Y134 WeakPolarHBondContact CG1-OH 3.3Å; V124-Y134 HydrophobicContact CG2-CD2 4.21Å; V124-Y134 HydrophobicContact CG2-CE2 3.84Å; L127-Y134 HydrophobicContact CB-CD1 4.22Å; L127-Y134 HydrophobicContact CD1-CG 4.26Å; E128-Y134 HydrophobicContact CG-CD1 4.47Å; E128-Y134 HydrophobicContact CG-CE1 3.52Å; E128-Y134 PolarHBondContact OE1-OH 3.4Å; Y134-T136 HydrophobicContact CD2-CG2 3.98Å; Y134-T136 HydrophobicContact CE2-CG2 3.88Å
135	R	95.8	Very high	86.1	Confident	89 Å²	89	57.2 Å²	57.2	34%	0.336	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.4	168.5	-174.3	-177.9	177.5	168	-1.8	108.5	V108 L109 V110 E137 Y156	V108-R135 PolarHBondContact O-N 2.88Å; L109-R135 HydrophobicContact CD1-CB 4.41Å; V110-R135 PolarHBondContact N-O 2.79Å; R135-E137 IonicContact CZ-OE1 2.95Å; R135-E137 IonicContact NE-OE1 3.85Å; R135-E137 PolarHBondContact NE-OE1 3.39Å; R135-E137 IonicContact NH2-OE1 3.64Å; R135-E137 PolarHBondContact NH2-OE1 3.3Å; R135-Y156 HydrophobicContact CB-CE1 4.02Å; R135-Y156 WeakPolarHBondContact CD-OH 3.48Å; R135-Y156 PolarHBondContact NH1-OH 2.8Å
136	T	94.8	Very high	85.7	Confident	63 Å²	63	57.2 Å²	57.2	39%	0.387	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.5	173.9	45.5	0	0	0	0	110.4	V110 V124 Y134	V110-T136 HydrophobicContact CB-CG2 4.21Å; V110-T136 CarbonylContact O-C 3.53Å; V110-T136 WeakPolarHBondContact O-CA 3.45Å; V124-T136 HydrophobicContact CG2-CG2 3.68Å; Y134-T136 HydrophobicContact CD2-CG2 3.98Å; Y134-T136 HydrophobicContact CE2-CG2 3.88Å
137	E	93	Very high	85.4	Confident	56 Å²	56	61 Å²	61	26%	0.262	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.7	173.5	-69.5	-65	165.7	0	0	109	L109 V110 F111 V112 R135 A139 P146	L109-E137 HydrophobicContact CD1-CB 4.44Å; L109-E137 HydrophobicContact CD1-CG 3.89Å; V110-E137 PolarHBondContact O-N 3.39Å; F111-E137 WeakPolarHBondContact CA-O 3.01Å; F111-E137 HydrophobicContact CD1-CB 3.97Å; F111-E137 HydrophobicContact CE1-CB 3.91Å; V112-E137 PolarHBondContact N-O 2.84Å; R135-E137 IonicContact CZ-OE1 2.95Å; R135-E137 IonicContact NE-OE1 3.85Å; R135-E137 PolarHBondContact NE-OE1 3.39Å; R135-E137 IonicContact NH2-OE1 3.64Å; R135-E137 PolarHBondContact NH2-OE1 3.3Å; E137-A139 PolarHBondContact O-N 3.38Å; E137-P146 HydrophobicContact CG-CB 4.29Å; E137-P146 HydrophobicContact CG-CG 4.16Å
138	I	90.9	Very high	85.1	Confident	96 Å²	96	61.4 Å²	61.4	49%	0.492	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129	172.8	-61.4	175.4	0	0	0	107.7	V112 I115 P140	V112-I138 CarbonylContact O-C 3.25Å; V112-I138 VanDerWaalsContact O-CA 3.3Å; V112-I138 WeakPolarHBondContact O-CA 3.19Å; I115-I138 HydrophobicContact CG2-CD1 4.32Å; I115-I138 HydrophobicContact CG2-CG1 4.43Å; I138-P140 WeakPolarHBondContact O-CD 3.31Å; I138-P140 VanDerWaalsContact O-N 3.13Å
139	A	79.9	Confident	85	Confident	12 Å²	12	63.5 Å²	63.5	10%	0.099	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-54.7	118.5	-176.7	0	0	0	0	0	110.8	F111 V112 E137 A141 K166	F111-A139 HydrophobicContact CB-CB 4.32Å; V112-A139 PolarHBondContact O-N 2.9Å; E137-A139 PolarHBondContact O-N 3.38Å; A139-A141 PolarHBondContact O-N 2.89Å; A139-K166 HydrophobicContact CB-CB 3.92Å; A139-K166 HydrophobicContact CB-CD 4.19Å; A139-K166 HydrophobicContact CB-CG 3.82Å
140	P	66.8	Low	84.6	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.084	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.7	121.6	-172.9	25.4	-32.7	0	0	0	110.2	I138 S143 M145 L170	I138-P140 WeakPolarHBondContact O-CD 3.31Å; I138-P140 VanDerWaalsContact O-N 3.13Å; P140-S143 WeakPolarHBondContact CA-OG 3.49Å; P140-S143 VanDerWaalsContact CB-O 3.3Å; P140-S143 WeakPolarHBondContact CB-O 3.12Å; P140-S143 WeakPolarHBondContact CB-OG 3.45Å; P140-M145 HydrophobicContact CG-SD 3.91Å; P140-L170 HydrophobicContact CG-CD2 4.03Å
141	A	57.8	Low	84	Confident	87 Å²	87	75.4 Å²	75.4	72%	0.719	39%	0.389	S	S	*	.	S	Bend	trans	-84.4	-31.9	168.3	0	0	0	0	0	111.7	A139	A139-A141 PolarHBondContact O-N 2.89Å
142	K	57.9	Low	83.5	Confident	201 Å²	201	79.8 Å²	79.8	87%	0.874	42%	0.416	S	S	*	.	S	Bend	trans	-155.2	4.4	177.9	-67	-171.2	178.5	178.7	0	113.7
143	S	58.8	Low	83.3	Confident	66 Å²	66	85.1 Å²	85.1	46%	0.462	44%	0.435	S	S	.	.	S	Bend	trans	-89.8	158.2	-177.1	57.2	0	0	0	0	111.7	P140	P140-S143 WeakPolarHBondContact CA-OG 3.49Å; P140-S143 VanDerWaalsContact CB-O 3.3Å; P140-S143 WeakPolarHBondContact CB-O 3.12Å; P140-S143 WeakPolarHBondContact CB-OG 3.45Å
144	D	68.4	Low	83.2	Confident	144 Å²	144	78.7 Å²	78.7	77%	0.77	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-61.8	136.9	178.6	-66.9	-29.5	0	0	0	111.6
145	M	82.1	Confident	83.2	Confident	20 Å²	20	78.4 Å²	78.4	10%	0.099	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.9	144.7	171.7	-80.1	-73.8	-70.8	0	0	111	F111 P140 L148 N174 L177 L178	F111-M145 HydrophobicContact CE1-SD 4.32Å; F111-M145 HydrophobicContact CE2-CE 4.32Å; F111-M145 HydrophobicContact CZ-CE 3.77Å; F111-M145 HydrophobicContact CZ-SD 3.83Å; P140-M145 HydrophobicContact CG-SD 3.91Å; M145-L148 HydrophobicContact CE-CD1 4.29Å; M145-L148 HydrophobicContact CE-CD2 4.28Å; M145-N174 HydrophobicContact CG-CB 4.01Å; M145-N174 WeakPolarHBondContact CG-OD1 3.28Å; M145-L177 HydrophobicContact CB-CD2 4.39Å; M145-L178 HydrophobicContact CE-CB 4.28Å; M145-L178 HydrophobicContact CE-CD1 3.66Å; M145-L178 HydrophobicContact CE-CD2 4.17Å; M145-L178 HydrophobicContact CE-CG 4.27Å
146	P	89	Confident	83.3	Confident	19 Å²	19	74.4 Å²	74.4	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.8	150.1	172.1	29.3	-36.8	0	0	0	109.6	L109 F111 E137 L148	L109-P146 HydrophobicContact CD1-CG 4.25Å; L109-P146 HydrophobicContact CD2-CG 3.93Å; F111-P146 HydrophobicContact CZ-CG 4.26Å; E137-P146 HydrophobicContact CG-CB 4.29Å; E137-P146 HydrophobicContact CG-CG 4.16Å; P146-L148 WeakPolarHBondContact O-CG 3.29Å; P146-L148 PolarHBondContact O-N 2.83Å
147	T	90.1	Very high	83.4	Confident	90 Å²	90	71.4 Å²	71.4	55%	0.552	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-56.2	118.2	176	-40.5	0	0	0	0	109.8	T149 R155	T147-T149 VanDerWaalsContact CG2-O 3.23Å; T147-T149 WeakPolarHBondContact CG2-O 3.13Å; T147-R155 VanDerWaalsContact O-CD 3.3Å; T147-R155 WeakPolarHBondContact O-CD 3.32Å; T147-R155 PolarHBondContact O-NH1 3.35Å
148	L	92.9	Very high	83.6	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.052	36%	0.358	C	S	.	.			trans	-89.7	-23.2	-176.7	-60.8	178.7	0	0	0	113	L109 M145 P146 R155 Y156 L177 L178 Y181	L109-L148 HydrophobicContact CD2-CD2 4.08Å; M145-L148 HydrophobicContact CE-CD1 4.29Å; M145-L148 HydrophobicContact CE-CD2 4.28Å; P146-L148 WeakPolarHBondContact O-CG 3.29Å; P146-L148 PolarHBondContact O-N 2.83Å; L148-R155 WeakPolarHBondContact O-CB 3.45Å; L148-R155 PolarHBondContact O-N 3.25Å; L148-Y156 HydrophobicContact CD2-CD2 4.09Å; L148-Y156 HydrophobicContact CD2-CE2 4.24Å; L148-L177 HydrophobicContact CD1-CG 4.34Å; L148-L178 HydrophobicContact CD1-CD1 3.98Å; L148-Y181 HydrophobicContact CB-CD1 4.43Å; L148-Y181 HydrophobicContact CB-CD2 3.76Å; L148-Y181 HydrophobicContact CB-CE2 3.94Å; L148-Y181 HydrophobicContact CB-CG 4.02Å; L148-Y181 HydrophobicContact CD1-CD1 4.15Å; L148-Y181 HydrophobicContact CD1-CD2 4.41Å; L148-Y181 HydrophobicContact CD1-CG 3.86Å; L148-Y181 HydrophobicContact CG-CG 4.48Å; L148-Y181 VanDerWaalsContact O-CE2 3.26Å; L148-Y181 WeakPolarHBondContact O-CE2 3.5Å
149	T	91.9	Very high	84	Confident	62 Å²	62	64.1 Å²	64.1	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.7	-178	56.7	0	0	0	0	112.1	T147 R153 Y181 Y185	T147-T149 VanDerWaalsContact CG2-O 3.23Å; T147-T149 WeakPolarHBondContact CG2-O 3.13Å; T149-R153 CarbonylContact C-O 3.59Å; T149-R153 WeakPolarHBondContact CA-O 3.26Å; T149-R153 WeakPolarHBondContact CB-O 3.5Å; T149-Y181 HydrophobicContact CG2-CD2 3.97Å; T149-Y181 HydrophobicContact CG2-CE2 3.95Å; T149-Y185 HydrophobicContact CG2-CE2 3.74Å
150	E	87	Confident	84.9	Confident	101 Å²	101	63.6 Å²	63.6	47%	0.472	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.1	174.2	-152.4	-175.2	151.6	0	0	108.4	N152 R153 R155	E150-N152 VanDerWaalsContact C-N 3.3Å; E150-N152 PolarHBondContact O-N 3.46Å; E150-R153 PolarHBondContact N-O 3.44Å; E150-R153 WeakPolarHBondContact O-CB 3.05Å; E150-R153 PolarHBondContact O-N 3.48Å; E150-R155 HydrophobicContact CB-CG 4.03Å; E150-R155 IonicContact OE2-NE 3.7Å
151	H	83.9	Confident	86.3	Confident	170 Å²	170	63 Å²	63	79%	0.787	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	45.8	-178.7	-51.7	96.7	0	0	0	113.9	R153	H151-R153 PolarHBondContact O-N 3.28Å
152	N	83.7	Confident	88.1	Confident	139 Å²	139	59.5 Å²	59.5	74%	0.743	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	11.3	-175.9	-69	-16.7	0	0	0	116.4	E150 Y185	E150-N152 VanDerWaalsContact C-N 3.3Å; E150-N152 PolarHBondContact O-N 3.46Å; N152-Y185 PolarHBondContact O-OH 2.85Å
153	R	92.4	Very high	89.9	Confident	138 Å²	138	51.5 Å²	51.5	52%	0.521	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146.7	169.7	-73.7	-174.9	145.2	-157.1	-1.8	111.4	E105 T149 E150 H151	E105-R153 IonicContact OE1-CZ 3.44Å; E105-R153 IonicContact OE1-NH1 3.52Å; E105-R153 PolarHBondContact OE1-NH1 3.5Å; T149-R153 CarbonylContact C-O 3.59Å; T149-R153 WeakPolarHBondContact CA-O 3.26Å; T149-R153 WeakPolarHBondContact CB-O 3.5Å; E150-R153 PolarHBondContact N-O 3.44Å; E150-R153 WeakPolarHBondContact O-CB 3.05Å; E150-R153 PolarHBondContact O-N 3.48Å; H151-R153 PolarHBondContact O-N 3.28Å
154	G	94.1	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.4	171.2	0	0	0	0	0	110.7	R103 T104 E105 Y181 Y185	R103-G154 PolarHBondContact O-N 3.35Å; T104-G154 CarbonylContact C-O 3.6Å; T104-G154 WeakPolarHBondContact CA-O 3.4Å; E105-G154 PolarHBondContact N-O 2.83Å; G154-Y181 WeakPolarHBondContact CA-OH 3.36Å; G154-Y185 VanDerWaalsContact N-CE1 3.32Å
155	R	95.8	Very high	92.8	Very high	70 Å²	70	44.5 Å²	44.5	26%	0.264	22%	0.219	S	C	.	.	S	Bend	trans	-83.5	-16.4	-177.4	-65.6	-174.8	74.5	-168	8	113.5	T147 L148 E150 Y181	T147-R155 VanDerWaalsContact O-CD 3.3Å; T147-R155 WeakPolarHBondContact O-CD 3.32Å; T147-R155 PolarHBondContact O-NH1 3.35Å; L148-R155 WeakPolarHBondContact O-CB 3.45Å; L148-R155 PolarHBondContact O-N 3.25Å; E150-R155 HydrophobicContact CB-CG 4.03Å; E150-R155 IonicContact OE2-NE 3.7Å; R155-Y181 PolarHBondContact N-OH 2.9Å
156	Y	97.3	Very high	93.3	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.02	23%	0.23	C	C	.	.			trans	-133.9	131.3	-172.5	-52.8	-69.6	0	0	0	111.4	V107 L109 R135 L148 Y181 V187	V107-Y156 HydrophobicContact CB-CD1 4.13Å; V107-Y156 HydrophobicContact CG1-CD1 3.88Å; V107-Y156 HydrophobicContact CG1-CE1 4Å; V107-Y156 CarbonylContact O-C 3.45Å; V107-Y156 VanDerWaalsContact O-CA 3.25Å; V107-Y156 WeakPolarHBondContact O-CA 3.35Å; L109-Y156 HydrophobicContact CB-CD1 3.72Å; L109-Y156 HydrophobicContact CB-CD2 4.12Å; L109-Y156 HydrophobicContact CB-CE1 4.17Å; L109-Y156 HydrophobicContact CB-CG 3.71Å; L109-Y156 HydrophobicContact CD1-CE1 4.25Å; L109-Y156 HydrophobicContact CD1-CE2 4.43Å; L109-Y156 HydrophobicContact CD2-CD2 3.98Å; L109-Y156 HydrophobicContact CD2-CE2 4.08Å; L109-Y156 HydrophobicContact CD2-CG 4.42Å; R135-Y156 HydrophobicContact CB-CE1 4.02Å; R135-Y156 WeakPolarHBondContact CD-OH 3.48Å; R135-Y156 PolarHBondContact NH1-OH 2.8Å; L148-Y156 HydrophobicContact CD2-CD2 4.09Å; L148-Y156 HydrophobicContact CD2-CE2 4.24Å; Y156-Y181 PolarHBondContact N-OH 2.83Å; Y156-Y181 PolarHBondContact O-OH 2.9Å; Y156-V187 VanDerWaalsContact O-CG2 3.24Å; Y156-V187 WeakPolarHBondContact O-CG2 3.46Å
157	A	97.3	Very high	93.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-89.7	-16	177.6	0	0	0	0	0	113.3	T104 E105 V107 T323	T104-A157 WeakPolarHBondContact OG1-CA 3.22Å; T104-A157 WeakPolarHBondContact OG1-CB 3.33Å; E105-A157 WeakPolarHBondContact O-CB 3.31Å; E105-A157 PolarHBondContact O-N 2.88Å; V107-A157 PolarHBondContact O-N 3.31Å; A157-T323 HydrophobicContact CB-CG2 4.46Å
158	L	98.4	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144.1	-178.3	-176.5	66.7	0	0	0	109.9	V108 L109 I160 I190 I319 L322 T323	V108-L158 HydrophobicContact CG1-CB 4.29Å; V108-L158 HydrophobicContact CG1-CD2 4.17Å; V108-L158 HydrophobicContact CG1-CG 4.34Å; V108-L158 HydrophobicContact CG2-CB 4.32Å; V108-L158 HydrophobicContact CG2-CD2 4.32Å; L109-L158 PolarHBondContact N-O 2.88Å; L158-I160 HydrophobicContact CD2-CD1 4.03Å; L158-I160 HydrophobicContact CD2-CG1 4.06Å; L158-I160 HydrophobicContact CG-CG1 4.16Å; L158-I190 HydrophobicContact CD1-CD1 4.48Å; L158-I190 HydrophobicContact CD1-CG1 4.33Å; L158-I190 HydrophobicContact CD2-CD1 4.06Å; L158-I319 HydrophobicContact CD2-CB 4.2Å; L158-I319 HydrophobicContact CD2-CG1 3.9Å; L158-I319 HydrophobicContact CD2-CG2 3.97Å; L158-L322 HydrophobicContact CD1-CB 3.65Å; L158-L322 HydrophobicContact CD1-CD1 3.98Å; L158-T323 HydrophobicContact CB-CG2 3.81Å; L158-T323 HydrophobicContact CD1-CG2 4.45Å; L158-T323 HydrophobicContact CD2-CG2 4.29Å; L158-T323 HydrophobicContact CG-CG2 4.43Å
159	I	98.3	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.7	171.3	-63.1	154.4	0	0	0	109.3	L109 F111 Y161 L178 Y181 V187 G188 V189 I190	L109-I159 HydrophobicContact CB-CG1 4.26Å; L109-I159 HydrophobicContact CD2-CG1 4.47Å; L109-I159 CarbonylContact O-C 3.54Å; L109-I159 WeakPolarHBondContact O-CA 3.36Å; F111-I159 HydrophobicContact CD2-CG2 3.92Å; F111-I159 HydrophobicContact CE2-CG2 3.94Å; I159-Y161 HydrophobicContact CG2-CD2 3.9Å; I159-Y161 HydrophobicContact CG2-CE2 3.51Å; I159-L178 HydrophobicContact CD1-CD1 3.47Å; I159-L178 VanDerWaalsContact CD1-CD1 3.47Å; I159-L178 HydrophobicContact CD1-CG 4.37Å; I159-Y181 HydrophobicContact CD1-CD1 4.25Å; I159-Y181 HydrophobicContact CD1-CE1 4.32Å; I159-V187 HydrophobicContact CD1-CG1 3.83Å; I159-V187 HydrophobicContact CG1-CG1 3.99Å; I159-G188 PolarHBondContact N-O 2.93Å; I159-G188 VanDerWaalsContact N-O 3.16Å; I159-V189 CarbonylContact O-C 3.24Å; I159-V189 VanDerWaalsContact O-CA 3.32Å; I159-V189 WeakPolarHBondContact O-CA 3.35Å; I159-I190 PolarHBondContact O-N 3.06Å
160	I	98.5	Very high	93.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.8	178.2	-53.4	-175.6	0	0	0	109	V108 L109 V110 F111 I123 L158 I190 F192 F315	V108-I160 HydrophobicContact CG1-CD1 3.56Å; V108-I160 HydrophobicContact CG1-CG1 3.71Å; L109-I160 PolarHBondContact O-N 3.43Å; V110-I160 WeakPolarHBondContact CA-O 3.22Å; V110-I160 HydrophobicContact CG1-CB 4.48Å; V110-I160 HydrophobicContact CG2-CB 4.47Å; F111-I160 PolarHBondContact N-O 3.12Å; I123-I160 HydrophobicContact CD1-CG2 3.98Å; I123-I160 HydrophobicContact CG2-CD1 4.19Å; I123-I160 HydrophobicContact CG2-CG2 4.32Å; L158-I160 HydrophobicContact CD2-CD1 4.03Å; L158-I160 HydrophobicContact CD2-CG1 4.06Å; L158-I160 HydrophobicContact CG-CG1 4.16Å; I160-I190 CarbonylContact C-O 3.58Å; I160-I190 WeakPolarHBondContact CA-O 3.49Å; I160-I190 HydrophobicContact CD1-CD1 4.35Å; I160-I190 HydrophobicContact CG1-CB 4.18Å; I160-I190 HydrophobicContact CG1-CD1 4.42Å; I160-I190 HydrophobicContact CG2-CB 4.24Å; I160-I190 HydrophobicContact CG2-CG2 4.42Å; I160-F192 HydrophobicContact CG2-CE2 4.14Å; I160-F315 HydrophobicContact CD1-CE2 3.96Å; I160-F315 HydrophobicContact CD1-CZ 3.81Å
161	Y	97.5	Very high	93.5	Very high	2 Å²	2	43 Å²	43	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.8	170.6	-78.7	-90.1	0	0	0	109.8	F111 I159 N163 K166 Y167 L178 V189 I190 F192	F111-Y161 HydrophobicContact CB-CD1 3.61Å; F111-Y161 HydrophobicContact CB-CE1 3.69Å; F111-Y161 HydrophobicContact CB-CG 4.25Å; F111-Y161 HydrophobicContact CD2-CD1 4.07Å; F111-Y161 HydrophobicContact CD2-CD2 4.29Å; F111-Y161 AromaticContact CD2-CE1 3.49Å; F111-Y161 HydrophobicContact CD2-CE1 3.49Å; F111-Y161 VanDerWaalsContact CD2-CE1 3.49Å; F111-Y161 AromaticContact CD2-CE2 3.76Å; F111-Y161 HydrophobicContact CD2-CE2 3.76Å; F111-Y161 HydrophobicContact CD2-CG 4.43Å; F111-Y161 AromaticContact CD2-CZ 3.3Å; F111-Y161 WeakPolarHBondContact CD2-OH 2.98Å; F111-Y161 HydrophobicContact CE2-CE1 4.22Å; F111-Y161 HydrophobicContact CE2-CE2 4.2Å; F111-Y161 AromaticContact CE2-CZ 3.69Å; F111-Y161 WeakPolarHBondContact CE2-OH 3.33Å; F111-Y161 HydrophobicContact CG-CD1 4.09Å; F111-Y161 AromaticContact CG-CE1 3.65Å; F111-Y161 HydrophobicContact CG-CE1 3.65Å; F111-Y161 AromaticContact CG-CZ 3.97Å; I159-Y161 HydrophobicContact CG2-CD2 3.9Å; I159-Y161 HydrophobicContact CG2-CE2 3.51Å; Y161-N163 PolarHBondContact O-N 3.46Å; Y161-K166 HydrophobicContact CD1-CB 4.14Å; Y161-K166 HydrophobicContact CE1-CB 4.39Å; Y161-Y167 HydrophobicContact CD2-CD2 4.2Å; Y161-Y167 HydrophobicContact CD2-CG 4.17Å; Y161-Y167 AromaticContact CE2-CD2 3.55Å; Y161-Y167 HydrophobicContact CE2-CD2 3.55Å; Y161-Y167 HydrophobicContact CE2-CE2 4.4Å; Y161-Y167 AromaticContact CE2-CG 3.96Å; Y161-Y167 HydrophobicContact CE2-CG 3.96Å; Y161-Y167 AromaticContact CZ-CD2 3.88Å; Y161-L178 HydrophobicContact CE2-CD2 4.16Å; Y161-L178 WeakPolarHBondContact OH-CD2 3.16Å; Y161-V189 HydrophobicContact CD2-CG1 4.01Å; Y161-V189 HydrophobicContact CE2-CG1 4.5Å; Y161-I190 PolarHBondContact N-O 2.79Å; Y161-F192 PolarHBondContact O-N 2.89Å; Y161-F192 VanDerWaalsContact O-N 3.1Å
162	E	95.9	Very high	93.8	Very high	12 Å²	12	39 Å²	39	6%	0.056	20%	0.201	C	C	.	.	S	Bend	trans	-65.3	-18.5	172.1	81.8	173.4	-153.3	0	0	112.6	F111 V112 E113 S117 L119 G120 I123 F192	F111-E162 PolarHBondContact O-N 3.35Å; V112-E162 VanDerWaalsContact CA-CD 3.42Å; V112-E162 WeakPolarHBondContact CA-OE2 3.48Å; V112-E162 VanDerWaalsContact CB-OE2 3.3Å; V112-E162 WeakPolarHBondContact CB-OE2 3.26Å; V112-E162 WeakPolarHBondContact CG1-OE2 3.44Å; E113-E162 WeakPolarHBondContact CA-OE1 3.3Å; E113-E162 WeakPolarHBondContact CB-OE1 3.46Å; E113-E162 HydrophobicContact CG-CG 4.11Å; E113-E162 VanDerWaalsContact CG-OE1 3.31Å; E113-E162 WeakPolarHBondContact CG-OE1 3.47Å; E113-E162 PolarHBondContact N-OE1 2.99Å; S117-E162 WeakPolarHBondContact CB-OE1 3.39Å; S117-E162 VanDerWaalsContact CB-OE2 3.29Å; S117-E162 WeakPolarHBondContact CB-OE2 3.33Å; S117-E162 PolarHBondContact OG-OE1 3.02Å; S117-E162 PolarHBondContact OG-OE2 3.48Å; L119-E162 HydrophobicContact CD2-CB 3.95Å; L119-E162 VanDerWaalsContact CD2-O 3.32Å; L119-E162 WeakPolarHBondContact CD2-O 3.41Å; L119-E162 HydrophobicContact CG-CB 4.18Å; G120-E162 WeakPolarHBondContact CA-OE2 3.31Å; G120-E162 PolarHBondContact N-OE2 3.48Å; G120-E162 VanDerWaalsContact N-OE2 3.15Å; I123-E162 HydrophobicContact CD1-CB 4.22Å; E162-F192 WeakPolarHBondContact O-CB 3.4Å
163	N	94.7	Very high	94.1	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	19%	0.194	C	C	.	.	S	Bend	trans	-138.6	108.5	170.2	-176.3	-5.7	0	0	0	109.7	E113 Y161 L165 K166 F192	E113-N163 HydrophobicContact CG-CB 4.27Å; E113-N163 PolarHBondContact OE1-ND2 2.96Å; Y161-N163 PolarHBondContact O-N 3.46Å; N163-L165 PolarHBondContact O-N 3.37Å; N163-L165 VanDerWaalsContact O-N 3.13Å; N163-L165 VanDerWaalsContact OD1-CB 3.26Å; N163-L165 WeakPolarHBondContact OD1-CB 3.47Å; N163-L165 PolarHBondContact OD1-N 2.89Å; N163-K166 HydrophobicContact CB-CG 4.16Å; N163-K166 WeakPolarHBondContact O-CB 3.47Å; N163-K166 PolarHBondContact O-N 3.24Å; N163-F192 CarbonylContact C-O 3.54Å; N163-F192 WeakPolarHBondContact CA-O 3.4Å
164	V	94.9	Very high	94	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-22.5	-179.8	73.4	0	0	0	0	112.3	K166 Y167 V168 F192 F193 L205 L301	V164-K166 PolarHBondContact O-N 3Å; V164-Y167 HydrophobicContact CG2-CD1 4.4Å; V164-Y167 WeakPolarHBondContact O-CB 3.29Å; V164-Y167 PolarHBondContact O-N 3.49Å; V164-V168 PolarHBondContact O-N 3.43Å; V164-F192 PolarHBondContact N-O 3.15Å; V164-F193 HydrophobicContact CG1-CB 3.87Å; V164-F193 HydrophobicContact CG1-CD2 3.99Å; V164-F193 HydrophobicContact CG1-CG 4.41Å; V164-L205 HydrophobicContact CG1-CD1 4.47Å; V164-L301 HydrophobicContact CG2-CD2 3.97Å
165	L	93.6	Very high	93.9	Very high	57 Å²	57	35.2 Å²	35.2	30%	0.298	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-28.3	174	-66.3	-172.6	0	0	0	112.5	N163 Y167 V168 N169 F193 L205	N163-L165 PolarHBondContact O-N 3.37Å; N163-L165 VanDerWaalsContact O-N 3.13Å; N163-L165 VanDerWaalsContact OD1-CB 3.26Å; N163-L165 WeakPolarHBondContact OD1-CB 3.47Å; N163-L165 PolarHBondContact OD1-N 2.89Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; L165-V168 HydrophobicContact CD2-CG2 4.23Å; L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 2.87Å; L165-N169 VanDerWaalsContact O-N 3.09Å; L165-N169 PolarHBondContact O-ND2 2.88Å; L165-F193 HydrophobicContact CD1-CD2 4.4Å; L165-F193 HydrophobicContact CD1-CE2 3.72Å; L165-F193 HydrophobicContact CD2-CD2 4.1Å; L165-F193 HydrophobicContact CD2-CE2 3.75Å; L165-F193 HydrophobicContact CG-CD2 3.89Å; L165-F193 HydrophobicContact CG-CE2 3.63Å; L165-L205 HydrophobicContact CD2-CD1 4.25Å
166	K	92.8	Very high	93.8	Very high	78 Å²	78	35.5 Å²	35.5	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-68	-35.2	174.8	-60.9	-64.4	-177.2	178.9	0	111.5	E113 A139 Y161 N163 V164 L170	E113-K166 VanDerWaalsContact OE1-CE 3.25Å; E113-K166 WeakPolarHBondContact OE1-CE 3.39Å; A139-K166 HydrophobicContact CB-CB 3.92Å; A139-K166 HydrophobicContact CB-CD 4.19Å; A139-K166 HydrophobicContact CB-CG 3.82Å; Y161-K166 HydrophobicContact CD1-CB 4.14Å; Y161-K166 HydrophobicContact CE1-CB 4.39Å; N163-K166 HydrophobicContact CB-CG 4.16Å; N163-K166 WeakPolarHBondContact O-CB 3.47Å; N163-K166 PolarHBondContact O-N 3.24Å; V164-K166 PolarHBondContact O-N 3Å; K166-L170 WeakPolarHBondContact O-CG 3.43Å; K166-L170 PolarHBondContact O-N 3.37Å
167	Y	91.7	Very high	93.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-68.8	-44.3	176.9	174.6	-120.8	0	0	0	112.5	Y161 V164 L165 L170 R175 L178 D179 F208 R299	Y161-Y167 HydrophobicContact CD2-CD2 4.2Å; Y161-Y167 HydrophobicContact CD2-CG 4.17Å; Y161-Y167 AromaticContact CE2-CD2 3.55Å; Y161-Y167 HydrophobicContact CE2-CD2 3.55Å; Y161-Y167 HydrophobicContact CE2-CE2 4.4Å; Y161-Y167 AromaticContact CE2-CG 3.96Å; Y161-Y167 HydrophobicContact CE2-CG 3.96Å; Y161-Y167 AromaticContact CZ-CD2 3.88Å; V164-Y167 HydrophobicContact CG2-CD1 4.4Å; V164-Y167 WeakPolarHBondContact O-CB 3.29Å; V164-Y167 PolarHBondContact O-N 3.49Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; Y167-L170 HydrophobicContact CD2-CD1 4.45Å; Y167-R175 VanDerWaalsContact CE2-CZ 3.46Å; Y167-R175 PolarHBondContact O-NH1 2.81Å; Y167-R175 PolarHBondContact OH-NH2 3.48Å; Y167-L178 HydrophobicContact CD2-CD2 3.83Å; Y167-L178 HydrophobicContact CE2-CD2 3.7Å; Y167-L178 HydrophobicContact CE2-CG 4.46Å; Y167-D179 PolarHBondContact OH-OD1 2.94Å; Y167-F208 HydrophobicContact CE1-CZ 4.19Å; Y167-R299 PolarHBondContact OH-NE 3.23Å; Y167-R299 PolarHBondContact OH-NH2 3.41Å
168	V	91.9	Very high	93.4	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-80.9	-18	-177.5	-51.1	0	0	0	0	113.8	V164 L165 L205 K206 F208	V164-V168 PolarHBondContact O-N 3.43Å; L165-V168 HydrophobicContact CD2-CG2 4.23Å; V168-L205 HydrophobicContact CG1-CD1 3.85Å; V168-L205 HydrophobicContact CG1-CD2 4.27Å; V168-L205 HydrophobicContact CG1-CG 4.02Å; V168-L205 HydrophobicContact CG2-CD1 4.04Å; V168-K206 HydrophobicContact CG2-CB 4.44Å; V168-F208 HydrophobicContact CG1-CD2 4.12Å; V168-F208 HydrophobicContact CG1-CE2 3.69Å
169	N	91.8	Very high	93.3	Very high	95 Å²	95	40 Å²	40	51%	0.508	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	11.6	177.5	-64.4	-50.3	0	0	0	113.7	L165	L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 2.87Å; L165-N169 VanDerWaalsContact O-N 3.09Å; L165-N169 PolarHBondContact O-ND2 2.88Å
170	L	90.3	Very high	93.1	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.068	23%	0.232	C	C	.	.	S	Bend	trans	-53.7	147.9	164.6	-72.8	175	0	0	0	109.9	P140 K166 Y167 N174 R175 L178	P140-L170 HydrophobicContact CG-CD2 4.03Å; K166-L170 WeakPolarHBondContact O-CG 3.43Å; K166-L170 PolarHBondContact O-N 3.37Å; Y167-L170 HydrophobicContact CD2-CD1 4.45Å; L170-N174 HydrophobicContact CD2-CB 4.48Å; L170-R175 HydrophobicContact CB-CB 3.98Å; L170-L178 HydrophobicContact CD1-CD2 4.03Å
171	D	89.8	Confident	93	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	23%	0.234	S	C	.	.			trans	-62.4	158.1	168	66.5	89.1	0	0	0	110.7	W173 N174 R175	D171-W173 PolarHBondContact O-N 3.17Å; D171-W173 VanDerWaalsContact O-N 3.14Å; D171-W173 PolarHBondContact OD1-N 3.09Å; D171-W173 VanDerWaalsContact OD1-N 3.13Å; D171-N174 PolarHBondContact O-N 3.43Å; D171-N174 PolarHBondContact OD1-N 3.13Å; D171-N174 WeakPolarHBondContact OD2-CB 3.26Å; D171-N174 PolarHBondContact OD2-ND2 3.02Å; D171-R175 WeakPolarHBondContact O-CB 3.13Å; D171-R175 PolarHBondContact O-N 2.65Å
172	A	89.6	Confident	93	Very high	87 Å²	87	46.1 Å²	46.1	72%	0.719	23%	0.234	S	C	*	.	H	α-helix	trans	-58	-33.6	-171.6	0	0	0	0	0	113.4	D176	A172-D176 VanDerWaalsContact O-CB 3.29Å; A172-D176 WeakPolarHBondContact O-CB 3.43Å; A172-D176 PolarHBondContact O-N 2.85Å
173	W	90.2	Very high	92.9	Very high	158 Å²	158	47.6 Å²	47.6	60%	0.598	25%	0.248	S	C	*	.	H	α-helix	trans	-74.9	-51.5	-177.5	-178.5	86.1	0	0	0	111.6	D171 R175 D176 L177	D171-W173 PolarHBondContact O-N 3.17Å; D171-W173 VanDerWaalsContact O-N 3.14Å; D171-W173 PolarHBondContact OD1-N 3.09Å; D171-W173 VanDerWaalsContact OD1-N 3.13Å; W173-R175 PolarHBondContact O-N 3.41Å; W173-D176 PolarHBondContact O-N 2.89Å; W173-L177 HydrophobicContact CH2-CD2 3.78Å; W173-L177 HydrophobicContact CZ2-CD2 4.36Å; W173-L177 HydrophobicContact CZ3-CD2 3.99Å; W173-L177 WeakPolarHBondContact O-CB 3.43Å; W173-L177 PolarHBondContact O-N 3.47Å
174	N	90.8	Very high	92.8	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-35.8	176.8	-81.5	-43.2	0	0	0	111.6	M145 L170 D171 L178	M145-N174 HydrophobicContact CG-CB 4.01Å; M145-N174 WeakPolarHBondContact CG-OD1 3.28Å; L170-N174 HydrophobicContact CD2-CB 4.48Å; D171-N174 PolarHBondContact O-N 3.43Å; D171-N174 PolarHBondContact OD1-N 3.13Å; D171-N174 WeakPolarHBondContact OD2-CB 3.26Å; D171-N174 PolarHBondContact OD2-ND2 3.02Å; N174-L178 WeakPolarHBondContact O-CB 3.2Å; N174-L178 PolarHBondContact O-N 2.95Å
175	R	91.7	Very high	92.8	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.125	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-51	176.7	-178.8	64.7	-159.6	-162.3	7.1	112.1	Y167 L170 D171 W173 L177 L178 D179	Y167-R175 VanDerWaalsContact CE2-CZ 3.46Å; Y167-R175 PolarHBondContact O-NH1 2.81Å; Y167-R175 PolarHBondContact OH-NH2 3.48Å; L170-R175 HydrophobicContact CB-CB 3.98Å; D171-R175 WeakPolarHBondContact O-CB 3.13Å; D171-R175 PolarHBondContact O-N 2.65Å; W173-R175 PolarHBondContact O-N 3.41Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.07Å; R175-L178 PolarHBondContact O-N 3.49Å; R175-D179 IonicContact CZ-OD1 3.36Å; R175-D179 IonicContact CZ-OD2 3.29Å; R175-D179 VanDerWaalsContact CZ-OD2 3.22Å; R175-D179 IonicContact NE-OD1 3.41Å; R175-D179 PolarHBondContact NE-OD1 2.88Å; R175-D179 IonicContact NE-OD2 2.91Å; R175-D179 PolarHBondContact NE-OD2 3.49Å; R175-D179 VanDerWaalsContact NH2-CG 3.35Å; R175-D179 IonicContact NH2-OD1 3.55Å; R175-D179 PolarHBondContact NH2-OD1 3.23Å; R175-D179 IonicContact NH2-OD2 3.07Å; R175-D179 PolarHBondContact NH2-OD2 3.5Å; R175-D179 WeakPolarHBondContact O-CB 3.49Å; R175-D179 PolarHBondContact O-N 2.99Å
176	D	92.7	Very high	92.8	Very high	75 Å²	75	49.8 Å²	49.8	40%	0.401	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-41.1	178.2	176.9	65.5	0	0	0	111.8	A172 W173 L178 D179 K180	A172-D176 VanDerWaalsContact O-CB 3.29Å; A172-D176 WeakPolarHBondContact O-CB 3.43Å; A172-D176 PolarHBondContact O-N 2.85Å; W173-D176 PolarHBondContact O-N 2.89Å; D176-L178 PolarHBondContact O-N 2.93Å; D176-D179 PolarHBondContact O-N 3.32Å; D176-K180 VanDerWaalsContact O-CB 3.3Å; D176-K180 WeakPolarHBondContact O-CB 3.41Å; D176-K180 VanDerWaalsContact O-CG 3.28Å; D176-K180 WeakPolarHBondContact O-CG 3.39Å; D176-K180 PolarHBondContact O-N 2.97Å; D176-K180 WeakPolarHBondContact OD1-CE 3.1Å; D176-K180 IonicContact OD1-NZ 3.25Å; D176-K180 PolarHBondContact OD1-NZ 2.95Å; D176-K180 VanDerWaalsContact OD2-CE 3.26Å; D176-K180 WeakPolarHBondContact OD2-CE 3.31Å; D176-K180 IonicContact OD2-NZ 3.51Å; D176-K180 PolarHBondContact OD2-NZ 3.02Å
177	L	93.1	Very high	93	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.335	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-47.6	175.1	178.4	64.2	0	0	0	112	M145 L148 W173 R175 Y181	M145-L177 HydrophobicContact CB-CD2 4.39Å; L148-L177 HydrophobicContact CD1-CG 4.34Å; W173-L177 HydrophobicContact CH2-CD2 3.78Å; W173-L177 HydrophobicContact CZ2-CD2 4.36Å; W173-L177 HydrophobicContact CZ3-CD2 3.99Å; W173-L177 WeakPolarHBondContact O-CB 3.43Å; W173-L177 PolarHBondContact O-N 3.47Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-L177 PolarHBondContact O-N 3.07Å; L177-Y181 WeakPolarHBondContact O-CB 3.47Å; L177-Y181 PolarHBondContact O-N 3.32Å
178	L	94.2	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-44	-179	-172.3	61.4	0	0	0	112.1	M145 L148 I159 Y161 Y167 L170 N174 R175 D176 Y181 C182	M145-L178 HydrophobicContact CE-CB 4.28Å; M145-L178 HydrophobicContact CE-CD1 3.66Å; M145-L178 HydrophobicContact CE-CD2 4.17Å; M145-L178 HydrophobicContact CE-CG 4.27Å; L148-L178 HydrophobicContact CD1-CD1 3.98Å; I159-L178 HydrophobicContact CD1-CD1 3.47Å; I159-L178 VanDerWaalsContact CD1-CD1 3.47Å; I159-L178 HydrophobicContact CD1-CG 4.37Å; Y161-L178 HydrophobicContact CE2-CD2 4.16Å; Y161-L178 WeakPolarHBondContact OH-CD2 3.16Å; Y167-L178 HydrophobicContact CD2-CD2 3.83Å; Y167-L178 HydrophobicContact CE2-CD2 3.7Å; Y167-L178 HydrophobicContact CE2-CG 4.46Å; L170-L178 HydrophobicContact CD1-CD2 4.03Å; N174-L178 WeakPolarHBondContact O-CB 3.2Å; N174-L178 PolarHBondContact O-N 2.95Å; R175-L178 PolarHBondContact O-N 3.49Å; D176-L178 PolarHBondContact O-N 2.93Å; L178-Y181 WeakPolarHBondContact O-CB 3.43Å; L178-Y181 PolarHBondContact O-N 3.49Å; L178-C182 PolarHBondContact O-N 3.36Å; L178-C182 PolarHBondContact O-SG 2.79Å
179	D	95.3	Very high	93.6	Very high	36 Å²	36	45.5 Å²	45.5	19%	0.193	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-38.9	179.8	-75.1	-11.7	0	0	0	111.2	Y167 R175 D176 C182 A183 I297	Y167-D179 PolarHBondContact OH-OD1 2.94Å; R175-D179 IonicContact CZ-OD1 3.36Å; R175-D179 IonicContact CZ-OD2 3.29Å; R175-D179 VanDerWaalsContact CZ-OD2 3.22Å; R175-D179 IonicContact NE-OD1 3.41Å; R175-D179 PolarHBondContact NE-OD1 2.88Å; R175-D179 IonicContact NE-OD2 2.91Å; R175-D179 PolarHBondContact NE-OD2 3.49Å; R175-D179 VanDerWaalsContact NH2-CG 3.35Å; R175-D179 IonicContact NH2-OD1 3.55Å; R175-D179 PolarHBondContact NH2-OD1 3.23Å; R175-D179 IonicContact NH2-OD2 3.07Å; R175-D179 PolarHBondContact NH2-OD2 3.5Å; R175-D179 WeakPolarHBondContact O-CB 3.49Å; R175-D179 PolarHBondContact O-N 2.99Å; D176-D179 PolarHBondContact O-N 3.32Å; D179-C182 PolarHBondContact O-N 3.33Å; D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 2.88Å; D179-I297 HydrophobicContact CB-CD1 3.76Å; D179-I297 WeakPolarHBondContact OD1-CD1 3.15Å
180	K	95.1	Very high	93.9	Very high	120 Å²	120	41 Å²	41	52%	0.522	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-44.8	170.9	-78.7	172.2	177.6	164.6	0	112.1	D176 A183 E184	D176-K180 VanDerWaalsContact O-CB 3.3Å; D176-K180 WeakPolarHBondContact O-CB 3.41Å; D176-K180 VanDerWaalsContact O-CG 3.28Å; D176-K180 WeakPolarHBondContact O-CG 3.39Å; D176-K180 PolarHBondContact O-N 2.97Å; D176-K180 WeakPolarHBondContact OD1-CE 3.1Å; D176-K180 IonicContact OD1-NZ 3.25Å; D176-K180 PolarHBondContact OD1-NZ 2.95Å; D176-K180 VanDerWaalsContact OD2-CE 3.26Å; D176-K180 WeakPolarHBondContact OD2-CE 3.31Å; D176-K180 IonicContact OD2-NZ 3.51Å; D176-K180 PolarHBondContact OD2-NZ 3.02Å; K180-A183 PolarHBondContact O-N 3.27Å; K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.12Å; K180-E184 PolarHBondContact O-N 3.33Å
181	Y	95.9	Very high	94.3	Very high	8 Å²	8	40.4 Å²	40.4	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-47.9	175.7	175.1	-101.8	0	0	0	111.4	L148 T149 G154 R155 Y156 I159 L177 L178 A183 E184 Y185 V187	L148-Y181 HydrophobicContact CB-CD1 4.43Å; L148-Y181 HydrophobicContact CB-CD2 3.76Å; L148-Y181 HydrophobicContact CB-CE2 3.94Å; L148-Y181 HydrophobicContact CB-CG 4.02Å; L148-Y181 HydrophobicContact CD1-CD1 4.15Å; L148-Y181 HydrophobicContact CD1-CD2 4.41Å; L148-Y181 HydrophobicContact CD1-CG 3.86Å; L148-Y181 HydrophobicContact CG-CG 4.48Å; L148-Y181 VanDerWaalsContact O-CE2 3.26Å; L148-Y181 WeakPolarHBondContact O-CE2 3.5Å; T149-Y181 HydrophobicContact CG2-CD2 3.97Å; T149-Y181 HydrophobicContact CG2-CE2 3.95Å; G154-Y181 WeakPolarHBondContact CA-OH 3.36Å; R155-Y181 PolarHBondContact N-OH 2.9Å; Y156-Y181 PolarHBondContact N-OH 2.83Å; Y156-Y181 PolarHBondContact O-OH 2.9Å; I159-Y181 HydrophobicContact CD1-CD1 4.25Å; I159-Y181 HydrophobicContact CD1-CE1 4.32Å; L177-Y181 WeakPolarHBondContact O-CB 3.47Å; L177-Y181 PolarHBondContact O-N 3.32Å; L178-Y181 WeakPolarHBondContact O-CB 3.43Å; L178-Y181 PolarHBondContact O-N 3.49Å; Y181-A183 PolarHBondContact O-N 2.78Å; Y181-E184 PolarHBondContact O-N 3Å; Y181-Y185 AromaticContact CD2-CD2 3.52Å; Y181-Y185 HydrophobicContact CD2-CD2 3.52Å; Y181-Y185 AromaticContact CD2-CE2 3.94Å; Y181-Y185 HydrophobicContact CD2-CE2 3.94Å; Y181-Y185 HydrophobicContact CD2-CG 4.27Å; Y181-Y185 AromaticContact CE2-CD2 3.67Å; Y181-Y185 HydrophobicContact CE2-CD2 3.67Å; Y181-Y185 HydrophobicContact CE2-CE2 4.13Å; Y181-Y185 HydrophobicContact CE2-CG 4.01Å; Y181-Y185 HydrophobicContact CG-CD2 4.38Å; Y181-Y185 WeakPolarHBondContact O-CB 3.33Å; Y181-Y185 PolarHBondContact O-N 2.95Å; Y181-V187 HydrophobicContact CD1-CG2 4.39Å; Y181-V187 HydrophobicContact CE1-CB 4.11Å; Y181-V187 HydrophobicContact CE1-CG1 4.2Å; Y181-V187 HydrophobicContact CE1-CG2 3.68Å
182	C	96.2	Very high	94.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-46	177	-77.6	0	0	0	0	112.7	L178 D179 G186 V187 I297	L178-C182 PolarHBondContact O-N 3.36Å; L178-C182 PolarHBondContact O-SG 2.79Å; D179-C182 PolarHBondContact O-N 3.33Å; C182-G186 CarbonylContact O-C 3.5Å; C182-G186 WeakPolarHBondContact O-CA 3.34Å; C182-G186 PolarHBondContact O-N 2.97Å; C182-V187 WeakPolarHBondContact CB-O 3.42Å; C182-V187 PolarHBondContact O-N 3.39Å; C182-V187 PolarHBondContact SG-O 2.82Å; C182-I297 HydrophobicContact CB-CD1 3.76Å; C182-I297 HydrophobicContact CB-CG1 3.84Å; C182-I297 HydrophobicContact CB-CG2 4.06Å
183	A	94.1	Very high	95	Very high	43 Å²	43	33.7 Å²	33.7	36%	0.355	17%	0.167	S	C	.	.	H	α-helix	trans	-69.4	-40.5	-179.7	0	0	0	0	0	113.1	D179 K180 Y181	D179-A183 WeakPolarHBondContact O-CB 3.19Å; D179-A183 PolarHBondContact O-N 2.88Å; K180-A183 PolarHBondContact O-N 3.27Å; Y181-A183 PolarHBondContact O-N 2.78Å
184	E	93.2	Very high	95.1	Very high	110 Å²	110	29.4 Å²	29.4	51%	0.514	15%	0.152	S	C	.	.	H	α-helix	trans	-72.6	-42.3	-178.7	-170.7	-169.4	154.5	0	0	112.2	R103 K180 Y181	R103-E184 IonicContact CZ-OE1 3.8Å; R103-E184 IonicContact NH1-OE1 2.93Å; R103-E184 PolarHBondContact NH1-OE1 3.19Å; R103-E184 IonicContact NH2-OE1 3.62Å; R103-E184 PolarHBondContact NH2-OE1 3.16Å; K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.12Å; K180-E184 PolarHBondContact O-N 3.33Å; Y181-E184 PolarHBondContact O-N 3Å
185	Y	94.5	Very high	95.1	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-101.9	6	-173.5	-68.6	-88.2	0	0	0	113.8	N101 R103 T104 T149 N152 G154 Y181 V187	N101-Y185 WeakPolarHBondContact CA-O 3.3Å; R103-Y185 HydrophobicContact CB-CD1 3.83Å; R103-Y185 HydrophobicContact CB-CE1 4.13Å; T104-Y185 HydrophobicContact CG2-CD1 4.15Å; T104-Y185 HydrophobicContact CG2-CG 4.34Å; T149-Y185 HydrophobicContact CG2-CE2 3.74Å; N152-Y185 PolarHBondContact O-OH 2.85Å; G154-Y185 VanDerWaalsContact N-CE1 3.32Å; Y181-Y185 AromaticContact CD2-CD2 3.52Å; Y181-Y185 HydrophobicContact CD2-CD2 3.52Å; Y181-Y185 AromaticContact CD2-CE2 3.94Å; Y181-Y185 HydrophobicContact CD2-CE2 3.94Å; Y181-Y185 HydrophobicContact CD2-CG 4.27Å; Y181-Y185 AromaticContact CE2-CD2 3.67Å; Y181-Y185 HydrophobicContact CE2-CD2 3.67Å; Y181-Y185 HydrophobicContact CE2-CE2 4.13Å; Y181-Y185 HydrophobicContact CE2-CG 4.01Å; Y181-Y185 HydrophobicContact CG-CD2 4.38Å; Y181-Y185 WeakPolarHBondContact O-CB 3.33Å; Y181-Y185 PolarHBondContact O-N 2.95Å; Y185-V187 VanDerWaalsContact C-N 3.32Å; Y185-V187 PolarHBondContact O-N 3.48Å
186	G	94.3	Very high	94.9	Very high	23 Å²	23	31.6 Å²	31.6	24%	0.237	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	36.6	178.5	0	0	0	0	0	113.3	I99 C182	I99-G186 WeakPolarHBondContact CG2-O 3.46Å; C182-G186 CarbonylContact O-C 3.5Å; C182-G186 WeakPolarHBondContact O-CA 3.34Å; C182-G186 PolarHBondContact O-N 2.97Å
187	V	97.3	Very high	94.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.194	C	C	.	.			trans	-91.8	118.2	-175.9	178.5	0	0	0	0	110.3	T104 Y156 I159 Y181 C182 Y185	T104-V187 HydrophobicContact CG2-CG2 3.91Å; Y156-V187 VanDerWaalsContact O-CG2 3.24Å; Y156-V187 WeakPolarHBondContact O-CG2 3.46Å; I159-V187 HydrophobicContact CD1-CG1 3.83Å; I159-V187 HydrophobicContact CG1-CG1 3.99Å; Y181-V187 HydrophobicContact CD1-CG2 4.39Å; Y181-V187 HydrophobicContact CE1-CB 4.11Å; Y181-V187 HydrophobicContact CE1-CG1 4.2Å; Y181-V187 HydrophobicContact CE1-CG2 3.68Å; C182-V187 WeakPolarHBondContact CB-O 3.42Å; C182-V187 PolarHBondContact O-N 3.39Å; C182-V187 PolarHBondContact SG-O 2.82Å; Y185-V187 VanDerWaalsContact C-N 3.32Å; Y185-V187 PolarHBondContact O-N 3.48Å
188	G	97.4	Very high	94.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	165.5	175.6	0	0	0	0	0	113.9	I159 Q298	I159-G188 PolarHBondContact N-O 2.93Å; I159-G188 VanDerWaalsContact N-O 3.16Å; G188-Q298 VanDerWaalsContact CA-O 3.31Å; G188-Q298 WeakPolarHBondContact CA-O 3.42Å
189	V	98	Very high	93.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.1	180	-175.4	0	0	0	0	111.8	I159 Y161 I297 Q298 R299 V300	I159-V189 CarbonylContact O-C 3.24Å; I159-V189 VanDerWaalsContact O-CA 3.32Å; I159-V189 WeakPolarHBondContact O-CA 3.35Å; Y161-V189 HydrophobicContact CD2-CG1 4.01Å; Y161-V189 HydrophobicContact CE2-CG1 4.5Å; V189-I297 HydrophobicContact CG2-CG2 4.13Å; V189-Q298 PolarHBondContact N-O 3.16Å; V189-R299 HydrophobicContact CB-CG 4.15Å; V189-R299 CarbonylContact O-C 3.6Å; V189-R299 WeakPolarHBondContact O-CA 3.4Å; V189-R299 WeakPolarHBondContact O-CB 3.46Å; V189-V300 PolarHBondContact O-N 3.09Å
190	I	98.8	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132	165.7	-58.5	176.6	0	0	0	108.8	L158 I159 I160 Y161 F192 V300 F302 F315 A318 I319 L322	L158-I190 HydrophobicContact CD1-CD1 4.48Å; L158-I190 HydrophobicContact CD1-CG1 4.33Å; L158-I190 HydrophobicContact CD2-CD1 4.06Å; I159-I190 PolarHBondContact O-N 3.06Å; I160-I190 CarbonylContact C-O 3.58Å; I160-I190 WeakPolarHBondContact CA-O 3.49Å; I160-I190 HydrophobicContact CD1-CD1 4.35Å; I160-I190 HydrophobicContact CG1-CB 4.18Å; I160-I190 HydrophobicContact CG1-CD1 4.42Å; I160-I190 HydrophobicContact CG2-CB 4.24Å; I160-I190 HydrophobicContact CG2-CG2 4.42Å; Y161-I190 PolarHBondContact N-O 2.79Å; I190-F192 HydrophobicContact CG2-CD2 4.46Å; I190-F192 HydrophobicContact CG2-CE2 3.84Å; I190-F192 HydrophobicContact CG2-CZ 4.29Å; I190-V300 WeakPolarHBondContact CA-O 3.26Å; I190-F302 HydrophobicContact CG2-CD2 4.04Å; I190-F302 HydrophobicContact CG2-CE2 3.84Å; I190-F315 HydrophobicContact CD1-CD2 4.14Å; I190-F315 HydrophobicContact CD1-CE2 3.88Å; I190-F315 HydrophobicContact CG2-CD2 4.2Å; I190-F315 HydrophobicContact CG2-CE2 4.1Å; I190-A318 HydrophobicContact CD1-CB 3.86Å; I190-A318 HydrophobicContact CG1-CB 4.39Å; I190-I319 HydrophobicContact CD1-CG1 3.87Å; I190-L322 HydrophobicContact CD1-CD1 4.32Å; I190-L322 HydrophobicContact CG1-CD1 3.54Å
191	G	98.1	Very high	92.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.6	178.8	0	0	0	0	0	112.2	V300 L301 F302	G191-V300 PolarHBondContact N-O 3.29Å; G191-L301 CarbonylContact O-C 3.56Å; G191-L301 VanDerWaalsContact O-CA 3.31Å; G191-L301 WeakPolarHBondContact O-CA 3.27Å; G191-F302 PolarHBondContact O-N 3.19Å
192	F	98.1	Very high	92.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.3	172.1	-65	-95.7	0	0	0	110.4	L119 I123 I160 Y161 E162 N163 V164 I190 F302 N304 L306 F315	L119-F192 HydrophobicContact CD1-CD1 4.33Å; L119-F192 HydrophobicContact CD1-CE1 4.36Å; L119-F192 HydrophobicContact CD2-CB 3.7Å; L119-F192 HydrophobicContact CD2-CD1 4.12Å; L119-F192 HydrophobicContact CD2-CD2 4.15Å; L119-F192 HydrophobicContact CD2-CG 3.74Å; I123-F192 HydrophobicContact CD1-CD2 4.1Å; I123-F192 HydrophobicContact CD1-CE2 3.71Å; I123-F192 HydrophobicContact CD1-CZ 4.42Å; I123-F192 HydrophobicContact CG1-CE2 4.21Å; I123-F192 HydrophobicContact CG1-CZ 4.49Å; I160-F192 HydrophobicContact CG2-CE2 4.14Å; Y161-F192 PolarHBondContact O-N 2.89Å; Y161-F192 VanDerWaalsContact O-N 3.1Å; E162-F192 WeakPolarHBondContact O-CB 3.4Å; N163-F192 CarbonylContact C-O 3.54Å; N163-F192 WeakPolarHBondContact CA-O 3.4Å; V164-F192 PolarHBondContact N-O 3.15Å; I190-F192 HydrophobicContact CG2-CD2 4.46Å; I190-F192 HydrophobicContact CG2-CE2 3.84Å; I190-F192 HydrophobicContact CG2-CZ 4.29Å; F192-F302 HydrophobicContact CD1-CB 3.48Å; F192-F302 VanDerWaalsContact CD1-CB 3.48Å; F192-F302 HydrophobicContact CD1-CD2 4.23Å; F192-F302 AromaticContact CD1-CG 3.92Å; F192-F302 HydrophobicContact CD1-CG 3.92Å; F192-F302 HydrophobicContact CE1-CB 3.75Å; F192-F302 HydrophobicContact CE1-CD1 4.15Å; F192-F302 AromaticContact CE1-CD2 3.83Å; F192-F302 HydrophobicContact CE1-CD2 3.83Å; F192-F302 HydrophobicContact CE1-CE2 4.49Å; F192-F302 AromaticContact CE1-CG 3.64Å; F192-F302 HydrophobicContact CE1-CG 3.64Å; F192-F302 HydrophobicContact CG-CB 4.25Å; F192-F302 HydrophobicContact CZ-CD2 4.05Å; F192-F302 HydrophobicContact CZ-CE2 4.41Å; F192-F302 HydrophobicContact CZ-CG 4.33Å; F192-N304 WeakPolarHBondContact CD1-O 3.15Å; F192-L306 HydrophobicContact CE1-CD2 3.63Å; F192-L306 HydrophobicContact CE1-CG 3.8Å; F192-L306 HydrophobicContact CZ-CD1 4.21Å; F192-L306 HydrophobicContact CZ-CD2 3.85Å; F192-L306 HydrophobicContact CZ-CG 3.97Å; F192-F315 HydrophobicContact CE2-CD2 4.3Å; F192-F315 HydrophobicContact CE2-CE2 4.07Å; F192-F315 AromaticContact CZ-CD2 3.71Å; F192-F315 HydrophobicContact CZ-CD2 3.71Å; F192-F315 AromaticContact CZ-CE2 3.9Å; F192-F315 HydrophobicContact CZ-CE2 3.9Å; F192-F315 HydrophobicContact CZ-CG 4.49Å
193	F	96.1	Very high	92	Very high	12 Å²	12	51.5 Å²	51.5	5%	0.053	28%	0.282	C	S	.	.			trans	-134.2	110.9	170.1	-173.5	-83.5	0	0	0	108.7	V164 L165 L212 S214 T249 F302 G303 N304	V164-F193 HydrophobicContact CG1-CB 3.87Å; V164-F193 HydrophobicContact CG1-CD2 3.99Å; V164-F193 HydrophobicContact CG1-CG 4.41Å; L165-F193 HydrophobicContact CD1-CD2 4.4Å; L165-F193 HydrophobicContact CD1-CE2 3.72Å; L165-F193 HydrophobicContact CD2-CD2 4.1Å; L165-F193 HydrophobicContact CD2-CE2 3.75Å; L165-F193 HydrophobicContact CG-CD2 3.89Å; L165-F193 HydrophobicContact CG-CE2 3.63Å; F193-L212 HydrophobicContact CD2-CD1 4.02Å; F193-L212 HydrophobicContact CE1-CD1 4.43Å; F193-L212 HydrophobicContact CE2-CD1 3.84Å; F193-L212 HydrophobicContact CG-CD1 4.38Å; F193-L212 HydrophobicContact CZ-CD1 4.06Å; F193-S214 WeakPolarHBondContact CE1-OG 3.39Å; F193-T249 HydrophobicContact CD1-CG2 3.67Å; F193-T249 VanDerWaalsContact CD1-OG1 3.31Å; F193-T249 WeakPolarHBondContact CD1-OG1 3.32Å; F193-T249 HydrophobicContact CE1-CG2 3.94Å; F193-T249 WeakPolarHBondContact CE1-OG1 3.45Å; F193-F302 PolarHBondContact N-O 3.02Å; F193-G303 CarbonylContact O-C 3.6Å; F193-G303 WeakPolarHBondContact O-CA 3.33Å; F193-N304 PolarHBondContact O-N 3.31Å
194	K	92.4	Very high	92	Very high	69 Å²	69	54.8 Å²	54.8	30%	0.3	29%	0.29	S	S	.	.			trans	-110	132.7	172.9	178.7	178.5	178.7	179.8	0	109	D247 N305	K194-D247 WeakPolarHBondContact CE-OD2 3.3Å; K194-D247 IonicContact NZ-OD2 2.7Å; K194-D247 PolarHBondContact NZ-OD2 2.87Å; K194-N305 WeakPolarHBondContact CB-OD1 3.2Å; K194-N305 HydrophobicContact CD-CB 4.49Å; K194-N305 WeakPolarHBondContact CD-ND2 3.26Å; K194-N305 WeakPolarHBondContact CD-OD1 3.47Å
195	A	90.5	Very high	92	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	27%	0.267	C	S	.	.			trans	-66	138.6	177.3	0	0	0	0	0	110.5	D247	A195-D247 HydrophobicContact CB-CB 4.43Å; A195-D247 VanDerWaalsContact CB-O 3.31Å; A195-D247 WeakPolarHBondContact CB-O 3.34Å; A195-D247 PolarHBondContact N-O 3.16Å
196	T	88.6	Confident	91.9	Very high	80 Å²	80	55.8 Å²	55.8	49%	0.491	29%	0.293	S	S	.	.			trans	-120.9	165.6	173.5	64.7	0	0	0	0	108.6	N198 S199 H215	T196-N198 PolarHBondContact O-N 3.15Å; T196-S199 PolarHBondContact N-OG 3.49Å; T196-S199 WeakPolarHBondContact O-CB 3.49Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 3.48Å; T196-S199 PolarHBondContact OG1-OG 3.39Å; T196-S199 VanDerWaalsContact OG1-OG 3.08Å; T196-H215 PolarHBondContact O-CE1 3.44Å; T196-H215 PolarHBondContact O-NE2 2.63Å
197	E	83.9	Confident	91.7	Very high	193 Å²	193	57.7 Å²	57.7	90%	0.902	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.7	179.5	-64.5	179.8	178	0	0	113.6
198	N	84.1	Confident	91.6	Very high	153 Å²	153	58.2 Å²	58.2	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.2	179.4	-63	-39.4	0	0	0	114.3	T196	T196-N198 PolarHBondContact O-N 3.15Å
199	S	85.6	Confident	91.4	Very high	21 Å²	21	59.6 Å²	59.6	15%	0.147	32%	0.324	C	S	.	.	S	Bend	trans	-71.7	132.4	179.9	-63.7	0	0	0	0	110.5	T196 H215	T196-S199 PolarHBondContact N-OG 3.49Å; T196-S199 WeakPolarHBondContact O-CB 3.49Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 3.48Å; T196-S199 PolarHBondContact OG1-OG 3.39Å; T196-S199 VanDerWaalsContact OG1-OG 3.08Å; S199-H215 PolarHBondContact O-NE2 2.96Å
200	L	83.6	Confident	91.3	Very high	124 Å²	124	59.6 Å²	59.6	65%	0.649	32%	0.324	S	S	*	.			trans	-62.9	144	173.6	-62.2	173.4	0	0	0	110.6	S202 A203	L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.45Å; L200-A203 HydrophobicContact CB-CB 4.26Å; L200-A203 HydrophobicContact CD1-CB 4.03Å
201	H	83.2	Confident	91.1	Very high	140 Å²	140	64 Å²	64	65%	0.648	34%	0.343	S	S	*	.	S	Bend	trans	-62.7	-35.7	176.8	-77.7	-71.8	0	0	0	113.3	H213 S214 H215	H201-H213 CarbonylContact O-C 3.57Å; H201-H213 VanDerWaalsContact O-CA 3.28Å; H201-H213 WeakPolarHBondContact O-CA 3.46Å; H201-S214 PolarHBondContact O-N 3.21Å; H201-H215 AromaticContact CE1-CD2 3.97Å; H201-H215 AromaticContact ND1-CD2 3.86Å
202	S	89.6	Confident	90.9	Very high	61 Å²	61	64.2 Å²	64.2	43%	0.427	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	130.1	173.8	-176.8	0	0	0	0	109.9	L200 L212 H213	L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.45Å; S202-L212 VanDerWaalsContact CA-O 3.26Å; S202-L212 WeakPolarHBondContact CA-O 3.3Å; S202-H213 PolarHBondContact OG-CE1 3.28Å; S202-H213 PolarHBondContact OG-ND1 2.89Å; S202-H213 PolarHBondContact OG-NE2 3.31Å
203	A	91.8	Very high	90.7	Very high	32 Å²	32	66 Å²	66	26%	0.264	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	145	176.5	0	0	0	0	0	111.1	L200 L212	L200-A203 HydrophobicContact CB-CB 4.26Å; L200-A203 HydrophobicContact CD1-CB 4.03Å; A203-L212 PolarHBondContact N-O 3.29Å; A203-L212 PolarHBondContact O-N 2.93Å
204	Q	93.4	Very high	90.6	Very high	111 Å²	111	65.6 Å²	65.6	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.9	167.7	-167.9	177.5	1.2	0	0	109.6	K206 F208 F211	Q204-K206 PolarHBondContact O-N 3.06Å; Q204-F208 WeakPolarHBondContact CG-O 3.48Å; Q204-F208 PolarHBondContact NE2-O 3.18Å; Q204-F211 HydrophobicContact CB-CD1 3.9Å; Q204-F211 HydrophobicContact CB-CE1 3.68Å; Q204-F211 HydrophobicContact CB-CZ 4.19Å; Q204-F211 HydrophobicContact CG-CD1 4.35Å; Q204-F211 HydrophobicContact CG-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CE2 4.39Å; Q204-F211 HydrophobicContact CG-CZ 4.09Å
205	L	93.1	Very high	90.5	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.037	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-65.8	118.4	172.2	-174.4	69.4	0	0	0	108.7	V164 L165 V168 G207 F208 L210 L212	V164-L205 HydrophobicContact CG1-CD1 4.47Å; L165-L205 HydrophobicContact CD2-CD1 4.25Å; V168-L205 HydrophobicContact CG1-CD1 3.85Å; V168-L205 HydrophobicContact CG1-CD2 4.27Å; V168-L205 HydrophobicContact CG1-CG 4.02Å; V168-L205 HydrophobicContact CG2-CD1 4.04Å; L205-G207 PolarHBondContact O-N 3.31Å; L205-F208 HydrophobicContact CB-CB 4.3Å; L205-F208 HydrophobicContact CD2-CB 4.21Å; L205-F208 HydrophobicContact CD2-CD2 3.75Å; L205-F208 HydrophobicContact CD2-CE2 4.48Å; L205-F208 HydrophobicContact CD2-CG 4.09Å; L205-F208 HydrophobicContact CG-CB 4.4Å; L205-F208 HydrophobicContact CG-CD2 3.91Å; L205-F208 HydrophobicContact CG-CG 4.49Å; L205-F208 PolarHBondContact O-N 3.32Å; L205-L210 HydrophobicContact CB-CB 4.44Å; L205-L210 HydrophobicContact CD2-CD2 4.22Å; L205-L210 PolarHBondContact N-O 3.09Å; L205-L212 HydrophobicContact CB-CD1 4.4Å; L205-L212 HydrophobicContact CD1-CD1 4.09Å
206	K	92.3	Very high	90.5	Very high	134 Å²	134	65.3 Å²	65.3	58%	0.583	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	122.9	-173.8	-176.6	-175	176.4	-169.3	0	111.6	V168 Q204 F208	V168-K206 HydrophobicContact CG2-CB 4.44Å; Q204-K206 PolarHBondContact O-N 3.06Å; K206-F208 VanDerWaalsContact C-N 3.34Å; K206-F208 VanDerWaalsContact O-CD2 3.24Å; K206-F208 WeakPolarHBondContact O-CD2 3.18Å
207	G	90.1	Very high	90.6	Very high	64 Å²	64	61.8 Å²	61.8	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	0.7	179	0	0	0	0	0	115.1	L205	L205-G207 PolarHBondContact O-N 3.31Å
208	F	94.2	Very high	91	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.053	29%	0.287	C	S	.	.	S	Bend	trans	-126.3	145.8	-176.7	-65.2	-82.7	0	0	0	112.1	Y167 V168 Q204 L205 K206 L210 Y258	Y167-F208 HydrophobicContact CE1-CZ 4.19Å; V168-F208 HydrophobicContact CG1-CD2 4.12Å; V168-F208 HydrophobicContact CG1-CE2 3.69Å; Q204-F208 WeakPolarHBondContact CG-O 3.48Å; Q204-F208 PolarHBondContact NE2-O 3.18Å; L205-F208 HydrophobicContact CB-CB 4.3Å; L205-F208 HydrophobicContact CD2-CB 4.21Å; L205-F208 HydrophobicContact CD2-CD2 3.75Å; L205-F208 HydrophobicContact CD2-CE2 4.48Å; L205-F208 HydrophobicContact CD2-CG 4.09Å; L205-F208 HydrophobicContact CG-CB 4.4Å; L205-F208 HydrophobicContact CG-CD2 3.91Å; L205-F208 HydrophobicContact CG-CG 4.49Å; L205-F208 PolarHBondContact O-N 3.32Å; K206-F208 VanDerWaalsContact C-N 3.34Å; K206-F208 VanDerWaalsContact O-CD2 3.24Å; K206-F208 WeakPolarHBondContact O-CD2 3.18Å; F208-L210 HydrophobicContact CB-CB 4.22Å; F208-L210 PolarHBondContact O-N 2.93Å; F208-Y258 WeakPolarHBondContact CD1-OH 3.22Å
209	P	93.8	Very high	91.3	Very high	30 Å²	30	50 Å²	50	20%	0.195	27%	0.266	C	S	.	.	S	Bend	trans	-79.1	52.3	172.1	31.5	-29.6	0	0	0	110.8	S253 H255 Y258	P209-S253 WeakPolarHBondContact O-CB 3.27Å; P209-S253 PolarHBondContact O-OG 3Å; P209-H255 HydrophobicContact CB-CB 4.08Å; P209-H255 HydrophobicContact CG-CB 3.86Å; P209-Y258 HydrophobicContact CG-CE2 4.07Å
210	L	95.3	Very high	91.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.263	C	S	.	.			trans	-135.7	126	-174.5	-170.1	66.8	0	0	0	110	L205 F208 F251 Y258 L301	L205-L210 HydrophobicContact CB-CB 4.44Å; L205-L210 HydrophobicContact CD2-CD2 4.22Å; L205-L210 PolarHBondContact N-O 3.09Å; F208-L210 HydrophobicContact CB-CB 4.22Å; F208-L210 PolarHBondContact O-N 2.93Å; L210-F251 HydrophobicContact CD1-CB 4.04Å; L210-F251 HydrophobicContact CD1-CD1 4.49Å; L210-F251 HydrophobicContact CD2-CD1 3.82Å; L210-F251 HydrophobicContact CD2-CE1 4.39Å; L210-F251 HydrophobicContact CG-CD1 4.22Å; L210-Y258 HydrophobicContact CB-CE2 3.93Å; L210-Y258 HydrophobicContact CD1-CD1 4.09Å; L210-Y258 HydrophobicContact CD1-CD2 3.95Å; L210-Y258 HydrophobicContact CD1-CE1 4.23Å; L210-Y258 HydrophobicContact CD1-CE2 4.05Å; L210-Y258 HydrophobicContact CD1-CG 3.95Å; L210-Y258 HydrophobicContact CD2-CD1 4.43Å; L210-Y258 HydrophobicContact CD2-CE1 3.95Å; L210-Y258 HydrophobicContact CG-CE1 4.48Å; L210-Y258 HydrophobicContact CG-CE2 4.46Å; L210-L301 HydrophobicContact CD2-CD1 3.49Å; L210-L301 VanDerWaalsContact CD2-CD1 3.49Å
211	F	95.1	Very high	91.6	Very high	92 Å²	92	44 Å²	44	40%	0.404	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.7	177.3	-69.1	-94.2	0	0	0	110.5	Q204 F251 L252	Q204-F211 HydrophobicContact CB-CD1 3.9Å; Q204-F211 HydrophobicContact CB-CE1 3.68Å; Q204-F211 HydrophobicContact CB-CZ 4.19Å; Q204-F211 HydrophobicContact CG-CD1 4.35Å; Q204-F211 HydrophobicContact CG-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CE2 4.39Å; Q204-F211 HydrophobicContact CG-CZ 4.09Å; F211-F251 WeakPolarHBondContact O-CA 3.35Å; F211-L252 HydrophobicContact CB-CB 4.34Å; F211-L252 PolarHBondContact N-O 3.44Å; F211-L252 PolarHBondContact O-N 2.82Å
212	L	94.7	Very high	92	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129	175.2	-58.4	169.1	0	0	0	108.2	F193 S202 A203 L205 T249 F251	F193-L212 HydrophobicContact CD2-CD1 4.02Å; F193-L212 HydrophobicContact CE1-CD1 4.43Å; F193-L212 HydrophobicContact CE2-CD1 3.84Å; F193-L212 HydrophobicContact CG-CD1 4.38Å; F193-L212 HydrophobicContact CZ-CD1 4.06Å; S202-L212 VanDerWaalsContact CA-O 3.26Å; S202-L212 WeakPolarHBondContact CA-O 3.3Å; A203-L212 PolarHBondContact N-O 3.29Å; A203-L212 PolarHBondContact O-N 2.93Å; L205-L212 HydrophobicContact CB-CD1 4.4Å; L205-L212 HydrophobicContact CD1-CD1 4.09Å; L212-T249 HydrophobicContact CB-CG2 3.92Å; L212-T249 HydrophobicContact CD2-CG2 3.91Å; L212-T249 HydrophobicContact CG-CG2 4.5Å; L212-F251 HydrophobicContact CD2-CD1 3.43Å; L212-F251 VanDerWaalsContact CD2-CD1 3.43Å; L212-F251 HydrophobicContact CD2-CE1 3.27Å; L212-F251 HydrophobicContact CD2-CZ 4.4Å
213	H	93.7	Very high	92.2	Very high	39 Å²	39	40 Å²	40	18%	0.181	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	167.9	-68.7	-105.8	0	0	0	109.5	H201 S202 L216 T249 I250	H201-H213 CarbonylContact O-C 3.57Å; H201-H213 VanDerWaalsContact O-CA 3.28Å; H201-H213 WeakPolarHBondContact O-CA 3.46Å; S202-H213 PolarHBondContact OG-CE1 3.28Å; S202-H213 PolarHBondContact OG-ND1 2.89Å; S202-H213 PolarHBondContact OG-NE2 3.31Å; H213-L216 HydrophobicContact CB-CD1 4.4Å; H213-T249 CarbonylContact O-C 3.52Å; H213-T249 WeakPolarHBondContact O-CA 3.41Å; H213-I250 HydrophobicContact CB-CD1 4.12Å; H213-I250 HydrophobicContact CB-CG1 3.67Å; H213-I250 PolarHBondContact N-O 3.29Å; H213-I250 PolarHBondContact O-N 3.46Å
214	S	93.3	Very high	92.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	169.3	-164.9	-65.3	0	0	0	0	112.9	F193 H201 W248 T249	F193-S214 WeakPolarHBondContact CE1-OG 3.39Å; H201-S214 PolarHBondContact O-N 3.21Å; S214-W248 CarbonylContact C-O 3.28Å; S214-T249 PolarHBondContact OG-OG1 2.82Å
215	H	90.6	Very high	92.1	Very high	58 Å²	58	37.8 Å²	37.8	27%	0.269	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65.1	42.2	-179	-56.2	-71.5	0	0	0	113.2	T196 S199 H201 D246 W248	T196-H215 PolarHBondContact O-CE1 3.44Å; T196-H215 PolarHBondContact O-NE2 2.63Å; S199-H215 PolarHBondContact O-NE2 2.96Å; H201-H215 AromaticContact CE1-CD2 3.97Å; H201-H215 AromaticContact ND1-CD2 3.86Å; H215-D246 CarbonylContact C-O 3.49Å; H215-D246 WeakPolarHBondContact CA-O 3.29Å; H215-W248 PolarHBondContact N-O 3.26Å; H215-W248 VanDerWaalsContact N-O 3.13Å
216	L	90.3	Very high	91.8	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136	-177.6	-56.2	-178.4	0	0	0	111.8	H213 L218 D246 W248 I250 D270 L272	H213-L216 HydrophobicContact CB-CD1 4.4Å; L216-L218 HydrophobicContact CB-CD2 4.01Å; L216-L218 HydrophobicContact CB-CG 4.24Å; L216-D246 CarbonylContact C-O 3.08Å; L216-D246 PolarHBondContact N-O 3.31Å; L216-D246 CarbonylContact O-C 3.46Å; L216-D246 VanDerWaalsContact O-C 3.29Å; L216-D246 WeakPolarHBondContact O-CA 3.42Å; L216-W248 PolarHBondContact N-O 2.8Å; L216-W248 VanDerWaalsContact N-O 3.16Å; L216-W248 WeakPolarHBondContact O-CB 3.37Å; L216-W248 PolarHBondContact O-N 3.46Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 HydrophobicContact CD1-CD1 3.72Å; L216-I250 HydrophobicContact CD1-CG1 3.65Å; L216-I250 HydrophobicContact CD1-CG2 3.96Å; L216-D270 WeakPolarHBondContact CD2-OD2 3.32Å; L216-L272 HydrophobicContact CD1-CD1 3.66Å; L216-L272 HydrophobicContact CD2-CD1 3.62Å; L216-L272 HydrophobicContact CG-CD1 4.31Å
217	G	90.7	Very high	91.7	Very high	6 Å²	6	35.8 Å²	35.8	6%	0.062	20%	0.199	C	C	.	.			trans	-87.1	118.4	165.1	0	0	0	0	0	109.6	D246 K267 D270	G217-D246 WeakPolarHBondContact CA-OD1 3.34Å; G217-K267 WeakPolarHBondContact O-CB 3.3Å; G217-K267 WeakPolarHBondContact O-CG 3.35Å; G217-K267 PolarHBondContact O-N 2.98Å; G217-D270 PolarHBondContact N-OD2 3.27Å
218	L	91.8	Very high	91.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	157.3	-174.9	-59.7	-180	0	0	0	112.3	L216 L243 W248 I250 A264 T265 K267 T286	L216-L218 HydrophobicContact CB-CD2 4.01Å; L216-L218 HydrophobicContact CB-CG 4.24Å; L218-L243 HydrophobicContact CB-CB 4.37Å; L218-L243 HydrophobicContact CB-CD1 3.32Å; L218-L243 HydrophobicContact CB-CG 4.45Å; L218-L243 PolarHBondContact O-N 3.32Å; L218-W248 HydrophobicContact CD1-CB 3.55Å; L218-W248 HydrophobicContact CD1-CD2 4.12Å; L218-W248 HydrophobicContact CD1-CE3 4.1Å; L218-W248 HydrophobicContact CD1-CG 3.89Å; L218-W248 HydrophobicContact CG-CB 3.98Å; L218-W248 HydrophobicContact CG-CG 4.27Å; L218-I250 HydrophobicContact CD1-CG2 3.98Å; L218-I250 HydrophobicContact CD2-CG2 4.42Å; L218-A264 HydrophobicContact CB-CB 4.13Å; L218-A264 HydrophobicContact CD1-CB 4.06Å; L218-T265 CarbonylContact C-O 3.56Å; L218-T265 WeakPolarHBondContact CA-O 3.29Å; L218-K267 VanDerWaalsContact O-CE 3.31Å; L218-K267 WeakPolarHBondContact O-CE 3.08Å; L218-T286 HydrophobicContact CD1-CG2 3.41Å; L218-T286 VanDerWaalsContact CD1-CG2 3.41Å
219	R	91.1	Very high	91.7	Very high	97 Å²	97	35.4 Å²	35.4	37%	0.366	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.8	174.6	63.2	177.1	-69.9	160.6	4.5	111.8	G241 T265 K267	R219-G241 CarbonylContact C-O 3.29Å; R219-G241 WeakPolarHBondContact CA-O 3.46Å; R219-G241 VanDerWaalsContact CB-O 3.31Å; R219-G241 WeakPolarHBondContact CB-O 3.39Å; R219-T265 WeakPolarHBondContact CG-OG1 3.28Å; R219-T265 PolarHBondContact N-O 2.99Å; R219-T265 PolarHBondContact O-N 3.49Å; R219-T265 VanDerWaalsContact O-O 3.07Å; R219-T265 PolarHBondContact O-OG1 3.4Å; R219-K267 HydrophobicContact CB-CG 4.43Å; R219-K267 HydrophobicContact CG-CG 4.4Å
220	D	88.8	Confident	91.7	Very high	18 Å²	18	35.5 Å²	35.5	10%	0.096	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	96.1	171.4	-54.5	-33.2	0	0	0	113.1	V238 E239 Q240 G241	D220-V238 HydrophobicContact CB-CG1 3.91Å; D220-E239 CarbonylContact C-O 3.51Å; D220-E239 WeakPolarHBondContact CA-O 3.37Å; D220-Q240 WeakPolarHBondContact OD1-CA 3.35Å; D220-G241 PolarHBondContact N-O 2.91Å; D220-G241 PolarHBondContact OD1-N 3.44Å
221	Y	87.7	Confident	91.7	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141	-165.5	-151.5	-103.5	0	0	0	113.1	V238 E239 L243 L262 L263 A264 T286 Y308 L310 H311	Y221-V238 CarbonylContact O-C 2.97Å; Y221-V238 WeakPolarHBondContact O-CA 3.4Å; Y221-E239 PolarHBondContact N-O 3.35Å; Y221-E239 PolarHBondContact O-N 3.45Å; Y221-L243 HydrophobicContact CD2-CD1 3.82Å; Y221-L243 HydrophobicContact CD2-CD2 3.83Å; Y221-L243 HydrophobicContact CD2-CG 4.38Å; Y221-L243 HydrophobicContact CE2-CD1 4.29Å; Y221-L243 HydrophobicContact CE2-CD2 3.95Å; Y221-L262 HydrophobicContact CD1-CD2 4.41Å; Y221-L262 HydrophobicContact CE1-CB 3.44Å; Y221-L262 VanDerWaalsContact CE1-CB 3.44Å; Y221-L262 HydrophobicContact CE1-CD1 3.6Å; Y221-L262 HydrophobicContact CE1-CD2 3.63Å; Y221-L262 HydrophobicContact CE1-CG 3.7Å; Y221-L262 HydrophobicContact CE2-CB 4.44Å; Y221-L262 WeakPolarHBondContact OH-CB 3.44Å; Y221-L262 WeakPolarHBondContact OH-CD1 3.3Å; Y221-L263 CarbonylContact C-O 3.5Å; Y221-L263 WeakPolarHBondContact CA-O 3.32Å; Y221-L263 WeakPolarHBondContact CD2-O 2.98Å; Y221-A264 HydrophobicContact CD2-CB 3.66Å; Y221-A264 HydrophobicContact CE2-CB 3.98Å; Y221-T286 HydrophobicContact CE2-CG2 4.17Å; Y221-T286 WeakPolarHBondContact CE2-OG1 3.38Å; Y221-T286 PolarHBondContact OH-OG1 3.4Å; Y221-Y308 HydrophobicContact CD1-CE1 4.1Å; Y221-Y308 HydrophobicContact CD2-CE1 4.41Å; Y221-Y308 HydrophobicContact CE1-CE1 4.02Å; Y221-Y308 HydrophobicContact CE2-CE1 4.4Å; Y221-Y308 HydrophobicContact CG-CE1 4.21Å; Y221-L310 HydrophobicContact CD1-CD1 3.41Å; Y221-L310 VanDerWaalsContact CD1-CD1 3.41Å; Y221-L310 HydrophobicContact CE1-CB 4.23Å; Y221-L310 HydrophobicContact CE1-CD1 3.84Å; Y221-L310 HydrophobicContact CG-CD1 4.36Å; Y221-H311 PolarHBondContact OH-NE2 3.05Å
222	R	90.8	Very high	91.8	Very high	113 Å²	113	34.2 Å²	34.2	43%	0.426	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	-177	-173.1	176.2	-179.7	176.2	0.7	111.6	V238 L263	R222-V238 HydrophobicContact CB-CG2 4.39Å; R222-V238 HydrophobicContact CG-CG2 4.49Å; R222-L263 HydrophobicContact CB-CB 4.35Å; R222-L263 PolarHBondContact N-O 2.99Å; R222-L263 PolarHBondContact O-N 3.04Å
223	I	93.7	Very high	91.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.1	171.7	-56.9	162.2	0	0	0	108.2	P225 L230 T233 P235 L262 L310 W574	I223-P225 VanDerWaalsContact O-CD 3.26Å; I223-P225 WeakPolarHBondContact O-CD 3.17Å; I223-L230 HydrophobicContact CG2-CD1 3.66Å; I223-L230 HydrophobicContact CG2-CD2 4.03Å; I223-T233 HydrophobicContact CD1-CG2 3.73Å; I223-T233 HydrophobicContact CG1-CG2 4.45Å; I223-T233 HydrophobicContact CG2-CG2 4.14Å; I223-P235 HydrophobicContact CB-CB 4.35Å; I223-P235 HydrophobicContact CG2-CB 4.07Å; I223-L262 HydrophobicContact CB-CD2 4.21Å; I223-L262 HydrophobicContact CG1-CD2 3.72Å; I223-L262 HydrophobicContact CG2-CD2 4.29Å; I223-L310 HydrophobicContact CD1-CD2 3.95Å; I223-L310 HydrophobicContact CG1-CD2 4.43Å; I223-W574 HydrophobicContact CD1-CE3 3.79Å; I223-W574 HydrophobicContact CD1-CZ3 3.65Å
224	S	92.7	Very high	91.9	Very high	9 Å²	9	36 Å²	36	6%	0.063	19%	0.185	C	C	.	.			trans	-74.1	114.1	177.7	-176.6	0	0	0	0	110.6	S226 A227 L230 P260 V261	S224-S226 PolarHBondContact O-N 3.23Å; S224-S226 VanDerWaalsContact O-N 3.16Å; S224-S226 PolarHBondContact OG-OG 2.94Å; S224-A227 WeakPolarHBondContact O-CB 3.22Å; S224-A227 PolarHBondContact O-N 2.96Å; S224-L230 WeakPolarHBondContact O-CD1 3.39Å; S224-P260 WeakPolarHBondContact CB-O 3.29Å; S224-P260 PolarHBondContact OG-O 2.87Å; S224-P260 VanDerWaalsContact OG-O 3.1Å; S224-V261 WeakPolarHBondContact CB-O 3.42Å; S224-V261 PolarHBondContact N-O 3.36Å
225	P	90.1	Very high	91.6	Very high	88 Å²	88	38.3 Å²	38.3	57%	0.571	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.2	-176.5	-19.7	32.6	0	0	0	114.2	I223 P235	I223-P225 VanDerWaalsContact O-CD 3.26Å; I223-P225 WeakPolarHBondContact O-CD 3.17Å; P225-P235 HydrophobicContact CB-CB 4.03Å; P225-P235 HydrophobicContact CB-CG 4.11Å; P225-P235 HydrophobicContact CG-CB 4.07Å
226	S	86.8	Confident	90.9	Very high	92 Å²	92	37.9 Å²	37.9	64%	0.643	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.7	179.7	59.2	0	0	0	0	113.6	S224 P228	S224-S226 PolarHBondContact O-N 3.23Å; S224-S226 VanDerWaalsContact O-N 3.16Å; S224-S226 PolarHBondContact OG-OG 2.94Å; S226-P228 WeakPolarHBondContact O-CD 3.3Å
227	A	91.6	Very high	89.9	Confident	6 Å²	6	43.5 Å²	43.5	5%	0.05	23%	0.225	C	C	.	.			trans	-67.8	116.8	-176.9	0	0	0	0	0	110.6	S224 L229 L230 V261	S224-A227 WeakPolarHBondContact O-CB 3.22Å; S224-A227 PolarHBondContact O-N 2.96Å; A227-L229 PolarHBondContact O-N 3.11Å; A227-L230 HydrophobicContact CB-CD1 4.03Å; A227-L230 HydrophobicContact CB-CG 3.93Å; A227-L230 WeakPolarHBondContact O-CG 3.46Å; A227-L230 PolarHBondContact O-N 3.19Å; A227-V261 HydrophobicContact CB-CB 4.4Å; A227-V261 HydrophobicContact CB-CG1 4.22Å; A227-V261 HydrophobicContact CB-CG2 4.32Å
228	P	88.8	Confident	89.3	Confident	65 Å²	65	46.3 Å²	46.3	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.4	-171.6	27.9	-34.8	0	0	0	113.6	S226 L230 E259 L291 Y321	S226-P228 WeakPolarHBondContact O-CD 3.3Å; P228-L230 VanDerWaalsContact C-N 3.3Å; P228-L230 PolarHBondContact O-N 3.06Å; P228-E259 WeakPolarHBondContact CD-OE2 3.24Å; P228-L291 HydrophobicContact CG-CD2 4.45Å; P228-Y321 HydrophobicContact CB-CE2 4.28Å
229	L	94.3	Very high	88.9	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.5	176.1	73.4	82.2	0	0	0	114.3	A227 Y231 V261 Q289 V300 V314 D317 Y321	A227-L229 PolarHBondContact O-N 3.11Å; L229-Y231 PolarHBondContact O-N 3.32Å; L229-V261 HydrophobicContact CD1-CG1 3.98Å; L229-V261 HydrophobicContact CD2-CB 4.39Å; L229-V261 HydrophobicContact CD2-CG1 3.95Å; L229-V261 HydrophobicContact CD2-CG2 3.53Å; L229-V261 HydrophobicContact CG-CG1 4.14Å; L229-V261 HydrophobicContact CG-CG2 4.31Å; L229-Q289 HydrophobicContact CD2-CB 4.21Å; L229-Q289 HydrophobicContact CD2-CG 4.46Å; L229-V300 HydrophobicContact CD2-CG1 4.22Å; L229-V300 HydrophobicContact CD2-CG2 3.84Å; L229-V314 HydrophobicContact CD1-CG1 4.11Å; L229-D317 HydrophobicContact CD1-CB 3.69Å; L229-Y321 VanDerWaalsContact CA-CD2 3.48Å; L229-Y321 HydrophobicContact CB-CD1 4.08Å; L229-Y321 HydrophobicContact CB-CD2 3.88Å; L229-Y321 HydrophobicContact CB-CG 3.6Å
230	L	94.9	Very high	88.6	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.168	27%	0.268	C	S	.	.			trans	-67.3	118.1	-173.9	-57.1	177.8	0	0	0	110.3	I223 S224 A227 P228 T233 V261	I223-L230 HydrophobicContact CG2-CD1 3.66Å; I223-L230 HydrophobicContact CG2-CD2 4.03Å; S224-L230 WeakPolarHBondContact O-CD1 3.39Å; A227-L230 HydrophobicContact CB-CD1 4.03Å; A227-L230 HydrophobicContact CB-CG 3.93Å; A227-L230 WeakPolarHBondContact O-CG 3.46Å; A227-L230 PolarHBondContact O-N 3.19Å; P228-L230 VanDerWaalsContact C-N 3.3Å; P228-L230 PolarHBondContact O-N 3.06Å; L230-T233 HydrophobicContact CD2-CG2 3.96Å; L230-V261 HydrophobicContact CD2-CG1 4.26Å
231	Y	95.4	Very high	88.4	Confident	66 Å²	66	52.1 Å²	52.1	26%	0.259	28%	0.281	S	S	.	.	S	Bend	trans	-128.3	-58.1	179.5	174.1	-116.9	0	0	0	110.9	L229 D317 C328 L331 N576	L229-Y231 PolarHBondContact O-N 3.32Å; Y231-D317 PolarHBondContact N-OD1 3.43Å; Y231-D317 PolarHBondContact N-OD2 3.1Å; Y231-D317 VanDerWaalsContact N-OD2 3.08Å; Y231-C328 VanDerWaalsContact CD1-SG 3.57Å; Y231-C328 WeakPolarHBondContact CE1-SG 3.39Å; Y231-L331 HydrophobicContact CD1-CD2 4.15Å; Y231-L331 HydrophobicContact CE1-CD2 3.74Å; Y231-L331 HydrophobicContact CE1-CG 4.08Å; Y231-L331 HydrophobicContact CE2-CD1 4Å; Y231-L331 HydrophobicContact CE2-CD2 4.18Å; Y231-L331 HydrophobicContact CE2-CG 4.06Å; Y231-N576 PolarHBondContact O-ND2 2.9Å
232	I	96.4	Very high	88.5	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-81.6	-41.8	171.7	-61.3	171.7	0	0	0	109.5	K234 L313 V316 D317 L331 L540 T575 N576 L577	I232-K234 PolarHBondContact O-N 2.78Å; I232-L313 HydrophobicContact CG2-CD1 3.97Å; I232-V316 HydrophobicContact CD1-CG1 3.64Å; I232-D317 VanDerWaalsContact CB-OD1 3.31Å; I232-D317 WeakPolarHBondContact CB-OD1 3.39Å; I232-D317 PolarHBondContact N-OD1 2.95Å; I232-D317 PolarHBondContact N-OD2 2.82Å; I232-L331 HydrophobicContact CG1-CD2 3.98Å; I232-L540 HydrophobicContact CD1-CD1 4.44Å; I232-L540 HydrophobicContact CG2-CD1 3.68Å; I232-T575 HydrophobicContact CG2-CG2 4.3Å; I232-T575 CarbonylContact O-C 3.42Å; I232-T575 WeakPolarHBondContact O-CA 3.49Å; I232-T575 WeakPolarHBondContact O-CB 3.39Å; I232-N576 PolarHBondContact O-N 3.4Å; I232-L577 HydrophobicContact CG2-CD1 4.34Å; I232-L577 HydrophobicContact CG2-CD2 3.82Å; I232-L577 HydrophobicContact CG2-CG 3.93Å
233	T	95.9	Very high	88.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-66.1	129.4	-177.9	-49.9	0	0	0	0	110.3	I223 L230 L313 V314 D317 N576	I223-T233 HydrophobicContact CD1-CG2 3.73Å; I223-T233 HydrophobicContact CG1-CG2 4.45Å; I223-T233 HydrophobicContact CG2-CG2 4.14Å; L230-T233 HydrophobicContact CD2-CG2 3.96Å; T233-L313 HydrophobicContact CG2-CD2 3.94Å; T233-L313 HydrophobicContact CG2-CG 4.29Å; T233-L313 WeakPolarHBondContact OG1-CG 3.25Å; T233-V314 HydrophobicContact CG2-CG2 4.4Å; T233-D317 WeakPolarHBondContact CB-OD2 3.5Å; T233-D317 PolarHBondContact N-OD2 3.41Å; T233-D317 PolarHBondContact OG1-OD2 2.66Å; T233-N576 PolarHBondContact O-ND2 3.02Å
234	K	93.7	Very high	88.3	Confident	83 Å²	83	54 Å²	54	36%	0.361	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-101.6	122.2	173.4	-173.2	178.2	177.7	-177	0	109.2	I232 N236 Q572 W574	I232-K234 PolarHBondContact O-N 2.78Å; K234-N236 PolarHBondContact O-N 2.96Å; K234-Q572 PolarHBondContact NZ-O 3.09Å; K234-W574 PolarHBondContact N-O 3.03Å
235	P	88.5	Confident	88.1	Confident	51 Å²	51	55.6 Å²	55.6	33%	0.331	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.6	124.9	171.6	27.4	-31.8	0	0	0	109.1	I223 P225	I223-P235 HydrophobicContact CB-CB 4.35Å; I223-P235 HydrophobicContact CG2-CB 4.07Å; P225-P235 HydrophobicContact CB-CB 4.03Å; P225-P235 HydrophobicContact CB-CG 4.11Å; P225-P235 HydrophobicContact CG-CB 4.07Å
236	N	75.1	Confident	88.1	Confident	49 Å²	49	56 Å²	56	26%	0.262	33%	0.325	S	S	.	.			trans	-131.5	-170.7	179.2	-159.1	-4.4	0	0	0	110.5	K234 C573 W574	K234-N236 PolarHBondContact O-N 2.96Å; N236-C573 PolarHBondContact ND2-O 3.28Å; N236-W574 HydrophobicContact CB-CE3 4.32Å; N236-W574 HydrophobicContact CB-CZ3 4.25Å
237	Q	68.5	Low	88.3	Confident	128 Å²	128	53.6 Å²	53.6	60%	0.598	31%	0.305	S	S	*	.	S	Bend	trans	-57	163.3	174.4	-63.1	-174.7	6.9	0	0	112.1	E239	Q237-E239 PolarHBondContact O-N 2.77Å
238	V	79.6	Confident	88.5	Confident	65 Å²	65	53.4 Å²	53.4	39%	0.394	30%	0.303	S	S	.	.			trans	-60.7	124.8	179.7	178.5	0	0	0	0	109.8	D220 Y221 R222 Q240	D220-V238 HydrophobicContact CB-CG1 3.91Å; Y221-V238 CarbonylContact O-C 2.97Å; Y221-V238 WeakPolarHBondContact O-CA 3.4Å; R222-V238 HydrophobicContact CB-CG2 4.39Å; R222-V238 HydrophobicContact CG-CG2 4.49Å; V238-Q240 PolarHBondContact O-N 3.03Å
239	E	82	Confident	88.8	Confident	60 Å²	60	50.3 Å²	50.3	28%	0.28	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	106	169	179.9	68.8	175.1	0	0	107.7	D220 Y221 Q237 W574	D220-E239 CarbonylContact C-O 3.51Å; D220-E239 WeakPolarHBondContact CA-O 3.37Å; Y221-E239 PolarHBondContact N-O 3.35Å; Y221-E239 PolarHBondContact O-N 3.45Å; Q237-E239 PolarHBondContact O-N 2.77Å; E239-W574 HydrophobicContact CB-CH2 3.8Å; E239-W574 HydrophobicContact CB-CZ2 4.17Å; E239-W574 VanDerWaalsContact OE2-CZ2 3.22Å; E239-W574 WeakPolarHBondContact OE2-CZ2 3.3Å
240	Q	84.9	Confident	88.8	Confident	142 Å²	142	50.2 Å²	50.2	66%	0.664	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.4	-178.6	-67	-177.1	-3.3	0	0	111.1	D220 V238	D220-Q240 WeakPolarHBondContact OD1-CA 3.35Å; V238-Q240 PolarHBondContact O-N 3.03Å
241	G	85.8	Confident	88.9	Confident	35 Å²	35	49 Å²	49	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.7	170.7	176.8	0	0	0	0	0	113.9	R219 D220	R219-G241 CarbonylContact C-O 3.29Å; R219-G241 WeakPolarHBondContact CA-O 3.46Å; R219-G241 VanDerWaalsContact CB-O 3.31Å; R219-G241 WeakPolarHBondContact CB-O 3.39Å; D220-G241 PolarHBondContact N-O 2.91Å; D220-G241 PolarHBondContact OD1-N 3.44Å
242	S	89.3	Confident	88.8	Confident	84 Å²	84	48.8 Å²	48.8	59%	0.587	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	138.9	177.1	-65.9	0	0	0	0	111.1
243	L	89.4	Confident	88.6	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-73.7	152.9	169.7	-73.4	133	0	0	0	110.5	L218 Y221 G245 W248 A264 Y308	L218-L243 HydrophobicContact CB-CB 4.37Å; L218-L243 HydrophobicContact CB-CD1 3.32Å; L218-L243 HydrophobicContact CB-CG 4.45Å; L218-L243 PolarHBondContact O-N 3.32Å; Y221-L243 HydrophobicContact CD2-CD1 3.82Å; Y221-L243 HydrophobicContact CD2-CD2 3.83Å; Y221-L243 HydrophobicContact CD2-CG 4.38Å; Y221-L243 HydrophobicContact CE2-CD1 4.29Å; Y221-L243 HydrophobicContact CE2-CD2 3.95Å; L243-G245 PolarHBondContact O-N 3.38Å; L243-W248 HydrophobicContact CB-CZ2 3.88Å; L243-W248 HydrophobicContact CD2-CH2 3.54Å; L243-W248 HydrophobicContact CD2-CZ2 3.55Å; L243-W248 HydrophobicContact CD2-CZ3 4.14Å; L243-W248 HydrophobicContact CG-CZ2 4.29Å; L243-A264 HydrophobicContact CD1-CB 3.89Å; L243-Y308 HydrophobicContact CD2-CD1 3.72Å; L243-Y308 HydrophobicContact CD2-CD2 4.31Å; L243-Y308 HydrophobicContact CD2-CE1 3.54Å; L243-Y308 HydrophobicContact CD2-CE2 4.19Å; L243-Y308 HydrophobicContact CD2-CG 4.1Å
244	P	90.2	Very high	88.3	Confident	68 Å²	68	59.2 Å²	59.2	44%	0.442	34%	0.338	S	S	.	.	S	Bend	trans	-64.5	124.3	179.6	-20.8	31.8	0	0	0	112.1	W248 Y308	P244-W248 PolarHBondContact O-NE1 2.81Å; P244-Y308 HydrophobicContact CG-CD2 4.33Å
245	G	89.4	Confident	88.3	Confident	43 Å²	43	58.2 Å²	58.2	44%	0.443	33%	0.334	S	S	.	.	S	Bend	trans	75.1	-176.1	177.8	0	0	0	0	0	114.5	L243	L243-G245 PolarHBondContact O-N 3.38Å
246	D	89.4	Confident	88.5	Confident	95 Å²	95	59 Å²	59	51%	0.508	34%	0.341	S	S	.	.	S	Bend	trans	-128.3	20.9	178.8	-57.9	-54.8	0	0	0	111.3	H215 L216 G217 K267	H215-D246 CarbonylContact C-O 3.49Å; H215-D246 WeakPolarHBondContact CA-O 3.29Å; L216-D246 CarbonylContact C-O 3.08Å; L216-D246 PolarHBondContact N-O 3.31Å; L216-D246 CarbonylContact O-C 3.46Å; L216-D246 VanDerWaalsContact O-C 3.29Å; L216-D246 WeakPolarHBondContact O-CA 3.42Å; G217-D246 WeakPolarHBondContact CA-OD1 3.34Å; D246-K267 IonicContact OD1-NZ 3.25Å; D246-K267 PolarHBondContact OD1-NZ 2.83Å
247	D	92	Very high	89.5	Confident	42 Å²	42	56.7 Å²	56.7	23%	0.225	33%	0.329	C	S	.	.			trans	-99.8	23.3	-178.7	56.4	8.4	0	0	0	112.7	K194 A195 N304	K194-D247 WeakPolarHBondContact CE-OD2 3.3Å; K194-D247 IonicContact NZ-OD2 2.7Å; K194-D247 PolarHBondContact NZ-OD2 2.87Å; A195-D247 HydrophobicContact CB-CB 4.43Å; A195-D247 VanDerWaalsContact CB-O 3.31Å; A195-D247 WeakPolarHBondContact CB-O 3.34Å; A195-D247 PolarHBondContact N-O 3.16Å; D247-N304 PolarHBondContact OD1-ND2 2.04Å
248	W	94.3	Very high	90.7	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.011	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.5	-179	-70.5	75.3	0	0	0	111.9	S214 H215 L216 L218 L243 P244 T286 N304 Y308 H311	S214-W248 CarbonylContact C-O 3.28Å; H215-W248 PolarHBondContact N-O 3.26Å; H215-W248 VanDerWaalsContact N-O 3.13Å; L216-W248 PolarHBondContact N-O 2.8Å; L216-W248 VanDerWaalsContact N-O 3.16Å; L216-W248 WeakPolarHBondContact O-CB 3.37Å; L216-W248 PolarHBondContact O-N 3.46Å; L218-W248 HydrophobicContact CD1-CB 3.55Å; L218-W248 HydrophobicContact CD1-CD2 4.12Å; L218-W248 HydrophobicContact CD1-CE3 4.1Å; L218-W248 HydrophobicContact CD1-CG 3.89Å; L218-W248 HydrophobicContact CG-CB 3.98Å; L218-W248 HydrophobicContact CG-CG 4.27Å; L243-W248 HydrophobicContact CB-CZ2 3.88Å; L243-W248 HydrophobicContact CD2-CH2 3.54Å; L243-W248 HydrophobicContact CD2-CZ2 3.55Å; L243-W248 HydrophobicContact CD2-CZ3 4.14Å; L243-W248 HydrophobicContact CG-CZ2 4.29Å; P244-W248 PolarHBondContact O-NE1 2.81Å; W248-T286 HydrophobicContact CE3-CG2 4.08Å; W248-T286 HydrophobicContact CZ3-CG2 4.41Å; W248-N304 HydrophobicContact CD2-CB 3.93Å; W248-N304 VanDerWaalsContact CE2-ND2 3.26Å; W248-N304 HydrophobicContact CE3-CB 3.74Å; W248-N304 HydrophobicContact CH2-CB 3.98Å; W248-N304 HydrophobicContact CZ2-CB 4.14Å; W248-N304 HydrophobicContact CZ3-CB 3.8Å; W248-N304 PolarHBondContact NE1-ND2 3.47Å; W248-Y308 HydrophobicContact CH2-CD1 4.08Å; W248-Y308 HydrophobicContact CH2-CG 4.31Å; W248-H311 AromaticContact CH2-CE1 3.5Å; W248-H311 VanDerWaalsContact CH2-CE1 3.5Å; W248-H311 WeakPolarHBondContact CH2-CE1 3.16Å; W248-H311 AromaticContact CH2-NE2 3.62Å; W248-H311 AromaticContact CZ3-CE1 3.26Å; W248-H311 WeakPolarHBondContact CZ3-CE1 3.23Å; W248-H311 AromaticContact CZ3-NE2 3.29Å; W248-H311 VanDerWaalsContact CZ3-NE2 3.29Å; W248-H311 WeakPolarHBondContact CZ3-NE2 3.36Å
249	T	95.2	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	170.6	-60.3	0	0	0	0	110.2	F193 L212 H213 S214 G303	F193-T249 HydrophobicContact CD1-CG2 3.67Å; F193-T249 VanDerWaalsContact CD1-OG1 3.31Å; F193-T249 WeakPolarHBondContact CD1-OG1 3.32Å; F193-T249 HydrophobicContact CE1-CG2 3.94Å; F193-T249 WeakPolarHBondContact CE1-OG1 3.45Å; L212-T249 HydrophobicContact CB-CG2 3.92Å; L212-T249 HydrophobicContact CD2-CG2 3.91Å; L212-T249 HydrophobicContact CG-CG2 4.5Å; H213-T249 CarbonylContact O-C 3.52Å; H213-T249 WeakPolarHBondContact O-CA 3.41Å; S214-T249 PolarHBondContact OG-OG1 2.82Å; T249-G303 PolarHBondContact N-O 3.47Å; T249-G303 WeakPolarHBondContact O-CA 3.47Å
250	I	95.6	Very high	92.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	154.2	170.2	64.5	172.3	0	0	0	110.3	H213 L216 L218 L272 Y284 S285 T286	H213-I250 HydrophobicContact CB-CD1 4.12Å; H213-I250 HydrophobicContact CB-CG1 3.67Å; H213-I250 PolarHBondContact N-O 3.29Å; H213-I250 PolarHBondContact O-N 3.46Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 HydrophobicContact CD1-CD1 3.72Å; L216-I250 HydrophobicContact CD1-CG1 3.65Å; L216-I250 HydrophobicContact CD1-CG2 3.96Å; L218-I250 HydrophobicContact CD1-CG2 3.98Å; L218-I250 HydrophobicContact CD2-CG2 4.42Å; I250-L272 HydrophobicContact CD1-CD1 4.24Å; I250-Y284 HydrophobicContact CD1-CD1 3.67Å; I250-Y284 HydrophobicContact CD1-CD2 4.2Å; I250-Y284 HydrophobicContact CD1-CE1 4.3Å; I250-Y284 HydrophobicContact CD1-CG 3.6Å; I250-S285 CarbonylContact C-O 3.56Å; I250-S285 VanDerWaalsContact CA-O 3.22Å; I250-S285 WeakPolarHBondContact CA-O 3.43Å; I250-S285 WeakPolarHBondContact CB-O 3.48Å; I250-T286 HydrophobicContact CG2-CG2 4.13Å
251	F	95.7	Very high	92.6	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.8	179.4	-58.8	-78.5	0	0	0	110.3	L210 F211 L212 S285 T286 V288 L301 G303	L210-F251 HydrophobicContact CD1-CB 4.04Å; L210-F251 HydrophobicContact CD1-CD1 4.49Å; L210-F251 HydrophobicContact CD2-CD1 3.82Å; L210-F251 HydrophobicContact CD2-CE1 4.39Å; L210-F251 HydrophobicContact CG-CD1 4.22Å; F211-F251 WeakPolarHBondContact O-CA 3.35Å; L212-F251 HydrophobicContact CD2-CD1 3.43Å; L212-F251 VanDerWaalsContact CD2-CD1 3.43Å; L212-F251 HydrophobicContact CD2-CE1 3.27Å; L212-F251 HydrophobicContact CD2-CZ 4.4Å; F251-S285 PolarHBondContact N-O 2.73Å; F251-T286 WeakPolarHBondContact CE2-O 3.2Å; F251-V288 HydrophobicContact CB-CB 4.46Å; F251-V288 HydrophobicContact CB-CG1 3.64Å; F251-V288 HydrophobicContact CB-CG2 3.94Å; F251-V288 HydrophobicContact CD1-CG2 4.18Å; F251-V288 HydrophobicContact CD2-CB 4.47Å; F251-V288 HydrophobicContact CD2-CG1 4.06Å; F251-V288 HydrophobicContact CD2-CG2 3.8Å; F251-V288 HydrophobicContact CE2-CG2 4.31Å; F251-V288 HydrophobicContact CG-CG1 4.13Å; F251-V288 HydrophobicContact CG-CG2 3.72Å; F251-L301 HydrophobicContact CE1-CB 4.08Å; F251-L301 HydrophobicContact CE2-CB 4.33Å; F251-L301 WeakPolarHBondContact CE2-O 3.15Å; F251-L301 HydrophobicContact CZ-CB 3.82Å; F251-G303 VanDerWaalsContact CE2-N 3.34Å
252	L	94.1	Very high	93.1	Very high	62 Å²	62	42.6 Å²	42.6	33%	0.325	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.1	174.2	-59.4	-178.4	0	0	0	109.8	F211 Y284	F211-L252 HydrophobicContact CB-CB 4.34Å; F211-L252 PolarHBondContact N-O 3.44Å; F211-L252 PolarHBondContact O-N 2.82Å; L252-Y284 HydrophobicContact CD2-CD1 3.95Å; L252-Y284 HydrophobicContact CD2-CE1 4.39Å
253	S	92.3	Very high	93.3	Very high	37 Å²	37	39.8 Å²	39.8	26%	0.259	23%	0.231	S	C	.	.			trans	-149.2	146.6	173.7	-175.3	0	0	0	0	110.9	P209 H255 Y258	P209-S253 WeakPolarHBondContact O-CB 3.27Å; P209-S253 PolarHBondContact O-OG 3Å; S253-H255 WeakPolarHBondContact OG-CB 3.15Å; S253-H255 PolarHBondContact OG-N 2.81Å; S253-Y258 VanDerWaalsContact OG-CD2 3.25Å; S253-Y258 WeakPolarHBondContact OG-CD2 3.19Å
254	N	90	Very high	93.5	Very high	183 Å²	183	39.5 Å²	39.5	98%	0.979	23%	0.229	S	C	*	.			trans	-98.3	1.1	168.9	-66.5	-17.4	0	0	0	112
255	H	93.5	Very high	93.5	Very high	62 Å²	62	36.5 Å²	36.5	29%	0.287	21%	0.209	S	C	.	.	S	Bend	trans	-89.8	135.1	-179.8	-164.9	-67.6	0	0	0	110.7	P209 S253 T257 Y258	P209-H255 HydrophobicContact CB-CB 4.08Å; P209-H255 HydrophobicContact CG-CB 3.86Å; S253-H255 WeakPolarHBondContact OG-CB 3.15Å; S253-H255 PolarHBondContact OG-N 2.81Å; H255-T257 HydrophobicContact CB-CG2 4.4Å; H255-T257 WeakPolarHBondContact ND1-CB 3.19Å; H255-T257 WeakPolarHBondContact ND1-CG2 3.29Å; H255-T257 PolarHBondContact ND1-N 3.31Å; H255-T257 PolarHBondContact O-N 3.37Å; H255-Y258 HydrophobicContact CB-CD2 4.38Å; H255-Y258 PolarHBondContact O-N 2.89Å
256	S	92.9	Very high	93.4	Very high	68 Å²	68	35.3 Å²	35.3	48%	0.476	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	3.6	-178.3	67.2	0	0	0	0	115.3
257	T	94.6	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.4	179.3	-161	0	0	0	0	110.8	H255 D290 L291 G292 L293 H294	H255-T257 HydrophobicContact CB-CG2 4.4Å; H255-T257 WeakPolarHBondContact ND1-CB 3.19Å; H255-T257 WeakPolarHBondContact ND1-CG2 3.29Å; H255-T257 PolarHBondContact ND1-N 3.31Å; H255-T257 PolarHBondContact O-N 3.37Å; T257-D290 WeakPolarHBondContact CG2-OD1 3.37Å; T257-D290 CarbonylContact O-C 3.59Å; T257-D290 WeakPolarHBondContact O-CA 3.34Å; T257-D290 PolarHBondContact OG1-OD1 3.42Å; T257-L291 WeakPolarHBondContact O-CG 3.41Å; T257-L291 PolarHBondContact O-N 2.84Å; T257-G292 PolarHBondContact OG1-N 2.84Å; T257-L293 PolarHBondContact OG1-N 3.39Å; T257-H294 HydrophobicContact CG2-CB 4.43Å
258	Y	95.7	Very high	91.8	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.7	-177.2	-61	-71.4	0	0	0	110.5	F208 P209 L210 S253 H255 V288 Q289 D290	F208-Y258 WeakPolarHBondContact CD1-OH 3.22Å; P209-Y258 HydrophobicContact CG-CE2 4.07Å; L210-Y258 HydrophobicContact CB-CE2 3.93Å; L210-Y258 HydrophobicContact CD1-CD1 4.09Å; L210-Y258 HydrophobicContact CD1-CD2 3.95Å; L210-Y258 HydrophobicContact CD1-CE1 4.23Å; L210-Y258 HydrophobicContact CD1-CE2 4.05Å; L210-Y258 HydrophobicContact CD1-CG 3.95Å; L210-Y258 HydrophobicContact CD2-CD1 4.43Å; L210-Y258 HydrophobicContact CD2-CE1 3.95Å; L210-Y258 HydrophobicContact CG-CE1 4.48Å; L210-Y258 HydrophobicContact CG-CE2 4.46Å; S253-Y258 VanDerWaalsContact OG-CD2 3.25Å; S253-Y258 WeakPolarHBondContact OG-CD2 3.19Å; H255-Y258 HydrophobicContact CB-CD2 4.38Å; H255-Y258 PolarHBondContact O-N 2.89Å; Y258-V288 HydrophobicContact CD1-CG2 4.39Å; Y258-Q289 CarbonylContact C-O 3.52Å; Y258-Q289 VanDerWaalsContact CA-O 3.27Å; Y258-Q289 WeakPolarHBondContact CA-O 3.4Å; Y258-D290 HydrophobicContact CD1-CB 3.89Å; Y258-D290 HydrophobicContact CE1-CB 3.65Å
259	E	95.1	Very high	90	Very high	66 Å²	66	41 Å²	41	31%	0.308	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.5	173.7	-65.2	-169.7	158.8	0	0	110.6	P228 V261 V288 Q289 L291	P228-E259 WeakPolarHBondContact CD-OE2 3.24Å; E259-V261 PolarHBondContact O-N 3.49Å; E259-V288 WeakPolarHBondContact O-CA 3.3Å; E259-Q289 PolarHBondContact N-O 3.26Å; E259-Q289 PolarHBondContact O-N 3.33Å; E259-L291 HydrophobicContact CG-CD1 4.11Å; E259-L291 HydrophobicContact CG-CG 4.47Å
260	P	95	Very high	88.4	Confident	44 Å²	44	42 Å²	42	29%	0.286	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.7	177	29.2	-34.1	0	0	0	110.6	S224 L263 S285	S224-P260 WeakPolarHBondContact CB-O 3.29Å; S224-P260 PolarHBondContact OG-O 2.87Å; S224-P260 VanDerWaalsContact OG-O 3.1Å; P260-L263 HydrophobicContact CB-CD2 3.81Å; P260-L263 HydrophobicContact CB-CG 4.19Å; P260-S285 WeakPolarHBondContact CB-OG 3.37Å
261	V	95.8	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-49.7	172.6	-176.4	0	0	0	0	109.3	S224 A227 L229 L230 E259 V287 Q289 V314	S224-V261 WeakPolarHBondContact CB-O 3.42Å; S224-V261 PolarHBondContact N-O 3.36Å; A227-V261 HydrophobicContact CB-CB 4.4Å; A227-V261 HydrophobicContact CB-CG1 4.22Å; A227-V261 HydrophobicContact CB-CG2 4.32Å; L229-V261 HydrophobicContact CD1-CG1 3.98Å; L229-V261 HydrophobicContact CD2-CB 4.39Å; L229-V261 HydrophobicContact CD2-CG1 3.95Å; L229-V261 HydrophobicContact CD2-CG2 3.53Å; L229-V261 HydrophobicContact CG-CG1 4.14Å; L229-V261 HydrophobicContact CG-CG2 4.31Å; L230-V261 HydrophobicContact CD2-CG1 4.26Å; E259-V261 PolarHBondContact O-N 3.49Å; V261-V287 HydrophobicContact CB-CB 4.19Å; V261-V287 HydrophobicContact CB-CG1 3.94Å; V261-V287 HydrophobicContact CG1-CG1 4.38Å; V261-V287 HydrophobicContact CG2-CG1 4.28Å; V261-V287 PolarHBondContact N-O 3.3Å; V261-Q289 HydrophobicContact CG2-CB 3.7Å; V261-V314 HydrophobicContact CG1-CG1 3.74Å; V261-V314 HydrophobicContact CG1-CG2 4.41Å
262	L	94.8	Very high	84.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.8	179.4	-61.2	176.7	0	0	0	111.1	Y221 I223 S285 T286 V287 V314	Y221-L262 HydrophobicContact CD1-CD2 4.41Å; Y221-L262 HydrophobicContact CE1-CB 3.44Å; Y221-L262 VanDerWaalsContact CE1-CB 3.44Å; Y221-L262 HydrophobicContact CE1-CD1 3.6Å; Y221-L262 HydrophobicContact CE1-CD2 3.63Å; Y221-L262 HydrophobicContact CE1-CG 3.7Å; Y221-L262 HydrophobicContact CE2-CB 4.44Å; Y221-L262 WeakPolarHBondContact OH-CB 3.44Å; Y221-L262 WeakPolarHBondContact OH-CD1 3.3Å; I223-L262 HydrophobicContact CB-CD2 4.21Å; I223-L262 HydrophobicContact CG1-CD2 3.72Å; I223-L262 HydrophobicContact CG2-CD2 4.29Å; L262-S285 CarbonylContact O-C 3.6Å; L262-S285 WeakPolarHBondContact O-CA 3.25Å; L262-T286 PolarHBondContact O-N 2.91Å; L262-T286 PolarHBondContact O-OG1 3.24Å; L262-V287 HydrophobicContact CB-CB 3.89Å; L262-V287 HydrophobicContact CB-CG2 4.05Å; L262-V287 HydrophobicContact CD1-CB 4.05Å; L262-V287 HydrophobicContact CD1-CG2 3.55Å; L262-V287 HydrophobicContact CG-CB 4.02Å; L262-V287 HydrophobicContact CG-CG2 4.07Å; L262-V287 PolarHBondContact N-O 2.81Å; L262-V287 PolarHBondContact O-N 3.07Å; L262-V314 HydrophobicContact CD1-CB 4Å; L262-V314 HydrophobicContact CD1-CG1 4.26Å; L262-V314 HydrophobicContact CD1-CG2 3.65Å; L262-V314 HydrophobicContact CD2-CG2 3.8Å; L262-V314 HydrophobicContact CG-CG2 3.95Å
263	L	93.9	Very high	82.7	Confident	25 Å²	25	46.6 Å²	46.6	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.2	-173.1	-65.5	160.7	0	0	0	110.5	Y221 R222 P260 L283 Y284	Y221-L263 CarbonylContact C-O 3.5Å; Y221-L263 WeakPolarHBondContact CA-O 3.32Å; Y221-L263 WeakPolarHBondContact CD2-O 2.98Å; R222-L263 HydrophobicContact CB-CB 4.35Å; R222-L263 PolarHBondContact N-O 2.99Å; R222-L263 PolarHBondContact O-N 3.04Å; P260-L263 HydrophobicContact CB-CD2 3.81Å; P260-L263 HydrophobicContact CB-CG 4.19Å; L263-L283 HydrophobicContact CB-CB 4.32Å; L263-L283 HydrophobicContact CB-CD2 4.37Å; L263-L283 HydrophobicContact CD2-CB 4.39Å; L263-Y284 CarbonylContact C-O 3.52Å; L263-Y284 VanDerWaalsContact CA-O 3.26Å; L263-Y284 WeakPolarHBondContact CA-O 3.46Å
264	A	93.2	Very high	80.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.7	176.5	0	0	0	0	0	111.3	L218 Y221 L243 Y284 T286	L218-A264 HydrophobicContact CB-CB 4.13Å; L218-A264 HydrophobicContact CD1-CB 4.06Å; Y221-A264 HydrophobicContact CD2-CB 3.66Å; Y221-A264 HydrophobicContact CE2-CB 3.98Å; L243-A264 HydrophobicContact CD1-CB 3.89Å; A264-Y284 PolarHBondContact N-O 3.39Å; A264-Y284 PolarHBondContact O-N 3.21Å; A264-T286 HydrophobicContact CB-CG2 3.85Å
265	T	91	Very high	78.7	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.5	171.5	61.6	0	0	0	0	111.1	L218 R219 Q281 L283	L218-T265 CarbonylContact C-O 3.56Å; L218-T265 WeakPolarHBondContact CA-O 3.29Å; R219-T265 WeakPolarHBondContact CG-OG1 3.28Å; R219-T265 PolarHBondContact N-O 2.99Å; R219-T265 PolarHBondContact O-N 3.49Å; R219-T265 VanDerWaalsContact O-O 3.07Å; R219-T265 PolarHBondContact O-OG1 3.4Å; T265-Q281 HydrophobicContact CG2-CB 4.32Å; T265-Q281 HydrophobicContact CG2-CG 4.38Å; T265-L283 HydrophobicContact CG2-CD2 3.62Å; T265-L283 HydrophobicContact CG2-CG 4.45Å
266	P	86.8	Confident	76.4	Confident	18 Å²	18	50.9 Å²	50.9	12%	0.117	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.8	174.6	31	-34.2	0	0	0	110.9	D270 A273 Y284	P266-D270 HydrophobicContact CB-CB 4.34Å; P266-A273 HydrophobicContact CG-CB 4.42Å; P266-Y284 HydrophobicContact CG-CD2 4.39Å; P266-Y284 HydrophobicContact CG-CE2 3.99Å
267	K	83.4	Confident	73.8	Confident	41 Å²	41	54.5 Å²	54.5	18%	0.178	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.6	145.7	167.1	-70.6	175.9	-168.7	165.8	0	108.7	G217 L218 R219 D246 S269 D270	G217-K267 WeakPolarHBondContact O-CB 3.3Å; G217-K267 WeakPolarHBondContact O-CG 3.35Å; G217-K267 PolarHBondContact O-N 2.98Å; L218-K267 VanDerWaalsContact O-CE 3.31Å; L218-K267 WeakPolarHBondContact O-CE 3.08Å; R219-K267 HydrophobicContact CB-CG 4.43Å; R219-K267 HydrophobicContact CG-CG 4.4Å; D246-K267 IonicContact OD1-NZ 3.25Å; D246-K267 PolarHBondContact OD1-NZ 2.83Å; K267-S269 PolarHBondContact O-N 2.94Å; K267-D270 WeakPolarHBondContact O-CB 3.45Å; K267-D270 PolarHBondContact O-N 3.06Å
268	S	65	Low	71.3	Confident	106 Å²	106	57 Å²	57	74%	0.741	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-13	-172	52.1	0	0	0	0	115.7
269	S	57.3	Low	68.6	Low	112 Å²	112	62.8 Å²	62.8	78%	0.783	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.3	178.2	54.4	0	0	0	0	114.1	K267	K267-S269 PolarHBondContact O-N 2.94Å
270	D	60.2	Low	66.3	Low	20 Å²	20	67.2 Å²	67.2	11%	0.107	41%	0.413	C	S	.	.	S	Bend	trans	-90.2	132.7	-173.7	-156.9	-48.4	0	0	0	110.9	L216 G217 P266 K267 L272 A273	L216-D270 WeakPolarHBondContact CD2-OD2 3.32Å; G217-D270 PolarHBondContact N-OD2 3.27Å; P266-D270 HydrophobicContact CB-CB 4.34Å; K267-D270 WeakPolarHBondContact O-CB 3.45Å; K267-D270 PolarHBondContact O-N 3.06Å; D270-L272 PolarHBondContact O-N 2.8Å; D270-A273 VanDerWaalsContact O-CB 3.22Å; D270-A273 WeakPolarHBondContact O-CB 3.41Å; D270-A273 PolarHBondContact O-N 3.16Å
271	P	56.2	Low	64.5	Low	89 Å²	89	72 Å²	72	58%	0.578	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-50.6	-30.5	-178.6	-28.8	33	0	0	0	114.8	A273 H274 F275	P271-A273 PolarHBondContact O-N 2.82Å; P271-H274 PolarHBondContact O-N 2.93Å; P271-F275 WeakPolarHBondContact O-CD2 3.36Å
272	L	57.4	Low	63.3	Low	33 Å²	33	73.9 Å²	73.9	17%	0.173	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-67.3	-16.2	177.5	-74.8	169.2	0	0	0	114.2	L216 I250 D270 H274	L216-L272 HydrophobicContact CD1-CD1 3.66Å; L216-L272 HydrophobicContact CD2-CD1 3.62Å; L216-L272 HydrophobicContact CG-CD1 4.31Å; I250-L272 HydrophobicContact CD1-CD1 4.24Å; D270-L272 PolarHBondContact O-N 2.8Å; L272-H274 PolarHBondContact O-N 3.22Å
273	A	53	Low	62.9	Low	44 Å²	44	77.4 Å²	77.4	36%	0.364	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-66.2	-15.5	172.8	0	0	0	0	0	112.7	P266 D270 P271	P266-A273 HydrophobicContact CG-CB 4.42Å; D270-A273 VanDerWaalsContact O-CB 3.22Å; D270-A273 WeakPolarHBondContact O-CB 3.41Å; D270-A273 PolarHBondContact O-N 3.16Å; P271-A273 PolarHBondContact O-N 2.82Å
274	H	49.7	Very low	62.8	Low	157 Å²	157	77.7 Å²	77.7	73%	0.727	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-107.3	-1.3	-176.7	-62.3	-42.1	0	0	0	114.8	P271 L272	P271-H274 PolarHBondContact O-N 2.93Å; L272-H274 PolarHBondContact O-N 3.22Å
275	F	47.5	Very low	62.9	Low	171 Å²	171	78.7 Å²	78.7	75%	0.75	47%	0.472	S	S	*	.	S	Bend	trans	-98.1	10.2	-174.2	-85.2	-79.3	0	0	0	115.5	P271	P271-F275 WeakPolarHBondContact O-CD2 3.36Å
276	G	45.1	Very low	63.1	Low	44 Å²	44	78.4 Å²	78.4	45%	0.454	47%	0.47	S	S	.	.	S	Bend	trans	-112	140.8	180	0	0	0	0	0	114.1	G278	G276-G278 PolarHBondContact O-N 3.46Å
277	P	39.1	Very low	63.6	Low	145 Å²	145	77.5 Å²	77.5	94%	0.942	47%	0.465	S	S	*	.	S	Bend	trans	-79.3	107.5	177	31	-29.6	0	0	0	110.9
278	G	42	Very low	64.3	Low	52 Å²	52	75.8 Å²	75.8	54%	0.536	46%	0.458	S	S	.	.	S	Bend	trans	102.8	165.7	162.9	0	0	0	0	0	116.6	G276 L280	G276-G278 PolarHBondContact O-N 3.46Å; G278-L280 PolarHBondContact O-N 3.49Å
279	P	39.9	Very low	65.8	Low	145 Å²	145	70.8 Å²	70.8	94%	0.942	42%	0.422	S	S	*	.	S	Bend	trans	-77.7	25.8	-162.9	33.8	-37.1	0	0	0	115.1
280	L	45.9	Very low	67.7	Low	160 Å²	160	65.4 Å²	65.4	84%	0.838	39%	0.385	S	S	*	.	S	Bend	trans	-100.6	114.6	172.5	-76.1	160.5	0	0	0	108.3	G278 A282	G278-L280 PolarHBondContact O-N 3.49Å; L280-A282 PolarHBondContact O-N 3.26Å
281	Q	57.3	Low	69.3	Low	145 Å²	145	65.1 Å²	65.1	68%	0.678	38%	0.383	S	S	*	.			trans	-47.8	111.8	175.7	-115	165.8	-17.8	0	0	110.8	T265 L283	T265-Q281 HydrophobicContact CG2-CB 4.32Å; T265-Q281 HydrophobicContact CG2-CG 4.38Å; Q281-L283 PolarHBondContact O-N 3.2Å
282	A	71.7	Confident	71.1	Confident	39 Å²	39	61.2 Å²	61.2	32%	0.322	36%	0.36	S	S	.	.			trans	-66	123.8	-179.2	0	0	0	0	0	110.4	L280 Y284	L280-A282 PolarHBondContact O-N 3.26Å; A282-Y284 HydrophobicContact CB-CE2 3.98Å
283	L	86	Confident	72.9	Confident	73 Å²	73	62.6 Å²	62.6	38%	0.382	37%	0.367	S	S	.	.			trans	-94.2	127.5	175.8	-73.6	167.9	0	0	0	109.6	L263 T265 Q281	L263-L283 HydrophobicContact CB-CB 4.32Å; L263-L283 HydrophobicContact CB-CD2 4.37Å; L263-L283 HydrophobicContact CD2-CB 4.39Å; T265-L283 HydrophobicContact CG2-CD2 3.62Å; T265-L283 HydrophobicContact CG2-CG 4.45Å; Q281-L283 PolarHBondContact O-N 3.2Å
284	Y	92	Very high	74.7	Confident	32 Å²	32	64.8 Å²	64.8	13%	0.125	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.5	-178.8	-64	-68.4	0	0	0	112.1	I250 L252 L263 A264 P266 A282 T286	I250-Y284 HydrophobicContact CD1-CD1 3.67Å; I250-Y284 HydrophobicContact CD1-CD2 4.2Å; I250-Y284 HydrophobicContact CD1-CE1 4.3Å; I250-Y284 HydrophobicContact CD1-CG 3.6Å; L252-Y284 HydrophobicContact CD2-CD1 3.95Å; L252-Y284 HydrophobicContact CD2-CE1 4.39Å; L263-Y284 CarbonylContact C-O 3.52Å; L263-Y284 VanDerWaalsContact CA-O 3.26Å; L263-Y284 WeakPolarHBondContact CA-O 3.46Å; A264-Y284 PolarHBondContact N-O 3.39Å; A264-Y284 PolarHBondContact O-N 3.21Å; P266-Y284 HydrophobicContact CG-CD2 4.39Å; P266-Y284 HydrophobicContact CG-CE2 3.99Å; A282-Y284 HydrophobicContact CB-CE2 3.98Å; Y284-T286 PolarHBondContact O-N 2.84Å
285	S	94.7	Very high	76.8	Confident	20 Å²	20	60 Å²	60	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.3	-177	-49.9	0	0	0	0	111.5	I250 F251 P260 L262	I250-S285 CarbonylContact C-O 3.56Å; I250-S285 VanDerWaalsContact CA-O 3.22Å; I250-S285 WeakPolarHBondContact CA-O 3.43Å; I250-S285 WeakPolarHBondContact CB-O 3.48Å; F251-S285 PolarHBondContact N-O 2.73Å; P260-S285 WeakPolarHBondContact CB-OG 3.37Å; L262-S285 CarbonylContact O-C 3.6Å; L262-S285 WeakPolarHBondContact O-CA 3.25Å
286	T	95.4	Very high	78.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-18.1	174.5	53.7	0	0	0	0	112.1	L218 Y221 W248 I250 F251 L262 A264 Y284 G303	L218-T286 HydrophobicContact CD1-CG2 3.41Å; L218-T286 VanDerWaalsContact CD1-CG2 3.41Å; Y221-T286 HydrophobicContact CE2-CG2 4.17Å; Y221-T286 WeakPolarHBondContact CE2-OG1 3.38Å; Y221-T286 PolarHBondContact OH-OG1 3.4Å; W248-T286 HydrophobicContact CE3-CG2 4.08Å; W248-T286 HydrophobicContact CZ3-CG2 4.41Å; I250-T286 HydrophobicContact CG2-CG2 4.13Å; F251-T286 WeakPolarHBondContact CE2-O 3.2Å; L262-T286 PolarHBondContact O-N 2.91Å; L262-T286 PolarHBondContact O-OG1 3.24Å; A264-T286 HydrophobicContact CB-CG2 3.85Å; Y284-T286 PolarHBondContact O-N 2.84Å; T286-G303 WeakPolarHBondContact O-CA 3.4Å; T286-G303 PolarHBondContact O-N 3.28Å
287	V	97.6	Very high	81.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.8	165.4	-178.6	0	0	0	0	108.2	V261 L262 V300 L301 F302 V314	V261-V287 HydrophobicContact CB-CB 4.19Å; V261-V287 HydrophobicContact CB-CG1 3.94Å; V261-V287 HydrophobicContact CG1-CG1 4.38Å; V261-V287 HydrophobicContact CG2-CG1 4.28Å; V261-V287 PolarHBondContact N-O 3.3Å; L262-V287 HydrophobicContact CB-CB 3.89Å; L262-V287 HydrophobicContact CB-CG2 4.05Å; L262-V287 HydrophobicContact CD1-CB 4.05Å; L262-V287 HydrophobicContact CD1-CG2 3.55Å; L262-V287 HydrophobicContact CG-CB 4.02Å; L262-V287 HydrophobicContact CG-CG2 4.07Å; L262-V287 PolarHBondContact N-O 2.81Å; L262-V287 PolarHBondContact O-N 3.07Å; V287-V300 HydrophobicContact CG1-CG1 3.88Å; V287-L301 VanDerWaalsContact CA-O 3.3Å; V287-L301 WeakPolarHBondContact CA-O 3.14Å; V287-L301 WeakPolarHBondContact CG1-O 3.08Å; V287-F302 HydrophobicContact CG1-CD1 4.2Å; V287-F302 HydrophobicContact CG1-CE1 4.11Å; V287-F302 HydrophobicContact CG1-CG 4.44Å; V287-F302 HydrophobicContact CG1-CZ 4.28Å; V287-F302 HydrophobicContact CG2-CD1 3.48Å; V287-F302 VanDerWaalsContact CG2-CD1 3.48Å; V287-F302 HydrophobicContact CG2-CE1 3.87Å; V287-F302 HydrophobicContact CG2-CG 4.14Å; V287-V314 HydrophobicContact CG1-CG1 4.16Å
288	V	97.5	Very high	84.1	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.1	176.6	-66.4	0	0	0	0	110.6	F251 Y258 E259 V300 L301	F251-V288 HydrophobicContact CB-CB 4.46Å; F251-V288 HydrophobicContact CB-CG1 3.64Å; F251-V288 HydrophobicContact CB-CG2 3.94Å; F251-V288 HydrophobicContact CD1-CG2 4.18Å; F251-V288 HydrophobicContact CD2-CB 4.47Å; F251-V288 HydrophobicContact CD2-CG1 4.06Å; F251-V288 HydrophobicContact CD2-CG2 3.8Å; F251-V288 HydrophobicContact CE2-CG2 4.31Å; F251-V288 HydrophobicContact CG-CG1 4.13Å; F251-V288 HydrophobicContact CG-CG2 3.72Å; Y258-V288 HydrophobicContact CD1-CG2 4.39Å; E259-V288 WeakPolarHBondContact O-CA 3.3Å; V288-V300 WeakPolarHBondContact O-CA 3.3Å; V288-L301 HydrophobicContact CG2-CB 3.92Å; V288-L301 HydrophobicContact CG2-CD1 4.38Å; V288-L301 PolarHBondContact N-O 3.28Å; V288-L301 VanDerWaalsContact N-O 3.08Å; V288-L301 PolarHBondContact O-N 2.87Å
289	Q	96.4	Very high	86.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.4	169.9	176.9	175.7	-9.5	0	0	108.8	L229 Y258 E259 V261 L291 R299 Y321	L229-Q289 HydrophobicContact CD2-CB 4.21Å; L229-Q289 HydrophobicContact CD2-CG 4.46Å; Y258-Q289 CarbonylContact C-O 3.52Å; Y258-Q289 VanDerWaalsContact CA-O 3.27Å; Y258-Q289 WeakPolarHBondContact CA-O 3.4Å; E259-Q289 PolarHBondContact N-O 3.26Å; E259-Q289 PolarHBondContact O-N 3.33Å; V261-Q289 HydrophobicContact CG2-CB 3.7Å; Q289-L291 HydrophobicContact CG-CD2 4.27Å; Q289-R299 CarbonylContact C-O 3.54Å; Q289-R299 WeakPolarHBondContact CA-O 3.49Å; Q289-Y321 PolarHBondContact NE2-OH 3.25Å
290	D	96.4	Very high	89.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.2	169.5	-175.9	3.5	0	0	0	109	T257 Y258 G292 Q298 R299	T257-D290 WeakPolarHBondContact CG2-OD1 3.37Å; T257-D290 CarbonylContact O-C 3.59Å; T257-D290 WeakPolarHBondContact O-CA 3.34Å; T257-D290 PolarHBondContact OG1-OD1 3.42Å; Y258-D290 HydrophobicContact CD1-CB 3.89Å; Y258-D290 HydrophobicContact CE1-CB 3.65Å; D290-G292 PolarHBondContact O-N 2.83Å; D290-G292 PolarHBondContact OD1-N 3.43Å; D290-Q298 WeakPolarHBondContact O-CA 3.29Å; D290-R299 HydrophobicContact CB-CB 3.83Å; D290-R299 HydrophobicContact CB-CG 4.27Å; D290-R299 PolarHBondContact N-O 3.11Å; D290-R299 PolarHBondContact O-N 3.46Å; D290-R299 IonicContact OD2-CZ 2.68Å; D290-R299 IonicContact OD2-NH1 2.87Å; D290-R299 PolarHBondContact OD2-NH1 3.4Å
291	L	95.1	Very high	92	Very high	13 Å²	13	29.8 Å²	29.8	7%	0.068	17%	0.169	C	C	.	.			trans	-73.6	-3.8	178.4	-60.8	179.5	0	0	0	113.1	V96 P228 T257 E259 Q289 L293	V96-L291 HydrophobicContact CG2-CD1 4.11Å; P228-L291 HydrophobicContact CG-CD2 4.45Å; T257-L291 WeakPolarHBondContact O-CG 3.41Å; T257-L291 PolarHBondContact O-N 2.84Å; E259-L291 HydrophobicContact CG-CD1 4.11Å; E259-L291 HydrophobicContact CG-CG 4.47Å; Q289-L291 HydrophobicContact CG-CD2 4.27Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 HydrophobicContact CB-CD1 4.41Å; L291-L293 HydrophobicContact CB-CG 4Å; L291-L293 HydrophobicContact CD1-CD1 4.41Å; L291-L293 PolarHBondContact O-N 2.59Å
292	G	94	Very high	94	Very high	8 Å²	8	22.9 Å²	22.9	8%	0.082	14%	0.136	C	C	.	.	S	Bend	trans	73.1	20.9	-179.8	0	0	0	0	0	113.6	T257 D290 H294 G296 I297	T257-G292 PolarHBondContact OG1-N 2.84Å; D290-G292 PolarHBondContact O-N 2.83Å; D290-G292 PolarHBondContact OD1-N 3.43Å; G292-H294 PolarHBondContact O-N 2.85Å; G292-G296 WeakPolarHBondContact O-CA 3.06Å; G292-G296 PolarHBondContact O-N 3.33Å; G292-I297 WeakPolarHBondContact CA-O 3.44Å
293	L	94.1	Very high	95.1	Very high	61 Å²	61	21 Å²	21	32%	0.319	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.9	178.9	-56	178.3	0	0	0	112.6	T257 L291	T257-L293 PolarHBondContact OG1-N 3.39Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 HydrophobicContact CB-CD1 4.41Å; L291-L293 HydrophobicContact CB-CG 4Å; L291-L293 HydrophobicContact CD1-CD1 4.41Å; L291-L293 PolarHBondContact O-N 2.59Å
294	H	91.9	Very high	95.6	Very high	91 Å²	91	17.8 Å²	17.8	42%	0.421	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-43.6	178.8	-179.2	-99.3	0	0	0	112.8	T257 G292	T257-H294 HydrophobicContact CG2-CB 4.43Å; G292-H294 PolarHBondContact O-N 2.85Å
295	D	92.7	Very high	95.8	Very high	55 Å²	55	17.4 Å²	17.4	29%	0.294	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138	7.2	-171.9	63.9	4.3	0	0	0	114.8	I297 R299	D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact OD1-N 3.41Å; D295-I297 VanDerWaalsContact OD1-N 3.13Å; D295-R299 VanDerWaalsContact CG-NH1 3.33Å; D295-R299 IonicContact OD1-CZ 3.5Å; D295-R299 IonicContact OD1-NH1 2.73Å; D295-R299 PolarHBondContact OD1-NH1 3.04Å; D295-R299 IonicContact OD1-NH2 3.22Å; D295-R299 IonicContact OD2-CZ 3.65Å; D295-R299 VanDerWaalsContact OD2-CZ 3.25Å; D295-R299 IonicContact OD2-NH1 2.88Å; D295-R299 PolarHBondContact OD2-NH1 3.08Å; D295-R299 IonicContact OD2-NH2 2.84Å; D295-R299 PolarHBondContact OD2-NH2 2.9Å
296	G	92.6	Very high	95.8	Very high	51 Å²	51	16.4 Å²	16.4	53%	0.526	10%	0.097	S	C	.	.	S	Bend	trans	82.4	2.5	178.6	0	0	0	0	0	115.3	G292	G292-G296 WeakPolarHBondContact O-CA 3.06Å; G292-G296 PolarHBondContact O-N 3.33Å
297	I	95.6	Very high	95.6	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.026	12%	0.117	C	C	.	.			trans	-113.6	122.6	-176.5	-58.5	169.3	0	0	0	109.8	D179 C182 V189 G292 D295 R299	D179-I297 HydrophobicContact CB-CD1 3.76Å; D179-I297 WeakPolarHBondContact OD1-CD1 3.15Å; C182-I297 HydrophobicContact CB-CD1 3.76Å; C182-I297 HydrophobicContact CB-CG1 3.84Å; C182-I297 HydrophobicContact CB-CG2 4.06Å; V189-I297 HydrophobicContact CG2-CG2 4.13Å; G292-I297 WeakPolarHBondContact CA-O 3.44Å; D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact OD1-N 3.41Å; D295-I297 VanDerWaalsContact OD1-N 3.13Å; I297-R299 HydrophobicContact CG2-CG 4.25Å; I297-R299 PolarHBondContact O-NH1 2.91Å
298	Q	96.9	Very high	95.3	Very high	19 Å²	19	21.2 Å²	21.2	9%	0.089	12%	0.122	C	C	.	.			trans	-81.3	139.5	177.3	-65.6	-175.2	13	0	0	111.5	K97 I99 G188 V189 D290 L322	K97-Q298 PolarHBondContact O-NE2 2.98Å; I99-Q298 VanDerWaalsContact CG1-OE1 3.27Å; G188-Q298 VanDerWaalsContact CA-O 3.31Å; G188-Q298 WeakPolarHBondContact CA-O 3.42Å; V189-Q298 PolarHBondContact N-O 3.16Å; D290-Q298 WeakPolarHBondContact O-CA 3.29Å; Q298-L322 HydrophobicContact CB-CD2 3.72Å
299	R	97.1	Very high	95.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.4	-177.3	-43.4	-178.3	173	80.5	-2.8	113.1	Y167 V189 Q289 D290 D295 I297	Y167-R299 PolarHBondContact OH-NE 3.23Å; Y167-R299 PolarHBondContact OH-NH2 3.41Å; V189-R299 HydrophobicContact CB-CG 4.15Å; V189-R299 CarbonylContact O-C 3.6Å; V189-R299 WeakPolarHBondContact O-CA 3.4Å; V189-R299 WeakPolarHBondContact O-CB 3.46Å; Q289-R299 CarbonylContact C-O 3.54Å; Q289-R299 WeakPolarHBondContact CA-O 3.49Å; D290-R299 HydrophobicContact CB-CB 3.83Å; D290-R299 HydrophobicContact CB-CG 4.27Å; D290-R299 PolarHBondContact N-O 3.11Å; D290-R299 PolarHBondContact O-N 3.46Å; D290-R299 IonicContact OD2-CZ 2.68Å; D290-R299 IonicContact OD2-NH1 2.87Å; D290-R299 PolarHBondContact OD2-NH1 3.4Å; D295-R299 VanDerWaalsContact CG-NH1 3.33Å; D295-R299 IonicContact OD1-CZ 3.5Å; D295-R299 IonicContact OD1-NH1 2.73Å; D295-R299 PolarHBondContact OD1-NH1 3.04Å; D295-R299 IonicContact OD1-NH2 3.22Å; D295-R299 IonicContact OD2-CZ 3.65Å; D295-R299 VanDerWaalsContact OD2-CZ 3.25Å; D295-R299 IonicContact OD2-NH1 2.88Å; D295-R299 PolarHBondContact OD2-NH1 3.08Å; D295-R299 IonicContact OD2-NH2 2.84Å; D295-R299 PolarHBondContact OD2-NH2 2.9Å; I297-R299 HydrophobicContact CG2-CG 4.25Å; I297-R299 PolarHBondContact O-NH1 2.91Å
300	V	98.5	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	165.2	-178.2	0	0	0	0	108.4	V189 I190 G191 L229 V287 V288 F302 A318 L322	V189-V300 PolarHBondContact O-N 3.09Å; I190-V300 WeakPolarHBondContact CA-O 3.26Å; G191-V300 PolarHBondContact N-O 3.29Å; L229-V300 HydrophobicContact CD2-CG1 4.22Å; L229-V300 HydrophobicContact CD2-CG2 3.84Å; V287-V300 HydrophobicContact CG1-CG1 3.88Å; V288-V300 WeakPolarHBondContact O-CA 3.3Å; V300-F302 HydrophobicContact CB-CE2 4.47Å; V300-F302 HydrophobicContact CG1-CD2 4.31Å; V300-F302 HydrophobicContact CG1-CE2 3.65Å; V300-F302 HydrophobicContact CG1-CZ 4.13Å; V300-A318 HydrophobicContact CB-CB 4Å; V300-A318 HydrophobicContact CG1-CB 3.97Å; V300-A318 HydrophobicContact CG2-CB 3.92Å; V300-L322 HydrophobicContact CB-CD1 4.4Å; V300-L322 HydrophobicContact CG2-CD1 3.99Å; V300-L322 HydrophobicContact CG2-CG 4.27Å
301	L	98.4	Very high	94.9	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.3	-174	-56.9	178.8	0	0	0	110.8	V164 G191 L210 F251 V287 V288	V164-L301 HydrophobicContact CG2-CD2 3.97Å; G191-L301 CarbonylContact O-C 3.56Å; G191-L301 VanDerWaalsContact O-CA 3.31Å; G191-L301 WeakPolarHBondContact O-CA 3.27Å; L210-L301 HydrophobicContact CD2-CD1 3.49Å; L210-L301 VanDerWaalsContact CD2-CD1 3.49Å; F251-L301 HydrophobicContact CE1-CB 4.08Å; F251-L301 HydrophobicContact CE2-CB 4.33Å; F251-L301 WeakPolarHBondContact CE2-O 3.15Å; F251-L301 HydrophobicContact CZ-CB 3.82Å; V287-L301 VanDerWaalsContact CA-O 3.3Å; V287-L301 WeakPolarHBondContact CA-O 3.14Å; V287-L301 WeakPolarHBondContact CG1-O 3.08Å; V288-L301 HydrophobicContact CG2-CB 3.92Å; V288-L301 HydrophobicContact CG2-CD1 4.38Å; V288-L301 PolarHBondContact N-O 3.28Å; V288-L301 VanDerWaalsContact N-O 3.08Å; V288-L301 PolarHBondContact O-N 2.87Å
302	F	98.4	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.8	-179.9	-69.1	-100.6	0	0	0	110.9	I190 G191 F192 F193 V287 V300 N304 H311 V314 F315	I190-F302 HydrophobicContact CG2-CD2 4.04Å; I190-F302 HydrophobicContact CG2-CE2 3.84Å; G191-F302 PolarHBondContact O-N 3.19Å; F192-F302 HydrophobicContact CD1-CB 3.48Å; F192-F302 VanDerWaalsContact CD1-CB 3.48Å; F192-F302 HydrophobicContact CD1-CD2 4.23Å; F192-F302 AromaticContact CD1-CG 3.92Å; F192-F302 HydrophobicContact CD1-CG 3.92Å; F192-F302 HydrophobicContact CE1-CB 3.75Å; F192-F302 HydrophobicContact CE1-CD1 4.15Å; F192-F302 AromaticContact CE1-CD2 3.83Å; F192-F302 HydrophobicContact CE1-CD2 3.83Å; F192-F302 HydrophobicContact CE1-CE2 4.49Å; F192-F302 AromaticContact CE1-CG 3.64Å; F192-F302 HydrophobicContact CE1-CG 3.64Å; F192-F302 HydrophobicContact CG-CB 4.25Å; F192-F302 HydrophobicContact CZ-CD2 4.05Å; F192-F302 HydrophobicContact CZ-CE2 4.41Å; F192-F302 HydrophobicContact CZ-CG 4.33Å; F193-F302 PolarHBondContact N-O 3.02Å; V287-F302 HydrophobicContact CG1-CD1 4.2Å; V287-F302 HydrophobicContact CG1-CE1 4.11Å; V287-F302 HydrophobicContact CG1-CG 4.44Å; V287-F302 HydrophobicContact CG1-CZ 4.28Å; V287-F302 HydrophobicContact CG2-CD1 3.48Å; V287-F302 VanDerWaalsContact CG2-CD1 3.48Å; V287-F302 HydrophobicContact CG2-CE1 3.87Å; V287-F302 HydrophobicContact CG2-CG 4.14Å; V300-F302 HydrophobicContact CB-CE2 4.47Å; V300-F302 HydrophobicContact CG1-CD2 4.31Å; V300-F302 HydrophobicContact CG1-CE2 3.65Å; V300-F302 HydrophobicContact CG1-CZ 4.13Å; F302-N304 VanDerWaalsContact C-N 3.27Å; F302-N304 PolarHBondContact O-N 3.43Å; F302-H311 HydrophobicContact CD1-CB 4.21Å; F302-H311 AromaticContact CD1-CG 3.94Å; F302-H311 HydrophobicContact CE1-CB 4.32Å; F302-V314 HydrophobicContact CE1-CB 4.31Å; F302-V314 HydrophobicContact CE1-CG1 4.02Å; F302-V314 HydrophobicContact CZ-CG1 3.94Å; F302-F315 HydrophobicContact CE1-CB 4.4Å; F302-F315 HydrophobicContact CE2-CD2 4.39Å; F302-F315 HydrophobicContact CZ-CB 3.98Å; F302-F315 HydrophobicContact CZ-CD2 4.48Å
303	G	96.5	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-87.2	11.8	-178.2	0	0	0	0	0	114.7	F193 T249 F251 T286	F193-G303 CarbonylContact O-C 3.6Å; F193-G303 WeakPolarHBondContact O-CA 3.33Å; T249-G303 PolarHBondContact N-O 3.47Å; T249-G303 WeakPolarHBondContact O-CA 3.47Å; F251-G303 VanDerWaalsContact CE2-N 3.34Å; T286-G303 WeakPolarHBondContact O-CA 3.4Å; T286-G303 PolarHBondContact O-N 3.28Å
304	N	95.8	Very high	95.2	Very high	5 Å²	5	20 Å²	20	3%	0.027	11%	0.11	C	C	.	.	S	Bend	trans	-164.3	177.6	168.6	-151.7	-32.5	0	0	0	108.9	F192 F193 D247 W248 F302 H311	F192-N304 WeakPolarHBondContact CD1-O 3.15Å; F193-N304 PolarHBondContact O-N 3.31Å; D247-N304 PolarHBondContact OD1-ND2 2.04Å; W248-N304 HydrophobicContact CD2-CB 3.93Å; W248-N304 VanDerWaalsContact CE2-ND2 3.26Å; W248-N304 HydrophobicContact CE3-CB 3.74Å; W248-N304 HydrophobicContact CH2-CB 3.98Å; W248-N304 HydrophobicContact CZ2-CB 4.14Å; W248-N304 HydrophobicContact CZ3-CB 3.8Å; W248-N304 PolarHBondContact NE1-ND2 3.47Å; F302-N304 VanDerWaalsContact C-N 3.27Å; F302-N304 PolarHBondContact O-N 3.43Å; N304-H311 PolarHBondContact O-ND1 3.21Å
305	N	95.2	Very high	95.5	Very high	24 Å²	24	15.7 Å²	15.7	13%	0.128	9%	0.09	C	C	.	.			trans	-70.2	-174.7	177.6	-68.7	4.4	0	0	0	113.1	L119 K194 N307 H311	L119-N305 HydrophobicContact CD1-CB 4.13Å; K194-N305 WeakPolarHBondContact CB-OD1 3.2Å; K194-N305 HydrophobicContact CD-CB 4.49Å; K194-N305 WeakPolarHBondContact CD-ND2 3.26Å; K194-N305 WeakPolarHBondContact CD-OD1 3.47Å; N305-N307 VanDerWaalsContact C-N 3.28Å; N305-N307 PolarHBondContact O-N 2.91Å; N305-H311 PolarHBondContact O-ND1 3.36Å
306	L	95.4	Very high	95.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	12.2	177.7	-64	176.9	0	0	0	114.2	L119 E122 I123 I126 F192 Y308 H311 K312 F315	L119-L306 HydrophobicContact CD1-CB 4.18Å; L119-L306 HydrophobicContact CD1-CD1 4.05Å; L119-L306 HydrophobicContact CD1-CG 3.8Å; E122-L306 HydrophobicContact CB-CD1 4.44Å; E122-L306 WeakPolarHBondContact OE2-CB 3.33Å; I123-L306 HydrophobicContact CG1-CD1 3.84Å; I126-L306 HydrophobicContact CD1-CD1 3.91Å; F192-L306 HydrophobicContact CE1-CD2 3.63Å; F192-L306 HydrophobicContact CE1-CG 3.8Å; F192-L306 HydrophobicContact CZ-CD1 4.21Å; F192-L306 HydrophobicContact CZ-CD2 3.85Å; F192-L306 HydrophobicContact CZ-CG 3.97Å; L306-Y308 PolarHBondContact O-N 3.31Å; L306-H311 HydrophobicContact CD2-CB 4.08Å; L306-K312 HydrophobicContact CB-CG 4.05Å; L306-K312 HydrophobicContact CD2-CG 4.46Å; L306-K312 WeakPolarHBondContact O-CE 3.45Å; L306-K312 VanDerWaalsContact O-CG 3.3Å; L306-K312 WeakPolarHBondContact O-CG 3.45Å; L306-K312 PolarHBondContact O-NZ 3.5Å; L306-F315 HydrophobicContact CD1-CD1 4.17Å; L306-F315 HydrophobicContact CD1-CE1 4.34Å; L306-F315 HydrophobicContact CD1-CG 4.41Å; L306-F315 HydrophobicContact CD2-CB 3.83Å; L306-F315 HydrophobicContact CD2-CD1 4.46Å; L306-F315 HydrophobicContact CD2-CG 4.05Å
307	N	90.8	Very high	96	Very high	77 Å²	77	11.2 Å²	11.2	41%	0.412	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.7	176.6	-73.8	-19.1	0	0	0	112.4	E122 N305	E122-N307 PolarHBondContact OE1-OD1 3.46Å; N305-N307 VanDerWaalsContact C-N 3.28Å; N305-N307 PolarHBondContact O-N 2.91Å
308	Y	92.7	Very high	96.2	Very high	24 Å²	24	11 Å²	11	9%	0.094	5%	0.053	C	C	.	.	S	Bend	trans	-86.4	136.5	175.8	-173.7	-129.4	0	0	0	111.6	Y221 L243 P244 W248 L306 L310 H311 K312	Y221-Y308 HydrophobicContact CD1-CE1 4.1Å; Y221-Y308 HydrophobicContact CD2-CE1 4.41Å; Y221-Y308 HydrophobicContact CE1-CE1 4.02Å; Y221-Y308 HydrophobicContact CE2-CE1 4.4Å; Y221-Y308 HydrophobicContact CG-CE1 4.21Å; L243-Y308 HydrophobicContact CD2-CD1 3.72Å; L243-Y308 HydrophobicContact CD2-CD2 4.31Å; L243-Y308 HydrophobicContact CD2-CE1 3.54Å; L243-Y308 HydrophobicContact CD2-CE2 4.19Å; L243-Y308 HydrophobicContact CD2-CG 4.1Å; P244-Y308 HydrophobicContact CG-CD2 4.33Å; W248-Y308 HydrophobicContact CH2-CD1 4.08Å; W248-Y308 HydrophobicContact CH2-CG 4.31Å; L306-Y308 PolarHBondContact O-N 3.31Å; Y308-L310 HydrophobicContact CD1-CB 3.97Å; Y308-L310 HydrophobicContact CE1-CB 3.58Å; Y308-L310 HydrophobicContact CE1-CD1 3.92Å; Y308-L310 HydrophobicContact CE1-CG 4.11Å; Y308-L310 PolarHBondContact O-N 3.03Å; Y308-H311 WeakPolarHBondContact O-CB 3.35Å; Y308-H311 PolarHBondContact O-N 3.4Å; Y308-K312 PolarHBondContact O-N 3.13Å
309	W	92.5	Very high	96.2	Very high	24 Å²	24	10.1 Å²	10.1	9%	0.091	5%	0.049	C	C	.	.	H	α-helix	trans	-69.3	-33.6	-170.1	70.3	-95.6	0	0	0	113.7	H311 K312 L313 G532 F536 F570 W574	W309-H311 VanDerWaalsContact C-N 3.3Å; W309-H311 PolarHBondContact O-N 3.46Å; W309-K312 WeakPolarHBondContact O-CB 3.46Å; W309-K312 PolarHBondContact O-N 3.13Å; W309-K312 VanDerWaalsContact O-N 3.15Å; W309-L313 HydrophobicContact CZ3-CD2 4.08Å; W309-L313 PolarHBondContact O-N 3.43Å; W309-G532 WeakPolarHBondContact CB-O 3.38Å; W309-F536 HydrophobicContact CE3-CE1 4.24Å; W309-F570 HydrophobicContact CD2-CZ 4.44Å; W309-F570 HydrophobicContact CE3-CZ 4.35Å; W309-F570 HydrophobicContact CH2-CE1 4.44Å; W309-F570 AromaticContact CH2-CZ 3.78Å; W309-F570 HydrophobicContact CH2-CZ 3.78Å; W309-F570 AromaticContact CZ2-CZ 3.87Å; W309-F570 HydrophobicContact CZ2-CZ 3.87Å; W309-F570 HydrophobicContact CZ3-CE1 4.27Å; W309-F570 HydrophobicContact CZ3-CZ 4.02Å; W309-W574 HydrophobicContact CH2-CB 4.19Å; W309-W574 AromaticContact CH2-CD2 3.5Å; W309-W574 HydrophobicContact CH2-CD2 3.5Å; W309-W574 VanDerWaalsContact CH2-CD2 3.5Å; W309-W574 AromaticContact CH2-CE2 3.84Å; W309-W574 AromaticContact CH2-CE3 3.76Å; W309-W574 HydrophobicContact CH2-CE3 3.76Å; W309-W574 AromaticContact CH2-CG 3.67Å; W309-W574 HydrophobicContact CH2-CG 3.67Å; W309-W574 HydrophobicContact CH2-CZ2 4.41Å; W309-W574 HydrophobicContact CH2-CZ3 4.32Å; W309-W574 HydrophobicContact CZ2-CD2 4.31Å; W309-W574 HydrophobicContact CZ2-CZ2 4.46Å; W309-W574 HydrophobicContact CZ3-CB 4.27Å; W309-W574 HydrophobicContact CZ3-CD2 4.4Å; W309-W574 HydrophobicContact CZ3-CG 4.23Å
310	L	93.4	Very high	96.2	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-67.5	-31.5	174.7	-80.2	174.1	0	0	0	112.2	Y221 I223 Y308 K312 L313 V314 W574	Y221-L310 HydrophobicContact CD1-CD1 3.41Å; Y221-L310 VanDerWaalsContact CD1-CD1 3.41Å; Y221-L310 HydrophobicContact CE1-CB 4.23Å; Y221-L310 HydrophobicContact CE1-CD1 3.84Å; Y221-L310 HydrophobicContact CG-CD1 4.36Å; I223-L310 HydrophobicContact CD1-CD2 3.95Å; I223-L310 HydrophobicContact CG1-CD2 4.43Å; Y308-L310 HydrophobicContact CD1-CB 3.97Å; Y308-L310 HydrophobicContact CE1-CB 3.58Å; Y308-L310 HydrophobicContact CE1-CD1 3.92Å; Y308-L310 HydrophobicContact CE1-CG 4.11Å; Y308-L310 PolarHBondContact O-N 3.03Å; L310-K312 VanDerWaalsContact C-N 3.31Å; L310-K312 PolarHBondContact O-N 2.93Å; L310-L313 HydrophobicContact CD2-CD2 4.15Å; L310-L313 PolarHBondContact O-N 3.15Å; L310-V314 WeakPolarHBondContact O-CB 3.29Å; L310-V314 PolarHBondContact O-N 2.78Å; L310-W574 HydrophobicContact CD2-CE3 4.24Å; L310-W574 HydrophobicContact CD2-CZ3 4.44Å
311	H	95.8	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-42.1	171.2	-79.2	-162.4	0	0	0	110.9	Y221 W248 F302 N304 N305 L306 Y308 W309 L313 F315	Y221-H311 PolarHBondContact OH-NE2 3.05Å; W248-H311 AromaticContact CH2-CE1 3.5Å; W248-H311 VanDerWaalsContact CH2-CE1 3.5Å; W248-H311 WeakPolarHBondContact CH2-CE1 3.16Å; W248-H311 AromaticContact CH2-NE2 3.62Å; W248-H311 AromaticContact CZ3-CE1 3.26Å; W248-H311 WeakPolarHBondContact CZ3-CE1 3.23Å; W248-H311 AromaticContact CZ3-NE2 3.29Å; W248-H311 VanDerWaalsContact CZ3-NE2 3.29Å; W248-H311 WeakPolarHBondContact CZ3-NE2 3.36Å; F302-H311 HydrophobicContact CD1-CB 4.21Å; F302-H311 AromaticContact CD1-CG 3.94Å; F302-H311 HydrophobicContact CE1-CB 4.32Å; N304-H311 PolarHBondContact O-ND1 3.21Å; N305-H311 PolarHBondContact O-ND1 3.36Å; L306-H311 HydrophobicContact CD2-CB 4.08Å; Y308-H311 WeakPolarHBondContact O-CB 3.35Å; Y308-H311 PolarHBondContact O-N 3.4Å; W309-H311 VanDerWaalsContact C-N 3.3Å; W309-H311 PolarHBondContact O-N 3.46Å; H311-L313 VanDerWaalsContact C-N 3.35Å; H311-L313 PolarHBondContact O-N 3.28Å; H311-F315 WeakPolarHBondContact O-CB 3.12Å; H311-F315 PolarHBondContact O-N 3.04Å
312	K	96.5	Very high	96.1	Very high	37 Å²	37	12.4 Å²	12.4	16%	0.161	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-43.3	174.7	-64.7	-179.2	170.8	108.4	0	111.9	I126 L306 Y308 W309 L310 F315 V316 L537	I126-K312 HydrophobicContact CD1-CB 4.46Å; I126-K312 HydrophobicContact CD1-CG 4.34Å; L306-K312 HydrophobicContact CB-CG 4.05Å; L306-K312 HydrophobicContact CD2-CG 4.46Å; L306-K312 WeakPolarHBondContact O-CE 3.45Å; L306-K312 VanDerWaalsContact O-CG 3.3Å; L306-K312 WeakPolarHBondContact O-CG 3.45Å; L306-K312 PolarHBondContact O-NZ 3.5Å; Y308-K312 PolarHBondContact O-N 3.13Å; W309-K312 WeakPolarHBondContact O-CB 3.46Å; W309-K312 PolarHBondContact O-N 3.13Å; W309-K312 VanDerWaalsContact O-N 3.15Å; L310-K312 VanDerWaalsContact C-N 3.31Å; L310-K312 PolarHBondContact O-N 2.93Å; K312-F315 PolarHBondContact O-N 2.84Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 3.29Å; K312-L537 HydrophobicContact CB-CD2 4.01Å; K312-L537 HydrophobicContact CD-CD1 3.57Å; K312-L537 HydrophobicContact CD-CD2 3.79Å; K312-L537 HydrophobicContact CD-CG 4.3Å
313	L	95.6	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-49.8	179.4	-174.6	58.7	0	0	0	111.9	I232 T233 W309 L310 H311 F315 V316 D317 F536 L540 T575	I232-L313 HydrophobicContact CG2-CD1 3.97Å; T233-L313 HydrophobicContact CG2-CD2 3.94Å; T233-L313 HydrophobicContact CG2-CG 4.29Å; T233-L313 WeakPolarHBondContact OG1-CG 3.25Å; W309-L313 HydrophobicContact CZ3-CD2 4.08Å; W309-L313 PolarHBondContact O-N 3.43Å; L310-L313 HydrophobicContact CD2-CD2 4.15Å; L310-L313 PolarHBondContact O-N 3.15Å; H311-L313 VanDerWaalsContact C-N 3.35Å; H311-L313 PolarHBondContact O-N 3.28Å; L313-F315 VanDerWaalsContact C-N 3.3Å; L313-F315 PolarHBondContact O-N 2.84Å; L313-V316 PolarHBondContact O-N 3.34Å; L313-D317 PolarHBondContact O-N 3.31Å; L313-F536 HydrophobicContact CD1-CZ 4.17Å; L313-F536 HydrophobicContact CD2-CZ 4.34Å; L313-L540 HydrophobicContact CD1-CD1 3.5Å; L313-L540 VanDerWaalsContact CD1-CD1 3.5Å; L313-L540 HydrophobicContact CD1-CD2 3.87Å; L313-L540 HydrophobicContact CD1-CG 4.34Å; L313-T575 HydrophobicContact CD1-CG2 4.13Å; L313-T575 HydrophobicContact CD2-CG2 4.29Å
314	V	97.3	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.8	-29.7	177.5	169.5	0	0	0	0	112.3	L229 T233 V261 L262 V287 F302 L310 V316 D317 A318	L229-V314 HydrophobicContact CD1-CG1 4.11Å; T233-V314 HydrophobicContact CG2-CG2 4.4Å; V261-V314 HydrophobicContact CG1-CG1 3.74Å; V261-V314 HydrophobicContact CG1-CG2 4.41Å; L262-V314 HydrophobicContact CD1-CB 4Å; L262-V314 HydrophobicContact CD1-CG1 4.26Å; L262-V314 HydrophobicContact CD1-CG2 3.65Å; L262-V314 HydrophobicContact CD2-CG2 3.8Å; L262-V314 HydrophobicContact CG-CG2 3.95Å; V287-V314 HydrophobicContact CG1-CG1 4.16Å; F302-V314 HydrophobicContact CE1-CB 4.31Å; F302-V314 HydrophobicContact CE1-CG1 4.02Å; F302-V314 HydrophobicContact CZ-CG1 3.94Å; L310-V314 WeakPolarHBondContact O-CB 3.29Å; L310-V314 PolarHBondContact O-N 2.78Å; V314-V316 VanDerWaalsContact C-N 3.35Å; V314-D317 PolarHBondContact O-N 3.15Å; V314-A318 WeakPolarHBondContact O-CB 3.18Å; V314-A318 PolarHBondContact O-N 3.01Å
315	F	98.4	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-40.6	173.8	175.4	-110.1	0	0	0	112.3	I123 I126 I160 I190 F192 F302 L306 H311 K312 L313 D317 A318 I319	I123-F315 HydrophobicContact CB-CZ 4.48Å; I123-F315 HydrophobicContact CG1-CZ 4.2Å; I123-F315 HydrophobicContact CG2-CZ 4.01Å; I126-F315 HydrophobicContact CB-CE1 4.14Å; I126-F315 HydrophobicContact CD1-CD1 3.71Å; I126-F315 HydrophobicContact CD1-CE1 4Å; I126-F315 HydrophobicContact CG2-CD1 4.06Å; I126-F315 HydrophobicContact CG2-CE1 3.89Å; I160-F315 HydrophobicContact CD1-CE2 3.96Å; I160-F315 HydrophobicContact CD1-CZ 3.81Å; I190-F315 HydrophobicContact CD1-CD2 4.14Å; I190-F315 HydrophobicContact CD1-CE2 3.88Å; I190-F315 HydrophobicContact CG2-CD2 4.2Å; I190-F315 HydrophobicContact CG2-CE2 4.1Å; F192-F315 HydrophobicContact CE2-CD2 4.3Å; F192-F315 HydrophobicContact CE2-CE2 4.07Å; F192-F315 AromaticContact CZ-CD2 3.71Å; F192-F315 HydrophobicContact CZ-CD2 3.71Å; F192-F315 AromaticContact CZ-CE2 3.9Å; F192-F315 HydrophobicContact CZ-CE2 3.9Å; F192-F315 HydrophobicContact CZ-CG 4.49Å; F302-F315 HydrophobicContact CE1-CB 4.4Å; F302-F315 HydrophobicContact CE2-CD2 4.39Å; F302-F315 HydrophobicContact CZ-CB 3.98Å; F302-F315 HydrophobicContact CZ-CD2 4.48Å; L306-F315 HydrophobicContact CD1-CD1 4.17Å; L306-F315 HydrophobicContact CD1-CE1 4.34Å; L306-F315 HydrophobicContact CD1-CG 4.41Å; L306-F315 HydrophobicContact CD2-CB 3.83Å; L306-F315 HydrophobicContact CD2-CD1 4.46Å; L306-F315 HydrophobicContact CD2-CG 4.05Å; H311-F315 WeakPolarHBondContact O-CB 3.12Å; H311-F315 PolarHBondContact O-N 3.04Å; K312-F315 PolarHBondContact O-N 2.84Å; L313-F315 VanDerWaalsContact C-N 3.3Å; L313-F315 PolarHBondContact O-N 2.84Å; F315-D317 VanDerWaalsContact C-N 3.34Å; F315-A318 PolarHBondContact O-N 3.32Å; F315-I319 HydrophobicContact CD1-CD1 4.08Å; F315-I319 HydrophobicContact CE1-CD1 3.58Å; F315-I319 HydrophobicContact CE2-CD1 4.26Å; F315-I319 HydrophobicContact CE2-CG1 4.38Å; F315-I319 HydrophobicContact CZ-CD1 3.68Å; F315-I319 HydrophobicContact CZ-CG1 4.26Å; F315-I319 WeakPolarHBondContact O-CG1 3.28Å; F315-I319 PolarHBondContact O-N 3.21Å
316	V	97.9	Very high	95.7	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-42.1	174.6	179.8	0	0	0	0	110.9	I126 I232 K312 L313 V314 I319 G320 L540 L541	I126-V316 HydrophobicContact CG2-CG2 4.13Å; I232-V316 HydrophobicContact CD1-CG1 3.64Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 3.29Å; L313-V316 PolarHBondContact O-N 3.34Å; V314-V316 VanDerWaalsContact C-N 3.35Å; V316-I319 PolarHBondContact O-N 2.87Å; V316-G320 PolarHBondContact O-N 3.09Å; V316-G320 VanDerWaalsContact O-N 3.14Å; V316-L540 HydrophobicContact CG2-CD2 4.23Å; V316-L541 HydrophobicContact CG2-CD2 3.79Å
317	D	97.9	Very high	95.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-39.6	174.9	-85.7	-9.6	0	0	0	112.6	L229 Y231 I232 T233 L313 V314 F315 I319 G320 Y321	L229-D317 HydrophobicContact CD1-CB 3.69Å; Y231-D317 PolarHBondContact N-OD1 3.43Å; Y231-D317 PolarHBondContact N-OD2 3.1Å; Y231-D317 VanDerWaalsContact N-OD2 3.08Å; I232-D317 VanDerWaalsContact CB-OD1 3.31Å; I232-D317 WeakPolarHBondContact CB-OD1 3.39Å; I232-D317 PolarHBondContact N-OD1 2.95Å; I232-D317 PolarHBondContact N-OD2 2.82Å; T233-D317 WeakPolarHBondContact CB-OD2 3.5Å; T233-D317 PolarHBondContact N-OD2 3.41Å; T233-D317 PolarHBondContact OG1-OD2 2.66Å; L313-D317 PolarHBondContact O-N 3.31Å; V314-D317 PolarHBondContact O-N 3.15Å; F315-D317 VanDerWaalsContact C-N 3.34Å; D317-I319 PolarHBondContact O-N 3.42Å; D317-G320 PolarHBondContact O-N 2.86Å; D317-Y321 VanDerWaalsContact O-CB 3.3Å; D317-Y321 WeakPolarHBondContact O-CB 3.43Å; D317-Y321 PolarHBondContact O-N 3.27Å
318	A	98.4	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-41.5	176.9	0	0	0	0	0	112.1	I190 V300 V314 F315 L322	I190-A318 HydrophobicContact CD1-CB 3.86Å; I190-A318 HydrophobicContact CG1-CB 4.39Å; V300-A318 HydrophobicContact CB-CB 4Å; V300-A318 HydrophobicContact CG1-CB 3.97Å; V300-A318 HydrophobicContact CG2-CB 3.92Å; V314-A318 WeakPolarHBondContact O-CB 3.18Å; V314-A318 PolarHBondContact O-N 3.01Å; F315-A318 PolarHBondContact O-N 3.32Å; A318-L322 VanDerWaalsContact O-CB 3.3Å; A318-L322 WeakPolarHBondContact O-CB 3.48Å; A318-L322 WeakPolarHBondContact O-CG 3.3Å; A318-L322 PolarHBondContact O-N 2.76Å
319	I	98.4	Very high	96	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-49.5	173.6	-65.1	164.9	0	0	0	109.9	L127 F132 L158 I190 F315 V316 D317 Y321 T323 L327	L127-I319 HydrophobicContact CD2-CD1 3.8Å; F132-I319 HydrophobicContact CD2-CG2 4.23Å; F132-I319 HydrophobicContact CE2-CG2 4.05Å; L158-I319 HydrophobicContact CD2-CB 4.2Å; L158-I319 HydrophobicContact CD2-CG1 3.9Å; L158-I319 HydrophobicContact CD2-CG2 3.97Å; I190-I319 HydrophobicContact CD1-CG1 3.87Å; F315-I319 HydrophobicContact CD1-CD1 4.08Å; F315-I319 HydrophobicContact CE1-CD1 3.58Å; F315-I319 HydrophobicContact CE2-CD1 4.26Å; F315-I319 HydrophobicContact CE2-CG1 4.38Å; F315-I319 HydrophobicContact CZ-CD1 3.68Å; F315-I319 HydrophobicContact CZ-CG1 4.26Å; F315-I319 WeakPolarHBondContact O-CG1 3.28Å; F315-I319 PolarHBondContact O-N 3.21Å; V316-I319 PolarHBondContact O-N 2.87Å; D317-I319 PolarHBondContact O-N 3.42Å; I319-Y321 PolarHBondContact O-N 2.95Å; I319-T323 WeakPolarHBondContact O-CB 3.25Å; I319-T323 WeakPolarHBondContact O-CG2 3.4Å; I319-T323 PolarHBondContact O-N 3.17Å; I319-T323 VanDerWaalsContact O-N 3.16Å; I319-T323 PolarHBondContact O-OG1 2.72Å; I319-L327 HydrophobicContact CG2-CB 3.78Å; I319-L327 WeakPolarHBondContact CG2-O 3.26Å
320	G	97	Very high	96.1	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-44.5	-179.7	0	0	0	0	0	112.2	V316 D317 T323 G324 K325	V316-G320 PolarHBondContact O-N 3.09Å; V316-G320 VanDerWaalsContact O-N 3.14Å; D317-G320 PolarHBondContact O-N 2.86Å; G320-T323 PolarHBondContact O-OG1 3.14Å; G320-G324 PolarHBondContact O-N 3.16Å; G320-K325 VanDerWaalsContact O-CA 3.31Å; G320-K325 WeakPolarHBondContact O-CA 3.39Å; G320-K325 PolarHBondContact O-N 3.46Å
321	Y	96.8	Very high	96.3	Very high	51 Å²	51	24.6 Å²	24.6	20%	0.2	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-55.2	178.9	-179.6	-95.7	0	0	0	112	I99 P228 L229 Q289 D317 I319 T323 G324	I99-Y321 HydrophobicContact CD1-CE1 4.39Å; I99-Y321 VanDerWaalsContact CD1-O 3.25Å; I99-Y321 WeakPolarHBondContact CD1-O 3.42Å; P228-Y321 HydrophobicContact CB-CE2 4.28Å; L229-Y321 VanDerWaalsContact CA-CD2 3.48Å; L229-Y321 HydrophobicContact CB-CD1 4.08Å; L229-Y321 HydrophobicContact CB-CD2 3.88Å; L229-Y321 HydrophobicContact CB-CG 3.6Å; Q289-Y321 PolarHBondContact NE2-OH 3.25Å; D317-Y321 VanDerWaalsContact O-CB 3.3Å; D317-Y321 WeakPolarHBondContact O-CB 3.43Å; D317-Y321 PolarHBondContact O-N 3.27Å; I319-Y321 PolarHBondContact O-N 2.95Å; Y321-T323 PolarHBondContact O-N 3.1Å; Y321-T323 VanDerWaalsContact O-N 3.1Å; Y321-G324 PolarHBondContact O-N 3.46Å; Y321-G324 VanDerWaalsContact O-N 3.09Å
322	L	97.5	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.3	-10.3	-175.6	-68.6	176.7	0	0	0	113.9	I99 L158 I190 Q298 V300 A318	I99-L322 HydrophobicContact CD1-CD2 4.35Å; L158-L322 HydrophobicContact CD1-CB 3.65Å; L158-L322 HydrophobicContact CD1-CD1 3.98Å; I190-L322 HydrophobicContact CD1-CD1 4.32Å; I190-L322 HydrophobicContact CG1-CD1 3.54Å; Q298-L322 HydrophobicContact CB-CD2 3.72Å; V300-L322 HydrophobicContact CB-CD1 4.4Å; V300-L322 HydrophobicContact CG2-CD1 3.99Å; V300-L322 HydrophobicContact CG2-CG 4.27Å; A318-L322 VanDerWaalsContact O-CB 3.3Å; A318-L322 WeakPolarHBondContact O-CB 3.48Å; A318-L322 WeakPolarHBondContact O-CG 3.3Å; A318-L322 PolarHBondContact O-N 2.76Å
323	T	96.7	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.2	174.9	63	0	0	0	0	114.5	N101 A157 L158 I319 G320 Y321 K325 R326 L327	N101-T323 VanDerWaalsContact ND2-C 3.25Å; N101-T323 VanDerWaalsContact ND2-CA 3.29Å; N101-T323 WeakPolarHBondContact ND2-CA 3.24Å; N101-T323 PolarHBondContact ND2-O 2.95Å; A157-T323 HydrophobicContact CB-CG2 4.46Å; L158-T323 HydrophobicContact CB-CG2 3.81Å; L158-T323 HydrophobicContact CD1-CG2 4.45Å; L158-T323 HydrophobicContact CD2-CG2 4.29Å; L158-T323 HydrophobicContact CG-CG2 4.43Å; I319-T323 WeakPolarHBondContact O-CB 3.25Å; I319-T323 WeakPolarHBondContact O-CG2 3.4Å; I319-T323 PolarHBondContact O-N 3.17Å; I319-T323 VanDerWaalsContact O-N 3.16Å; I319-T323 PolarHBondContact O-OG1 2.72Å; G320-T323 PolarHBondContact O-OG1 3.14Å; Y321-T323 PolarHBondContact O-N 3.1Å; Y321-T323 VanDerWaalsContact O-N 3.1Å; T323-K325 PolarHBondContact O-N 2.9Å; T323-R326 WeakPolarHBondContact O-CB 3.37Å; T323-R326 WeakPolarHBondContact O-CG 3.4Å; T323-R326 PolarHBondContact O-N 2.91Å; T323-R326 VanDerWaalsContact O-N 3.14Å; T323-L327 HydrophobicContact CG2-CB 4.09Å; T323-L327 HydrophobicContact CG2-CD1 3.96Å; T323-L327 HydrophobicContact CG2-CG 4.16Å; T323-L327 PolarHBondContact OG1-N 3.44Å; T323-L327 VanDerWaalsContact OG1-N 3.14Å
324	G	93.6	Very high	96.6	Very high	43 Å²	43	25 Å²	25	44%	0.443	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	32.4	-176	0	0	0	0	0	112.2	G320 Y321 R326	G320-G324 PolarHBondContact O-N 3.16Å; Y321-G324 PolarHBondContact O-N 3.46Å; Y321-G324 VanDerWaalsContact O-N 3.09Å; G324-R326 PolarHBondContact O-N 2.78Å
325	K	93.4	Very high	96.7	Very high	124 Å²	124	25.3 Å²	25.3	54%	0.539	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	15.1	-175.7	-55.1	-177.4	-180	-177.8	0	115.8	G320 T323 L327 C328	G320-K325 VanDerWaalsContact O-CA 3.31Å; G320-K325 WeakPolarHBondContact O-CA 3.39Å; G320-K325 PolarHBondContact O-N 3.46Å; T323-K325 PolarHBondContact O-N 2.9Å; K325-L327 VanDerWaalsContact C-N 3.35Å; K325-C328 HydrophobicContact CB-CB 3.96Å; K325-C328 HydrophobicContact CG-CB 4.5Å; K325-C328 WeakPolarHBondContact O-CB 3.32Å
326	R	94	Very high	96.6	Very high	94 Å²	94	25.3 Å²	25.3	36%	0.355	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-33.1	172	-68.6	179.6	67.6	-154.5	-0.8	112.8	N101 T104 T323 G324	N101-R326 PolarHBondContact O-NH1 3.14Å; N101-R326 WeakPolarHBondContact OD1-CD 3.29Å; N101-R326 PolarHBondContact OD1-NH1 2.82Å; T104-R326 VanDerWaalsContact O-CZ 3.31Å; T104-R326 PolarHBondContact O-NH1 2.76Å; T104-R326 PolarHBondContact O-NH2 2.89Å; T104-R326 PolarHBondContact OG1-NH1 3.44Å; T323-R326 WeakPolarHBondContact O-CB 3.37Å; T323-R326 WeakPolarHBondContact O-CG 3.4Å; T323-R326 PolarHBondContact O-N 2.91Å; T323-R326 VanDerWaalsContact O-N 3.14Å; G324-R326 PolarHBondContact O-N 2.78Å
327	L	95.5	Very high	96.7	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.047	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	69.8	170.8	-63.5	-178.9	0	0	0	109	P106 V108 F132 I319 T323 K325	P106-L327 HydrophobicContact CB-CD2 3.99Å; V108-L327 HydrophobicContact CG2-CD1 3.4Å; F132-L327 HydrophobicContact CB-CD2 4.29Å; F132-L327 HydrophobicContact CD1-CB 4.43Å; F132-L327 HydrophobicContact CD1-CD2 3.96Å; F132-L327 HydrophobicContact CD2-CB 4.17Å; F132-L327 HydrophobicContact CE1-CB 4.4Å; F132-L327 HydrophobicContact CE2-CB 4.12Å; F132-L327 HydrophobicContact CG-CB 4.34Å; F132-L327 HydrophobicContact CG-CD2 4.08Å; F132-L327 HydrophobicContact CZ-CB 4.25Å; F132-L327 WeakPolarHBondContact CZ-O 3.05Å; I319-L327 HydrophobicContact CG2-CB 3.78Å; I319-L327 WeakPolarHBondContact CG2-O 3.26Å; T323-L327 HydrophobicContact CG2-CB 4.09Å; T323-L327 HydrophobicContact CG2-CD1 3.96Å; T323-L327 HydrophobicContact CG2-CG 4.16Å; T323-L327 PolarHBondContact OG1-N 3.44Å; T323-L327 VanDerWaalsContact OG1-N 3.14Å; K325-L327 VanDerWaalsContact C-N 3.35Å
328	C	95.2	Very high	96.7	Very high	33 Å²	33	24.8 Å²	24.8	22%	0.223	13%	0.133	C	C	.	.			trans	-143.7	134	-178.1	-171.1	0	0	0	0	110.6	Y231 K325	Y231-C328 VanDerWaalsContact CD1-SG 3.57Å; Y231-C328 WeakPolarHBondContact CE1-SG 3.39Å; K325-C328 HydrophobicContact CB-CB 3.96Å; K325-C328 HydrophobicContact CG-CB 4.5Å; K325-C328 WeakPolarHBondContact O-CB 3.32Å
329	L	94.3	Very high	96.7	Very high	20 Å²	20	24.8 Å²	24.8	11%	0.105	13%	0.134	C	C	.	.			trans	-79.7	152.8	170.9	-59.6	177.5	0	0	0	109.8	F132 L541 P543	F132-L329 HydrophobicContact CE1-CD2 4.3Å; F132-L329 HydrophobicContact CZ-CD2 4.42Å; F132-L329 HydrophobicContact CZ-CG 4.27Å; L329-L541 VanDerWaalsContact CD1-O 3.3Å; L329-L541 WeakPolarHBondContact CD1-O 3.31Å; L329-P543 HydrophobicContact CD2-CG 4.24Å
330	S	95.3	Very high	96.7	Very high	59 Å²	59	24.9 Å²	24.9	41%	0.413	13%	0.134	S	C	.	.			trans	-57.7	163.9	170.5	178.4	0	0	0	0	111	D332 R333	S330-D332 VanDerWaalsContact C-N 3.28Å; S330-D332 PolarHBondContact OG-N 2.62Å; S330-D332 PolarHBondContact OG-OD2 2.88Å; S330-R333 PolarHBondContact O-NH1 3.33Å; S330-R333 PolarHBondContact O-NH2 3.27Å
331	L	97.6	Very high	96.7	Very high	29 Å²	29	25.8 Å²	25.8	15%	0.152	14%	0.138	C	C	.	.	S	Bend	trans	-76	-16.6	168.2	-64.1	177.9	0	0	0	112.9	Y231 I232 N576 L577 R578	Y231-L331 HydrophobicContact CD1-CD2 4.15Å; Y231-L331 HydrophobicContact CE1-CD2 3.74Å; Y231-L331 HydrophobicContact CE1-CG 4.08Å; Y231-L331 HydrophobicContact CE2-CD1 4Å; Y231-L331 HydrophobicContact CE2-CD2 4.18Å; Y231-L331 HydrophobicContact CE2-CG 4.06Å; I232-L331 HydrophobicContact CG1-CD2 3.98Å; L331-N576 HydrophobicContact CD1-CB 4.4Å; L331-N576 HydrophobicContact CD2-CB 4.39Å; L331-L577 HydrophobicContact CD2-CD2 4.33Å; L331-L577 CarbonylContact O-C 3.37Å; L331-L577 WeakPolarHBondContact O-CA 3.28Å; L331-L577 WeakPolarHBondContact O-CD2 3.25Å; L331-R578 PolarHBondContact O-N 3.21Å
332	D	97.8	Very high	96.7	Very high	40 Å²	40	23.4 Å²	23.4	21%	0.214	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.1	-177.6	-60.1	-37.5	0	0	0	111.6	S330 R578	S330-D332 VanDerWaalsContact C-N 3.28Å; S330-D332 PolarHBondContact OG-N 2.62Å; S330-D332 PolarHBondContact OG-OD2 2.88Å; D332-R578 VanDerWaalsContact CG-NH2 3.26Å; D332-R578 IonicContact OD1-CZ 2.73Å; D332-R578 IonicContact OD1-NE 2.95Å; D332-R578 PolarHBondContact OD1-NE 3.46Å; D332-R578 IonicContact OD1-NH2 3.67Å; D332-R578 PolarHBondContact OD1-NH2 3.22Å; D332-R578 IonicContact OD2-NH2 3.43Å; D332-R578 PolarHBondContact OD2-NH2 3.01Å; D332-R578 VanDerWaalsContact OD2-NH2 3.11Å
333	R	98	Very high	96.7	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.2	175.3	-66	-64.5	177.1	-78.4	-2.4	109.8	S330 V539 L540 N542 P543 L577 R578 L579 Q580	S330-R333 PolarHBondContact O-NH1 3.33Å; S330-R333 PolarHBondContact O-NH2 3.27Å; R333-V539 WeakPolarHBondContact CD-O 3.48Å; R333-V539 HydrophobicContact CG-CG1 4.25Å; R333-V539 PolarHBondContact NE-O 3.19Å; R333-L540 PolarHBondContact NE-O 2.73Å; R333-L540 PolarHBondContact NH2-O 2.84Å; R333-N542 WeakPolarHBondContact CD-O 3.44Å; R333-P543 WeakPolarHBondContact CA-O 3.38Å; R333-L577 HydrophobicContact CG-CB 4.2Å; R333-L577 HydrophobicContact CG-CD1 4.05Å; R333-L577 HydrophobicContact CG-CD2 4.19Å; R333-L577 HydrophobicContact CG-CG 4.37Å; R333-R578 PolarHBondContact N-O 3.39Å; R333-L579 HydrophobicContact CB-CD2 3.53Å; R333-L579 HydrophobicContact CG-CD2 4.09Å; R333-L579 CarbonylContact O-C 3.59Å; R333-L579 WeakPolarHBondContact O-CA 3.41Å; R333-Q580 PolarHBondContact O-N 3.45Å
334	H	98.4	Very high	96.6	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.8	176.5	-53.1	73	0	0	0	109.3	P543 I544 S545 Q580 L582 L587	H334-P543 PolarHBondContact N-O 3.07Å; H334-P543 PolarHBondContact ND1-O 3.13Å; H334-I544 HydrophobicContact CB-CG1 4.06Å; H334-I544 CarbonylContact O-C 3.53Å; H334-I544 WeakPolarHBondContact O-CA 3.47Å; H334-S545 PolarHBondContact O-N 2.7Å; H334-Q580 CarbonylContact C-O 3.57Å; H334-Q580 WeakPolarHBondContact CA-O 3.19Å; H334-Q580 PolarHBondContact CD2-NE2 2.93Å; H334-Q580 PolarHBondContact CE1-NE2 3.01Å; H334-Q580 PolarHBondContact NE2-NE2 2.67Å; H334-L582 WeakPolarHBondContact CD2-CD1 3.47Å; H334-L587 HydrophobicContact CB-CD1 3.47Å; H334-L587 VanDerWaalsContact CB-CD1 3.47Å
335	I	97.9	Very high	96.2	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.5	-180	-59.2	178.1	0	0	0	108.9	V337 V539 S545 F547 L579 Q580 T581	I335-V337 HydrophobicContact CG2-CG2 4.36Å; I335-V539 HydrophobicContact CD1-CG1 4.08Å; I335-V539 HydrophobicContact CD1-CG2 4.03Å; I335-S545 WeakPolarHBondContact CA-O 3.43Å; I335-F547 HydrophobicContact CG2-CD2 3.92Å; I335-F547 HydrophobicContact CG2-CE2 3.93Å; I335-L579 HydrophobicContact CD1-CD1 4.07Å; I335-L579 HydrophobicContact CD1-CD2 3.84Å; I335-L579 HydrophobicContact CD1-CG 4.41Å; I335-Q580 PolarHBondContact N-O 3.29Å; I335-T581 WeakPolarHBondContact O-CB 3.31Å; I335-T581 WeakPolarHBondContact O-CG2 3.22Å; I335-T581 PolarHBondContact O-OG1 3.25Å
336	L	98.1	Very high	96	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.6	169.7	-179.1	66.9	0	0	0	108.2	N376 W406 S545 I546 F547 T581 P584 L587	L336-N376 HydrophobicContact CD1-CB 4.1Å; L336-W406 HydrophobicContact CD1-CE3 4.12Å; L336-W406 HydrophobicContact CD1-CZ3 3.95Å; L336-S545 PolarHBondContact N-O 3.4Å; L336-I546 HydrophobicContact CB-CG1 4.25Å; L336-I546 HydrophobicContact CB-CG2 4.39Å; L336-I546 HydrophobicContact CD2-CD1 4.49Å; L336-I546 HydrophobicContact CD2-CG1 4.27Å; L336-I546 HydrophobicContact CD2-CG2 4.06Å; L336-I546 HydrophobicContact CG-CG2 4.37Å; L336-I546 CarbonylContact O-C 3.48Å; L336-I546 WeakPolarHBondContact O-CA 2.9Å; L336-F547 PolarHBondContact O-N 3.27Å; L336-T581 HydrophobicContact CD1-CG2 4.34Å; L336-P584 HydrophobicContact CD2-CB 4.49Å; L336-P584 HydrophobicContact CD2-CG 3.95Å; L336-L587 HydrophobicContact CB-CD2 4.17Å; L336-L587 HydrophobicContact CD2-CD2 4.25Å
337	V	98.5	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.7	175.7	-176.9	0	0	0	0	108	I335 F373 F375 N376 T549 Y554 F564	I335-V337 HydrophobicContact CG2-CG2 4.36Å; V337-F373 HydrophobicContact CB-CZ 4.45Å; V337-F373 HydrophobicContact CG2-CE2 4.08Å; V337-F373 HydrophobicContact CG2-CZ 4.08Å; V337-F375 HydrophobicContact CB-CD1 4.03Å; V337-F375 HydrophobicContact CB-CE1 4.15Å; V337-F375 HydrophobicContact CG1-CD1 3.97Å; V337-F375 HydrophobicContact CG1-CE1 3.94Å; V337-N376 PolarHBondContact O-N 2.73Å; V337-N376 VanDerWaalsContact O-N 3.15Å; V337-T549 HydrophobicContact CG1-CG2 4.35Å; V337-Y554 VanDerWaalsContact CG1-OH 3.29Å; V337-Y554 WeakPolarHBondContact CG1-OH 3.48Å; V337-F564 HydrophobicContact CB-CE2 4.38Å; V337-F564 HydrophobicContact CG1-CD2 3.96Å; V337-F564 HydrophobicContact CG1-CE2 3.47Å; V337-F564 VanDerWaalsContact CG1-CE2 3.47Å; V337-F564 HydrophobicContact CG1-CZ 3.92Å; V337-F564 HydrophobicContact CG2-CD1 3.93Å; V337-F564 HydrophobicContact CG2-CD2 4.02Å; V337-F564 HydrophobicContact CG2-CE1 3.84Å; V337-F564 HydrophobicContact CG2-CE2 3.93Å; V337-F564 HydrophobicContact CG2-CG 4.03Å; V337-F564 HydrophobicContact CG2-CZ 3.85Å
338	D	98.4	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	174.7	-77.4	-0.6	0	0	0	108.8	N376 F408 Y448 R504 F547 T549	D338-N376 CarbonylContact C-O 3.59Å; D338-N376 WeakPolarHBondContact CA-O 3.45Å; D338-N376 WeakPolarHBondContact OD1-CB 3.3Å; D338-N376 PolarHBondContact OD1-ND2 2.77Å; D338-F408 HydrophobicContact CB-CE1 4.05Å; D338-F408 HydrophobicContact CB-CZ 4.06Å; D338-Y448 WeakPolarHBondContact OD2-CE1 3.28Å; D338-Y448 PolarHBondContact OD2-OH 3.47Å; D338-R504 IonicContact OD2-CZ 3.88Å; D338-R504 IonicContact OD2-NH1 2.7Å; D338-R504 PolarHBondContact OD2-NH1 3.37Å; D338-R504 IonicContact OD2-NH2 3.11Å; D338-F547 PolarHBondContact N-O 3.04Å; D338-T549 PolarHBondContact O-N 3.48Å; D338-T549 PolarHBondContact O-OG1 3.11Å
339	V	98.4	Very high	95.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	94.9	174.4	-171.3	0	0	0	0	107.5	I342 F375 N376 L377 G378 Y554	V339-I342 HydrophobicContact CB-CD1 4.44Å; V339-I342 HydrophobicContact CG1-CD1 3.84Å; V339-F375 HydrophobicContact CG2-CD1 4.16Å; V339-N376 PolarHBondContact N-O 3.24Å; V339-L377 HydrophobicContact CB-CD2 3.75Å; V339-L377 HydrophobicContact CG1-CD2 4.42Å; V339-L377 HydrophobicContact CG2-CD2 3.89Å; V339-G378 PolarHBondContact O-N 2.84Å; V339-Y554 HydrophobicContact CB-CE2 4.11Å; V339-Y554 HydrophobicContact CG1-CD2 3.65Å; V339-Y554 HydrophobicContact CG1-CE2 3.57Å; V339-Y554 HydrophobicContact CG2-CD2 4.24Å; V339-Y554 HydrophobicContact CG2-CE1 4.46Å; V339-Y554 HydrophobicContact CG2-CE2 3.49Å; V339-Y554 VanDerWaalsContact CG2-CE2 3.49Å
340	D	97.9	Very high	95.3	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	172.1	176.3	-60.2	-25.6	0	0	0	110.6	I342 F408 R504 M548 T549 H550 L551	D340-I342 VanDerWaalsContact C-N 3.3Å; D340-I342 PolarHBondContact O-N 2.66Å; D340-F408 WeakPolarHBondContact OD1-CE2 3.35Å; D340-F408 WeakPolarHBondContact OD1-CZ 3.43Å; D340-R504 IonicContact OD1-CZ 2.8Å; D340-R504 IonicContact OD1-NH2 2.84Å; D340-R504 PolarHBondContact OD1-NH2 3.38Å; D340-R504 IonicContact OD2-CZ 2.77Å; D340-R504 IonicContact OD2-NH2 3.08Å; D340-R504 PolarHBondContact OD2-NH2 2.79Å; D340-M548 WeakPolarHBondContact OD2-CG 3.09Å; D340-T549 PolarHBondContact N-O 3.14Å; D340-H550 CarbonylContact O-C 3.53Å; D340-H550 WeakPolarHBondContact O-CA 3.36Å; D340-L551 PolarHBondContact O-N 3.06Å
341	D	97.1	Very high	95.3	Very high	23 Å²	23	26 Å²	26	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	25.7	170.5	-61.8	-6.2	0	0	0	115.9	F343 V344 G378 H410 H414 H550 L551	D341-F343 PolarHBondContact O-N 2.94Å; D341-V344 HydrophobicContact CB-CB 4.01Å; D341-V344 HydrophobicContact CB-CG2 4.34Å; D341-V344 PolarHBondContact O-N 3.43Å; D341-G378 PolarHBondContact N-O 3.14Å; D341-H410 IonicContact OD1-CD2 3.63Å; D341-H410 PolarHBondContact OD1-CD2 3.38Å; D341-H410 IonicContact OD1-NE2 2.73Å; D341-H410 PolarHBondContact OD1-NE2 2.98Å; D341-H414 IonicContact OD1-CD2 3.59Å; D341-H414 PolarHBondContact OD1-CD2 3.03Å; D341-H414 IonicContact OD1-CE1 3.76Å; D341-H414 IonicContact OD1-NE2 2.99Å; D341-H414 PolarHBondContact OD1-NE2 3.49Å; D341-H550 HydrophobicContact CB-CB 4.49Å; D341-H550 IonicContact OD2-CD2 2.74Å; D341-H550 PolarHBondContact OD2-CD2 3.17Å; D341-L551 WeakPolarHBondContact O-CB 3.24Å
342	I	98.1	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	125.4	171.5	-57.3	-72.9	0	0	0	109	V339 D340 V344 M351 L377 G378 F379 S380 L398 W407 L551	V339-I342 HydrophobicContact CB-CD1 4.44Å; V339-I342 HydrophobicContact CG1-CD1 3.84Å; D340-I342 VanDerWaalsContact C-N 3.3Å; D340-I342 PolarHBondContact O-N 2.66Å; I342-V344 VanDerWaalsContact C-N 3.33Å; I342-V344 PolarHBondContact O-N 3.33Å; I342-M351 HydrophobicContact CD1-CE 3.81Å; I342-L377 HydrophobicContact CD1-CB 4.45Å; I342-L377 HydrophobicContact CD1-CD2 4.06Å; I342-L377 HydrophobicContact CG1-CB 4.01Å; I342-L377 HydrophobicContact CG1-CD2 4.47Å; I342-G378 VanDerWaalsContact CB-O 3.28Å; I342-G378 WeakPolarHBondContact CB-O 3.41Å; I342-G378 WeakPolarHBondContact CG1-O 3.18Å; I342-G378 PolarHBondContact N-O 3.27Å; I342-F379 HydrophobicContact CB-CB 4.06Å; I342-F379 HydrophobicContact CG2-CB 4.27Å; I342-S380 PolarHBondContact O-N 3.29Å; I342-S380 VanDerWaalsContact O-N 3.14Å; I342-L398 HydrophobicContact CG2-CD1 4.25Å; I342-W407 HydrophobicContact CG2-CZ3 4.07Å; I342-L551 HydrophobicContact CD1-CB 4.19Å; I342-L551 HydrophobicContact CD1-CD1 4.2Å
343	F	97.3	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-8.1	-168.7	-45.7	-49.9	0	0	0	117.5	D341 R350 F379 F383 Y384 D395 L398 L399 F436	D341-F343 PolarHBondContact O-N 2.94Å; F343-R350 VanDerWaalsContact O-CZ 3.22Å; F343-R350 PolarHBondContact O-NH1 2.69Å; F343-R350 PolarHBondContact O-NH2 3.2Å; F343-F379 HydrophobicContact CD2-CB 4.27Å; F343-F379 HydrophobicContact CE2-CB 4.25Å; F343-F383 HydrophobicContact CB-CB 4.28Å; F343-F383 CarbonylContact O-C 3.53Å; F343-F383 WeakPolarHBondContact O-CB 3.36Å; F343-Y384 AromaticContact CD1-CD2 3.97Å; F343-Y384 HydrophobicContact CD1-CD2 3.97Å; F343-Y384 AromaticContact CE1-CD2 3.77Å; F343-Y384 HydrophobicContact CE1-CD2 3.77Å; F343-Y384 HydrophobicContact CE1-CE2 4.33Å; F343-Y384 HydrophobicContact CE2-CD2 4.44Å; F343-Y384 HydrophobicContact CG-CD2 4.41Å; F343-Y384 HydrophobicContact CZ-CD2 4.01Å; F343-D395 HydrophobicContact CD1-CB 3.95Å; F343-D395 VanDerWaalsContact CD1-CG 3.42Å; F343-D395 WeakPolarHBondContact CD1-OD1 3.4Å; F343-D395 HydrophobicContact CE1-CB 3.73Å; F343-L398 HydrophobicContact CE1-CD1 4.41Å; F343-L399 HydrophobicContact CE2-CD2 4.5Å; F343-L399 HydrophobicContact CZ-CD1 4.44Å; F343-L399 HydrophobicContact CZ-CD2 3.88Å; F343-L399 HydrophobicContact CZ-CG 4.06Å; F343-F436 HydrophobicContact CD2-CE1 4.38Å; F343-F436 HydrophobicContact CD2-CZ 4.42Å; F343-F436 AromaticContact CE2-CE1 3.89Å; F343-F436 HydrophobicContact CE2-CE1 3.89Å; F343-F436 HydrophobicContact CE2-CZ 4.04Å
344	V	94.4	Very high	95.3	Very high	29 Å²	29	31.8 Å²	31.8	18%	0.176	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-25.1	-172.6	-176	0	0	0	0	113.3	D341 I342 F383 H414	D341-V344 HydrophobicContact CB-CB 4.01Å; D341-V344 HydrophobicContact CB-CG2 4.34Å; D341-V344 PolarHBondContact O-N 3.43Å; I342-V344 VanDerWaalsContact C-N 3.33Å; I342-V344 PolarHBondContact O-N 3.33Å; V344-F383 HydrophobicContact CB-CD2 4.35Å; V344-F383 HydrophobicContact CG1-CD2 4.35Å; V344-F383 HydrophobicContact CG1-CE2 4.27Å; V344-F383 HydrophobicContact CG2-CD2 3.83Å; V344-F383 HydrophobicContact CG2-CE2 4.19Å; V344-H414 HydrophobicContact CG1-CB 4.23Å; V344-H414 HydrophobicContact CG2-CB 4.12Å
345	G	84.6	Confident	95.3	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-50.3	145.7	-171.3	0	0	0	0	0	114.4	R350	G345-R350 WeakPolarHBondContact O-CG 3.38Å; G345-R350 PolarHBondContact O-NH1 3.1Å
346	K	88.4	Confident	95.3	Very high	172 Å²	172	31.5 Å²	31.5	75%	0.748	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-70.2	153.5	175.6	-64.2	-177.8	-179.3	179.8	0	110.5	G348 T349	K346-G348 PolarHBondContact O-N 2.69Å; K346-T349 PolarHBondContact N-OG1 3.31Å; K346-T349 WeakPolarHBondContact O-CB 3.12Å; K346-T349 PolarHBondContact O-N 3.29Å; K346-T349 PolarHBondContact O-OG1 3.46Å
347	E	90.3	Very high	95.3	Very high	145 Å²	145	35.9 Å²	35.9	68%	0.678	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.1	133.5	171.5	-165.4	-171.2	142.2	0	0	111.6	T349 T388	E347-T349 VanDerWaalsContact C-N 3.3Å; E347-T349 PolarHBondContact O-N 2.86Å; E347-T388 HydrophobicContact CG-CG2 3.5Å
348	G	89.3	Confident	95.3	Very high	43 Å²	43	36.5 Å²	36.5	44%	0.443	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-6.9	-176.5	0	0	0	0	0	114.8	K346 E391 N556	K346-G348 PolarHBondContact O-N 2.69Å; G348-E391 VanDerWaalsContact CA-OE1 3.22Å; G348-E391 WeakPolarHBondContact CA-OE1 3.38Å; G348-E391 PolarHBondContact N-OE1 3.48Å; G348-E391 PolarHBondContact N-OE2 2.92Å; G348-N556 PolarHBondContact O-ND2 3.03Å; G348-N556 VanDerWaalsContact O-ND2 3.08Å
349	T	90.6	Very high	95.3	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.202	20%	0.199	C	C	.	.	S	Bend	trans	-116.1	-1.4	178.6	69.7	0	0	0	0	113.3	K346 E347 E391 I514	K346-T349 PolarHBondContact N-OG1 3.31Å; K346-T349 WeakPolarHBondContact O-CB 3.12Å; K346-T349 PolarHBondContact O-N 3.29Å; K346-T349 PolarHBondContact O-OG1 3.46Å; E347-T349 VanDerWaalsContact C-N 3.3Å; E347-T349 PolarHBondContact O-N 2.86Å; T349-E391 PolarHBondContact N-OE1 3.13Å; T349-I514 HydrophobicContact CG2-CD1 3.48Å; T349-I514 VanDerWaalsContact CG2-CD1 3.48Å
350	R	94.1	Very high	95.3	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.204	C	C	.	.	S	Bend	trans	-83.5	163.3	-177	-49.9	171.8	71.1	93.3	-8.7	111.2	F343 G345 F383 T386 E391 D395 L551	F343-R350 VanDerWaalsContact O-CZ 3.22Å; F343-R350 PolarHBondContact O-NH1 2.69Å; F343-R350 PolarHBondContact O-NH2 3.2Å; G345-R350 WeakPolarHBondContact O-CG 3.38Å; G345-R350 PolarHBondContact O-NH1 3.1Å; R350-F383 PolarHBondContact NH2-O 3.39Å; R350-T386 PolarHBondContact NH1-OG1 2.88Å; R350-E391 HydrophobicContact CB-CB 3.91Å; R350-E391 HydrophobicContact CB-CG 3.86Å; R350-E391 WeakPolarHBondContact CB-OE1 3.42Å; R350-E391 WeakPolarHBondContact CD-OE2 3.3Å; R350-E391 PolarHBondContact N-OE1 2.65Å; R350-E391 VanDerWaalsContact N-OE1 3.12Å; R350-D395 IonicContact CZ-OD2 3.57Å; R350-D395 IonicContact NE-OD2 3.61Å; R350-D395 IonicContact NH2-OD1 3.7Å; R350-D395 PolarHBondContact NH2-OD1 3.15Å; R350-D395 IonicContact NH2-OD2 3.89Å; R350-D395 PolarHBondContact NH2-OD2 2.95Å; R350-L551 HydrophobicContact CB-CD2 4.27Å
351	M	96.3	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-74.7	135.4	175.1	-73	-174.8	-79.2	0	0	109.9	I342 D355 V356 L359 L398 L551 Y554	I342-M351 HydrophobicContact CD1-CE 3.81Å; M351-D355 HydrophobicContact CB-CB 3.99Å; M351-D355 HydrophobicContact CG-CB 4.12Å; M351-V356 HydrophobicContact CB-CG2 4.22Å; M351-L359 HydrophobicContact SD-CD2 4.31Å; M351-L398 HydrophobicContact CE-CD1 3.67Å; M351-L398 HydrophobicContact CE-CD2 4.11Å; M351-L398 HydrophobicContact CE-CG 4.45Å; M351-L551 HydrophobicContact CE-CB 4.47Å; M351-L551 HydrophobicContact CE-CD1 3.91Å; M351-L551 HydrophobicContact CE-CG 3.83Å; M351-L551 HydrophobicContact CG-CG 4.44Å; M351-Y554 VanDerWaalsContact SD-CB 3.59Å
352	K	97.6	Very high	95.3	Very high	89 Å²	89	41.1 Å²	41.1	39%	0.387	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-94.2	171.5	168.4	-60.6	173.1	-175.4	-179	0	109.8	S354 D355 V356 E391	K352-S354 PolarHBondContact O-N 3.43Å; K352-D355 PolarHBondContact N-OD2 2.89Å; K352-D355 WeakPolarHBondContact O-CA 3.35Å; K352-D355 WeakPolarHBondContact O-CB 3.5Å; K352-D355 PolarHBondContact O-N 2.95Å; K352-V356 PolarHBondContact O-N 3.35Å; K352-V356 VanDerWaalsContact O-N 3.1Å; K352-E391 HydrophobicContact CG-CG 4.43Å
353	V	98.2	Very high	95.3	Very high	44 Å²	44	41.1 Å²	41.1	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-48.7	-46.7	175.8	178.1	0	0	0	0	112.1	D355 V356 E357 Q393 M397	V353-D355 PolarHBondContact O-N 3.27Å; V353-V356 PolarHBondContact O-N 3.38Å; V353-E357 WeakPolarHBondContact O-CG 3.23Å; V353-E357 PolarHBondContact O-N 3.37Å; V353-Q393 HydrophobicContact CG2-CB 3.79Å; V353-M397 HydrophobicContact CG1-CG 4.32Å; V353-M397 HydrophobicContact CG1-SD 4.5Å
354	S	97.9	Very high	95.3	Very high	57 Å²	57	45.3 Å²	45.3	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-24.6	-179.8	65	0	0	0	0	113.7	K352 A358 R558	K352-S354 PolarHBondContact O-N 3.43Å; S354-A358 WeakPolarHBondContact O-CB 3.32Å; S354-A358 PolarHBondContact O-N 3.01Å; S354-R558 PolarHBondContact O-NH2 3.18Å; S354-R558 PolarHBondContact OG-NH2 2.82Å
355	D	97.9	Very high	95.4	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.032	26%	0.262	C	S	.	.	H	α-helix	trans	-77.8	-40.2	175.7	-60.1	-37.2	0	0	0	110.7	M351 K352 V353 A358 L359 R558	M351-D355 HydrophobicContact CB-CB 3.99Å; M351-D355 HydrophobicContact CG-CB 4.12Å; K352-D355 PolarHBondContact N-OD2 2.89Å; K352-D355 WeakPolarHBondContact O-CA 3.35Å; K352-D355 WeakPolarHBondContact O-CB 3.5Å; K352-D355 PolarHBondContact O-N 2.95Å; V353-D355 PolarHBondContact O-N 3.27Å; D355-A358 WeakPolarHBondContact O-CB 3.37Å; D355-A358 PolarHBondContact O-N 3.25Å; D355-L359 WeakPolarHBondContact O-CB 3.29Å; D355-L359 PolarHBondContact O-N 2.97Å; D355-R558 IonicContact OD1-CZ 2.7Å; D355-R558 IonicContact OD1-NE 3.47Å; D355-R558 PolarHBondContact OD1-NE 3.03Å; D355-R558 IonicContact OD1-NH2 3.49Å; D355-R558 PolarHBondContact OD1-NH2 2.81Å
356	V	98.3	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-41	174.5	-177.1	0	0	0	0	111.1	M351 K352 V353 A358 L359 L360 M397 L398	M351-V356 HydrophobicContact CB-CG2 4.22Å; K352-V356 PolarHBondContact O-N 3.35Å; K352-V356 VanDerWaalsContact O-N 3.1Å; V353-V356 PolarHBondContact O-N 3.38Å; V356-A358 VanDerWaalsContact C-N 3.32Å; V356-A358 PolarHBondContact O-N 3.45Å; V356-L359 WeakPolarHBondContact O-CB 3.49Å; V356-L359 PolarHBondContact O-N 3.17Å; V356-L360 HydrophobicContact CG1-CD1 4.4Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.9Å; V356-M397 HydrophobicContact CB-CB 4.26Å; V356-M397 HydrophobicContact CB-CG 3.86Å; V356-M397 HydrophobicContact CG1-CB 4.18Å; V356-M397 HydrophobicContact CG1-CG 3.65Å; V356-M397 HydrophobicContact CG2-CB 4.35Å; V356-M397 HydrophobicContact CG2-CG 4.49Å; V356-L398 HydrophobicContact CB-CD2 4.47Å; V356-L398 HydrophobicContact CG1-CD2 3.81Å; V356-L398 HydrophobicContact CG1-CG 4.2Å; V356-L398 HydrophobicContact CG2-CD2 3.88Å; V356-L398 HydrophobicContact CG2-CG 3.76Å
357	E	98.4	Very high	96.4	Very high	93 Å²	93	44.8 Å²	44.8	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-43.3	171.7	-72.7	177.4	170.3	0	0	111.7	V353 L359 L360 N361 M397	V353-E357 WeakPolarHBondContact O-CG 3.23Å; V353-E357 PolarHBondContact O-N 3.37Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L360 PolarHBondContact O-N 3.49Å; E357-N361 WeakPolarHBondContact O-CB 3.46Å; E357-N361 PolarHBondContact O-N 3.07Å; E357-N361 PolarHBondContact O-ND2 3.3Å; E357-N361 VanDerWaalsContact O-ND2 3.14Å; E357-M397 HydrophobicContact CG-CE 4.22Å
358	A	98	Very high	96.6	Very high	13 Å²	13	42 Å²	42	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-37.6	176.8	0	0	0	0	0	112.4	S354 D355 V356 N361 T362 R558 L561	S354-A358 WeakPolarHBondContact O-CB 3.32Å; S354-A358 PolarHBondContact O-N 3.01Å; D355-A358 WeakPolarHBondContact O-CB 3.37Å; D355-A358 PolarHBondContact O-N 3.25Å; V356-A358 VanDerWaalsContact C-N 3.32Å; V356-A358 PolarHBondContact O-N 3.45Å; A358-N361 PolarHBondContact O-N 2.82Å; A358-T362 VanDerWaalsContact O-CB 3.3Å; A358-T362 WeakPolarHBondContact O-CB 3.37Å; A358-T362 PolarHBondContact O-N 3.38Å; A358-T362 PolarHBondContact O-OG1 3.47Å; A358-R558 VanDerWaalsContact CB-NH1 3.32Å; A358-L561 HydrophobicContact CB-CD1 3.79Å
359	L	98.1	Very high	96.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-49.3	174.5	-178.8	67.1	0	0	0	111	M351 D355 V356 E357 T362 Q363 F375 L398 F405 Y554 L561	M351-L359 HydrophobicContact SD-CD2 4.31Å; D355-L359 WeakPolarHBondContact O-CB 3.29Å; D355-L359 PolarHBondContact O-N 2.97Å; V356-L359 WeakPolarHBondContact O-CB 3.49Å; V356-L359 PolarHBondContact O-N 3.17Å; E357-L359 VanDerWaalsContact C-N 3.34Å; L359-T362 PolarHBondContact O-N 2.67Å; L359-Q363 WeakPolarHBondContact O-CB 3.46Å; L359-Q363 PolarHBondContact O-N 3.36Å; L359-F375 HydrophobicContact CD1-CD1 4.36Å; L359-F375 HydrophobicContact CD1-CD2 3.43Å; L359-F375 VanDerWaalsContact CD1-CD2 3.43Å; L359-F375 HydrophobicContact CD1-CE1 4.38Å; L359-F375 HydrophobicContact CD1-CE2 3.44Å; L359-F375 VanDerWaalsContact CD1-CE2 3.44Å; L359-F375 HydrophobicContact CD1-CG 3.92Å; L359-F375 HydrophobicContact CD1-CZ 3.94Å; L359-F375 HydrophobicContact CG-CD2 4.11Å; L359-F375 HydrophobicContact CG-CE2 4.35Å; L359-L398 HydrophobicContact CD2-CD2 4.29Å; L359-F405 HydrophobicContact CD2-CE1 3.81Å; L359-F405 HydrophobicContact CD2-CZ 3.74Å; L359-F405 HydrophobicContact CG-CE1 3.93Å; L359-F405 HydrophobicContact CG-CZ 4.07Å; L359-Y554 HydrophobicContact CD1-CD1 3.59Å; L359-Y554 HydrophobicContact CD1-CE1 3.78Å; L359-Y554 HydrophobicContact CD1-CG 4.44Å; L359-L561 HydrophobicContact CD1-CD2 3.73Å
360	L	98.3	Very high	97.3	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-46.1	176.6	-72.1	166.3	0	0	0	112.1	V356 E357 T362 Q363 N364 H401 D404 F405	V356-L360 HydrophobicContact CG1-CD1 4.4Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.9Å; E357-L360 PolarHBondContact O-N 3.49Å; L360-T362 PolarHBondContact O-N 2.91Å; L360-Q363 WeakPolarHBondContact O-CB 3.05Å; L360-Q363 PolarHBondContact O-N 3.49Å; L360-N364 PolarHBondContact O-N 3.13Å; L360-N364 PolarHBondContact O-ND2 2.79Å; L360-H401 HydrophobicContact CD1-CB 4.18Å; L360-H401 HydrophobicContact CD2-CB 4.32Å; L360-D404 HydrophobicContact CD2-CB 3.97Å; L360-F405 HydrophobicContact CD2-CE1 4.1Å; L360-F405 HydrophobicContact CD2-CE2 3.83Å; L360-F405 HydrophobicContact CD2-CZ 3.42Å; L360-F405 VanDerWaalsContact CD2-CZ 3.42Å; L360-F405 HydrophobicContact CG-CE2 4.42Å; L360-F405 HydrophobicContact CG-CZ 3.85Å
361	N	97.8	Very high	97.4	Very high	95 Å²	95	44 Å²	44	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-44	178.6	-74.5	-28	0	0	0	111.7	E357 A358 N364 K365	E357-N361 WeakPolarHBondContact O-CB 3.46Å; E357-N361 PolarHBondContact O-N 3.07Å; E357-N361 PolarHBondContact O-ND2 3.3Å; E357-N361 VanDerWaalsContact O-ND2 3.14Å; A358-N361 PolarHBondContact O-N 2.82Å; N361-N364 PolarHBondContact O-N 3.09Å; N361-K365 WeakPolarHBondContact O-CG 3.04Å; N361-K365 PolarHBondContact O-N 3.29Å
362	T	97.7	Very high	97.4	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-39.7	178	-54.1	0	0	0	0	111.4	A358 L359 L360 N364 K365 L366 L561	A358-T362 VanDerWaalsContact O-CB 3.3Å; A358-T362 WeakPolarHBondContact O-CB 3.37Å; A358-T362 PolarHBondContact O-N 3.38Å; A358-T362 PolarHBondContact O-OG1 3.47Å; L359-T362 PolarHBondContact O-N 2.67Å; L360-T362 PolarHBondContact O-N 2.91Å; T362-N364 VanDerWaalsContact C-N 3.29Å; T362-N364 PolarHBondContact O-N 3.04Å; T362-K365 PolarHBondContact O-N 3.12Å; T362-L366 HydrophobicContact CG2-CD1 4.04Å; T362-L366 HydrophobicContact CG2-CG 4.29Å; T362-L366 WeakPolarHBondContact O-CB 3.37Å; T362-L366 WeakPolarHBondContact O-CG 3.48Å; T362-L366 PolarHBondContact O-N 3.08Å; T362-L561 HydrophobicContact CG2-CB 4.22Å; T362-L561 HydrophobicContact CG2-CD2 4.01Å
363	Q	98.1	Very high	97.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.1	-45.4	172.8	-179.7	169.9	-93.2	0	0	111.2	L359 L360 L366 R367 F373 F375 D404	L359-Q363 WeakPolarHBondContact O-CB 3.46Å; L359-Q363 PolarHBondContact O-N 3.36Å; L360-Q363 WeakPolarHBondContact O-CB 3.05Å; L360-Q363 PolarHBondContact O-N 3.49Å; Q363-L366 PolarHBondContact O-N 3.08Å; Q363-R367 VanDerWaalsContact NE2-NH2 3.2Å; Q363-R367 WeakPolarHBondContact O-CG 3.17Å; Q363-R367 PolarHBondContact O-N 2.93Å; Q363-F373 HydrophobicContact CG-CD1 4.22Å; Q363-F375 HydrophobicContact CB-CD2 3.92Å; Q363-F375 HydrophobicContact CB-CE2 3.97Å; Q363-F375 HydrophobicContact CG-CD2 4.32Å; Q363-D404 PolarHBondContact NE2-O 3.17Å
364	N	96.9	Very high	97.4	Very high	87 Å²	87	43.6 Å²	43.6	47%	0.465	24%	0.24	S	C	.	.	H	α-helix	trans	-66.3	-40.4	178.6	-70.6	-27.2	0	0	0	112.6	L360 N361 T362 R367	L360-N364 PolarHBondContact O-N 3.13Å; L360-N364 PolarHBondContact O-ND2 2.79Å; N361-N364 PolarHBondContact O-N 3.09Å; T362-N364 VanDerWaalsContact C-N 3.29Å; T362-N364 PolarHBondContact O-N 3.04Å; N364-R367 PolarHBondContact O-N 3.19Å; N364-R367 PolarHBondContact OD1-NH1 3.22Å
365	K	96.1	Very high	97.5	Very high	117 Å²	117	40.9 Å²	40.9	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-47	171.6	-70.8	174.4	-179.9	179.4	0	111.4	N361 T362 R367 A368	N361-K365 WeakPolarHBondContact O-CG 3.04Å; N361-K365 PolarHBondContact O-N 3.29Å; T362-K365 PolarHBondContact O-N 3.12Å; K365-R367 VanDerWaalsContact C-N 3.32Å; K365-R367 PolarHBondContact O-N 3.46Å; K365-A368 WeakPolarHBondContact O-CB 3.24Å; K365-A368 PolarHBondContact O-N 3Å; K365-A368 VanDerWaalsContact O-N 3.14Å
366	L	97.4	Very high	97.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-33.3	179.9	-74.7	176.6	0	0	0	112.1	T362 Q363 A368 L369 V370 F373 F375 V568	T362-L366 HydrophobicContact CG2-CD1 4.04Å; T362-L366 HydrophobicContact CG2-CG 4.29Å; T362-L366 WeakPolarHBondContact O-CB 3.37Å; T362-L366 WeakPolarHBondContact O-CG 3.48Å; T362-L366 PolarHBondContact O-N 3.08Å; Q363-L366 PolarHBondContact O-N 3.08Å; L366-A368 PolarHBondContact O-N 3.2Å; L366-L369 CarbonylContact O-C 3.58Å; L366-L369 PolarHBondContact O-N 2.86Å; L366-V370 WeakPolarHBondContact O-CA 3.49Å; L366-V370 PolarHBondContact O-N 3.42Å; L366-F373 HydrophobicContact CB-CB 4.25Å; L366-F373 HydrophobicContact CB-CD1 3.55Å; L366-F373 HydrophobicContact CB-CD2 4.36Å; L366-F373 HydrophobicContact CB-CE1 3.98Å; L366-F373 HydrophobicContact CB-CG 3.77Å; L366-F373 HydrophobicContact CD1-CD1 3.94Å; L366-F373 HydrophobicContact CD1-CE1 3.43Å; L366-F373 VanDerWaalsContact CD1-CE1 3.43Å; L366-F373 HydrophobicContact CD1-CE2 4.07Å; L366-F373 HydrophobicContact CD1-CG 4.47Å; L366-F373 HydrophobicContact CD1-CZ 3.51Å; L366-F373 HydrophobicContact CG-CD1 4.41Å; L366-F373 HydrophobicContact CG-CE1 4.36Å; L366-F375 HydrophobicContact CD1-CZ 4.31Å; L366-V568 HydrophobicContact CD2-CB 4.05Å; L366-V568 HydrophobicContact CD2-CG1 4.2Å; L366-V568 HydrophobicContact CD2-CG2 3.94Å
367	R	97.2	Very high	97.5	Very high	87 Å²	87	40.6 Å²	40.6	33%	0.328	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-29.8	173.2	-78.3	172.8	177.8	165.5	-3.1	113.4	Q363 N364 K365 L369 V370 F373 T374 D404	Q363-R367 VanDerWaalsContact NE2-NH2 3.2Å; Q363-R367 WeakPolarHBondContact O-CG 3.17Å; Q363-R367 PolarHBondContact O-N 2.93Å; N364-R367 PolarHBondContact O-N 3.19Å; N364-R367 PolarHBondContact OD1-NH1 3.22Å; K365-R367 VanDerWaalsContact C-N 3.32Å; K365-R367 PolarHBondContact O-N 3.46Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-V370 WeakPolarHBondContact CA-O 3.41Å; R367-F373 HydrophobicContact CG-CB 4.11Å; R367-F373 WeakPolarHBondContact CG-O 3.23Å; R367-F373 PolarHBondContact NE-O 2.76Å; R367-T374 PolarHBondContact NH2-OG1 3.04Å; R367-D404 PolarHBondContact NH2-O 2.94Å
368	A	95.3	Very high	97.5	Very high	86 Å²	86	36.2 Å²	36.2	71%	0.711	20%	0.199	S	C	*	.	H	α-helix	trans	-72.4	-25.9	175.2	0	0	0	0	0	112.8	K365 L366	K365-A368 WeakPolarHBondContact O-CB 3.24Å; K365-A368 PolarHBondContact O-N 3Å; K365-A368 VanDerWaalsContact O-N 3.14Å; L366-A368 PolarHBondContact O-N 3.2Å
369	L	95.3	Very high	97.5	Very high	51 Å²	51	35.7 Å²	35.7	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-101.9	-27.7	-177.4	-56.6	-177	0	0	0	112.9	L366 R367 V568 K569 Q572	L366-L369 CarbonylContact O-C 3.58Å; L366-L369 PolarHBondContact O-N 2.86Å; R367-L369 VanDerWaalsContact C-N 3.31Å; L369-V568 HydrophobicContact CB-CG1 3.63Å; L369-V568 HydrophobicContact CD1-CG1 3.84Å; L369-V568 HydrophobicContact CG-CG1 4.4Å; L369-K569 HydrophobicContact CD1-CG 4.14Å; L369-Q572 PolarHBondContact O-NE2 3.46Å
370	V	98.1	Very high	97.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-134.1	100.6	-175.7	-175.6	0	0	0	0	107.1	L366 R367 N372 F373 V568 L579	L366-V370 WeakPolarHBondContact O-CA 3.49Å; L366-V370 PolarHBondContact O-N 3.42Å; R367-V370 WeakPolarHBondContact CA-O 3.41Å; V370-N372 PolarHBondContact O-N 2.94Å; V370-F373 HydrophobicContact CB-CB 4.1Å; V370-F373 HydrophobicContact CB-CD2 4.33Å; V370-F373 HydrophobicContact CG1-CB 4.26Å; V370-F373 HydrophobicContact CG1-CD2 4.17Å; V370-F373 VanDerWaalsContact O-CB 3.28Å; V370-F373 WeakPolarHBondContact O-CB 3.43Å; V370-F373 PolarHBondContact O-N 3.04Å; V370-F373 VanDerWaalsContact O-N 3.12Å; V370-V568 HydrophobicContact CG2-CB 4.49Å; V370-V568 HydrophobicContact CG2-CG1 3.73Å; V370-V568 HydrophobicContact CG2-CG2 3.86Å; V370-L579 HydrophobicContact CB-CB 4.47Å; V370-L579 HydrophobicContact CG1-CB 4.15Å; V370-L579 HydrophobicContact CG2-CB 3.83Å; V370-L579 HydrophobicContact CG2-CD1 4.13Å
371	P	97.4	Very high	97.5	Very high	69 Å²	69	34.9 Å²	34.9	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137.5	-177.5	-28.5	37.2	0	0	0	112.2	F373 L579 T581	P371-F373 PolarHBondContact O-N 2.64Å; P371-L579 WeakPolarHBondContact CD-O 3.5Å; P371-T581 PolarHBondContact O-N 2.68Å
372	N	95.8	Very high	97.5	Very high	110 Å²	110	35.3 Å²	35.3	59%	0.588	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	14.8	-178.6	-51.9	-41.2	0	0	0	115.7	V370 T374	V370-N372 PolarHBondContact O-N 2.94Å; N372-T374 PolarHBondContact O-N 2.98Å; N372-T374 PolarHBondContact O-OG1 2.88Å
373	F	98.4	Very high	97.5	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	20%	0.197	C	C	.	.			trans	-53.6	125	178.3	-172.8	-87.9	0	0	0	111.5	V337 Q363 L366 R367 V370 P371 F375	V337-F373 HydrophobicContact CB-CZ 4.45Å; V337-F373 HydrophobicContact CG2-CE2 4.08Å; V337-F373 HydrophobicContact CG2-CZ 4.08Å; Q363-F373 HydrophobicContact CG-CD1 4.22Å; L366-F373 HydrophobicContact CB-CB 4.25Å; L366-F373 HydrophobicContact CB-CD1 3.55Å; L366-F373 HydrophobicContact CB-CD2 4.36Å; L366-F373 HydrophobicContact CB-CE1 3.98Å; L366-F373 HydrophobicContact CB-CG 3.77Å; L366-F373 HydrophobicContact CD1-CD1 3.94Å; L366-F373 HydrophobicContact CD1-CE1 3.43Å; L366-F373 VanDerWaalsContact CD1-CE1 3.43Å; L366-F373 HydrophobicContact CD1-CE2 4.07Å; L366-F373 HydrophobicContact CD1-CG 4.47Å; L366-F373 HydrophobicContact CD1-CZ 3.51Å; L366-F373 HydrophobicContact CG-CD1 4.41Å; L366-F373 HydrophobicContact CG-CE1 4.36Å; R367-F373 HydrophobicContact CG-CB 4.11Å; R367-F373 WeakPolarHBondContact CG-O 3.23Å; R367-F373 PolarHBondContact NE-O 2.76Å; V370-F373 HydrophobicContact CB-CB 4.1Å; V370-F373 HydrophobicContact CB-CD2 4.33Å; V370-F373 HydrophobicContact CG1-CB 4.26Å; V370-F373 HydrophobicContact CG1-CD2 4.17Å; V370-F373 VanDerWaalsContact O-CB 3.28Å; V370-F373 WeakPolarHBondContact O-CB 3.43Å; V370-F373 PolarHBondContact O-N 3.04Å; V370-F373 VanDerWaalsContact O-N 3.12Å; P371-F373 PolarHBondContact O-N 2.64Å; F373-F375 HydrophobicContact CE1-CD1 4.18Å; F373-F375 AromaticContact CE1-CD2 3.93Å; F373-F375 HydrophobicContact CE1-CD2 3.93Å; F373-F375 AromaticContact CE1-CE1 3.94Å; F373-F375 HydrophobicContact CE1-CE1 3.94Å; F373-F375 AromaticContact CE1-CE2 3.69Å; F373-F375 HydrophobicContact CE1-CE2 3.69Å; F373-F375 HydrophobicContact CE1-CG 4.17Å; F373-F375 AromaticContact CE1-CZ 3.69Å; F373-F375 HydrophobicContact CE1-CZ 3.69Å; F373-F375 HydrophobicContact CZ-CD1 4.12Å; F373-F375 AromaticContact CZ-CE1 3.76Å; F373-F375 HydrophobicContact CZ-CE1 3.76Å; F373-F375 HydrophobicContact CZ-CE2 4.34Å; F373-F375 AromaticContact CZ-CZ 3.89Å; F373-F375 HydrophobicContact CZ-CZ 3.89Å
374	T	98.1	Very high	97.5	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	21%	0.206	C	C	.	.			trans	-147	127.6	178.8	-57.9	0	0	0	0	108	R367 N372 W406	R367-T374 PolarHBondContact NH2-OG1 3.04Å; N372-T374 PolarHBondContact O-N 2.98Å; N372-T374 PolarHBondContact O-OG1 2.88Å; T374-W406 HydrophobicContact CG2-CB 4.34Å; T374-W406 HydrophobicContact CG2-CD2 3.9Å; T374-W406 HydrophobicContact CG2-CG 3.8Å
375	F	98.5	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.			trans	-67.2	138.7	172.4	-72.4	-72.2	0	0	0	109.6	V337 V339 L359 Q363 L366 F373 L377 F405 W406 Y554 L561	V337-F375 HydrophobicContact CB-CD1 4.03Å; V337-F375 HydrophobicContact CB-CE1 4.15Å; V337-F375 HydrophobicContact CG1-CD1 3.97Å; V337-F375 HydrophobicContact CG1-CE1 3.94Å; V339-F375 HydrophobicContact CG2-CD1 4.16Å; L359-F375 HydrophobicContact CD1-CD1 4.36Å; L359-F375 HydrophobicContact CD1-CD2 3.43Å; L359-F375 VanDerWaalsContact CD1-CD2 3.43Å; L359-F375 HydrophobicContact CD1-CE1 4.38Å; L359-F375 HydrophobicContact CD1-CE2 3.44Å; L359-F375 VanDerWaalsContact CD1-CE2 3.44Å; L359-F375 HydrophobicContact CD1-CG 3.92Å; L359-F375 HydrophobicContact CD1-CZ 3.94Å; L359-F375 HydrophobicContact CG-CD2 4.11Å; L359-F375 HydrophobicContact CG-CE2 4.35Å; Q363-F375 HydrophobicContact CB-CD2 3.92Å; Q363-F375 HydrophobicContact CB-CE2 3.97Å; Q363-F375 HydrophobicContact CG-CD2 4.32Å; L366-F375 HydrophobicContact CD1-CZ 4.31Å; F373-F375 HydrophobicContact CE1-CD1 4.18Å; F373-F375 AromaticContact CE1-CD2 3.93Å; F373-F375 HydrophobicContact CE1-CD2 3.93Å; F373-F375 AromaticContact CE1-CE1 3.94Å; F373-F375 HydrophobicContact CE1-CE1 3.94Å; F373-F375 AromaticContact CE1-CE2 3.69Å; F373-F375 HydrophobicContact CE1-CE2 3.69Å; F373-F375 HydrophobicContact CE1-CG 4.17Å; F373-F375 AromaticContact CE1-CZ 3.69Å; F373-F375 HydrophobicContact CE1-CZ 3.69Å; F373-F375 HydrophobicContact CZ-CD1 4.12Å; F373-F375 AromaticContact CZ-CE1 3.76Å; F373-F375 HydrophobicContact CZ-CE1 3.76Å; F373-F375 HydrophobicContact CZ-CE2 4.34Å; F373-F375 AromaticContact CZ-CZ 3.89Å; F373-F375 HydrophobicContact CZ-CZ 3.89Å; F375-L377 HydrophobicContact CB-CD2 4.22Å; F375-F405 HydrophobicContact CB-CD1 4.12Å; F375-F405 HydrophobicContact CB-CE1 4.43Å; F375-W406 PolarHBondContact O-N 2.96Å; F375-W406 VanDerWaalsContact O-N 3.09Å; F375-Y554 HydrophobicContact CD1-CE1 4.42Å; F375-Y554 AromaticContact CE1-CE1 3.87Å; F375-Y554 HydrophobicContact CE1-CE1 3.87Å; F375-Y554 HydrophobicContact CZ-CE1 4.14Å; F375-L561 HydrophobicContact CE2-CD2 4.29Å; F375-L561 HydrophobicContact CZ-CD2 4Å
376	N	98.3	Very high	97.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.6	-177.8	-168.3	28.4	0	0	0	108.7	L336 V337 D338 V339 W406 F408 Y448	L336-N376 HydrophobicContact CD1-CB 4.1Å; V337-N376 PolarHBondContact O-N 2.73Å; V337-N376 VanDerWaalsContact O-N 3.15Å; D338-N376 CarbonylContact C-O 3.59Å; D338-N376 WeakPolarHBondContact CA-O 3.45Å; D338-N376 WeakPolarHBondContact OD1-CB 3.3Å; D338-N376 PolarHBondContact OD1-ND2 2.77Å; V339-N376 PolarHBondContact N-O 3.24Å; N376-W406 HydrophobicContact CB-CB 4.23Å; N376-W406 VanDerWaalsContact OD1-CB 3.24Å; N376-W406 WeakPolarHBondContact OD1-CB 3.42Å; N376-F408 HydrophobicContact CB-CD1 4.42Å; N376-F408 HydrophobicContact CB-CE1 4.26Å; N376-F408 VanDerWaalsContact CG-CD1 3.48Å; N376-F408 WeakPolarHBondContact ND2-CD1 3.48Å; N376-F408 WeakPolarHBondContact O-CE1 3.23Å; N376-F408 WeakPolarHBondContact OD1-CD1 3.47Å; N376-Y448 WeakPolarHBondContact ND2-CD1 3.45Å; N376-Y448 VanDerWaalsContact ND2-CE1 3.27Å; N376-Y448 WeakPolarHBondContact ND2-CE1 3.46Å
377	L	98.6	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.8	-164.6	-61.7	-166.8	0	0	0	111.2	V339 I342 F375 L398 F405 W406 W407 F408	V339-L377 HydrophobicContact CB-CD2 3.75Å; V339-L377 HydrophobicContact CG1-CD2 4.42Å; V339-L377 HydrophobicContact CG2-CD2 3.89Å; I342-L377 HydrophobicContact CD1-CB 4.45Å; I342-L377 HydrophobicContact CD1-CD2 4.06Å; I342-L377 HydrophobicContact CG1-CB 4.01Å; I342-L377 HydrophobicContact CG1-CD2 4.47Å; F375-L377 HydrophobicContact CB-CD2 4.22Å; L377-L398 HydrophobicContact CD1-CD2 4.29Å; L377-F405 HydrophobicContact CD1-CB 3.77Å; L377-F405 HydrophobicContact CD1-CD1 4.06Å; L377-F405 HydrophobicContact CD1-CD2 3.74Å; L377-F405 HydrophobicContact CD1-CE2 4.33Å; L377-F405 HydrophobicContact CD1-CG 3.58Å; L377-F405 HydrophobicContact CG-CB 3.99Å; L377-F405 HydrophobicContact CG-CD1 4.36Å; L377-F405 HydrophobicContact CG-CG 4.14Å; L377-W406 WeakPolarHBondContact CB-O 3.42Å; L377-W406 PolarHBondContact N-O 3.46Å; L377-W407 HydrophobicContact CB-CD2 4.01Å; L377-W407 HydrophobicContact CB-CE3 3.77Å; L377-W407 HydrophobicContact CB-CH2 4.41Å; L377-W407 HydrophobicContact CB-CZ3 3.99Å; L377-W407 HydrophobicContact CD1-CH2 3.89Å; L377-W407 HydrophobicContact CD1-CZ2 3.84Å; L377-W407 HydrophobicContact CD1-CZ3 4.3Å; L377-W407 CarbonylContact O-C 3.52Å; L377-W407 VanDerWaalsContact O-CA 3.31Å; L377-W407 WeakPolarHBondContact O-CA 3.3Å; L377-F408 PolarHBondContact O-N 2.77Å
378	G	98.4	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.4	179.8	0	0	0	0	0	112	V339 D341 I342 F408	V339-G378 PolarHBondContact O-N 2.84Å; D341-G378 PolarHBondContact N-O 3.14Å; I342-G378 VanDerWaalsContact CB-O 3.28Å; I342-G378 WeakPolarHBondContact CB-O 3.41Å; I342-G378 WeakPolarHBondContact CG1-O 3.18Å; I342-G378 PolarHBondContact N-O 3.27Å; G378-F408 WeakPolarHBondContact CA-O 3.33Å
379	F	98.6	Very high	97.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147	-169	74	-80.8	0	0	0	115	I342 F343 W407 F408 H410 N433 F436 A437 I442 W472	I342-F379 HydrophobicContact CB-CB 4.06Å; I342-F379 HydrophobicContact CG2-CB 4.27Å; F343-F379 HydrophobicContact CD2-CB 4.27Å; F343-F379 HydrophobicContact CE2-CB 4.25Å; F379-W407 HydrophobicContact CB-CE3 4.23Å; F379-W407 HydrophobicContact CB-CZ3 4.11Å; F379-W407 AromaticContact CD1-CE3 3.81Å; F379-W407 HydrophobicContact CD1-CE3 3.81Å; F379-W407 HydrophobicContact CD1-CZ3 4.48Å; F379-W407 HydrophobicContact CG-CE3 4.24Å; F379-W407 HydrophobicContact CG-CZ3 4.46Å; F379-F408 WeakPolarHBondContact CD1-O 3.48Å; F379-F408 WeakPolarHBondContact CE1-O 3.47Å; F379-F408 PolarHBondContact N-O 3.29Å; F379-F408 VanDerWaalsContact N-O 3.13Å; F379-H410 WeakPolarHBondContact O-CB 3.46Å; F379-H410 PolarHBondContact O-N 2.92Å; F379-N433 WeakPolarHBondContact CE2-ND2 3.44Å; F379-N433 PolarHBondContact O-ND2 3.29Å; F379-F436 HydrophobicContact CD2-CD1 4.2Å; F379-F436 HydrophobicContact CD2-CE1 4.35Å; F379-F436 HydrophobicContact CE2-CD1 4.1Å; F379-A437 HydrophobicContact CE2-CB 4.03Å; F379-A437 HydrophobicContact CZ-CB 3.7Å; F379-I442 HydrophobicContact CD2-CD1 4.37Å; F379-I442 HydrophobicContact CE1-CG2 4.08Å; F379-I442 HydrophobicContact CE2-CD1 4.42Å; F379-I442 HydrophobicContact CZ-CG2 4.4Å; F379-W472 AromaticContact CZ-CH2 3.96Å; F379-W472 HydrophobicContact CZ-CH2 3.96Å
380	S	98.4	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.			trans	-125.5	95.9	169.5	-64.3	0	0	0	0	110	I342 K382 F383 H410 M411 W412	I342-S380 PolarHBondContact O-N 3.29Å; I342-S380 VanDerWaalsContact O-N 3.14Å; S380-K382 PolarHBondContact O-N 2.77Å; S380-F383 PolarHBondContact O-N 3.01Å; S380-H410 PolarHBondContact OG-O 3.08Å; S380-M411 VanDerWaalsContact CA-O 3.25Å; S380-M411 WeakPolarHBondContact CA-O 3.49Å; S380-M411 WeakPolarHBondContact CB-O 3.37Å; S380-M411 PolarHBondContact OG-O 2.84Å; S380-W412 WeakPolarHBondContact CB-O 3.16Å
381	G	97.9	Very high	97.4	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.1	-17.3	-169.1	0	0	0	0	0	115.7	F383 Y384 N433	G381-F383 PolarHBondContact O-N 3.1Å; G381-F383 VanDerWaalsContact O-N 3.13Å; G381-Y384 WeakPolarHBondContact O-CB 3.49Å; G381-Y384 PolarHBondContact O-N 2.86Å; G381-N433 PolarHBondContact N-OD1 3.12Å
382	K	97.7	Very high	97.4	Very high	105 Å²	105	38.2 Å²	38.2	46%	0.457	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-58.5	-29.3	178.7	179.8	171.4	175.4	-174.8	0	113.1	S380 W412 S413	S380-K382 PolarHBondContact O-N 2.77Å; K382-W412 HydrophobicContact CB-CD2 3.79Å; K382-W412 HydrophobicContact CB-CE3 4.2Å; K382-W412 HydrophobicContact CB-CG 4.25Å; K382-W412 HydrophobicContact CB-CH2 4.26Å; K382-W412 HydrophobicContact CB-CZ2 3.85Å; K382-W412 HydrophobicContact CB-CZ3 4.43Å; K382-W412 WeakPolarHBondContact CB-O 3.35Å; K382-W412 HydrophobicContact CG-CZ2 4.25Å; K382-W412 VanDerWaalsContact N-CE3 3.32Å; K382-W412 PolarHBondContact N-O 3.48Å; K382-S413 WeakPolarHBondContact CD-OG 3.36Å; K382-S413 PolarHBondContact NZ-OG 2.84Å
383	F	97.4	Very high	97.5	Very high	54 Å²	54	38.1 Å²	38.1	24%	0.237	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-102.9	9.7	-171.2	-55.8	-83.6	0	0	0	112.7	F343 V344 R350 S380 G381 H385 T386 H414	F343-F383 HydrophobicContact CB-CB 4.28Å; F343-F383 CarbonylContact O-C 3.53Å; F343-F383 WeakPolarHBondContact O-CB 3.36Å; V344-F383 HydrophobicContact CB-CD2 4.35Å; V344-F383 HydrophobicContact CG1-CD2 4.35Å; V344-F383 HydrophobicContact CG1-CE2 4.27Å; V344-F383 HydrophobicContact CG2-CD2 3.83Å; V344-F383 HydrophobicContact CG2-CE2 4.19Å; R350-F383 PolarHBondContact NH2-O 3.39Å; S380-F383 PolarHBondContact O-N 3.01Å; G381-F383 PolarHBondContact O-N 3.1Å; G381-F383 VanDerWaalsContact O-N 3.13Å; F383-H385 PolarHBondContact O-N 2.74Å; F383-T386 HydrophobicContact CB-CG2 4.49Å; F383-T386 WeakPolarHBondContact O-CG2 2.97Å; F383-T386 PolarHBondContact O-OG1 3.38Å; F383-H414 HydrophobicContact CE2-CB 3.83Å; F383-H414 HydrophobicContact CZ-CB 4.47Å
384	Y	97.6	Very high	97.5	Very high	48 Å²	48	37.9 Å²	37.9	19%	0.188	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	133.6	169.9	178.5	-115.4	0	0	0	109.6	F343 G381 D395 D396 L399 F436 H440	F343-Y384 AromaticContact CD1-CD2 3.97Å; F343-Y384 HydrophobicContact CD1-CD2 3.97Å; F343-Y384 AromaticContact CE1-CD2 3.77Å; F343-Y384 HydrophobicContact CE1-CD2 3.77Å; F343-Y384 HydrophobicContact CE1-CE2 4.33Å; F343-Y384 HydrophobicContact CE2-CD2 4.44Å; F343-Y384 HydrophobicContact CG-CD2 4.41Å; F343-Y384 HydrophobicContact CZ-CD2 4.01Å; G381-Y384 WeakPolarHBondContact O-CB 3.49Å; G381-Y384 PolarHBondContact O-N 2.86Å; Y384-D395 HydrophobicContact CD2-CB 3.87Å; Y384-D395 HydrophobicContact CE2-CB 3.73Å; Y384-D396 PolarHBondContact OH-OD1 3.42Å; Y384-L399 HydrophobicContact CD2-CD1 4.14Å; Y384-L399 HydrophobicContact CE1-CD1 4.44Å; Y384-L399 HydrophobicContact CE2-CD1 3.42Å; Y384-L399 VanDerWaalsContact CE2-CD1 3.42Å; Y384-L399 HydrophobicContact CE2-CG 4.3Å; Y384-F436 AromaticContact CD1-CE2 3.86Å; Y384-F436 HydrophobicContact CD1-CE2 3.86Å; Y384-F436 HydrophobicContact CD1-CZ 4.13Å; Y384-F436 HydrophobicContact CD2-CZ 4.26Å; Y384-F436 AromaticContact CG-CE2 3.89Å; Y384-F436 HydrophobicContact CG-CE2 3.89Å; Y384-F436 AromaticContact CG-CZ 3.78Å; Y384-F436 HydrophobicContact CG-CZ 3.78Å; Y384-H440 AromaticContact CE1-NE2 3.8Å
385	H	96.9	Very high	97.5	Very high	79 Å²	79	37.5 Å²	37.5	37%	0.366	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	53.3	-176.2	-64.5	175.9	0	0	0	114	F383 D392 D395 D396	F383-H385 PolarHBondContact O-N 2.74Å; H385-D392 VanDerWaalsContact CA-CG 3.47Å; H385-D392 VanDerWaalsContact CA-OD1 3.29Å; H385-D392 WeakPolarHBondContact CA-OD1 3.45Å; H385-D392 WeakPolarHBondContact CA-OD2 3.32Å; H385-D392 PolarHBondContact NE2-O 3.08Å; H385-D395 PolarHBondContact N-OD2 3.14Å; H385-D396 IonicContact CD2-OD1 2.65Å; H385-D396 IonicContact CE1-OD1 3.84Å; H385-D396 PolarHBondContact CE1-OD1 3.38Å; H385-D396 IonicContact CE1-OD2 2.86Å; H385-D396 IonicContact NE2-OD1 2.61Å; H385-D396 PolarHBondContact NE2-OD1 3.47Å; H385-D396 IonicContact NE2-OD2 3.07Å
386	T	95.1	Very high	97.5	Very high	73 Å²	73	40.6 Å²	40.6	45%	0.448	21%	0.206	S	C	.	.			trans	-122.2	10.2	175.6	60.4	0	0	0	0	112.9	R350 F383 D392	R350-T386 PolarHBondContact NH1-OG1 2.88Å; F383-T386 HydrophobicContact CB-CG2 4.49Å; F383-T386 WeakPolarHBondContact O-CG2 2.97Å; F383-T386 PolarHBondContact O-OG1 3.38Å; T386-D392 PolarHBondContact N-OD1 2.89Å
387	G	93.6	Very high	97.5	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-97.8	-157.6	177.4	0	0	0	0	0	113.3	E391 D392	G387-E391 WeakPolarHBondContact CA-OE2 3.37Å; G387-D392 WeakPolarHBondContact CA-OD1 3.42Å; G387-D392 PolarHBondContact N-OD1 3.33Å
388	T	96.3	Very high	97.5	Very high	37 Å²	37	41.9 Å²	41.9	23%	0.227	21%	0.212	C	C	.	.			trans	-78	166.2	164.9	77.5	0	0	0	0	111.4	E347 E390 E391 D392	E347-T388 HydrophobicContact CG-CG2 3.5Å; T388-E390 PolarHBondContact O-N 3.17Å; T388-E390 VanDerWaalsContact O-N 3.12Å; T388-E390 PolarHBondContact OG1-N 2.92Å; T388-E390 PolarHBondContact OG1-OE2 3.37Å; T388-E391 PolarHBondContact N-OE2 2.79Å; T388-E391 VanDerWaalsContact N-OE2 3.08Å; T388-E391 WeakPolarHBondContact O-CA 3.49Å; T388-E391 PolarHBondContact O-N 3.32Å; T388-E391 PolarHBondContact OG1-N 3.28Å; T388-D392 WeakPolarHBondContact O-CB 3.39Å; T388-D392 PolarHBondContact O-N 2.87Å
389	D	97.2	Very high	97.5	Very high	125 Å²	125	42.5 Å²	42.5	67%	0.668	22%	0.215	S	C	*	.	H	α-helix	trans	-51.3	-38.7	176.2	-67.4	-11.8	0	0	0	112.6	Q393	D389-Q393 WeakPolarHBondContact O-CG 3.25Å; D389-Q393 PolarHBondContact O-N 2.98Å; D389-Q393 VanDerWaalsContact O-N 3.12Å
390	E	97.1	Very high	97.5	Very high	106 Å²	106	48.9 Å²	48.9	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-73.8	-31	177.4	-57.9	82.3	-178.5	0	0	113.8	T388 G394	T388-E390 PolarHBondContact O-N 3.17Å; T388-E390 VanDerWaalsContact O-N 3.12Å; T388-E390 PolarHBondContact OG1-N 2.92Å; T388-E390 PolarHBondContact OG1-OE2 3.37Å; E390-G394 PolarHBondContact O-N 3.35Å
391	E	97.3	Very high	97.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-75.6	-39.4	176.1	-67.8	-178.6	142.1	0	0	110.9	G348 T349 R350 K352 G387 T388 Q393 G394 D395	G348-E391 VanDerWaalsContact CA-OE1 3.22Å; G348-E391 WeakPolarHBondContact CA-OE1 3.38Å; G348-E391 PolarHBondContact N-OE1 3.48Å; G348-E391 PolarHBondContact N-OE2 2.92Å; T349-E391 PolarHBondContact N-OE1 3.13Å; R350-E391 HydrophobicContact CB-CB 3.91Å; R350-E391 HydrophobicContact CB-CG 3.86Å; R350-E391 WeakPolarHBondContact CB-OE1 3.42Å; R350-E391 WeakPolarHBondContact CD-OE2 3.3Å; R350-E391 PolarHBondContact N-OE1 2.65Å; R350-E391 VanDerWaalsContact N-OE1 3.12Å; K352-E391 HydrophobicContact CG-CG 4.43Å; G387-E391 WeakPolarHBondContact CA-OE2 3.37Å; T388-E391 PolarHBondContact N-OE2 2.79Å; T388-E391 VanDerWaalsContact N-OE2 3.08Å; T388-E391 WeakPolarHBondContact O-CA 3.49Å; T388-E391 PolarHBondContact O-N 3.32Å; T388-E391 PolarHBondContact OG1-N 3.28Å; E391-Q393 VanDerWaalsContact C-N 3.33Å; E391-Q393 PolarHBondContact O-N 2.82Å; E391-G394 CarbonylContact O-C 3.39Å; E391-G394 VanDerWaalsContact O-CA 3.26Å; E391-G394 WeakPolarHBondContact O-CA 3.39Å; E391-G394 PolarHBondContact O-N 3.38Å; E391-D395 PolarHBondContact O-N 2.88Å
392	D	98.1	Very high	97.4	Very high	26 Å²	26	54.7 Å²	54.7	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-35.5	176.7	-72.8	-1.6	0	0	0	111.3	H385 T386 G387 T388 G394 D395 D396	H385-D392 VanDerWaalsContact CA-CG 3.47Å; H385-D392 VanDerWaalsContact CA-OD1 3.29Å; H385-D392 WeakPolarHBondContact CA-OD1 3.45Å; H385-D392 WeakPolarHBondContact CA-OD2 3.32Å; H385-D392 PolarHBondContact NE2-O 3.08Å; T386-D392 PolarHBondContact N-OD1 2.89Å; G387-D392 WeakPolarHBondContact CA-OD1 3.42Å; G387-D392 PolarHBondContact N-OD1 3.33Å; T388-D392 WeakPolarHBondContact O-CB 3.39Å; T388-D392 PolarHBondContact O-N 2.87Å; D392-G394 PolarHBondContact O-N 3.5Å; D392-D395 WeakPolarHBondContact O-CB 3.48Å; D392-D395 PolarHBondContact O-N 3.1Å; D392-D396 PolarHBondContact O-N 2.79Å
393	Q	98.4	Very high	97.4	Very high	108 Å²	108	58.2 Å²	58.2	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-31.8	166.8	-73.6	169.7	29.7	0	0	112.6	V353 D389 E391 D396 M397	V353-Q393 HydrophobicContact CG2-CB 3.79Å; D389-Q393 WeakPolarHBondContact O-CG 3.25Å; D389-Q393 PolarHBondContact O-N 2.98Å; D389-Q393 VanDerWaalsContact O-N 3.12Å; E391-Q393 VanDerWaalsContact C-N 3.33Å; E391-Q393 PolarHBondContact O-N 2.82Å; Q393-D396 PolarHBondContact O-N 2.86Å; Q393-M397 WeakPolarHBondContact O-CB 3.35Å; Q393-M397 PolarHBondContact O-N 2.81Å
394	G	98.1	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-42.8	171.5	0	0	0	0	0	112.3	E390 E391 D392 D396 M397 L398	E390-G394 PolarHBondContact O-N 3.35Å; E391-G394 CarbonylContact O-C 3.39Å; E391-G394 VanDerWaalsContact O-CA 3.26Å; E391-G394 WeakPolarHBondContact O-CA 3.39Å; E391-G394 PolarHBondContact O-N 3.38Å; D392-G394 PolarHBondContact O-N 3.5Å; G394-D396 VanDerWaalsContact C-N 3.31Å; G394-D396 PolarHBondContact O-N 3.18Å; G394-M397 WeakPolarHBondContact O-CB 3.3Å; G394-M397 PolarHBondContact O-N 3.06Å; G394-L398 PolarHBondContact O-N 3.47Å
395	D	98.1	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-43.5	173	-72	-11	0	0	0	111.3	F343 R350 Y384 H385 E391 D392 M397 L398 L399	F343-D395 HydrophobicContact CD1-CB 3.95Å; F343-D395 VanDerWaalsContact CD1-CG 3.42Å; F343-D395 WeakPolarHBondContact CD1-OD1 3.4Å; F343-D395 HydrophobicContact CE1-CB 3.73Å; R350-D395 IonicContact CZ-OD2 3.57Å; R350-D395 IonicContact NE-OD2 3.61Å; R350-D395 IonicContact NH2-OD1 3.7Å; R350-D395 PolarHBondContact NH2-OD1 3.15Å; R350-D395 IonicContact NH2-OD2 3.89Å; R350-D395 PolarHBondContact NH2-OD2 2.95Å; Y384-D395 HydrophobicContact CD2-CB 3.87Å; Y384-D395 HydrophobicContact CE2-CB 3.73Å; H385-D395 PolarHBondContact N-OD2 3.14Å; E391-D395 PolarHBondContact O-N 2.88Å; D392-D395 WeakPolarHBondContact O-CB 3.48Å; D392-D395 PolarHBondContact O-N 3.1Å; D395-M397 VanDerWaalsContact C-N 3.34Å; D395-M397 PolarHBondContact O-N 3.09Å; D395-L398 WeakPolarHBondContact O-CB 3.18Å; D395-L398 PolarHBondContact O-N 2.95Å; D395-L399 PolarHBondContact O-N 2.94Å; D395-L399 VanDerWaalsContact O-N 3.16Å
396	D	98.6	Very high	97.5	Very high	65 Å²	65	55.1 Å²	55.1	35%	0.348	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.1	-71.8	-19.5	0	0	0	112.1	Y384 H385 D392 Q393 G394 L398 L399 Q400	Y384-D396 PolarHBondContact OH-OD1 3.42Å; H385-D396 IonicContact CD2-OD1 2.65Å; H385-D396 IonicContact CE1-OD1 3.84Å; H385-D396 PolarHBondContact CE1-OD1 3.38Å; H385-D396 IonicContact CE1-OD2 2.86Å; H385-D396 IonicContact NE2-OD1 2.61Å; H385-D396 PolarHBondContact NE2-OD1 3.47Å; H385-D396 IonicContact NE2-OD2 3.07Å; D392-D396 PolarHBondContact O-N 2.79Å; Q393-D396 PolarHBondContact O-N 2.86Å; G394-D396 VanDerWaalsContact C-N 3.31Å; G394-D396 PolarHBondContact O-N 3.18Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.22Å; D396-L399 PolarHBondContact O-N 2.74Å; D396-Q400 WeakPolarHBondContact O-CB 3.28Å; D396-Q400 PolarHBondContact O-N 2.95Å
397	M	98.4	Very high	97.6	Very high	29 Å²	29	51.8 Å²	51.8	14%	0.143	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-39.4	177.7	-170.8	65.6	179.5	0	0	111.6	V353 V356 E357 Q393 G394 D395 L399 Q400 H401	V353-M397 HydrophobicContact CG1-CG 4.32Å; V353-M397 HydrophobicContact CG1-SD 4.5Å; V356-M397 HydrophobicContact CB-CB 4.26Å; V356-M397 HydrophobicContact CB-CG 3.86Å; V356-M397 HydrophobicContact CG1-CB 4.18Å; V356-M397 HydrophobicContact CG1-CG 3.65Å; V356-M397 HydrophobicContact CG2-CB 4.35Å; V356-M397 HydrophobicContact CG2-CG 4.49Å; E357-M397 HydrophobicContact CG-CE 4.22Å; Q393-M397 WeakPolarHBondContact O-CB 3.35Å; Q393-M397 PolarHBondContact O-N 2.81Å; G394-M397 WeakPolarHBondContact O-CB 3.3Å; G394-M397 PolarHBondContact O-N 3.06Å; D395-M397 VanDerWaalsContact C-N 3.34Å; D395-M397 PolarHBondContact O-N 3.09Å; M397-L399 VanDerWaalsContact C-N 3.34Å; M397-L399 PolarHBondContact O-N 3.43Å; M397-Q400 PolarHBondContact O-N 2.9Å; M397-H401 VanDerWaalsContact CE-CD2 3.47Å; M397-H401 WeakPolarHBondContact CE-CD2 3.07Å; M397-H401 WeakPolarHBondContact CE-NE2 3.42Å; M397-H401 PolarHBondContact O-CD2 2.88Å; M397-H401 PolarHBondContact O-N 2.92Å; M397-H401 VanDerWaalsContact O-N 3.13Å
398	L	98.3	Very high	97.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-44.5	173.4	-71.8	167.7	0	0	0	111.5	I342 F343 M351 V356 L359 L377 G394 D395 D396 H401 R402 F405	I342-L398 HydrophobicContact CG2-CD1 4.25Å; F343-L398 HydrophobicContact CE1-CD1 4.41Å; M351-L398 HydrophobicContact CE-CD1 3.67Å; M351-L398 HydrophobicContact CE-CD2 4.11Å; M351-L398 HydrophobicContact CE-CG 4.45Å; V356-L398 HydrophobicContact CB-CD2 4.47Å; V356-L398 HydrophobicContact CG1-CD2 3.81Å; V356-L398 HydrophobicContact CG1-CG 4.2Å; V356-L398 HydrophobicContact CG2-CD2 3.88Å; V356-L398 HydrophobicContact CG2-CG 3.76Å; L359-L398 HydrophobicContact CD2-CD2 4.29Å; L377-L398 HydrophobicContact CD1-CD2 4.29Å; G394-L398 PolarHBondContact O-N 3.47Å; D395-L398 WeakPolarHBondContact O-CB 3.18Å; D395-L398 PolarHBondContact O-N 2.95Å; D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.22Å; L398-H401 CarbonylContact O-C 3.55Å; L398-H401 VanDerWaalsContact O-C 3.32Å; L398-H401 PolarHBondContact O-N 3.08Å; L398-R402 PolarHBondContact O-N 3.21Å; L398-F405 HydrophobicContact CD2-CE2 4.34Å
399	L	98.3	Very high	98	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-70.9	-34.3	179.2	-67.4	-175.2	0	0	0	112.5	F343 Y384 D395 D396 M397 H401 R402 W407 H440 I442	F343-L399 HydrophobicContact CE2-CD2 4.5Å; F343-L399 HydrophobicContact CZ-CD1 4.44Å; F343-L399 HydrophobicContact CZ-CD2 3.88Å; F343-L399 HydrophobicContact CZ-CG 4.06Å; Y384-L399 HydrophobicContact CD2-CD1 4.14Å; Y384-L399 HydrophobicContact CE1-CD1 4.44Å; Y384-L399 HydrophobicContact CE2-CD1 3.42Å; Y384-L399 VanDerWaalsContact CE2-CD1 3.42Å; Y384-L399 HydrophobicContact CE2-CG 4.3Å; D395-L399 PolarHBondContact O-N 2.94Å; D395-L399 VanDerWaalsContact O-N 3.16Å; D396-L399 PolarHBondContact O-N 2.74Å; M397-L399 VanDerWaalsContact C-N 3.34Å; M397-L399 PolarHBondContact O-N 3.43Å; L399-H401 PolarHBondContact O-N 3.08Å; L399-R402 VanDerWaalsContact O-CB 3.3Å; L399-R402 WeakPolarHBondContact O-CB 3.34Å; L399-R402 WeakPolarHBondContact O-CD 3.29Å; L399-R402 WeakPolarHBondContact O-CG 3.33Å; L399-R402 PolarHBondContact O-N 3Å; L399-R402 PolarHBondContact O-NH1 2.69Å; L399-W407 HydrophobicContact CD2-CH2 4.34Å; L399-H440 HydrophobicContact CD1-CB 4.1Å; L399-H440 HydrophobicContact CD2-CB 4.36Å; L399-I442 HydrophobicContact CD2-CD1 3.75Å; L399-I442 HydrophobicContact CD2-CG1 3.95Å
400	Q	98.3	Very high	98	Very high	137 Å²	137	43.8 Å²	43.8	64%	0.64	20%	0.203	S	C	*	.	H	α-helix	trans	-57.4	-40.1	171.6	-174.4	174.6	-1.2	0	0	110.9	D396 M397	D396-Q400 WeakPolarHBondContact O-CB 3.28Å; D396-Q400 PolarHBondContact O-N 2.95Å; M397-Q400 PolarHBondContact O-N 2.9Å
401	H	98.1	Very high	98	Very high	47 Å²	47	39 Å²	39	22%	0.218	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	18.7	178.7	-73.5	-77.9	0	0	0	114.8	L360 M397 L398 L399 K403 D404 F405	L360-H401 HydrophobicContact CD1-CB 4.18Å; L360-H401 HydrophobicContact CD2-CB 4.32Å; M397-H401 VanDerWaalsContact CE-CD2 3.47Å; M397-H401 WeakPolarHBondContact CE-CD2 3.07Å; M397-H401 WeakPolarHBondContact CE-NE2 3.42Å; M397-H401 PolarHBondContact O-CD2 2.88Å; M397-H401 PolarHBondContact O-N 2.92Å; M397-H401 VanDerWaalsContact O-N 3.13Å; L398-H401 CarbonylContact O-C 3.55Å; L398-H401 VanDerWaalsContact O-C 3.32Å; L398-H401 PolarHBondContact O-N 3.08Å; L399-H401 PolarHBondContact O-N 3.08Å; H401-K403 PolarHBondContact O-N 3.46Å; H401-D404 HydrophobicContact CB-CB 4.5Å; H401-D404 IonicContact CE1-OD2 2.58Å; H401-D404 IonicContact CG-OD2 2.68Å; H401-D404 IonicContact ND1-OD2 2.77Å; H401-D404 PolarHBondContact ND1-OD2 2.8Å; H401-D404 WeakPolarHBondContact O-CB 3.22Å; H401-D404 PolarHBondContact O-N 2.91Å; H401-F405 HydrophobicContact CB-CE2 4.09Å; H401-F405 WeakPolarHBondContact O-CD2 3.37Å
402	R	97.6	Very high	98	Very high	77 Å²	77	41.7 Å²	41.7	29%	0.291	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-54.5	-26.9	-175.8	65.4	-164.1	176.3	-82.3	7.5	115.5	L398 L399 D404 W407 H440 G441	L398-R402 PolarHBondContact O-N 3.21Å; L399-R402 VanDerWaalsContact O-CB 3.3Å; L399-R402 WeakPolarHBondContact O-CB 3.34Å; L399-R402 WeakPolarHBondContact O-CD 3.29Å; L399-R402 WeakPolarHBondContact O-CG 3.33Å; L399-R402 PolarHBondContact O-N 3Å; L399-R402 PolarHBondContact O-NH1 2.69Å; R402-D404 VanDerWaalsContact C-N 3.33Å; R402-W407 HydrophobicContact CB-CZ2 4.06Å; R402-W407 PolarHBondContact O-NE1 3.41Å; R402-H440 WeakPolarHBondContact CD-O 3.4Å; R402-H440 PolarHBondContact NE-O 3.15Å; R402-H440 VanDerWaalsContact NE-O 3.12Å; R402-G441 VanDerWaalsContact CD-O 3.29Å; R402-G441 WeakPolarHBondContact CD-O 3.37Å; R402-G441 PolarHBondContact NE-O 2.87Å
403	K	96.9	Very high	97.9	Very high	179 Å²	179	41.2 Å²	41.2	78%	0.778	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-81.3	-12.5	178.3	-66.7	-174.2	177.7	-179.7	0	113.7	H401	H401-K403 PolarHBondContact O-N 3.46Å
404	D	97.2	Very high	97.8	Very high	68 Å²	68	37.7 Å²	37.7	36%	0.364	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-86.7	-10.1	179.8	-61.5	-48.6	0	0	0	112.8	L360 Q363 R367 H401 R402	L360-D404 HydrophobicContact CD2-CB 3.97Å; Q363-D404 PolarHBondContact NE2-O 3.17Å; R367-D404 PolarHBondContact NH2-O 2.94Å; H401-D404 HydrophobicContact CB-CB 4.5Å; H401-D404 IonicContact CE1-OD2 2.58Å; H401-D404 IonicContact CG-OD2 2.68Å; H401-D404 IonicContact ND1-OD2 2.77Å; H401-D404 PolarHBondContact ND1-OD2 2.8Å; H401-D404 WeakPolarHBondContact O-CB 3.22Å; H401-D404 PolarHBondContact O-N 2.91Å; R402-D404 VanDerWaalsContact C-N 3.33Å
405	F	98.1	Very high	97.7	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.026	19%	0.191	C	C	.	.	S	Bend	trans	-118.7	161.7	-179.4	-59.4	-69.1	0	0	0	112.3	L359 L360 F375 L377 L398 H401	L359-F405 HydrophobicContact CD2-CE1 3.81Å; L359-F405 HydrophobicContact CD2-CZ 3.74Å; L359-F405 HydrophobicContact CG-CE1 3.93Å; L359-F405 HydrophobicContact CG-CZ 4.07Å; L360-F405 HydrophobicContact CD2-CE1 4.1Å; L360-F405 HydrophobicContact CD2-CE2 3.83Å; L360-F405 HydrophobicContact CD2-CZ 3.42Å; L360-F405 VanDerWaalsContact CD2-CZ 3.42Å; L360-F405 HydrophobicContact CG-CE2 4.42Å; L360-F405 HydrophobicContact CG-CZ 3.85Å; F375-F405 HydrophobicContact CB-CD1 4.12Å; F375-F405 HydrophobicContact CB-CE1 4.43Å; L377-F405 HydrophobicContact CD1-CB 3.77Å; L377-F405 HydrophobicContact CD1-CD1 4.06Å; L377-F405 HydrophobicContact CD1-CD2 3.74Å; L377-F405 HydrophobicContact CD1-CE2 4.33Å; L377-F405 HydrophobicContact CD1-CG 3.58Å; L377-F405 HydrophobicContact CG-CB 3.99Å; L377-F405 HydrophobicContact CG-CD1 4.36Å; L377-F405 HydrophobicContact CG-CG 4.14Å; L398-F405 HydrophobicContact CD2-CE2 4.34Å; H401-F405 HydrophobicContact CB-CE2 4.09Å; H401-F405 WeakPolarHBondContact O-CD2 3.37Å
406	W	98.3	Very high	97.6	Very high	43 Å²	43	43.7 Å²	43.7	16%	0.163	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	155.7	161.7	-67	-16.7	0	0	0	110	L336 T374 F375 N376 L377 M446 T581 P583	L336-W406 HydrophobicContact CD1-CE3 4.12Å; L336-W406 HydrophobicContact CD1-CZ3 3.95Å; T374-W406 HydrophobicContact CG2-CB 4.34Å; T374-W406 HydrophobicContact CG2-CD2 3.9Å; T374-W406 HydrophobicContact CG2-CG 3.8Å; F375-W406 PolarHBondContact O-N 2.96Å; F375-W406 VanDerWaalsContact O-N 3.09Å; N376-W406 HydrophobicContact CB-CB 4.23Å; N376-W406 VanDerWaalsContact OD1-CB 3.24Å; N376-W406 WeakPolarHBondContact OD1-CB 3.42Å; L377-W406 WeakPolarHBondContact CB-O 3.42Å; L377-W406 PolarHBondContact N-O 3.46Å; W406-M446 HydrophobicContact CB-CE 3.81Å; W406-M446 HydrophobicContact CD2-CE 4.15Å; W406-M446 HydrophobicContact CG-CE 3.54Å; W406-T581 HydrophobicContact CH2-CG2 3.91Å; W406-T581 HydrophobicContact CZ3-CG2 3.79Å; W406-P583 HydrophobicContact CH2-CB 4.12Å; W406-P583 HydrophobicContact CH2-CG 3.79Å; W406-P583 HydrophobicContact CZ2-CB 4.27Å; W406-P583 HydrophobicContact CZ2-CG 3.77Å; W406-P583 HydrophobicContact CZ3-CB 4.48Å
407	W	98.5	Very high	97.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.3	-175.3	-65.1	83.8	0	0	0	111.2	I342 L377 F379 L399 R402 I442 M446	I342-W407 HydrophobicContact CG2-CZ3 4.07Å; L377-W407 HydrophobicContact CB-CD2 4.01Å; L377-W407 HydrophobicContact CB-CE3 3.77Å; L377-W407 HydrophobicContact CB-CH2 4.41Å; L377-W407 HydrophobicContact CB-CZ3 3.99Å; L377-W407 HydrophobicContact CD1-CH2 3.89Å; L377-W407 HydrophobicContact CD1-CZ2 3.84Å; L377-W407 HydrophobicContact CD1-CZ3 4.3Å; L377-W407 CarbonylContact O-C 3.52Å; L377-W407 VanDerWaalsContact O-CA 3.31Å; L377-W407 WeakPolarHBondContact O-CA 3.3Å; F379-W407 HydrophobicContact CB-CE3 4.23Å; F379-W407 HydrophobicContact CB-CZ3 4.11Å; F379-W407 AromaticContact CD1-CE3 3.81Å; F379-W407 HydrophobicContact CD1-CE3 3.81Å; F379-W407 HydrophobicContact CD1-CZ3 4.48Å; F379-W407 HydrophobicContact CG-CE3 4.24Å; F379-W407 HydrophobicContact CG-CZ3 4.46Å; L399-W407 HydrophobicContact CD2-CH2 4.34Å; R402-W407 HydrophobicContact CB-CZ2 4.06Å; R402-W407 PolarHBondContact O-NE1 3.41Å; W407-I442 HydrophobicContact CB-CG2 3.67Å; W407-I442 HydrophobicContact CD2-CG2 3.71Å; W407-I442 HydrophobicContact CE3-CD1 4.27Å; W407-I442 HydrophobicContact CE3-CG2 4Å; W407-I442 HydrophobicContact CG-CG2 3.56Å; W407-I442 HydrophobicContact CZ3-CD1 4.19Å; W407-M446 WeakPolarHBondContact O-CG 3.43Å
408	F	98.6	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.6	168.9	61.2	-90.6	0	0	0	111.5	D338 D340 N376 L377 G378 F379 Y448 V450	D338-F408 HydrophobicContact CB-CE1 4.05Å; D338-F408 HydrophobicContact CB-CZ 4.06Å; D340-F408 WeakPolarHBondContact OD1-CE2 3.35Å; D340-F408 WeakPolarHBondContact OD1-CZ 3.43Å; N376-F408 HydrophobicContact CB-CD1 4.42Å; N376-F408 HydrophobicContact CB-CE1 4.26Å; N376-F408 VanDerWaalsContact CG-CD1 3.48Å; N376-F408 WeakPolarHBondContact ND2-CD1 3.48Å; N376-F408 WeakPolarHBondContact O-CE1 3.23Å; N376-F408 WeakPolarHBondContact OD1-CD1 3.47Å; L377-F408 PolarHBondContact O-N 2.77Å; G378-F408 WeakPolarHBondContact CA-O 3.33Å; F379-F408 WeakPolarHBondContact CD1-O 3.48Å; F379-F408 WeakPolarHBondContact CE1-O 3.47Å; F379-F408 PolarHBondContact N-O 3.29Å; F379-F408 VanDerWaalsContact N-O 3.13Å; F408-Y448 HydrophobicContact CB-CD1 3.77Å; F408-Y448 HydrophobicContact CB-CE1 4.4Å; F408-Y448 VanDerWaalsContact CB-O 3.29Å; F408-Y448 WeakPolarHBondContact CB-O 3.44Å; F408-Y448 AromaticContact CD1-CD1 3.94Å; F408-Y448 HydrophobicContact CD1-CD1 3.94Å; F408-Y448 AromaticContact CD1-CE1 3.9Å; F408-Y448 HydrophobicContact CD1-CE1 3.9Å; F408-Y448 HydrophobicContact CE1-CE1 4.25Å; F408-Y448 AromaticContact CG-CD1 3.92Å; F408-Y448 HydrophobicContact CG-CD1 3.92Å; F408-Y448 HydrophobicContact CG-CE1 4.07Å; F408-V450 HydrophobicContact CD2-CB 3.94Å; F408-V450 HydrophobicContact CD2-CG2 3.8Å; F408-V450 HydrophobicContact CE2-CB 3.63Å; F408-V450 HydrophobicContact CE2-CG2 3.57Å; F408-V450 HydrophobicContact CZ-CG2 4.1Å
409	P	98.3	Very high	97.1	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.3	176.9	30.6	-34.7	0	0	0	110.8	Y448 A449 W472 I474	P409-Y448 WeakPolarHBondContact CD-O 3.28Å; P409-A449 HydrophobicContact CG-CB 3.8Å; P409-W472 HydrophobicContact CB-CD2 4.03Å; P409-W472 HydrophobicContact CB-CE3 4.35Å; P409-W472 HydrophobicContact CB-CH2 3.89Å; P409-W472 HydrophobicContact CB-CZ2 3.53Å; P409-W472 HydrophobicContact CB-CZ3 4.28Å; P409-W472 HydrophobicContact CG-CD2 3.74Å; P409-W472 HydrophobicContact CG-CE3 4.02Å; P409-W472 HydrophobicContact CG-CG 4.1Å; P409-W472 HydrophobicContact CG-CH2 4.44Å; P409-W472 HydrophobicContact CG-CZ2 4.2Å; P409-W472 HydrophobicContact CG-CZ3 4.36Å; P409-I474 HydrophobicContact CG-CD1 4.47Å
410	H	97.7	Very high	96.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.014	20%	0.2	C	C	.	.			trans	-123	37.6	176.8	-155.5	51	0	0	0	112.3	D341 F379 S380 H414 V450 A451 P452	D341-H410 IonicContact OD1-CD2 3.63Å; D341-H410 PolarHBondContact OD1-CD2 3.38Å; D341-H410 IonicContact OD1-NE2 2.73Å; D341-H410 PolarHBondContact OD1-NE2 2.98Å; F379-H410 WeakPolarHBondContact O-CB 3.46Å; F379-H410 PolarHBondContact O-N 2.92Å; S380-H410 PolarHBondContact OG-O 3.08Å; H410-H414 AromaticContact CD2-CD2 3.46Å; H410-H414 PolarHBondContact CD2-CD2 3.5Å; H410-H414 VanDerWaalsContact CD2-CD2 3.46Å; H410-H414 AromaticContact CD2-NE2 3.74Å; H410-H414 AromaticContact NE2-CD2 3.7Å; H410-H414 AromaticContact NE2-NE2 3.47Å; H410-H414 PolarHBondContact NE2-NE2 3.45Å; H410-V450 PolarHBondContact ND1-O 3.07Å; H410-A451 VanDerWaalsContact CE1-C 3.49Å; H410-P452 WeakPolarHBondContact O-CG 3.14Å
411	M	96.8	Very high	96.3	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.034	19%	0.19	C	C	.	.			trans	65.1	150.9	-173	-58.6	-65.6	-68.6	0	0	114.3	S380 L426 Q429 M430 P452	S380-M411 VanDerWaalsContact CA-O 3.25Å; S380-M411 WeakPolarHBondContact CA-O 3.49Å; S380-M411 WeakPolarHBondContact CB-O 3.37Å; S380-M411 PolarHBondContact OG-O 2.84Å; M411-L426 HydrophobicContact CE-CD1 3.38Å; M411-L426 HydrophobicContact CE-CG 4.49Å; M411-L426 HydrophobicContact SD-CD1 4.49Å; M411-Q429 HydrophobicContact CE-CB 4.29Å; M411-M430 HydrophobicContact CE-CE 4.16Å; M411-M430 HydrophobicContact CE-CG 4.1Å; M411-M430 HydrophobicContact SD-CE 3.55Å; M411-M430 VanDerWaalsContact SD-CE 3.55Å; M411-M430 HydrophobicContact SD-CG 3.72Å; M411-M430 HydrophobicContact SD-SD 4.46Å; M411-P452 HydrophobicContact CB-CG 3.92Å; M411-P452 HydrophobicContact CG-CG 3.78Å
412	W	97.3	Very high	95.9	Very high	56 Å²	56	43.1 Å²	43.1	21%	0.212	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-56.8	-178.4	171.2	-120.6	0	0	0	113.5	S380 K382 Q429 L432 N433 F436	S380-W412 WeakPolarHBondContact CB-O 3.16Å; K382-W412 HydrophobicContact CB-CD2 3.79Å; K382-W412 HydrophobicContact CB-CE3 4.2Å; K382-W412 HydrophobicContact CB-CG 4.25Å; K382-W412 HydrophobicContact CB-CH2 4.26Å; K382-W412 HydrophobicContact CB-CZ2 3.85Å; K382-W412 HydrophobicContact CB-CZ3 4.43Å; K382-W412 WeakPolarHBondContact CB-O 3.35Å; K382-W412 HydrophobicContact CG-CZ2 4.25Å; K382-W412 VanDerWaalsContact N-CE3 3.32Å; K382-W412 PolarHBondContact N-O 3.48Å; W412-Q429 WeakPolarHBondContact CB-O 3.39Å; W412-L432 HydrophobicContact CB-CB 4.16Å; W412-L432 HydrophobicContact CD2-CB 3.79Å; W412-L432 HydrophobicContact CE3-CB 4.23Å; W412-L432 HydrophobicContact CG-CB 3.76Å; W412-L432 HydrophobicContact CG-CD1 4.22Å; W412-N433 HydrophobicContact CB-CB 3.99Å; W412-N433 HydrophobicContact CE3-CB 4.3Å; W412-F436 HydrophobicContact CZ3-CB 3.76Å; W412-F436 HydrophobicContact CZ3-CD2 4.18Å; W412-F436 HydrophobicContact CZ3-CG 4.08Å
413	S	95.9	Very high	95.7	Very high	16 Å²	16	41.5 Å²	41.5	11%	0.112	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	20.3	-177.1	-60.6	0	0	0	0	113.3	K382 M415	K382-S413 WeakPolarHBondContact CD-OG 3.36Å; K382-S413 PolarHBondContact NZ-OG 2.84Å; S413-M415 PolarHBondContact O-N 3.29Å
414	H	96.5	Very high	95.6	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.157	19%	0.187	C	C	.	.			trans	52.8	28.3	-173	-169.2	-103.1	0	0	0	113.2	D341 V344 F383 H410 H453	D341-H414 IonicContact OD1-CD2 3.59Å; D341-H414 PolarHBondContact OD1-CD2 3.03Å; D341-H414 IonicContact OD1-CE1 3.76Å; D341-H414 IonicContact OD1-NE2 2.99Å; D341-H414 PolarHBondContact OD1-NE2 3.49Å; V344-H414 HydrophobicContact CG1-CB 4.23Å; V344-H414 HydrophobicContact CG2-CB 4.12Å; F383-H414 HydrophobicContact CE2-CB 3.83Å; F383-H414 HydrophobicContact CZ-CB 4.47Å; H410-H414 AromaticContact CD2-CD2 3.46Å; H410-H414 PolarHBondContact CD2-CD2 3.5Å; H410-H414 VanDerWaalsContact CD2-CD2 3.46Å; H410-H414 AromaticContact CD2-NE2 3.74Å; H410-H414 AromaticContact NE2-CD2 3.7Å; H410-H414 AromaticContact NE2-NE2 3.47Å; H410-H414 PolarHBondContact NE2-NE2 3.45Å; H414-H453 AromaticContact CE1-NE2 3.8Å
415	M	95.3	Very high	95.5	Very high	76 Å²	76	36.7 Å²	36.7	37%	0.374	19%	0.191	S	C	.	.			trans	-82.5	138.3	-178.1	-73.2	-177.9	70.3	0	0	111.3	S413 F420	S413-M415 PolarHBondContact O-N 3.29Å; M415-F420 HydrophobicContact CB-CE2 3.72Å; M415-F420 HydrophobicContact CB-CZ 3.81Å; M415-F420 HydrophobicContact CE-CE1 4.31Å; M415-F420 HydrophobicContact CE-CE2 4.14Å; M415-F420 HydrophobicContact CE-CZ 3.65Å; M415-F420 HydrophobicContact CG-CZ 4.46Å; M415-F420 HydrophobicContact SD-CZ 3.83Å
416	Q	96.4	Very high	95.4	Very high	50 Å²	50	36.4 Å²	36.4	23%	0.234	19%	0.189	C	C	.	.			trans	-70.2	129.4	180	-63.7	158	6	0	0	110.5	H418 L419 H453	Q416-H418 VanDerWaalsContact C-N 3.33Å; Q416-H418 WeakPolarHBondContact CB-ND1 3.48Å; Q416-H418 PolarHBondContact O-N 3.42Å; Q416-H418 PolarHBondContact OE1-CE1 3.34Å; Q416-L419 HydrophobicContact CB-CD1 4.12Å; Q416-L419 HydrophobicContact CB-CG 4.23Å; Q416-L419 WeakPolarHBondContact O-CB 3.28Å; Q416-L419 PolarHBondContact O-N 2.91Å; Q416-H453 HydrophobicContact CG-CB 4.33Å; Q416-H453 PolarHBondContact NE2-CD2 2.97Å; Q416-H453 PolarHBondContact NE2-NE2 3.4Å
417	P	95.9	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34	-174.7	-30.7	38	0	0	0	115.6	L419 F420 L426 A451 S455 H461 L464	P417-L419 PolarHBondContact O-N 3.49Å; P417-F420 PolarHBondContact O-N 2.89Å; P417-L426 HydrophobicContact CB-CD1 4.4Å; P417-A451 HydrophobicContact CG-CB 3.75Å; P417-S455 WeakPolarHBondContact CD-O 3.41Å; P417-S455 WeakPolarHBondContact CG-O 3.48Å; P417-H461 PolarHBondContact O-NE2 3.01Å; P417-L464 HydrophobicContact CB-CB 4.19Å; P417-L464 HydrophobicContact CB-CD1 3.86Å; P417-L464 HydrophobicContact CB-CD2 4.05Å; P417-L464 HydrophobicContact CB-CG 4.25Å; P417-L464 HydrophobicContact CG-CD1 3.66Å; P417-L464 HydrophobicContact CG-CD2 3.96Å; P417-L464 HydrophobicContact CG-CG 4.32Å
418	H	94.8	Very high	95.3	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.051	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.1	-12.3	-179.6	74.4	-78.8	0	0	0	114.8	Q416 F420 S455 I615 W616	Q416-H418 VanDerWaalsContact C-N 3.33Å; Q416-H418 WeakPolarHBondContact CB-ND1 3.48Å; Q416-H418 PolarHBondContact O-N 3.42Å; Q416-H418 PolarHBondContact OE1-CE1 3.34Å; H418-F420 VanDerWaalsContact C-N 3.26Å; H418-S455 WeakPolarHBondContact CB-OG 3.38Å; H418-S455 VanDerWaalsContact CG-OG 3.23Å; H418-S455 PolarHBondContact ND1-OG 3.38Å; H418-I615 WeakPolarHBondContact CB-O 3.37Å; H418-W616 PolarHBondContact CD2-O 3.17Å
419	L	94.2	Very high	95.1	Very high	75 Å²	75	41.3 Å²	41.3	39%	0.393	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-80.6	-9.2	175.2	-58.6	177.6	0	0	0	112.5	Q416 P417	Q416-L419 HydrophobicContact CB-CD1 4.12Å; Q416-L419 HydrophobicContact CB-CG 4.23Å; Q416-L419 WeakPolarHBondContact O-CB 3.28Å; Q416-L419 PolarHBondContact O-N 2.91Å; P417-L419 PolarHBondContact O-N 3.49Å
420	F	92.6	Very high	95.1	Very high	18 Å²	18	41 Å²	41	8%	0.079	21%	0.213	C	C	.	.			trans	-101	130.7	178.5	-61.4	-93.9	0	0	0	110.1	M415 P417 H418 V425 L426 Q429 H461	M415-F420 HydrophobicContact CB-CE2 3.72Å; M415-F420 HydrophobicContact CB-CZ 3.81Å; M415-F420 HydrophobicContact CE-CE1 4.31Å; M415-F420 HydrophobicContact CE-CE2 4.14Å; M415-F420 HydrophobicContact CE-CZ 3.65Å; M415-F420 HydrophobicContact CG-CZ 4.46Å; M415-F420 HydrophobicContact SD-CZ 3.83Å; P417-F420 PolarHBondContact O-N 2.89Å; H418-F420 VanDerWaalsContact C-N 3.26Å; F420-V425 HydrophobicContact CD1-CG1 3.99Å; F420-V425 HydrophobicContact CE1-CG1 4.2Å; F420-L426 HydrophobicContact CB-CB 4Å; F420-L426 HydrophobicContact CB-CD1 4.13Å; F420-L426 HydrophobicContact CD1-CB 4.38Å; F420-L426 HydrophobicContact CD1-CD1 4.39Å; F420-L426 HydrophobicContact CD2-CD1 3.53Å; F420-L426 HydrophobicContact CE2-CD1 3.95Å; F420-L426 HydrophobicContact CG-CB 4.15Å; F420-L426 HydrophobicContact CG-CD1 3.76Å; F420-Q429 HydrophobicContact CE1-CG 3.85Å; F420-Q429 HydrophobicContact CZ-CG 4.02Å; F420-H461 PolarHBondContact O-CE1 3.26Å; F420-H461 PolarHBondContact O-NE2 3.38Å; F420-H461 VanDerWaalsContact O-NE2 3.08Å
421	H	86.8	Confident	95.1	Very high	90 Å²	90	45 Å²	45	42%	0.417	23%	0.231	S	C	.	.			trans	-99.6	-24.3	179.6	-56.5	-57.7	0	0	0	112	E619	H421-E619 WeakPolarHBondContact CB-OE1 3.48Å; H421-E619 IonicContact CD2-OE1 2.56Å; H421-E619 IonicContact CE1-OE1 3.91Å; H421-E619 IonicContact CE1-OE2 3.99Å; H421-E619 IonicContact CG-OE1 3.99Å; H421-E619 IonicContact CG-OE2 2.78Å; H421-E619 WeakPolarHBondContact ND1-CG 3.27Å; H421-E619 IonicContact ND1-OE1 3.99Å; H421-E619 PolarHBondContact ND1-OE1 3.41Å; H421-E619 IonicContact ND1-OE2 3.2Å; H421-E619 PolarHBondContact ND1-OE2 2.98Å
422	N	89.6	Confident	95.2	Very high	85 Å²	85	48.1 Å²	48.1	46%	0.455	25%	0.247	S	C	.	.			trans	-111.9	119.5	-176.5	-172.3	-32.4	0	0	0	110.3	S424 V425 L426	N422-S424 PolarHBondContact O-N 3.29Å; N422-S424 VanDerWaalsContact OD1-CB 3.28Å; N422-S424 WeakPolarHBondContact OD1-CB 3.28Å; N422-S424 PolarHBondContact OD1-N 3.4Å; N422-S424 PolarHBondContact OD1-OG 2.94Å; N422-V425 HydrophobicContact CB-CB 4.41Å; N422-V425 HydrophobicContact CB-CG2 4.01Å; N422-V425 PolarHBondContact O-N 3.25Å; N422-V425 VanDerWaalsContact O-N 3.12Å; N422-L426 PolarHBondContact O-N 2.84Å; N422-L426 VanDerWaalsContact O-N 3.14Å
423	V	93.6	Very high	95.2	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-55.9	-35.4	178.9	67	0	0	0	0	112.3	L426 A427 Q463 E466 A467	V423-L426 PolarHBondContact O-N 2.93Å; V423-A427 WeakPolarHBondContact O-CB 3.32Å; V423-A427 PolarHBondContact O-N 3Å; V423-Q463 HydrophobicContact CB-CB 4.16Å; V423-Q463 HydrophobicContact CB-CG 4.14Å; V423-Q463 HydrophobicContact CG2-CB 4.33Å; V423-E466 HydrophobicContact CG2-CB 4.05Å; V423-A467 HydrophobicContact CG2-CB 4.27Å
424	S	95.8	Very high	95.4	Very high	72 Å²	72	48.8 Å²	48.8	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-42.6	178.7	-56.7	0	0	0	0	111.7	N422 A427 E428	N422-S424 PolarHBondContact O-N 3.29Å; N422-S424 VanDerWaalsContact OD1-CB 3.28Å; N422-S424 WeakPolarHBondContact OD1-CB 3.28Å; N422-S424 PolarHBondContact OD1-N 3.4Å; N422-S424 PolarHBondContact OD1-OG 2.94Å; S424-A427 PolarHBondContact O-N 3.14Å; S424-E428 WeakPolarHBondContact O-CG 3.35Å; S424-E428 PolarHBondContact O-N 3.11Å
425	V	94.9	Very high	95.4	Very high	74 Å²	74	50.9 Å²	50.9	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-67.5	-42.7	178.6	-179.7	0	0	0	0	110.8	F420 N422 A427 E428 Q429	F420-V425 HydrophobicContact CD1-CG1 3.99Å; F420-V425 HydrophobicContact CE1-CG1 4.2Å; N422-V425 HydrophobicContact CB-CB 4.41Å; N422-V425 HydrophobicContact CB-CG2 4.01Å; N422-V425 PolarHBondContact O-N 3.25Å; N422-V425 VanDerWaalsContact O-N 3.12Å; V425-A427 VanDerWaalsContact C-N 3.31Å; V425-A427 PolarHBondContact O-N 3.21Å; V425-E428 PolarHBondContact O-N 2.7Å; V425-Q429 PolarHBondContact O-N 2.73Å; V425-Q429 VanDerWaalsContact O-N 3.16Å
426	L	95.7	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-43.4	174.5	-178.1	66	0	0	0	111.1	M411 P417 F420 N422 V423 Q429 M430 Q463 L464 A467	M411-L426 HydrophobicContact CE-CD1 3.38Å; M411-L426 HydrophobicContact CE-CG 4.49Å; M411-L426 HydrophobicContact SD-CD1 4.49Å; P417-L426 HydrophobicContact CB-CD1 4.4Å; F420-L426 HydrophobicContact CB-CB 4Å; F420-L426 HydrophobicContact CB-CD1 4.13Å; F420-L426 HydrophobicContact CD1-CB 4.38Å; F420-L426 HydrophobicContact CD1-CD1 4.39Å; F420-L426 HydrophobicContact CD2-CD1 3.53Å; F420-L426 HydrophobicContact CE2-CD1 3.95Å; F420-L426 HydrophobicContact CG-CB 4.15Å; F420-L426 HydrophobicContact CG-CD1 3.76Å; N422-L426 PolarHBondContact O-N 2.84Å; N422-L426 VanDerWaalsContact O-N 3.14Å; V423-L426 PolarHBondContact O-N 2.93Å; L426-Q429 PolarHBondContact O-N 3.4Å; L426-M430 HydrophobicContact CD1-CE 4.08Å; L426-M430 HydrophobicContact CD2-CE 4.11Å; L426-M430 HydrophobicContact CG-CE 3.84Å; L426-M430 WeakPolarHBondContact O-CG 2.94Å; L426-M430 PolarHBondContact O-N 3.45Å; L426-M430 VanDerWaalsContact O-N 3.07Å; L426-Q463 HydrophobicContact CD2-CB 4.3Å; L426-L464 HydrophobicContact CD2-CB 4.46Å; L426-A467 HydrophobicContact CD2-CB 4.02Å; L426-A467 HydrophobicContact CG-CB 4.15Å
427	A	97.5	Very high	95.7	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-40	177.4	0	0	0	0	0	112.3	V423 S424 V425 Q429 M430 K431 A467 V471	V423-A427 WeakPolarHBondContact O-CB 3.32Å; V423-A427 PolarHBondContact O-N 3Å; S424-A427 PolarHBondContact O-N 3.14Å; V425-A427 VanDerWaalsContact C-N 3.31Å; V425-A427 PolarHBondContact O-N 3.21Å; A427-Q429 PolarHBondContact O-N 3.09Å; A427-M430 WeakPolarHBondContact O-CB 3.39Å; A427-M430 PolarHBondContact O-N 3.18Å; A427-M430 VanDerWaalsContact O-N 3.15Å; A427-K431 WeakPolarHBondContact O-CG 3.5Å; A427-K431 PolarHBondContact O-N 3.38Å; A427-A467 HydrophobicContact CB-CB 4.31Å; A427-V471 HydrophobicContact CB-CG2 3.75Å
428	E	96.7	Very high	95.8	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-42.8	174.1	-70.9	-47.7	127.1	0	0	111.9	S424 V425 M430 K431 L432	S424-E428 WeakPolarHBondContact O-CG 3.35Å; S424-E428 PolarHBondContact O-N 3.11Å; V425-E428 PolarHBondContact O-N 2.7Å; E428-M430 VanDerWaalsContact C-N 3.29Å; E428-M430 PolarHBondContact O-N 3.46Å; E428-K431 PolarHBondContact O-N 2.86Å; E428-K431 VanDerWaalsContact O-N 3.15Å; E428-K431 IonicContact OE1-NZ 3.06Å; E428-K431 PolarHBondContact OE1-NZ 3.47Å; E428-L432 WeakPolarHBondContact O-CG 3.49Å; E428-L432 PolarHBondContact O-N 3.18Å
429	Q	95.9	Very high	96	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-39.9	173.4	-68.5	-60.8	-57.9	0	0	111.9	M411 W412 F420 V425 L426 A427 N433	M411-Q429 HydrophobicContact CE-CB 4.29Å; W412-Q429 WeakPolarHBondContact CB-O 3.39Å; F420-Q429 HydrophobicContact CE1-CG 3.85Å; F420-Q429 HydrophobicContact CZ-CG 4.02Å; V425-Q429 PolarHBondContact O-N 2.73Å; V425-Q429 VanDerWaalsContact O-N 3.16Å; L426-Q429 PolarHBondContact O-N 3.4Å; A427-Q429 PolarHBondContact O-N 3.09Å; Q429-N433 PolarHBondContact O-N 3.32Å
430	M	97.4	Very high	96.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-36.4	175.6	-71.1	-178.6	-171.7	0	0	112.5	M411 L426 A427 E428 N433 R434 L464 A467 W468 V471 W472	M411-M430 HydrophobicContact CE-CE 4.16Å; M411-M430 HydrophobicContact CE-CG 4.1Å; M411-M430 HydrophobicContact SD-CE 3.55Å; M411-M430 VanDerWaalsContact SD-CE 3.55Å; M411-M430 HydrophobicContact SD-CG 3.72Å; M411-M430 HydrophobicContact SD-SD 4.46Å; L426-M430 HydrophobicContact CD1-CE 4.08Å; L426-M430 HydrophobicContact CD2-CE 4.11Å; L426-M430 HydrophobicContact CG-CE 3.84Å; L426-M430 WeakPolarHBondContact O-CG 2.94Å; L426-M430 PolarHBondContact O-N 3.45Å; L426-M430 VanDerWaalsContact O-N 3.07Å; A427-M430 WeakPolarHBondContact O-CB 3.39Å; A427-M430 PolarHBondContact O-N 3.18Å; A427-M430 VanDerWaalsContact O-N 3.15Å; E428-M430 VanDerWaalsContact C-N 3.29Å; E428-M430 PolarHBondContact O-N 3.46Å; M430-N433 PolarHBondContact O-N 2.93Å; M430-R434 PolarHBondContact O-N 2.92Å; M430-L464 HydrophobicContact CE-CD1 3.53Å; M430-A467 HydrophobicContact CE-CB 3.83Å; M430-A467 HydrophobicContact SD-CB 3.61Å; M430-W468 VanDerWaalsContact CE-CD1 3.48Å; M430-W468 HydrophobicContact CE-CG 4.31Å; M430-V471 HydrophobicContact CB-CB 4.11Å; M430-V471 HydrophobicContact CB-CG1 3.75Å; M430-V471 HydrophobicContact CB-CG2 4.22Å; M430-W472 PolarHBondContact O-NE1 3.32Å
431	K	98.1	Very high	96.4	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177.6	-74.3	172.9	-172.1	173.4	0	111.9	A427 E428 N433 R434 I435 V471	A427-K431 WeakPolarHBondContact O-CG 3.5Å; A427-K431 PolarHBondContact O-N 3.38Å; E428-K431 PolarHBondContact O-N 2.86Å; E428-K431 VanDerWaalsContact O-N 3.15Å; E428-K431 IonicContact OE1-NZ 3.06Å; E428-K431 PolarHBondContact OE1-NZ 3.47Å; K431-N433 VanDerWaalsContact C-N 3.3Å; K431-N433 PolarHBondContact O-N 2.87Å; K431-R434 CarbonylContact O-C 3.42Å; K431-R434 WeakPolarHBondContact O-CA 3.47Å; K431-R434 WeakPolarHBondContact O-CB 3.22Å; K431-R434 PolarHBondContact O-N 2.99Å; K431-I435 WeakPolarHBondContact O-CG1 3.37Å; K431-I435 PolarHBondContact O-N 2.91Å; K431-V471 HydrophobicContact CG-CG1 3.85Å; K431-V471 HydrophobicContact CG-CG2 4.24Å
432	L	98.3	Very high	96.9	Very high	72 Å²	72	52.6 Å²	52.6	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-45.8	174.4	-67.7	173.9	0	0	0	111.4	W412 E428 R434 I435 F436	W412-L432 HydrophobicContact CB-CB 4.16Å; W412-L432 HydrophobicContact CD2-CB 3.79Å; W412-L432 HydrophobicContact CE3-CB 4.23Å; W412-L432 HydrophobicContact CG-CB 3.76Å; W412-L432 HydrophobicContact CG-CD1 4.22Å; E428-L432 WeakPolarHBondContact O-CG 3.49Å; E428-L432 PolarHBondContact O-N 3.18Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 2.96Å; L432-I435 PolarHBondContact O-N 2.87Å; L432-F436 PolarHBondContact O-N 3.29Å
433	N	98.3	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-32	176.8	-150.5	46	0	0	0	112.5	F379 G381 W412 Q429 M430 K431 A437 W472	F379-N433 WeakPolarHBondContact CE2-ND2 3.44Å; F379-N433 PolarHBondContact O-ND2 3.29Å; G381-N433 PolarHBondContact N-OD1 3.12Å; W412-N433 HydrophobicContact CB-CB 3.99Å; W412-N433 HydrophobicContact CE3-CB 4.3Å; Q429-N433 PolarHBondContact O-N 3.32Å; M430-N433 PolarHBondContact O-N 2.93Å; K431-N433 VanDerWaalsContact C-N 3.3Å; K431-N433 PolarHBondContact O-N 2.87Å; N433-A437 PolarHBondContact O-N 3.2Å; N433-A437 VanDerWaalsContact O-N 3.1Å; N433-W472 HydrophobicContact CB-CZ2 4.14Å
434	R	98.3	Very high	97.3	Very high	86 Å²	86	50.3 Å²	50.3	33%	0.325	26%	0.264	S	S	.	.	H	α-helix	trans	-70.7	-41.3	175.8	-170.5	173.8	177.8	-168.8	-3.4	112.3	M430 K431 L432 A437 Q438 T444 V471 W472	M430-R434 PolarHBondContact O-N 2.92Å; K431-R434 CarbonylContact O-C 3.42Å; K431-R434 WeakPolarHBondContact O-CA 3.47Å; K431-R434 WeakPolarHBondContact O-CB 3.22Å; K431-R434 PolarHBondContact O-N 2.99Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 2.96Å; R434-A437 WeakPolarHBondContact O-CB 3.24Å; R434-A437 PolarHBondContact O-N 2.87Å; R434-Q438 WeakPolarHBondContact O-CG 3.31Å; R434-Q438 PolarHBondContact O-N 3.28Å; R434-T444 HydrophobicContact CG-CG2 4.49Å; R434-V471 VanDerWaalsContact CD-O 3.3Å; R434-V471 WeakPolarHBondContact CD-O 3.4Å; R434-V471 PolarHBondContact NH1-O 2.88Å; R434-W472 VanDerWaalsContact CA-CZ2 3.43Å; R434-W472 HydrophobicContact CB-CH2 3.65Å; R434-W472 HydrophobicContact CB-CZ2 3.49Å; R434-W472 VanDerWaalsContact CB-CZ2 3.49Å; R434-W472 HydrophobicContact CB-CZ3 4.23Å; R434-W472 HydrophobicContact CG-CE3 4.33Å; R434-W472 HydrophobicContact CG-CH2 3.93Å; R434-W472 HydrophobicContact CG-CZ2 4.17Å; R434-W472 HydrophobicContact CG-CZ3 4.01Å
435	I	98.5	Very high	97.2	Very high	78 Å²	78	53.1 Å²	53.1	40%	0.4	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-49.3	175.5	-70.1	165.3	0	0	0	109.4	K431 L432 A437 Q438 E439	K431-I435 WeakPolarHBondContact O-CG1 3.37Å; K431-I435 PolarHBondContact O-N 2.91Å; L432-I435 PolarHBondContact O-N 2.87Å; I435-A437 VanDerWaalsContact C-N 3.28Å; I435-A437 PolarHBondContact O-N 2.94Å; I435-Q438 WeakPolarHBondContact O-CB 3.18Å; I435-Q438 PolarHBondContact O-N 3.45Å; I435-E439 HydrophobicContact CG2-CG 4.26Å; I435-E439 WeakPolarHBondContact CG2-OE1 3.24Å; I435-E439 WeakPolarHBondContact O-CG 3.41Å; I435-E439 PolarHBondContact O-N 2.84Å
436	F	98.6	Very high	97.2	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.048	26%	0.263	C	S	.	.	H	α-helix	trans	-53.2	-46.6	174.6	175.5	-89.3	0	0	0	112	F343 F379 Y384 W412 L432 Q438 E439 H440 I442	F343-F436 HydrophobicContact CD2-CE1 4.38Å; F343-F436 HydrophobicContact CD2-CZ 4.42Å; F343-F436 AromaticContact CE2-CE1 3.89Å; F343-F436 HydrophobicContact CE2-CE1 3.89Å; F343-F436 HydrophobicContact CE2-CZ 4.04Å; F379-F436 HydrophobicContact CD2-CD1 4.2Å; F379-F436 HydrophobicContact CD2-CE1 4.35Å; F379-F436 HydrophobicContact CE2-CD1 4.1Å; Y384-F436 AromaticContact CD1-CE2 3.86Å; Y384-F436 HydrophobicContact CD1-CE2 3.86Å; Y384-F436 HydrophobicContact CD1-CZ 4.13Å; Y384-F436 HydrophobicContact CD2-CZ 4.26Å; Y384-F436 AromaticContact CG-CE2 3.89Å; Y384-F436 HydrophobicContact CG-CE2 3.89Å; Y384-F436 AromaticContact CG-CZ 3.78Å; Y384-F436 HydrophobicContact CG-CZ 3.78Å; W412-F436 HydrophobicContact CZ3-CB 3.76Å; W412-F436 HydrophobicContact CZ3-CD2 4.18Å; W412-F436 HydrophobicContact CZ3-CG 4.08Å; L432-F436 PolarHBondContact O-N 3.29Å; F436-Q438 VanDerWaalsContact C-N 3.32Å; F436-Q438 PolarHBondContact O-N 3.44Å; F436-E439 PolarHBondContact O-N 2.98Å; F436-H440 AromaticContact CD2-CE1 3.49Å; F436-H440 VanDerWaalsContact CD2-CE1 3.49Å; F436-H440 WeakPolarHBondContact CD2-CE1 2.99Å; F436-H440 AromaticContact CD2-ND1 3.55Å; F436-H440 AromaticContact CE2-CE1 3.3Å; F436-H440 WeakPolarHBondContact CE2-CE1 3.4Å; F436-H440 AromaticContact CE2-ND1 3.51Å; F436-H440 AromaticContact CE2-NE2 3.85Å; F436-H440 AromaticContact CG-ND1 3.91Å; F436-H440 AromaticContact CZ-CE1 3.96Å; F436-H440 AromaticContact CZ-ND1 3.81Å; F436-H440 PolarHBondContact O-N 2.68Å; F436-H440 PolarHBondContact O-ND1 3.12Å; F436-I442 HydrophobicContact CD1-CD1 4.43Å; F436-I442 HydrophobicContact CE1-CD1 4.02Å
437	A	98.4	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-40.8	177.5	0	0	0	0	0	112.6	F379 N433 R434 I435 G441 I442 T444 W472	F379-A437 HydrophobicContact CE2-CB 4.03Å; F379-A437 HydrophobicContact CZ-CB 3.7Å; N433-A437 PolarHBondContact O-N 3.2Å; N433-A437 VanDerWaalsContact O-N 3.1Å; R434-A437 WeakPolarHBondContact O-CB 3.24Å; R434-A437 PolarHBondContact O-N 2.87Å; I435-A437 VanDerWaalsContact C-N 3.28Å; I435-A437 PolarHBondContact O-N 2.94Å; A437-G441 CarbonylContact O-C 3.5Å; A437-G441 PolarHBondContact O-N 2.88Å; A437-I442 HydrophobicContact CB-CB 3.97Å; A437-I442 HydrophobicContact CB-CG2 4.34Å; A437-I442 PolarHBondContact O-N 2.71Å; A437-T444 HydrophobicContact CB-CG2 3.76Å; A437-W472 HydrophobicContact CB-CH2 4.22Å
438	Q	98.3	Very high	97.3	Very high	108 Å²	108	51.7 Å²	51.7	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-67.1	-44.6	178	-71.2	171.7	-37.1	0	0	112.1	R434 I435 F436 H440 G441 T444	R434-Q438 WeakPolarHBondContact O-CG 3.31Å; R434-Q438 PolarHBondContact O-N 3.28Å; I435-Q438 WeakPolarHBondContact O-CB 3.18Å; I435-Q438 PolarHBondContact O-N 3.45Å; F436-Q438 VanDerWaalsContact C-N 3.32Å; F436-Q438 PolarHBondContact O-N 3.44Å; Q438-H440 VanDerWaalsContact C-N 3.3Å; Q438-H440 PolarHBondContact O-N 2.75Å; Q438-G441 PolarHBondContact O-N 3.39Å; Q438-T444 HydrophobicContact CG-CG2 4.26Å
439	E	98.2	Very high	97.4	Very high	142 Å²	142	47.1 Å²	47.1	66%	0.664	24%	0.241	S	C	*	.	H	α-helix	trans	-62	-38.1	178.8	-71.7	173.7	168.3	0	0	111.9	I435 F436	I435-E439 HydrophobicContact CG2-CG 4.26Å; I435-E439 WeakPolarHBondContact CG2-OE1 3.24Å; I435-E439 WeakPolarHBondContact O-CG 3.41Å; I435-E439 PolarHBondContact O-N 2.84Å; F436-E439 PolarHBondContact O-N 2.98Å
440	H	98.2	Very high	97.4	Very high	53 Å²	53	45.1 Å²	45.1	25%	0.245	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.3	-179.8	-60.7	79.8	0	0	0	113.1	Y384 L399 R402 F436 Q438 I442	Y384-H440 AromaticContact CE1-NE2 3.8Å; L399-H440 HydrophobicContact CD1-CB 4.1Å; L399-H440 HydrophobicContact CD2-CB 4.36Å; R402-H440 WeakPolarHBondContact CD-O 3.4Å; R402-H440 PolarHBondContact NE-O 3.15Å; R402-H440 VanDerWaalsContact NE-O 3.12Å; F436-H440 AromaticContact CD2-CE1 3.49Å; F436-H440 VanDerWaalsContact CD2-CE1 3.49Å; F436-H440 WeakPolarHBondContact CD2-CE1 2.99Å; F436-H440 AromaticContact CD2-ND1 3.55Å; F436-H440 AromaticContact CE2-CE1 3.3Å; F436-H440 WeakPolarHBondContact CE2-CE1 3.4Å; F436-H440 AromaticContact CE2-ND1 3.51Å; F436-H440 AromaticContact CE2-NE2 3.85Å; F436-H440 AromaticContact CG-ND1 3.91Å; F436-H440 AromaticContact CZ-CE1 3.96Å; F436-H440 AromaticContact CZ-ND1 3.81Å; F436-H440 PolarHBondContact O-N 2.68Å; F436-H440 PolarHBondContact O-ND1 3.12Å; Q438-H440 VanDerWaalsContact C-N 3.3Å; Q438-H440 PolarHBondContact O-N 2.75Å; H440-I442 VanDerWaalsContact C-N 3.32Å; H440-I442 PolarHBondContact O-N 2.99Å
441	G	97.6	Very high	97.5	Very high	36 Å²	36	45 Å²	45	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	27.6	177.6	0	0	0	0	0	115.1	R402 A437 Q438	R402-G441 VanDerWaalsContact CD-O 3.29Å; R402-G441 WeakPolarHBondContact CD-O 3.37Å; R402-G441 PolarHBondContact NE-O 2.87Å; A437-G441 CarbonylContact O-C 3.5Å; A437-G441 PolarHBondContact O-N 2.88Å; Q438-G441 PolarHBondContact O-N 3.39Å
442	I	98.3	Very high	97.4	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.213	C	C	.	.			trans	-72.6	134.7	170.6	-63.2	171.6	0	0	0	108.8	F379 L399 W407 F436 A437 H440 T444	F379-I442 HydrophobicContact CD2-CD1 4.37Å; F379-I442 HydrophobicContact CE1-CG2 4.08Å; F379-I442 HydrophobicContact CE2-CD1 4.42Å; F379-I442 HydrophobicContact CZ-CG2 4.4Å; L399-I442 HydrophobicContact CD2-CD1 3.75Å; L399-I442 HydrophobicContact CD2-CG1 3.95Å; W407-I442 HydrophobicContact CB-CG2 3.67Å; W407-I442 HydrophobicContact CD2-CG2 3.71Å; W407-I442 HydrophobicContact CE3-CD1 4.27Å; W407-I442 HydrophobicContact CE3-CG2 4Å; W407-I442 HydrophobicContact CG-CG2 3.56Å; W407-I442 HydrophobicContact CZ3-CD1 4.19Å; F436-I442 HydrophobicContact CD1-CD1 4.43Å; F436-I442 HydrophobicContact CE1-CD1 4.02Å; A437-I442 HydrophobicContact CB-CB 3.97Å; A437-I442 HydrophobicContact CB-CG2 4.34Å; A437-I442 PolarHBondContact O-N 2.71Å; H440-I442 VanDerWaalsContact C-N 3.32Å; H440-I442 PolarHBondContact O-N 2.99Å; I442-T444 WeakPolarHBondContact O-CG2 3.47Å; I442-T444 PolarHBondContact O-N 3.25Å
443	P	95.7	Very high	97.2	Very high	44 Å²	44	41.3 Å²	41.3	29%	0.286	21%	0.213	S	C	.	.			trans	-56.3	134.4	176	-25.2	34.6	0	0	0	112.9	M446	P443-M446 HydrophobicContact CB-CG 4.27Å
444	T	94.8	Very high	97.1	Very high	37 Å²	37	41.5 Å²	41.5	23%	0.227	21%	0.214	C	C	.	.			trans	-115.9	-0.7	-175.2	59	0	0	0	0	114.5	R434 A437 Q438 I442 W472	R434-T444 HydrophobicContact CG-CG2 4.49Å; A437-T444 HydrophobicContact CB-CG2 3.76Å; Q438-T444 HydrophobicContact CG-CG2 4.26Å; I442-T444 WeakPolarHBondContact O-CG2 3.47Å; I442-T444 PolarHBondContact O-N 3.25Å; T444-W472 HydrophobicContact CG2-CZ3 3.95Å
445	D	93.8	Very high	97	Very high	130 Å²	130	37.4 Å²	37.4	70%	0.695	20%	0.198	S	C	*	.			trans	-112.5	12.9	-171.1	62.7	-27.6	0	0	0	113.8	G447	D445-G447 PolarHBondContact O-N 3.38Å; D445-G447 VanDerWaalsContact O-N 3.15Å
446	M	94.4	Very high	96.8	Very high	47 Å²	47	33.7 Å²	33.7	23%	0.232	18%	0.18	C	C	.	.	S	Bend	trans	-63.1	-21.6	-179.8	-64.5	-60.9	-74.8	0	0	113.5	W406 W407 P443 Y448 V585	W406-M446 HydrophobicContact CB-CE 3.81Å; W406-M446 HydrophobicContact CD2-CE 4.15Å; W406-M446 HydrophobicContact CG-CE 3.54Å; W407-M446 WeakPolarHBondContact O-CG 3.43Å; P443-M446 HydrophobicContact CB-CG 4.27Å; M446-Y448 PolarHBondContact O-N 2.88Å; M446-V585 WeakPolarHBondContact O-CG2 3.48Å
447	G	96.8	Very high	96.7	Very high	5 Å²	5	33.2 Å²	33.2	5%	0.052	18%	0.177	C	C	.	.			trans	69.5	15.7	175.5	0	0	0	0	0	114.9	D445 R475 V476	D445-G447 PolarHBondContact O-N 3.38Å; D445-G447 VanDerWaalsContact O-N 3.15Å; G447-R475 PolarHBondContact O-N 3.47Å; G447-V476 PolarHBondContact O-N 3.35Å
448	Y	98.5	Very high	96.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.4	178.7	-179.3	-116	0	0	0	110.6	D338 N376 F408 P409 M446 V450 V476 S478 R504 P584	D338-Y448 WeakPolarHBondContact OD2-CE1 3.28Å; D338-Y448 PolarHBondContact OD2-OH 3.47Å; N376-Y448 WeakPolarHBondContact ND2-CD1 3.45Å; N376-Y448 VanDerWaalsContact ND2-CE1 3.27Å; N376-Y448 WeakPolarHBondContact ND2-CE1 3.46Å; F408-Y448 HydrophobicContact CB-CD1 3.77Å; F408-Y448 HydrophobicContact CB-CE1 4.4Å; F408-Y448 VanDerWaalsContact CB-O 3.29Å; F408-Y448 WeakPolarHBondContact CB-O 3.44Å; F408-Y448 AromaticContact CD1-CD1 3.94Å; F408-Y448 HydrophobicContact CD1-CD1 3.94Å; F408-Y448 AromaticContact CD1-CE1 3.9Å; F408-Y448 HydrophobicContact CD1-CE1 3.9Å; F408-Y448 HydrophobicContact CE1-CE1 4.25Å; F408-Y448 AromaticContact CG-CD1 3.92Å; F408-Y448 HydrophobicContact CG-CD1 3.92Å; F408-Y448 HydrophobicContact CG-CE1 4.07Å; P409-Y448 WeakPolarHBondContact CD-O 3.28Å; M446-Y448 PolarHBondContact O-N 2.88Å; Y448-V450 HydrophobicContact CE1-CG2 3.72Å; Y448-V450 HydrophobicContact CE2-CG2 4.4Å; Y448-V450 WeakPolarHBondContact OH-CG2 3.28Å; Y448-V476 VanDerWaalsContact CA-O 3.32Å; Y448-V476 WeakPolarHBondContact CA-O 3.44Å; Y448-V476 HydrophobicContact CD2-CB 4Å; Y448-V476 HydrophobicContact CD2-CG1 3.82Å; Y448-V476 WeakPolarHBondContact CD2-O 3.47Å; Y448-V476 HydrophobicContact CE2-CG1 4.16Å; Y448-S478 WeakPolarHBondContact OH-CB 3.22Å; Y448-S478 PolarHBondContact OH-OG 3.38Å; Y448-R504 PolarHBondContact OH-NH1 3.28Å; Y448-P584 HydrophobicContact CD1-CB 4Å; Y448-P584 HydrophobicContact CD1-CG 3.79Å; Y448-P584 HydrophobicContact CD2-CB 3.63Å; Y448-P584 HydrophobicContact CD2-CG 4.34Å; Y448-P584 HydrophobicContact CE1-CG 4.31Å; Y448-P584 HydrophobicContact CE2-CB 4.19Å; Y448-P584 HydrophobicContact CG-CB 3.51Å; Y448-P584 HydrophobicContact CG-CG 3.79Å
449	A	98.1	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.3	175	0	0	0	0	0	110.9	P409 W468 I474 V476 T477	P409-A449 HydrophobicContact CG-CB 3.8Å; A449-W468 HydrophobicContact CB-CD2 4.36Å; A449-W468 HydrophobicContact CB-CZ2 3.98Å; A449-I474 HydrophobicContact CB-CD1 3.62Å; A449-I474 HydrophobicContact CB-CG1 3.73Å; A449-I474 HydrophobicContact CB-CG2 4.1Å; A449-V476 PolarHBondContact N-O 3.41Å; A449-T477 VanDerWaalsContact O-CA 3.29Å; A449-T477 WeakPolarHBondContact O-CA 3.45Å; A449-T477 WeakPolarHBondContact O-CB 3.46Å; A449-T477 PolarHBondContact O-OG1 2.98Å
450	V	97.9	Very high	96.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.124	C	C	.	.			trans	-133.4	131.3	174.6	-176.3	0	0	0	0	106.9	F408 H410 Y448 H454 R504	F408-V450 HydrophobicContact CD2-CB 3.94Å; F408-V450 HydrophobicContact CD2-CG2 3.8Å; F408-V450 HydrophobicContact CE2-CB 3.63Å; F408-V450 HydrophobicContact CE2-CG2 3.57Å; F408-V450 HydrophobicContact CZ-CG2 4.1Å; H410-V450 PolarHBondContact ND1-O 3.07Å; Y448-V450 HydrophobicContact CE1-CG2 3.72Å; Y448-V450 HydrophobicContact CE2-CG2 4.4Å; Y448-V450 WeakPolarHBondContact OH-CG2 3.28Å; V450-H454 WeakPolarHBondContact CG1-CE1 3.37Å; V450-R504 VanDerWaalsContact CG2-NH1 3.26Å
451	A	97.6	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.			trans	-82.4	143.9	177.3	0	0	0	0	0	110.7	H410 P417 H453 H454 S455 V457 L464 W468	H410-A451 VanDerWaalsContact CE1-C 3.49Å; P417-A451 HydrophobicContact CG-CB 3.75Å; A451-H453 PolarHBondContact O-N 3.06Å; A451-H454 WeakPolarHBondContact O-CA 3.34Å; A451-H454 PolarHBondContact O-N 3.19Å; A451-S455 WeakPolarHBondContact CB-O 3.38Å; A451-V457 HydrophobicContact CB-CG2 3.88Å; A451-L464 HydrophobicContact CB-CD2 4.01Å; A451-W468 HydrophobicContact CB-CH2 4.13Å; A451-W468 HydrophobicContact CB-CZ2 3.86Å
452	P	96.8	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-48.9	128.9	170.1	-32.4	38.2	0	0	0	112.3	H410 M411 H454 S455	H410-P452 WeakPolarHBondContact O-CG 3.14Å; M411-P452 HydrophobicContact CB-CG 3.92Å; M411-P452 HydrophobicContact CG-CG 3.78Å; P452-H454 PolarHBondContact O-N 2.85Å; P452-H454 VanDerWaalsContact O-N 3.09Å; P452-S455 PolarHBondContact O-N 3.04Å
453	H	94.3	Very high	95.8	Very high	83 Å²	83	20.8 Å²	20.8	38%	0.384	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	55.3	20.4	-175.8	-55.8	-94.2	0	0	0	114.8	H414 Q416 A451 S455 R611	H414-H453 AromaticContact CE1-NE2 3.8Å; Q416-H453 HydrophobicContact CG-CB 4.33Å; Q416-H453 PolarHBondContact NE2-CD2 2.97Å; Q416-H453 PolarHBondContact NE2-NE2 3.4Å; A451-H453 PolarHBondContact O-N 3.06Å; H453-S455 PolarHBondContact O-N 3.05Å; H453-R611 PolarHBondContact O-NH2 3.16Å; H453-R611 VanDerWaalsContact O-NH2 3.1Å
454	H	96	Very high	95.9	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	56.5	14.9	-176.2	-58.1	-86.5	0	0	0	114.8	V450 A451 P452 V457 S478 E480 E481 R504 M548	V450-H454 WeakPolarHBondContact CG1-CE1 3.37Å; A451-H454 WeakPolarHBondContact O-CA 3.34Å; A451-H454 PolarHBondContact O-N 3.19Å; P452-H454 PolarHBondContact O-N 2.85Å; P452-H454 VanDerWaalsContact O-N 3.09Å; H454-V457 WeakPolarHBondContact O-CB 3.42Å; H454-V457 PolarHBondContact O-N 3.36Å; H454-S478 PolarHBondContact ND1-O 3.46Å; H454-S478 VanDerWaalsContact ND1-O 3.14Å; H454-E480 IonicContact CD2-OE1 3.95Å; H454-E480 PolarHBondContact CD2-OE1 3.44Å; H454-E480 IonicContact CD2-OE2 3.47Å; H454-E480 PolarHBondContact CD2-OE2 3.18Å; H454-E480 IonicContact CE1-OE2 2.68Å; H454-E480 PolarHBondContact CE1-OE2 3.36Å; H454-E480 VanDerWaalsContact CE1-OE2 3.25Å; H454-E480 IonicContact CG-OE1 2.72Å; H454-E480 IonicContact CG-OE2 2.83Å; H454-E480 IonicContact ND1-OE2 3.89Å; H454-E480 PolarHBondContact ND1-OE2 3.1Å; H454-E480 IonicContact NE2-OE1 3.59Å; H454-E480 IonicContact NE2-OE2 3.68Å; H454-E480 PolarHBondContact NE2-OE2 2.89Å; H454-E481 HydrophobicContact CB-CG 4.04Å; H454-R504 WeakPolarHBondContact CE1-CD 3.27Å; H454-M548 PolarHBondContact NE2-SD 3.46Å
455	S	95.8	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	138.4	-177.1	171.8	0	0	0	0	111.3	P417 H418 A451 P452 H453 V457 I615	P417-S455 WeakPolarHBondContact CD-O 3.41Å; P417-S455 WeakPolarHBondContact CG-O 3.48Å; H418-S455 WeakPolarHBondContact CB-OG 3.38Å; H418-S455 VanDerWaalsContact CG-OG 3.23Å; H418-S455 PolarHBondContact ND1-OG 3.38Å; A451-S455 WeakPolarHBondContact CB-O 3.38Å; P452-S455 PolarHBondContact O-N 3.04Å; H453-S455 PolarHBondContact O-N 3.05Å; S455-V457 PolarHBondContact O-N 2.72Å; S455-I615 PolarHBondContact OG-O 3.36Å; S455-I615 VanDerWaalsContact OG-O 3.13Å
456	G	94.7	Very high	96.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-12.9	-178.7	0	0	0	0	0	113.9	P459 V460 H461 L464 Y465	G456-P459 CarbonylContact C-O 3.56Å; G456-P459 WeakPolarHBondContact CA-O 3.5Å; G456-V460 CarbonylContact O-C 3.6Å; G456-V460 WeakPolarHBondContact O-CA 3.33Å; G456-H461 VanDerWaalsContact CA-CB 3.47Å; G456-H461 PolarHBondContact O-N 2.88Å; G456-L464 VanDerWaalsContact C-CD2 3.45Å; G456-Y465 WeakPolarHBondContact O-CE2 3.46Å
457	V	97	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-53.8	167.4	-172.8	0	0	0	0	108.8	A451 H454 S455 V460 L464 Y465 W468 T477 T479 V501	A451-V457 HydrophobicContact CB-CG2 3.88Å; H454-V457 WeakPolarHBondContact O-CB 3.42Å; H454-V457 PolarHBondContact O-N 3.36Å; S455-V457 PolarHBondContact O-N 2.72Å; V457-V460 WeakPolarHBondContact O-CG2 3.4Å; V457-L464 HydrophobicContact CG2-CD2 4.11Å; V457-Y465 PolarHBondContact O-OH 3.32Å; V457-W468 HydrophobicContact CG2-CH2 3.61Å; V457-W468 HydrophobicContact CG2-CZ3 4.17Å; V457-T477 HydrophobicContact CG1-CG2 3.76Å; V457-T479 HydrophobicContact CG1-CG2 3.86Å; V457-V501 HydrophobicContact CG1-CG1 3.81Å; V457-V501 HydrophobicContact CG1-CG2 4.5Å
458	Y	96.3	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148	129.6	167.1	-167.4	-99.5	0	0	0	111.2	E481 Y482 P483 F494 W603 Q604 H612	Y458-E481 HydrophobicContact CD1-CB 4.35Å; Y458-E481 WeakPolarHBondContact CD1-O 3.36Å; Y458-E481 WeakPolarHBondContact O-CB 3.39Å; Y458-Y482 HydrophobicContact CD1-CD2 4.1Å; Y458-Y482 AromaticContact CD2-CD2 3.56Å; Y458-Y482 HydrophobicContact CD2-CD2 3.56Å; Y458-Y482 HydrophobicContact CD2-CE2 4.4Å; Y458-Y482 HydrophobicContact CD2-CG 4.32Å; Y458-Y482 AromaticContact CE1-CD2 3.93Å; Y458-Y482 HydrophobicContact CE1-CD2 3.93Å; Y458-Y482 AromaticContact CE2-CD2 3.4Å; Y458-Y482 HydrophobicContact CE2-CD2 3.4Å; Y458-Y482 VanDerWaalsContact CE2-CD2 3.4Å; Y458-Y482 AromaticContact CE2-CE2 3.91Å; Y458-Y482 HydrophobicContact CE2-CE2 3.91Å; Y458-Y482 AromaticContact CG-CD2 3.9Å; Y458-Y482 HydrophobicContact CG-CD2 3.9Å; Y458-Y482 HydrophobicContact CG-CG 4.33Å; Y458-Y482 AromaticContact CZ-CD2 3.57Å; Y458-P483 WeakPolarHBondContact CE1-O 3.36Å; Y458-F494 HydrophobicContact CD2-CE1 4.46Å; Y458-F494 HydrophobicContact CD2-CZ 4.26Å; Y458-W603 HydrophobicContact CD2-CZ3 4.46Å; Y458-W603 AromaticContact CE2-CE3 3.99Å; Y458-W603 HydrophobicContact CE2-CE3 3.99Å; Y458-W603 HydrophobicContact CE2-CZ3 4.19Å; Y458-Q604 VanDerWaalsContact OH-CB 3.23Å; Y458-Q604 WeakPolarHBondContact OH-CB 3.27Å; Y458-Q604 WeakPolarHBondContact OH-CG 3.48Å; Y458-Q604 PolarHBondContact OH-N 3.37Å; Y458-H612 AromaticContact CD1-CE1 3.88Å; Y458-H612 AromaticContact CD1-NE2 3.81Å; Y458-H612 AromaticContact CE1-CE1 3.48Å; Y458-H612 VanDerWaalsContact CE1-CE1 3.48Å; Y458-H612 WeakPolarHBondContact CE1-CE1 3.5Å; Y458-H612 AromaticContact CE1-ND1 3.89Å; Y458-H612 AromaticContact CE1-NE2 3.9Å
459	P	95.3	Very high	96.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-56.2	143.6	-8.4	-21.3	32.6	0	0	0	111.7	G456 H461 P606 H612	G456-P459 CarbonylContact C-O 3.56Å; G456-P459 WeakPolarHBondContact CA-O 3.5Å; P459-H461 PolarHBondContact O-N 2.97Å; P459-P606 HydrophobicContact CB-CB 4.22Å; P459-P606 HydrophobicContact CB-CG 4.09Å; P459-P606 HydrophobicContact CG-CB 3.78Å; P459-P606 HydrophobicContact CG-CG 4.14Å; P459-H612 HydrophobicContact CG-CB 3.59Å
460	V	95.2	Very high	96.2	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.048	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	135.7	-175.2	169.1	0	0	0	0	110.4	G456 V457 Y465 F494 H496 W603 K620	G456-V460 CarbonylContact O-C 3.6Å; G456-V460 WeakPolarHBondContact O-CA 3.33Å; V457-V460 WeakPolarHBondContact O-CG2 3.4Å; V460-Y465 HydrophobicContact CB-CE2 4.45Å; V460-Y465 HydrophobicContact CG1-CD2 4.15Å; V460-Y465 HydrophobicContact CG1-CE2 3.88Å; V460-Y465 HydrophobicContact CG2-CE2 4.24Å; V460-F494 HydrophobicContact CG2-CE2 4.16Å; V460-F494 HydrophobicContact CG2-CZ 4.33Å; V460-H496 WeakPolarHBondContact CG1-NE2 3.28Å; V460-W603 HydrophobicContact CG2-CH2 3.99Å; V460-W603 HydrophobicContact CG2-CZ3 3.86Å; V460-K620 PolarHBondContact O-NZ 2.83Å; V460-K620 VanDerWaalsContact O-NZ 3.17Å
461	H	94.9	Very high	96.2	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.014	11%	0.108	C	C	.	.			trans	-118.8	103.4	167.3	-176.9	56.1	0	0	0	108	P417 F420 G456 P459 Q463 L464	P417-H461 PolarHBondContact O-NE2 3.01Å; F420-H461 PolarHBondContact O-CE1 3.26Å; F420-H461 PolarHBondContact O-NE2 3.38Å; F420-H461 VanDerWaalsContact O-NE2 3.08Å; G456-H461 VanDerWaalsContact CA-CB 3.47Å; G456-H461 PolarHBondContact O-N 2.88Å; P459-H461 PolarHBondContact O-N 2.97Å; H461-Q463 PolarHBondContact CE1-OE1 3.19Å; H461-Q463 PolarHBondContact ND1-OE1 3.01Å; H461-Q463 VanDerWaalsContact ND1-OE1 3.08Å; H461-Q463 PolarHBondContact O-N 3.31Å; H461-Q463 VanDerWaalsContact O-N 3.12Å; H461-L464 VanDerWaalsContact O-CB 3.28Å; H461-L464 WeakPolarHBondContact O-CB 3.48Å; H461-L464 PolarHBondContact O-N 2.83Å
462	T	93.6	Very high	96.1	Very high	31 Å²	31	21.4 Å²	21.4	19%	0.19	11%	0.111	C	C	.	.	H	α-helix	trans	-52.9	-39.5	-169.6	-58.2	0	0	0	0	113.2	L464 Y465 E466 D677	T462-L464 PolarHBondContact O-N 3.32Å; T462-Y465 PolarHBondContact O-N 3.06Å; T462-Y465 VanDerWaalsContact O-N 3.08Å; T462-E466 HydrophobicContact CG2-CG 4.38Å; T462-E466 WeakPolarHBondContact CG2-OE1 3.33Å; T462-E466 PolarHBondContact O-N 2.9Å; T462-E466 VanDerWaalsContact O-N 3.09Å; T462-D677 PolarHBondContact N-OD2 3.34Å; T462-D677 PolarHBondContact OG1-OD2 3.13Å
463	Q	94.7	Very high	96.1	Very high	41 Å²	41	23.5 Å²	23.5	19%	0.192	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-34.3	178.6	-62.8	87.6	-28.3	0	0	112.7	V423 L426 H461 A467	V423-Q463 HydrophobicContact CB-CB 4.16Å; V423-Q463 HydrophobicContact CB-CG 4.14Å; V423-Q463 HydrophobicContact CG2-CB 4.33Å; L426-Q463 HydrophobicContact CD2-CB 4.3Å; H461-Q463 PolarHBondContact CE1-OE1 3.19Å; H461-Q463 PolarHBondContact ND1-OE1 3.01Å; H461-Q463 VanDerWaalsContact ND1-OE1 3.08Å; H461-Q463 PolarHBondContact O-N 3.31Å; H461-Q463 VanDerWaalsContact O-N 3.12Å; Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.4Å; Q463-A467 PolarHBondContact O-N 3.06Å
464	L	97.1	Very high	96.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-47.7	176.1	176.6	60.6	0	0	0	111.1	P417 L426 M430 A451 G456 V457 H461 T462 E466 A467 W468	P417-L464 HydrophobicContact CB-CB 4.19Å; P417-L464 HydrophobicContact CB-CD1 3.86Å; P417-L464 HydrophobicContact CB-CD2 4.05Å; P417-L464 HydrophobicContact CB-CG 4.25Å; P417-L464 HydrophobicContact CG-CD1 3.66Å; P417-L464 HydrophobicContact CG-CD2 3.96Å; P417-L464 HydrophobicContact CG-CG 4.32Å; L426-L464 HydrophobicContact CD2-CB 4.46Å; M430-L464 HydrophobicContact CE-CD1 3.53Å; A451-L464 HydrophobicContact CB-CD2 4.01Å; G456-L464 VanDerWaalsContact C-CD2 3.45Å; V457-L464 HydrophobicContact CG2-CD2 4.11Å; H461-L464 VanDerWaalsContact O-CB 3.28Å; H461-L464 WeakPolarHBondContact O-CB 3.48Å; H461-L464 PolarHBondContact O-N 2.83Å; T462-L464 PolarHBondContact O-N 3.32Å; L464-E466 VanDerWaalsContact C-N 3.33Å; L464-E466 PolarHBondContact O-N 2.99Å; L464-A467 PolarHBondContact O-N 3.34Å; L464-W468 HydrophobicContact CD1-CD2 3.71Å; L464-W468 VanDerWaalsContact CD1-CE2 3.42Å; L464-W468 HydrophobicContact CD1-CE3 4.21Å; L464-W468 HydrophobicContact CD1-CG 4.15Å; L464-W468 HydrophobicContact CD1-CH2 4.28Å; L464-W468 HydrophobicContact CD1-CZ2 3.75Å; L464-W468 HydrophobicContact CD1-CZ3 4.46Å; L464-W468 HydrophobicContact CD2-CE3 4.31Å; L464-W468 HydrophobicContact CD2-CH2 3.76Å; L464-W468 HydrophobicContact CD2-CZ2 4.02Å; L464-W468 HydrophobicContact CD2-CZ3 3.88Å; L464-W468 HydrophobicContact CG-CD2 3.86Å; L464-W468 HydrophobicContact CG-CE3 3.83Å; L464-W468 HydrophobicContact CG-CH2 4.08Å; L464-W468 HydrophobicContact CG-CZ2 4.07Å; L464-W468 HydrophobicContact CG-CZ3 3.93Å; L464-W468 VanDerWaalsContact O-CB 3.24Å; L464-W468 WeakPolarHBondContact O-CB 3.29Å; L464-W468 PolarHBondContact O-N 3.32Å
465	Y	97.4	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-36	-178.8	-73.9	-106.7	0	0	0	111.6	G456 V457 V460 T462 K469 H496 N497 I499 V501	G456-Y465 WeakPolarHBondContact O-CE2 3.46Å; V457-Y465 PolarHBondContact O-OH 3.32Å; V460-Y465 HydrophobicContact CB-CE2 4.45Å; V460-Y465 HydrophobicContact CG1-CD2 4.15Å; V460-Y465 HydrophobicContact CG1-CE2 3.88Å; V460-Y465 HydrophobicContact CG2-CE2 4.24Å; T462-Y465 PolarHBondContact O-N 3.06Å; T462-Y465 VanDerWaalsContact O-N 3.08Å; Y465-K469 WeakPolarHBondContact O-CE 3.39Å; Y465-K469 WeakPolarHBondContact O-CG 3.36Å; Y465-K469 PolarHBondContact O-N 2.91Å; Y465-H496 AromaticContact CD1-CD2 3.8Å; Y465-H496 HydrophobicContact CE1-CB 4.11Å; Y465-H496 AromaticContact CE1-CD2 3.83Å; Y465-H496 AromaticContact CG-CD2 3.97Å; Y465-H496 AromaticContact CZ-CD2 4Å; Y465-N497 HydrophobicContact CD1-CB 4.35Å; Y465-I499 HydrophobicContact CD1-CB 3.87Å; Y465-I499 HydrophobicContact CD1-CD1 3.67Å; Y465-I499 HydrophobicContact CD1-CG1 4Å; Y465-I499 HydrophobicContact CE1-CB 3.99Å; Y465-I499 HydrophobicContact CE1-CD1 4.42Å; Y465-I499 HydrophobicContact CE1-CG2 4.33Å; Y465-I499 HydrophobicContact CG-CD1 4.3Å; Y465-V501 HydrophobicContact CE1-CG2 4.28Å; Y465-V501 WeakPolarHBondContact OH-CG2 3.47Å
466	E	96.8	Very high	96.6	Very high	86 Å²	86	26.4 Å²	26.4	40%	0.402	14%	0.14	S	C	.	.	H	α-helix	trans	-68.2	-48.6	174.8	-68.8	177.6	-179.9	0	0	112.5	V423 T462 L464 W468 K469 S470	V423-E466 HydrophobicContact CG2-CB 4.05Å; T462-E466 HydrophobicContact CG2-CG 4.38Å; T462-E466 WeakPolarHBondContact CG2-OE1 3.33Å; T462-E466 PolarHBondContact O-N 2.9Å; T462-E466 VanDerWaalsContact O-N 3.09Å; L464-E466 VanDerWaalsContact C-N 3.33Å; L464-E466 PolarHBondContact O-N 2.99Å; E466-W468 PolarHBondContact O-N 3.29Å; E466-K469 PolarHBondContact O-N 2.88Å; E466-S470 WeakPolarHBondContact O-CB 3.37Å; E466-S470 PolarHBondContact O-N 3.12Å; E466-S470 PolarHBondContact O-OG 2.79Å
467	A	97.6	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-41.6	177.8	0	0	0	0	0	111.5	V423 L426 A427 M430 Q463 L464 K469 S470 V471	V423-A467 HydrophobicContact CG2-CB 4.27Å; L426-A467 HydrophobicContact CD2-CB 4.02Å; L426-A467 HydrophobicContact CG-CB 4.15Å; A427-A467 HydrophobicContact CB-CB 4.31Å; M430-A467 HydrophobicContact CE-CB 3.83Å; M430-A467 HydrophobicContact SD-CB 3.61Å; Q463-A467 VanDerWaalsContact O-CB 3.25Å; Q463-A467 WeakPolarHBondContact O-CB 3.4Å; Q463-A467 PolarHBondContact O-N 3.06Å; L464-A467 PolarHBondContact O-N 3.34Å; A467-K469 PolarHBondContact O-N 3.34Å; A467-S470 WeakPolarHBondContact CA-OG 3.42Å; A467-S470 PolarHBondContact O-N 2.7Å; A467-S470 PolarHBondContact O-OG 3.25Å; A467-S470 VanDerWaalsContact O-OG 3.13Å; A467-V471 VanDerWaalsContact O-CB 3.28Å; A467-V471 WeakPolarHBondContact O-CB 3.39Å; A467-V471 WeakPolarHBondContact O-CG2 3.35Å; A467-V471 PolarHBondContact O-N 3.16Å
468	W	97.7	Very high	96.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-44.8	175.2	-87.6	-14.4	0	0	0	113.6	M430 A449 A451 V457 L464 E466 W472 G473 I474 T477 I499	M430-W468 VanDerWaalsContact CE-CD1 3.48Å; M430-W468 HydrophobicContact CE-CG 4.31Å; A449-W468 HydrophobicContact CB-CD2 4.36Å; A449-W468 HydrophobicContact CB-CZ2 3.98Å; A451-W468 HydrophobicContact CB-CH2 4.13Å; A451-W468 HydrophobicContact CB-CZ2 3.86Å; V457-W468 HydrophobicContact CG2-CH2 3.61Å; V457-W468 HydrophobicContact CG2-CZ3 4.17Å; L464-W468 HydrophobicContact CD1-CD2 3.71Å; L464-W468 VanDerWaalsContact CD1-CE2 3.42Å; L464-W468 HydrophobicContact CD1-CE3 4.21Å; L464-W468 HydrophobicContact CD1-CG 4.15Å; L464-W468 HydrophobicContact CD1-CH2 4.28Å; L464-W468 HydrophobicContact CD1-CZ2 3.75Å; L464-W468 HydrophobicContact CD1-CZ3 4.46Å; L464-W468 HydrophobicContact CD2-CE3 4.31Å; L464-W468 HydrophobicContact CD2-CH2 3.76Å; L464-W468 HydrophobicContact CD2-CZ2 4.02Å; L464-W468 HydrophobicContact CD2-CZ3 3.88Å; L464-W468 HydrophobicContact CG-CD2 3.86Å; L464-W468 HydrophobicContact CG-CE3 3.83Å; L464-W468 HydrophobicContact CG-CH2 4.08Å; L464-W468 HydrophobicContact CG-CZ2 4.07Å; L464-W468 HydrophobicContact CG-CZ3 3.93Å; L464-W468 VanDerWaalsContact O-CB 3.24Å; L464-W468 WeakPolarHBondContact O-CB 3.29Å; L464-W468 PolarHBondContact O-N 3.32Å; E466-W468 PolarHBondContact O-N 3.29Å; W468-W472 CarbonylContact O-C 3.49Å; W468-W472 WeakPolarHBondContact O-CA 3.47Å; W468-W472 WeakPolarHBondContact O-CB 3.46Å; W468-W472 PolarHBondContact O-N 2.96Å; W468-G473 PolarHBondContact O-N 2.89Å; W468-G473 VanDerWaalsContact O-N 3.07Å; W468-I474 HydrophobicContact CB-CB 3.92Å; W468-I474 HydrophobicContact CB-CG1 3.81Å; W468-I474 HydrophobicContact CG-CB 4.37Å; W468-I474 HydrophobicContact CG-CG1 3.96Å; W468-I474 PolarHBondContact O-N 3.42Å; W468-T477 HydrophobicContact CH2-CG2 4.33Å; W468-T477 VanDerWaalsContact CH2-OG1 3.29Å; W468-T477 WeakPolarHBondContact CH2-OG1 3.49Å; W468-T477 HydrophobicContact CZ3-CG2 3.88Å; W468-I499 HydrophobicContact CB-CD1 4.33Å; W468-I499 HydrophobicContact CE3-CD1 4.15Å
469	K	96.8	Very high	96.9	Very high	80 Å²	80	26.4 Å²	26.4	35%	0.348	14%	0.14	S	C	.	.	H	α-helix	trans	-65.4	-47	177	-76.1	-174.8	-66.8	-179.3	0	111.8	Y465 E466 A467 G473 N497 I499	Y465-K469 WeakPolarHBondContact O-CE 3.39Å; Y465-K469 WeakPolarHBondContact O-CG 3.36Å; Y465-K469 PolarHBondContact O-N 2.91Å; E466-K469 PolarHBondContact O-N 2.88Å; A467-K469 PolarHBondContact O-N 3.34Å; K469-G473 WeakPolarHBondContact O-CA 3.45Å; K469-G473 PolarHBondContact O-N 3.46Å; K469-G473 VanDerWaalsContact O-N 3.09Å; K469-N497 WeakPolarHBondContact CE-O 3.38Å; K469-N497 PolarHBondContact NZ-ND2 3.12Å; K469-N497 VanDerWaalsContact NZ-ND2 3.18Å; K469-N497 PolarHBondContact NZ-O 3.47Å; K469-N497 PolarHBondContact NZ-OD1 3.48Å; K469-I499 HydrophobicContact CD-CG1 4.44Å; K469-I499 HydrophobicContact CG-CD1 4.08Å; K469-I499 HydrophobicContact CG-CG1 4.27Å
470	S	96.6	Very high	96.9	Very high	85 Å²	85	26.9 Å²	26.9	59%	0.594	14%	0.142	S	C	*	.	H	α-helix	trans	-70.9	-41.1	-175.5	55.3	0	0	0	0	113.3	E466 A467	E466-S470 WeakPolarHBondContact O-CB 3.37Å; E466-S470 PolarHBondContact O-N 3.12Å; E466-S470 PolarHBondContact O-OG 2.79Å; A467-S470 WeakPolarHBondContact CA-OG 3.42Å; A467-S470 PolarHBondContact O-N 2.7Å; A467-S470 PolarHBondContact O-OG 3.25Å; A467-S470 VanDerWaalsContact O-OG 3.13Å
471	V	97.4	Very high	97	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-88.6	-38.3	-175	-177.4	0	0	0	0	112.3	A427 M430 K431 R434 A467	A427-V471 HydrophobicContact CB-CG2 3.75Å; M430-V471 HydrophobicContact CB-CB 4.11Å; M430-V471 HydrophobicContact CB-CG1 3.75Å; M430-V471 HydrophobicContact CB-CG2 4.22Å; K431-V471 HydrophobicContact CG-CG1 3.85Å; K431-V471 HydrophobicContact CG-CG2 4.24Å; R434-V471 VanDerWaalsContact CD-O 3.3Å; R434-V471 WeakPolarHBondContact CD-O 3.4Å; R434-V471 PolarHBondContact NH1-O 2.88Å; A467-V471 VanDerWaalsContact O-CB 3.28Å; A467-V471 WeakPolarHBondContact O-CB 3.39Å; A467-V471 WeakPolarHBondContact O-CG2 3.35Å; A467-V471 PolarHBondContact O-N 3.16Å
472	W	96.7	Very high	97.1	Very high	17 Å²	17	27 Å²	27	6%	0.064	14%	0.141	C	C	.	.	H	α-helix	trans	-120.8	-10	-170.4	-72.8	100	0	0	0	114.3	F379 P409 M430 N433 R434 A437 T444 W468 I474	F379-W472 AromaticContact CZ-CH2 3.96Å; F379-W472 HydrophobicContact CZ-CH2 3.96Å; P409-W472 HydrophobicContact CB-CD2 4.03Å; P409-W472 HydrophobicContact CB-CE3 4.35Å; P409-W472 HydrophobicContact CB-CH2 3.89Å; P409-W472 HydrophobicContact CB-CZ2 3.53Å; P409-W472 HydrophobicContact CB-CZ3 4.28Å; P409-W472 HydrophobicContact CG-CD2 3.74Å; P409-W472 HydrophobicContact CG-CE3 4.02Å; P409-W472 HydrophobicContact CG-CG 4.1Å; P409-W472 HydrophobicContact CG-CH2 4.44Å; P409-W472 HydrophobicContact CG-CZ2 4.2Å; P409-W472 HydrophobicContact CG-CZ3 4.36Å; M430-W472 PolarHBondContact O-NE1 3.32Å; N433-W472 HydrophobicContact CB-CZ2 4.14Å; R434-W472 VanDerWaalsContact CA-CZ2 3.43Å; R434-W472 HydrophobicContact CB-CH2 3.65Å; R434-W472 HydrophobicContact CB-CZ2 3.49Å; R434-W472 VanDerWaalsContact CB-CZ2 3.49Å; R434-W472 HydrophobicContact CB-CZ3 4.23Å; R434-W472 HydrophobicContact CG-CE3 4.33Å; R434-W472 HydrophobicContact CG-CH2 3.93Å; R434-W472 HydrophobicContact CG-CZ2 4.17Å; R434-W472 HydrophobicContact CG-CZ3 4.01Å; A437-W472 HydrophobicContact CB-CH2 4.22Å; T444-W472 HydrophobicContact CG2-CZ3 3.95Å; W468-W472 CarbonylContact O-C 3.49Å; W468-W472 WeakPolarHBondContact O-CA 3.47Å; W468-W472 WeakPolarHBondContact O-CB 3.46Å; W468-W472 PolarHBondContact O-N 2.96Å; W472-I474 VanDerWaalsContact C-N 3.27Å; W472-I474 HydrophobicContact CB-CD1 3.54Å; W472-I474 HydrophobicContact CB-CG1 3.64Å; W472-I474 HydrophobicContact CG-CD1 4.42Å; W472-I474 PolarHBondContact O-N 2.88Å
473	G	97.1	Very high	97	Very high	43 Å²	43	26.3 Å²	26.3	44%	0.443	14%	0.138	S	C	.	.			trans	64.5	31.7	-174.5	0	0	0	0	0	113.1	W468 K469 R475	W468-G473 PolarHBondContact O-N 2.89Å; W468-G473 VanDerWaalsContact O-N 3.07Å; K469-G473 WeakPolarHBondContact O-CA 3.45Å; K469-G473 PolarHBondContact O-N 3.46Å; K469-G473 VanDerWaalsContact O-N 3.09Å; G473-R475 PolarHBondContact O-N 2.92Å
474	I	98.1	Very high	96.9	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	14%	0.139	C	C	.	.			trans	-64	135.2	-177.3	-56.3	-52.7	0	0	0	110.9	P409 A449 W468 W472 V476 I499	P409-I474 HydrophobicContact CG-CD1 4.47Å; A449-I474 HydrophobicContact CB-CD1 3.62Å; A449-I474 HydrophobicContact CB-CG1 3.73Å; A449-I474 HydrophobicContact CB-CG2 4.1Å; W468-I474 HydrophobicContact CB-CB 3.92Å; W468-I474 HydrophobicContact CB-CG1 3.81Å; W468-I474 HydrophobicContact CG-CB 4.37Å; W468-I474 HydrophobicContact CG-CG1 3.96Å; W468-I474 PolarHBondContact O-N 3.42Å; W472-I474 VanDerWaalsContact C-N 3.27Å; W472-I474 HydrophobicContact CB-CD1 3.54Å; W472-I474 HydrophobicContact CB-CG1 3.64Å; W472-I474 HydrophobicContact CG-CD1 4.42Å; W472-I474 PolarHBondContact O-N 2.88Å; I474-V476 WeakPolarHBondContact CG2-O 3.33Å; I474-I499 HydrophobicContact CB-CD1 4.45Å; I474-I499 HydrophobicContact CG2-CD1 4.32Å; I474-I499 HydrophobicContact CG2-CG2 4.43Å
475	R	98.3	Very high	96.6	Very high	140 Å²	140	29 Å²	29	53%	0.528	15%	0.151	S	C	.	.			trans	-118.2	-21.4	175.9	-65.5	179.5	-70.6	171.7	-3.2	112.2	G447 G473 I499 K500	G447-R475 PolarHBondContact O-N 3.47Å; G473-R475 PolarHBondContact O-N 2.92Å; R475-I499 WeakPolarHBondContact O-CA 3.41Å; R475-K500 PolarHBondContact O-N 3.08Å
476	V	98.7	Very high	96.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.4	-177.5	-174.7	0	0	0	0	111.1	G447 Y448 A449 I474 K500 L502 V585 A588	G447-V476 PolarHBondContact O-N 3.35Å; Y448-V476 VanDerWaalsContact CA-O 3.32Å; Y448-V476 WeakPolarHBondContact CA-O 3.44Å; Y448-V476 HydrophobicContact CD2-CB 4Å; Y448-V476 HydrophobicContact CD2-CG1 3.82Å; Y448-V476 WeakPolarHBondContact CD2-O 3.47Å; Y448-V476 HydrophobicContact CE2-CG1 4.16Å; A449-V476 PolarHBondContact N-O 3.41Å; I474-V476 WeakPolarHBondContact CG2-O 3.33Å; V476-K500 CarbonylContact C-O 3.52Å; V476-K500 VanDerWaalsContact CA-O 3.25Å; V476-K500 WeakPolarHBondContact CA-O 3.39Å; V476-K500 HydrophobicContact CG2-CB 4.22Å; V476-L502 HydrophobicContact CG1-CD1 3.93Å; V476-L502 HydrophobicContact CG1-CG 4.11Å; V476-V585 HydrophobicContact CG2-CB 4.41Å; V476-V585 HydrophobicContact CG2-CG2 4.16Å; V476-A588 HydrophobicContact CB-CB 4.37Å; V476-A588 HydrophobicContact CG1-CB 3.77Å; V476-A588 HydrophobicContact CG2-CB 3.58Å
477	T	98.7	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	176.3	167.6	-171.6	0	0	0	0	109.7	A449 V457 W468 I499 K500 V501 L502	A449-T477 VanDerWaalsContact O-CA 3.29Å; A449-T477 WeakPolarHBondContact O-CA 3.45Å; A449-T477 WeakPolarHBondContact O-CB 3.46Å; A449-T477 PolarHBondContact O-OG1 2.98Å; V457-T477 HydrophobicContact CG1-CG2 3.76Å; W468-T477 HydrophobicContact CH2-CG2 4.33Å; W468-T477 VanDerWaalsContact CH2-OG1 3.29Å; W468-T477 WeakPolarHBondContact CH2-OG1 3.49Å; W468-T477 HydrophobicContact CZ3-CG2 3.88Å; T477-I499 HydrophobicContact CG2-CG2 3.99Å; T477-K500 PolarHBondContact N-O 3.06Å; T477-V501 HydrophobicContact CG2-CB 4.21Å; T477-V501 HydrophobicContact CG2-CG1 4.11Å; T477-V501 HydrophobicContact CG2-CG2 3.72Å; T477-V501 WeakPolarHBondContact O-CA 3.44Å; T477-L502 PolarHBondContact O-N 3.37Å
478	S	98.3	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.5	174.1	68.4	0	0	0	0	112.4	Y448 H454 L502 R504	Y448-S478 WeakPolarHBondContact OH-CB 3.22Å; Y448-S478 PolarHBondContact OH-OG 3.38Å; H454-S478 PolarHBondContact ND1-O 3.46Å; H454-S478 VanDerWaalsContact ND1-O 3.14Å; S478-L502 WeakPolarHBondContact CA-O 3.49Å; S478-L502 WeakPolarHBondContact CB-O 3.37Å; S478-R504 PolarHBondContact OG-NH1 3.2Å
479	T	97.8	Very high	95.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	145.7	176.8	-174.7	0	0	0	0	111.9	V457 E481 V501 L502 R504	V457-T479 HydrophobicContact CG1-CG2 3.86Å; T479-E481 WeakPolarHBondContact OG1-CB 3.49Å; T479-E481 PolarHBondContact OG1-N 3.08Å; T479-V501 HydrophobicContact CG2-CG1 3.62Å; T479-L502 PolarHBondContact N-O 3.45Å; T479-R504 PolarHBondContact O-N 3.02Å
480	E	95.9	Very high	95.3	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	21%	0.208	C	C	.	.	S	Bend	trans	-88.6	-6.2	168.4	70.4	-80.1	-175.7	0	0	113	H454 L485 R491 R504	H454-E480 IonicContact CD2-OE1 3.95Å; H454-E480 PolarHBondContact CD2-OE1 3.44Å; H454-E480 IonicContact CD2-OE2 3.47Å; H454-E480 PolarHBondContact CD2-OE2 3.18Å; H454-E480 IonicContact CE1-OE2 2.68Å; H454-E480 PolarHBondContact CE1-OE2 3.36Å; H454-E480 VanDerWaalsContact CE1-OE2 3.25Å; H454-E480 IonicContact CG-OE1 2.72Å; H454-E480 IonicContact CG-OE2 2.83Å; H454-E480 IonicContact ND1-OE2 3.89Å; H454-E480 PolarHBondContact ND1-OE2 3.1Å; H454-E480 IonicContact NE2-OE1 3.59Å; H454-E480 IonicContact NE2-OE2 3.68Å; H454-E480 PolarHBondContact NE2-OE2 2.89Å; E480-L485 HydrophobicContact CB-CD1 4.15Å; E480-L485 HydrophobicContact CG-CD1 3.37Å; E480-L485 WeakPolarHBondContact O-CA 3.19Å; E480-R491 PolarHBondContact O-NE 2.99Å; E480-R504 HydrophobicContact CB-CB 4.43Å
481	E	96.2	Very high	95.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.181	C	C	.	.			trans	-86.7	-18	-169.2	-61.9	-72.5	-176.1	0	0	113.3	H454 Y458 T479 P483 H484 R611 H612 I615	H454-E481 HydrophobicContact CB-CG 4.04Å; Y458-E481 HydrophobicContact CD1-CB 4.35Å; Y458-E481 WeakPolarHBondContact CD1-O 3.36Å; Y458-E481 WeakPolarHBondContact O-CB 3.39Å; T479-E481 WeakPolarHBondContact OG1-CB 3.49Å; T479-E481 PolarHBondContact OG1-N 3.08Å; E481-P483 CarbonylContact O-C 3.5Å; E481-P483 VanDerWaalsContact O-C 3.24Å; E481-H484 CarbonylContact O-C 3.58Å; E481-H484 VanDerWaalsContact O-C 3.25Å; E481-H484 WeakPolarHBondContact O-CA 3.44Å; E481-H484 PolarHBondContact O-N 3.14Å; E481-R611 IonicContact OE1-CZ 3.03Å; E481-R611 IonicContact OE1-NE 3.4Å; E481-R611 PolarHBondContact OE1-NE 2.85Å; E481-R611 IonicContact OE1-NH2 3.86Å; E481-R611 PolarHBondContact OE1-NH2 3.45Å; E481-R611 VanDerWaalsContact OE1-NH2 3.12Å; E481-R611 WeakPolarHBondContact OE2-CG 3.44Å; E481-H612 PolarHBondContact O-CE1 2.82Å; E481-H612 PolarHBondContact O-NE2 3.24Å; E481-H612 IonicContact OE2-CD2 2.86Å; E481-H612 IonicContact OE2-NE2 3.62Å; E481-I615 HydrophobicContact CG-CD1 3.99Å
482	Y	96.8	Very high	95.2	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	19%	0.189	C	C	.	.	S	Bend	trans	-100.1	134	-175.5	178.6	-101.3	0	0	0	113.8	Y458 H484 R491 R492 F494 P601 L602	Y458-Y482 HydrophobicContact CD1-CD2 4.1Å; Y458-Y482 AromaticContact CD2-CD2 3.56Å; Y458-Y482 HydrophobicContact CD2-CD2 3.56Å; Y458-Y482 HydrophobicContact CD2-CE2 4.4Å; Y458-Y482 HydrophobicContact CD2-CG 4.32Å; Y458-Y482 AromaticContact CE1-CD2 3.93Å; Y458-Y482 HydrophobicContact CE1-CD2 3.93Å; Y458-Y482 AromaticContact CE2-CD2 3.4Å; Y458-Y482 HydrophobicContact CE2-CD2 3.4Å; Y458-Y482 VanDerWaalsContact CE2-CD2 3.4Å; Y458-Y482 AromaticContact CE2-CE2 3.91Å; Y458-Y482 HydrophobicContact CE2-CE2 3.91Å; Y458-Y482 AromaticContact CG-CD2 3.9Å; Y458-Y482 HydrophobicContact CG-CD2 3.9Å; Y458-Y482 HydrophobicContact CG-CG 4.33Å; Y458-Y482 AromaticContact CZ-CD2 3.57Å; Y482-H484 VanDerWaalsContact C-N 3.27Å; Y482-R491 VanDerWaalsContact O-CA 3.31Å; Y482-R491 WeakPolarHBondContact O-CA 3.46Å; Y482-R492 HydrophobicContact CD1-CB 4.17Å; Y482-R492 WeakPolarHBondContact CD1-O 3.5Å; Y482-R492 HydrophobicContact CE1-CB 3.83Å; Y482-R492 PolarHBondContact O-N 2.8Å; Y482-F494 AromaticContact CD1-CD1 3.41Å; Y482-F494 HydrophobicContact CD1-CD1 3.41Å; Y482-F494 VanDerWaalsContact CD1-CD1 3.41Å; Y482-F494 AromaticContact CD1-CE1 3.89Å; Y482-F494 HydrophobicContact CD1-CE1 3.89Å; Y482-F494 HydrophobicContact CD1-CG 4.4Å; Y482-F494 HydrophobicContact CD2-CD1 4.05Å; Y482-F494 AromaticContact CD2-CE1 3.99Å; Y482-F494 HydrophobicContact CD2-CE1 3.99Å; Y482-F494 HydrophobicContact CE1-CB 4.09Å; Y482-F494 AromaticContact CE1-CD1 3.63Å; Y482-F494 HydrophobicContact CE1-CD1 3.63Å; Y482-F494 HydrophobicContact CE1-CE1 4.45Å; Y482-F494 HydrophobicContact CE1-CG 4.21Å; Y482-F494 HydrophobicContact CE2-CD1 4.28Å; Y482-F494 AromaticContact CG-CD1 3.62Å; Y482-F494 HydrophobicContact CG-CD1 3.62Å; Y482-F494 AromaticContact CG-CE1 3.61Å; Y482-F494 HydrophobicContact CG-CE1 3.61Å; Y482-P601 WeakPolarHBondContact OH-CA 3.39Å; Y482-L602 PolarHBondContact OH-N 3.21Å
483	P	93.3	Very high	95.2	Very high	18 Å²	18	39.8 Å²	39.8	12%	0.117	19%	0.186	C	C	.	.	S	Bend	cis	-75.3	-15	-9.5	32.8	-34.4	0	0	0	112.6	Y458 E481 Y490 Q604 H612	Y458-P483 WeakPolarHBondContact CE1-O 3.36Å; E481-P483 CarbonylContact O-C 3.5Å; E481-P483 VanDerWaalsContact O-C 3.24Å; P483-Y490 WeakPolarHBondContact CD-O 3.46Å; P483-Q604 HydrophobicContact CB-CG 3.7Å; P483-H612 PolarHBondContact O-CE1 3.21Å
484	H	90.9	Very high	95.3	Very high	48 Å²	48	37.8 Å²	37.8	22%	0.222	17%	0.165	C	C	.	.			trans	-148.5	155	173.4	-64.6	-75.3	0	0	0	110.2	E481 Y482 R486 D609 H612	E481-H484 CarbonylContact O-C 3.58Å; E481-H484 VanDerWaalsContact O-C 3.25Å; E481-H484 WeakPolarHBondContact O-CA 3.44Å; E481-H484 PolarHBondContact O-N 3.14Å; Y482-H484 VanDerWaalsContact C-N 3.27Å; H484-R486 VanDerWaalsContact C-N 3.28Å; H484-R486 PolarHBondContact O-N 3.24Å; H484-D609 IonicContact CG-OD2 2.82Å; H484-D609 IonicContact ND1-OD2 2.69Å; H484-D609 PolarHBondContact ND1-OD2 2.95Å; H484-H612 AromaticContact ND1-CE1 3.73Å
485	L	90.9	Very high	95.2	Very high	48 Å²	48	39.7 Å²	39.7	25%	0.251	17%	0.174	S	C	.	.	S	Bend	trans	-60.3	-38.7	174.2	-178.8	63.1	0	0	0	112.3	E480 R491 R611	E480-L485 HydrophobicContact CB-CD1 4.15Å; E480-L485 HydrophobicContact CG-CD1 3.37Å; E480-L485 WeakPolarHBondContact O-CA 3.19Å; L485-R491 PolarHBondContact O-NE 3.17Å; L485-R491 PolarHBondContact O-NH2 3.1Å; L485-R611 HydrophobicContact CD2-CG 4.37Å
486	R	90.8	Very high	95.2	Very high	199 Å²	199	33.3 Å²	33.3	75%	0.751	15%	0.151	S	C	*	.	S	Bend	trans	-137.3	147.3	179.9	-66.2	-171.1	178.6	-170.2	-1.6	111.2	H484	H484-R486 VanDerWaalsContact C-N 3.28Å; H484-R486 PolarHBondContact O-N 3.24Å
487	P	92.4	Very high	95	Very high	44 Å²	44	36.2 Å²	36.2	29%	0.286	17%	0.166	S	C	.	.	S	Bend	cis	-75.4	146.7	-6.4	33	-36.5	0	0	0	112.2	R489 Y490	P487-R489 HydrophobicContact CB-CG 4.17Å; P487-R489 HydrophobicContact CG-CG 4.21Å; P487-R489 PolarHBondContact O-N 3.18Å; P487-R489 VanDerWaalsContact O-N 3.15Å; P487-Y490 HydrophobicContact CG-CD2 3.4Å; P487-Y490 HydrophobicContact CG-CE2 3.45Å; P487-Y490 VanDerWaalsContact CG-CE2 3.45Å; P487-Y490 HydrophobicContact CG-CG 4.06Å; P487-Y490 PolarHBondContact O-N 3.39Å; P487-Y490 VanDerWaalsContact O-N 3.1Å
488	A	91.3	Very high	94.8	Very high	32 Å²	32	39.1 Å²	39.1	26%	0.264	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.1	-29.1	-174.4	0	0	0	0	0	114	Y490 R491	A488-Y490 PolarHBondContact O-N 2.78Å; A488-Y490 VanDerWaalsContact O-N 3.09Å; A488-R491 WeakPolarHBondContact O-CB 3.4Å; A488-R491 WeakPolarHBondContact O-CG 3.33Å; A488-R491 PolarHBondContact O-N 2.89Å
489	R	92.7	Very high	94.8	Very high	87 Å²	87	39.1 Å²	39.1	33%	0.328	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-59.9	-18.9	176.6	66.7	-171.1	-176.2	-113.3	2.5	114.5	E128 S129 P487 R492	E128-R489 HydrophobicContact CB-CG 4.5Å; E128-R489 WeakPolarHBondContact OE2-CD 3.02Å; E128-R489 IonicContact OE2-CZ 2.76Å; E128-R489 IonicContact OE2-NE 2.68Å; E128-R489 PolarHBondContact OE2-NE 2.9Å; E128-R489 IonicContact OE2-NH2 3.44Å; S129-R489 VanDerWaalsContact OG-CB 3.23Å; S129-R489 WeakPolarHBondContact OG-CB 3.25Å; P487-R489 HydrophobicContact CB-CG 4.17Å; P487-R489 HydrophobicContact CG-CG 4.21Å; P487-R489 PolarHBondContact O-N 3.18Å; P487-R489 VanDerWaalsContact O-N 3.15Å; R489-R492 PolarHBondContact O-NH1 2.64Å; R489-R492 PolarHBondContact O-NH2 3.22Å
490	Y	93.2	Very high	94.9	Very high	85 Å²	85	40.9 Å²	40.9	33%	0.333	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-90	-3.1	174.7	-63.7	-25.3	0	0	0	114.2	E128 P483 P487 A488 R492	E128-Y490 HydrophobicContact CB-CE1 4.36Å; E128-Y490 VanDerWaalsContact CD-CE1 3.48Å; E128-Y490 HydrophobicContact CG-CE1 4.22Å; E128-Y490 PolarHBondContact OE1-OH 2.81Å; E128-Y490 VanDerWaalsContact OE2-CE1 3.3Å; E128-Y490 WeakPolarHBondContact OE2-CE1 3.37Å; E128-Y490 PolarHBondContact OE2-OH 2.88Å; P483-Y490 WeakPolarHBondContact CD-O 3.46Å; P487-Y490 HydrophobicContact CG-CD2 3.4Å; P487-Y490 HydrophobicContact CG-CE2 3.45Å; P487-Y490 VanDerWaalsContact CG-CE2 3.45Å; P487-Y490 HydrophobicContact CG-CG 4.06Å; P487-Y490 PolarHBondContact O-N 3.39Å; P487-Y490 VanDerWaalsContact O-N 3.1Å; A488-Y490 PolarHBondContact O-N 2.78Å; A488-Y490 VanDerWaalsContact O-N 3.09Å; Y490-R492 VanDerWaalsContact CA-NH1 3.31Å; Y490-R492 WeakPolarHBondContact O-CG 3.47Å; Y490-R492 PolarHBondContact O-N 3.33Å; Y490-R492 PolarHBondContact O-NH1 3.08Å
491	R	95.1	Very high	95	Very high	6 Å²	6	40.3 Å²	40.3	2%	0.023	20%	0.201	C	C	.	.			trans	-63.7	135.8	178.1	-66.8	175.7	-173.1	156.1	8.5	111.1	R131 E480 Y482 L485 A488 P503 R504	R131-R491 PolarHBondContact NH2-O 3.39Å; E480-R491 PolarHBondContact O-NE 2.99Å; Y482-R491 VanDerWaalsContact O-CA 3.31Å; Y482-R491 WeakPolarHBondContact O-CA 3.46Å; L485-R491 PolarHBondContact O-NE 3.17Å; L485-R491 PolarHBondContact O-NH2 3.1Å; A488-R491 WeakPolarHBondContact O-CB 3.4Å; A488-R491 WeakPolarHBondContact O-CG 3.33Å; A488-R491 PolarHBondContact O-N 2.89Å; R491-P503 HydrophobicContact CB-CB 3.87Å; R491-R504 VanDerWaalsContact CD-O 3.27Å; R491-R504 WeakPolarHBondContact CD-O 3.41Å; R491-R504 PolarHBondContact NH1-O 3.12Å
492	R	95.8	Very high	95.1	Very high	54 Å²	54	40.3 Å²	40.3	20%	0.204	20%	0.201	C	C	.	.			trans	-135.4	163.7	-175.1	-62.1	-68.3	174.1	-84	8.2	109.8	R131 Y482 R489 Y490 E598	R131-R492 VanDerWaalsContact NE-NE 3.15Å; R131-R492 VanDerWaalsContact NH1-CZ 3.34Å; Y482-R492 HydrophobicContact CD1-CB 4.17Å; Y482-R492 WeakPolarHBondContact CD1-O 3.5Å; Y482-R492 HydrophobicContact CE1-CB 3.83Å; Y482-R492 PolarHBondContact O-N 2.8Å; R489-R492 PolarHBondContact O-NH1 2.64Å; R489-R492 PolarHBondContact O-NH2 3.22Å; Y490-R492 VanDerWaalsContact CA-NH1 3.31Å; Y490-R492 WeakPolarHBondContact O-CG 3.47Å; Y490-R492 PolarHBondContact O-N 3.33Å; Y490-R492 PolarHBondContact O-NH1 3.08Å; R492-E598 WeakPolarHBondContact CA-OE2 3.13Å; R492-E598 WeakPolarHBondContact CB-OE2 3.5Å; R492-E598 WeakPolarHBondContact CD-OE1 3.32Å; R492-E598 WeakPolarHBondContact CD-OE2 3.5Å; R492-E598 IonicContact NE-OE1 3.11Å
493	G	97.3	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.			trans	-83.7	166.9	164.8	0	0	0	0	0	110.9	V501 Y591 E598	G493-V501 CarbonylContact C-O 3.47Å; G493-V501 WeakPolarHBondContact CA-O 3.35Å; G493-Y591 PolarHBondContact N-OH 3.39Å; G493-Y591 VanDerWaalsContact N-OH 3.07Å; G493-E598 CarbonylContact C-O 3.57Å; G493-E598 PolarHBondContact N-OE2 3.44Å
494	F	98.1	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	165.9	163.8	66.9	-81.3	0	0	0	110.9	Y458 V460 Y482 H496 V501 F592 E598 P601 W603	Y458-F494 HydrophobicContact CD2-CE1 4.46Å; Y458-F494 HydrophobicContact CD2-CZ 4.26Å; V460-F494 HydrophobicContact CG2-CE2 4.16Å; V460-F494 HydrophobicContact CG2-CZ 4.33Å; Y482-F494 AromaticContact CD1-CD1 3.41Å; Y482-F494 HydrophobicContact CD1-CD1 3.41Å; Y482-F494 VanDerWaalsContact CD1-CD1 3.41Å; Y482-F494 AromaticContact CD1-CE1 3.89Å; Y482-F494 HydrophobicContact CD1-CE1 3.89Å; Y482-F494 HydrophobicContact CD1-CG 4.4Å; Y482-F494 HydrophobicContact CD2-CD1 4.05Å; Y482-F494 AromaticContact CD2-CE1 3.99Å; Y482-F494 HydrophobicContact CD2-CE1 3.99Å; Y482-F494 HydrophobicContact CE1-CB 4.09Å; Y482-F494 AromaticContact CE1-CD1 3.63Å; Y482-F494 HydrophobicContact CE1-CD1 3.63Å; Y482-F494 HydrophobicContact CE1-CE1 4.45Å; Y482-F494 HydrophobicContact CE1-CG 4.21Å; Y482-F494 HydrophobicContact CE2-CD1 4.28Å; Y482-F494 AromaticContact CG-CD1 3.62Å; Y482-F494 HydrophobicContact CG-CD1 3.62Å; Y482-F494 AromaticContact CG-CE1 3.61Å; Y482-F494 HydrophobicContact CG-CE1 3.61Å; F494-H496 HydrophobicContact CD2-CB 3.98Å; F494-H496 HydrophobicContact CE2-CB 3.74Å; F494-V501 HydrophobicContact CD1-CB 3.81Å; F494-V501 HydrophobicContact CD1-CG1 4.04Å; F494-V501 HydrophobicContact CD1-CG2 4.33Å; F494-V501 HydrophobicContact CD2-CB 4.44Å; F494-V501 HydrophobicContact CD2-CG2 4.17Å; F494-V501 HydrophobicContact CE1-CB 3.62Å; F494-V501 HydrophobicContact CE1-CG1 3.48Å; F494-V501 VanDerWaalsContact CE1-CG1 3.48Å; F494-V501 HydrophobicContact CE1-CG2 3.91Å; F494-V501 HydrophobicContact CE2-CB 4.27Å; F494-V501 HydrophobicContact CE2-CG2 3.72Å; F494-V501 HydrophobicContact CG-CB 4.23Å; F494-V501 HydrophobicContact CG-CG2 4.46Å; F494-V501 HydrophobicContact CZ-CB 3.87Å; F494-V501 HydrophobicContact CZ-CG1 3.92Å; F494-V501 HydrophobicContact CZ-CG2 3.59Å; F494-V501 PolarHBondContact N-O 3.48Å; F494-V501 WeakPolarHBondContact O-CB 3.31Å; F494-V501 PolarHBondContact O-N 2.93Å; F494-F592 WeakPolarHBondContact O-CZ 3.49Å; F494-E598 WeakPolarHBondContact CA-O 3.43Å; F494-P601 HydrophobicContact CB-CB 3.97Å; F494-P601 HydrophobicContact CD2-CB 4.07Å; F494-P601 HydrophobicContact CG-CB 4.24Å; F494-W603 HydrophobicContact CD2-CH2 4.01Å; F494-W603 HydrophobicContact CD2-CZ3 4.13Å; F494-W603 AromaticContact CE2-CH2 3.9Å; F494-W603 HydrophobicContact CE2-CH2 3.9Å; F494-W603 AromaticContact CE2-CZ3 3.89Å; F494-W603 HydrophobicContact CE2-CZ3 3.89Å; F494-W603 HydrophobicContact CZ-CZ3 4.48Å
495	I	97.8	Very high	95.6	Very high	46 Å²	46	37.2 Å²	37.2	24%	0.236	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	172.9	-56.3	-177.4	0	0	0	108.5	I499 K500 F592 R599	I495-I499 WeakPolarHBondContact CA-O 3.44Å; I495-K500 HydrophobicContact CD1-CG 4.03Å; I495-K500 HydrophobicContact CG1-CG 3.98Å; I495-F592 HydrophobicContact CD1-CD2 4.37Å; I495-F592 HydrophobicContact CD1-CE2 4.44Å; I495-F592 HydrophobicContact CD1-CG 4.42Å; I495-F592 HydrophobicContact CG1-CD2 4.47Å; I495-F592 HydrophobicContact CG1-CE1 4.07Å; I495-F592 HydrophobicContact CG1-CE2 4.06Å; I495-F592 HydrophobicContact CG1-CZ 3.82Å; I495-R599 HydrophobicContact CD1-CB 4.13Å; I495-R599 HydrophobicContact CD1-CG 3.97Å; I495-R599 HydrophobicContact CG1-CB 4.47Å; I495-R599 PolarHBondContact N-O 3.01Å
496	H	97	Very high	95.7	Very high	7 Å²	7	37 Å²	37	3%	0.032	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.6	173.7	179.5	65.4	0	0	0	110.9	V460 Y465 F494 G498 I499 W603 D673	V460-H496 WeakPolarHBondContact CG1-NE2 3.28Å; Y465-H496 AromaticContact CD1-CD2 3.8Å; Y465-H496 HydrophobicContact CE1-CB 4.11Å; Y465-H496 AromaticContact CE1-CD2 3.83Å; Y465-H496 AromaticContact CG-CD2 3.97Å; Y465-H496 AromaticContact CZ-CD2 4Å; F494-H496 HydrophobicContact CD2-CB 3.98Å; F494-H496 HydrophobicContact CE2-CB 3.74Å; H496-G498 PolarHBondContact O-N 3.41Å; H496-I499 PolarHBondContact N-O 2.84Å; H496-I499 PolarHBondContact O-N 3.42Å; H496-W603 HydrophobicContact CB-CH2 4.16Å; H496-W603 AromaticContact ND1-CH2 3.98Å; H496-W603 AromaticContact ND1-CZ2 3.96Å; H496-D673 PolarHBondContact ND1-O 3.25Å; H496-D673 VanDerWaalsContact ND1-O 3.15Å
497	N	94.8	Very high	95.8	Very high	61 Å²	61	27.8 Å²	27.8	33%	0.326	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	33.2	178.5	-157.5	8.7	0	0	0	114.1	Y465 K469 I499	Y465-N497 HydrophobicContact CD1-CB 4.35Å; K469-N497 WeakPolarHBondContact CE-O 3.38Å; K469-N497 PolarHBondContact NZ-ND2 3.12Å; K469-N497 VanDerWaalsContact NZ-ND2 3.18Å; K469-N497 PolarHBondContact NZ-O 3.47Å; K469-N497 PolarHBondContact NZ-OD1 3.48Å; N497-I499 VanDerWaalsContact C-N 3.31Å; N497-I499 PolarHBondContact O-N 3.22Å
498	G	95.3	Very high	95.6	Very high	62 Å²	62	26.5 Å²	26.5	64%	0.639	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-0.9	-177.5	0	0	0	0	0	115.6	H496	H496-G498 PolarHBondContact O-N 3.41Å
499	I	98.4	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.7	175.9	-56.5	-172.3	0	0	0	109.6	Y465 W468 K469 I474 R475 T477 I495 H496 N497	Y465-I499 HydrophobicContact CD1-CB 3.87Å; Y465-I499 HydrophobicContact CD1-CD1 3.67Å; Y465-I499 HydrophobicContact CD1-CG1 4Å; Y465-I499 HydrophobicContact CE1-CB 3.99Å; Y465-I499 HydrophobicContact CE1-CD1 4.42Å; Y465-I499 HydrophobicContact CE1-CG2 4.33Å; Y465-I499 HydrophobicContact CG-CD1 4.3Å; W468-I499 HydrophobicContact CB-CD1 4.33Å; W468-I499 HydrophobicContact CE3-CD1 4.15Å; K469-I499 HydrophobicContact CD-CG1 4.44Å; K469-I499 HydrophobicContact CG-CD1 4.08Å; K469-I499 HydrophobicContact CG-CG1 4.27Å; I474-I499 HydrophobicContact CB-CD1 4.45Å; I474-I499 HydrophobicContact CG2-CD1 4.32Å; I474-I499 HydrophobicContact CG2-CG2 4.43Å; R475-I499 WeakPolarHBondContact O-CA 3.41Å; T477-I499 HydrophobicContact CG2-CG2 3.99Å; I495-I499 WeakPolarHBondContact CA-O 3.44Å; H496-I499 PolarHBondContact N-O 2.84Å; H496-I499 PolarHBondContact O-N 3.42Å; N497-I499 VanDerWaalsContact C-N 3.31Å; N497-I499 PolarHBondContact O-N 3.22Å
500	K	98.7	Very high	95.4	Very high	38 Å²	38	25.4 Å²	25.4	17%	0.165	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121	174.4	-77.5	171.6	-174	172.2	0	110	R475 V476 T477 I495 A588 E589 F592	R475-K500 PolarHBondContact O-N 3.08Å; V476-K500 CarbonylContact C-O 3.52Å; V476-K500 VanDerWaalsContact CA-O 3.25Å; V476-K500 WeakPolarHBondContact CA-O 3.39Å; V476-K500 HydrophobicContact CG2-CB 4.22Å; T477-K500 PolarHBondContact N-O 3.06Å; I495-K500 HydrophobicContact CD1-CG 4.03Å; I495-K500 HydrophobicContact CG1-CG 3.98Å; K500-A588 HydrophobicContact CB-CB 4.02Å; K500-A588 HydrophobicContact CD-CB 3.92Å; K500-E589 IonicContact NZ-OE1 3.2Å; K500-E589 PolarHBondContact NZ-OE1 3.5Å; K500-E589 IonicContact NZ-OE2 3.27Å; K500-E589 PolarHBondContact NZ-OE2 3.12Å; K500-F592 HydrophobicContact CB-CD2 4.36Å; K500-F592 HydrophobicContact CB-CE2 3.72Å; K500-F592 HydrophobicContact CD-CD2 3.91Å; K500-F592 HydrophobicContact CD-CE2 4.14Å; K500-F592 HydrophobicContact CG-CD2 3.9Å; K500-F592 HydrophobicContact CG-CE2 3.65Å
501	V	98.6	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.6	178.1	-173.2	0	0	0	0	108.8	V457 Y465 T477 T479 G493 F494	V457-V501 HydrophobicContact CG1-CG1 3.81Å; V457-V501 HydrophobicContact CG1-CG2 4.5Å; Y465-V501 HydrophobicContact CE1-CG2 4.28Å; Y465-V501 WeakPolarHBondContact OH-CG2 3.47Å; T477-V501 HydrophobicContact CG2-CB 4.21Å; T477-V501 HydrophobicContact CG2-CG1 4.11Å; T477-V501 HydrophobicContact CG2-CG2 3.72Å; T477-V501 WeakPolarHBondContact O-CA 3.44Å; T479-V501 HydrophobicContact CG2-CG1 3.62Å; G493-V501 CarbonylContact C-O 3.47Å; G493-V501 WeakPolarHBondContact CA-O 3.35Å; F494-V501 HydrophobicContact CD1-CB 3.81Å; F494-V501 HydrophobicContact CD1-CG1 4.04Å; F494-V501 HydrophobicContact CD1-CG2 4.33Å; F494-V501 HydrophobicContact CD2-CB 4.44Å; F494-V501 HydrophobicContact CD2-CG2 4.17Å; F494-V501 HydrophobicContact CE1-CB 3.62Å; F494-V501 HydrophobicContact CE1-CG1 3.48Å; F494-V501 VanDerWaalsContact CE1-CG1 3.48Å; F494-V501 HydrophobicContact CE1-CG2 3.91Å; F494-V501 HydrophobicContact CE2-CB 4.27Å; F494-V501 HydrophobicContact CE2-CG2 3.72Å; F494-V501 HydrophobicContact CG-CB 4.23Å; F494-V501 HydrophobicContact CG-CG2 4.46Å; F494-V501 HydrophobicContact CZ-CB 3.87Å; F494-V501 HydrophobicContact CZ-CG1 3.92Å; F494-V501 HydrophobicContact CZ-CG2 3.59Å; F494-V501 PolarHBondContact N-O 3.48Å; F494-V501 WeakPolarHBondContact O-CB 3.31Å; F494-V501 PolarHBondContact O-N 2.93Å
502	L	98.4	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145	-180	-58.1	-178.3	0	0	0	111.9	V476 T477 S478 T479 R504 I546 L587 A588 Y591 F592	V476-L502 HydrophobicContact CG1-CD1 3.93Å; V476-L502 HydrophobicContact CG1-CG 4.11Å; T477-L502 PolarHBondContact O-N 3.37Å; S478-L502 WeakPolarHBondContact CA-O 3.49Å; S478-L502 WeakPolarHBondContact CB-O 3.37Å; T479-L502 PolarHBondContact N-O 3.45Å; L502-R504 PolarHBondContact O-N 3.15Å; L502-I546 HydrophobicContact CB-CD1 3.63Å; L502-I546 HydrophobicContact CD1-CD1 3.66Å; L502-I546 HydrophobicContact CG-CD1 4.3Å; L502-L587 HydrophobicContact CD1-CG 4.43Å; L502-A588 HydrophobicContact CD1-CB 3.91Å; L502-A588 HydrophobicContact CD2-CB 3.95Å; L502-A588 HydrophobicContact CG-CB 4.2Å; L502-Y591 HydrophobicContact CD2-CD1 4.06Å; L502-Y591 HydrophobicContact CD2-CD2 4.26Å; L502-Y591 HydrophobicContact CD2-CG 3.72Å; L502-F592 HydrophobicContact CD2-CE2 4.05Å
503	P	97.4	Very high	94	Very high	5 Å²	5	28 Å²	28	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.8	176.2	29.5	-34	0	0	0	110.7	R491 Y591	R491-P503 HydrophobicContact CB-CB 3.87Å; P503-Y591 VanDerWaalsContact CD-CE2 3.5Å; P503-Y591 HydrophobicContact CG-CD2 4.45Å; P503-Y591 HydrophobicContact CG-CE2 3.49Å; P503-Y591 VanDerWaalsContact CG-CE2 3.49Å; P503-Y591 WeakPolarHBondContact CG-OH 3.46Å
504	R	96.8	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146	178.1	-158.5	179.3	177.3	116.9	-10.9	111	D338 D340 Y448 V450 H454 S478 T479 E480 R491 L502 I546 M548	D338-R504 IonicContact OD2-CZ 3.88Å; D338-R504 IonicContact OD2-NH1 2.7Å; D338-R504 PolarHBondContact OD2-NH1 3.37Å; D338-R504 IonicContact OD2-NH2 3.11Å; D340-R504 IonicContact OD1-CZ 2.8Å; D340-R504 IonicContact OD1-NH2 2.84Å; D340-R504 PolarHBondContact OD1-NH2 3.38Å; D340-R504 IonicContact OD2-CZ 2.77Å; D340-R504 IonicContact OD2-NH2 3.08Å; D340-R504 PolarHBondContact OD2-NH2 2.79Å; Y448-R504 PolarHBondContact OH-NH1 3.28Å; V450-R504 VanDerWaalsContact CG2-NH1 3.26Å; H454-R504 WeakPolarHBondContact CE1-CD 3.27Å; S478-R504 PolarHBondContact OG-NH1 3.2Å; T479-R504 PolarHBondContact O-N 3.02Å; E480-R504 HydrophobicContact CB-CB 4.43Å; R491-R504 VanDerWaalsContact CD-O 3.27Å; R491-R504 WeakPolarHBondContact CD-O 3.41Å; R491-R504 PolarHBondContact NH1-O 3.12Å; L502-R504 PolarHBondContact O-N 3.15Å; R504-I546 HydrophobicContact CG-CB 4.4Å; R504-I546 HydrophobicContact CG-CG2 4.13Å; R504-I546 WeakPolarHBondContact CG-O 3.39Å; R504-M548 HydrophobicContact CG-CB 4.31Å; R504-M548 VanDerWaalsContact NE-CB 3.28Å
505	Q	96.1	Very high	93.1	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.9	-176.1	-50.7	-49.2	-34.2	0	0	110.9	T538 I546 F547 M548	Q505-T538 HydrophobicContact CB-CG2 4.14Å; Q505-T538 HydrophobicContact CG-CG2 3.88Å; Q505-I546 PolarHBondContact N-O 3.32Å; Q505-F547 HydrophobicContact CB-CD1 3.77Å; Q505-F547 HydrophobicContact CB-CE1 3.85Å; Q505-M548 PolarHBondContact O-N 3.26Å
506	T	93.4	Very high	92.6	Very high	43 Å²	43	29.3 Å²	29.3	26%	0.264	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.3	171.3	47.1	0	0	0	0	108.5
507	C	92.8	Very high	92	Very high	5 Å²	5	33 Å²	33	3%	0.034	19%	0.187	C	C	.	.			trans	-109.8	7.7	180	63	0	0	0	0	113.9	L509 L535 F547 M548 F564	C507-L509 PolarHBondContact O-N 3.11Å; C507-L535 HydrophobicContact CB-CD1 3.99Å; C507-F547 HydrophobicContact CB-CD1 3.98Å; C507-M548 PolarHBondContact SG-O 3.39Å; C507-F564 HydrophobicContact CB-CZ 4.23Å
508	G	89.7	Confident	91.6	Very high	18 Å²	18	36.6 Å²	36.6	19%	0.186	20%	0.201	C	C	.	.	S	Bend	trans	76.8	3.9	-176	0	0	0	0	0	114.2	Y519	G508-Y519 WeakPolarHBondContact O-CE2 3.42Å; G508-Y519 PolarHBondContact O-OH 2.96Å
509	L	91.4	Very high	91.3	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	18%	0.176	C	C	.	.			trans	-98.1	117.3	169.7	-56	177.9	0	0	0	109.2	C507 T513 Y519 L526 T549 N553 L559 T563	C507-L509 PolarHBondContact O-N 3.11Å; L509-T513 HydrophobicContact CD2-CG2 4.2Å; L509-Y519 HydrophobicContact CD2-CE2 4.13Å; L509-L526 HydrophobicContact CD2-CD1 4.16Å; L509-L526 HydrophobicContact CD2-CD2 4.4Å; L509-T549 HydrophobicContact CD1-CG2 4.37Å; L509-N553 HydrophobicContact CD1-CB 4.44Å; L509-L559 HydrophobicContact CD2-CB 4.03Å; L509-T563 HydrophobicContact CD1-CG2 4.44Å
510	F	87.6	Confident	90.7	Very high	91 Å²	91	37.7 Å²	37.7	40%	0.399	19%	0.194	S	C	.	.			trans	-101.5	168.8	175.1	-55.3	-77.9	0	0	0	110.5	H512 T513 N553	F510-H512 VanDerWaalsContact CB-CE1 3.44Å; F510-H512 WeakPolarHBondContact CB-CE1 3.44Å; F510-H512 AromaticContact CG-CE1 3.97Å; F510-H512 PolarHBondContact O-N 3.37Å; F510-H512 VanDerWaalsContact O-N 3.08Å; F510-T513 WeakPolarHBondContact CB-OG1 3.09Å; F510-T513 PolarHBondContact N-OG1 3.24Å; F510-T513 VanDerWaalsContact N-OG1 3.13Å; F510-T513 WeakPolarHBondContact O-CB 3.25Å; F510-T513 PolarHBondContact O-N 3.38Å; F510-N553 PolarHBondContact O-ND2 3.39Å
511	T	84	Confident	90	Very high	67 Å²	67	39.4 Å²	39.4	41%	0.411	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.9	179.6	47.9	0	0	0	0	114.1	H550 S552	T511-H550 HydrophobicContact CG2-CB 4.04Å; T511-H550 WeakPolarHBondContact CG2-CD2 3.42Å; T511-H550 VanDerWaalsContact CG2-CG 3.45Å; T511-S552 PolarHBondContact O-OG 3.45Å
512	H	84.2	Confident	89.4	Confident	129 Å²	129	40.7 Å²	40.7	60%	0.597	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-4	177.9	61.5	-83.2	0	0	0	113.3	F510 I514	F510-H512 VanDerWaalsContact CB-CE1 3.44Å; F510-H512 WeakPolarHBondContact CB-CE1 3.44Å; F510-H512 AromaticContact CG-CE1 3.97Å; F510-H512 PolarHBondContact O-N 3.37Å; F510-H512 VanDerWaalsContact O-N 3.08Å; H512-I514 VanDerWaalsContact C-N 3.34Å; H512-I514 PolarHBondContact O-N 2.95Å; H512-I514 VanDerWaalsContact O-N 3.08Å
513	T	85.8	Confident	88.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	25%	0.246	C	C	.	.			trans	-84.7	82.1	177.4	-49	0	0	0	0	108.6	L509 F510 Y519 N553 L559	L509-T513 HydrophobicContact CD2-CG2 4.2Å; F510-T513 WeakPolarHBondContact CB-OG1 3.09Å; F510-T513 PolarHBondContact N-OG1 3.24Å; F510-T513 VanDerWaalsContact N-OG1 3.13Å; F510-T513 WeakPolarHBondContact O-CB 3.25Å; F510-T513 PolarHBondContact O-N 3.38Å; T513-Y519 HydrophobicContact CG2-CD2 3.34Å; T513-Y519 HydrophobicContact CG2-CE2 3.74Å; T513-Y519 HydrophobicContact CG2-CG 4.35Å; T513-N553 PolarHBondContact O-ND2 3.45Å; T513-N553 VanDerWaalsContact O-ND2 3.09Å; T513-L559 HydrophobicContact CG2-CD1 3.97Å
514	I	88	Confident	88.5	Confident	17 Å²	17	50 Å²	50	9%	0.087	28%	0.28	C	S	.	.			trans	-107.5	-41.1	-171.9	-60.2	171.4	0	0	0	111.1	T349 H512 N556 D557	T349-I514 HydrophobicContact CG2-CD1 3.48Å; T349-I514 VanDerWaalsContact CG2-CD1 3.48Å; H512-I514 VanDerWaalsContact C-N 3.34Å; H512-I514 PolarHBondContact O-N 2.95Å; H512-I514 VanDerWaalsContact O-N 3.08Å; I514-N556 HydrophobicContact CG2-CB 3.63Å; I514-D557 WeakPolarHBondContact O-CB 3.17Å
515	F	89.8	Confident	88.2	Confident	43 Å²	43	53.9 Å²	53.9	19%	0.189	30%	0.298	C	S	.	.	S	Bend	trans	-105.9	139.7	-176.7	-59.6	-73.2	0	0	0	111.8	N517 E518 Y519 N556 D557	F515-N517 PolarHBondContact O-N 3.35Å; F515-E518 HydrophobicContact CB-CB 4.13Å; F515-E518 HydrophobicContact CB-CG 4.01Å; F515-E518 WeakPolarHBondContact CD2-OE2 3.33Å; F515-E518 PolarHBondContact O-N 2.92Å; F515-E518 VanDerWaalsContact O-N 3.15Å; F515-Y519 PolarHBondContact O-N 3.26Å; F515-N556 HydrophobicContact CD1-CB 4.44Å; F515-N556 HydrophobicContact CE1-CB 3.75Å; F515-N556 HydrophobicContact CZ-CB 4.21Å; F515-D557 VanDerWaalsContact CA-OD2 3.28Å; F515-D557 WeakPolarHBondContact CA-OD2 3.42Å
516	Y	86.4	Confident	88	Confident	14 Å²	14	53.5 Å²	53.5	6%	0.055	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62	-44	-173.7	-174.8	-118.2	0	0	0	112.6	P51 P52 E518 Y519 S523 L526 D527 D557 L559 Y562	P51-Y516 HydrophobicContact CB-CD1 4.49Å; P51-Y516 HydrophobicContact CB-CD2 4.38Å; P51-Y516 HydrophobicContact CB-CG 4.12Å; P52-Y516 HydrophobicContact CG-CE1 3.97Å; Y516-E518 PolarHBondContact O-N 3.46Å; Y516-Y519 WeakPolarHBondContact O-CB 3.42Å; Y516-Y519 PolarHBondContact O-N 2.96Å; Y516-S523 WeakPolarHBondContact O-CB 3.34Å; Y516-L526 HydrophobicContact CD2-CD2 4.18Å; Y516-L526 HydrophobicContact CE2-CD2 4.11Å; Y516-D527 PolarHBondContact OH-OD1 3.26Å; Y516-D527 PolarHBondContact OH-OD2 3.44Å; Y516-D527 VanDerWaalsContact OH-OD2 3.06Å; Y516-D557 PolarHBondContact N-OD2 2.99Å; Y516-L559 HydrophobicContact CD2-CD2 3.96Å; Y516-L559 HydrophobicContact CG-CD2 4.38Å; Y516-Y562 HydrophobicContact CE2-CD1 4.45Å; Y516-Y562 AromaticContact CE2-CE1 3.94Å; Y516-Y562 HydrophobicContact CE2-CE1 3.94Å
517	N	85.2	Confident	88	Confident	86 Å²	86	53 Å²	53	46%	0.46	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-74.6	-13.7	-179.2	-66	-28.6	0	0	0	113.3	F515	F515-N517 PolarHBondContact O-N 3.35Å
518	E	86.4	Confident	87.9	Confident	136 Å²	136	58.6 Å²	58.6	64%	0.636	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-100.3	5.9	177.2	-58.9	-178.3	-179.9	0	0	112.3	F515 Y516	F515-E518 HydrophobicContact CB-CB 4.13Å; F515-E518 HydrophobicContact CB-CG 4.01Å; F515-E518 WeakPolarHBondContact CD2-OE2 3.33Å; F515-E518 PolarHBondContact O-N 2.92Å; F515-E518 VanDerWaalsContact O-N 3.15Å; Y516-E518 PolarHBondContact O-N 3.46Å
519	Y	88.8	Confident	88.2	Confident	25 Å²	25	58.4 Å²	58.4	10%	0.098	31%	0.311	C	S	.	.	S	Bend	trans	-54	135.5	175.5	-171.8	-92.3	0	0	0	110.4	G508 L509 T513 F515 Y516 G521 G522 E525 L526	G508-Y519 WeakPolarHBondContact O-CE2 3.42Å; G508-Y519 PolarHBondContact O-OH 2.96Å; L509-Y519 HydrophobicContact CD2-CE2 4.13Å; T513-Y519 HydrophobicContact CG2-CD2 3.34Å; T513-Y519 HydrophobicContact CG2-CE2 3.74Å; T513-Y519 HydrophobicContact CG2-CG 4.35Å; F515-Y519 PolarHBondContact O-N 3.26Å; Y516-Y519 WeakPolarHBondContact O-CB 3.42Å; Y516-Y519 PolarHBondContact O-N 2.96Å; Y519-G521 PolarHBondContact O-N 3.29Å; Y519-G521 VanDerWaalsContact O-N 3.09Å; Y519-G522 WeakPolarHBondContact CD1-O 3.27Å; Y519-G522 WeakPolarHBondContact O-CA 3.46Å; Y519-G522 PolarHBondContact O-N 3.22Å; Y519-E525 HydrophobicContact CD1-CB 4.2Å; Y519-E525 HydrophobicContact CE1-CB 4.02Å; Y519-L526 HydrophobicContact CD1-CB 4.04Å; Y519-L526 HydrophobicContact CD2-CB 3.94Å; Y519-L526 HydrophobicContact CD2-CD1 4.48Å; Y519-L526 HydrophobicContact CD2-CD2 4.18Å; Y519-L526 HydrophobicContact CD2-CG 4.43Å; Y519-L526 HydrophobicContact CE1-CB 4.04Å; Y519-L526 HydrophobicContact CE2-CB 3.97Å; Y519-L526 HydrophobicContact CE2-CD1 3.9Å; Y519-L526 HydrophobicContact CE2-CD2 4.39Å; Y519-L526 HydrophobicContact CE2-CG 4.3Å; Y519-L526 HydrophobicContact CG-CB 4Å
520	P	85.3	Confident	88.4	Confident	59 Å²	59	58.2 Å²	58.2	38%	0.383	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	117.5	179	-26.6	35.1	0	0	0	112.3
521	G	84.4	Confident	88.5	Confident	75 Å²	75	57.9 Å²	57.9	77%	0.773	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	1	-174.2	0	0	0	0	0	114.9	Y519 E525	Y519-G521 PolarHBondContact O-N 3.29Å; Y519-G521 VanDerWaalsContact O-N 3.09Å; G521-E525 WeakPolarHBondContact O-CG 3.26Å
522	G	86.3	Confident	88.8	Confident	27 Å²	27	54.9 Å²	54.9	28%	0.278	29%	0.291	S	S	.	.			trans	93.8	159.4	179.9	0	0	0	0	0	113.1	Y519 K524 E525	Y519-G522 WeakPolarHBondContact CD1-O 3.27Å; Y519-G522 WeakPolarHBondContact O-CA 3.46Å; Y519-G522 PolarHBondContact O-N 3.22Å; G522-K524 PolarHBondContact O-N 3.4Å; G522-K524 VanDerWaalsContact O-N 3.11Å; G522-E525 PolarHBondContact O-N 3.33Å
523	S	86.4	Confident	89.3	Confident	29 Å²	29	49.5 Å²	49.5	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-51.3	-36.2	-178.7	43.1	0	0	0	0	114.5	Y516 E525 L526 D527	Y516-S523 WeakPolarHBondContact O-CB 3.34Å; S523-E525 PolarHBondContact O-N 3.06Å; S523-L526 PolarHBondContact O-N 3.33Å; S523-D527 PolarHBondContact O-N 3.29Å
524	K	89.1	Confident	89.7	Confident	171 Å²	171	55.2 Å²	55.2	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-62	-25.9	178	-66.8	-174.6	-179.9	179.5	0	113.8	G522 K528	G522-K524 PolarHBondContact O-N 3.4Å; G522-K524 VanDerWaalsContact O-N 3.11Å; K524-K528 VanDerWaalsContact O-CB 3.25Å; K524-K528 WeakPolarHBondContact O-CB 3.49Å; K524-K528 PolarHBondContact O-N 3.26Å
525	E	91.6	Very high	90.1	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-73.8	-33.5	178	-70.8	-60.5	133.6	0	0	111.8	Y519 G521 G522 S523 K528 S529	Y519-E525 HydrophobicContact CD1-CB 4.2Å; Y519-E525 HydrophobicContact CE1-CB 4.02Å; G521-E525 WeakPolarHBondContact O-CG 3.26Å; G522-E525 PolarHBondContact O-N 3.33Å; S523-E525 PolarHBondContact O-N 3.06Å; E525-K528 PolarHBondContact O-N 2.84Å; E525-K528 IonicContact OE1-NZ 2.86Å; E525-K528 IonicContact OE2-NZ 3.01Å; E525-K528 PolarHBondContact OE2-NZ 3.09Å; E525-S529 WeakPolarHBondContact O-CB 3.35Å; E525-S529 PolarHBondContact O-N 3.03Å
526	L	92.3	Very high	90.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-48.8	170.5	-180	57.3	0	0	0	110.5	L509 Y516 Y519 S523 K528 S529 I530 Y562 T563	L509-L526 HydrophobicContact CD2-CD1 4.16Å; L509-L526 HydrophobicContact CD2-CD2 4.4Å; Y516-L526 HydrophobicContact CD2-CD2 4.18Å; Y516-L526 HydrophobicContact CE2-CD2 4.11Å; Y519-L526 HydrophobicContact CD1-CB 4.04Å; Y519-L526 HydrophobicContact CD2-CB 3.94Å; Y519-L526 HydrophobicContact CD2-CD1 4.48Å; Y519-L526 HydrophobicContact CD2-CD2 4.18Å; Y519-L526 HydrophobicContact CD2-CG 4.43Å; Y519-L526 HydrophobicContact CE1-CB 4.04Å; Y519-L526 HydrophobicContact CE2-CB 3.97Å; Y519-L526 HydrophobicContact CE2-CD1 3.9Å; Y519-L526 HydrophobicContact CE2-CD2 4.39Å; Y519-L526 HydrophobicContact CE2-CG 4.3Å; Y519-L526 HydrophobicContact CG-CB 4Å; S523-L526 PolarHBondContact O-N 3.33Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.3Å; L526-S529 WeakPolarHBondContact O-CB 3.11Å; L526-S529 PolarHBondContact O-N 3.38Å; L526-S529 VanDerWaalsContact O-N 3.13Å; L526-I530 HydrophobicContact CD1-CD1 4.1Å; L526-I530 HydrophobicContact CD1-CG1 4.49Å; L526-I530 HydrophobicContact CG-CD1 4.01Å; L526-I530 WeakPolarHBondContact O-CG1 3.4Å; L526-I530 PolarHBondContact O-N 3.07Å; L526-Y562 HydrophobicContact CD2-CD1 4.16Å; L526-Y562 HydrophobicContact CD2-CE1 4.36Å; L526-T563 HydrophobicContact CD1-CG2 4.43Å
527	D	92.1	Very high	90.9	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-43.7	176.8	-78.7	-3.5	0	0	0	112.3	Y516 S523 I530 K531 Y562	Y516-D527 PolarHBondContact OH-OD1 3.26Å; Y516-D527 PolarHBondContact OH-OD2 3.44Å; Y516-D527 VanDerWaalsContact OH-OD2 3.06Å; S523-D527 PolarHBondContact O-N 3.29Å; D527-I530 PolarHBondContact O-N 2.88Å; D527-K531 VanDerWaalsContact O-CB 3.3Å; D527-K531 WeakPolarHBondContact O-CB 3.42Å; D527-K531 WeakPolarHBondContact O-CG 3.43Å; D527-K531 PolarHBondContact O-N 3.06Å; D527-Y562 PolarHBondContact OD1-OH 2.9Å
528	K	92.2	Very high	91.4	Very high	123 Å²	123	50 Å²	50	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-38.4	177.8	-178.2	-176.9	171.7	-165.5	0	111.9	K524 E525 L526 I530 G533	K524-K528 VanDerWaalsContact O-CB 3.25Å; K524-K528 WeakPolarHBondContact O-CB 3.49Å; K524-K528 PolarHBondContact O-N 3.26Å; E525-K528 PolarHBondContact O-N 2.84Å; E525-K528 IonicContact OE1-NZ 2.86Å; E525-K528 IonicContact OE2-NZ 3.01Å; E525-K528 PolarHBondContact OE2-NZ 3.09Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 3.3Å; K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.38Å; K528-G533 WeakPolarHBondContact O-CA 3.31Å; K528-G533 PolarHBondContact O-N 3.36Å
529	S	94.6	Very high	91.9	Very high	14 Å²	14	43.6 Å²	43.6	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-40.5	174.1	-172.4	0	0	0	0	111.6	E525 L526 G533 E534 L535 F536	E525-S529 WeakPolarHBondContact O-CB 3.35Å; E525-S529 PolarHBondContact O-N 3.03Å; L526-S529 WeakPolarHBondContact O-CB 3.11Å; L526-S529 PolarHBondContact O-N 3.38Å; L526-S529 VanDerWaalsContact O-N 3.13Å; S529-G533 CarbonylContact O-C 3.52Å; S529-G533 WeakPolarHBondContact O-CA 3.21Å; S529-G533 PolarHBondContact O-N 3.49Å; S529-E534 PolarHBondContact O-N 3.07Å; S529-L535 WeakPolarHBondContact O-CB 3.35Å; S529-L535 PolarHBondContact O-N 2.83Å; S529-L535 VanDerWaalsContact O-N 3.13Å; S529-L535 PolarHBondContact OG-N 3.47Å; S529-F536 PolarHBondContact O-N 3.27Å
530	I	95.4	Very high	92.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.6	-45.9	178.1	-61.2	161.1	0	0	0	111.7	F55 L526 D527 K528 G532 L535 F536 Y562 T563 L567	F55-I530 HydrophobicContact CE2-CB 4.42Å; F55-I530 HydrophobicContact CE2-CG2 3.87Å; L526-I530 HydrophobicContact CD1-CD1 4.1Å; L526-I530 HydrophobicContact CD1-CG1 4.49Å; L526-I530 HydrophobicContact CG-CD1 4.01Å; L526-I530 WeakPolarHBondContact O-CG1 3.4Å; L526-I530 PolarHBondContact O-N 3.07Å; D527-I530 PolarHBondContact O-N 2.88Å; K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.38Å; I530-G532 PolarHBondContact O-N 3.45Å; I530-G532 VanDerWaalsContact O-N 3.15Å; I530-L535 HydrophobicContact CG1-CD2 4.1Å; I530-F536 WeakPolarHBondContact O-CB 3.09Å; I530-Y562 HydrophobicContact CD1-CD1 4.44Å; I530-Y562 HydrophobicContact CD1-CE1 4.08Å; I530-T563 HydrophobicContact CD1-CG2 4.19Å; I530-T563 HydrophobicContact CG1-CG2 4.22Å; I530-L567 HydrophobicContact CG2-CB 4.11Å; I530-L567 HydrophobicContact CG2-CD1 4.46Å
531	K	91.2	Very high	92.9	Very high	85 Å²	85	40.1 Å²	40.1	37%	0.37	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	77.8	-175.8	-68	-179.7	175.4	165.4	0	111.7	F55 D527 G533 F570	F55-K531 HydrophobicContact CE2-CD 4.33Å; F55-K531 VanDerWaalsContact CE2-CE 3.48Å; F55-K531 HydrophobicContact CE2-CG 4.01Å; F55-K531 HydrophobicContact CZ-CD 4.21Å; F55-K531 HydrophobicContact CZ-CG 4.32Å; D527-K531 VanDerWaalsContact O-CB 3.3Å; D527-K531 WeakPolarHBondContact O-CB 3.42Å; D527-K531 WeakPolarHBondContact O-CG 3.43Å; D527-K531 PolarHBondContact O-N 3.06Å; K531-G533 PolarHBondContact O-N 3.09Å; K531-F570 HydrophobicContact CB-CD2 4.36Å; K531-F570 HydrophobicContact CB-CE2 3.97Å; K531-F570 HydrophobicContact CB-CZ 4.24Å; K531-F570 HydrophobicContact CG-CD2 3.99Å; K531-F570 HydrophobicContact CG-CE2 4.01Å
532	G	90.1	Very high	93.4	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1.2	175.5	0	0	0	0	0	114.8	W309 I530 F570	W309-G532 WeakPolarHBondContact CB-O 3.38Å; I530-G532 PolarHBondContact O-N 3.45Å; I530-G532 VanDerWaalsContact O-N 3.15Å; G532-F570 VanDerWaalsContact N-CE1 3.29Å
533	G	94.2	Very high	93.9	Very high	17 Å²	17	37 Å²	37	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	-85	-154.6	176.5	0	0	0	0	0	114.2	K528 S529 K531 L535 F536 L537	K528-G533 WeakPolarHBondContact O-CA 3.31Å; K528-G533 PolarHBondContact O-N 3.36Å; S529-G533 CarbonylContact O-C 3.52Å; S529-G533 WeakPolarHBondContact O-CA 3.21Å; S529-G533 PolarHBondContact O-N 3.49Å; K531-G533 PolarHBondContact O-N 3.09Å; G533-L535 PolarHBondContact O-N 2.91Å; G533-F536 PolarHBondContact O-N 2.96Å; G533-L537 WeakPolarHBondContact O-CB 3.23Å; G533-L537 VanDerWaalsContact O-CG 3.27Å; G533-L537 WeakPolarHBondContact O-CG 3.23Å; G533-L537 PolarHBondContact O-N 2.47Å
534	E	93.6	Very high	94.4	Very high	122 Å²	122	35.9 Å²	35.9	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-58.8	-42.6	-169.9	-172.1	-178.2	176.7	0	0	113.4	S529 L537 T538	S529-E534 PolarHBondContact O-N 3.07Å; E534-L537 PolarHBondContact O-N 3.42Å; E534-T538 WeakPolarHBondContact O-CB 3.47Å; E534-T538 PolarHBondContact O-N 2.91Å; E534-T538 PolarHBondContact O-OG1 3.2Å
535	L	95.8	Very high	94.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-42.5	-178.8	-173.8	60.3	0	0	0	111.6	C507 S529 I530 G533 T538 V539 F547 T563 L567	C507-L535 HydrophobicContact CB-CD1 3.99Å; S529-L535 WeakPolarHBondContact O-CB 3.35Å; S529-L535 PolarHBondContact O-N 2.83Å; S529-L535 VanDerWaalsContact O-N 3.13Å; S529-L535 PolarHBondContact OG-N 3.47Å; I530-L535 HydrophobicContact CG1-CD2 4.1Å; G533-L535 PolarHBondContact O-N 2.91Å; L535-T538 WeakPolarHBondContact O-CB 3.14Å; L535-T538 PolarHBondContact O-N 3.18Å; L535-V539 PolarHBondContact O-N 3.04Å; L535-F547 HydrophobicContact CD1-CD1 3.88Å; L535-F547 HydrophobicContact CD1-CE1 3.29Å; L535-F547 HydrophobicContact CD1-CZ 3.74Å; L535-T563 HydrophobicContact CD2-CG2 3.4Å; L535-T563 VanDerWaalsContact CD2-CG2 3.4Å; L535-L567 HydrophobicContact CB-CD1 4.49Å; L535-L567 HydrophobicContact CD1-CD2 4.12Å; L535-L567 HydrophobicContact CD2-CB 4.42Å; L535-L567 HydrophobicContact CD2-CD1 4.28Å; L535-L567 HydrophobicContact CD2-CD2 3.83Å; L535-L567 HydrophobicContact CD2-CG 4.4Å; L535-L567 HydrophobicContact CG-CD1 3.93Å; L535-L567 HydrophobicContact CG-CD2 3.64Å; L535-L567 HydrophobicContact CG-CG 4.33Å
536	F	97.1	Very high	95.1	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-48.1	172.2	170.8	-102.8	0	0	0	111.9	W309 L313 S529 I530 G533 T538 V539 L540 L567 F570 V571 T575	W309-F536 HydrophobicContact CE3-CE1 4.24Å; L313-F536 HydrophobicContact CD1-CZ 4.17Å; L313-F536 HydrophobicContact CD2-CZ 4.34Å; S529-F536 PolarHBondContact O-N 3.27Å; I530-F536 WeakPolarHBondContact O-CB 3.09Å; G533-F536 PolarHBondContact O-N 2.96Å; F536-T538 PolarHBondContact O-N 2.93Å; F536-V539 PolarHBondContact O-N 2.97Å; F536-V539 VanDerWaalsContact O-N 3.13Å; F536-L540 HydrophobicContact CE1-CD2 4.13Å; F536-L540 PolarHBondContact O-N 3.23Å; F536-L567 HydrophobicContact CB-CD1 4.39Å; F536-F570 AromaticContact CD2-CD1 3.67Å; F536-F570 HydrophobicContact CD2-CD1 3.67Å; F536-F570 AromaticContact CD2-CE1 3.75Å; F536-F570 HydrophobicContact CD2-CE1 3.75Å; F536-F570 HydrophobicContact CE2-CD1 4.08Å; F536-F570 AromaticContact CE2-CE1 3.98Å; F536-F570 HydrophobicContact CE2-CE1 3.98Å; F536-F570 HydrophobicContact CG-CD1 4.26Å; F536-F570 HydrophobicContact CG-CE1 4.05Å; F536-F570 HydrophobicContact CZ-CE1 4.45Å; F536-V571 HydrophobicContact CD2-CG2 3.84Å; F536-V571 HydrophobicContact CE2-CG2 4.13Å; F536-T575 HydrophobicContact CE2-CG2 3.93Å; F536-T575 HydrophobicContact CZ-CG2 3.95Å
537	L	96.4	Very high	95.4	Very high	30 Å²	30	23.9 Å²	23.9	16%	0.157	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-33	179.6	-69.4	172.9	0	0	0	112.2	K312 G533 E534 L540 L541	K312-L537 HydrophobicContact CB-CD2 4.01Å; K312-L537 HydrophobicContact CD-CD1 3.57Å; K312-L537 HydrophobicContact CD-CD2 3.79Å; K312-L537 HydrophobicContact CD-CG 4.3Å; G533-L537 WeakPolarHBondContact O-CB 3.23Å; G533-L537 VanDerWaalsContact O-CG 3.27Å; G533-L537 WeakPolarHBondContact O-CG 3.23Å; G533-L537 PolarHBondContact O-N 2.47Å; E534-L537 PolarHBondContact O-N 3.42Å; L537-L540 HydrophobicContact CD2-CD2 3.94Å; L537-L540 PolarHBondContact O-N 3.47Å; L537-L541 WeakPolarHBondContact O-CB 3.2Å; L537-L541 VanDerWaalsContact O-CG 3.32Å; L537-L541 WeakPolarHBondContact O-CG 3.39Å; L537-L541 PolarHBondContact O-N 3.37Å
538	T	96.3	Very high	95.6	Very high	18 Å²	18	23.7 Å²	23.7	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.1	-60.4	0	0	0	0	110.8	Q505 E534 L535 F536 N542 F547	Q505-T538 HydrophobicContact CB-CG2 4.14Å; Q505-T538 HydrophobicContact CG-CG2 3.88Å; E534-T538 WeakPolarHBondContact O-CB 3.47Å; E534-T538 PolarHBondContact O-N 2.91Å; E534-T538 PolarHBondContact O-OG1 3.2Å; L535-T538 WeakPolarHBondContact O-CB 3.14Å; L535-T538 PolarHBondContact O-N 3.18Å; F536-T538 PolarHBondContact O-N 2.93Å; T538-N542 VanDerWaalsContact O-CB 3.28Å; T538-N542 WeakPolarHBondContact O-CB 3.39Å; T538-N542 PolarHBondContact O-N 2.86Å; T538-N542 PolarHBondContact O-ND2 3.21Å; T538-F547 HydrophobicContact CG2-CE1 3.84Å; T538-F547 HydrophobicContact CG2-CZ 3.97Å
539	V	97.4	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-37.6	175.7	178	0	0	0	0	111.5	R333 I335 L535 F536 L541 F547 L567 V571 L579	R333-V539 WeakPolarHBondContact CD-O 3.48Å; R333-V539 HydrophobicContact CG-CG1 4.25Å; R333-V539 PolarHBondContact NE-O 3.19Å; I335-V539 HydrophobicContact CD1-CG1 4.08Å; I335-V539 HydrophobicContact CD1-CG2 4.03Å; L535-V539 PolarHBondContact O-N 3.04Å; F536-V539 PolarHBondContact O-N 2.97Å; F536-V539 VanDerWaalsContact O-N 3.13Å; V539-L541 PolarHBondContact O-N 2.96Å; V539-F547 HydrophobicContact CG2-CE2 4.18Å; V539-F547 HydrophobicContact CG2-CZ 3.91Å; V539-L567 HydrophobicContact CG2-CD2 3.95Å; V539-V571 HydrophobicContact CG1-CG1 4.48Å; V539-V571 HydrophobicContact CG1-CG2 4.22Å; V539-L579 HydrophobicContact CG1-CD2 3.95Å
540	L	96.9	Very high	96	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-46.5	178.8	179.1	62.1	0	0	0	111.7	I232 L313 V316 R333 F536 L537 L577	I232-L540 HydrophobicContact CD1-CD1 4.44Å; I232-L540 HydrophobicContact CG2-CD1 3.68Å; L313-L540 HydrophobicContact CD1-CD1 3.5Å; L313-L540 VanDerWaalsContact CD1-CD1 3.5Å; L313-L540 HydrophobicContact CD1-CD2 3.87Å; L313-L540 HydrophobicContact CD1-CG 4.34Å; V316-L540 HydrophobicContact CG2-CD2 4.23Å; R333-L540 PolarHBondContact NE-O 2.73Å; R333-L540 PolarHBondContact NH2-O 2.84Å; F536-L540 HydrophobicContact CE1-CD2 4.13Å; F536-L540 PolarHBondContact O-N 3.23Å; L537-L540 HydrophobicContact CD2-CD2 3.94Å; L537-L540 PolarHBondContact O-N 3.47Å; L540-L577 HydrophobicContact CD1-CD1 4.32Å
541	L	96.7	Very high	96	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.052	9%	0.094	C	C	.	.	H	α-helix	trans	-96.4	-13.6	-167.7	-57.9	174.4	0	0	0	114.2	I126 V316 L329 L537 V539	I126-L541 HydrophobicContact CG1-CD1 4.34Å; I126-L541 HydrophobicContact CG2-CD2 3.97Å; V316-L541 HydrophobicContact CG2-CD2 3.79Å; L329-L541 VanDerWaalsContact CD1-O 3.3Å; L329-L541 WeakPolarHBondContact CD1-O 3.31Å; L537-L541 WeakPolarHBondContact O-CB 3.2Å; L537-L541 VanDerWaalsContact O-CG 3.32Å; L537-L541 WeakPolarHBondContact O-CG 3.39Å; L537-L541 PolarHBondContact O-N 3.37Å; V539-L541 PolarHBondContact O-N 2.96Å
542	N	95.8	Very high	96.2	Very high	23 Å²	23	14.6 Å²	14.6	12%	0.123	8%	0.08	C	C	.	.			trans	-113.9	118.5	179.7	-61.9	-82.5	0	0	0	111.6	R333 T538 I544	R333-N542 WeakPolarHBondContact CD-O 3.44Å; T538-N542 VanDerWaalsContact O-CB 3.28Å; T538-N542 WeakPolarHBondContact O-CB 3.39Å; T538-N542 PolarHBondContact O-N 2.86Å; T538-N542 PolarHBondContact O-ND2 3.21Å; N542-I544 PolarHBondContact O-N 3.39Å
543	P	96.7	Very high	96.4	Very high	13 Å²	13	14.5 Å²	14.5	8%	0.084	8%	0.078	C	C	.	.	S	Bend	trans	-59.5	-25.2	174.4	-27.1	36.3	0	0	0	114.6	L329 R333 H334 I594 F595	L329-P543 HydrophobicContact CD2-CG 4.24Å; R333-P543 WeakPolarHBondContact CA-O 3.38Å; H334-P543 PolarHBondContact N-O 3.07Å; H334-P543 PolarHBondContact ND1-O 3.13Å; P543-I594 HydrophobicContact CB-CD1 4.29Å; P543-F595 HydrophobicContact CG-CZ 4.17Å
544	I	97.4	Very high	96.5	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.031	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.1	179.1	-65.2	174.5	0	0	0	108.2	H334 N542 L587 K590 Y591 I594	H334-I544 HydrophobicContact CB-CG1 4.06Å; H334-I544 CarbonylContact O-C 3.53Å; H334-I544 WeakPolarHBondContact O-CA 3.47Å; N542-I544 PolarHBondContact O-N 3.39Å; I544-L587 HydrophobicContact CD1-CD1 4.08Å; I544-L587 HydrophobicContact CG1-CD1 4.07Å; I544-L587 HydrophobicContact CG2-CD1 3.75Å; I544-L587 HydrophobicContact CG2-CD2 4Å; I544-L587 HydrophobicContact CG2-CG 3.89Å; I544-K590 HydrophobicContact CD1-CB 4.36Å; I544-K590 HydrophobicContact CD1-CG 4.32Å; I544-Y591 HydrophobicContact CB-CD2 4.26Å; I544-Y591 VanDerWaalsContact CD1-CA 3.49Å; I544-Y591 HydrophobicContact CD1-CD2 3.86Å; I544-Y591 HydrophobicContact CD1-CG 4.29Å; I544-Y591 HydrophobicContact CG2-CD2 4.35Å; I544-I594 HydrophobicContact CD1-CD1 4.1Å; I544-I594 HydrophobicContact CG1-CD1 4.49Å
545	S	97.3	Very high	96.5	Very high	1 Å²	1	8 Å²	8	1%	0.007	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119	177.7	-62.4	0	0	0	0	110.4	H334 I335 L336	H334-S545 PolarHBondContact O-N 2.7Å; I335-S545 WeakPolarHBondContact CA-O 3.43Å; L336-S545 PolarHBondContact N-O 3.4Å
546	I	98.3	Very high	96.2	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.7	170.1	-55.1	174.1	0	0	0	106.8	L336 L502 R504 Q505 L587	L336-I546 HydrophobicContact CB-CG1 4.25Å; L336-I546 HydrophobicContact CB-CG2 4.39Å; L336-I546 HydrophobicContact CD2-CD1 4.49Å; L336-I546 HydrophobicContact CD2-CG1 4.27Å; L336-I546 HydrophobicContact CD2-CG2 4.06Å; L336-I546 HydrophobicContact CG-CG2 4.37Å; L336-I546 CarbonylContact O-C 3.48Å; L336-I546 WeakPolarHBondContact O-CA 2.9Å; L502-I546 HydrophobicContact CB-CD1 3.63Å; L502-I546 HydrophobicContact CD1-CD1 3.66Å; L502-I546 HydrophobicContact CG-CD1 4.3Å; R504-I546 HydrophobicContact CG-CB 4.4Å; R504-I546 HydrophobicContact CG-CG2 4.13Å; R504-I546 WeakPolarHBondContact CG-O 3.39Å; Q505-I546 PolarHBondContact N-O 3.32Å; I546-L587 HydrophobicContact CD1-CD2 4.12Å; I546-L587 HydrophobicContact CG1-CD2 3.93Å
547	F	98.1	Very high	96	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.9	-179.3	-66.4	-76.1	0	0	0	111.1	I335 L336 D338 Q505 C507 L535 T538 V539 F564	I335-F547 HydrophobicContact CG2-CD2 3.92Å; I335-F547 HydrophobicContact CG2-CE2 3.93Å; L336-F547 PolarHBondContact O-N 3.27Å; D338-F547 PolarHBondContact N-O 3.04Å; Q505-F547 HydrophobicContact CB-CD1 3.77Å; Q505-F547 HydrophobicContact CB-CE1 3.85Å; C507-F547 HydrophobicContact CB-CD1 3.98Å; L535-F547 HydrophobicContact CD1-CD1 3.88Å; L535-F547 HydrophobicContact CD1-CE1 3.29Å; L535-F547 HydrophobicContact CD1-CZ 3.74Å; T538-F547 HydrophobicContact CG2-CE1 3.84Å; T538-F547 HydrophobicContact CG2-CZ 3.97Å; V539-F547 HydrophobicContact CG2-CE2 4.18Å; V539-F547 HydrophobicContact CG2-CZ 3.91Å; F547-F564 HydrophobicContact CB-CE1 3.89Å; F547-F564 HydrophobicContact CB-CZ 3.58Å; F547-F564 HydrophobicContact CD1-CE1 4.45Å; F547-F564 AromaticContact CD2-CE1 3.65Å; F547-F564 HydrophobicContact CD2-CE1 3.65Å; F547-F564 HydrophobicContact CD2-CZ 4.26Å; F547-F564 HydrophobicContact CE2-CE1 4.29Å; F547-F564 AromaticContact CG-CE1 3.73Å; F547-F564 HydrophobicContact CG-CE1 3.73Å; F547-F564 AromaticContact CG-CZ 3.94Å; F547-F564 HydrophobicContact CG-CZ 3.94Å
548	M	95.9	Very high	96	Very high	28 Å²	28	13.4 Å²	13.4	14%	0.138	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.6	170.4	-171.2	171	72.9	0	0	110.6	D340 H454 R504 Q505 C507	D340-M548 WeakPolarHBondContact OD2-CG 3.09Å; H454-M548 PolarHBondContact NE2-SD 3.46Å; R504-M548 HydrophobicContact CG-CB 4.31Å; R504-M548 VanDerWaalsContact NE-CB 3.28Å; Q505-M548 PolarHBondContact O-N 3.26Å; C507-M548 PolarHBondContact SG-O 3.39Å
549	T	97.4	Very high	95.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	174.1	165.9	55.6	0	0	0	0	109.5	V337 D338 D340 L509 Y554 F564	V337-T549 HydrophobicContact CG1-CG2 4.35Å; D338-T549 PolarHBondContact O-N 3.48Å; D338-T549 PolarHBondContact O-OG1 3.11Å; D340-T549 PolarHBondContact N-O 3.14Å; L509-T549 HydrophobicContact CD1-CG2 4.37Å; T549-Y554 WeakPolarHBondContact OG1-CE2 2.87Å; T549-Y554 PolarHBondContact OG1-OH 2.79Å; T549-F564 HydrophobicContact CG2-CE2 3.7Å; T549-F564 HydrophobicContact CG2-CZ 4.15Å
550	H	97.2	Very high	95.9	Very high	21 Å²	21	12.6 Å²	12.6	10%	0.097	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157.6	-179.5	-50.3	77.8	0	0	0	109.8	D340 D341 T511 S552 N553 Y554	D340-H550 CarbonylContact O-C 3.53Å; D340-H550 WeakPolarHBondContact O-CA 3.36Å; D341-H550 HydrophobicContact CB-CB 4.49Å; D341-H550 IonicContact OD2-CD2 2.74Å; D341-H550 PolarHBondContact OD2-CD2 3.17Å; T511-H550 HydrophobicContact CG2-CB 4.04Å; T511-H550 WeakPolarHBondContact CG2-CD2 3.42Å; T511-H550 VanDerWaalsContact CG2-CG 3.45Å; H550-S552 PolarHBondContact O-N 3.25Å; H550-S552 VanDerWaalsContact O-N 3.08Å; H550-N553 PolarHBondContact N-OD1 2.82Å; H550-N553 WeakPolarHBondContact O-CB 3.3Å; H550-N553 PolarHBondContact O-N 3.33Å; H550-N553 PolarHBondContact O-OD1 3.3Å; H550-Y554 WeakPolarHBondContact O-CD2 3.49Å
551	L	96.5	Very high	95.9	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-45	-41.7	176.3	169.5	150.7	0	0	0	113.2	D340 D341 I342 R350 M351 N553 Y554 G555	D340-L551 PolarHBondContact O-N 3.06Å; D341-L551 WeakPolarHBondContact O-CB 3.24Å; I342-L551 HydrophobicContact CD1-CB 4.19Å; I342-L551 HydrophobicContact CD1-CD1 4.2Å; R350-L551 HydrophobicContact CB-CD2 4.27Å; M351-L551 HydrophobicContact CE-CB 4.47Å; M351-L551 HydrophobicContact CE-CD1 3.91Å; M351-L551 HydrophobicContact CE-CG 3.83Å; M351-L551 HydrophobicContact CG-CG 4.44Å; L551-N553 PolarHBondContact O-N 2.93Å; L551-N553 VanDerWaalsContact O-N 3.15Å; L551-Y554 PolarHBondContact O-N 2.94Å; L551-G555 PolarHBondContact O-N 3Å
552	S	94.5	Very high	95.8	Very high	9 Å²	9	13 Å²	13	6%	0.063	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-64.1	-19.4	-179.5	58.4	0	0	0	0	114.3	T511 H550 Y554	T511-S552 PolarHBondContact O-OG 3.45Å; H550-S552 PolarHBondContact O-N 3.25Å; H550-S552 VanDerWaalsContact O-N 3.08Å; S552-Y554 PolarHBondContact O-N 2.79Å
553	N	95.8	Very high	95.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-76	-11	175.1	-55.1	137.1	0	0	0	113	L509 F510 T513 H550 L551 R558 L559 G560	L509-N553 HydrophobicContact CD1-CB 4.44Å; F510-N553 PolarHBondContact O-ND2 3.39Å; T513-N553 PolarHBondContact O-ND2 3.45Å; T513-N553 VanDerWaalsContact O-ND2 3.09Å; H550-N553 PolarHBondContact N-OD1 2.82Å; H550-N553 WeakPolarHBondContact O-CB 3.3Å; H550-N553 PolarHBondContact O-N 3.33Å; H550-N553 PolarHBondContact O-OD1 3.3Å; L551-N553 PolarHBondContact O-N 2.93Å; L551-N553 VanDerWaalsContact O-N 3.15Å; N553-R558 CarbonylContact O-C 3.57Å; N553-R558 VanDerWaalsContact O-C 3.28Å; N553-R558 WeakPolarHBondContact O-CA 3.39Å; N553-L559 PolarHBondContact O-N 3.44Å; N553-G560 PolarHBondContact O-N 3.15Å
554	Y	96.6	Very high	95.9	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-10.9	-177.9	-63.4	-90.9	0	0	0	113.1	V337 V339 M351 L359 F375 T549 H550 L551 S552 R558 L561	V337-Y554 VanDerWaalsContact CG1-OH 3.29Å; V337-Y554 WeakPolarHBondContact CG1-OH 3.48Å; V339-Y554 HydrophobicContact CB-CE2 4.11Å; V339-Y554 HydrophobicContact CG1-CD2 3.65Å; V339-Y554 HydrophobicContact CG1-CE2 3.57Å; V339-Y554 HydrophobicContact CG2-CD2 4.24Å; V339-Y554 HydrophobicContact CG2-CE1 4.46Å; V339-Y554 HydrophobicContact CG2-CE2 3.49Å; V339-Y554 VanDerWaalsContact CG2-CE2 3.49Å; M351-Y554 VanDerWaalsContact SD-CB 3.59Å; L359-Y554 HydrophobicContact CD1-CD1 3.59Å; L359-Y554 HydrophobicContact CD1-CE1 3.78Å; L359-Y554 HydrophobicContact CD1-CG 4.44Å; F375-Y554 HydrophobicContact CD1-CE1 4.42Å; F375-Y554 AromaticContact CE1-CE1 3.87Å; F375-Y554 HydrophobicContact CE1-CE1 3.87Å; F375-Y554 HydrophobicContact CZ-CE1 4.14Å; T549-Y554 WeakPolarHBondContact OG1-CE2 2.87Å; T549-Y554 PolarHBondContact OG1-OH 2.79Å; H550-Y554 WeakPolarHBondContact O-CD2 3.49Å; L551-Y554 PolarHBondContact O-N 2.94Å; S552-Y554 PolarHBondContact O-N 2.79Å; Y554-R558 WeakPolarHBondContact O-CG 3.37Å; Y554-L561 HydrophobicContact CD1-CD2 3.53Å; Y554-L561 HydrophobicContact CD1-CG 3.88Å; Y554-L561 HydrophobicContact CE1-CD2 3.64Å; Y554-L561 HydrophobicContact CE1-CG 4.3Å
555	G	91.9	Very high	95.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-83.8	172.2	166.2	0	0	0	0	0	112.3	L551 D557 R558	L551-G555 PolarHBondContact O-N 3Å; G555-D557 PolarHBondContact O-N 2.67Å; G555-D557 VanDerWaalsContact O-N 3.08Å; G555-R558 PolarHBondContact O-N 3.5Å
556	N	91	Very high	95.8	Very high	46 Å²	46	11.8 Å²	11.8	25%	0.246	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-108.1	175.3	-65.6	-77	0	0	0	113.5	G348 I514 F515 R558	G348-N556 PolarHBondContact O-ND2 3.03Å; G348-N556 VanDerWaalsContact O-ND2 3.08Å; I514-N556 HydrophobicContact CG2-CB 3.63Å; F515-N556 HydrophobicContact CD1-CB 4.44Å; F515-N556 HydrophobicContact CE1-CB 3.75Å; F515-N556 HydrophobicContact CZ-CB 4.21Å; N556-R558 VanDerWaalsContact C-N 3.28Å; N556-R558 PolarHBondContact O-N 2.55Å
557	D	93.1	Very high	95.7	Very high	29 Å²	29	11.8 Å²	11.8	16%	0.155	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.6	-178.7	-76.1	8.4	0	0	0	112.8	P51 I514 F515 Y516 G555 L559	P51-D557 HydrophobicContact CG-CB 3.65Å; P51-D557 VanDerWaalsContact CG-O 3.29Å; P51-D557 WeakPolarHBondContact CG-O 3.26Å; I514-D557 WeakPolarHBondContact O-CB 3.17Å; F515-D557 VanDerWaalsContact CA-OD2 3.28Å; F515-D557 WeakPolarHBondContact CA-OD2 3.42Å; Y516-D557 PolarHBondContact N-OD2 2.99Å; G555-D557 PolarHBondContact O-N 2.67Å; G555-D557 VanDerWaalsContact O-N 3.08Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 HydrophobicContact CB-CD2 3.97Å; D557-L559 HydrophobicContact CB-CG 4.33Å; D557-L559 PolarHBondContact O-N 3.38Å
558	R	95.1	Very high	95.7	Very high	73 Å²	73	12 Å²	12	28%	0.275	6%	0.057	S	C	.	.			trans	58.1	40.9	172.9	-48.3	170.1	-178.1	172.9	-5.9	113.4	S354 D355 A358 N553 Y554 G555 N556 G560 L561 Y562	S354-R558 PolarHBondContact O-NH2 3.18Å; S354-R558 PolarHBondContact OG-NH2 2.82Å; D355-R558 IonicContact OD1-CZ 2.7Å; D355-R558 IonicContact OD1-NE 3.47Å; D355-R558 PolarHBondContact OD1-NE 3.03Å; D355-R558 IonicContact OD1-NH2 3.49Å; D355-R558 PolarHBondContact OD1-NH2 2.81Å; A358-R558 VanDerWaalsContact CB-NH1 3.32Å; N553-R558 CarbonylContact O-C 3.57Å; N553-R558 VanDerWaalsContact O-C 3.28Å; N553-R558 WeakPolarHBondContact O-CA 3.39Å; Y554-R558 WeakPolarHBondContact O-CG 3.37Å; G555-R558 PolarHBondContact O-N 3.5Å; N556-R558 VanDerWaalsContact C-N 3.28Å; N556-R558 PolarHBondContact O-N 2.55Å; R558-G560 PolarHBondContact O-N 2.8Å; R558-G560 VanDerWaalsContact O-N 3.12Å; R558-L561 HydrophobicContact CB-CB 4.3Å; R558-L561 HydrophobicContact CB-CD1 3.91Å; R558-L561 HydrophobicContact CB-CG 4.11Å; R558-L561 HydrophobicContact CG-CD1 4.35Å; R558-L561 WeakPolarHBondContact O-CB 3.34Å; R558-L561 PolarHBondContact O-N 3.2Å; R558-Y562 PolarHBondContact O-N 2Å; R558-Y562 VanDerWaalsContact O-N 3.17Å
559	L	95.2	Very high	95.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.5	-31	-176	-59.9	-172.9	0	0	0	113.6	P51 L509 T513 Y516 N553 D557 Y562 T563	P51-L559 HydrophobicContact CG-CD2 4.18Å; L509-L559 HydrophobicContact CD2-CB 4.03Å; T513-L559 HydrophobicContact CG2-CD1 3.97Å; Y516-L559 HydrophobicContact CD2-CD2 3.96Å; Y516-L559 HydrophobicContact CG-CD2 4.38Å; N553-L559 PolarHBondContact O-N 3.44Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 HydrophobicContact CB-CD2 3.97Å; D557-L559 HydrophobicContact CB-CG 4.33Å; D557-L559 PolarHBondContact O-N 3.38Å; L559-Y562 PolarHBondContact O-N 3.22Å; L559-T563 VanDerWaalsContact O-CB 3.23Å; L559-T563 WeakPolarHBondContact O-CB 3.42Å; L559-T563 PolarHBondContact O-N 3.39Å; L559-T563 PolarHBondContact O-OG1 2.76Å
560	G	96.3	Very high	95.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-45.4	173.1	0	0	0	0	0	112.3	N553 R558 T563 F564	N553-G560 PolarHBondContact O-N 3.15Å; R558-G560 PolarHBondContact O-N 2.8Å; R558-G560 VanDerWaalsContact O-N 3.12Å; G560-T563 PolarHBondContact O-N 3.27Å; G560-F564 VanDerWaalsContact O-CD2 3.22Å; G560-F564 WeakPolarHBondContact O-CD2 3.44Å; G560-F564 PolarHBondContact O-N 2.68Å
561	L	97.1	Very high	95.4	Very high	10 Å²	10	11.7 Å²	11.7	5%	0.052	6%	0.055	C	C	.	.	H	α-helix	trans	-65.2	-48.9	178.2	-56.2	-175.2	0	0	0	111	A358 L359 T362 F375 Y554 R558 T563 E565	A358-L561 HydrophobicContact CB-CD1 3.79Å; L359-L561 HydrophobicContact CD1-CD2 3.73Å; T362-L561 HydrophobicContact CG2-CB 4.22Å; T362-L561 HydrophobicContact CG2-CD2 4.01Å; F375-L561 HydrophobicContact CE2-CD2 4.29Å; F375-L561 HydrophobicContact CZ-CD2 4Å; Y554-L561 HydrophobicContact CD1-CD2 3.53Å; Y554-L561 HydrophobicContact CD1-CG 3.88Å; Y554-L561 HydrophobicContact CE1-CD2 3.64Å; Y554-L561 HydrophobicContact CE1-CG 4.3Å; R558-L561 HydrophobicContact CB-CB 4.3Å; R558-L561 HydrophobicContact CB-CD1 3.91Å; R558-L561 HydrophobicContact CB-CG 4.11Å; R558-L561 HydrophobicContact CG-CD1 4.35Å; R558-L561 WeakPolarHBondContact O-CB 3.34Å; R558-L561 PolarHBondContact O-N 3.2Å; L561-T563 VanDerWaalsContact C-N 3.3Å; L561-T563 PolarHBondContact O-N 3.14Å; L561-E565 WeakPolarHBondContact O-CB 3.47Å; L561-E565 PolarHBondContact O-N 2.7Å; L561-E565 VanDerWaalsContact O-N 3.08Å
562	Y	95.6	Very high	95.3	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.035	7%	0.068	C	C	.	.	H	α-helix	trans	-54.9	-47.1	177.1	174.7	-102.7	0	0	0	111.7	P52 P54 F55 Y516 L526 D527 I530 R558 L559 S566	P52-Y562 HydrophobicContact CG-CE2 4.01Å; P52-Y562 WeakPolarHBondContact O-CD2 3.32Å; P52-Y562 VanDerWaalsContact O-CE2 3.23Å; P52-Y562 WeakPolarHBondContact O-CE2 3.28Å; P54-Y562 HydrophobicContact CG-CD2 4.32Å; F55-Y562 WeakPolarHBondContact CE1-OH 3.33Å; F55-Y562 WeakPolarHBondContact CZ-OH 3.37Å; Y516-Y562 HydrophobicContact CE2-CD1 4.45Å; Y516-Y562 AromaticContact CE2-CE1 3.94Å; Y516-Y562 HydrophobicContact CE2-CE1 3.94Å; L526-Y562 HydrophobicContact CD2-CD1 4.16Å; L526-Y562 HydrophobicContact CD2-CE1 4.36Å; D527-Y562 PolarHBondContact OD1-OH 2.9Å; I530-Y562 HydrophobicContact CD1-CD1 4.44Å; I530-Y562 HydrophobicContact CD1-CE1 4.08Å; R558-Y562 PolarHBondContact O-N 2Å; R558-Y562 VanDerWaalsContact O-N 3.17Å; L559-Y562 PolarHBondContact O-N 3.22Å; Y562-S566 WeakPolarHBondContact O-CB 3.46Å; Y562-S566 PolarHBondContact O-N 2.82Å; Y562-S566 PolarHBondContact O-OG 3.15Å
563	T	96.2	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-51.9	-174.9	-62.2	0	0	0	0	111.9	L509 L526 I530 L535 L559 G560 L561 L567	L509-T563 HydrophobicContact CD1-CG2 4.44Å; L526-T563 HydrophobicContact CD1-CG2 4.43Å; I530-T563 HydrophobicContact CD1-CG2 4.19Å; I530-T563 HydrophobicContact CG1-CG2 4.22Å; L535-T563 HydrophobicContact CD2-CG2 3.4Å; L535-T563 VanDerWaalsContact CD2-CG2 3.4Å; L559-T563 VanDerWaalsContact O-CB 3.23Å; L559-T563 WeakPolarHBondContact O-CB 3.42Å; L559-T563 PolarHBondContact O-N 3.39Å; L559-T563 PolarHBondContact O-OG1 2.76Å; G560-T563 PolarHBondContact O-N 3.27Å; L561-T563 VanDerWaalsContact C-N 3.3Å; L561-T563 PolarHBondContact O-N 3.14Å; T563-L567 VanDerWaalsContact O-CB 3.24Å; T563-L567 WeakPolarHBondContact O-CB 3.46Å; T563-L567 PolarHBondContact O-N 3.09Å
564	F	97.5	Very high	95	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.013	7%	0.072	C	C	.	.	H	α-helix	trans	-77.5	-34.6	-174.8	-69.4	-66.8	0	0	0	113.4	V337 C507 F547 T549 G560 S566 L567 V568	V337-F564 HydrophobicContact CB-CE2 4.38Å; V337-F564 HydrophobicContact CG1-CD2 3.96Å; V337-F564 HydrophobicContact CG1-CE2 3.47Å; V337-F564 VanDerWaalsContact CG1-CE2 3.47Å; V337-F564 HydrophobicContact CG1-CZ 3.92Å; V337-F564 HydrophobicContact CG2-CD1 3.93Å; V337-F564 HydrophobicContact CG2-CD2 4.02Å; V337-F564 HydrophobicContact CG2-CE1 3.84Å; V337-F564 HydrophobicContact CG2-CE2 3.93Å; V337-F564 HydrophobicContact CG2-CG 4.03Å; V337-F564 HydrophobicContact CG2-CZ 3.85Å; C507-F564 HydrophobicContact CB-CZ 4.23Å; F547-F564 HydrophobicContact CB-CE1 3.89Å; F547-F564 HydrophobicContact CB-CZ 3.58Å; F547-F564 HydrophobicContact CD1-CE1 4.45Å; F547-F564 AromaticContact CD2-CE1 3.65Å; F547-F564 HydrophobicContact CD2-CE1 3.65Å; F547-F564 HydrophobicContact CD2-CZ 4.26Å; F547-F564 HydrophobicContact CE2-CE1 4.29Å; F547-F564 AromaticContact CG-CE1 3.73Å; F547-F564 HydrophobicContact CG-CE1 3.73Å; F547-F564 AromaticContact CG-CZ 3.94Å; F547-F564 HydrophobicContact CG-CZ 3.94Å; T549-F564 HydrophobicContact CG2-CE2 3.7Å; T549-F564 HydrophobicContact CG2-CZ 4.15Å; G560-F564 VanDerWaalsContact O-CD2 3.22Å; G560-F564 WeakPolarHBondContact O-CD2 3.44Å; G560-F564 PolarHBondContact O-N 2.68Å; F564-S566 VanDerWaalsContact C-N 3.33Å; F564-L567 HydrophobicContact CD1-CD2 4.25Å; F564-L567 PolarHBondContact O-N 2.89Å; F564-V568 WeakPolarHBondContact O-CB 3.43Å; F564-V568 VanDerWaalsContact O-CG2 3.29Å; F564-V568 WeakPolarHBondContact O-CG2 2.87Å; F564-V568 PolarHBondContact O-N 3.44Å
565	E	96.6	Very high	95	Very high	15 Å²	15	15.7 Å²	15.7	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-61.4	-46.5	172.4	-172.4	177.9	157.9	0	0	110.5	P54 L561 K569	P54-E565 HydrophobicContact CB-CB 4.04Å; P54-E565 VanDerWaalsContact CB-CD 3.48Å; P54-E565 HydrophobicContact CB-CG 3.77Å; P54-E565 HydrophobicContact CG-CB 4.29Å; P54-E565 HydrophobicContact CG-CG 4.22Å; P54-E565 WeakPolarHBondContact CG-OE2 3.24Å; L561-E565 WeakPolarHBondContact O-CB 3.47Å; L561-E565 PolarHBondContact O-N 2.7Å; L561-E565 VanDerWaalsContact O-N 3.08Å; E565-K569 HydrophobicContact CG-CD 4.4Å; E565-K569 WeakPolarHBondContact O-CG 3.4Å; E565-K569 PolarHBondContact O-N 3.07Å; E565-K569 VanDerWaalsContact O-N 3.17Å; E565-K569 WeakPolarHBondContact OE1-CE 3.41Å; E565-K569 IonicContact OE1-NZ 3.99Å; E565-K569 PolarHBondContact OE1-NZ 3.13Å
566	S	96.2	Very high	95.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-43.1	178.3	-69.5	0	0	0	0	113.1	F55 Y562 F564 F570	F55-S566 VanDerWaalsContact CE2-CB 3.41Å; Y562-S566 WeakPolarHBondContact O-CB 3.46Å; Y562-S566 PolarHBondContact O-N 2.82Å; Y562-S566 PolarHBondContact O-OG 3.15Å; F564-S566 VanDerWaalsContact C-N 3.33Å; S566-F570 WeakPolarHBondContact O-CB 3.45Å; S566-F570 PolarHBondContact O-N 2.78Å
567	L	97.1	Very high	95.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-49.2	177.7	178	68.3	0	0	0	111.9	I530 L535 F536 V539 T563 F564 K569 F570 V571	I530-L567 HydrophobicContact CG2-CB 4.11Å; I530-L567 HydrophobicContact CG2-CD1 4.46Å; L535-L567 HydrophobicContact CB-CD1 4.49Å; L535-L567 HydrophobicContact CD1-CD2 4.12Å; L535-L567 HydrophobicContact CD2-CB 4.42Å; L535-L567 HydrophobicContact CD2-CD1 4.28Å; L535-L567 HydrophobicContact CD2-CD2 3.83Å; L535-L567 HydrophobicContact CD2-CG 4.4Å; L535-L567 HydrophobicContact CG-CD1 3.93Å; L535-L567 HydrophobicContact CG-CD2 3.64Å; L535-L567 HydrophobicContact CG-CG 4.33Å; F536-L567 HydrophobicContact CB-CD1 4.39Å; V539-L567 HydrophobicContact CG2-CD2 3.95Å; T563-L567 VanDerWaalsContact O-CB 3.24Å; T563-L567 WeakPolarHBondContact O-CB 3.46Å; T563-L567 PolarHBondContact O-N 3.09Å; F564-L567 HydrophobicContact CD1-CD2 4.25Å; F564-L567 PolarHBondContact O-N 2.89Å; L567-K569 VanDerWaalsContact C-N 3.34Å; L567-K569 PolarHBondContact O-N 3.46Å; L567-F570 PolarHBondContact O-N 3.39Å; L567-V571 HydrophobicContact CD1-CG2 4.18Å; L567-V571 HydrophobicContact CG-CG2 4.41Å; L567-V571 VanDerWaalsContact O-CG2 3.29Å; L567-V571 WeakPolarHBondContact O-CG2 3.29Å; L567-V571 PolarHBondContact O-N 3.27Å
568	V	97.3	Very high	95.8	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.024	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-46.4	-178.4	164.7	0	0	0	0	110.6	L366 L369 V370 F564 V571 Q572 L579	L366-V568 HydrophobicContact CD2-CB 4.05Å; L366-V568 HydrophobicContact CD2-CG1 4.2Å; L366-V568 HydrophobicContact CD2-CG2 3.94Å; L369-V568 HydrophobicContact CB-CG1 3.63Å; L369-V568 HydrophobicContact CD1-CG1 3.84Å; L369-V568 HydrophobicContact CG-CG1 4.4Å; V370-V568 HydrophobicContact CG2-CB 4.49Å; V370-V568 HydrophobicContact CG2-CG1 3.73Å; V370-V568 HydrophobicContact CG2-CG2 3.86Å; F564-V568 WeakPolarHBondContact O-CB 3.43Å; F564-V568 VanDerWaalsContact O-CG2 3.29Å; F564-V568 WeakPolarHBondContact O-CG2 2.87Å; F564-V568 PolarHBondContact O-N 3.44Å; V568-V571 PolarHBondContact O-N 3.09Å; V568-Q572 WeakPolarHBondContact O-CG 3.49Å; V568-Q572 PolarHBondContact O-N 3.47Å; V568-L579 HydrophobicContact CB-CD1 4.33Å; V568-L579 HydrophobicContact CG1-CD1 4.13Å; V568-L579 HydrophobicContact CG2-CD1 3.99Å
569	K	94.9	Very high	96	Very high	27 Å²	27	19.6 Å²	19.6	12%	0.117	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-47	175.9	-72.2	178.6	176.8	173.2	0	111.7	F55 L369 E565 L567 V571 Q572 C573	F55-K569 WeakPolarHBondContact O-CD 3.26Å; F55-K569 PolarHBondContact O-NZ 3.44Å; L369-K569 HydrophobicContact CD1-CG 4.14Å; E565-K569 HydrophobicContact CG-CD 4.4Å; E565-K569 WeakPolarHBondContact O-CG 3.4Å; E565-K569 PolarHBondContact O-N 3.07Å; E565-K569 VanDerWaalsContact O-N 3.17Å; E565-K569 WeakPolarHBondContact OE1-CE 3.41Å; E565-K569 IonicContact OE1-NZ 3.99Å; E565-K569 PolarHBondContact OE1-NZ 3.13Å; L567-K569 VanDerWaalsContact C-N 3.34Å; L567-K569 PolarHBondContact O-N 3.46Å; K569-V571 PolarHBondContact O-N 2.88Å; K569-Q572 PolarHBondContact O-N 3.49Å; K569-C573 PolarHBondContact O-N 3.47Å; K569-C573 PolarHBondContact O-SG 2.79Å
570	F	94.4	Very high	96.1	Very high	15 Å²	15	22.6 Å²	22.6	7%	0.066	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-45	179.1	-172.7	-94.7	0	0	0	112.1	W309 K531 G532 F536 S566 L567 Q572 C573 W574	W309-F570 HydrophobicContact CD2-CZ 4.44Å; W309-F570 HydrophobicContact CE3-CZ 4.35Å; W309-F570 HydrophobicContact CH2-CE1 4.44Å; W309-F570 AromaticContact CH2-CZ 3.78Å; W309-F570 HydrophobicContact CH2-CZ 3.78Å; W309-F570 AromaticContact CZ2-CZ 3.87Å; W309-F570 HydrophobicContact CZ2-CZ 3.87Å; W309-F570 HydrophobicContact CZ3-CE1 4.27Å; W309-F570 HydrophobicContact CZ3-CZ 4.02Å; K531-F570 HydrophobicContact CB-CD2 4.36Å; K531-F570 HydrophobicContact CB-CE2 3.97Å; K531-F570 HydrophobicContact CB-CZ 4.24Å; K531-F570 HydrophobicContact CG-CD2 3.99Å; K531-F570 HydrophobicContact CG-CE2 4.01Å; G532-F570 VanDerWaalsContact N-CE1 3.29Å; F536-F570 AromaticContact CD2-CD1 3.67Å; F536-F570 HydrophobicContact CD2-CD1 3.67Å; F536-F570 AromaticContact CD2-CE1 3.75Å; F536-F570 HydrophobicContact CD2-CE1 3.75Å; F536-F570 HydrophobicContact CE2-CD1 4.08Å; F536-F570 AromaticContact CE2-CE1 3.98Å; F536-F570 HydrophobicContact CE2-CE1 3.98Å; F536-F570 HydrophobicContact CG-CD1 4.26Å; F536-F570 HydrophobicContact CG-CE1 4.05Å; F536-F570 HydrophobicContact CZ-CE1 4.45Å; S566-F570 WeakPolarHBondContact O-CB 3.45Å; S566-F570 PolarHBondContact O-N 2.78Å; L567-F570 PolarHBondContact O-N 3.39Å; F570-Q572 PolarHBondContact O-N 3.3Å; F570-C573 PolarHBondContact O-N 2.96Å; F570-W574 AromaticContact CD2-CD1 3.71Å; F570-W574 AromaticContact CD2-NE1 3.91Å; F570-W574 AromaticContact CE2-CD1 3.43Å; F570-W574 VanDerWaalsContact CE2-CD1 3.43Å; F570-W574 AromaticContact CE2-NE1 3.45Å; F570-W574 AromaticContact CZ-CD1 3.59Å; F570-W574 HydrophobicContact CZ-CG 4.34Å; F570-W574 AromaticContact CZ-NE1 3.92Å; F570-W574 PolarHBondContact O-N 3.27Å
571	V	95.7	Very high	96.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-45.9	176.7	171.4	0	0	0	0	111.2	F536 V539 L567 V568 K569 C573 W574 T575 L577 L579	F536-V571 HydrophobicContact CD2-CG2 3.84Å; F536-V571 HydrophobicContact CE2-CG2 4.13Å; V539-V571 HydrophobicContact CG1-CG1 4.48Å; V539-V571 HydrophobicContact CG1-CG2 4.22Å; L567-V571 HydrophobicContact CD1-CG2 4.18Å; L567-V571 HydrophobicContact CG-CG2 4.41Å; L567-V571 VanDerWaalsContact O-CG2 3.29Å; L567-V571 WeakPolarHBondContact O-CG2 3.29Å; L567-V571 PolarHBondContact O-N 3.27Å; V568-V571 PolarHBondContact O-N 3.09Å; K569-V571 PolarHBondContact O-N 2.88Å; V571-C573 VanDerWaalsContact C-N 3.33Å; V571-C573 PolarHBondContact O-N 3.3Å; V571-W574 PolarHBondContact O-N 3.41Å; V571-T575 WeakPolarHBondContact CG1-OG1 3.39Å; V571-T575 WeakPolarHBondContact O-CB 3.46Å; V571-T575 PolarHBondContact O-N 3.21Å; V571-T575 PolarHBondContact O-OG1 3.07Å; V571-L577 HydrophobicContact CG1-CB 4.15Å; V571-L577 HydrophobicContact CG1-CD1 4.15Å; V571-L579 HydrophobicContact CB-CD1 4.33Å; V571-L579 HydrophobicContact CG1-CD1 4.09Å; V571-L579 HydrophobicContact CG1-CD2 4.04Å; V571-L579 HydrophobicContact CG1-CG 4.26Å
572	Q	93.1	Very high	96.2	Very high	61 Å²	61	23.8 Å²	23.8	29%	0.285	11%	0.109	S	C	.	.	H	α-helix	trans	-68.2	-30	179.3	-72.9	-176.9	-21.4	0	0	113.8	K234 L369 V568 K569 F570	K234-Q572 PolarHBondContact NZ-O 3.09Å; L369-Q572 PolarHBondContact O-NE2 3.46Å; V568-Q572 WeakPolarHBondContact O-CG 3.49Å; V568-Q572 PolarHBondContact O-N 3.47Å; K569-Q572 PolarHBondContact O-N 3.49Å; F570-Q572 PolarHBondContact O-N 3.3Å
573	C	91.9	Very high	96.3	Very high	13 Å²	13	25 Å²	25	9%	0.088	12%	0.118	C	C	.	.	H	α-helix	trans	-70	-38.6	176.9	-69.3	0	0	0	0	112.3	C58 N236 K569 F570 V571	C58-C573 VanDerWaalsContact CA-SG 3.59Å; C58-C573 HydrophobicContact CB-CB 4.08Å; C58-C573 WeakPolarHBondContact CB-SG 3.23Å; C58-C573 WeakPolarHBondContact SG-CA 3.22Å; C58-C573 WeakPolarHBondContact SG-CB 3.24Å; C58-C573 CovalentContact SG-SG 2.04Å; C58-C573 PolarHBondContact SG-SG 2.83Å; N236-C573 PolarHBondContact ND2-O 3.28Å; K569-C573 PolarHBondContact O-N 3.47Å; K569-C573 PolarHBondContact O-SG 2.79Å; F570-C573 PolarHBondContact O-N 2.96Å; V571-C573 VanDerWaalsContact C-N 3.33Å; V571-C573 PolarHBondContact O-N 3.3Å
574	W	93.4	Very high	96.3	Very high	19 Å²	19	25.2 Å²	25.2	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-108.5	-7.5	-169	-68.8	106.2	0	0	0	114.7	I223 K234 N236 E239 W309 L310 F570 V571	I223-W574 HydrophobicContact CD1-CE3 3.79Å; I223-W574 HydrophobicContact CD1-CZ3 3.65Å; K234-W574 PolarHBondContact N-O 3.03Å; N236-W574 HydrophobicContact CB-CE3 4.32Å; N236-W574 HydrophobicContact CB-CZ3 4.25Å; E239-W574 HydrophobicContact CB-CH2 3.8Å; E239-W574 HydrophobicContact CB-CZ2 4.17Å; E239-W574 VanDerWaalsContact OE2-CZ2 3.22Å; E239-W574 WeakPolarHBondContact OE2-CZ2 3.3Å; W309-W574 HydrophobicContact CH2-CB 4.19Å; W309-W574 AromaticContact CH2-CD2 3.5Å; W309-W574 HydrophobicContact CH2-CD2 3.5Å; W309-W574 VanDerWaalsContact CH2-CD2 3.5Å; W309-W574 AromaticContact CH2-CE2 3.84Å; W309-W574 AromaticContact CH2-CE3 3.76Å; W309-W574 HydrophobicContact CH2-CE3 3.76Å; W309-W574 AromaticContact CH2-CG 3.67Å; W309-W574 HydrophobicContact CH2-CG 3.67Å; W309-W574 HydrophobicContact CH2-CZ2 4.41Å; W309-W574 HydrophobicContact CH2-CZ3 4.32Å; W309-W574 HydrophobicContact CZ2-CD2 4.31Å; W309-W574 HydrophobicContact CZ2-CZ2 4.46Å; W309-W574 HydrophobicContact CZ3-CB 4.27Å; W309-W574 HydrophobicContact CZ3-CD2 4.4Å; W309-W574 HydrophobicContact CZ3-CG 4.23Å; L310-W574 HydrophobicContact CD2-CE3 4.24Å; L310-W574 HydrophobicContact CD2-CZ3 4.44Å; F570-W574 AromaticContact CD2-CD1 3.71Å; F570-W574 AromaticContact CD2-NE1 3.91Å; F570-W574 AromaticContact CE2-CD1 3.43Å; F570-W574 VanDerWaalsContact CE2-CD1 3.43Å; F570-W574 AromaticContact CE2-NE1 3.45Å; F570-W574 AromaticContact CZ-CD1 3.59Å; F570-W574 HydrophobicContact CZ-CG 4.34Å; F570-W574 AromaticContact CZ-NE1 3.92Å; F570-W574 PolarHBondContact O-N 3.27Å; V571-W574 PolarHBondContact O-N 3.41Å
575	T	96.3	Very high	96.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-135.3	160.3	-177	78.9	0	0	0	0	113.1	I232 L313 F536 V571 L577	I232-T575 HydrophobicContact CG2-CG2 4.3Å; I232-T575 CarbonylContact O-C 3.42Å; I232-T575 WeakPolarHBondContact O-CA 3.49Å; I232-T575 WeakPolarHBondContact O-CB 3.39Å; L313-T575 HydrophobicContact CD1-CG2 4.13Å; L313-T575 HydrophobicContact CD2-CG2 4.29Å; F536-T575 HydrophobicContact CE2-CG2 3.93Å; F536-T575 HydrophobicContact CZ-CG2 3.95Å; V571-T575 WeakPolarHBondContact CG1-OG1 3.39Å; V571-T575 WeakPolarHBondContact O-CB 3.46Å; V571-T575 PolarHBondContact O-N 3.21Å; V571-T575 PolarHBondContact O-OG1 3.07Å; T575-L577 VanDerWaalsContact C-N 3.25Å; T575-L577 HydrophobicContact CG2-CD1 4.32Å; T575-L577 HydrophobicContact CG2-CG 4.47Å; T575-L577 WeakPolarHBondContact OG1-CB 3.22Å; T575-L577 WeakPolarHBondContact OG1-CG 3.39Å; T575-L577 PolarHBondContact OG1-N 3.03Å
576	N	96.8	Very high	96.4	Very high	66 Å²	66	30.7 Å²	30.7	35%	0.353	15%	0.146	S	C	.	.			trans	-89.8	14.4	169	-59.9	-42.5	0	0	0	111.9	Y231 I232 T233 L331	Y231-N576 PolarHBondContact O-ND2 2.9Å; I232-N576 PolarHBondContact O-N 3.4Å; T233-N576 PolarHBondContact O-ND2 3.02Å; L331-N576 HydrophobicContact CD1-CB 4.4Å; L331-N576 HydrophobicContact CD2-CB 4.39Å
577	L	97.8	Very high	96.5	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.058	15%	0.146	C	C	.	.			trans	-67.1	137.8	-179.5	-63.1	177.6	0	0	0	110.7	I232 L331 R333 L540 V571 T575	I232-L577 HydrophobicContact CG2-CD1 4.34Å; I232-L577 HydrophobicContact CG2-CD2 3.82Å; I232-L577 HydrophobicContact CG2-CG 3.93Å; L331-L577 HydrophobicContact CD2-CD2 4.33Å; L331-L577 CarbonylContact O-C 3.37Å; L331-L577 WeakPolarHBondContact O-CA 3.28Å; L331-L577 WeakPolarHBondContact O-CD2 3.25Å; R333-L577 HydrophobicContact CG-CB 4.2Å; R333-L577 HydrophobicContact CG-CD1 4.05Å; R333-L577 HydrophobicContact CG-CD2 4.19Å; R333-L577 HydrophobicContact CG-CG 4.37Å; L540-L577 HydrophobicContact CD1-CD1 4.32Å; V571-L577 HydrophobicContact CG1-CB 4.15Å; V571-L577 HydrophobicContact CG1-CD1 4.15Å; T575-L577 VanDerWaalsContact C-N 3.25Å; T575-L577 HydrophobicContact CG2-CD1 4.32Å; T575-L577 HydrophobicContact CG2-CG 4.47Å; T575-L577 WeakPolarHBondContact OG1-CB 3.22Å; T575-L577 WeakPolarHBondContact OG1-CG 3.39Å; T575-L577 PolarHBondContact OG1-N 3.03Å
578	R	97.9	Very high	96.6	Very high	144 Å²	144	30.6 Å²	30.6	54%	0.543	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	101.3	177.4	-59.9	-175.3	-60.4	-160.6	1.1	108.5	L331 D332 R333	L331-R578 PolarHBondContact O-N 3.21Å; D332-R578 VanDerWaalsContact CG-NH2 3.26Å; D332-R578 IonicContact OD1-CZ 2.73Å; D332-R578 IonicContact OD1-NE 2.95Å; D332-R578 PolarHBondContact OD1-NE 3.46Å; D332-R578 IonicContact OD1-NH2 3.67Å; D332-R578 PolarHBondContact OD1-NH2 3.22Å; D332-R578 IonicContact OD2-NH2 3.43Å; D332-R578 PolarHBondContact OD2-NH2 3.01Å; D332-R578 VanDerWaalsContact OD2-NH2 3.11Å; R333-R578 PolarHBondContact N-O 3.39Å
579	L	98.4	Very high	96.6	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.6	178.9	-56.2	-173.1	0	0	0	110.2	R333 I335 V370 P371 V539 V568 V571	R333-L579 HydrophobicContact CB-CD2 3.53Å; R333-L579 HydrophobicContact CG-CD2 4.09Å; R333-L579 CarbonylContact O-C 3.59Å; R333-L579 WeakPolarHBondContact O-CA 3.41Å; I335-L579 HydrophobicContact CD1-CD1 4.07Å; I335-L579 HydrophobicContact CD1-CD2 3.84Å; I335-L579 HydrophobicContact CD1-CG 4.41Å; V370-L579 HydrophobicContact CB-CB 4.47Å; V370-L579 HydrophobicContact CG1-CB 4.15Å; V370-L579 HydrophobicContact CG2-CB 3.83Å; V370-L579 HydrophobicContact CG2-CD1 4.13Å; P371-L579 WeakPolarHBondContact CD-O 3.5Å; V539-L579 HydrophobicContact CG1-CD2 3.95Å; V568-L579 HydrophobicContact CB-CD1 4.33Å; V568-L579 HydrophobicContact CG1-CD1 4.13Å; V568-L579 HydrophobicContact CG2-CD1 3.99Å; V571-L579 HydrophobicContact CB-CD1 4.33Å; V571-L579 HydrophobicContact CG1-CD1 4.09Å; V571-L579 HydrophobicContact CG1-CD2 4.04Å; V571-L579 HydrophobicContact CG1-CG 4.26Å
580	Q	97.8	Very high	96.8	Very high	62 Å²	62	36.6 Å²	36.6	29%	0.29	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.8	173.3	61.6	-170.7	-6	0	0	111.5	R333 H334 I335	R333-Q580 PolarHBondContact O-N 3.45Å; H334-Q580 CarbonylContact C-O 3.57Å; H334-Q580 WeakPolarHBondContact CA-O 3.19Å; H334-Q580 PolarHBondContact CD2-NE2 2.93Å; H334-Q580 PolarHBondContact CE1-NE2 3.01Å; H334-Q580 PolarHBondContact NE2-NE2 2.67Å; I335-Q580 PolarHBondContact N-O 3.29Å
581	T	98.3	Very high	97	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.17	C	C	.	.			trans	-118.1	138.1	173.8	-63	0	0	0	0	109.9	I335 L336 P371 W406	I335-T581 WeakPolarHBondContact O-CB 3.31Å; I335-T581 WeakPolarHBondContact O-CG2 3.22Å; I335-T581 PolarHBondContact O-OG1 3.25Å; L336-T581 HydrophobicContact CD1-CG2 4.34Å; P371-T581 PolarHBondContact O-N 2.68Å; W406-T581 HydrophobicContact CH2-CG2 3.91Å; W406-T581 HydrophobicContact CZ3-CG2 3.79Å
582	L	97.8	Very high	97.1	Very high	34 Å²	34	36 Å²	36	18%	0.178	17%	0.17	C	C	.	.			trans	-121.3	148.4	171.7	-69.3	175.2	0	0	0	109.7	H334 Q586 L587 K590	H334-L582 WeakPolarHBondContact CD2-CD1 3.47Å; L582-Q586 HydrophobicContact CB-CB 4.39Å; L582-L587 HydrophobicContact CB-CB 4.19Å; L582-L587 HydrophobicContact CB-CD1 4.3Å; L582-L587 HydrophobicContact CD1-CD1 4.47Å; L582-K590 HydrophobicContact CD1-CB 4.37Å
583	P	97.2	Very high	97.3	Very high	36 Å²	36	39 Å²	39	23%	0.234	18%	0.184	C	C	.	.			trans	-54.3	143.7	169.1	-24.1	33.1	0	0	0	111.2	W406 V585 Q586 L587	W406-P583 HydrophobicContact CH2-CB 4.12Å; W406-P583 HydrophobicContact CH2-CG 3.79Å; W406-P583 HydrophobicContact CZ2-CB 4.27Å; W406-P583 HydrophobicContact CZ2-CG 3.77Å; W406-P583 HydrophobicContact CZ3-CB 4.48Å; P583-V585 PolarHBondContact O-N 3.47Å; P583-Q586 PolarHBondContact O-N 3.36Å; P583-L587 PolarHBondContact O-N 3.4Å
584	P	96.6	Very high	97.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-52.2	-37.6	-172.3	-28.9	33.1	0	0	0	114.9	L336 Y448 L587 A588	L336-P584 HydrophobicContact CD2-CB 4.49Å; L336-P584 HydrophobicContact CD2-CG 3.95Å; Y448-P584 HydrophobicContact CD1-CB 4Å; Y448-P584 HydrophobicContact CD1-CG 3.79Å; Y448-P584 HydrophobicContact CD2-CB 3.63Å; Y448-P584 HydrophobicContact CD2-CG 4.34Å; Y448-P584 HydrophobicContact CE1-CG 4.31Å; Y448-P584 HydrophobicContact CE2-CB 4.19Å; Y448-P584 HydrophobicContact CG-CB 3.51Å; Y448-P584 HydrophobicContact CG-CG 3.79Å; P584-L587 PolarHBondContact O-N 3.2Å; P584-A588 PolarHBondContact O-N 2.94Å
585	V	97.8	Very high	97.6	Very high	25 Å²	25	41.4 Å²	41.4	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-46	177.4	-180	0	0	0	0	112	M446 V476 P583 L587 A588 E589	M446-V585 WeakPolarHBondContact O-CG2 3.48Å; V476-V585 HydrophobicContact CG2-CB 4.41Å; V476-V585 HydrophobicContact CG2-CG2 4.16Å; P583-V585 PolarHBondContact O-N 3.47Å; V585-L587 VanDerWaalsContact C-N 3.35Å; V585-A588 PolarHBondContact O-N 2.95Å; V585-E589 PolarHBondContact O-N 3.49Å
586	Q	98.3	Very high	97.6	Very high	109 Å²	109	44.6 Å²	44.6	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-69.5	-37.1	177.8	-61.6	179	18.1	0	0	111.1	L582 P583 A588 E589 K590	L582-Q586 HydrophobicContact CB-CB 4.39Å; P583-Q586 PolarHBondContact O-N 3.36Å; Q586-A588 VanDerWaalsContact C-N 3.26Å; Q586-A588 PolarHBondContact O-N 3.04Å; Q586-E589 PolarHBondContact O-N 3.4Å; Q586-K590 PolarHBondContact O-N 2.91Å
587	L	98.3	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-38.9	174.7	-169.9	63.7	0	0	0	111.1	H334 L336 L502 I544 I546 L582 P583 P584 V585 K590 Y591	H334-L587 HydrophobicContact CB-CD1 3.47Å; H334-L587 VanDerWaalsContact CB-CD1 3.47Å; L336-L587 HydrophobicContact CB-CD2 4.17Å; L336-L587 HydrophobicContact CD2-CD2 4.25Å; L502-L587 HydrophobicContact CD1-CG 4.43Å; I544-L587 HydrophobicContact CD1-CD1 4.08Å; I544-L587 HydrophobicContact CG1-CD1 4.07Å; I544-L587 HydrophobicContact CG2-CD1 3.75Å; I544-L587 HydrophobicContact CG2-CD2 4Å; I544-L587 HydrophobicContact CG2-CG 3.89Å; I546-L587 HydrophobicContact CD1-CD2 4.12Å; I546-L587 HydrophobicContact CG1-CD2 3.93Å; L582-L587 HydrophobicContact CB-CB 4.19Å; L582-L587 HydrophobicContact CB-CD1 4.3Å; L582-L587 HydrophobicContact CD1-CD1 4.47Å; P583-L587 PolarHBondContact O-N 3.4Å; P584-L587 PolarHBondContact O-N 3.2Å; V585-L587 VanDerWaalsContact C-N 3.35Å; L587-K590 PolarHBondContact O-N 3.36Å; L587-Y591 WeakPolarHBondContact O-CB 3.43Å; L587-Y591 PolarHBondContact O-N 3.19Å
588	A	98.4	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-41.5	175.8	0	0	0	0	0	113.1	V476 K500 L502 P584 V585 Q586 K590 Y591 F592	V476-A588 HydrophobicContact CB-CB 4.37Å; V476-A588 HydrophobicContact CG1-CB 3.77Å; V476-A588 HydrophobicContact CG2-CB 3.58Å; K500-A588 HydrophobicContact CB-CB 4.02Å; K500-A588 HydrophobicContact CD-CB 3.92Å; L502-A588 HydrophobicContact CD1-CB 3.91Å; L502-A588 HydrophobicContact CD2-CB 3.95Å; L502-A588 HydrophobicContact CG-CB 4.2Å; P584-A588 PolarHBondContact O-N 2.94Å; V585-A588 PolarHBondContact O-N 2.95Å; Q586-A588 VanDerWaalsContact C-N 3.26Å; Q586-A588 PolarHBondContact O-N 3.04Å; A588-K590 VanDerWaalsContact C-N 3.3Å; A588-K590 PolarHBondContact O-N 2.83Å; A588-Y591 PolarHBondContact O-N 3.3Å; A588-F592 VanDerWaalsContact O-CD2 3.28Å; A588-F592 WeakPolarHBondContact O-CD2 3.24Å; A588-F592 PolarHBondContact O-N 2.99Å; A588-F592 VanDerWaalsContact O-N 3.17Å
589	E	98.3	Very high	97.1	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.379	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-46.4	172.4	-61.5	-53.2	152.1	0	0	110.9	K500 V585 Q586 Y591 F592 Q593	K500-E589 IonicContact NZ-OE1 3.2Å; K500-E589 PolarHBondContact NZ-OE1 3.5Å; K500-E589 IonicContact NZ-OE2 3.27Å; K500-E589 PolarHBondContact NZ-OE2 3.12Å; V585-E589 PolarHBondContact O-N 3.49Å; Q586-E589 PolarHBondContact O-N 3.4Å; E589-Y591 VanDerWaalsContact C-N 3.31Å; E589-Y591 PolarHBondContact O-N 2.92Å; E589-F592 PolarHBondContact O-N 3.49Å; E589-Q593 WeakPolarHBondContact O-CB 3.44Å; E589-Q593 WeakPolarHBondContact O-CG 3.24Å; E589-Q593 PolarHBondContact O-N 2.75Å
590	K	98.1	Very high	96.9	Very high	76 Å²	76	49.8 Å²	49.8	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-41.9	177.9	-167.7	71.1	178.3	-178.7	0	111.6	I544 L582 Q586 L587 A588 Q593 I594	I544-K590 HydrophobicContact CD1-CB 4.36Å; I544-K590 HydrophobicContact CD1-CG 4.32Å; L582-K590 HydrophobicContact CD1-CB 4.37Å; Q586-K590 PolarHBondContact O-N 2.91Å; L587-K590 PolarHBondContact O-N 3.36Å; A588-K590 VanDerWaalsContact C-N 3.3Å; A588-K590 PolarHBondContact O-N 2.83Å; K590-Q593 WeakPolarHBondContact O-CB 3.43Å; K590-Q593 PolarHBondContact O-N 2.78Å; K590-I594 HydrophobicContact CG-CD1 4.06Å; K590-I594 VanDerWaalsContact O-CG1 3.31Å; K590-I594 WeakPolarHBondContact O-CG1 3.46Å; K590-I594 PolarHBondContact O-N 3.46Å
591	Y	98.3	Very high	96.7	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-54.2	178	-171.5	-85.1	0	0	0	112.1	G493 L502 P503 I544 L587 A588 E589 Q593 I594 F595 E598	G493-Y591 PolarHBondContact N-OH 3.39Å; G493-Y591 VanDerWaalsContact N-OH 3.07Å; L502-Y591 HydrophobicContact CD2-CD1 4.06Å; L502-Y591 HydrophobicContact CD2-CD2 4.26Å; L502-Y591 HydrophobicContact CD2-CG 3.72Å; P503-Y591 VanDerWaalsContact CD-CE2 3.5Å; P503-Y591 HydrophobicContact CG-CD2 4.45Å; P503-Y591 HydrophobicContact CG-CE2 3.49Å; P503-Y591 VanDerWaalsContact CG-CE2 3.49Å; P503-Y591 WeakPolarHBondContact CG-OH 3.46Å; I544-Y591 HydrophobicContact CB-CD2 4.26Å; I544-Y591 VanDerWaalsContact CD1-CA 3.49Å; I544-Y591 HydrophobicContact CD1-CD2 3.86Å; I544-Y591 HydrophobicContact CD1-CG 4.29Å; I544-Y591 HydrophobicContact CG2-CD2 4.35Å; L587-Y591 WeakPolarHBondContact O-CB 3.43Å; L587-Y591 PolarHBondContact O-N 3.19Å; A588-Y591 PolarHBondContact O-N 3.3Å; E589-Y591 VanDerWaalsContact C-N 3.31Å; E589-Y591 PolarHBondContact O-N 2.92Å; Y591-Q593 PolarHBondContact O-N 3.12Å; Y591-I594 PolarHBondContact O-N 3.11Å; Y591-I594 VanDerWaalsContact O-N 3.09Å; Y591-F595 HydrophobicContact CD1-CD2 4.31Å; Y591-F595 HydrophobicContact CD2-CD2 4.12Å; Y591-F595 HydrophobicContact CD2-CE2 4.42Å; Y591-F595 HydrophobicContact CE1-CB 4.25Å; Y591-F595 AromaticContact CE1-CD2 3.95Å; Y591-F595 HydrophobicContact CE1-CD2 3.95Å; Y591-F595 AromaticContact CE2-CD2 3.77Å; Y591-F595 HydrophobicContact CE2-CD2 3.77Å; Y591-F595 HydrophobicContact CE2-CE2 4Å; Y591-F595 HydrophobicContact CG-CD2 4.36Å; Y591-F595 AromaticContact CZ-CD2 3.66Å; Y591-F595 PolarHBondContact O-N 2.91Å; Y591-E598 HydrophobicContact CE1-CB 4.4Å; Y591-E598 WeakPolarHBondContact CE1-OE2 3.41Å; Y591-E598 VanDerWaalsContact CZ-OE2 3.29Å; Y591-E598 PolarHBondContact OH-OE2 3.28Å
592	F	98.1	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-79.7	-1.8	-178.3	-66.3	-69.5	0	0	0	114.2	F494 I495 K500 L502 A588 E589 R599	F494-F592 WeakPolarHBondContact O-CZ 3.49Å; I495-F592 HydrophobicContact CD1-CD2 4.37Å; I495-F592 HydrophobicContact CD1-CE2 4.44Å; I495-F592 HydrophobicContact CD1-CG 4.42Å; I495-F592 HydrophobicContact CG1-CD2 4.47Å; I495-F592 HydrophobicContact CG1-CE1 4.07Å; I495-F592 HydrophobicContact CG1-CE2 4.06Å; I495-F592 HydrophobicContact CG1-CZ 3.82Å; K500-F592 HydrophobicContact CB-CD2 4.36Å; K500-F592 HydrophobicContact CB-CE2 3.72Å; K500-F592 HydrophobicContact CD-CD2 3.91Å; K500-F592 HydrophobicContact CD-CE2 4.14Å; K500-F592 HydrophobicContact CG-CD2 3.9Å; K500-F592 HydrophobicContact CG-CE2 3.65Å; L502-F592 HydrophobicContact CD2-CE2 4.05Å; A588-F592 VanDerWaalsContact O-CD2 3.28Å; A588-F592 WeakPolarHBondContact O-CD2 3.24Å; A588-F592 PolarHBondContact O-N 2.99Å; A588-F592 VanDerWaalsContact O-N 3.17Å; E589-F592 PolarHBondContact O-N 3.49Å; F592-R599 HydrophobicContact CB-CG 4.17Å; F592-R599 HydrophobicContact CD1-CB 4.35Å; F592-R599 HydrophobicContact CD1-CG 3.55Å; F592-R599 HydrophobicContact CE1-CG 4.27Å; F592-R599 HydrophobicContact CG-CG 4.1Å; F592-R599 PolarHBondContact O-NH2 3.39Å; F592-R599 VanDerWaalsContact O-NH2 3.17Å
593	Q	97.2	Very high	96.5	Very high	123 Å²	123	47.5 Å²	47.5	58%	0.575	23%	0.233	S	C	*	.	H	α-helix	trans	-82.4	-39.8	161.9	-75.1	168	9	0	0	111.1	E589 K590 Y591	E589-Q593 WeakPolarHBondContact O-CB 3.44Å; E589-Q593 WeakPolarHBondContact O-CG 3.24Å; E589-Q593 PolarHBondContact O-N 2.75Å; K590-Q593 WeakPolarHBondContact O-CB 3.43Å; K590-Q593 PolarHBondContact O-N 2.78Å; Y591-Q593 PolarHBondContact O-N 3.12Å
594	I	95.8	Very high	96.4	Very high	65 Å²	65	47.4 Å²	47.4	33%	0.333	23%	0.229	S	C	.	.	H	α-helix	trans	-73.7	-40.9	177.5	-63.4	167.7	0	0	0	110.6	P543 I544 K590 Y591 P596	P543-I594 HydrophobicContact CB-CD1 4.29Å; I544-I594 HydrophobicContact CD1-CD1 4.1Å; I544-I594 HydrophobicContact CG1-CD1 4.49Å; K590-I594 HydrophobicContact CG-CD1 4.06Å; K590-I594 VanDerWaalsContact O-CG1 3.31Å; K590-I594 WeakPolarHBondContact O-CG1 3.46Å; K590-I594 PolarHBondContact O-N 3.46Å; Y591-I594 PolarHBondContact O-N 3.11Å; Y591-I594 VanDerWaalsContact O-N 3.09Å; I594-P596 VanDerWaalsContact C-CD 3.49Å; I594-P596 WeakPolarHBondContact O-CD 3.19Å
595	F	95.8	Very high	96.4	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.079	23%	0.233	C	C	.	.			trans	-122.5	70.6	-176.2	-53	-65.2	0	0	0	111.4	R131 P543 Y591 E597 E598	R131-F595 HydrophobicContact CB-CE1 4.48Å; R131-F595 HydrophobicContact CG-CD1 4.28Å; R131-F595 HydrophobicContact CG-CE1 3.7Å; R131-F595 HydrophobicContact CG-CZ 4.37Å; P543-F595 HydrophobicContact CG-CZ 4.17Å; Y591-F595 HydrophobicContact CD1-CD2 4.31Å; Y591-F595 HydrophobicContact CD2-CD2 4.12Å; Y591-F595 HydrophobicContact CD2-CE2 4.42Å; Y591-F595 HydrophobicContact CE1-CB 4.25Å; Y591-F595 AromaticContact CE1-CD2 3.95Å; Y591-F595 HydrophobicContact CE1-CD2 3.95Å; Y591-F595 AromaticContact CE2-CD2 3.77Å; Y591-F595 HydrophobicContact CE2-CD2 3.77Å; Y591-F595 HydrophobicContact CE2-CE2 4Å; Y591-F595 HydrophobicContact CG-CD2 4.36Å; Y591-F595 AromaticContact CZ-CD2 3.66Å; Y591-F595 PolarHBondContact O-N 2.91Å; F595-E597 VanDerWaalsContact C-N 3.28Å; F595-E597 PolarHBondContact O-N 3.49Å; F595-E598 HydrophobicContact CB-CB 4.11Å; F595-E598 HydrophobicContact CB-CG 3.86Å; F595-E598 PolarHBondContact O-N 2.86Å
596	P	96.1	Very high	96.1	Very high	70 Å²	70	47 Å²	47	46%	0.455	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-64	-29.8	-177	26.3	-35.2	0	0	0	113.9	I594 E598 R599	I594-P596 VanDerWaalsContact C-CD 3.49Å; I594-P596 WeakPolarHBondContact O-CD 3.19Å; P596-E598 VanDerWaalsContact C-N 3.27Å; P596-E598 PolarHBondContact O-N 3.17Å; P596-R599 WeakPolarHBondContact O-CD 3.49Å; P596-R599 VanDerWaalsContact O-CG 3.24Å; P596-R599 WeakPolarHBondContact O-CG 3.48Å; P596-R599 PolarHBondContact O-N 3.08Å
597	E	92.6	Very high	95.8	Very high	119 Å²	119	43.2 Å²	43.2	56%	0.556	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-68.9	-24.7	177.8	68.7	-73.1	171.6	0	0	113.2	F595 R599	F595-E597 VanDerWaalsContact C-N 3.28Å; F595-E597 PolarHBondContact O-N 3.49Å; E597-R599 PolarHBondContact O-N 2.99Å
598	E	95.1	Very high	95.5	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.065	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-80.1	0.8	179.9	-62.8	-169.9	-165.5	0	0	112.9	R131 R492 G493 F494 Y591 F595 P596 N600	R131-E598 IonicContact CZ-OE1 3.6Å; R131-E598 IonicContact NE-OE1 2.76Å; R131-E598 PolarHBondContact NE-OE1 3.05Å; R131-E598 IonicContact NH2-OE1 3.55Å; R492-E598 WeakPolarHBondContact CA-OE2 3.13Å; R492-E598 WeakPolarHBondContact CB-OE2 3.5Å; R492-E598 WeakPolarHBondContact CD-OE1 3.32Å; R492-E598 WeakPolarHBondContact CD-OE2 3.5Å; R492-E598 IonicContact NE-OE1 3.11Å; G493-E598 CarbonylContact C-O 3.57Å; G493-E598 PolarHBondContact N-OE2 3.44Å; F494-E598 WeakPolarHBondContact CA-O 3.43Å; Y591-E598 HydrophobicContact CE1-CB 4.4Å; Y591-E598 WeakPolarHBondContact CE1-OE2 3.41Å; Y591-E598 VanDerWaalsContact CZ-OE2 3.29Å; Y591-E598 PolarHBondContact OH-OE2 3.28Å; F595-E598 HydrophobicContact CB-CB 4.11Å; F595-E598 HydrophobicContact CB-CG 3.86Å; F595-E598 PolarHBondContact O-N 2.86Å; P596-E598 VanDerWaalsContact C-N 3.27Å; P596-E598 PolarHBondContact O-N 3.17Å; E598-N600 VanDerWaalsContact C-N 3.29Å; E598-N600 PolarHBondContact O-N 3.5Å
599	R	95.4	Very high	95.2	Very high	116 Å²	116	49.2 Å²	49.2	44%	0.438	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.1	-39.2	174.9	-69.7	175.7	-176.9	-146.1	-0.6	112.4	I495 F592 P596 E597	I495-R599 HydrophobicContact CD1-CB 4.13Å; I495-R599 HydrophobicContact CD1-CG 3.97Å; I495-R599 HydrophobicContact CG1-CB 4.47Å; I495-R599 PolarHBondContact N-O 3.01Å; F592-R599 HydrophobicContact CB-CG 4.17Å; F592-R599 HydrophobicContact CD1-CB 4.35Å; F592-R599 HydrophobicContact CD1-CG 3.55Å; F592-R599 HydrophobicContact CE1-CG 4.27Å; F592-R599 HydrophobicContact CG-CG 4.1Å; F592-R599 PolarHBondContact O-NH2 3.39Å; F592-R599 VanDerWaalsContact O-NH2 3.17Å; P596-R599 WeakPolarHBondContact O-CD 3.49Å; P596-R599 VanDerWaalsContact O-CG 3.24Å; P596-R599 WeakPolarHBondContact O-CG 3.48Å; P596-R599 PolarHBondContact O-N 3.08Å; E597-R599 PolarHBondContact O-N 2.99Å
600	N	93	Very high	95	Very high	91 Å²	91	53.2 Å²	53.2	49%	0.487	26%	0.256	S	S	.	.	S	Bend	trans	-88.2	125.6	-177.1	-60.8	-49	0	0	0	109.2	E598	E598-N600 VanDerWaalsContact C-N 3.29Å; E598-N600 PolarHBondContact O-N 3.5Å
601	P	94.6	Very high	94.8	Very high	5 Å²	5	53 Å²	53	3%	0.032	25%	0.253	C	S	.	.			trans	-65.7	164.5	178.5	25	-30.4	0	0	0	111.7	Y482 F494 W603 Y672	Y482-P601 WeakPolarHBondContact OH-CA 3.39Å; F494-P601 HydrophobicContact CB-CB 3.97Å; F494-P601 HydrophobicContact CD2-CB 4.07Å; F494-P601 HydrophobicContact CG-CB 4.24Å; P601-W603 HydrophobicContact CB-CD2 3.88Å; P601-W603 HydrophobicContact CB-CE3 3.75Å; P601-W603 HydrophobicContact CB-CH2 3.43Å; P601-W603 VanDerWaalsContact CB-CH2 3.43Å; P601-W603 HydrophobicContact CB-CZ2 3.56Å; P601-W603 HydrophobicContact CB-CZ3 3.52Å; P601-W603 HydrophobicContact CG-CD2 4.16Å; P601-W603 VanDerWaalsContact CG-CE2 3.48Å; P601-W603 HydrophobicContact CG-CE3 4.39Å; P601-W603 HydrophobicContact CG-CH2 3.45Å; P601-W603 VanDerWaalsContact CG-CH2 3.45Å; P601-W603 HydrophobicContact CG-CZ2 3.12Å; P601-W603 HydrophobicContact CG-CZ3 4.07Å; P601-Y672 VanDerWaalsContact O-CE1 3.27Å; P601-Y672 WeakPolarHBondContact O-CE1 3.24Å
602	L	95.5	Very high	94.6	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.225	25%	0.253	C	S	.	.			trans	-129.9	90.6	165.5	-176.7	68.4	0	0	0	107.1	Y482 Q604 K709 R710 A713	Y482-L602 PolarHBondContact OH-N 3.21Å; L602-Q604 PolarHBondContact O-N 2.6Å; L602-Q604 VanDerWaalsContact O-N 3.11Å; L602-Q604 PolarHBondContact O-NE2 2.75Å; L602-Q604 VanDerWaalsContact O-NE2 3.14Å; L602-K709 HydrophobicContact CD1-CG 4.2Å; L602-R710 HydrophobicContact CD1-CG 4.14Å; L602-A713 HydrophobicContact CD1-CB 3.73Å; L602-A713 HydrophobicContact CD2-CB 4.21Å; L602-A713 HydrophobicContact CG-CB 3.73Å
603	W	96.4	Very high	94.4	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	28%	0.278	C	S	.	.			trans	-59.6	110.7	-177.7	-54.5	134.7	0	0	0	111.1	Y458 V460 F494 H496 P601 F666 Y672 I676 A713 L714	Y458-W603 HydrophobicContact CD2-CZ3 4.46Å; Y458-W603 AromaticContact CE2-CE3 3.99Å; Y458-W603 HydrophobicContact CE2-CE3 3.99Å; Y458-W603 HydrophobicContact CE2-CZ3 4.19Å; V460-W603 HydrophobicContact CG2-CH2 3.99Å; V460-W603 HydrophobicContact CG2-CZ3 3.86Å; F494-W603 HydrophobicContact CD2-CH2 4.01Å; F494-W603 HydrophobicContact CD2-CZ3 4.13Å; F494-W603 AromaticContact CE2-CH2 3.9Å; F494-W603 HydrophobicContact CE2-CH2 3.9Å; F494-W603 AromaticContact CE2-CZ3 3.89Å; F494-W603 HydrophobicContact CE2-CZ3 3.89Å; F494-W603 HydrophobicContact CZ-CZ3 4.48Å; H496-W603 HydrophobicContact CB-CH2 4.16Å; H496-W603 AromaticContact ND1-CH2 3.98Å; H496-W603 AromaticContact ND1-CZ2 3.96Å; P601-W603 HydrophobicContact CB-CD2 3.88Å; P601-W603 HydrophobicContact CB-CE3 3.75Å; P601-W603 HydrophobicContact CB-CH2 3.43Å; P601-W603 VanDerWaalsContact CB-CH2 3.43Å; P601-W603 HydrophobicContact CB-CZ2 3.56Å; P601-W603 HydrophobicContact CB-CZ3 3.52Å; P601-W603 HydrophobicContact CG-CD2 4.16Å; P601-W603 VanDerWaalsContact CG-CE2 3.48Å; P601-W603 HydrophobicContact CG-CE3 4.39Å; P601-W603 HydrophobicContact CG-CH2 3.45Å; P601-W603 VanDerWaalsContact CG-CH2 3.45Å; P601-W603 HydrophobicContact CG-CZ2 3.12Å; P601-W603 HydrophobicContact CG-CZ3 4.07Å; W603-F666 AromaticContact CD1-CZ 3.8Å; W603-Y672 AromaticContact CD1-CE1 3.52Å; W603-Y672 AromaticContact CD1-CE2 3.47Å; W603-Y672 VanDerWaalsContact CD1-CE2 3.47Å; W603-Y672 AromaticContact CD1-CZ 3.2Å; W603-Y672 HydrophobicContact CG-CE1 4.23Å; W603-Y672 HydrophobicContact CG-CE2 4.37Å; W603-Y672 AromaticContact CG-CZ 3.85Å; W603-Y672 PolarHBondContact N-OH 3.19Å; W603-Y672 AromaticContact NE1-CD1 3.88Å; W603-Y672 AromaticContact NE1-CE1 3.65Å; W603-Y672 AromaticContact NE1-CZ 3.85Å; W603-Y672 PolarHBondContact NE1-O 3.5Å; W603-I676 HydrophobicContact CB-CD1 3.97Å; W603-I676 HydrophobicContact CB-CG1 3.8Å; W603-I676 HydrophobicContact CD2-CG1 4.4Å; W603-I676 HydrophobicContact CG-CD1 4.5Å; W603-I676 HydrophobicContact CG-CG1 3.96Å; W603-A713 CarbonylContact O-C 3.6Å; W603-A713 WeakPolarHBondContact O-CB 3.49Å; W603-L714 PolarHBondContact O-N 3.12Å
604	Q	95.6	Very high	94.2	Very high	34 Å²	34	57.3 Å²	57.3	16%	0.159	27%	0.274	C	S	.	.			trans	-79.2	160.8	171.4	-54.3	-57.7	-44	0	0	110	Y458 P483 L602 P606 A713	Y458-Q604 VanDerWaalsContact OH-CB 3.23Å; Y458-Q604 WeakPolarHBondContact OH-CB 3.27Å; Y458-Q604 WeakPolarHBondContact OH-CG 3.48Å; Y458-Q604 PolarHBondContact OH-N 3.37Å; P483-Q604 HydrophobicContact CB-CG 3.7Å; L602-Q604 PolarHBondContact O-N 2.6Å; L602-Q604 VanDerWaalsContact O-N 3.11Å; L602-Q604 PolarHBondContact O-NE2 2.75Å; L602-Q604 VanDerWaalsContact O-NE2 3.14Å; Q604-P606 WeakPolarHBondContact O-CD 3.32Å; Q604-A713 CarbonylContact C-O 3.58Å; Q604-A713 WeakPolarHBondContact CA-O 3.28Å
605	N	94.9	Very high	94.1	Very high	18 Å²	18	54.4 Å²	54.4	10%	0.096	26%	0.259	C	S	.	.			trans	-70.7	110.2	170.6	-166.2	-45.4	0	0	0	111.2	C607 H608 A713 L714	N605-C607 PolarHBondContact O-N 3.18Å; N605-C607 WeakPolarHBondContact OD1-CA 3.28Å; N605-C607 WeakPolarHBondContact OD1-CB 3.4Å; N605-C607 PolarHBondContact OD1-N 2.92Å; N605-H608 HydrophobicContact CB-CB 4.4Å; N605-H608 PolarHBondContact O-N 3.18Å; N605-A713 PolarHBondContact N-O 2.77Å; N605-L714 VanDerWaalsContact CB-O 3.23Å; N605-L714 WeakPolarHBondContact CB-O 3.34Å; N605-L714 VanDerWaalsContact CG-O 3.31Å; N605-L714 PolarHBondContact ND2-O 3.24Å
606	P	93.2	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.8	-179.4	-23.3	37	0	0	0	113.5	P459 Q604 D609 H612 K613 W616 I676	P459-P606 HydrophobicContact CB-CB 4.22Å; P459-P606 HydrophobicContact CB-CG 4.09Å; P459-P606 HydrophobicContact CG-CB 3.78Å; P459-P606 HydrophobicContact CG-CG 4.14Å; Q604-P606 WeakPolarHBondContact O-CD 3.32Å; P606-D609 VanDerWaalsContact O-O 3.1Å; P606-H612 HydrophobicContact CB-CB 4.38Å; P606-K613 PolarHBondContact O-N 2.83Å; P606-W616 HydrophobicContact CB-CD2 4.26Å; P606-W616 HydrophobicContact CB-CE3 4.47Å; P606-W616 HydrophobicContact CG-CZ2 4.28Å; P606-I676 HydrophobicContact CG-CD1 3.87Å
607	C	91.6	Very high	93.7	Very high	30 Å²	30	51 Å²	51	20%	0.203	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-82.2	-15.2	-176.7	-56.3	0	0	0	0	114.1	N605 D609 C622	N605-C607 PolarHBondContact O-N 3.18Å; N605-C607 WeakPolarHBondContact OD1-CA 3.28Å; N605-C607 WeakPolarHBondContact OD1-CB 3.4Å; N605-C607 PolarHBondContact OD1-N 2.92Å; C607-D609 VanDerWaalsContact C-N 3.33Å; C607-C622 HydrophobicContact CB-CB 3.77Å; C607-C622 WeakPolarHBondContact CB-SG 3.49Å; C607-C622 WeakPolarHBondContact SG-CA 3.46Å; C607-C622 WeakPolarHBondContact SG-CB 3.46Å; C607-C622 CovalentContact SG-SG 2Å; C607-C622 PolarHBondContact SG-SG 3.48Å
608	H	91.9	Very high	93.4	Very high	96 Å²	96	54 Å²	54	44%	0.444	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-87	-9.8	178.2	-73.5	-170.5	0	0	0	112.8	N605 P716	N605-H608 HydrophobicContact CB-CB 4.4Å; N605-H608 PolarHBondContact O-N 3.18Å; H608-P716 WeakPolarHBondContact CE1-CG 3.46Å
609	D	92.4	Very high	92.9	Very high	30 Å²	30	58 Å²	58	16%	0.16	27%	0.267	C	S	.	.			trans	-117.5	118.7	178	-171.2	-43.3	0	0	0	108.9	H484 P606 C607 R611 H612 K613	H484-D609 IonicContact CG-OD2 2.82Å; H484-D609 IonicContact ND1-OD2 2.69Å; H484-D609 PolarHBondContact ND1-OD2 2.95Å; P606-D609 VanDerWaalsContact O-O 3.1Å; C607-D609 VanDerWaalsContact C-N 3.33Å; D609-R611 VanDerWaalsContact C-N 3.26Å; D609-R611 PolarHBondContact O-N 2.9Å; D609-R611 WeakPolarHBondContact OD1-CB 3.46Å; D609-R611 PolarHBondContact OD1-N 2.85Å; D609-H612 HydrophobicContact CB-CB 3.93Å; D609-H612 WeakPolarHBondContact CB-ND1 3.25Å; D609-H612 PolarHBondContact O-N 3.34Å; D609-H612 PolarHBondContact OD1-N 2.81Å; D609-H612 IonicContact OD2-CE1 3.93Å; D609-H612 IonicContact OD2-ND1 3.23Å; D609-K613 WeakPolarHBondContact O-CB 3.25Å; D609-K613 PolarHBondContact O-N 3.48Å
610	K	93.3	Very high	92.6	Very high	165 Å²	165	54 Å²	54	72%	0.717	25%	0.253	S	S	*	.	H	α-helix	trans	-57.9	-42.4	-178.8	-178.9	-177.9	175	-174.6	0	111	K613 D614	K610-K613 PolarHBondContact O-N 2.85Å; K610-D614 PolarHBondContact O-N 3.4Å
611	R	93.6	Very high	92.4	Very high	73 Å²	73	51.5 Å²	51.5	28%	0.275	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-46.4	-177.9	172.9	59	177.7	164.8	5	110.4	H453 E481 L485 D609 K613 D614 I615	H453-R611 PolarHBondContact O-NH2 3.16Å; H453-R611 VanDerWaalsContact O-NH2 3.1Å; E481-R611 IonicContact OE1-CZ 3.03Å; E481-R611 IonicContact OE1-NE 3.4Å; E481-R611 PolarHBondContact OE1-NE 2.85Å; E481-R611 IonicContact OE1-NH2 3.86Å; E481-R611 PolarHBondContact OE1-NH2 3.45Å; E481-R611 VanDerWaalsContact OE1-NH2 3.12Å; E481-R611 WeakPolarHBondContact OE2-CG 3.44Å; L485-R611 HydrophobicContact CD2-CG 4.37Å; D609-R611 VanDerWaalsContact C-N 3.26Å; D609-R611 PolarHBondContact O-N 2.9Å; D609-R611 WeakPolarHBondContact OD1-CB 3.46Å; D609-R611 PolarHBondContact OD1-N 2.85Å; R611-K613 VanDerWaalsContact C-N 3.33Å; R611-K613 PolarHBondContact O-N 2.79Å; R611-D614 PolarHBondContact O-N 3.28Å; R611-I615 WeakPolarHBondContact O-CG1 3.26Å; R611-I615 PolarHBondContact O-N 2.91Å
612	H	95.3	Very high	92	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-43.1	177.1	-68.9	166	0	0	0	112.2	Y458 P459 E481 P483 H484 P606 D609 D614 I615 W616	Y458-H612 AromaticContact CD1-CE1 3.88Å; Y458-H612 AromaticContact CD1-NE2 3.81Å; Y458-H612 AromaticContact CE1-CE1 3.48Å; Y458-H612 VanDerWaalsContact CE1-CE1 3.48Å; Y458-H612 WeakPolarHBondContact CE1-CE1 3.5Å; Y458-H612 AromaticContact CE1-ND1 3.89Å; Y458-H612 AromaticContact CE1-NE2 3.9Å; P459-H612 HydrophobicContact CG-CB 3.59Å; E481-H612 PolarHBondContact O-CE1 2.82Å; E481-H612 PolarHBondContact O-NE2 3.24Å; E481-H612 IonicContact OE2-CD2 2.86Å; E481-H612 IonicContact OE2-NE2 3.62Å; P483-H612 PolarHBondContact O-CE1 3.21Å; H484-H612 AromaticContact ND1-CE1 3.73Å; P606-H612 HydrophobicContact CB-CB 4.38Å; D609-H612 HydrophobicContact CB-CB 3.93Å; D609-H612 WeakPolarHBondContact CB-ND1 3.25Å; D609-H612 PolarHBondContact O-N 3.34Å; D609-H612 PolarHBondContact OD1-N 2.81Å; D609-H612 IonicContact OD2-CE1 3.93Å; D609-H612 IonicContact OD2-ND1 3.23Å; H612-D614 VanDerWaalsContact C-N 3.31Å; H612-D614 PolarHBondContact O-N 3.44Å; H612-I615 CarbonylContact O-C 3.32Å; H612-I615 PolarHBondContact O-N 3.33Å; H612-W616 WeakPolarHBondContact O-CB 3.38Å; H612-W616 PolarHBondContact O-N 3.42Å; H612-W616 VanDerWaalsContact O-N 3.07Å
613	K	93.4	Very high	91.6	Very high	121 Å²	121	55.6 Å²	55.6	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-41.1	175.5	-170.5	178.9	-178.8	179.4	0	112.2	P606 D609 K610 R611 I615 W616	P606-K613 PolarHBondContact O-N 2.83Å; D609-K613 WeakPolarHBondContact O-CB 3.25Å; D609-K613 PolarHBondContact O-N 3.48Å; K610-K613 PolarHBondContact O-N 2.85Å; R611-K613 VanDerWaalsContact C-N 3.33Å; R611-K613 PolarHBondContact O-N 2.79Å; K613-I615 VanDerWaalsContact C-N 3.3Å; K613-I615 PolarHBondContact O-N 3.45Å; K613-W616 PolarHBondContact O-N 3.24Å
614	D	93.6	Very high	91.3	Very high	95 Å²	95	57.1 Å²	57.1	51%	0.508	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-28.9	-179.3	-68.9	-18.6	0	0	0	112.8	K610 R611 H612	K610-D614 PolarHBondContact O-N 3.4Å; R611-D614 PolarHBondContact O-N 3.28Å; H612-D614 VanDerWaalsContact C-N 3.31Å; H612-D614 PolarHBondContact O-N 3.44Å
615	I	94	Very high	91.1	Very high	3 Å²	3	56 Å²	56	2%	0.015	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.7	179	69.8	-178.2	0	0	0	113.7	H418 S455 E481 R611 H612 K613	H418-I615 WeakPolarHBondContact CB-O 3.37Å; S455-I615 PolarHBondContact OG-O 3.36Å; S455-I615 VanDerWaalsContact OG-O 3.13Å; E481-I615 HydrophobicContact CG-CD1 3.99Å; R611-I615 WeakPolarHBondContact O-CG1 3.26Å; R611-I615 PolarHBondContact O-N 2.91Å; H612-I615 CarbonylContact O-C 3.32Å; H612-I615 PolarHBondContact O-N 3.33Å; K613-I615 VanDerWaalsContact C-N 3.3Å; K613-I615 PolarHBondContact O-N 3.45Å
616	W	92.5	Very high	91.2	Very high	14 Å²	14	55.4 Å²	55.4	5%	0.053	26%	0.263	C	S	.	.	S	Bend	trans	-92.3	151.1	174.3	-156.3	38.6	0	0	0	110.3	H418 P606 H612 K613 K618 K620 M680	H418-W616 PolarHBondContact CD2-O 3.17Å; P606-W616 HydrophobicContact CB-CD2 4.26Å; P606-W616 HydrophobicContact CB-CE3 4.47Å; P606-W616 HydrophobicContact CG-CZ2 4.28Å; H612-W616 WeakPolarHBondContact O-CB 3.38Å; H612-W616 PolarHBondContact O-N 3.42Å; H612-W616 VanDerWaalsContact O-N 3.07Å; K613-W616 PolarHBondContact O-N 3.24Å; W616-K618 PolarHBondContact O-N 3.02Å; W616-K620 HydrophobicContact CD2-CB 3.72Å; W616-K620 HydrophobicContact CD2-CD 4.02Å; W616-K620 HydrophobicContact CE3-CB 3.82Å; W616-K620 HydrophobicContact CG-CB 4.5Å; W616-K620 HydrophobicContact CG-CD 4.25Å; W616-K620 HydrophobicContact CH2-CB 3.68Å; W616-K620 HydrophobicContact CZ2-CB 3.58Å; W616-K620 HydrophobicContact CZ2-CD 3.75Å; W616-K620 HydrophobicContact CZ2-CG 4.23Å; W616-K620 HydrophobicContact CZ3-CB 3.8Å; W616-M680 HydrophobicContact CH2-CE 3.68Å; W616-M680 HydrophobicContact CH2-SD 3.78Å; W616-M680 HydrophobicContact CZ2-CE 4Å; W616-M680 HydrophobicContact CZ2-SD 3.54Å; W616-M680 VanDerWaalsContact CZ2-SD 3.54Å
617	S	89.8	Confident	91.3	Very high	3 Å²	3	59 Å²	59	2%	0.021	28%	0.279	C	S	.	.			trans	-60.5	135.7	179.1	169.6	0	0	0	0	110.6	E619 K620	S617-E619 PolarHBondContact O-N 3.28Å; S617-E619 PolarHBondContact OG-N 3.42Å; S617-K620 WeakPolarHBondContact O-CB 3.48Å; S617-K620 PolarHBondContact O-N 2.83Å
618	K	87.1	Confident	91.6	Very high	183 Å²	183	57.7 Å²	57.7	80%	0.796	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.5	177.6	-67	-175	179.8	177.8	0	113.6	W616 K620	W616-K618 PolarHBondContact O-N 3.02Å; K618-K620 PolarHBondContact O-N 2.81Å
619	E	84.7	Confident	91.9	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.453	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.1	172.7	-67.7	175.2	151.3	0	0	112.3	H421 S617 F685	H421-E619 WeakPolarHBondContact CB-OE1 3.48Å; H421-E619 IonicContact CD2-OE1 2.56Å; H421-E619 IonicContact CE1-OE1 3.91Å; H421-E619 IonicContact CE1-OE2 3.99Å; H421-E619 IonicContact CG-OE1 3.99Å; H421-E619 IonicContact CG-OE2 2.78Å; H421-E619 WeakPolarHBondContact ND1-CG 3.27Å; H421-E619 IonicContact ND1-OE1 3.99Å; H421-E619 PolarHBondContact ND1-OE1 3.41Å; H421-E619 IonicContact ND1-OE2 3.2Å; H421-E619 PolarHBondContact ND1-OE2 2.98Å; S617-E619 PolarHBondContact O-N 3.28Å; S617-E619 PolarHBondContact OG-N 3.42Å; E619-F685 WeakPolarHBondContact O-CE1 3.2Å
620	K	88.8	Confident	92.2	Very high	31 Å²	31	51.7 Å²	51.7	14%	0.135	24%	0.241	C	C	.	.			trans	-100.3	137.7	179.3	-58.1	176.1	-174.4	179.9	0	109.2	V460 W616 S617 K618 D677 M680	V460-K620 PolarHBondContact O-NZ 2.83Å; V460-K620 VanDerWaalsContact O-NZ 3.17Å; W616-K620 HydrophobicContact CD2-CB 3.72Å; W616-K620 HydrophobicContact CD2-CD 4.02Å; W616-K620 HydrophobicContact CE3-CB 3.82Å; W616-K620 HydrophobicContact CG-CB 4.5Å; W616-K620 HydrophobicContact CG-CD 4.25Å; W616-K620 HydrophobicContact CH2-CB 3.68Å; W616-K620 HydrophobicContact CZ2-CB 3.58Å; W616-K620 HydrophobicContact CZ2-CD 3.75Å; W616-K620 HydrophobicContact CZ2-CG 4.23Å; W616-K620 HydrophobicContact CZ3-CB 3.8Å; S617-K620 WeakPolarHBondContact O-CB 3.48Å; S617-K620 PolarHBondContact O-N 2.83Å; K618-K620 PolarHBondContact O-N 2.81Å; K620-D677 WeakPolarHBondContact CE-OD1 3.37Å; K620-D677 WeakPolarHBondContact CE-OD2 3.46Å; K620-D677 IonicContact NZ-OD1 3.45Å; K620-D677 PolarHBondContact NZ-OD1 3.2Å; K620-D677 IonicContact NZ-OD2 3.91Å; K620-D677 PolarHBondContact NZ-OD2 3.43Å; K620-M680 HydrophobicContact CB-CE 4.11Å
621	T	87.5	Confident	92.4	Very high	40 Å²	40	43.8 Å²	43.8	25%	0.245	21%	0.207	C	C	.	.			trans	-132.3	145.7	177.1	179.6	0	0	0	0	111.1	D623 R624 M680 P686	T621-D623 HydrophobicContact CG2-CB 4.33Å; T621-D623 PolarHBondContact O-N 3.29Å; T621-D623 PolarHBondContact OG1-N 2.87Å; T621-D623 PolarHBondContact OG1-OD2 3.47Å; T621-R624 HydrophobicContact CG2-CB 3.98Å; T621-R624 WeakPolarHBondContact O-CB 3.17Å; T621-R624 PolarHBondContact O-N 3.33Å; T621-M680 VanDerWaalsContact O-CE 3.32Å; T621-M680 WeakPolarHBondContact O-CE 3.5Å; T621-P686 HydrophobicContact CG2-CG 3.82Å
622	C	86.8	Confident	92.6	Very high	33 Å²	33	40.3 Å²	40.3	22%	0.223	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.8	173.8	-51.8	0	0	0	0	112.2	C607 R624 L625	C607-C622 HydrophobicContact CB-CB 3.77Å; C607-C622 WeakPolarHBondContact CB-SG 3.49Å; C607-C622 WeakPolarHBondContact SG-CA 3.46Å; C607-C622 WeakPolarHBondContact SG-CB 3.46Å; C607-C622 CovalentContact SG-SG 2Å; C607-C622 PolarHBondContact SG-SG 3.48Å; C622-R624 PolarHBondContact O-N 2.94Å; C622-L625 PolarHBondContact O-N 3.17Å; C622-L625 VanDerWaalsContact O-N 3.15Å
623	D	87.6	Confident	92.8	Very high	100 Å²	100	40.3 Å²	40.3	54%	0.535	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-71.8	-9.3	-176.9	-61.8	-40.6	0	0	0	112.8	T621 P686	T621-D623 HydrophobicContact CG2-CB 4.33Å; T621-D623 PolarHBondContact O-N 3.29Å; T621-D623 PolarHBondContact OG1-N 2.87Å; T621-D623 PolarHBondContact OG1-OD2 3.47Å; D623-P686 HydrophobicContact CB-CB 4.13Å; D623-P686 HydrophobicContact CB-CG 3.55Å
624	R	89.8	Confident	92.9	Very high	33 Å²	33	36.1 Å²	36.1	13%	0.125	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-86.8	-9.9	174.7	-171.7	167.8	-174.9	-152.1	0.6	112.8	T621 C622 M680 F683	T621-R624 HydrophobicContact CG2-CB 3.98Å; T621-R624 WeakPolarHBondContact O-CB 3.17Å; T621-R624 PolarHBondContact O-N 3.33Å; C622-R624 PolarHBondContact O-N 2.94Å; R624-M680 HydrophobicContact CB-CE 3.91Å; R624-M680 HydrophobicContact CG-CB 4.5Å; R624-M680 HydrophobicContact CG-CE 4.2Å; R624-M680 PolarHBondContact NE-O 2.9Å; R624-M680 PolarHBondContact NH2-O 2.83Å; R624-F683 HydrophobicContact CG-CB 3.81Å; R624-F683 VanDerWaalsContact CZ-O 3.31Å; R624-F683 PolarHBondContact NE-O 3.16Å; R624-F683 PolarHBondContact NH2-O 3.49Å; R624-F683 WeakPolarHBondContact O-CB 3.29Å; R624-F683 WeakPolarHBondContact O-CG 3.36Å
625	L	92.7	Very high	93.1	Very high	11 Å²	11	34 Å²	34	6%	0.058	16%	0.162	C	C	.	.	S	Bend	trans	-81.7	143.9	174.8	-67.9	174.8	0	0	0	110.9	C622 Y679 M680 L714 L715	C622-L625 PolarHBondContact O-N 3.17Å; C622-L625 VanDerWaalsContact O-N 3.15Å; L625-Y679 HydrophobicContact CD2-CD1 4.18Å; L625-Y679 HydrophobicContact CD2-CE1 4.39Å; L625-M680 HydrophobicContact CD2-CG 3.98Å; L625-L714 HydrophobicContact CD1-CD1 4.42Å; L625-L715 HydrophobicContact CB-CD2 3.83Å; L625-L715 HydrophobicContact CD1-CD2 4.17Å; L625-L715 HydrophobicContact CD2-CD2 4.34Å; L625-L715 HydrophobicContact CG-CD2 4.34Å
626	P	95	Very high	93.2	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.032	16%	0.163	C	C	.	.			trans	-67.9	139.8	-178.7	26.4	-32.3	0	0	0	111.9	L629 Y679 F683 M694 L715	P626-L629 HydrophobicContact CG-CD2 4.23Å; P626-Y679 HydrophobicContact CG-CE1 3.97Å; P626-Y679 VanDerWaalsContact CG-OH 3.27Å; P626-Y679 WeakPolarHBondContact CG-OH 3.27Å; P626-F683 HydrophobicContact CB-CE1 3.77Å; P626-F683 HydrophobicContact CB-CZ 3.84Å; P626-F683 HydrophobicContact CG-CE1 3.99Å; P626-F683 HydrophobicContact CG-CE2 4.09Å; P626-F683 HydrophobicContact CG-CZ 3.52Å; P626-M694 CarbonylContact C-O 3.49Å; P626-M694 VanDerWaalsContact CA-O 3.26Å; P626-M694 WeakPolarHBondContact CA-O 3.39Å; P626-M694 WeakPolarHBondContact CB-O 3.35Å; P626-L715 HydrophobicContact CG-CD1 3.79Å; P626-L715 HydrophobicContact CG-CD2 4.49Å
627	K	95.2	Very high	93.4	Very high	77 Å²	77	34.9 Å²	34.9	34%	0.335	18%	0.175	S	C	.	.	S	Bend	trans	-84.5	-16.4	177.7	-65.4	-175.8	-176.1	159.7	0	112.6	D692 F693 M694 A718 K719	K627-D692 PolarHBondContact NZ-O 2.96Å; K627-F693 HydrophobicContact CB-CD1 4.15Å; K627-F693 HydrophobicContact CD-CD1 3.78Å; K627-F693 HydrophobicContact CD-CE1 4.05Å; K627-F693 HydrophobicContact CD-CG 4.15Å; K627-M694 PolarHBondContact N-O 3.03Å; K627-A718 CarbonylContact O-C 3.47Å; K627-A718 WeakPolarHBondContact O-CA 3.33Å; K627-K719 PolarHBondContact O-N 2.89Å
628	F	97.9	Very high	93.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.1	174.1	68.4	-85.6	0	0	0	112.9	I630 L645 I651 F693 F695 K719 L721 L817	F628-I630 HydrophobicContact CE2-CG1 4.43Å; F628-L645 HydrophobicContact CE2-CD1 3.88Å; F628-L645 HydrophobicContact CZ-CD1 4.18Å; F628-L645 HydrophobicContact CZ-CD2 4.45Å; F628-I651 HydrophobicContact CE1-CG2 4.15Å; F628-I651 HydrophobicContact CZ-CG2 3.92Å; F628-F693 HydrophobicContact CE1-CB 4.27Å; F628-F695 HydrophobicContact CD1-CB 3.79Å; F628-F695 HydrophobicContact CD2-CB 3.64Å; F628-F695 HydrophobicContact CD2-CG 4.26Å; F628-F695 HydrophobicContact CE1-CB 3.5Å; F628-F695 VanDerWaalsContact CE1-CB 3.5Å; F628-F695 HydrophobicContact CE1-CD1 4.17Å; F628-F695 HydrophobicContact CE1-CG 4.03Å; F628-F695 HydrophobicContact CE2-CB 3.32Å; F628-F695 HydrophobicContact CE2-CD1 4.14Å; F628-F695 AromaticContact CE2-CD2 3.75Å; F628-F695 HydrophobicContact CE2-CD2 3.75Å; F628-F695 AromaticContact CE2-CG 3.47Å; F628-F695 HydrophobicContact CE2-CG 3.47Å; F628-F695 VanDerWaalsContact CE2-CG 3.47Å; F628-F695 HydrophobicContact CG-CB 3.87Å; F628-F695 HydrophobicContact CZ-CB 3.26Å; F628-F695 AromaticContact CZ-CD1 3.56Å; F628-F695 HydrophobicContact CZ-CD1 3.56Å; F628-F695 HydrophobicContact CZ-CD2 4.05Å; F628-F695 HydrophobicContact CZ-CE1 4.41Å; F628-F695 AromaticContact CZ-CG 3.34Å; F628-F695 HydrophobicContact CZ-CG 3.34Å; F628-F695 WeakPolarHBondContact O-CA 3.32Å; F628-F695 WeakPolarHBondContact O-CB 3.4Å; F628-K719 CarbonylContact C-O 3.57Å; F628-K719 WeakPolarHBondContact CA-O 3.16Å; F628-K719 HydrophobicContact CB-CB 3.84Å; F628-K719 VanDerWaalsContact CB-O 3.25Å; F628-K719 WeakPolarHBondContact CB-O 3.48Å; F628-L721 HydrophobicContact CD2-CD1 3.88Å; F628-L721 HydrophobicContact CD2-CG 4.33Å; F628-L721 HydrophobicContact CE2-CD1 3.93Å; F628-L817 HydrophobicContact CB-CD2 3.91Å; F628-L817 HydrophobicContact CD1-CD1 4.06Å; F628-L817 HydrophobicContact CD1-CD2 3.75Å; F628-L817 HydrophobicContact CD2-CD1 4.5Å; F628-L817 HydrophobicContact CD2-CD2 4.17Å; F628-L817 HydrophobicContact CE1-CD1 3.67Å; F628-L817 HydrophobicContact CE1-CD2 4.25Å; F628-L817 HydrophobicContact CE2-CD1 4.16Å; F628-L817 HydrophobicContact CG-CD1 4.45Å; F628-L817 HydrophobicContact CG-CD2 3.69Å; F628-L817 HydrophobicContact CZ-CD1 3.72Å
629	L	98.8	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.7	-177.5	-57.7	177.7	0	0	0	110.3	P626 I631 F667 E696 A711 L715 K719 L721	P626-L629 HydrophobicContact CG-CD2 4.23Å; L629-I631 HydrophobicContact CB-CG2 3.94Å; L629-F667 HydrophobicContact CD1-CD2 4.44Å; L629-F667 HydrophobicContact CD1-CE2 4.12Å; L629-F667 HydrophobicContact CD2-CE2 4.38Å; L629-E696 HydrophobicContact CD2-CG 3.4Å; L629-E696 VanDerWaalsContact CD2-CG 3.4Å; L629-A711 HydrophobicContact CD1-CB 3.9Å; L629-L715 HydrophobicContact CD1-CD1 4.22Å; L629-L715 HydrophobicContact CD2-CD1 3.96Å; L629-L715 HydrophobicContact CG-CD1 4.36Å; L629-K719 PolarHBondContact N-O 3.42Å; L629-L721 PolarHBondContact O-N 3.46Å
630	I	98.7	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	103	166.1	-52.8	174.9	0	0	0	108	F628 T638 L641 L645 F695 E696 K697 S698 L721	F628-I630 HydrophobicContact CE2-CG1 4.43Å; I630-T638 HydrophobicContact CG2-CG2 4.15Å; I630-L641 HydrophobicContact CD1-CD2 4.07Å; I630-L641 HydrophobicContact CD1-CG 4.06Å; I630-L641 HydrophobicContact CG2-CD2 4.25Å; I630-L645 HydrophobicContact CD1-CD1 3.6Å; I630-F695 HydrophobicContact CD1-CD2 3.8Å; I630-F695 HydrophobicContact CD1-CE2 3.62Å; I630-F695 HydrophobicContact CG1-CD2 4.19Å; I630-F695 HydrophobicContact CG1-CE2 4.49Å; I630-E696 PolarHBondContact N-O 3.21Å; I630-K697 HydrophobicContact CB-CB 3.85Å; I630-K697 HydrophobicContact CB-CG 3.78Å; I630-K697 HydrophobicContact CD1-CB 4.16Å; I630-K697 HydrophobicContact CD1-CG 4.37Å; I630-K697 HydrophobicContact CG1-CB 4.42Å; I630-K697 HydrophobicContact CG2-CB 4.46Å; I630-K697 HydrophobicContact CG2-CG 3.85Å; I630-K697 WeakPolarHBondContact O-CA 3.4Å; I630-S698 PolarHBondContact O-N 2.56Å; I630-L721 WeakPolarHBondContact CA-O 3.35Å; I630-L721 HydrophobicContact CG1-CB 4.24Å; I630-L721 HydrophobicContact CG1-CD1 4.16Å
631	I	98.6	Very high	95.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-9.6	-165.2	61	163.7	0	0	0	114	L629 S698 A699 Y701 F702 V720 L721 A722 W785	L629-I631 HydrophobicContact CB-CG2 3.94Å; I631-S698 CarbonylContact C-O 3.59Å; I631-A699 CarbonylContact O-C 3.55Å; I631-A699 WeakPolarHBondContact O-CA 3.24Å; I631-Y701 HydrophobicContact CG2-CD2 4.3Å; I631-Y701 PolarHBondContact O-N 3.25Å; I631-F702 HydrophobicContact CD1-CD2 3.82Å; I631-F702 HydrophobicContact CG1-CB 4.48Å; I631-F702 HydrophobicContact CG1-CD2 4.2Å; I631-F702 VanDerWaalsContact O-CB 3.24Å; I631-F702 WeakPolarHBondContact O-CB 3.4Å; I631-F702 PolarHBondContact O-N 3.42Å; I631-V720 HydrophobicContact CB-CG1 4.46Å; I631-V720 HydrophobicContact CD1-CG1 3.52Å; I631-V720 HydrophobicContact CG1-CG1 3.84Å; I631-V720 HydrophobicContact CG2-CG1 3.78Å; I631-L721 WeakPolarHBondContact CG1-O 3.36Å; I631-L721 PolarHBondContact N-O 3.15Å; I631-A722 HydrophobicContact CD1-CB 4.27Å; I631-A722 HydrophobicContact CG1-CB 4.16Å; I631-W785 HydrophobicContact CB-CH2 4.29Å; I631-W785 HydrophobicContact CB-CZ2 3.99Å; I631-W785 HydrophobicContact CD1-CD2 3.67Å; I631-W785 VanDerWaalsContact CD1-CE2 3.47Å; I631-W785 HydrophobicContact CD1-CE3 4.28Å; I631-W785 HydrophobicContact CD1-CG 3.96Å; I631-W785 HydrophobicContact CD1-CZ2 3.98Å; I631-W785 HydrophobicContact CG2-CH2 3.47Å; I631-W785 VanDerWaalsContact CG2-CH2 3.47Å; I631-W785 HydrophobicContact CG2-CZ2 3.7Å; I631-W785 HydrophobicContact CG2-CZ3 3.92Å
632	G	97.7	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115	-148.6	-174.8	0	0	0	0	0	113	A722 V723	G632-A722 CarbonylContact O-C 3.09Å; G632-A722 WeakPolarHBondContact O-CA 3.23Å; G632-V723 PolarHBondContact O-N 3.47Å
633	P	97.9	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.			cis	-67.5	172.1	-7.7	19.6	-27.6	0	0	0	113.9	T636 F702 V723 L724 Y778	P633-T636 HydrophobicContact CB-CG2 4.48Å; P633-T636 HydrophobicContact CG-CG2 3.79Å; P633-T636 PolarHBondContact O-OG1 2.88Å; P633-F702 HydrophobicContact CB-CB 4.26Å; P633-F702 HydrophobicContact CB-CD1 3.6Å; P633-F702 HydrophobicContact CB-CE1 4.07Å; P633-F702 HydrophobicContact CB-CG 4.01Å; P633-F702 HydrophobicContact CG-CD1 3.82Å; P633-F702 HydrophobicContact CG-CE1 3.83Å; P633-F702 HydrophobicContact CG-CG 4.21Å; P633-F702 HydrophobicContact CG-CZ 4.27Å; P633-V723 VanDerWaalsContact CD-O 3.32Å; P633-V723 WeakPolarHBondContact CD-O 3.37Å; P633-L724 HydrophobicContact CG-CD2 4.23Å; P633-Y778 HydrophobicContact CG-CD1 4.3Å; P633-Y778 HydrophobicContact CG-CE1 3.74Å
634	Q	97	Very high	96.4	Very high	33 Å²	33	17.3 Å²	17.3	15%	0.154	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	147.5	171.7	-64.5	177.7	-53.9	0	0	111.3	A699 R730 W734	Q634-A699 HydrophobicContact CB-CB 4.36Å; Q634-A699 HydrophobicContact CG-CB 3.66Å; Q634-A699 PolarHBondContact N-O 3.23Å; Q634-R730 PolarHBondContact O-NE 2.58Å; Q634-W734 HydrophobicContact CB-CE3 4.28Å; Q634-W734 HydrophobicContact CB-CZ3 4.27Å; Q634-W734 VanDerWaalsContact CD-CZ3 3.44Å; Q634-W734 HydrophobicContact CG-CZ3 4.43Å
635	K	96.4	Very high	96.6	Very high	50 Å²	50	15.7 Å²	15.7	22%	0.217	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	14.2	172.9	-45.1	-53.3	-55.6	-175.7	0	116.6	R730 S733 W734 H737	K635-R730 HydrophobicContact CB-CG 4.47Å; K635-S733 WeakPolarHBondContact CE-O 3.28Å; K635-S733 VanDerWaalsContact CE-OG 3.22Å; K635-S733 WeakPolarHBondContact CE-OG 3.24Å; K635-W734 HydrophobicContact CD-CE3 4Å; K635-W734 HydrophobicContact CG-CB 4.02Å; K635-W734 HydrophobicContact CG-CE3 3.89Å; K635-H737 HydrophobicContact CD-CB 4.22Å; K635-H737 PolarHBondContact NZ-CD2 3.47Å
636	T	97.4	Very high	96.7	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	-103.5	0.8	-177.3	60.5	0	0	0	0	115	P633 V723 I725 R730	P633-T636 HydrophobicContact CB-CG2 4.48Å; P633-T636 HydrophobicContact CG-CG2 3.79Å; P633-T636 PolarHBondContact O-OG1 2.88Å; T636-V723 WeakPolarHBondContact CB-O 3.49Å; T636-V723 WeakPolarHBondContact CG2-O 3.42Å; T636-V723 VanDerWaalsContact O-CG1 3.26Å; T636-V723 WeakPolarHBondContact O-CG1 3.33Å; T636-V723 PolarHBondContact OG1-O 3.28Å; T636-I725 HydrophobicContact CG2-CD1 4.48Å; T636-I725 HydrophobicContact CG2-CG1 3.97Å; T636-R730 HydrophobicContact CG2-CG 3.98Å
637	G	96.1	Very high	96.6	Very high	30 Å²	30	18.9 Å²	18.9	31%	0.309	11%	0.111	S	C	.	.	S	Bend	trans	107.6	9.1	-179.4	0	0	0	0	0	114.7	T639 A640 L641	G637-T639 VanDerWaalsContact C-N 3.26Å; G637-T639 PolarHBondContact O-N 3.4Å; G637-T639 VanDerWaalsContact O-N 3.12Å; G637-A640 WeakPolarHBondContact O-CA 3.42Å; G637-A640 WeakPolarHBondContact O-CB 3.18Å; G637-A640 PolarHBondContact O-N 2.89Å; G637-L641 PolarHBondContact O-N 3.5Å
638	T	96.7	Very high	96.5	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-52.5	-35.1	-179.3	56.5	0	0	0	0	115.5	I630 H642 K697 A699 V723	I630-T638 HydrophobicContact CG2-CG2 4.15Å; T638-H642 WeakPolarHBondContact O-CB 3.25Å; T638-H642 PolarHBondContact O-N 3.4Å; T638-K697 VanDerWaalsContact CB-CE 3.49Å; T638-K697 WeakPolarHBondContact OG1-CE 3.36Å; T638-K697 PolarHBondContact OG1-NZ 2.97Å; T638-A699 HydrophobicContact CG2-CB 4.44Å; T638-V723 HydrophobicContact CG2-CB 4.39Å; T638-V723 HydrophobicContact CG2-CG2 4.2Å
639	T	96.1	Very high	96.2	Very high	18 Å²	18	19.9 Å²	19.9	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-71.2	-34.6	176.7	-52.7	0	0	0	0	111.4	G637 S643 E662 L850 K854	G637-T639 VanDerWaalsContact C-N 3.26Å; G637-T639 PolarHBondContact O-N 3.4Å; G637-T639 VanDerWaalsContact O-N 3.12Å; T639-S643 PolarHBondContact O-N 3.04Å; T639-S643 PolarHBondContact O-OG 3.2Å; T639-E662 HydrophobicContact CG2-CG 4.5Å; T639-E662 WeakPolarHBondContact CG2-OE1 3.33Å; T639-E662 PolarHBondContact OG1-OE1 3.39Å; T639-L850 HydrophobicContact CG2-CD2 4.4Å; T639-K854 HydrophobicContact CG2-CD 4.31Å; T639-K854 PolarHBondContact OG1-NZ 3.44Å
640	A	96.1	Very high	95.7	Very high	19 Å²	19	20.3 Å²	20.3	16%	0.157	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-46.4	173.3	0	0	0	0	0	110.5	G637 H642 S643 F644 L850	G637-A640 WeakPolarHBondContact O-CA 3.42Å; G637-A640 WeakPolarHBondContact O-CB 3.18Å; G637-A640 PolarHBondContact O-N 2.89Å; A640-H642 PolarHBondContact O-N 2.86Å; A640-S643 PolarHBondContact O-N 2.89Å; A640-F644 HydrophobicContact CB-CE2 4.16Å; A640-F644 HydrophobicContact CB-CZ 4.32Å; A640-F644 WeakPolarHBondContact O-CD2 3.44Å; A640-F644 WeakPolarHBondContact O-CG 3.29Å; A640-F644 PolarHBondContact O-N 2.89Å; A640-L850 HydrophobicContact CB-CD1 3.72Å
641	L	97.6	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-47.5	175.6	178.9	58.2	0	0	0	112	I630 G637 S643 F644 L645 V723 V797 L802 M810 I813	I630-L641 HydrophobicContact CD1-CD2 4.07Å; I630-L641 HydrophobicContact CD1-CG 4.06Å; I630-L641 HydrophobicContact CG2-CD2 4.25Å; G637-L641 PolarHBondContact O-N 3.5Å; L641-S643 PolarHBondContact O-N 3.22Å; L641-F644 PolarHBondContact O-N 2.94Å; L641-L645 HydrophobicContact CD1-CD1 3.98Å; L641-L645 HydrophobicContact CD1-CG 4.11Å; L641-L645 HydrophobicContact CG-CD1 3.93Å; L641-L645 WeakPolarHBondContact O-CB 3.32Å; L641-L645 WeakPolarHBondContact O-CG 3.49Å; L641-L645 PolarHBondContact O-N 2.88Å; L641-V723 HydrophobicContact CD2-CG2 3.53Å; L641-V797 HydrophobicContact CD2-CG2 4.33Å; L641-L802 HydrophobicContact CB-CD2 4Å; L641-M810 HydrophobicContact CD1-SD 3.67Å; L641-I813 HydrophobicContact CD1-CD1 3.42Å; L641-I813 VanDerWaalsContact CD1-CD1 3.42Å; L641-I813 HydrophobicContact CD2-CD1 4.24Å; L641-I813 HydrophobicContact CG-CD1 4.46Å
642	H	96.3	Very high	95.2	Very high	24 Å²	24	22.5 Å²	22.5	11%	0.111	14%	0.142	C	C	.	.	H	α-helix	trans	-54.3	-52.6	174	173.2	-72.6	0	0	0	111.2	T638 A640 F644 L645 S646 F695 K697	T638-H642 WeakPolarHBondContact O-CB 3.25Å; T638-H642 PolarHBondContact O-N 3.4Å; A640-H642 PolarHBondContact O-N 2.86Å; H642-F644 VanDerWaalsContact C-N 3.31Å; H642-F644 PolarHBondContact O-N 3.32Å; H642-L645 PolarHBondContact O-N 3.05Å; H642-S646 PolarHBondContact O-N 3.12Å; H642-S646 VanDerWaalsContact O-N 3.07Å; H642-S646 PolarHBondContact O-OG 2.79Å; H642-S646 VanDerWaalsContact O-OG 3.05Å; H642-F695 HydrophobicContact CB-CE2 4.27Å; H642-F695 AromaticContact CD2-CE2 3.46Å; H642-F695 VanDerWaalsContact CD2-CE2 3.46Å; H642-F695 WeakPolarHBondContact CD2-CE2 3.4Å; H642-F695 AromaticContact CD2-CZ 3.69Å; H642-K697 HydrophobicContact CB-CB 4.45Å
643	S	95.1	Very high	94.9	Very high	41 Å²	41	23.1 Å²	23.1	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-61.4	-36.1	-179.5	-67.3	0	0	0	0	113.6	T639 A640 L641 L850	T639-S643 PolarHBondContact O-N 3.04Å; T639-S643 PolarHBondContact O-OG 3.2Å; A640-S643 PolarHBondContact O-N 2.89Å; L641-S643 PolarHBondContact O-N 3.22Å; S643-L850 WeakPolarHBondContact OG-CD2 3.22Å
644	F	96.9	Very high	94.8	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.044	15%	0.152	C	C	.	.	H	α-helix	trans	-73	-41.3	176.9	-58.9	-22.9	0	0	0	111.8	A640 L641 H642 S646 L647 L802 P806 M810 Y825 L829 W838	A640-F644 HydrophobicContact CB-CE2 4.16Å; A640-F644 HydrophobicContact CB-CZ 4.32Å; A640-F644 WeakPolarHBondContact O-CD2 3.44Å; A640-F644 WeakPolarHBondContact O-CG 3.29Å; A640-F644 PolarHBondContact O-N 2.89Å; L641-F644 PolarHBondContact O-N 2.94Å; H642-F644 VanDerWaalsContact C-N 3.31Å; H642-F644 PolarHBondContact O-N 3.32Å; F644-S646 VanDerWaalsContact C-N 3.28Å; F644-S646 PolarHBondContact O-N 2.8Å; F644-L647 WeakPolarHBondContact O-CB 3.41Å; F644-L647 PolarHBondContact O-N 2.94Å; F644-L647 VanDerWaalsContact O-N 3.08Å; F644-L802 HydrophobicContact CD2-CD1 4.06Å; F644-L802 HydrophobicContact CE2-CD1 4.18Å; F644-P806 HydrophobicContact CD2-CB 4Å; F644-P806 HydrophobicContact CE2-CB 3.67Å; F644-P806 HydrophobicContact CE2-CG 4.28Å; F644-M810 HydrophobicContact CB-CE 3.92Å; F644-M810 HydrophobicContact CB-CG 4.33Å; F644-M810 HydrophobicContact CB-SD 3.85Å; F644-Y825 HydrophobicContact CB-CE1 4.49Å; F644-Y825 WeakPolarHBondContact O-CE1 3.47Å; F644-Y825 PolarHBondContact O-OH 3.15Å; F644-Y825 VanDerWaalsContact O-OH 3.11Å; F644-L829 HydrophobicContact CD1-CD1 4.34Å; F644-L829 HydrophobicContact CD1-CD2 3.51Å; F644-L829 HydrophobicContact CD2-CD1 4.37Å; F644-L829 HydrophobicContact CE1-CD2 3.63Å; F644-L829 HydrophobicContact CG-CD1 4.25Å; F644-L829 HydrophobicContact CG-CD2 4.21Å; F644-L829 HydrophobicContact CZ-CD2 4.4Å; F644-W838 HydrophobicContact CZ-CB 4.18Å
645	L	95.6	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-41.2	174.9	-77.2	165.8	0	0	0	111.9	F628 I630 L641 H642 L647 H648 I651 F695 L721 M810 I813 L817	F628-L645 HydrophobicContact CE2-CD1 3.88Å; F628-L645 HydrophobicContact CZ-CD1 4.18Å; F628-L645 HydrophobicContact CZ-CD2 4.45Å; I630-L645 HydrophobicContact CD1-CD1 3.6Å; L641-L645 HydrophobicContact CD1-CD1 3.98Å; L641-L645 HydrophobicContact CD1-CG 4.11Å; L641-L645 HydrophobicContact CG-CD1 3.93Å; L641-L645 WeakPolarHBondContact O-CB 3.32Å; L641-L645 WeakPolarHBondContact O-CG 3.49Å; L641-L645 PolarHBondContact O-N 2.88Å; H642-L645 PolarHBondContact O-N 3.05Å; L645-L647 PolarHBondContact O-N 2.95Å; L645-L647 VanDerWaalsContact O-N 3.08Å; L645-H648 WeakPolarHBondContact O-CB 3.29Å; L645-H648 PolarHBondContact O-N 3.5Å; L645-I651 HydrophobicContact CB-CG2 4.34Å; L645-I651 HydrophobicContact CD2-CD1 3.9Å; L645-F695 HydrophobicContact CB-CE1 3.98Å; L645-F695 HydrophobicContact CB-CE2 4.46Å; L645-F695 HydrophobicContact CB-CZ 3.76Å; L645-F695 HydrophobicContact CD1-CE2 4.1Å; L645-F695 HydrophobicContact CD1-CZ 4.22Å; L645-L721 HydrophobicContact CD1-CD1 4.45Å; L645-M810 HydrophobicContact CB-CE 4.4Å; L645-M810 HydrophobicContact CD2-CE 3.62Å; L645-M810 HydrophobicContact CG-CE 3.77Å; L645-I813 HydrophobicContact CD2-CG2 3.95Å; L645-L817 HydrophobicContact CD2-CD1 4.48Å
646	S	93.1	Very high	94.5	Very high	53 Å²	53	29.6 Å²	29.6	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.2	177.5	-54.1	0	0	0	0	115	H642 F644 H648	H642-S646 PolarHBondContact O-N 3.12Å; H642-S646 VanDerWaalsContact O-N 3.07Å; H642-S646 PolarHBondContact O-OG 2.79Å; H642-S646 VanDerWaalsContact O-OG 3.05Å; F644-S646 VanDerWaalsContact C-N 3.28Å; F644-S646 PolarHBondContact O-N 2.8Å; S646-H648 VanDerWaalsContact C-N 3.33Å
647	L	93.7	Very high	94.3	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.157	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.6	170.3	-57.3	178.5	0	0	0	112.4	F644 L645 F823 Y825 A828 L829 Q840	F644-L647 WeakPolarHBondContact O-CB 3.41Å; F644-L647 PolarHBondContact O-N 2.94Å; F644-L647 VanDerWaalsContact O-N 3.08Å; L645-L647 PolarHBondContact O-N 2.95Å; L645-L647 VanDerWaalsContact O-N 3.08Å; L647-F823 HydrophobicContact CB-CE1 4.07Å; L647-F823 HydrophobicContact CB-CZ 4.4Å; L647-Y825 HydrophobicContact CB-CE1 4.17Å; L647-Y825 HydrophobicContact CD1-CE1 4.44Å; L647-A828 HydrophobicContact CD1-CB 4.19Å; L647-L829 HydrophobicContact CD1-CD2 3.64Å; L647-L829 HydrophobicContact CD1-CG 4.46Å; L647-Q840 HydrophobicContact CD1-CB 4.5Å; L647-Q840 HydrophobicContact CD1-CG 4.28Å; L647-Q840 HydrophobicContact CD2-CB 4.41Å; L647-Q840 HydrophobicContact CD2-CG 3.73Å; L647-Q840 VanDerWaalsContact CD2-NE2 3.32Å
648	H	93.1	Very high	94.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	22%	0.217	C	C	.	.	S	Bend	trans	-77.4	126.4	-178.8	-169.5	-61.3	0	0	0	109.9	L645 S646 A650 I651 Q814 P821 F823	L645-H648 WeakPolarHBondContact O-CB 3.29Å; L645-H648 PolarHBondContact O-N 3.5Å; S646-H648 VanDerWaalsContact C-N 3.33Å; H648-A650 VanDerWaalsContact C-N 3.26Å; H648-A650 PolarHBondContact ND1-N 3.44Å; H648-A650 PolarHBondContact O-N 2.88Å; H648-I651 HydrophobicContact CB-CB 4.01Å; H648-I651 HydrophobicContact CB-CD1 3.85Å; H648-I651 HydrophobicContact CB-CG1 3.87Å; H648-I651 PolarHBondContact O-N 3.45Å; H648-Q814 PolarHBondContact CD2-OE1 3.09Å; H648-Q814 VanDerWaalsContact CD2-OE1 3.22Å; H648-Q814 PolarHBondContact NE2-OE1 3.03Å; H648-P821 PolarHBondContact CE1-O 3.23Å; H648-P821 PolarHBondContact NE2-O 3.48Å; H648-F823 HydrophobicContact CB-CB 4.44Å; H648-F823 WeakPolarHBondContact CD2-CB 3.33Å
649	P	90.6	Very high	93.9	Very high	96 Å²	96	38.5 Å²	38.5	62%	0.623	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.8	-173.7	23.1	-33.8	0	0	0	114
650	A	89.9	Confident	93.7	Very high	10 Å²	10	38.6 Å²	38.6	8%	0.083	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.9	175.9	0	0	0	0	0	115.5	H648 F693 V819	H648-A650 VanDerWaalsContact C-N 3.26Å; H648-A650 PolarHBondContact ND1-N 3.44Å; H648-A650 PolarHBondContact O-N 2.88Å; A650-F693 PolarHBondContact O-N 2.98Å; A650-V819 HydrophobicContact CB-CG2 4.09Å
651	I	92.6	Very high	93.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.9	-179.9	-56.2	179.3	0	0	0	109.5	F628 L645 H648 F693 F695 L817 V819	F628-I651 HydrophobicContact CE1-CG2 4.15Å; F628-I651 HydrophobicContact CZ-CG2 3.92Å; L645-I651 HydrophobicContact CB-CG2 4.34Å; L645-I651 HydrophobicContact CD2-CD1 3.9Å; H648-I651 HydrophobicContact CB-CB 4.01Å; H648-I651 HydrophobicContact CB-CD1 3.85Å; H648-I651 HydrophobicContact CB-CG1 3.87Å; H648-I651 PolarHBondContact O-N 3.45Å; I651-F693 WeakPolarHBondContact CA-O 3.46Å; I651-F693 HydrophobicContact CG1-CB 4.18Å; I651-F693 WeakPolarHBondContact CG2-O 3.31Å; I651-F695 HydrophobicContact CG2-CD1 3.48Å; I651-F695 VanDerWaalsContact CG2-CD1 3.48Å; I651-F695 HydrophobicContact CG2-CE1 3.56Å; I651-L817 HydrophobicContact CD1-CD1 4.33Å; I651-V819 HydrophobicContact CD1-CG1 4.47Å; I651-V819 HydrophobicContact CD1-CG2 4.42Å; I651-V819 HydrophobicContact CG1-CG2 4.11Å
652	T	92.7	Very high	93.1	Very high	40 Å²	40	46.8 Å²	46.8	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.1	-176.1	-54.8	0	0	0	0	110.1	P684 F693 M694 F695	T652-P684 HydrophobicContact CG2-CG 3.76Å; T652-F693 PolarHBondContact N-O 3.31Å; T652-M694 CarbonylContact O-C 3.34Å; T652-M694 VanDerWaalsContact O-CA 3.25Å; T652-M694 WeakPolarHBondContact O-CA 3.44Å; T652-F695 WeakPolarHBondContact O-CD1 3.36Å; T652-F695 PolarHBondContact O-N 3.45Å
653	G	92.6	Very high	93	Very high	13 Å²	13	46.6 Å²	46.6	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	158.9	173.1	0	0	0	0	0	111.6	F695	G653-F695 CarbonylContact C-O 3.21Å; G653-F695 VanDerWaalsContact CA-CE1 3.44Å
654	S	94.5	Very high	93.1	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-59.8	150.6	170.9	55.1	0	0	0	0	112.5	F682 F695	S654-F682 CarbonylContact C-O 3.59Å; S654-F682 WeakPolarHBondContact CA-O 3.46Å; S654-F695 PolarHBondContact N-O 3.25Å
655	F	94.7	Very high	93.1	Very high	105 Å²	105	46.7 Å²	46.7	46%	0.461	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-61.7	148	168.1	-63	-51	0	0	0	111.1	F682 P684	F655-F682 WeakPolarHBondContact CD2-O 3.45Å; F655-F682 PolarHBondContact N-O 2.98Å; F655-P684 HydrophobicContact CE2-CB 4.18Å; F655-P684 HydrophobicContact CZ-CB 3.82Å; F655-P684 HydrophobicContact CZ-CG 4.37Å
656	P	93.3	Very high	93.2	Very high	101 Å²	101	46.7 Å²	46.7	66%	0.656	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-69.8	141.3	179.7	28.8	-34.3	0	0	0	111.4	F661	P656-F661 CarbonylContact C-O 3.46Å; P656-F661 VanDerWaalsContact CA-O 3.26Å; P656-F661 WeakPolarHBondContact CA-O 3.4Å
657	S	93.6	Very high	93.4	Very high	12 Å²	12	44.1 Å²	44.1	8%	0.084	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-81.5	140.7	167.8	170.5	0	0	0	0	110.9	T659 T660 F661	S657-T659 PolarHBondContact O-N 3.2Å; S657-T659 PolarHBondContact OG-N 3.31Å; S657-T659 PolarHBondContact OG-OG1 3.22Å; S657-T660 WeakPolarHBondContact CB-OG1 3.37Å; S657-T660 PolarHBondContact OG-N 3.09Å; S657-T660 VanDerWaalsContact OG-N 3.16Å; S657-T660 PolarHBondContact OG-OG1 2.97Å; S657-F661 PolarHBondContact N-O 3.15Å; S657-F661 VanDerWaalsContact O-CA 3.24Å; S657-F661 WeakPolarHBondContact O-CA 3.43Å; S657-F661 PolarHBondContact O-N 2.89Å
658	A	91.9	Very high	93.4	Very high	105 Å²	105	44.1 Å²	44.1	87%	0.868	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.2	174.6	0	0	0	0	0	113.1
659	T	91.6	Very high	93.1	Very high	111 Å²	111	45.5 Å²	45.5	68%	0.681	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-32.1	-175.6	55.7	0	0	0	0	113	S657	S657-T659 PolarHBondContact O-N 3.2Å; S657-T659 PolarHBondContact OG-N 3.31Å; S657-T659 PolarHBondContact OG-OG1 3.22Å
660	T	92.1	Very high	93.2	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.129	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	8.4	-173.8	49.1	0	0	0	0	113.4	S657 E662 E663 Q665	S657-T660 WeakPolarHBondContact CB-OG1 3.37Å; S657-T660 PolarHBondContact OG-N 3.09Å; S657-T660 VanDerWaalsContact OG-N 3.16Å; S657-T660 PolarHBondContact OG-OG1 2.97Å; T660-E662 PolarHBondContact O-N 3.25Å; T660-E663 WeakPolarHBondContact CB-O 3.49Å; T660-E663 PolarHBondContact O-N 3.17Å; T660-E663 VanDerWaalsContact O-N 3.1Å; T660-E663 PolarHBondContact OG1-O 3.19Å; T660-Q665 HydrophobicContact CG2-CG 4.22Å
661	F	91.3	Very high	93.4	Very high	142 Å²	142	49.2 Å²	49.2	62%	0.623	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	56.3	-121.4	175.6	-51.2	-81.5	0	0	0	112.2	P656 S657 E663	P656-F661 CarbonylContact C-O 3.46Å; P656-F661 VanDerWaalsContact CA-O 3.26Å; P656-F661 WeakPolarHBondContact CA-O 3.4Å; S657-F661 PolarHBondContact N-O 3.15Å; S657-F661 VanDerWaalsContact O-CA 3.24Å; S657-F661 WeakPolarHBondContact O-CA 3.43Å; S657-F661 PolarHBondContact O-N 2.89Å; F661-E663 PolarHBondContact O-N 3.42Å
662	E	89.8	Confident	93.6	Very high	49 Å²	49	49 Å²	49	23%	0.229	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.3	179.6	73.2	-97.2	-150.5	0	0	114.5	T639 T660 K697 K854	T639-E662 HydrophobicContact CG2-CG 4.5Å; T639-E662 WeakPolarHBondContact CG2-OE1 3.33Å; T639-E662 PolarHBondContact OG1-OE1 3.39Å; T660-E662 PolarHBondContact O-N 3.25Å; E662-K697 HydrophobicContact CG-CD 4.35Å; E662-K697 IonicContact OE1-NZ 3.12Å; E662-K854 IonicContact OE1-NZ 2.79Å; E662-K854 PolarHBondContact OE1-NZ 3.04Å
663	E	95.2	Very high	93.6	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.093	29%	0.289	C	S	.	.			trans	-106.2	144.6	-179.8	-50.7	-168.9	170.7	0	0	111.6	T660 F661 Q665 K697 A699	T660-E663 WeakPolarHBondContact CB-O 3.49Å; T660-E663 PolarHBondContact O-N 3.17Å; T660-E663 VanDerWaalsContact O-N 3.1Å; T660-E663 PolarHBondContact OG1-O 3.19Å; F661-E663 PolarHBondContact O-N 3.42Å; E663-Q665 HydrophobicContact CB-CG 3.81Å; E663-Q665 PolarHBondContact OE2-NE2 2.87Å; E663-K697 VanDerWaalsContact CA-O 3.26Å; E663-K697 WeakPolarHBondContact CA-O 3.26Å; E663-K697 WeakPolarHBondContact CB-O 3.37Å; E663-K697 HydrophobicContact CG-CD 4.29Å; E663-K697 WeakPolarHBondContact CG-O 3.5Å; E663-K697 VanDerWaalsContact OE1-CE 3.26Å; E663-K697 WeakPolarHBondContact OE1-CE 3.22Å; E663-K697 IonicContact OE1-NZ 3.41Å; E663-K697 PolarHBondContact OE1-NZ 2.72Å; E663-A699 PolarHBondContact OE1-N 3.44Å
664	I	96.3	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.3	C	S	.	.			trans	-90.4	-39.8	173	-52.6	178.5	0	0	0	110.6	F666 N671 W678 Y679 F682 F683 E696 S698	I664-F666 HydrophobicContact CG2-CB 3.96Å; I664-F666 PolarHBondContact O-N 2.63Å; I664-N671 PolarHBondContact O-ND2 3.31Å; I664-W678 HydrophobicContact CG2-CH2 3.83Å; I664-W678 HydrophobicContact CG2-CZ3 3.64Å; I664-Y679 HydrophobicContact CD1-CD2 4.3Å; I664-Y679 HydrophobicContact CD1-CE2 3.8Å; I664-Y679 HydrophobicContact CG2-CD2 3.96Å; I664-Y679 HydrophobicContact CG2-CE2 4.08Å; I664-F682 HydrophobicContact CD1-CB 3.64Å; I664-F682 HydrophobicContact CD1-CD2 4.46Å; I664-F682 HydrophobicContact CD1-CG 3.96Å; I664-F682 HydrophobicContact CG1-CB 4.2Å; I664-F682 HydrophobicContact CG1-CD1 4.18Å; I664-F682 HydrophobicContact CG1-CG 4.05Å; I664-F682 HydrophobicContact CG2-CD2 3.83Å; I664-F682 HydrophobicContact CG2-CE2 3.99Å; I664-F682 HydrophobicContact CG2-CG 4.12Å; I664-F682 HydrophobicContact CG2-CZ 4.39Å; I664-F683 HydrophobicContact CD1-CE2 3.9Å; I664-F683 HydrophobicContact CD1-CZ 3.68Å; I664-E696 HydrophobicContact CD1-CB 3.59Å; I664-E696 HydrophobicContact CD1-CG 4.23Å; I664-E696 HydrophobicContact CG1-CB 4.17Å; I664-S698 PolarHBondContact N-OG 3.21Å
665	Q	96.8	Very high	93.7	Very high	52 Å²	52	51.7 Å²	51.7	24%	0.243	30%	0.296	C	S	.	.			trans	56.6	34.2	-178	-53.8	-174.3	-4.4	0	0	113.9	T660 E663 S698 N700	T660-Q665 HydrophobicContact CG2-CG 4.22Å; E663-Q665 HydrophobicContact CB-CG 3.81Å; E663-Q665 PolarHBondContact OE2-NE2 2.87Å; Q665-S698 PolarHBondContact N-OG 3.42Å; Q665-N700 VanDerWaalsContact CD-ND2 3.33Å; Q665-N700 WeakPolarHBondContact CG-ND2 3.42Å
666	F	97.8	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.			trans	-65.4	-54.6	-178.8	-177.2	-117.9	0	0	0	112.6	W603 I664 S668 N671 Y672 G675 W678 Y679 Y701 L714	W603-F666 AromaticContact CD1-CZ 3.8Å; I664-F666 HydrophobicContact CG2-CB 3.96Å; I664-F666 PolarHBondContact O-N 2.63Å; F666-S668 PolarHBondContact O-N 2.87Å; F666-N671 WeakPolarHBondContact CD2-O 3.36Å; F666-N671 WeakPolarHBondContact CE2-O 3.46Å; F666-Y672 HydrophobicContact CD1-CD2 4.04Å; F666-Y672 HydrophobicContact CD1-CE2 4.42Å; F666-Y672 AromaticContact CE1-CD2 3.69Å; F666-Y672 HydrophobicContact CE1-CD2 3.69Å; F666-Y672 AromaticContact CE1-CE2 3.8Å; F666-Y672 HydrophobicContact CE1-CE2 3.8Å; F666-Y672 HydrophobicContact CE2-CD2 4.23Å; F666-Y672 HydrophobicContact CG-CD2 4.44Å; F666-Y672 AromaticContact CZ-CD2 3.8Å; F666-Y672 HydrophobicContact CZ-CD2 3.8Å; F666-Y672 HydrophobicContact CZ-CE2 4.09Å; F666-Y672 WeakPolarHBondContact O-CA 3.5Å; F666-Y672 VanDerWaalsContact O-CB 3.26Å; F666-Y672 WeakPolarHBondContact O-CB 3.14Å; F666-Y672 PolarHBondContact O-N 2.92Å; F666-G675 WeakPolarHBondContact CE2-O 3.43Å; F666-W678 HydrophobicContact CB-CZ3 4.24Å; F666-W678 AromaticContact CD2-CE3 3.7Å; F666-W678 HydrophobicContact CD2-CE3 3.7Å; F666-W678 AromaticContact CD2-CZ3 3.67Å; F666-W678 HydrophobicContact CD2-CZ3 3.67Å; F666-W678 HydrophobicContact CE2-CE3 4.13Å; F666-W678 HydrophobicContact CG-CZ3 4.38Å; F666-Y679 HydrophobicContact CB-CD2 3.49Å; F666-Y679 VanDerWaalsContact CB-CD2 3.49Å; F666-Y679 HydrophobicContact CB-CE2 3.64Å; F666-Y679 HydrophobicContact CB-CG 4.46Å; F666-Y679 HydrophobicContact CD1-CD1 4.24Å; F666-Y679 AromaticContact CD1-CD2 3.52Å; F666-Y679 HydrophobicContact CD1-CD2 3.52Å; F666-Y679 AromaticContact CD1-CE2 3.86Å; F666-Y679 HydrophobicContact CD1-CE2 3.86Å; F666-Y679 AromaticContact CD1-CG 3.7Å; F666-Y679 HydrophobicContact CD1-CG 3.7Å; F666-Y679 HydrophobicContact CD2-CD2 4.02Å; F666-Y679 HydrophobicContact CD2-CG 4.32Å; F666-Y679 HydrophobicContact CE1-CD1 4.31Å; F666-Y679 HydrophobicContact CE1-CD2 4.22Å; F666-Y679 AromaticContact CE1-CG 3.92Å; F666-Y679 HydrophobicContact CE1-CG 3.92Å; F666-Y679 HydrophobicContact CE2-CG 4.5Å; F666-Y679 AromaticContact CG-CD2 3.4Å; F666-Y679 HydrophobicContact CG-CD2 3.4Å; F666-Y679 VanDerWaalsContact CG-CD2 3.4Å; F666-Y679 AromaticContact CG-CE2 3.93Å; F666-Y679 HydrophobicContact CG-CE2 3.93Å; F666-Y679 AromaticContact CG-CG 3.92Å; F666-Y679 HydrophobicContact CG-CG 3.92Å; F666-Y679 HydrophobicContact CZ-CG 4.32Å; F666-Y701 PolarHBondContact N-OH 3.27Å; F666-L714 HydrophobicContact CE1-CD2 3.9Å
667	F	98.1	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.7	-169.6	-62.1	-63.7	0	0	0	115.1	L629 Y672 Y679 Y701 A707 R710 A711 L714 L715	L629-F667 HydrophobicContact CD1-CD2 4.44Å; L629-F667 HydrophobicContact CD1-CE2 4.12Å; L629-F667 HydrophobicContact CD2-CE2 4.38Å; F667-Y672 HydrophobicContact CD1-CD2 4.08Å; F667-Y672 AromaticContact CD1-CE2 3.82Å; F667-Y672 HydrophobicContact CD1-CE2 3.82Å; F667-Y672 HydrophobicContact CE1-CE2 4.21Å; F667-Y679 HydrophobicContact CE2-CE2 4.49Å; F667-Y679 AromaticContact CE2-CZ 3.97Å; F667-Y679 WeakPolarHBondContact CE2-OH 3.49Å; F667-Y679 HydrophobicContact CZ-CE1 4.24Å; F667-Y701 HydrophobicContact CB-CD1 4.39Å; F667-Y701 HydrophobicContact CB-CE1 3.92Å; F667-Y701 HydrophobicContact CB-CE2 4.41Å; F667-Y701 HydrophobicContact CD2-CD2 4.33Å; F667-Y701 HydrophobicContact CD2-CE1 4.43Å; F667-Y701 AromaticContact CD2-CE2 3.55Å; F667-Y701 HydrophobicContact CD2-CE2 3.55Å; F667-Y701 AromaticContact CD2-CZ 3.6Å; F667-Y701 HydrophobicContact CE2-CE2 4.37Å; F667-Y701 HydrophobicContact CG-CE2 4.45Å; F667-Y701 PolarHBondContact N-OH 2.79Å; F667-A707 HydrophobicContact CB-CB 3.94Å; F667-R710 HydrophobicContact CB-CB 4.37Å; F667-R710 HydrophobicContact CD1-CB 3.79Å; F667-R710 HydrophobicContact CG-CB 4.5Å; F667-R710 VanDerWaalsContact O-CD 3.24Å; F667-R710 WeakPolarHBondContact O-CD 3.26Å; F667-R710 PolarHBondContact O-NH1 2.83Å; F667-A711 HydrophobicContact CD1-CB 4.28Å; F667-A711 HydrophobicContact CD2-CB 3.95Å; F667-A711 HydrophobicContact CE1-CB 4.38Å; F667-A711 HydrophobicContact CE2-CB 4.09Å; F667-A711 HydrophobicContact CG-CB 4.07Å; F667-A711 HydrophobicContact CZ-CB 4.3Å; F667-L714 HydrophobicContact CE1-CB 4.17Å; F667-L714 HydrophobicContact CE1-CD2 4.02Å; F667-L714 HydrophobicContact CZ-CB 4.43Å; F667-L714 HydrophobicContact CZ-CD2 4.05Å; F667-L715 HydrophobicContact CE2-CD1 3.9Å; F667-L715 HydrophobicContact CZ-CD1 3.73Å; F667-L715 HydrophobicContact CZ-CG 4.21Å
668	S	92.6	Very high	93.8	Very high	30 Å²	30	45 Å²	45	21%	0.21	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.6	-170	48.9	0	0	0	0	115.8	F666 N700	F666-S668 PolarHBondContact O-N 2.87Å; S668-N700 VanDerWaalsContact OG-CG 3.26Å; S668-N700 PolarHBondContact OG-ND2 2.89Å; S668-N700 PolarHBondContact OG-OD1 3.46Å
669	G	87.8	Confident	94	Very high	31 Å²	31	40 Å²	40	32%	0.32	21%	0.214	S	C	.	.	S	Bend	trans	-155.8	-150.1	-168.1	0	0	0	0	0	114.7	N671 Y672 R710	G669-N671 VanDerWaalsContact C-N 3.33Å; G669-N671 PolarHBondContact O-N 2.78Å; G669-Y672 WeakPolarHBondContact O-CB 3.37Å; G669-Y672 PolarHBondContact O-N 2.83Å; G669-R710 PolarHBondContact O-NH1 3.02Å
670	L	91.2	Very high	94.1	Very high	145 Å²	145	34.9 Å²	34.9	76%	0.759	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-69.7	-26.5	-174.6	-61.7	174.1	0	0	0	113.3	Y672 D673	L670-Y672 PolarHBondContact O-N 3.24Å; L670-Y672 VanDerWaalsContact O-N 3.07Å; L670-D673 PolarHBondContact O-N 3.27Å; L670-D673 VanDerWaalsContact O-N 3.08Å
671	N	95.4	Very high	94.2	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.203	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.8	-22.9	176.7	-72.4	-10.1	0	0	0	112.4	I664 F666 G669 D673 N674 W678	I664-N671 PolarHBondContact O-ND2 3.31Å; F666-N671 WeakPolarHBondContact CD2-O 3.36Å; F666-N671 WeakPolarHBondContact CE2-O 3.46Å; G669-N671 VanDerWaalsContact C-N 3.33Å; G669-N671 PolarHBondContact O-N 2.78Å; N671-D673 PolarHBondContact O-N 2.62Å; N671-N674 WeakPolarHBondContact O-CB 3.13Å; N671-N674 PolarHBondContact O-N 2.93Å; N671-W678 HydrophobicContact CB-CH2 3.69Å; N671-W678 HydrophobicContact CB-CZ2 4.39Å; N671-W678 HydrophobicContact CB-CZ3 3.84Å
672	Y	96.1	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.5	-34.4	176.4	-165.9	-106.5	0	0	0	113	P601 W603 F666 F667 G669 L670 N674 G675 R710	P601-Y672 VanDerWaalsContact O-CE1 3.27Å; P601-Y672 WeakPolarHBondContact O-CE1 3.24Å; W603-Y672 AromaticContact CD1-CE1 3.52Å; W603-Y672 AromaticContact CD1-CE2 3.47Å; W603-Y672 VanDerWaalsContact CD1-CE2 3.47Å; W603-Y672 AromaticContact CD1-CZ 3.2Å; W603-Y672 HydrophobicContact CG-CE1 4.23Å; W603-Y672 HydrophobicContact CG-CE2 4.37Å; W603-Y672 AromaticContact CG-CZ 3.85Å; W603-Y672 PolarHBondContact N-OH 3.19Å; W603-Y672 AromaticContact NE1-CD1 3.88Å; W603-Y672 AromaticContact NE1-CE1 3.65Å; W603-Y672 AromaticContact NE1-CZ 3.85Å; W603-Y672 PolarHBondContact NE1-O 3.5Å; F666-Y672 HydrophobicContact CD1-CD2 4.04Å; F666-Y672 HydrophobicContact CD1-CE2 4.42Å; F666-Y672 AromaticContact CE1-CD2 3.69Å; F666-Y672 HydrophobicContact CE1-CD2 3.69Å; F666-Y672 AromaticContact CE1-CE2 3.8Å; F666-Y672 HydrophobicContact CE1-CE2 3.8Å; F666-Y672 HydrophobicContact CE2-CD2 4.23Å; F666-Y672 HydrophobicContact CG-CD2 4.44Å; F666-Y672 AromaticContact CZ-CD2 3.8Å; F666-Y672 HydrophobicContact CZ-CD2 3.8Å; F666-Y672 HydrophobicContact CZ-CE2 4.09Å; F666-Y672 WeakPolarHBondContact O-CA 3.5Å; F666-Y672 VanDerWaalsContact O-CB 3.26Å; F666-Y672 WeakPolarHBondContact O-CB 3.14Å; F666-Y672 PolarHBondContact O-N 2.92Å; F667-Y672 HydrophobicContact CD1-CD2 4.08Å; F667-Y672 AromaticContact CD1-CE2 3.82Å; F667-Y672 HydrophobicContact CD1-CE2 3.82Å; F667-Y672 HydrophobicContact CE1-CE2 4.21Å; G669-Y672 WeakPolarHBondContact O-CB 3.37Å; G669-Y672 PolarHBondContact O-N 2.83Å; L670-Y672 PolarHBondContact O-N 3.24Å; L670-Y672 VanDerWaalsContact O-N 3.07Å; Y672-N674 PolarHBondContact O-N 2.94Å; Y672-G675 PolarHBondContact O-N 3.43Å; Y672-R710 VanDerWaalsContact CD1-CZ 3.44Å; Y672-R710 HydrophobicContact CD2-CB 4.35Å; Y672-R710 HydrophobicContact CD2-CG 4.39Å; Y672-R710 HydrophobicContact CE1-CG 4.06Å; Y672-R710 HydrophobicContact CE2-CB 3.67Å; Y672-R710 HydrophobicContact CE2-CG 3.86Å
673	D	93.4	Very high	94.5	Very high	53 Å²	53	31.6 Å²	31.6	28%	0.283	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-74.4	-15.6	-173.6	-57.8	-27.1	0	0	0	112.1	H496 L670 N671 G675	H496-D673 PolarHBondContact ND1-O 3.25Å; H496-D673 VanDerWaalsContact ND1-O 3.15Å; L670-D673 PolarHBondContact O-N 3.27Å; L670-D673 VanDerWaalsContact O-N 3.08Å; N671-D673 PolarHBondContact O-N 2.62Å; D673-G675 PolarHBondContact O-N 2.79Å
674	N	94.3	Very high	94.2	Very high	70 Å²	70	32 Å²	32	37%	0.374	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-68.6	-13.1	173.3	-61.6	-30.6	0	0	0	112.9	N671 Y672 W678	N671-N674 WeakPolarHBondContact O-CB 3.13Å; N671-N674 PolarHBondContact O-N 2.93Å; Y672-N674 PolarHBondContact O-N 2.94Å; N674-W678 HydrophobicContact CB-CB 3.59Å; N674-W678 HydrophobicContact CB-CD2 3.74Å; N674-W678 HydrophobicContact CB-CE3 4.25Å; N674-W678 HydrophobicContact CB-CG 3.43Å; N674-W678 VanDerWaalsContact CB-CG 3.43Å
675	G	95.1	Very high	93.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	86.1	176.8	172.8	0	0	0	0	0	115.1	F666 Y672 D673 D677 Y679	F666-G675 WeakPolarHBondContact CE2-O 3.43Å; Y672-G675 PolarHBondContact O-N 3.43Å; D673-G675 PolarHBondContact O-N 2.79Å; G675-D677 VanDerWaalsContact C-N 3.32Å; G675-D677 PolarHBondContact O-N 3.13Å; G675-Y679 PolarHBondContact O-N 3.39Å
676	I	95.3	Very high	92.5	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-36.7	-175.4	-56.2	173.8	0	0	0	111.2	W603 P606 W678 Y679 M680 L714	W603-I676 HydrophobicContact CB-CD1 3.97Å; W603-I676 HydrophobicContact CB-CG1 3.8Å; W603-I676 HydrophobicContact CD2-CG1 4.4Å; W603-I676 HydrophobicContact CG-CD1 4.5Å; W603-I676 HydrophobicContact CG-CG1 3.96Å; P606-I676 HydrophobicContact CG-CD1 3.87Å; I676-W678 PolarHBondContact O-N 3.04Å; I676-Y679 WeakPolarHBondContact O-CB 3.44Å; I676-Y679 PolarHBondContact O-N 3.38Å; I676-Y679 VanDerWaalsContact O-N 3.11Å; I676-M680 HydrophobicContact CG2-CG 4.12Å; I676-M680 HydrophobicContact CG2-SD 3.89Å; I676-M680 WeakPolarHBondContact O-CG 3.25Å; I676-M680 PolarHBondContact O-N 3.04Å; I676-L714 HydrophobicContact CD1-CD1 3.91Å; I676-L714 HydrophobicContact CG1-CD1 4.12Å; I676-L714 HydrophobicContact CG2-CD1 4.3Å
677	D	93.1	Very high	91	Very high	15 Å²	15	40 Å²	40	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-48	-178.2	-69.3	1	0	0	0	111.2	T462 K620 G675 Y679 M680 E681	T462-D677 PolarHBondContact N-OD2 3.34Å; T462-D677 PolarHBondContact OG1-OD2 3.13Å; K620-D677 WeakPolarHBondContact CE-OD1 3.37Å; K620-D677 WeakPolarHBondContact CE-OD2 3.46Å; K620-D677 IonicContact NZ-OD1 3.45Å; K620-D677 PolarHBondContact NZ-OD1 3.2Å; K620-D677 IonicContact NZ-OD2 3.91Å; K620-D677 PolarHBondContact NZ-OD2 3.43Å; G675-D677 VanDerWaalsContact C-N 3.32Å; G675-D677 PolarHBondContact O-N 3.13Å; D677-Y679 VanDerWaalsContact C-N 3.29Å; D677-Y679 PolarHBondContact O-N 3.19Å; D677-M680 PolarHBondContact O-N 2.76Å; D677-M680 VanDerWaalsContact O-N 3.16Å; D677-E681 WeakPolarHBondContact O-CG 3.48Å; D677-E681 PolarHBondContact O-N 3.28Å; D677-E681 VanDerWaalsContact O-N 3.14Å
678	W	94.8	Very high	89.1	Confident	54 Å²	54	48.4 Å²	48.4	21%	0.205	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-40.9	174	-178.3	87	0	0	0	112	I664 F666 N671 N674 I676 E681 F682	I664-W678 HydrophobicContact CG2-CH2 3.83Å; I664-W678 HydrophobicContact CG2-CZ3 3.64Å; F666-W678 HydrophobicContact CB-CZ3 4.24Å; F666-W678 AromaticContact CD2-CE3 3.7Å; F666-W678 HydrophobicContact CD2-CE3 3.7Å; F666-W678 AromaticContact CD2-CZ3 3.67Å; F666-W678 HydrophobicContact CD2-CZ3 3.67Å; F666-W678 HydrophobicContact CE2-CE3 4.13Å; F666-W678 HydrophobicContact CG-CZ3 4.38Å; N671-W678 HydrophobicContact CB-CH2 3.69Å; N671-W678 HydrophobicContact CB-CZ2 4.39Å; N671-W678 HydrophobicContact CB-CZ3 3.84Å; N674-W678 HydrophobicContact CB-CB 3.59Å; N674-W678 HydrophobicContact CB-CD2 3.74Å; N674-W678 HydrophobicContact CB-CE3 4.25Å; N674-W678 HydrophobicContact CB-CG 3.43Å; N674-W678 VanDerWaalsContact CB-CG 3.43Å; I676-W678 PolarHBondContact O-N 3.04Å; W678-E681 WeakPolarHBondContact O-CB 3.11Å; W678-E681 PolarHBondContact O-N 3.28Å; W678-F682 AromaticContact CD2-CE2 3.79Å; W678-F682 HydrophobicContact CD2-CE2 3.79Å; W678-F682 AromaticContact CE2-CE2 3.58Å; W678-F682 AromaticContact CE2-CZ 3.96Å; W678-F682 HydrophobicContact CE3-CD2 4.45Å; W678-F682 AromaticContact CE3-CE2 3.79Å; W678-F682 HydrophobicContact CE3-CE2 3.79Å; W678-F682 HydrophobicContact CH2-CD2 4.43Å; W678-F682 AromaticContact CH2-CE2 3.41Å; W678-F682 HydrophobicContact CH2-CE2 3.41Å; W678-F682 VanDerWaalsContact CH2-CE2 3.41Å; W678-F682 AromaticContact CH2-CZ 3.66Å; W678-F682 HydrophobicContact CH2-CZ 3.66Å; W678-F682 AromaticContact CZ2-CE2 3.43Å; W678-F682 HydrophobicContact CZ2-CE2 3.43Å; W678-F682 VanDerWaalsContact CZ2-CE2 3.43Å; W678-F682 AromaticContact CZ2-CZ 3.48Å; W678-F682 HydrophobicContact CZ2-CZ 3.48Å; W678-F682 VanDerWaalsContact CZ2-CZ 3.48Å; W678-F682 HydrophobicContact CZ3-CD2 4.29Å; W678-F682 AromaticContact CZ3-CE2 3.59Å; W678-F682 HydrophobicContact CZ3-CE2 3.59Å; W678-F682 HydrophobicContact CZ3-CZ 4.31Å; W678-F682 VanDerWaalsContact O-CD2 3.23Å; W678-F682 WeakPolarHBondContact O-CD2 3.36Å; W678-F682 WeakPolarHBondContact O-CE2 3.28Å
679	Y	96.3	Very high	87.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-40.2	177.3	-174.7	-119.5	0	0	0	112.3	L625 P626 I664 F666 F667 G675 I676 D677 E681 F682 F683 E696 L714 L715	L625-Y679 HydrophobicContact CD2-CD1 4.18Å; L625-Y679 HydrophobicContact CD2-CE1 4.39Å; P626-Y679 HydrophobicContact CG-CE1 3.97Å; P626-Y679 VanDerWaalsContact CG-OH 3.27Å; P626-Y679 WeakPolarHBondContact CG-OH 3.27Å; I664-Y679 HydrophobicContact CD1-CD2 4.3Å; I664-Y679 HydrophobicContact CD1-CE2 3.8Å; I664-Y679 HydrophobicContact CG2-CD2 3.96Å; I664-Y679 HydrophobicContact CG2-CE2 4.08Å; F666-Y679 HydrophobicContact CB-CD2 3.49Å; F666-Y679 VanDerWaalsContact CB-CD2 3.49Å; F666-Y679 HydrophobicContact CB-CE2 3.64Å; F666-Y679 HydrophobicContact CB-CG 4.46Å; F666-Y679 HydrophobicContact CD1-CD1 4.24Å; F666-Y679 AromaticContact CD1-CD2 3.52Å; F666-Y679 HydrophobicContact CD1-CD2 3.52Å; F666-Y679 AromaticContact CD1-CE2 3.86Å; F666-Y679 HydrophobicContact CD1-CE2 3.86Å; F666-Y679 AromaticContact CD1-CG 3.7Å; F666-Y679 HydrophobicContact CD1-CG 3.7Å; F666-Y679 HydrophobicContact CD2-CD2 4.02Å; F666-Y679 HydrophobicContact CD2-CG 4.32Å; F666-Y679 HydrophobicContact CE1-CD1 4.31Å; F666-Y679 HydrophobicContact CE1-CD2 4.22Å; F666-Y679 AromaticContact CE1-CG 3.92Å; F666-Y679 HydrophobicContact CE1-CG 3.92Å; F666-Y679 HydrophobicContact CE2-CG 4.5Å; F666-Y679 AromaticContact CG-CD2 3.4Å; F666-Y679 HydrophobicContact CG-CD2 3.4Å; F666-Y679 VanDerWaalsContact CG-CD2 3.4Å; F666-Y679 AromaticContact CG-CE2 3.93Å; F666-Y679 HydrophobicContact CG-CE2 3.93Å; F666-Y679 AromaticContact CG-CG 3.92Å; F666-Y679 HydrophobicContact CG-CG 3.92Å; F666-Y679 HydrophobicContact CZ-CG 4.32Å; F667-Y679 HydrophobicContact CE2-CE2 4.49Å; F667-Y679 AromaticContact CE2-CZ 3.97Å; F667-Y679 WeakPolarHBondContact CE2-OH 3.49Å; F667-Y679 HydrophobicContact CZ-CE1 4.24Å; G675-Y679 PolarHBondContact O-N 3.39Å; I676-Y679 WeakPolarHBondContact O-CB 3.44Å; I676-Y679 PolarHBondContact O-N 3.38Å; I676-Y679 VanDerWaalsContact O-N 3.11Å; D677-Y679 VanDerWaalsContact C-N 3.29Å; D677-Y679 PolarHBondContact O-N 3.19Å; Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.06Å; Y679-F682 PolarHBondContact O-N 3.06Å; Y679-F683 HydrophobicContact CD1-CE2 4.23Å; Y679-F683 HydrophobicContact CD2-CE2 4.35Å; Y679-F683 AromaticContact CE1-CE2 3.9Å; Y679-F683 HydrophobicContact CE1-CE2 3.9Å; Y679-F683 HydrophobicContact CE1-CZ 4.45Å; Y679-F683 HydrophobicContact CE2-CE2 4.04Å; Y679-F683 HydrophobicContact CE2-CZ 4.4Å; Y679-F683 HydrophobicContact CG-CE2 4.47Å; Y679-F683 AromaticContact CZ-CE2 3.82Å; Y679-F683 WeakPolarHBondContact O-CD2 3.5Å; Y679-F683 WeakPolarHBondContact O-CE2 3.25Å; Y679-E696 VanDerWaalsContact CE2-OE1 3.28Å; Y679-E696 WeakPolarHBondContact CE2-OE1 3.5Å; Y679-E696 PolarHBondContact OH-OE1 2.66Å; Y679-L714 HydrophobicContact CD1-CD2 3.99Å; Y679-L714 HydrophobicContact CE1-CD2 4.26Å; Y679-L715 HydrophobicContact CE1-CD1 4.36Å
680	M	93.8	Very high	85.5	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-28	179.2	-70.3	176.7	75.8	0	0	112.7	W616 K620 T621 R624 L625 I676 D677 F682 F683	W616-M680 HydrophobicContact CH2-CE 3.68Å; W616-M680 HydrophobicContact CH2-SD 3.78Å; W616-M680 HydrophobicContact CZ2-CE 4Å; W616-M680 HydrophobicContact CZ2-SD 3.54Å; W616-M680 VanDerWaalsContact CZ2-SD 3.54Å; K620-M680 HydrophobicContact CB-CE 4.11Å; T621-M680 VanDerWaalsContact O-CE 3.32Å; T621-M680 WeakPolarHBondContact O-CE 3.5Å; R624-M680 HydrophobicContact CB-CE 3.91Å; R624-M680 HydrophobicContact CG-CB 4.5Å; R624-M680 HydrophobicContact CG-CE 4.2Å; R624-M680 PolarHBondContact NE-O 2.9Å; R624-M680 PolarHBondContact NH2-O 2.83Å; L625-M680 HydrophobicContact CD2-CG 3.98Å; I676-M680 HydrophobicContact CG2-CG 4.12Å; I676-M680 HydrophobicContact CG2-SD 3.89Å; I676-M680 WeakPolarHBondContact O-CG 3.25Å; I676-M680 PolarHBondContact O-N 3.04Å; D677-M680 PolarHBondContact O-N 2.76Å; D677-M680 VanDerWaalsContact O-N 3.16Å; M680-F682 PolarHBondContact O-N 3.14Å; M680-F682 VanDerWaalsContact O-N 3.13Å; M680-F683 PolarHBondContact O-N 3.07Å
681	E	93.2	Very high	83.8	Confident	123 Å²	123	50.8 Å²	50.8	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-56.7	-26.9	176.8	-73.9	171.9	-172	0	0	113.4	D677 W678 Y679 F683	D677-E681 WeakPolarHBondContact O-CG 3.48Å; D677-E681 PolarHBondContact O-N 3.28Å; D677-E681 VanDerWaalsContact O-N 3.14Å; W678-E681 WeakPolarHBondContact O-CB 3.11Å; W678-E681 PolarHBondContact O-N 3.28Å; Y679-E681 VanDerWaalsContact C-N 3.29Å; Y679-E681 PolarHBondContact O-N 3.06Å; E681-F683 PolarHBondContact O-N 3.49Å
682	F	95.2	Very high	82.6	Confident	21 Å²	21	50 Å²	50	9%	0.092	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5	177	-67.8	-83.4	0	0	0	114.4	S654 F655 I664 W678 Y679 M680	S654-F682 CarbonylContact C-O 3.59Å; S654-F682 WeakPolarHBondContact CA-O 3.46Å; F655-F682 WeakPolarHBondContact CD2-O 3.45Å; F655-F682 PolarHBondContact N-O 2.98Å; I664-F682 HydrophobicContact CD1-CB 3.64Å; I664-F682 HydrophobicContact CD1-CD2 4.46Å; I664-F682 HydrophobicContact CD1-CG 3.96Å; I664-F682 HydrophobicContact CG1-CB 4.2Å; I664-F682 HydrophobicContact CG1-CD1 4.18Å; I664-F682 HydrophobicContact CG1-CG 4.05Å; I664-F682 HydrophobicContact CG2-CD2 3.83Å; I664-F682 HydrophobicContact CG2-CE2 3.99Å; I664-F682 HydrophobicContact CG2-CG 4.12Å; I664-F682 HydrophobicContact CG2-CZ 4.39Å; W678-F682 AromaticContact CD2-CE2 3.79Å; W678-F682 HydrophobicContact CD2-CE2 3.79Å; W678-F682 AromaticContact CE2-CE2 3.58Å; W678-F682 AromaticContact CE2-CZ 3.96Å; W678-F682 HydrophobicContact CE3-CD2 4.45Å; W678-F682 AromaticContact CE3-CE2 3.79Å; W678-F682 HydrophobicContact CE3-CE2 3.79Å; W678-F682 HydrophobicContact CH2-CD2 4.43Å; W678-F682 AromaticContact CH2-CE2 3.41Å; W678-F682 HydrophobicContact CH2-CE2 3.41Å; W678-F682 VanDerWaalsContact CH2-CE2 3.41Å; W678-F682 AromaticContact CH2-CZ 3.66Å; W678-F682 HydrophobicContact CH2-CZ 3.66Å; W678-F682 AromaticContact CZ2-CE2 3.43Å; W678-F682 HydrophobicContact CZ2-CE2 3.43Å; W678-F682 VanDerWaalsContact CZ2-CE2 3.43Å; W678-F682 AromaticContact CZ2-CZ 3.48Å; W678-F682 HydrophobicContact CZ2-CZ 3.48Å; W678-F682 VanDerWaalsContact CZ2-CZ 3.48Å; W678-F682 HydrophobicContact CZ3-CD2 4.29Å; W678-F682 AromaticContact CZ3-CE2 3.59Å; W678-F682 HydrophobicContact CZ3-CE2 3.59Å; W678-F682 HydrophobicContact CZ3-CZ 4.31Å; W678-F682 VanDerWaalsContact O-CD2 3.23Å; W678-F682 WeakPolarHBondContact O-CD2 3.36Å; W678-F682 WeakPolarHBondContact O-CE2 3.28Å; Y679-F682 PolarHBondContact O-N 3.06Å; M680-F682 PolarHBondContact O-N 3.14Å; M680-F682 VanDerWaalsContact O-N 3.13Å
683	F	93.1	Very high	82.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-117.2	141.2	-178	-61	-79.4	0	0	0	110.7	R624 P626 I664 Y679 M680 E681 M694 E696	R624-F683 HydrophobicContact CG-CB 3.81Å; R624-F683 VanDerWaalsContact CZ-O 3.31Å; R624-F683 PolarHBondContact NE-O 3.16Å; R624-F683 PolarHBondContact NH2-O 3.49Å; R624-F683 WeakPolarHBondContact O-CB 3.29Å; R624-F683 WeakPolarHBondContact O-CG 3.36Å; P626-F683 HydrophobicContact CB-CE1 3.77Å; P626-F683 HydrophobicContact CB-CZ 3.84Å; P626-F683 HydrophobicContact CG-CE1 3.99Å; P626-F683 HydrophobicContact CG-CE2 4.09Å; P626-F683 HydrophobicContact CG-CZ 3.52Å; I664-F683 HydrophobicContact CD1-CE2 3.9Å; I664-F683 HydrophobicContact CD1-CZ 3.68Å; Y679-F683 HydrophobicContact CD1-CE2 4.23Å; Y679-F683 HydrophobicContact CD2-CE2 4.35Å; Y679-F683 AromaticContact CE1-CE2 3.9Å; Y679-F683 HydrophobicContact CE1-CE2 3.9Å; Y679-F683 HydrophobicContact CE1-CZ 4.45Å; Y679-F683 HydrophobicContact CE2-CE2 4.04Å; Y679-F683 HydrophobicContact CE2-CZ 4.4Å; Y679-F683 HydrophobicContact CG-CE2 4.47Å; Y679-F683 AromaticContact CZ-CE2 3.82Å; Y679-F683 WeakPolarHBondContact O-CD2 3.5Å; Y679-F683 WeakPolarHBondContact O-CE2 3.25Å; M680-F683 PolarHBondContact O-N 3.07Å; E681-F683 PolarHBondContact O-N 3.49Å; F683-M694 HydrophobicContact CB-SD 3.83Å; F683-M694 HydrophobicContact CD1-CB 3.99Å; F683-M694 HydrophobicContact CD1-SD 4.23Å; F683-M694 HydrophobicContact CE1-CB 4.45Å; F683-M694 HydrophobicContact CG-SD 4.39Å; F683-E696 HydrophobicContact CE1-CB 4.42Å; F683-E696 HydrophobicContact CZ-CB 4.04Å; F683-E696 HydrophobicContact CZ-CG 4.49Å
684	P	88.8	Confident	82.2	Confident	29 Å²	29	49.3 Å²	49.3	19%	0.188	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.9	159.1	174.5	25.9	-30.7	0	0	0	110.9	T652 F655 M694	T652-P684 HydrophobicContact CG2-CG 3.76Å; F655-P684 HydrophobicContact CE2-CB 4.18Å; F655-P684 HydrophobicContact CZ-CB 3.82Å; F655-P684 HydrophobicContact CZ-CG 4.37Å; P684-M694 HydrophobicContact CG-CE 4.03Å; P684-M694 HydrophobicContact CG-SD 4.29Å; P684-M694 VanDerWaalsContact O-CE 3.31Å; P684-M694 WeakPolarHBondContact O-CE 3.14Å
685	F	84.2	Confident	82.3	Confident	121 Å²	121	46 Å²	46	53%	0.531	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-68.8	128.5	165	-78.2	-78.5	0	0	0	109.2	E619 S687	E619-F685 WeakPolarHBondContact O-CE1 3.2Å; F685-S687 PolarHBondContact O-N 3.17Å
686	P	73.8	Confident	82.4	Confident	38 Å²	38	45.9 Å²	45.9	25%	0.247	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.7	133.1	-178.8	21.1	-27.1	0	0	0	109.8	T621 D623 M694	T621-P686 HydrophobicContact CG2-CG 3.82Å; D623-P686 HydrophobicContact CB-CB 4.13Å; D623-P686 HydrophobicContact CB-CG 3.55Å; P686-M694 HydrophobicContact CB-CE 3.93Å; P686-M694 HydrophobicContact CG-CE 4.46Å
687	S	65.6	Low	82.5	Confident	60 Å²	60	45.7 Å²	45.7	42%	0.42	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-81.2	151.9	175.4	73.6	0	0	0	0	110.6	F685 V689	F685-S687 PolarHBondContact O-N 3.17Å; S687-V689 PolarHBondContact O-N 3.48Å
688	N	58.5	Low	82.8	Confident	176 Å²	176	45 Å²	45	94%	0.941	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-0.7	175.3	-73.1	-18.5	0	0	0	113.5
689	V	53.1	Low	82.9	Confident	133 Å²	133	42.4 Å²	42.4	81%	0.806	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-17.1	-162.1	-171.9	0	0	0	0	113.4	S687	S687-V689 PolarHBondContact O-N 3.48Å
690	S	51.2	Low	82.8	Confident	53 Å²	53	43.8 Å²	43.8	37%	0.371	25%	0.249	S	C	.	.	S	Bend	trans	-151.9	144.7	170.7	51.5	0	0	0	0	112	D692	S690-D692 VanDerWaalsContact C-N 3.25Å; S690-D692 PolarHBondContact O-N 3.38Å; S690-D692 PolarHBondContact OG-OD1 2.8Å
691	A	55.2	Low	83.1	Confident	71 Å²	71	43.6 Å²	43.6	59%	0.587	25%	0.248	S	C	*	.			trans	-68.9	83.5	173.9	0	0	0	0	0	109.8	F693	A691-F693 WeakPolarHBondContact O-CD2 3.32Å; A691-F693 PolarHBondContact O-N 3.37Å; A691-F693 VanDerWaalsContact O-N 3.15Å
692	D	71.1	Confident	83.3	Confident	21 Å²	21	37.8 Å²	37.8	11%	0.112	22%	0.221	C	C	.	.			trans	-66.2	115.8	-175.3	-64.1	-20.5	0	0	0	109.7	K627 S690 M694	K627-D692 PolarHBondContact NZ-O 2.96Å; S690-D692 VanDerWaalsContact C-N 3.25Å; S690-D692 PolarHBondContact O-N 3.38Å; S690-D692 PolarHBondContact OG-OD1 2.8Å; D692-M694 HydrophobicContact CB-CE 4.12Å; D692-M694 HydrophobicContact CB-CG 4.42Å; D692-M694 PolarHBondContact O-N 3.13Å
693	F	88.2	Confident	83.4	Confident	37 Å²	37	37.5 Å²	37.5	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	92.6	167.2	-82.7	-101.4	0	0	0	107.8	K627 F628 A650 I651 T652 A691 V819	K627-F693 HydrophobicContact CB-CD1 4.15Å; K627-F693 HydrophobicContact CD-CD1 3.78Å; K627-F693 HydrophobicContact CD-CE1 4.05Å; K627-F693 HydrophobicContact CD-CG 4.15Å; F628-F693 HydrophobicContact CE1-CB 4.27Å; A650-F693 PolarHBondContact O-N 2.98Å; I651-F693 WeakPolarHBondContact CA-O 3.46Å; I651-F693 HydrophobicContact CG1-CB 4.18Å; I651-F693 WeakPolarHBondContact CG2-O 3.31Å; T652-F693 PolarHBondContact N-O 3.31Å; A691-F693 WeakPolarHBondContact O-CD2 3.32Å; A691-F693 PolarHBondContact O-N 3.37Å; A691-F693 VanDerWaalsContact O-N 3.15Å; F693-V819 HydrophobicContact CD2-CB 4.47Å; F693-V819 HydrophobicContact CD2-CG2 3.94Å; F693-V819 HydrophobicContact CE2-CB 4.39Å; F693-V819 HydrophobicContact CE2-CG2 4.16Å
694	M	93.4	Very high	83.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.5	175.4	-63.6	-176.6	-160.8	0	0	111	P626 K627 T652 F683 P684 P686 D692	P626-M694 CarbonylContact C-O 3.49Å; P626-M694 VanDerWaalsContact CA-O 3.26Å; P626-M694 WeakPolarHBondContact CA-O 3.39Å; P626-M694 WeakPolarHBondContact CB-O 3.35Å; K627-M694 PolarHBondContact N-O 3.03Å; T652-M694 CarbonylContact O-C 3.34Å; T652-M694 VanDerWaalsContact O-CA 3.25Å; T652-M694 WeakPolarHBondContact O-CA 3.44Å; F683-M694 HydrophobicContact CB-SD 3.83Å; F683-M694 HydrophobicContact CD1-CB 3.99Å; F683-M694 HydrophobicContact CD1-SD 4.23Å; F683-M694 HydrophobicContact CE1-CB 4.45Å; F683-M694 HydrophobicContact CG-SD 4.39Å; P684-M694 HydrophobicContact CG-CE 4.03Å; P684-M694 HydrophobicContact CG-SD 4.29Å; P684-M694 VanDerWaalsContact O-CE 3.31Å; P684-M694 WeakPolarHBondContact O-CE 3.14Å; P686-M694 HydrophobicContact CB-CE 3.93Å; P686-M694 HydrophobicContact CG-CE 4.46Å; D692-M694 HydrophobicContact CB-CE 4.12Å; D692-M694 HydrophobicContact CB-CG 4.42Å; D692-M694 PolarHBondContact O-N 3.13Å
695	F	96.4	Very high	83.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.1	175.6	78.1	-78.9	0	0	0	112.6	F628 I630 H642 L645 I651 T652 G653 S654	F628-F695 HydrophobicContact CD1-CB 3.79Å; F628-F695 HydrophobicContact CD2-CB 3.64Å; F628-F695 HydrophobicContact CD2-CG 4.26Å; F628-F695 HydrophobicContact CE1-CB 3.5Å; F628-F695 VanDerWaalsContact CE1-CB 3.5Å; F628-F695 HydrophobicContact CE1-CD1 4.17Å; F628-F695 HydrophobicContact CE1-CG 4.03Å; F628-F695 HydrophobicContact CE2-CB 3.32Å; F628-F695 HydrophobicContact CE2-CD1 4.14Å; F628-F695 AromaticContact CE2-CD2 3.75Å; F628-F695 HydrophobicContact CE2-CD2 3.75Å; F628-F695 AromaticContact CE2-CG 3.47Å; F628-F695 HydrophobicContact CE2-CG 3.47Å; F628-F695 VanDerWaalsContact CE2-CG 3.47Å; F628-F695 HydrophobicContact CG-CB 3.87Å; F628-F695 HydrophobicContact CZ-CB 3.26Å; F628-F695 AromaticContact CZ-CD1 3.56Å; F628-F695 HydrophobicContact CZ-CD1 3.56Å; F628-F695 HydrophobicContact CZ-CD2 4.05Å; F628-F695 HydrophobicContact CZ-CE1 4.41Å; F628-F695 AromaticContact CZ-CG 3.34Å; F628-F695 HydrophobicContact CZ-CG 3.34Å; F628-F695 WeakPolarHBondContact O-CA 3.32Å; F628-F695 WeakPolarHBondContact O-CB 3.4Å; I630-F695 HydrophobicContact CD1-CD2 3.8Å; I630-F695 HydrophobicContact CD1-CE2 3.62Å; I630-F695 HydrophobicContact CG1-CD2 4.19Å; I630-F695 HydrophobicContact CG1-CE2 4.49Å; H642-F695 HydrophobicContact CB-CE2 4.27Å; H642-F695 AromaticContact CD2-CE2 3.46Å; H642-F695 VanDerWaalsContact CD2-CE2 3.46Å; H642-F695 WeakPolarHBondContact CD2-CE2 3.4Å; H642-F695 AromaticContact CD2-CZ 3.69Å; L645-F695 HydrophobicContact CB-CE1 3.98Å; L645-F695 HydrophobicContact CB-CE2 4.46Å; L645-F695 HydrophobicContact CB-CZ 3.76Å; L645-F695 HydrophobicContact CD1-CE2 4.1Å; L645-F695 HydrophobicContact CD1-CZ 4.22Å; I651-F695 HydrophobicContact CG2-CD1 3.48Å; I651-F695 VanDerWaalsContact CG2-CD1 3.48Å; I651-F695 HydrophobicContact CG2-CE1 3.56Å; T652-F695 WeakPolarHBondContact O-CD1 3.36Å; T652-F695 PolarHBondContact O-N 3.45Å; G653-F695 CarbonylContact C-O 3.21Å; G653-F695 VanDerWaalsContact CA-CE1 3.44Å; S654-F695 PolarHBondContact N-O 3.25Å
696	E	97	Very high	84.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.3	165	66.9	145.7	143	0	0	111.3	L629 I630 I664 Y679 F683 S698 Y701	L629-E696 HydrophobicContact CD2-CG 3.4Å; L629-E696 VanDerWaalsContact CD2-CG 3.4Å; I630-E696 PolarHBondContact N-O 3.21Å; I664-E696 HydrophobicContact CD1-CB 3.59Å; I664-E696 HydrophobicContact CD1-CG 4.23Å; I664-E696 HydrophobicContact CG1-CB 4.17Å; Y679-E696 VanDerWaalsContact CE2-OE1 3.28Å; Y679-E696 WeakPolarHBondContact CE2-OE1 3.5Å; Y679-E696 PolarHBondContact OH-OE1 2.66Å; F683-E696 HydrophobicContact CE1-CB 4.42Å; F683-E696 HydrophobicContact CZ-CB 4.04Å; F683-E696 HydrophobicContact CZ-CG 4.49Å; E696-S698 PolarHBondContact OE2-OG 3.15Å; E696-Y701 VanDerWaalsContact CD-OH 3.3Å; E696-Y701 VanDerWaalsContact OE1-CE2 3.26Å; E696-Y701 WeakPolarHBondContact OE1-CE2 3.39Å; E696-Y701 PolarHBondContact OE1-OH 3.37Å; E696-Y701 WeakPolarHBondContact OE2-CE2 3.38Å; E696-Y701 PolarHBondContact OE2-OH 2.92Å
697	K	97.3	Very high	85.6	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.8	174.5	175.4	-102.7	147.1	175.5	0	109.4	I630 T638 H642 E662 E663	I630-K697 HydrophobicContact CB-CB 3.85Å; I630-K697 HydrophobicContact CB-CG 3.78Å; I630-K697 HydrophobicContact CD1-CB 4.16Å; I630-K697 HydrophobicContact CD1-CG 4.37Å; I630-K697 HydrophobicContact CG1-CB 4.42Å; I630-K697 HydrophobicContact CG2-CB 4.46Å; I630-K697 HydrophobicContact CG2-CG 3.85Å; I630-K697 WeakPolarHBondContact O-CA 3.4Å; T638-K697 VanDerWaalsContact CB-CE 3.49Å; T638-K697 WeakPolarHBondContact OG1-CE 3.36Å; T638-K697 PolarHBondContact OG1-NZ 2.97Å; H642-K697 HydrophobicContact CB-CB 4.45Å; E662-K697 HydrophobicContact CG-CD 4.35Å; E662-K697 IonicContact OE1-NZ 3.12Å; E663-K697 VanDerWaalsContact CA-O 3.26Å; E663-K697 WeakPolarHBondContact CA-O 3.26Å; E663-K697 WeakPolarHBondContact CB-O 3.37Å; E663-K697 HydrophobicContact CG-CD 4.29Å; E663-K697 WeakPolarHBondContact CG-O 3.5Å; E663-K697 VanDerWaalsContact OE1-CE 3.26Å; E663-K697 WeakPolarHBondContact OE1-CE 3.22Å; E663-K697 IonicContact OE1-NZ 3.41Å; E663-K697 PolarHBondContact OE1-NZ 2.72Å
698	S	98.1	Very high	87.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.			trans	-140.4	102.3	177.8	-68	0	0	0	0	108.2	I630 I631 I664 Q665 E696 N700 Y701	I630-S698 PolarHBondContact O-N 2.56Å; I631-S698 CarbonylContact C-O 3.59Å; I664-S698 PolarHBondContact N-OG 3.21Å; Q665-S698 PolarHBondContact N-OG 3.42Å; E696-S698 PolarHBondContact OE2-OG 3.15Å; S698-N700 PolarHBondContact O-N 3.06Å; S698-Y701 VanDerWaalsContact CB-CE1 3.42Å; S698-Y701 VanDerWaalsContact CB-CE2 3.48Å; S698-Y701 WeakPolarHBondContact O-CB 2.97Å; S698-Y701 PolarHBondContact O-N 3.06Å; S698-Y701 VanDerWaalsContact O-N 3.15Å
699	A	97.3	Very high	89	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.5	-165.5	0	0	0	0	0	114.2	I631 Q634 T638 E663 Y701	I631-A699 CarbonylContact O-C 3.55Å; I631-A699 WeakPolarHBondContact O-CA 3.24Å; Q634-A699 HydrophobicContact CB-CB 4.36Å; Q634-A699 HydrophobicContact CG-CB 3.66Å; Q634-A699 PolarHBondContact N-O 3.23Å; T638-A699 HydrophobicContact CG2-CB 4.44Å; E663-A699 PolarHBondContact OE1-N 3.44Å; A699-Y701 VanDerWaalsContact C-N 3.34Å
700	N	95.4	Very high	91.1	Very high	28 Å²	28	28.1 Å²	28.1	15%	0.15	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.1	173.5	63.3	-10.3	0	0	0	113	Q665 S668 S698 S704	Q665-N700 VanDerWaalsContact CD-ND2 3.33Å; Q665-N700 WeakPolarHBondContact CG-ND2 3.42Å; S668-N700 VanDerWaalsContact OG-CG 3.26Å; S668-N700 PolarHBondContact OG-ND2 2.89Å; S668-N700 PolarHBondContact OG-OD1 3.46Å; S698-N700 PolarHBondContact O-N 3.06Å; N700-S704 WeakPolarHBondContact O-CB 3.32Å
701	Y	98.6	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-37	175.2	-71.9	-1.1	0	0	0	111.4	I631 F666 F667 E696 S698 A699 D703 S704 A707 W785	I631-Y701 HydrophobicContact CG2-CD2 4.3Å; I631-Y701 PolarHBondContact O-N 3.25Å; F666-Y701 PolarHBondContact N-OH 3.27Å; F667-Y701 HydrophobicContact CB-CD1 4.39Å; F667-Y701 HydrophobicContact CB-CE1 3.92Å; F667-Y701 HydrophobicContact CB-CE2 4.41Å; F667-Y701 HydrophobicContact CD2-CD2 4.33Å; F667-Y701 HydrophobicContact CD2-CE1 4.43Å; F667-Y701 AromaticContact CD2-CE2 3.55Å; F667-Y701 HydrophobicContact CD2-CE2 3.55Å; F667-Y701 AromaticContact CD2-CZ 3.6Å; F667-Y701 HydrophobicContact CE2-CE2 4.37Å; F667-Y701 HydrophobicContact CG-CE2 4.45Å; F667-Y701 PolarHBondContact N-OH 2.79Å; E696-Y701 VanDerWaalsContact CD-OH 3.3Å; E696-Y701 VanDerWaalsContact OE1-CE2 3.26Å; E696-Y701 WeakPolarHBondContact OE1-CE2 3.39Å; E696-Y701 PolarHBondContact OE1-OH 3.37Å; E696-Y701 WeakPolarHBondContact OE2-CE2 3.38Å; E696-Y701 PolarHBondContact OE2-OH 2.92Å; S698-Y701 VanDerWaalsContact CB-CE1 3.42Å; S698-Y701 VanDerWaalsContact CB-CE2 3.48Å; S698-Y701 WeakPolarHBondContact O-CB 2.97Å; S698-Y701 PolarHBondContact O-N 3.06Å; S698-Y701 VanDerWaalsContact O-N 3.15Å; A699-Y701 VanDerWaalsContact C-N 3.34Å; Y701-D703 PolarHBondContact O-N 3.44Å; Y701-S704 PolarHBondContact O-N 2.89Å; Y701-A707 HydrophobicContact CD1-CB 4.34Å; Y701-A707 HydrophobicContact CG-CB 4.36Å; Y701-W785 WeakPolarHBondContact O-CZ2 3.5Å
702	F	98.4	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-50.3	-175.5	-176.5	-97.8	0	0	0	113	I631 P633 A722 L724 Y778 H781 L782 W785	I631-F702 HydrophobicContact CD1-CD2 3.82Å; I631-F702 HydrophobicContact CG1-CB 4.48Å; I631-F702 HydrophobicContact CG1-CD2 4.2Å; I631-F702 VanDerWaalsContact O-CB 3.24Å; I631-F702 WeakPolarHBondContact O-CB 3.4Å; I631-F702 PolarHBondContact O-N 3.42Å; P633-F702 HydrophobicContact CB-CB 4.26Å; P633-F702 HydrophobicContact CB-CD1 3.6Å; P633-F702 HydrophobicContact CB-CE1 4.07Å; P633-F702 HydrophobicContact CB-CG 4.01Å; P633-F702 HydrophobicContact CG-CD1 3.82Å; P633-F702 HydrophobicContact CG-CE1 3.83Å; P633-F702 HydrophobicContact CG-CG 4.21Å; P633-F702 HydrophobicContact CG-CZ 4.27Å; F702-A722 HydrophobicContact CD2-CB 4.24Å; F702-A722 HydrophobicContact CE2-CB 4.11Å; F702-L724 HydrophobicContact CE2-CD2 4.25Å; F702-L724 HydrophobicContact CZ-CD2 4.11Å; F702-Y778 AromaticContact CE1-CD1 3.79Å; F702-Y778 HydrophobicContact CE1-CD1 3.79Å; F702-Y778 HydrophobicContact CE1-CE1 4.46Å; F702-Y778 AromaticContact CZ-CD1 3.82Å; F702-Y778 HydrophobicContact CZ-CD1 3.82Å; F702-Y778 HydrophobicContact CZ-CG 4.41Å; F702-H781 HydrophobicContact CD1-CB 3.94Å; F702-H781 AromaticContact CD1-CD2 3.96Å; F702-H781 HydrophobicContact CE1-CB 3.54Å; F702-H781 AromaticContact CE1-CD2 3.51Å; F702-H781 AromaticContact CE1-CG 3.82Å; F702-H781 HydrophobicContact CE2-CB 4.34Å; F702-H781 HydrophobicContact CZ-CB 3.76Å; F702-L782 HydrophobicContact CE2-CD2 3.7Å; F702-L782 HydrophobicContact CE2-CG 4.03Å; F702-L782 HydrophobicContact CZ-CD2 4.45Å; F702-L782 HydrophobicContact CZ-CG 4.29Å; F702-W785 PolarHBondContact O-NE1 3.32Å
703	D	95.8	Very high	96.7	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.5	-178.2	62.6	-39.8	0	0	0	113.8	Y701 R771 P775 R784	Y701-D703 PolarHBondContact O-N 3.44Å; D703-R771 IonicContact OD2-CZ 3.47Å; D703-R771 IonicContact OD2-NH1 3.97Å; D703-R771 PolarHBondContact OD2-NH1 3.33Å; D703-R771 IonicContact OD2-NH2 3.91Å; D703-P775 HydrophobicContact CB-CB 4.04Å; D703-P775 HydrophobicContact CB-CG 4.31Å; D703-R784 PolarHBondContact O-NH2 3.47Å
704	S	97	Very high	97.1	Very high	19 Å²	19	20.8 Å²	20.8	13%	0.133	11%	0.105	C	C	.	.			trans	-71	137	175.7	-179	0	0	0	0	112.3	N700 Y701 M706 A707 P708 R784	N700-S704 WeakPolarHBondContact O-CB 3.32Å; Y701-S704 PolarHBondContact O-N 2.89Å; S704-M706 PolarHBondContact OG-N 2.96Å; S704-A707 PolarHBondContact OG-N 3.21Å; S704-P708 WeakPolarHBondContact O-CD 3.36Å; S704-R784 PolarHBondContact O-NH2 2.86Å
705	E	95.2	Very high	97.3	Very high	142 Å²	142	21.1 Å²	21.1	66%	0.664	11%	0.106	S	C	*	.	S	Bend	trans	-74.5	-36	175.2	-74.1	171.7	-164.8	0	0	112.5
706	M	95.8	Very high	97.3	Very high	88 Å²	88	23.2 Å²	23.2	43%	0.433	12%	0.12	S	C	.	.	S	Bend	trans	-92.1	-23.9	-173.9	-67.9	-61.3	-65.9	0	0	113.6	S704 K709 R710	S704-M706 PolarHBondContact OG-N 2.96Å; M706-K709 PolarHBondContact O-N 2.91Å; M706-R710 WeakPolarHBondContact O-CB 3.5Å; M706-R710 WeakPolarHBondContact O-CG 3.44Å; M706-R710 PolarHBondContact O-N 3.01Å
707	A	98.1	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-43.5	-174.7	0	0	0	0	0	113.8	F667 Y701 S704 K709 R710 A711 W785	F667-A707 HydrophobicContact CB-CB 3.94Å; Y701-A707 HydrophobicContact CD1-CB 4.34Å; Y701-A707 HydrophobicContact CG-CB 4.36Å; S704-A707 PolarHBondContact OG-N 3.21Å; A707-K709 PolarHBondContact O-N 2.95Å; A707-R710 PolarHBondContact O-N 2.89Å; A707-A711 WeakPolarHBondContact O-CB 3.4Å; A707-A711 PolarHBondContact O-N 2.88Å; A707-W785 HydrophobicContact CB-CH2 4.49Å; A707-W785 HydrophobicContact CB-CZ2 4.14Å
708	P	98.5	Very high	97.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-49.8	178.2	-25	33.5	0	0	0	113.2	S704 A711 A712 W785 Y788	S704-P708 WeakPolarHBondContact O-CD 3.36Å; P708-A711 PolarHBondContact O-N 2.94Å; P708-A712 VanDerWaalsContact O-CB 3.28Å; P708-A712 WeakPolarHBondContact O-CB 3.22Å; P708-A712 PolarHBondContact O-N 3.1Å; P708-W785 HydrophobicContact CB-CD2 4.11Å; P708-W785 HydrophobicContact CB-CE3 4.28Å; P708-W785 HydrophobicContact CB-CG 4.39Å; P708-W785 HydrophobicContact CG-CD2 3.87Å; P708-W785 HydrophobicContact CG-CE3 4.47Å; P708-W785 HydrophobicContact CG-CG 4.02Å; P708-W785 HydrophobicContact CG-CZ2 4.11Å; P708-Y788 HydrophobicContact CB-CD2 3.55Å; P708-Y788 HydrophobicContact CB-CE2 4.1Å; P708-Y788 HydrophobicContact CB-CG 4.4Å
709	K	97.6	Very high	97.3	Very high	91 Å²	91	35.8 Å²	35.8	40%	0.396	17%	0.17	S	C	.	.	H	α-helix	trans	-61.5	-46.6	179.7	-177.3	178.5	176.5	178.4	0	111.7	L602 M706 A707 A713 Y788	L602-K709 HydrophobicContact CD1-CG 4.2Å; M706-K709 PolarHBondContact O-N 2.91Å; A707-K709 PolarHBondContact O-N 2.95Å; K709-A713 PolarHBondContact O-N 3.5Å; K709-A713 VanDerWaalsContact O-N 3.09Å; K709-Y788 HydrophobicContact CB-CD1 4.44Å; K709-Y788 HydrophobicContact CB-CE1 3.87Å; K709-Y788 HydrophobicContact CB-CE2 4.01Å; K709-Y788 HydrophobicContact CG-CE1 3.9Å
710	R	98.1	Very high	97.4	Very high	20 Å²	20	35.8 Å²	35.8	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-68.7	-41.8	-178.8	-71.6	174.1	164.5	-177.2	-8.8	112.2	L602 F667 G669 Y672 M706 A707 A713 L714	L602-R710 HydrophobicContact CD1-CG 4.14Å; F667-R710 HydrophobicContact CB-CB 4.37Å; F667-R710 HydrophobicContact CD1-CB 3.79Å; F667-R710 HydrophobicContact CG-CB 4.5Å; F667-R710 VanDerWaalsContact O-CD 3.24Å; F667-R710 WeakPolarHBondContact O-CD 3.26Å; F667-R710 PolarHBondContact O-NH1 2.83Å; G669-R710 PolarHBondContact O-NH1 3.02Å; Y672-R710 VanDerWaalsContact CD1-CZ 3.44Å; Y672-R710 HydrophobicContact CD2-CB 4.35Å; Y672-R710 HydrophobicContact CD2-CG 4.39Å; Y672-R710 HydrophobicContact CE1-CG 4.06Å; Y672-R710 HydrophobicContact CE2-CB 3.67Å; Y672-R710 HydrophobicContact CE2-CG 3.86Å; M706-R710 WeakPolarHBondContact O-CB 3.5Å; M706-R710 WeakPolarHBondContact O-CG 3.44Å; M706-R710 PolarHBondContact O-N 3.01Å; A707-R710 PolarHBondContact O-N 2.89Å; R710-A713 PolarHBondContact O-N 3.05Å; R710-L714 PolarHBondContact O-N 3.46Å
711	A	98.6	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-43.6	176.4	0	0	0	0	0	110.9	L629 F667 A707 P708 A713 L714 L715 W785 Y789	L629-A711 HydrophobicContact CD1-CB 3.9Å; F667-A711 HydrophobicContact CD1-CB 4.28Å; F667-A711 HydrophobicContact CD2-CB 3.95Å; F667-A711 HydrophobicContact CE1-CB 4.38Å; F667-A711 HydrophobicContact CE2-CB 4.09Å; F667-A711 HydrophobicContact CG-CB 4.07Å; F667-A711 HydrophobicContact CZ-CB 4.3Å; A707-A711 WeakPolarHBondContact O-CB 3.4Å; A707-A711 PolarHBondContact O-N 2.88Å; P708-A711 PolarHBondContact O-N 2.94Å; A711-A713 PolarHBondContact O-N 3.25Å; A711-L714 PolarHBondContact O-N 3.06Å; A711-L715 CarbonylContact O-C 3.59Å; A711-L715 VanDerWaalsContact O-CA 3.26Å; A711-L715 WeakPolarHBondContact O-CA 3.26Å; A711-L715 WeakPolarHBondContact O-CB 3.33Å; A711-L715 PolarHBondContact O-N 3.26Å; A711-W785 HydrophobicContact CB-CH2 4.23Å; A711-W785 HydrophobicContact CB-CZ3 4.22Å; A711-Y789 HydrophobicContact CB-CE2 4.34Å; A711-Y789 PolarHBondContact O-OH 2.92Å
712	A	98.3	Very high	97.5	Very high	15 Å²	15	34.5 Å²	34.5	12%	0.124	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-32.6	178.6	0	0	0	0	0	113.3	P708 P716 Y788 Y789	P708-A712 VanDerWaalsContact O-CB 3.28Å; P708-A712 WeakPolarHBondContact O-CB 3.22Å; P708-A712 PolarHBondContact O-N 3.1Å; A712-P716 VanDerWaalsContact O-CA 3.24Å; A712-P716 WeakPolarHBondContact O-CA 3.43Å; A712-P716 VanDerWaalsContact O-CB 3.24Å; A712-P716 WeakPolarHBondContact O-CB 3.37Å; A712-P716 VanDerWaalsContact O-CD 3.27Å; A712-P716 WeakPolarHBondContact O-CD 3.41Å; A712-Y788 HydrophobicContact CB-CD1 4.47Å; A712-Y788 HydrophobicContact CB-CG 4.38Å; A712-Y789 HydrophobicContact CB-CD2 4.42Å; A712-Y789 HydrophobicContact CB-CE2 3.86Å; A712-Y789 PolarHBondContact N-OH 2.97Å
713	A	97.1	Very high	97.5	Very high	13 Å²	13	34.5 Å²	34.5	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-43.8	175.3	0	0	0	0	0	112.3	L602 W603 Q604 N605 K709 R710 A711	L602-A713 HydrophobicContact CD1-CB 3.73Å; L602-A713 HydrophobicContact CD2-CB 4.21Å; L602-A713 HydrophobicContact CG-CB 3.73Å; W603-A713 CarbonylContact O-C 3.6Å; W603-A713 WeakPolarHBondContact O-CB 3.49Å; Q604-A713 CarbonylContact C-O 3.58Å; Q604-A713 WeakPolarHBondContact CA-O 3.28Å; N605-A713 PolarHBondContact N-O 2.77Å; K709-A713 PolarHBondContact O-N 3.5Å; K709-A713 VanDerWaalsContact O-N 3.09Å; R710-A713 PolarHBondContact O-N 3.05Å; A711-A713 PolarHBondContact O-N 3.25Å
714	L	97.6	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-86.6	-37.2	-179	-176.6	58.1	0	0	0	113	W603 N605 L625 F666 F667 I676 Y679 R710 A711 P716	W603-L714 PolarHBondContact O-N 3.12Å; N605-L714 VanDerWaalsContact CB-O 3.23Å; N605-L714 WeakPolarHBondContact CB-O 3.34Å; N605-L714 VanDerWaalsContact CG-O 3.31Å; N605-L714 PolarHBondContact ND2-O 3.24Å; L625-L714 HydrophobicContact CD1-CD1 4.42Å; F666-L714 HydrophobicContact CE1-CD2 3.9Å; F667-L714 HydrophobicContact CE1-CB 4.17Å; F667-L714 HydrophobicContact CE1-CD2 4.02Å; F667-L714 HydrophobicContact CZ-CB 4.43Å; F667-L714 HydrophobicContact CZ-CD2 4.05Å; I676-L714 HydrophobicContact CD1-CD1 3.91Å; I676-L714 HydrophobicContact CG1-CD1 4.12Å; I676-L714 HydrophobicContact CG2-CD1 4.3Å; Y679-L714 HydrophobicContact CD1-CD2 3.99Å; Y679-L714 HydrophobicContact CE1-CD2 4.26Å; R710-L714 PolarHBondContact O-N 3.46Å; A711-L714 PolarHBondContact O-N 3.06Å; L714-P716 WeakPolarHBondContact O-CD 3.4Å
715	L	97.5	Very high	97.7	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	16%	0.159	C	C	.	.			trans	-128.9	56.7	-171.2	-53	175	0	0	0	111.5	L625 P626 L629 F667 Y679 A711 R717 A718 Y789	L625-L715 HydrophobicContact CB-CD2 3.83Å; L625-L715 HydrophobicContact CD1-CD2 4.17Å; L625-L715 HydrophobicContact CD2-CD2 4.34Å; L625-L715 HydrophobicContact CG-CD2 4.34Å; P626-L715 HydrophobicContact CG-CD1 3.79Å; P626-L715 HydrophobicContact CG-CD2 4.49Å; L629-L715 HydrophobicContact CD1-CD1 4.22Å; L629-L715 HydrophobicContact CD2-CD1 3.96Å; L629-L715 HydrophobicContact CG-CD1 4.36Å; F667-L715 HydrophobicContact CE2-CD1 3.9Å; F667-L715 HydrophobicContact CZ-CD1 3.73Å; F667-L715 HydrophobicContact CZ-CG 4.21Å; Y679-L715 HydrophobicContact CE1-CD1 4.36Å; A711-L715 CarbonylContact O-C 3.59Å; A711-L715 VanDerWaalsContact O-CA 3.26Å; A711-L715 WeakPolarHBondContact O-CA 3.26Å; A711-L715 WeakPolarHBondContact O-CB 3.33Å; A711-L715 PolarHBondContact O-N 3.26Å; L715-R717 PolarHBondContact O-N 3.16Å; L715-R717 VanDerWaalsContact O-N 3.13Å; L715-A718 HydrophobicContact CB-CB 3.81Å; L715-A718 WeakPolarHBondContact O-CB 3.46Å; L715-A718 PolarHBondContact O-N 2.8Å; L715-Y789 PolarHBondContact O-OH 3.02Å
716	P	96.9	Very high	97.8	Very high	44 Å²	44	28 Å²	28	29%	0.286	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	-174.7	25.2	-36.7	0	0	0	113.5	H608 A712 L714 Q793	H608-P716 WeakPolarHBondContact CE1-CG 3.46Å; A712-P716 VanDerWaalsContact O-CA 3.24Å; A712-P716 WeakPolarHBondContact O-CA 3.43Å; A712-P716 VanDerWaalsContact O-CB 3.24Å; A712-P716 WeakPolarHBondContact O-CB 3.37Å; A712-P716 VanDerWaalsContact O-CD 3.27Å; A712-P716 WeakPolarHBondContact O-CD 3.41Å; L714-P716 WeakPolarHBondContact O-CD 3.4Å; P716-Q793 PolarHBondContact O-NE2 3.03Å
717	R	95.9	Very high	97.9	Very high	201 Å²	201	23.8 Å²	23.8	76%	0.758	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.9	179.8	-63.2	-177.1	-175.5	168.3	4.5	113.7	L715	L715-R717 PolarHBondContact O-N 3.16Å; L715-R717 VanDerWaalsContact O-N 3.13Å
718	A	97.2	Very high	97.9	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.025	11%	0.11	C	C	.	.			trans	-64.3	147.6	-179.4	0	0	0	0	0	111	K627 L715 Y789 Q793	K627-A718 CarbonylContact O-C 3.47Å; K627-A718 WeakPolarHBondContact O-CA 3.33Å; L715-A718 HydrophobicContact CB-CB 3.81Å; L715-A718 WeakPolarHBondContact O-CB 3.46Å; L715-A718 PolarHBondContact O-N 2.8Å; A718-Y789 HydrophobicContact CB-CE1 4.45Å; A718-Y789 WeakPolarHBondContact O-CE1 3.15Å; A718-Q793 PolarHBondContact O-NE2 3.12Å
719	K	98.4	Very high	97.8	Very high	64 Å²	64	26.5 Å²	26.5	28%	0.278	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	152.7	165.7	-57	-133.4	179.4	-166.2	0	110.2	K627 F628 L629 Q793 F816 L817	K627-K719 PolarHBondContact O-N 2.89Å; F628-K719 CarbonylContact C-O 3.57Å; F628-K719 WeakPolarHBondContact CA-O 3.16Å; F628-K719 HydrophobicContact CB-CB 3.84Å; F628-K719 VanDerWaalsContact CB-O 3.25Å; F628-K719 WeakPolarHBondContact CB-O 3.48Å; L629-K719 PolarHBondContact N-O 3.42Å; K719-Q793 CarbonylContact C-O 3.57Å; K719-Q793 WeakPolarHBondContact CA-O 3.48Å; K719-F816 HydrophobicContact CB-CE1 3.63Å; K719-F816 HydrophobicContact CB-CZ 3.85Å; K719-F816 HydrophobicContact CD-CD1 3.98Å; K719-F816 HydrophobicContact CD-CD2 4.26Å; K719-F816 HydrophobicContact CD-CE1 3.46Å; K719-F816 VanDerWaalsContact CD-CE1 3.46Å; K719-F816 HydrophobicContact CD-CE2 3.77Å; K719-F816 HydrophobicContact CD-CG 4.38Å; K719-F816 HydrophobicContact CD-CZ 3.36Å; K719-F816 VanDerWaalsContact CE-O 3.28Å; K719-F816 WeakPolarHBondContact CE-O 3.47Å; K719-F816 HydrophobicContact CG-CE1 4.18Å; K719-F816 HydrophobicContact CG-CZ 4.2Å; K719-F816 PolarHBondContact NZ-O 2.81Å; K719-L817 HydrophobicContact CB-CD2 4.12Å; K719-L817 HydrophobicContact CD-CD2 4.45Å; K719-L817 HydrophobicContact CG-CD2 4.42Å
720	V	98.7	Very high	97.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.4	-174.8	-179.6	0	0	0	0	108.8	I631 W785 Y789 Q793 L794 H795	I631-V720 HydrophobicContact CB-CG1 4.46Å; I631-V720 HydrophobicContact CD1-CG1 3.52Å; I631-V720 HydrophobicContact CG1-CG1 3.84Å; I631-V720 HydrophobicContact CG2-CG1 3.78Å; V720-W785 HydrophobicContact CG1-CD2 4.49Å; V720-W785 HydrophobicContact CG1-CE3 4Å; V720-W785 HydrophobicContact CG1-CZ3 4.3Å; V720-W785 HydrophobicContact CG2-CE3 4.14Å; V720-W785 HydrophobicContact CG2-CZ3 4.18Å; V720-Y789 HydrophobicContact CG2-CD1 3.86Å; V720-Y789 HydrophobicContact CG2-CD2 4.17Å; V720-Y789 HydrophobicContact CG2-CE1 3.97Å; V720-Y789 HydrophobicContact CG2-CE2 4.25Å; V720-Y789 HydrophobicContact CG2-CG 3.96Å; V720-Q793 PolarHBondContact N-O 2.91Å; V720-L794 HydrophobicContact CB-CD1 4.13Å; V720-L794 HydrophobicContact CG1-CD1 3.8Å; V720-L794 WeakPolarHBondContact O-CA 3.41Å; V720-H795 PolarHBondContact O-N 2.7Å
721	L	98.7	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.2	176.5	-59.8	-176	0	0	0	109.9	F628 L629 I630 I631 L645 H795 I813 F816	F628-L721 HydrophobicContact CD2-CD1 3.88Å; F628-L721 HydrophobicContact CD2-CG 4.33Å; F628-L721 HydrophobicContact CE2-CD1 3.93Å; L629-L721 PolarHBondContact O-N 3.46Å; I630-L721 WeakPolarHBondContact CA-O 3.35Å; I630-L721 HydrophobicContact CG1-CB 4.24Å; I630-L721 HydrophobicContact CG1-CD1 4.16Å; I631-L721 WeakPolarHBondContact CG1-O 3.36Å; I631-L721 PolarHBondContact N-O 3.15Å; L645-L721 HydrophobicContact CD1-CD1 4.45Å; L721-H795 HydrophobicContact CD2-CB 3.75Å; L721-I813 HydrophobicContact CD1-CG2 3.98Å; L721-F816 HydrophobicContact CD2-CD1 3.73Å; L721-F816 HydrophobicContact CD2-CE1 3.5Å
722	A	98.6	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.1	174.1	0	0	0	0	0	110.3	I631 G632 F702 L782 H795 I796 V797	I631-A722 HydrophobicContact CD1-CB 4.27Å; I631-A722 HydrophobicContact CG1-CB 4.16Å; G632-A722 CarbonylContact O-C 3.09Å; G632-A722 WeakPolarHBondContact O-CA 3.23Å; F702-A722 HydrophobicContact CD2-CB 4.24Å; F702-A722 HydrophobicContact CE2-CB 4.11Å; A722-L782 HydrophobicContact CB-CD2 4.16Å; A722-H795 PolarHBondContact N-O 3.37Å; A722-I796 HydrophobicContact CB-CD1 4.1Å; A722-V797 PolarHBondContact O-N 3.19Å
723	V	98.6	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	-176.4	-172	0	0	0	0	109.8	G632 P633 T636 T638 L641 V797 L802	G632-V723 PolarHBondContact O-N 3.47Å; P633-V723 VanDerWaalsContact CD-O 3.32Å; P633-V723 WeakPolarHBondContact CD-O 3.37Å; T636-V723 WeakPolarHBondContact CB-O 3.49Å; T636-V723 WeakPolarHBondContact CG2-O 3.42Å; T636-V723 VanDerWaalsContact O-CG1 3.26Å; T636-V723 WeakPolarHBondContact O-CG1 3.33Å; T636-V723 PolarHBondContact OG1-O 3.28Å; T638-V723 HydrophobicContact CG2-CB 4.39Å; T638-V723 HydrophobicContact CG2-CG2 4.2Å; L641-V723 HydrophobicContact CD2-CG2 3.53Å; V723-V797 WeakPolarHBondContact CA-O 3.4Å; V723-V797 HydrophobicContact CB-CB 4.3Å; V723-V797 HydrophobicContact CG1-CB 4.32Å; V723-V797 HydrophobicContact CG1-CG1 4.09Å; V723-V797 HydrophobicContact CG2-CB 3.98Å; V723-V797 HydrophobicContact CG2-CG1 4.2Å; V723-V797 HydrophobicContact CG2-CG2 4.43Å; V723-L802 HydrophobicContact CG1-CD2 4.18Å
724	L	98.5	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.6	-175.2	-52.1	-175	0	0	0	111.5	P633 F702 Y778 L782 I796 V797 G799 L880 W894	P633-L724 HydrophobicContact CG-CD2 4.23Å; F702-L724 HydrophobicContact CE2-CD2 4.25Å; F702-L724 HydrophobicContact CZ-CD2 4.11Å; L724-Y778 HydrophobicContact CB-CD2 4.42Å; L724-Y778 HydrophobicContact CB-CE2 4.25Å; L724-Y778 HydrophobicContact CD1-CD2 4.1Å; L724-Y778 HydrophobicContact CD1-CG 4.29Å; L724-Y778 HydrophobicContact CD2-CD1 3.93Å; L724-Y778 HydrophobicContact CD2-CD2 4.11Å; L724-Y778 HydrophobicContact CD2-CE1 4.15Å; L724-Y778 HydrophobicContact CD2-CE2 4.33Å; L724-Y778 HydrophobicContact CD2-CG 3.91Å; L724-Y778 HydrophobicContact CG-CD2 4.45Å; L724-L782 HydrophobicContact CD1-CD1 4.44Å; L724-I796 HydrophobicContact CD1-CG2 3.64Å; L724-I796 HydrophobicContact CG-CG2 3.97Å; L724-V797 PolarHBondContact N-O 2.92Å; L724-G799 WeakPolarHBondContact O-CA 3.43Å; L724-G799 PolarHBondContact O-N 3.47Å; L724-L880 HydrophobicContact CD1-CD1 4.43Å; L724-L880 HydrophobicContact CD1-CD2 4.25Å; L724-W894 HydrophobicContact CB-CZ2 4.24Å; L724-W894 PolarHBondContact O-NE1 2.74Å
725	I	97.9	Very high	97.9	Very high	28 Å²	28	23.1 Å²	23.1	14%	0.144	11%	0.106	C	C	.	.			trans	-122.4	178	167.5	64.7	173.6	0	0	0	108.5	T636 R730 Y778 W894	T636-I725 HydrophobicContact CG2-CD1 4.48Å; T636-I725 HydrophobicContact CG2-CG1 3.97Å; I725-R730 HydrophobicContact CD1-CB 3.96Å; I725-R730 HydrophobicContact CG1-CB 3.82Å; I725-Y778 VanDerWaalsContact O-CE2 3.28Å; I725-Y778 WeakPolarHBondContact O-CE2 3.2Å; I725-Y778 PolarHBondContact O-OH 2.74Å; I725-Y778 VanDerWaalsContact O-OH 3.05Å; I725-W894 WeakPolarHBondContact O-CZ2 3.45Å
726	N	97.7	Very high	97.9	Very high	11 Å²	11	23.4 Å²	23.4	6%	0.059	11%	0.107	C	C	.	.			trans	-52.8	125.1	172.9	-175.2	-56.3	0	0	0	110.5	S728 D729 R730 W894 E898	N726-S728 PolarHBondContact O-N 3.26Å; N726-S728 WeakPolarHBondContact OD1-CB 3.14Å; N726-S728 PolarHBondContact OD1-N 3.39Å; N726-S728 PolarHBondContact OD1-OG 3.22Å; N726-D729 HydrophobicContact CB-CB 4.39Å; N726-D729 WeakPolarHBondContact CB-OD2 3.34Å; N726-D729 PolarHBondContact O-N 2.88Å; N726-D729 VanDerWaalsContact O-N 3.1Å; N726-R730 PolarHBondContact O-N 3.26Å; N726-W894 HydrophobicContact CB-CB 4.39Å; N726-W894 HydrophobicContact CB-CD2 4.23Å; N726-W894 HydrophobicContact CB-CE3 3.96Å; N726-W894 HydrophobicContact CB-CG 4.44Å; N726-E898 PolarHBondContact ND2-OE2 2.67Å
727	P	97.9	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-26.8	-172.1	26.5	-36	0	0	0	112.6	R730 A731 Y778 Y873 W894	P727-R730 PolarHBondContact O-N 3.47Å; P727-A731 WeakPolarHBondContact O-CB 3.41Å; P727-A731 PolarHBondContact O-N 3.01Å; P727-Y778 HydrophobicContact CB-CE2 4.02Å; P727-Y778 HydrophobicContact CG-CE2 4.49Å; P727-Y873 HydrophobicContact CB-CD1 4.03Å; P727-Y873 HydrophobicContact CB-CD2 3.75Å; P727-Y873 HydrophobicContact CB-CE1 3.99Å; P727-Y873 HydrophobicContact CB-CE2 3.69Å; P727-Y873 HydrophobicContact CB-CG 3.91Å; P727-Y873 HydrophobicContact CG-CD1 4.17Å; P727-Y873 HydrophobicContact CG-CD2 3.69Å; P727-Y873 HydrophobicContact CG-CE2 4.16Å; P727-Y873 HydrophobicContact CG-CG 3.68Å; P727-W894 HydrophobicContact CG-CZ3 4.41Å
728	S	97.8	Very high	98	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-47.5	173.6	-51.7	0	0	0	0	111.4	N726 R730 A731 Y732 L869	N726-S728 PolarHBondContact O-N 3.26Å; N726-S728 WeakPolarHBondContact OD1-CB 3.14Å; N726-S728 PolarHBondContact OD1-N 3.39Å; N726-S728 PolarHBondContact OD1-OG 3.22Å; S728-R730 VanDerWaalsContact C-N 3.33Å; S728-R730 PolarHBondContact O-N 3.39Å; S728-A731 PolarHBondContact O-N 3.25Å; S728-Y732 PolarHBondContact O-N 3.2Å; S728-L869 VanDerWaalsContact OG-CB 3.25Å; S728-L869 WeakPolarHBondContact OG-CB 3.42Å
729	D	97.5	Very high	98	Very high	58 Å²	58	19.7 Å²	19.7	31%	0.31	9%	0.09	S	C	.	.	H	α-helix	trans	-68.4	-34.6	177.7	-61.5	-36.2	0	0	0	111.5	N726 Y732 S733 R866	N726-D729 HydrophobicContact CB-CB 4.39Å; N726-D729 WeakPolarHBondContact CB-OD2 3.34Å; N726-D729 PolarHBondContact O-N 2.88Å; N726-D729 VanDerWaalsContact O-N 3.1Å; D729-Y732 PolarHBondContact O-N 3.36Å; D729-S733 VanDerWaalsContact O-CB 3.25Å; D729-S733 WeakPolarHBondContact O-CB 3.32Å; D729-S733 PolarHBondContact O-N 3.49Å; D729-R866 IonicContact OD1-CZ 3.65Å; D729-R866 IonicContact OD1-NH1 3.82Å; D729-R866 PolarHBondContact OD1-NH1 3.36Å; D729-R866 IonicContact OD1-NH2 3.64Å; D729-R866 PolarHBondContact OD1-NH2 3.46Å; D729-R866 IonicContact OD2-NH1 3.65Å
730	R	98	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-47.4	172.9	-177.8	-98.2	164.6	-150.2	-6.6	111.5	Q634 K635 T636 I725 N726 P727 S728 S733 W734 R771 C772 P775	Q634-R730 PolarHBondContact O-NE 2.58Å; K635-R730 HydrophobicContact CB-CG 4.47Å; T636-R730 HydrophobicContact CG2-CG 3.98Å; I725-R730 HydrophobicContact CD1-CB 3.96Å; I725-R730 HydrophobicContact CG1-CB 3.82Å; N726-R730 PolarHBondContact O-N 3.26Å; P727-R730 PolarHBondContact O-N 3.47Å; S728-R730 VanDerWaalsContact C-N 3.33Å; S728-R730 PolarHBondContact O-N 3.39Å; R730-S733 PolarHBondContact O-N 2.78Å; R730-W734 PolarHBondContact O-N 2.68Å; R730-R771 PolarHBondContact NH1-O 3.27Å; R730-C772 PolarHBondContact NH1-O 2.84Å; R730-P775 VanDerWaalsContact CZ-CB 3.47Å; R730-P775 VanDerWaalsContact NH2-CB 3.35Å
731	A	98.4	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-45.6	177.2	0	0	0	0	0	111.3	P727 S728 S733 W734 Y735 F751 C772	P727-A731 WeakPolarHBondContact O-CB 3.41Å; P727-A731 PolarHBondContact O-N 3.01Å; S728-A731 PolarHBondContact O-N 3.25Å; A731-S733 PolarHBondContact O-N 3.3Å; A731-W734 WeakPolarHBondContact O-CB 3.2Å; A731-W734 PolarHBondContact O-N 3.47Å; A731-Y735 PolarHBondContact O-N 2.92Å; A731-F751 HydrophobicContact CB-CZ 4.13Å; A731-C772 HydrophobicContact CB-CB 4.25Å; A731-C772 VanDerWaalsContact CB-O 3.24Å; A731-C772 WeakPolarHBondContact CB-O 3.48Å
732	Y	98.3	Very high	97.5	Very high	20 Å²	20	30.6 Å²	30.6	8%	0.078	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-41.7	177.7	-173.2	-127.7	0	0	0	112.5	S728 D729 W734 Y735 Q736 F751 Y858 P859 M861	S728-Y732 PolarHBondContact O-N 3.2Å; D729-Y732 PolarHBondContact O-N 3.36Å; Y732-W734 VanDerWaalsContact C-N 3.26Å; Y732-W734 PolarHBondContact O-N 3.02Å; Y732-Y735 HydrophobicContact CD2-CD1 4.17Å; Y732-Y735 HydrophobicContact CE2-CD1 4.1Å; Y732-Y735 HydrophobicContact CE2-CE1 4.45Å; Y732-Y735 PolarHBondContact O-N 3.31Å; Y732-Q736 HydrophobicContact CD2-CG 4.37Å; Y732-Q736 HydrophobicContact CE1-CG 4.27Å; Y732-Q736 HydrophobicContact CE2-CG 4.09Å; Y732-Q736 VanDerWaalsContact CZ-NE2 3.26Å; Y732-Q736 WeakPolarHBondContact O-CG 3.5Å; Y732-Q736 PolarHBondContact O-N 3.22Å; Y732-Q736 PolarHBondContact OH-NE2 3.27Å; Y732-F751 HydrophobicContact CD2-CB 4.12Å; Y732-F751 AromaticContact CD2-CD1 3.51Å; Y732-F751 HydrophobicContact CD2-CD1 3.51Å; Y732-F751 AromaticContact CD2-CD2 3.94Å; Y732-F751 HydrophobicContact CD2-CD2 3.94Å; Y732-F751 AromaticContact CD2-CE1 3.79Å; Y732-F751 HydrophobicContact CD2-CE1 3.79Å; Y732-F751 HydrophobicContact CD2-CE2 4.19Å; Y732-F751 AromaticContact CD2-CG 3.57Å; Y732-F751 HydrophobicContact CD2-CG 3.57Å; Y732-F751 HydrophobicContact CD2-CZ 4.11Å; Y732-F751 HydrophobicContact CE2-CB 4.04Å; Y732-F751 HydrophobicContact CE2-CD1 4.09Å; Y732-F751 HydrophobicContact CE2-CG 4.01Å; Y732-F751 HydrophobicContact CG-CD1 4.4Å; Y732-F751 HydrophobicContact CG-CE1 4.28Å; Y732-F751 HydrophobicContact CG-CZ 4.5Å; Y732-Y858 HydrophobicContact CD1-CD2 4.33Å; Y732-Y858 AromaticContact CD1-CE2 3.87Å; Y732-Y858 HydrophobicContact CD1-CE2 3.87Å; Y732-Y858 AromaticContact CE1-CD2 3.68Å; Y732-Y858 HydrophobicContact CE1-CD2 3.68Å; Y732-Y858 AromaticContact CE1-CE2 3.67Å; Y732-Y858 HydrophobicContact CE1-CE2 3.67Å; Y732-P859 VanDerWaalsContact CE1-O 3.28Å; Y732-P859 WeakPolarHBondContact CE1-O 3.44Å; Y732-P859 PolarHBondContact OH-O 3.19Å; Y732-M861 HydrophobicContact CD1-CB 3.88Å; Y732-M861 HydrophobicContact CD2-CB 4.43Å; Y732-M861 HydrophobicContact CE1-CB 3.9Å; Y732-M861 HydrophobicContact CE2-CB 4.47Å; Y732-M861 HydrophobicContact CG-CB 4.15Å; Y732-M861 HydrophobicContact CG-CG 4.48Å; Y732-M861 HydrophobicContact CG-SD 4.34Å
733	S	97.6	Very high	97.4	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.119	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-33.1	175.5	-167.7	0	0	0	0	112.6	K635 D729 R730 A731 H737	K635-S733 WeakPolarHBondContact CE-O 3.28Å; K635-S733 VanDerWaalsContact CE-OG 3.22Å; K635-S733 WeakPolarHBondContact CE-OG 3.24Å; D729-S733 VanDerWaalsContact O-CB 3.25Å; D729-S733 WeakPolarHBondContact O-CB 3.32Å; D729-S733 PolarHBondContact O-N 3.49Å; R730-S733 PolarHBondContact O-N 2.78Å; A731-S733 PolarHBondContact O-N 3.3Å; S733-H737 VanDerWaalsContact O-CB 3.32Å; S733-H737 WeakPolarHBondContact O-CB 3.18Å; S733-H737 PolarHBondContact O-N 2.88Å
734	W	97.9	Very high	97.3	Very high	21 Å²	21	36.7 Å²	36.7	8%	0.08	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-47.2	172.8	180	-100.1	0	0	0	111.6	Q634 K635 R730 A731 Y732 Q736 H737 Q738 R771	Q634-W734 HydrophobicContact CB-CE3 4.28Å; Q634-W734 HydrophobicContact CB-CZ3 4.27Å; Q634-W734 VanDerWaalsContact CD-CZ3 3.44Å; Q634-W734 HydrophobicContact CG-CZ3 4.43Å; K635-W734 HydrophobicContact CD-CE3 4Å; K635-W734 HydrophobicContact CG-CB 4.02Å; K635-W734 HydrophobicContact CG-CE3 3.89Å; R730-W734 PolarHBondContact O-N 2.68Å; A731-W734 WeakPolarHBondContact O-CB 3.2Å; A731-W734 PolarHBondContact O-N 3.47Å; Y732-W734 VanDerWaalsContact C-N 3.26Å; Y732-W734 PolarHBondContact O-N 3.02Å; W734-Q736 VanDerWaalsContact C-N 3.35Å; W734-Q736 PolarHBondContact O-N 3.15Å; W734-H737 WeakPolarHBondContact O-CA 3.34Å; W734-H737 VanDerWaalsContact O-CB 3.24Å; W734-H737 WeakPolarHBondContact O-CB 3.29Å; W734-H737 PolarHBondContact O-N 2.67Å; W734-H737 VanDerWaalsContact O-N 3.07Å; W734-Q738 HydrophobicContact CZ2-CG 4.26Å; W734-Q738 PolarHBondContact O-N 2.94Å; W734-R771 HydrophobicContact CZ2-CB 4.31Å; W734-R771 VanDerWaalsContact NE1-CB 3.35Å
735	Y	98.2	Very high	97.1	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-55.8	-48.1	174.6	167.4	-101.9	0	0	0	112.3	A731 Y732 H737 Q738 R739 A746 N749 F751 V754 L768	A731-Y735 PolarHBondContact O-N 2.92Å; Y732-Y735 HydrophobicContact CD2-CD1 4.17Å; Y732-Y735 HydrophobicContact CE2-CD1 4.1Å; Y732-Y735 HydrophobicContact CE2-CE1 4.45Å; Y732-Y735 PolarHBondContact O-N 3.31Å; Y735-H737 PolarHBondContact O-N 2.59Å; Y735-Q738 PolarHBondContact O-N 3.3Å; Y735-Q738 VanDerWaalsContact O-N 3.11Å; Y735-R739 VanDerWaalsContact CE1-CD 3.48Å; Y735-R739 HydrophobicContact CE1-CG 4.28Å; Y735-R739 HydrophobicContact CE2-CG 4.3Å; Y735-R739 VanDerWaalsContact CZ-CD 3.46Å; Y735-R739 PolarHBondContact O-N 3.3Å; Y735-A746 HydrophobicContact CD2-CB 4.16Å; Y735-A746 HydrophobicContact CE2-CB 4.1Å; Y735-A746 WeakPolarHBondContact CE2-O 3.31Å; Y735-A746 PolarHBondContact OH-O 3.3Å; Y735-N749 PolarHBondContact OH-O 3.32Å; Y735-F751 VanDerWaalsContact CB-CD2 3.48Å; Y735-F751 HydrophobicContact CD1-CB 3.8Å; Y735-F751 AromaticContact CD1-CD2 3.72Å; Y735-F751 HydrophobicContact CD1-CD2 3.72Å; Y735-F751 HydrophobicContact CD1-CG 4.07Å; Y735-F751 HydrophobicContact CD2-CD2 4.02Å; Y735-F751 HydrophobicContact CE1-CB 3.68Å; Y735-F751 HydrophobicContact CE1-CD2 4.42Å; Y735-F751 HydrophobicContact CE1-CG 4.45Å; Y735-F751 HydrophobicContact CG-CB 4.27Å; Y735-F751 AromaticContact CG-CD2 3.47Å; Y735-F751 HydrophobicContact CG-CD2 3.47Å; Y735-F751 VanDerWaalsContact CG-CD2 3.47Å; Y735-F751 HydrophobicContact CG-CE2 4.24Å; Y735-F751 HydrophobicContact CG-CG 4.26Å; Y735-F751 PolarHBondContact OH-N 2.89Å; Y735-V754 HydrophobicContact CD2-CG2 4.12Å; Y735-V754 HydrophobicContact CE2-CG2 3.91Å; Y735-L768 HydrophobicContact CD2-CD2 4.42Å
736	Q	98	Very high	97	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-29.6	177.7	-64.5	-69.2	27.3	0	0	112.7	Y732 W734 A740 Y858	Y732-Q736 HydrophobicContact CD2-CG 4.37Å; Y732-Q736 HydrophobicContact CE1-CG 4.27Å; Y732-Q736 HydrophobicContact CE2-CG 4.09Å; Y732-Q736 VanDerWaalsContact CZ-NE2 3.26Å; Y732-Q736 WeakPolarHBondContact O-CG 3.5Å; Y732-Q736 PolarHBondContact O-N 3.22Å; Y732-Q736 PolarHBondContact OH-NE2 3.27Å; W734-Q736 VanDerWaalsContact C-N 3.35Å; W734-Q736 PolarHBondContact O-N 3.15Å; Q736-A740 WeakPolarHBondContact O-CB 3.17Å; Q736-A740 PolarHBondContact O-N 3.16Å; Q736-A740 VanDerWaalsContact O-N 3.08Å; Q736-Y858 HydrophobicContact CB-CD1 3.87Å; Q736-Y858 HydrophobicContact CB-CE1 4.07Å; Q736-Y858 HydrophobicContact CB-CG 4.11Å; Q736-Y858 HydrophobicContact CG-CD1 4Å; Q736-Y858 HydrophobicContact CG-CD2 3.76Å; Q736-Y858 HydrophobicContact CG-CE1 4.33Å; Q736-Y858 HydrophobicContact CG-CE2 4.08Å; Q736-Y858 HydrophobicContact CG-CG 3.72Å
737	H	96.4	Very high	97	Very high	44 Å²	44	38.5 Å²	38.5	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-45.2	171.4	-179.1	-93.8	0	0	0	111.9	K635 S733 W734 Y735 A740 H741	K635-H737 HydrophobicContact CD-CB 4.22Å; K635-H737 PolarHBondContact NZ-CD2 3.47Å; S733-H737 VanDerWaalsContact O-CB 3.32Å; S733-H737 WeakPolarHBondContact O-CB 3.18Å; S733-H737 PolarHBondContact O-N 2.88Å; W734-H737 WeakPolarHBondContact O-CA 3.34Å; W734-H737 VanDerWaalsContact O-CB 3.24Å; W734-H737 WeakPolarHBondContact O-CB 3.29Å; W734-H737 PolarHBondContact O-N 2.67Å; W734-H737 VanDerWaalsContact O-N 3.07Å; Y735-H737 PolarHBondContact O-N 2.59Å; H737-A740 PolarHBondContact O-N 3.3Å; H737-H741 AromaticContact CD2-CE1 3.61Å; H737-H741 AromaticContact CD2-ND1 3.93Å; H737-H741 AromaticContact CE1-CE1 3.29Å; H737-H741 PolarHBondContact CE1-CE1 3.37Å; H737-H741 AromaticContact CE1-ND1 3.5Å; H737-H741 PolarHBondContact CE1-ND1 2.88Å; H737-H741 AromaticContact CG-ND1 3.99Å; H737-H741 AromaticContact ND1-CE1 3.91Å; H737-H741 AromaticContact ND1-ND1 3.71Å; H737-H741 AromaticContact NE2-CE1 3.1Å; H737-H741 PolarHBondContact NE2-CE1 3.32Å; H737-H741 AromaticContact NE2-ND1 3.68Å; H737-H741 AromaticContact NE2-NE2 3.98Å; H737-H741 PolarHBondContact O-N 3.02Å; H737-H741 PolarHBondContact O-ND1 2.87Å
738	Q	97.5	Very high	96.9	Very high	32 Å²	32	44.8 Å²	44.8	15%	0.15	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-41.8	178.4	-65.4	-51.5	102.1	0	0	111.7	W734 Y735 A740 H741 Q742 D743 A746 L768	W734-Q738 HydrophobicContact CZ2-CG 4.26Å; W734-Q738 PolarHBondContact O-N 2.94Å; Y735-Q738 PolarHBondContact O-N 3.3Å; Y735-Q738 VanDerWaalsContact O-N 3.11Å; Q738-A740 VanDerWaalsContact C-N 3.31Å; Q738-A740 PolarHBondContact O-N 2.99Å; Q738-H741 CarbonylContact O-C 3.41Å; Q738-H741 WeakPolarHBondContact O-CA 3.05Å; Q738-H741 PolarHBondContact O-N 3.37Å; Q738-Q742 PolarHBondContact O-N 2.8Å; Q738-D743 HydrophobicContact CB-CB 3.82Å; Q738-D743 PolarHBondContact NE2-OD2 3.07Å; Q738-D743 VanDerWaalsContact O-CB 3.32Å; Q738-D743 WeakPolarHBondContact O-CB 3.19Å; Q738-D743 PolarHBondContact O-N 3.11Å; Q738-A746 HydrophobicContact CB-CB 3.76Å; Q738-L768 HydrophobicContact CB-CD1 4.12Å; Q738-L768 HydrophobicContact CG-CD1 3.74Å
739	R	96.7	Very high	96.8	Very high	94 Å²	94	47.1 Å²	47.1	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-57.2	-43.6	172	-69.3	-170.7	71.4	-167.7	8.6	112.8	Y735 H741 Q742 A746 L747	Y735-R739 VanDerWaalsContact CE1-CD 3.48Å; Y735-R739 HydrophobicContact CE1-CG 4.28Å; Y735-R739 HydrophobicContact CE2-CG 4.3Å; Y735-R739 VanDerWaalsContact CZ-CD 3.46Å; Y735-R739 PolarHBondContact O-N 3.3Å; R739-H741 PolarHBondContact O-N 3.25Å; R739-Q742 PolarHBondContact O-N 3.32Å; R739-A746 HydrophobicContact CG-CB 3.67Å; R739-A746 WeakPolarHBondContact CG-O 3.47Å; R739-L747 HydrophobicContact CB-CD2 4.28Å; R739-L747 HydrophobicContact CG-CD2 4.43Å
740	A	95.2	Very high	96.7	Very high	48 Å²	48	48.7 Å²	48.7	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-21.6	178.1	0	0	0	0	0	113.4	Q736 H737 Q738 Q742	Q736-A740 WeakPolarHBondContact O-CB 3.17Å; Q736-A740 PolarHBondContact O-N 3.16Å; Q736-A740 VanDerWaalsContact O-N 3.08Å; H737-A740 PolarHBondContact O-N 3.3Å; Q738-A740 VanDerWaalsContact C-N 3.31Å; Q738-A740 PolarHBondContact O-N 2.99Å; A740-Q742 VanDerWaalsContact C-N 3.34Å
741	H	94.9	Very high	96.7	Very high	111 Å²	111	49.2 Å²	49.2	51%	0.514	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	15.3	173.5	-69.1	80.6	0	0	0	112.7	H737 Q738 R739 D743	H737-H741 AromaticContact CD2-CE1 3.61Å; H737-H741 AromaticContact CD2-ND1 3.93Å; H737-H741 AromaticContact CE1-CE1 3.29Å; H737-H741 PolarHBondContact CE1-CE1 3.37Å; H737-H741 AromaticContact CE1-ND1 3.5Å; H737-H741 PolarHBondContact CE1-ND1 2.88Å; H737-H741 AromaticContact CG-ND1 3.99Å; H737-H741 AromaticContact ND1-CE1 3.91Å; H737-H741 AromaticContact ND1-ND1 3.71Å; H737-H741 AromaticContact NE2-CE1 3.1Å; H737-H741 PolarHBondContact NE2-CE1 3.32Å; H737-H741 AromaticContact NE2-ND1 3.68Å; H737-H741 AromaticContact NE2-NE2 3.98Å; H737-H741 PolarHBondContact O-N 3.02Å; H737-H741 PolarHBondContact O-ND1 2.87Å; Q738-H741 CarbonylContact O-C 3.41Å; Q738-H741 WeakPolarHBondContact O-CA 3.05Å; Q738-H741 PolarHBondContact O-N 3.37Å; R739-H741 PolarHBondContact O-N 3.25Å; H741-D743 PolarHBondContact O-N 3.36Å
742	Q	96.6	Very high	96.7	Very high	135 Å²	135	51.2 Å²	51.2	63%	0.631	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	31.3	176.7	-53.5	-66	-34.8	0	0	113.9	Q738 R739 A740 P744 L747	Q738-Q742 PolarHBondContact O-N 2.8Å; R739-Q742 PolarHBondContact O-N 3.32Å; A740-Q742 VanDerWaalsContact C-N 3.34Å; Q742-P744 VanDerWaalsContact O-CD 3.29Å; Q742-P744 WeakPolarHBondContact O-CD 3.3Å; Q742-L747 HydrophobicContact CB-CD1 4.39Å
743	D	96.6	Very high	96.6	Very high	41 Å²	41	52 Å²	52	22%	0.219	28%	0.278	C	S	.	.			trans	-63.8	118.2	174	-175.7	-49.4	0	0	0	110	Q738 H741 A745 A746 L747	Q738-D743 HydrophobicContact CB-CB 3.82Å; Q738-D743 PolarHBondContact NE2-OD2 3.07Å; Q738-D743 VanDerWaalsContact O-CB 3.32Å; Q738-D743 WeakPolarHBondContact O-CB 3.19Å; Q738-D743 PolarHBondContact O-N 3.11Å; H741-D743 PolarHBondContact O-N 3.36Å; D743-A745 VanDerWaalsContact C-N 3.29Å; D743-A745 PolarHBondContact O-N 3.08Å; D743-A745 WeakPolarHBondContact OD1-CB 3.35Å; D743-A745 PolarHBondContact OD1-N 3.03Å; D743-A746 HydrophobicContact CB-CB 4.05Å; D743-A746 PolarHBondContact O-N 3.29Å; D743-A746 VanDerWaalsContact O-N 3.11Å; D743-A746 PolarHBondContact OD1-N 3.08Å; D743-L747 WeakPolarHBondContact O-CG 3.38Å; D743-L747 PolarHBondContact O-N 3.02Å
744	P	95.4	Very high	96.6	Very high	86 Å²	86	51.1 Å²	51.1	56%	0.558	27%	0.272	S	S	*	.	H	α-helix	trans	-60.7	-35.5	-175.4	-25.6	35	0	0	0	113.6	Q742 A746 L747 N748	Q742-P744 VanDerWaalsContact O-CD 3.29Å; Q742-P744 WeakPolarHBondContact O-CD 3.3Å; P744-A746 VanDerWaalsContact C-N 3.31Å; P744-A746 PolarHBondContact O-N 2.98Å; P744-L747 PolarHBondContact O-N 3.36Å; P744-N748 VanDerWaalsContact O-CB 3.26Å; P744-N748 WeakPolarHBondContact O-CB 3Å; P744-N748 PolarHBondContact O-N 3.4Å; P744-N748 PolarHBondContact O-ND2 3.37Å
745	A	94.8	Very high	96.6	Very high	12 Å²	12	50.2 Å²	50.2	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-37.1	179.3	0	0	0	0	0	110.8	D743 N749 A764 L768	D743-A745 VanDerWaalsContact C-N 3.29Å; D743-A745 PolarHBondContact O-N 3.08Å; D743-A745 WeakPolarHBondContact OD1-CB 3.35Å; D743-A745 PolarHBondContact OD1-N 3.03Å; A745-N749 WeakPolarHBondContact O-CB 3.3Å; A745-N749 PolarHBondContact O-N 3.11Å; A745-N749 PolarHBondContact O-ND2 3.47Å; A745-A764 HydrophobicContact CB-CB 4.24Å; A745-L768 HydrophobicContact CB-CB 4.49Å; A745-L768 HydrophobicContact CB-CD2 4.04Å
746	A	96.1	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-77	-31.4	178.2	0	0	0	0	0	113.1	Y735 Q738 R739 D743 P744 N749 L768	Y735-A746 HydrophobicContact CD2-CB 4.16Å; Y735-A746 HydrophobicContact CE2-CB 4.1Å; Y735-A746 WeakPolarHBondContact CE2-O 3.31Å; Y735-A746 PolarHBondContact OH-O 3.3Å; Q738-A746 HydrophobicContact CB-CB 3.76Å; R739-A746 HydrophobicContact CG-CB 3.67Å; R739-A746 WeakPolarHBondContact CG-O 3.47Å; D743-A746 HydrophobicContact CB-CB 4.05Å; D743-A746 PolarHBondContact O-N 3.29Å; D743-A746 VanDerWaalsContact O-N 3.11Å; D743-A746 PolarHBondContact OD1-N 3.08Å; P744-A746 VanDerWaalsContact C-N 3.31Å; P744-A746 PolarHBondContact O-N 2.98Å; A746-N749 VanDerWaalsContact O-O 3.09Å; A746-L768 HydrophobicContact CB-CD2 3.68Å
747	L	96.5	Very high	96.4	Very high	65 Å²	65	52.4 Å²	52.4	34%	0.34	29%	0.285	S	S	.	.	H	α-helix	trans	-74.5	-40.2	177.4	-71	176.2	0	0	0	112.6	R739 Q742 D743 P744	R739-L747 HydrophobicContact CB-CD2 4.28Å; R739-L747 HydrophobicContact CG-CD2 4.43Å; Q742-L747 HydrophobicContact CB-CD1 4.39Å; D743-L747 WeakPolarHBondContact O-CG 3.38Å; D743-L747 PolarHBondContact O-N 3.02Å; P744-L747 PolarHBondContact O-N 3.36Å
748	N	95.9	Very high	96.1	Very high	132 Å²	132	52.8 Å²	52.8	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-83.7	-11.7	-173.8	-66.1	-11.7	0	0	0	113.7	P744	P744-N748 VanDerWaalsContact O-CB 3.26Å; P744-N748 WeakPolarHBondContact O-CB 3Å; P744-N748 PolarHBondContact O-N 3.4Å; P744-N748 PolarHBondContact O-ND2 3.37Å
749	N	96.2	Very high	95.7	Very high	50 Å²	50	56 Å²	56	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-125.4	140.4	-177.8	-60.5	-85.4	0	0	0	110.4	Y735 A745 A746 V754 L765	Y735-N749 PolarHBondContact OH-O 3.32Å; A745-N749 WeakPolarHBondContact O-CB 3.3Å; A745-N749 PolarHBondContact O-N 3.11Å; A745-N749 PolarHBondContact O-ND2 3.47Å; A746-N749 VanDerWaalsContact O-O 3.09Å; N749-V754 HydrophobicContact CB-CG2 3.9Å; N749-L765 HydrophobicContact CB-CD1 3.95Å
750	T	96.4	Very high	95.5	Very high	91 Å²	91	57 Å²	57	56%	0.558	35%	0.35	S	S	*	.			trans	-67.8	158.3	170.5	65.8	0	0	0	0	110.2	H752 A753 V754	T750-H752 VanDerWaalsContact C-N 3.26Å; T750-H752 PolarHBondContact O-N 3.45Å; T750-A753 PolarHBondContact O-N 2.92Å; T750-A753 WeakPolarHBondContact OG1-CB 3.1Å; T750-A753 PolarHBondContact OG1-N 3.47Å; T750-V754 WeakPolarHBondContact O-CG2 3.49Å; T750-V754 PolarHBondContact O-N 3.15Å
751	F	97.9	Very high	95.3	Very high	11 Å²	11	56.3 Å²	56.3	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-40.3	177.9	-177.2	-120.3	0	0	0	112.4	A731 Y732 Y735 A753 V754 V755 M861 L869	A731-F751 HydrophobicContact CB-CZ 4.13Å; Y732-F751 HydrophobicContact CD2-CB 4.12Å; Y732-F751 AromaticContact CD2-CD1 3.51Å; Y732-F751 HydrophobicContact CD2-CD1 3.51Å; Y732-F751 AromaticContact CD2-CD2 3.94Å; Y732-F751 HydrophobicContact CD2-CD2 3.94Å; Y732-F751 AromaticContact CD2-CE1 3.79Å; Y732-F751 HydrophobicContact CD2-CE1 3.79Å; Y732-F751 HydrophobicContact CD2-CE2 4.19Å; Y732-F751 AromaticContact CD2-CG 3.57Å; Y732-F751 HydrophobicContact CD2-CG 3.57Å; Y732-F751 HydrophobicContact CD2-CZ 4.11Å; Y732-F751 HydrophobicContact CE2-CB 4.04Å; Y732-F751 HydrophobicContact CE2-CD1 4.09Å; Y732-F751 HydrophobicContact CE2-CG 4.01Å; Y732-F751 HydrophobicContact CG-CD1 4.4Å; Y732-F751 HydrophobicContact CG-CE1 4.28Å; Y732-F751 HydrophobicContact CG-CZ 4.5Å; Y735-F751 VanDerWaalsContact CB-CD2 3.48Å; Y735-F751 HydrophobicContact CD1-CB 3.8Å; Y735-F751 AromaticContact CD1-CD2 3.72Å; Y735-F751 HydrophobicContact CD1-CD2 3.72Å; Y735-F751 HydrophobicContact CD1-CG 4.07Å; Y735-F751 HydrophobicContact CD2-CD2 4.02Å; Y735-F751 HydrophobicContact CE1-CB 3.68Å; Y735-F751 HydrophobicContact CE1-CD2 4.42Å; Y735-F751 HydrophobicContact CE1-CG 4.45Å; Y735-F751 HydrophobicContact CG-CB 4.27Å; Y735-F751 AromaticContact CG-CD2 3.47Å; Y735-F751 HydrophobicContact CG-CD2 3.47Å; Y735-F751 VanDerWaalsContact CG-CD2 3.47Å; Y735-F751 HydrophobicContact CG-CE2 4.24Å; Y735-F751 HydrophobicContact CG-CG 4.26Å; Y735-F751 PolarHBondContact OH-N 2.89Å; F751-A753 PolarHBondContact O-N 3.27Å; F751-V754 WeakPolarHBondContact O-CB 3.48Å; F751-V754 PolarHBondContact O-N 3.18Å; F751-V755 HydrophobicContact CD2-CG1 4.09Å; F751-V755 HydrophobicContact CE1-CG1 4.04Å; F751-V755 HydrophobicContact CE2-CG1 3.55Å; F751-V755 HydrophobicContact CZ-CG1 3.53Å; F751-V755 PolarHBondContact O-N 3.01Å; F751-M861 HydrophobicContact CD1-CG 4.27Å; F751-M861 HydrophobicContact CD1-SD 4.1Å; F751-M861 HydrophobicContact CE1-CG 4.29Å; F751-M861 HydrophobicContact CE1-SD 3.53Å; F751-M861 VanDerWaalsContact CE1-SD 3.53Å; F751-L869 HydrophobicContact CE1-CD1 3.59Å; F751-L869 HydrophobicContact CZ-CD1 3.72Å
752	H	97.6	Very high	95.2	Very high	42 Å²	42	56.7 Å²	56.7	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-50.5	177.1	-169	69.8	0	0	0	111.1	T750 V754 V755 T756 E864 S865	T750-H752 VanDerWaalsContact C-N 3.26Å; T750-H752 PolarHBondContact O-N 3.45Å; H752-V754 PolarHBondContact O-N 3.21Å; H752-V755 WeakPolarHBondContact O-CG2 3.34Å; H752-V755 PolarHBondContact O-N 3.01Å; H752-V755 VanDerWaalsContact O-N 3.14Å; H752-T756 PolarHBondContact O-N 2.96Å; H752-T756 PolarHBondContact O-OG1 3.13Å; H752-E864 IonicContact CD2-OE2 3.84Å; H752-E864 IonicContact CE1-OE1 2.68Å; H752-E864 IonicContact CG-OE2 3.57Å; H752-E864 IonicContact NE2-OE1 2.81Å; H752-S865 WeakPolarHBondContact CB-OG 3.4Å
753	A	96.3	Very high	95.1	Very high	36 Å²	36	59.8 Å²	59.8	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-32	178.1	0	0	0	0	0	113.2	T750 F751 A757	T750-A753 PolarHBondContact O-N 2.92Å; T750-A753 WeakPolarHBondContact OG1-CB 3.1Å; T750-A753 PolarHBondContact OG1-N 3.47Å; F751-A753 PolarHBondContact O-N 3.27Å; A753-A757 PolarHBondContact O-N 2.99Å
754	V	97.4	Very high	95	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-49.9	174	173.6	0	0	0	0	110.9	Y735 N749 T750 F751 H752 A757 L765 L768 Q769	Y735-V754 HydrophobicContact CD2-CG2 4.12Å; Y735-V754 HydrophobicContact CE2-CG2 3.91Å; N749-V754 HydrophobicContact CB-CG2 3.9Å; T750-V754 WeakPolarHBondContact O-CG2 3.49Å; T750-V754 PolarHBondContact O-N 3.15Å; F751-V754 WeakPolarHBondContact O-CB 3.48Å; F751-V754 PolarHBondContact O-N 3.18Å; H752-V754 PolarHBondContact O-N 3.21Å; V754-A757 WeakPolarHBondContact O-CB 3.4Å; V754-A757 PolarHBondContact O-N 2.96Å; V754-L765 HydrophobicContact CB-CD1 4.17Å; V754-L765 HydrophobicContact CG1-CD1 4.45Å; V754-L765 HydrophobicContact CG2-CD1 3.62Å; V754-L768 HydrophobicContact CG1-CB 4.48Å; V754-L768 HydrophobicContact CG1-CD2 4.08Å; V754-L768 HydrophobicContact CG1-CG 3.89Å; V754-L768 HydrophobicContact CG2-CD2 3.91Å; V754-Q769 HydrophobicContact CG1-CB 4.25Å; V754-Q769 VanDerWaalsContact O-CB 3.26Å; V754-Q769 WeakPolarHBondContact O-CB 3.47Å; V754-Q769 WeakPolarHBondContact O-CG 3.31Å
755	V	97.4	Very high	95	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-74.8	-27	-173.4	-60.6	0	0	0	0	113.1	F751 H752 Q769 L773 F868 L869	F751-V755 HydrophobicContact CD2-CG1 4.09Å; F751-V755 HydrophobicContact CE1-CG1 4.04Å; F751-V755 HydrophobicContact CE2-CG1 3.55Å; F751-V755 HydrophobicContact CZ-CG1 3.53Å; F751-V755 PolarHBondContact O-N 3.01Å; H752-V755 WeakPolarHBondContact O-CG2 3.34Å; H752-V755 PolarHBondContact O-N 3.01Å; H752-V755 VanDerWaalsContact O-N 3.14Å; V755-Q769 PolarHBondContact O-NE2 3.36Å; V755-L773 HydrophobicContact CB-CD2 4.31Å; V755-L773 HydrophobicContact CG1-CD2 4.03Å; V755-F868 HydrophobicContact CB-CD1 4.26Å; V755-F868 HydrophobicContact CB-CE1 4Å; V755-F868 HydrophobicContact CG2-CD1 3.76Å; V755-F868 HydrophobicContact CG2-CE1 3.95Å; V755-L869 HydrophobicContact CB-CD2 4.2Å; V755-L869 HydrophobicContact CG1-CD2 4.18Å
756	T	96.6	Very high	95	Very high	56 Å²	56	58.8 Å²	58.8	34%	0.344	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.4	177.8	61.2	0	0	0	0	114.2	H752 A758 F868	H752-T756 PolarHBondContact O-N 2.96Å; H752-T756 PolarHBondContact O-OG1 3.13Å; T756-A758 PolarHBondContact O-N 2.79Å; T756-F868 HydrophobicContact CG2-CD1 4.13Å; T756-F868 HydrophobicContact CG2-CD2 3.87Å; T756-F868 HydrophobicContact CG2-CE1 4.09Å; T756-F868 HydrophobicContact CG2-CE2 3.82Å; T756-F868 HydrophobicContact CG2-CG 4.02Å; T756-F868 HydrophobicContact CG2-CZ 3.94Å
757	A	94.9	Very high	95	Very high	13 Å²	13	62.5 Å²	62.5	11%	0.107	37%	0.372	C	S	.	.			trans	-54.7	126.1	-179.4	0	0	0	0	0	111.7	A753 V754 L765 L766 Q769	A753-A757 PolarHBondContact O-N 2.99Å; V754-A757 WeakPolarHBondContact O-CB 3.4Å; V754-A757 PolarHBondContact O-N 2.96Å; A757-L765 HydrophobicContact CB-CD2 3.86Å; A757-L765 HydrophobicContact CB-CG 3.97Å; A757-L766 HydrophobicContact CB-CD2 4.33Å; A757-Q769 PolarHBondContact O-NE2 3.38Å
758	A	92	Very high	95.1	Very high	53 Å²	53	59.7 Å²	59.7	44%	0.438	36%	0.357	S	S	.	.			trans	-73.6	156.4	176.8	0	0	0	0	0	111.4	T756 S760 S761 L766	T756-A758 PolarHBondContact O-N 2.79Å; A758-S760 PolarHBondContact O-N 3.16Å; A758-S761 PolarHBondContact N-OG 2.97Å; A758-S761 WeakPolarHBondContact O-CB 3.47Å; A758-S761 PolarHBondContact O-N 2.61Å; A758-S761 PolarHBondContact O-OG 3.14Å; A758-L766 WeakPolarHBondContact O-CD2 3.37Å
759	A	88.8	Confident	95.2	Very high	99 Å²	99	55 Å²	55	82%	0.818	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.8	179.9	0	0	0	0	0	114.6	S761	A759-S761 VanDerWaalsContact C-N 3.29Å
760	S	91.1	Very high	95.2	Very high	115 Å²	115	59 Å²	59	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.2	174.4	53.2	0	0	0	0	114.4	A758	A758-S760 PolarHBondContact O-N 3.16Å
761	S	92.8	Very high	95.2	Very high	34 Å²	34	58.6 Å²	58.6	24%	0.238	33%	0.334	C	S	.	.	S	Bend	trans	-69.8	164.3	-177.7	-56.8	0	0	0	0	112.6	A758 A759 R763 L766	A758-S761 PolarHBondContact N-OG 2.97Å; A758-S761 WeakPolarHBondContact O-CB 3.47Å; A758-S761 PolarHBondContact O-N 2.61Å; A758-S761 PolarHBondContact O-OG 3.14Å; A759-S761 VanDerWaalsContact C-N 3.29Å; S761-R763 PolarHBondContact O-N 2.93Å; S761-L766 WeakPolarHBondContact O-CD1 3.25Å
762	N	92.7	Very high	95.2	Very high	118 Å²	118	58.1 Å²	58.1	63%	0.631	33%	0.332	S	S	*	.			trans	-53.7	135.8	175.3	-177.4	-25.7	0	0	0	111.2	A764 L765 L766	N762-A764 VanDerWaalsContact C-N 3.26Å; N762-A764 PolarHBondContact O-N 2.65Å; N762-A764 PolarHBondContact OD1-N 3.08Å; N762-L765 WeakPolarHBondContact O-CB 3.34Å; N762-L765 PolarHBondContact O-N 3.19Å; N762-L766 PolarHBondContact O-N 3.31Å
763	R	94.1	Very high	95.2	Very high	201 Å²	201	56.5 Å²	56.5	76%	0.758	33%	0.325	S	S	*	.	H	α-helix	trans	-52.3	-38.4	178.8	-173.8	158.4	178	81.6	-2.8	114	S761 L765 L766 V767	S761-R763 PolarHBondContact O-N 2.93Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.12Å; R763-L766 PolarHBondContact O-N 2.87Å; R763-V767 HydrophobicContact CG-CG2 4.43Å; R763-V767 VanDerWaalsContact O-CG2 3.29Å; R763-V767 WeakPolarHBondContact O-CG2 3.44Å; R763-V767 PolarHBondContact O-N 3.44Å
764	A	94.1	Very high	95.2	Very high	53 Å²	53	58.9 Å²	58.9	44%	0.438	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-39.3	177.6	0	0	0	0	0	112.1	A745 N762 L768	A745-A764 HydrophobicContact CB-CB 4.24Å; N762-A764 VanDerWaalsContact C-N 3.26Å; N762-A764 PolarHBondContact O-N 2.65Å; N762-A764 PolarHBondContact OD1-N 3.08Å; A764-L768 PolarHBondContact O-N 2.98Å; A764-L768 VanDerWaalsContact O-N 3.11Å
765	L	95.2	Very high	95.2	Very high	19 Å²	19	58.9 Å²	58.9	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-43.9	176.1	-174.2	61.2	0	0	0	111.2	N749 V754 A757 N762 R763 V767 L768 Q769	N749-L765 HydrophobicContact CB-CD1 3.95Å; V754-L765 HydrophobicContact CB-CD1 4.17Å; V754-L765 HydrophobicContact CG1-CD1 4.45Å; V754-L765 HydrophobicContact CG2-CD1 3.62Å; A757-L765 HydrophobicContact CB-CD2 3.86Å; A757-L765 HydrophobicContact CB-CG 3.97Å; N762-L765 WeakPolarHBondContact O-CB 3.34Å; N762-L765 PolarHBondContact O-N 3.19Å; R763-L765 VanDerWaalsContact C-N 3.32Å; R763-L765 PolarHBondContact O-N 3.12Å; L765-V767 VanDerWaalsContact C-N 3.34Å; L765-V767 PolarHBondContact O-N 3.46Å; L765-L768 PolarHBondContact O-N 3.39Å; L765-Q769 WeakPolarHBondContact O-CB 3.46Å; L765-Q769 PolarHBondContact O-N 2.99Å
766	L	95.6	Very high	95.2	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-37.8	177.1	-68.1	176.9	0	0	0	112.7	A757 A758 S761 N762 R763 K770	A757-L766 HydrophobicContact CB-CD2 4.33Å; A758-L766 WeakPolarHBondContact O-CD2 3.37Å; S761-L766 WeakPolarHBondContact O-CD1 3.25Å; N762-L766 PolarHBondContact O-N 3.31Å; R763-L766 PolarHBondContact O-N 2.87Å; L766-K770 WeakPolarHBondContact O-CB 3.37Å; L766-K770 PolarHBondContact O-N 2.81Å
767	V	96.3	Very high	95.2	Very high	78 Å²	78	56.5 Å²	56.5	47%	0.473	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-45.1	173.7	168.9	0	0	0	0	110.5	R763 L765 K770 R771	R763-V767 HydrophobicContact CG-CG2 4.43Å; R763-V767 VanDerWaalsContact O-CG2 3.29Å; R763-V767 WeakPolarHBondContact O-CG2 3.44Å; R763-V767 PolarHBondContact O-N 3.44Å; L765-V767 VanDerWaalsContact C-N 3.34Å; L765-V767 PolarHBondContact O-N 3.46Å; V767-K770 PolarHBondContact O-N 2.79Å; V767-R771 WeakPolarHBondContact O-CG 3.45Å; V767-R771 PolarHBondContact O-N 3.12Å
768	L	97.1	Very high	95.4	Very high	7 Å²	7	56 Å²	56	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-47.7	177	179.8	61.1	0	0	0	111.6	Y735 Q738 A745 A746 V754 A764 L765 K770 R771 C772	Y735-L768 HydrophobicContact CD2-CD2 4.42Å; Q738-L768 HydrophobicContact CB-CD1 4.12Å; Q738-L768 HydrophobicContact CG-CD1 3.74Å; A745-L768 HydrophobicContact CB-CB 4.49Å; A745-L768 HydrophobicContact CB-CD2 4.04Å; A746-L768 HydrophobicContact CB-CD2 3.68Å; V754-L768 HydrophobicContact CG1-CB 4.48Å; V754-L768 HydrophobicContact CG1-CD2 4.08Å; V754-L768 HydrophobicContact CG1-CG 3.89Å; V754-L768 HydrophobicContact CG2-CD2 3.91Å; A764-L768 PolarHBondContact O-N 2.98Å; A764-L768 VanDerWaalsContact O-N 3.11Å; L765-L768 PolarHBondContact O-N 3.39Å; L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.29Å; L768-R771 PolarHBondContact O-N 2.86Å; L768-R771 VanDerWaalsContact O-N 3.17Å; L768-C772 PolarHBondContact O-N 3.01Å; L768-C772 PolarHBondContact O-SG 3.22Å; L768-C772 VanDerWaalsContact O-SG 3.33Å
769	Q	97.7	Very high	95.7	Very high	34 Å²	34	53.7 Å²	53.7	16%	0.159	29%	0.289	C	S	.	.	H	α-helix	trans	-53.5	-51.3	174.3	-179.3	-171.4	41.6	0	0	110.7	V754 V755 A757 L765 R771 C772 L773	V754-Q769 HydrophobicContact CG1-CB 4.25Å; V754-Q769 VanDerWaalsContact O-CB 3.26Å; V754-Q769 WeakPolarHBondContact O-CB 3.47Å; V754-Q769 WeakPolarHBondContact O-CG 3.31Å; V755-Q769 PolarHBondContact O-NE2 3.36Å; A757-Q769 PolarHBondContact O-NE2 3.38Å; L765-Q769 WeakPolarHBondContact O-CB 3.46Å; L765-Q769 PolarHBondContact O-N 2.99Å; Q769-R771 VanDerWaalsContact C-N 3.31Å; Q769-R771 PolarHBondContact O-N 3.08Å; Q769-C772 WeakPolarHBondContact O-CB 3.24Å; Q769-C772 PolarHBondContact O-N 3.08Å; Q769-C772 VanDerWaalsContact O-N 3.1Å; Q769-L773 HydrophobicContact CG-CD1 3.78Å; Q769-L773 HydrophobicContact CG-CG 4.31Å; Q769-L773 WeakPolarHBondContact O-CG 3.33Å; Q769-L773 PolarHBondContact O-N 3.42Å
770	K	96.4	Very high	96.1	Very high	134 Å²	134	51.6 Å²	51.6	58%	0.583	27%	0.269	S	S	*	.	H	α-helix	trans	-58.2	-42.5	178.9	-172.5	175	-178.1	176.8	0	111.6	L766 V767 L768 L773 Y774	L766-K770 WeakPolarHBondContact O-CB 3.37Å; L766-K770 PolarHBondContact O-N 2.81Å; V767-K770 PolarHBondContact O-N 2.79Å; L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.29Å; K770-L773 PolarHBondContact O-N 3.24Å; K770-Y774 WeakPolarHBondContact O-CB 3.46Å; K770-Y774 PolarHBondContact O-N 2.7Å
771	R	96.9	Very high	96.4	Very high	82 Å²	82	46.1 Å²	46.1	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-69.8	-29.6	177.7	-66.7	-64.1	-62.1	166.3	4.2	113.3	D703 R730 W734 V767 L768 Q769 P775	D703-R771 IonicContact OD2-CZ 3.47Å; D703-R771 IonicContact OD2-NH1 3.97Å; D703-R771 PolarHBondContact OD2-NH1 3.33Å; D703-R771 IonicContact OD2-NH2 3.91Å; R730-R771 PolarHBondContact NH1-O 3.27Å; W734-R771 HydrophobicContact CZ2-CB 4.31Å; W734-R771 VanDerWaalsContact NE1-CB 3.35Å; V767-R771 WeakPolarHBondContact O-CG 3.45Å; V767-R771 PolarHBondContact O-N 3.12Å; L768-R771 PolarHBondContact O-N 2.86Å; L768-R771 VanDerWaalsContact O-N 3.17Å; Q769-R771 VanDerWaalsContact C-N 3.31Å; Q769-R771 PolarHBondContact O-N 3.08Å; R771-P775 WeakPolarHBondContact O-CD 3.13Å
772	C	97.7	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-50	170.9	-70.5	0	0	0	0	111.6	R730 A731 L768 Q769	R730-C772 PolarHBondContact NH1-O 2.84Å; A731-C772 HydrophobicContact CB-CB 4.25Å; A731-C772 VanDerWaalsContact CB-O 3.24Å; A731-C772 WeakPolarHBondContact CB-O 3.48Å; L768-C772 PolarHBondContact O-N 3.01Å; L768-C772 PolarHBondContact O-SG 3.22Å; L768-C772 VanDerWaalsContact O-SG 3.33Å; Q769-C772 WeakPolarHBondContact O-CB 3.24Å; Q769-C772 PolarHBondContact O-N 3.08Å; Q769-C772 VanDerWaalsContact O-N 3.1Å
773	L	97.9	Very high	96.9	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-89.4	-53.4	-167.6	-59.9	-176.7	0	0	0	113.7	V755 Q769 K770 G776 L869 Y872 Y873	V755-L773 HydrophobicContact CB-CD2 4.31Å; V755-L773 HydrophobicContact CG1-CD2 4.03Å; Q769-L773 HydrophobicContact CG-CD1 3.78Å; Q769-L773 HydrophobicContact CG-CG 4.31Å; Q769-L773 WeakPolarHBondContact O-CG 3.33Å; Q769-L773 PolarHBondContact O-N 3.42Å; K770-L773 PolarHBondContact O-N 3.24Å; L773-G776 WeakPolarHBondContact O-CA 3.4Å; L773-G776 PolarHBondContact O-N 3.19Å; L773-L869 HydrophobicContact CD2-CD2 3.44Å; L773-L869 VanDerWaalsContact CD2-CD2 3.44Å; L773-Y872 HydrophobicContact CB-CE1 4.04Å; L773-Y872 HydrophobicContact CD1-CE1 4.24Å; L773-Y872 HydrophobicContact CD1-CE2 4.31Å; L773-Y872 HydrophobicContact CD2-CD1 4.45Å; L773-Y872 HydrophobicContact CD2-CE1 4.27Å; L773-Y872 HydrophobicContact CG-CE1 4.41Å; L773-Y873 VanDerWaalsContact CA-OH 3.32Å; L773-Y873 WeakPolarHBondContact CA-OH 3.35Å; L773-Y873 PolarHBondContact O-OH 2.77Å
774	Y	96.7	Very high	97	Very high	85 Å²	85	34.5 Å²	34.5	33%	0.333	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-54.8	-47.2	-168.5	178.3	-112.4	0	0	0	113.8	K770 G776 A777 H781 R784	K770-Y774 WeakPolarHBondContact O-CB 3.46Å; K770-Y774 PolarHBondContact O-N 2.7Å; Y774-G776 PolarHBondContact O-N 2.91Å; Y774-A777 WeakPolarHBondContact O-CB 3.39Å; Y774-A777 PolarHBondContact O-N 3.44Å; Y774-H781 AromaticContact CE1-CE1 3.56Å; Y774-H781 AromaticContact CE2-CE1 3.99Å; Y774-H781 AromaticContact CZ-CE1 3.54Å; Y774-H781 PolarHBondContact O-NE2 2.85Å; Y774-R784 PolarHBondContact OH-NH1 3.03Å
775	P	97.4	Very high	97.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-69.7	-4.1	-179.9	-14.2	29.4	0	0	0	114.6	D703 R730 R771 Y778	D703-P775 HydrophobicContact CB-CB 4.04Å; D703-P775 HydrophobicContact CB-CG 4.31Å; R730-P775 VanDerWaalsContact CZ-CB 3.47Å; R730-P775 VanDerWaalsContact NH2-CB 3.35Å; R771-P775 WeakPolarHBondContact O-CD 3.13Å; P775-Y778 WeakPolarHBondContact O-CD1 3.44Å; P775-Y778 VanDerWaalsContact O-CE1 3.25Å; P775-Y778 WeakPolarHBondContact O-CE1 3.4Å
776	G	97.6	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-80.6	-13.1	170.1	0	0	0	0	0	114	L773 Y774 Y778	L773-G776 WeakPolarHBondContact O-CA 3.4Å; L773-G776 PolarHBondContact O-N 3.19Å; Y774-G776 PolarHBondContact O-N 2.91Å; G776-Y778 WeakPolarHBondContact O-CD1 3.26Å; G776-Y778 PolarHBondContact O-N 3Å
777	A	97.2	Very high	97.4	Very high	7 Å²	7	37 Å²	37	6%	0.058	18%	0.177	C	C	.	.			trans	-76.4	65.5	175.1	0	0	0	0	0	111.2	Y774 A779 S780 H781	Y774-A777 WeakPolarHBondContact O-CB 3.39Å; Y774-A777 PolarHBondContact O-N 3.44Å; A777-A779 PolarHBondContact O-N 3.32Å; A777-S780 PolarHBondContact O-N 3.27Å; A777-H781 PolarHBondContact O-CD2 3.46Å; A777-H781 PolarHBondContact O-N 3.29Å
778	Y	98.5	Very high	97.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-41.6	-165.8	-60.2	-33.1	0	0	0	114.1	P633 F702 L724 I725 P727 P775 G776 S780 H781 L782 L880 W894	P633-Y778 HydrophobicContact CG-CD1 4.3Å; P633-Y778 HydrophobicContact CG-CE1 3.74Å; F702-Y778 AromaticContact CE1-CD1 3.79Å; F702-Y778 HydrophobicContact CE1-CD1 3.79Å; F702-Y778 HydrophobicContact CE1-CE1 4.46Å; F702-Y778 AromaticContact CZ-CD1 3.82Å; F702-Y778 HydrophobicContact CZ-CD1 3.82Å; F702-Y778 HydrophobicContact CZ-CG 4.41Å; L724-Y778 HydrophobicContact CB-CD2 4.42Å; L724-Y778 HydrophobicContact CB-CE2 4.25Å; L724-Y778 HydrophobicContact CD1-CD2 4.1Å; L724-Y778 HydrophobicContact CD1-CG 4.29Å; L724-Y778 HydrophobicContact CD2-CD1 3.93Å; L724-Y778 HydrophobicContact CD2-CD2 4.11Å; L724-Y778 HydrophobicContact CD2-CE1 4.15Å; L724-Y778 HydrophobicContact CD2-CE2 4.33Å; L724-Y778 HydrophobicContact CD2-CG 3.91Å; L724-Y778 HydrophobicContact CG-CD2 4.45Å; I725-Y778 VanDerWaalsContact O-CE2 3.28Å; I725-Y778 WeakPolarHBondContact O-CE2 3.2Å; I725-Y778 PolarHBondContact O-OH 2.74Å; I725-Y778 VanDerWaalsContact O-OH 3.05Å; P727-Y778 HydrophobicContact CB-CE2 4.02Å; P727-Y778 HydrophobicContact CG-CE2 4.49Å; P775-Y778 WeakPolarHBondContact O-CD1 3.44Å; P775-Y778 VanDerWaalsContact O-CE1 3.25Å; P775-Y778 WeakPolarHBondContact O-CE1 3.4Å; G776-Y778 WeakPolarHBondContact O-CD1 3.26Å; G776-Y778 PolarHBondContact O-N 3Å; Y778-S780 PolarHBondContact O-N 3.16Å; Y778-H781 PolarHBondContact O-N 2.92Å; Y778-L782 WeakPolarHBondContact O-CB 3.26Å; Y778-L782 VanDerWaalsContact O-CG 3.32Å; Y778-L782 WeakPolarHBondContact O-CG 3.43Å; Y778-L782 PolarHBondContact O-N 3.01Å; Y778-L880 HydrophobicContact CD2-CD2 3.89Å; Y778-L880 HydrophobicContact CG-CD2 4.5Å; Y778-W894 HydrophobicContact CD2-CH2 4.15Å; Y778-W894 HydrophobicContact CD2-CZ2 4.1Å; Y778-W894 AromaticContact CE2-CH2 3.97Å; Y778-W894 HydrophobicContact CE2-CH2 3.97Å; Y778-W894 AromaticContact CE2-CZ2 3.83Å; Y778-W894 HydrophobicContact CE2-CZ2 3.83Å
779	A	98	Very high	97.5	Very high	5 Å²	5	38 Å²	38	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-48.9	-177.9	0	0	0	0	0	111.8	A777 H781 L782 E783 E879 L880 L883	A777-A779 PolarHBondContact O-N 3.32Å; A779-H781 VanDerWaalsContact C-N 3.29Å; A779-H781 PolarHBondContact O-N 3.03Å; A779-L782 PolarHBondContact O-N 3.2Å; A779-E783 WeakPolarHBondContact O-CG 3.18Å; A779-E783 PolarHBondContact O-N 3.1Å; A779-E879 HydrophobicContact CB-CB 3.76Å; A779-L880 HydrophobicContact CB-CB 4.26Å; A779-L883 HydrophobicContact CB-CD2 4.27Å
780	S	96.3	Very high	97.5	Very high	55 Å²	55	42.3 Å²	42.3	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-60.2	-39.4	-179.8	-45.4	0	0	0	0	112.2	A777 Y778 R784	A777-S780 PolarHBondContact O-N 3.27Å; Y778-S780 PolarHBondContact O-N 3.16Å; S780-R784 PolarHBondContact O-N 3.43Å
781	H	98.3	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.8	-43.8	177.8	-62.2	-40.8	0	0	0	112.3	F702 Y774 A777 Y778 A779 R784 W785	F702-H781 HydrophobicContact CD1-CB 3.94Å; F702-H781 AromaticContact CD1-CD2 3.96Å; F702-H781 HydrophobicContact CE1-CB 3.54Å; F702-H781 AromaticContact CE1-CD2 3.51Å; F702-H781 AromaticContact CE1-CG 3.82Å; F702-H781 HydrophobicContact CE2-CB 4.34Å; F702-H781 HydrophobicContact CZ-CB 3.76Å; Y774-H781 AromaticContact CE1-CE1 3.56Å; Y774-H781 AromaticContact CE2-CE1 3.99Å; Y774-H781 AromaticContact CZ-CE1 3.54Å; Y774-H781 PolarHBondContact O-NE2 2.85Å; A777-H781 PolarHBondContact O-CD2 3.46Å; A777-H781 PolarHBondContact O-N 3.29Å; Y778-H781 PolarHBondContact O-N 2.92Å; A779-H781 VanDerWaalsContact C-N 3.29Å; A779-H781 PolarHBondContact O-N 3.03Å; H781-R784 PolarHBondContact ND1-NH2 3.45Å; H781-R784 WeakPolarHBondContact O-CB 3.46Å; H781-R784 PolarHBondContact O-N 3.5Å; H781-W785 PolarHBondContact O-N 3.27Å
782	L	98.5	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-39.9	177.5	-70.4	174.1	0	0	0	112.1	F702 A722 L724 Y778 A779 R784 W785 L786 L794 I796 L880 L883	F702-L782 HydrophobicContact CE2-CD2 3.7Å; F702-L782 HydrophobicContact CE2-CG 4.03Å; F702-L782 HydrophobicContact CZ-CD2 4.45Å; F702-L782 HydrophobicContact CZ-CG 4.29Å; A722-L782 HydrophobicContact CB-CD2 4.16Å; L724-L782 HydrophobicContact CD1-CD1 4.44Å; Y778-L782 WeakPolarHBondContact O-CB 3.26Å; Y778-L782 VanDerWaalsContact O-CG 3.32Å; Y778-L782 WeakPolarHBondContact O-CG 3.43Å; Y778-L782 PolarHBondContact O-N 3.01Å; A779-L782 PolarHBondContact O-N 3.2Å; L782-R784 VanDerWaalsContact C-N 3.27Å; L782-R784 PolarHBondContact O-N 2.78Å; L782-W785 WeakPolarHBondContact O-CB 3.39Å; L782-W785 PolarHBondContact O-N 2.87Å; L782-L786 VanDerWaalsContact O-CG 3.32Å; L782-L786 WeakPolarHBondContact O-CG 3.32Å; L782-L786 PolarHBondContact O-N 3.03Å; L782-L794 HydrophobicContact CD2-CD1 4.2Å; L782-L794 HydrophobicContact CD2-CD2 4.03Å; L782-I796 HydrophobicContact CD1-CD1 3.8Å; L782-I796 HydrophobicContact CD2-CD1 3.81Å; L782-I796 HydrophobicContact CG-CD1 4.49Å; L782-L880 HydrophobicContact CD1-CD1 3.86Å; L782-L883 HydrophobicContact CB-CD2 3.73Å; L782-L883 HydrophobicContact CD1-CD2 4.17Å
783	E	97.4	Very high	97.5	Very high	68 Å²	68	40.6 Å²	40.6	32%	0.318	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-39.7	174.2	-74.3	-77.3	-157.6	0	0	111.7	A779 W785 L786 Q787 L883 R886	A779-E783 WeakPolarHBondContact O-CG 3.18Å; A779-E783 PolarHBondContact O-N 3.1Å; E783-W785 VanDerWaalsContact C-N 3.35Å; E783-W785 PolarHBondContact O-N 3.33Å; E783-L786 PolarHBondContact O-N 2.9Å; E783-Q787 PolarHBondContact O-N 3.39Å; E783-Q787 VanDerWaalsContact O-N 3.14Å; E783-L883 HydrophobicContact CG-CD1 4.31Å; E783-L883 HydrophobicContact CG-CD2 4.27Å; E783-R886 IonicContact OE1-CZ 3.41Å; E783-R886 VanDerWaalsContact OE1-CZ 3.23Å; E783-R886 IonicContact OE1-NH1 2.99Å; E783-R886 PolarHBondContact OE1-NH1 3.11Å; E783-R886 IonicContact OE1-NH2 3.36Å; E783-R886 PolarHBondContact OE1-NH2 3Å; E783-R886 IonicContact OE2-CZ 2.65Å; E783-R886 IonicContact OE2-NH2 3.34Å; E783-R886 PolarHBondContact OE2-NH2 3.02Å
784	R	97.3	Very high	97.5	Very high	41 Å²	41	40.4 Å²	40.4	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-38.3	174.5	-66.6	-174.6	-54.7	-174.3	10.1	112.8	D703 S704 Y774 S780 H781 L782 L786 Q787 Y788	D703-R784 PolarHBondContact O-NH2 3.47Å; S704-R784 PolarHBondContact O-NH2 2.86Å; Y774-R784 PolarHBondContact OH-NH1 3.03Å; S780-R784 PolarHBondContact O-N 3.43Å; H781-R784 PolarHBondContact ND1-NH2 3.45Å; H781-R784 WeakPolarHBondContact O-CB 3.46Å; H781-R784 PolarHBondContact O-N 3.5Å; L782-R784 VanDerWaalsContact C-N 3.27Å; L782-R784 PolarHBondContact O-N 2.78Å; R784-L786 VanDerWaalsContact C-N 3.34Å; R784-Q787 WeakPolarHBondContact O-CB 3.35Å; R784-Q787 PolarHBondContact O-N 3.19Å; R784-Y788 WeakPolarHBondContact O-CD2 3.23Å
785	W	98.4	Very high	97.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-37.9	174.5	-80.2	86.4	0	0	0	111.8	I631 Y701 F702 A707 P708 A711 V720 H781 L782 E783 Q787 Y788 Y789	I631-W785 HydrophobicContact CB-CH2 4.29Å; I631-W785 HydrophobicContact CB-CZ2 3.99Å; I631-W785 HydrophobicContact CD1-CD2 3.67Å; I631-W785 VanDerWaalsContact CD1-CE2 3.47Å; I631-W785 HydrophobicContact CD1-CE3 4.28Å; I631-W785 HydrophobicContact CD1-CG 3.96Å; I631-W785 HydrophobicContact CD1-CZ2 3.98Å; I631-W785 HydrophobicContact CG2-CH2 3.47Å; I631-W785 VanDerWaalsContact CG2-CH2 3.47Å; I631-W785 HydrophobicContact CG2-CZ2 3.7Å; I631-W785 HydrophobicContact CG2-CZ3 3.92Å; Y701-W785 WeakPolarHBondContact O-CZ2 3.5Å; F702-W785 PolarHBondContact O-NE1 3.32Å; A707-W785 HydrophobicContact CB-CH2 4.49Å; A707-W785 HydrophobicContact CB-CZ2 4.14Å; P708-W785 HydrophobicContact CB-CD2 4.11Å; P708-W785 HydrophobicContact CB-CE3 4.28Å; P708-W785 HydrophobicContact CB-CG 4.39Å; P708-W785 HydrophobicContact CG-CD2 3.87Å; P708-W785 HydrophobicContact CG-CE3 4.47Å; P708-W785 HydrophobicContact CG-CG 4.02Å; P708-W785 HydrophobicContact CG-CZ2 4.11Å; A711-W785 HydrophobicContact CB-CH2 4.23Å; A711-W785 HydrophobicContact CB-CZ3 4.22Å; V720-W785 HydrophobicContact CG1-CD2 4.49Å; V720-W785 HydrophobicContact CG1-CE3 4Å; V720-W785 HydrophobicContact CG1-CZ3 4.3Å; V720-W785 HydrophobicContact CG2-CE3 4.14Å; V720-W785 HydrophobicContact CG2-CZ3 4.18Å; H781-W785 PolarHBondContact O-N 3.27Å; L782-W785 WeakPolarHBondContact O-CB 3.39Å; L782-W785 PolarHBondContact O-N 2.87Å; E783-W785 VanDerWaalsContact C-N 3.35Å; E783-W785 PolarHBondContact O-N 3.33Å; W785-Q787 PolarHBondContact O-N 3.48Å; W785-Y788 PolarHBondContact O-N 3.44Å; W785-Y788 VanDerWaalsContact O-N 3.09Å; W785-Y789 AromaticContact CE3-CD2 3.81Å; W785-Y789 HydrophobicContact CE3-CD2 3.81Å; W785-Y789 AromaticContact CE3-CE2 3.92Å; W785-Y789 HydrophobicContact CE3-CE2 3.92Å; W785-Y789 HydrophobicContact CZ3-CD2 4.16Å; W785-Y789 AromaticContact CZ3-CE2 3.77Å; W785-Y789 HydrophobicContact CZ3-CE2 3.77Å; W785-Y789 PolarHBondContact O-N 2.99Å
786	L	97.6	Very high	97.6	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-13.8	179.1	-69.1	162.9	0	0	0	114.1	L782 E783 R784 Y788 P791 L794 L883 L887	L782-L786 VanDerWaalsContact O-CG 3.32Å; L782-L786 WeakPolarHBondContact O-CG 3.32Å; L782-L786 PolarHBondContact O-N 3.03Å; E783-L786 PolarHBondContact O-N 2.9Å; R784-L786 VanDerWaalsContact C-N 3.34Å; L786-Y788 PolarHBondContact O-N 2.81Å; L786-P791 HydrophobicContact CD2-CB 4.47Å; L786-P791 HydrophobicContact CD2-CG 4.22Å; L786-L794 HydrophobicContact CD1-CD2 4.39Å; L786-L794 HydrophobicContact CD2-CD2 3.96Å; L786-L794 HydrophobicContact CG-CD2 4.16Å; L786-L883 HydrophobicContact CD1-CD1 3.93Å; L786-L887 HydrophobicContact CD1-CD1 3.74Å; L786-L887 HydrophobicContact CD1-CD2 3.98Å; L786-L887 HydrophobicContact CD1-CG 4.44Å; L786-L887 HydrophobicContact CD2-CD2 4.13Å
787	Q	96.9	Very high	97.6	Very high	136 Å²	136	38.5 Å²	38.5	64%	0.636	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.7	167.9	-68.5	175.6	15.1	0	0	112.6	E783 R784 W785	E783-Q787 PolarHBondContact O-N 3.39Å; E783-Q787 VanDerWaalsContact O-N 3.14Å; R784-Q787 WeakPolarHBondContact O-CB 3.35Å; R784-Q787 PolarHBondContact O-N 3.19Å; W785-Q787 PolarHBondContact O-N 3.48Å
788	Y	98	Very high	97.7	Very high	102 Å²	102	39.2 Å²	39.2	40%	0.4	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-27.7	-173.3	-62.1	-78.2	0	0	0	114	P708 K709 A712 R784 W785 L786	P708-Y788 HydrophobicContact CB-CD2 3.55Å; P708-Y788 HydrophobicContact CB-CE2 4.1Å; P708-Y788 HydrophobicContact CB-CG 4.4Å; K709-Y788 HydrophobicContact CB-CD1 4.44Å; K709-Y788 HydrophobicContact CB-CE1 3.87Å; K709-Y788 HydrophobicContact CB-CE2 4.01Å; K709-Y788 HydrophobicContact CG-CE1 3.9Å; A712-Y788 HydrophobicContact CB-CD1 4.47Å; A712-Y788 HydrophobicContact CB-CG 4.38Å; R784-Y788 WeakPolarHBondContact O-CD2 3.23Å; W785-Y788 PolarHBondContact O-N 3.44Å; W785-Y788 VanDerWaalsContact O-N 3.09Å; L786-Y788 PolarHBondContact O-N 2.81Å
789	Y	97.8	Very high	97.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.016	20%	0.203	C	C	.	.	S	Bend	trans	-111.2	141.8	178.4	-77.4	-88.7	0	0	0	111.1	A711 A712 L715 A718 V720 W785 Q793	A711-Y789 HydrophobicContact CB-CE2 4.34Å; A711-Y789 PolarHBondContact O-OH 2.92Å; A712-Y789 HydrophobicContact CB-CD2 4.42Å; A712-Y789 HydrophobicContact CB-CE2 3.86Å; A712-Y789 PolarHBondContact N-OH 2.97Å; L715-Y789 PolarHBondContact O-OH 3.02Å; A718-Y789 HydrophobicContact CB-CE1 4.45Å; A718-Y789 WeakPolarHBondContact O-CE1 3.15Å; V720-Y789 HydrophobicContact CG2-CD1 3.86Å; V720-Y789 HydrophobicContact CG2-CD2 4.17Å; V720-Y789 HydrophobicContact CG2-CE1 3.97Å; V720-Y789 HydrophobicContact CG2-CE2 4.25Å; V720-Y789 HydrophobicContact CG2-CG 3.96Å; W785-Y789 AromaticContact CE3-CD2 3.81Å; W785-Y789 HydrophobicContact CE3-CD2 3.81Å; W785-Y789 AromaticContact CE3-CE2 3.92Å; W785-Y789 HydrophobicContact CE3-CE2 3.92Å; W785-Y789 HydrophobicContact CZ3-CD2 4.16Å; W785-Y789 AromaticContact CZ3-CE2 3.77Å; W785-Y789 HydrophobicContact CZ3-CE2 3.77Å; W785-Y789 PolarHBondContact O-N 2.99Å; Y789-Q793 HydrophobicContact CD1-CB 4.16Å
790	Q	96.8	Very high	97.5	Very high	124 Å²	124	40.8 Å²	40.8	58%	0.579	22%	0.215	S	C	*	.			trans	-67	148.3	174.9	-63.9	-61.5	-36.1	0	0	110.7	S792 Q793	Q790-S792 PolarHBondContact O-N 2.98Å; Q790-S792 VanDerWaalsContact O-N 3.08Å; Q790-Q793 HydrophobicContact CB-CG 4.37Å; Q790-Q793 WeakPolarHBondContact O-CB 3.48Å; Q790-Q793 PolarHBondContact O-N 3.17Å
791	P	96.4	Very high	97.5	Very high	60 Å²	60	40.4 Å²	40.4	39%	0.39	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-49	-37.1	174.6	-32.3	37.5	0	0	0	114.2	L786 Q793 L794 L887	L786-P791 HydrophobicContact CD2-CB 4.47Å; L786-P791 HydrophobicContact CD2-CG 4.22Å; P791-Q793 PolarHBondContact O-N 3.04Å; P791-L794 PolarHBondContact O-N 2.86Å; P791-L887 HydrophobicContact CB-CD2 3.87Å; P791-L887 HydrophobicContact CG-CD2 3.94Å
792	S	96.5	Very high	97.4	Very high	89 Å²	89	40.7 Å²	40.7	62%	0.622	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-70.4	-13.6	178.9	60.8	0	0	0	0	114.6	Q790 F816	Q790-S792 PolarHBondContact O-N 2.98Å; Q790-S792 VanDerWaalsContact O-N 3.08Å; S792-F816 WeakPolarHBondContact O-CE2 3.3Å
793	Q	97.9	Very high	97.2	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-92.4	-7.6	174.5	-65.6	176	-92.6	0	0	112.5	P716 A718 K719 V720 Y789 Q790 P791 F816	P716-Q793 PolarHBondContact O-NE2 3.03Å; A718-Q793 PolarHBondContact O-NE2 3.12Å; K719-Q793 CarbonylContact C-O 3.57Å; K719-Q793 WeakPolarHBondContact CA-O 3.48Å; V720-Q793 PolarHBondContact N-O 2.91Å; Y789-Q793 HydrophobicContact CD1-CB 4.16Å; Q790-Q793 HydrophobicContact CB-CG 4.37Å; Q790-Q793 WeakPolarHBondContact O-CB 3.48Å; Q790-Q793 PolarHBondContact O-N 3.17Å; P791-Q793 PolarHBondContact O-N 3.04Å; Q793-F816 WeakPolarHBondContact O-CZ 3.43Å
794	L	98.1	Very high	97.1	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	179.9	176.2	66.5	0	0	0	110.6	V720 L782 L786 P791 I796 Q889	V720-L794 HydrophobicContact CB-CD1 4.13Å; V720-L794 HydrophobicContact CG1-CD1 3.8Å; V720-L794 WeakPolarHBondContact O-CA 3.41Å; L782-L794 HydrophobicContact CD2-CD1 4.2Å; L782-L794 HydrophobicContact CD2-CD2 4.03Å; L786-L794 HydrophobicContact CD1-CD2 4.39Å; L786-L794 HydrophobicContact CD2-CD2 3.96Å; L786-L794 HydrophobicContact CG-CD2 4.16Å; P791-L794 PolarHBondContact O-N 2.86Å; L794-I796 HydrophobicContact CD1-CD1 4.24Å; L794-I796 HydrophobicContact CD2-CD1 4.27Å; L794-I796 HydrophobicContact CG-CD1 4.17Å; L794-Q889 PolarHBondContact O-NE2 3.37Å
795	H	97.9	Very high	97.1	Very high	33 Å²	33	50 Å²	50	15%	0.153	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	172.3	-178.3	71.8	0	0	0	111.2	V720 L721 A722 F816	V720-H795 PolarHBondContact O-N 2.7Å; L721-H795 HydrophobicContact CD2-CB 3.75Å; A722-H795 PolarHBondContact N-O 3.37Å; H795-F816 HydrophobicContact CB-CD1 3.65Å; H795-F816 HydrophobicContact CB-CD2 3.82Å; H795-F816 HydrophobicContact CB-CE1 3.49Å; H795-F816 VanDerWaalsContact CB-CE1 3.49Å; H795-F816 HydrophobicContact CB-CE2 3.68Å; H795-F816 HydrophobicContact CB-CG 3.79Å; H795-F816 HydrophobicContact CB-CZ 3.48Å; H795-F816 VanDerWaalsContact CB-CZ 3.48Å
796	I	98.1	Very high	97	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.5	178.6	-54.8	-55.3	0	0	0	108.7	A722 L724 L782 L794 L884 P892	A722-I796 HydrophobicContact CB-CD1 4.1Å; L724-I796 HydrophobicContact CD1-CG2 3.64Å; L724-I796 HydrophobicContact CG-CG2 3.97Å; L782-I796 HydrophobicContact CD1-CD1 3.8Å; L782-I796 HydrophobicContact CD2-CD1 3.81Å; L782-I796 HydrophobicContact CG-CD1 4.49Å; L794-I796 HydrophobicContact CD1-CD1 4.24Å; L794-I796 HydrophobicContact CD2-CD1 4.27Å; L794-I796 HydrophobicContact CG-CD1 4.17Å; I796-L884 HydrophobicContact CG1-CD2 3.78Å; I796-P892 HydrophobicContact CG2-CG 4.27Å
797	V	98.2	Very high	97	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.2	176.5	178.1	0	0	0	0	108.7	L641 A722 V723 L724 G799 V809 I813	L641-V797 HydrophobicContact CD2-CG2 4.33Å; A722-V797 PolarHBondContact O-N 3.19Å; V723-V797 WeakPolarHBondContact CA-O 3.4Å; V723-V797 HydrophobicContact CB-CB 4.3Å; V723-V797 HydrophobicContact CG1-CB 4.32Å; V723-V797 HydrophobicContact CG1-CG1 4.09Å; V723-V797 HydrophobicContact CG2-CB 3.98Å; V723-V797 HydrophobicContact CG2-CG1 4.2Å; V723-V797 HydrophobicContact CG2-CG2 4.43Å; L724-V797 PolarHBondContact N-O 2.92Å; V797-G799 PolarHBondContact O-N 2.56Å; V797-G799 VanDerWaalsContact O-N 3.16Å; V797-V809 HydrophobicContact CG1-CG1 3.53Å; V797-I813 HydrophobicContact CG2-CD1 3.78Å; V797-I813 HydrophobicContact CG2-CG1 4.22Å
798	D	98	Very high	96.9	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.112	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	106.8	169.9	-178.2	-8.5	0	0	0	109.8	A800 L801 L802 P892 S893	D798-A800 VanDerWaalsContact C-N 3.32Å; D798-A800 PolarHBondContact O-N 2.77Å; D798-A800 WeakPolarHBondContact OD1-CA 3.44Å; D798-A800 WeakPolarHBondContact OD1-CB 3.42Å; D798-A800 PolarHBondContact OD1-N 2.96Å; D798-L801 HydrophobicContact CB-CB 3.87Å; D798-L801 PolarHBondContact O-N 3.08Å; D798-L801 PolarHBondContact OD1-N 2.91Å; D798-L802 WeakPolarHBondContact O-CB 3.32Å; D798-L802 PolarHBondContact O-N 3.07Å; D798-P892 HydrophobicContact CB-CB 4.18Å; D798-S893 PolarHBondContact OD1-OG 2.8Å; D798-S893 VanDerWaalsContact OD2-CB 3.22Å; D798-S893 WeakPolarHBondContact OD2-CB 3.33Å; D798-S893 PolarHBondContact OD2-N 3.03Å; D798-S893 PolarHBondContact OD2-OG 3.33Å
799	G	97.1	Very high	96.9	Very high	4 Å²	4	42.3 Å²	42.3	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-71.8	-23.7	-179.2	0	0	0	0	0	113.7	L724 V797 R803	L724-G799 WeakPolarHBondContact O-CA 3.43Å; L724-G799 PolarHBondContact O-N 3.47Å; V797-G799 PolarHBondContact O-N 2.56Å; V797-G799 VanDerWaalsContact O-N 3.16Å; G799-R803 PolarHBondContact O-N 3.35Å; G799-R803 VanDerWaalsContact O-N 3.16Å
800	A	95.3	Very high	96.9	Very high	36 Å²	36	42.1 Å²	42.1	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-70.1	-43.2	172.3	0	0	0	0	0	109.9	D798 R803 S804 W894	D798-A800 VanDerWaalsContact C-N 3.32Å; D798-A800 PolarHBondContact O-N 2.77Å; D798-A800 WeakPolarHBondContact OD1-CA 3.44Å; D798-A800 WeakPolarHBondContact OD1-CB 3.42Å; D798-A800 PolarHBondContact OD1-N 2.96Å; A800-R803 WeakPolarHBondContact O-CB 3.49Å; A800-R803 PolarHBondContact O-N 3.2Å; A800-S804 PolarHBondContact O-N 3.44Å; A800-S804 PolarHBondContact O-OG 3.1Å; A800-S804 VanDerWaalsContact O-OG 3.12Å; A800-W894 HydrophobicContact CB-CB 4.34Å
801	L	96.5	Very high	96.9	Very high	47 Å²	47	39.4 Å²	39.4	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-38.1	173.8	-169.2	63.7	0	0	0	112.3	D798 R803 S804 N805 L808 V809	D798-L801 HydrophobicContact CB-CB 3.87Å; D798-L801 PolarHBondContact O-N 3.08Å; D798-L801 PolarHBondContact OD1-N 2.91Å; L801-R803 PolarHBondContact O-N 2.99Å; L801-S804 PolarHBondContact O-N 3.18Å; L801-S804 PolarHBondContact O-OG 2.58Å; L801-N805 HydrophobicContact CD1-CB 4.01Å; L801-N805 CarbonylContact O-C 3.57Å; L801-N805 WeakPolarHBondContact O-CA 3.5Å; L801-N805 PolarHBondContact O-N 3.05Å; L801-L808 HydrophobicContact CD1-CD2 4.43Å; L801-L808 HydrophobicContact CD2-CD2 3.97Å; L801-L808 HydrophobicContact CD2-CG 4.34Å; L801-V809 HydrophobicContact CB-CG2 3.96Å; L801-V809 HydrophobicContact CD2-CG2 3.87Å; L801-V809 HydrophobicContact CG-CG2 3.74Å
802	L	97.3	Very high	96.9	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-35.2	173.8	178.2	65.1	0	0	0	111.7	L641 F644 V723 D798 P806 V809	L641-L802 HydrophobicContact CB-CD2 4Å; F644-L802 HydrophobicContact CD2-CD1 4.06Å; F644-L802 HydrophobicContact CE2-CD1 4.18Å; V723-L802 HydrophobicContact CG1-CD2 4.18Å; D798-L802 WeakPolarHBondContact O-CB 3.32Å; D798-L802 PolarHBondContact O-N 3.07Å; L802-P806 HydrophobicContact CD1-CB 4.16Å; L802-P806 WeakPolarHBondContact O-CB 3.43Å; L802-V809 HydrophobicContact CB-CG2 4.3Å; L802-V809 HydrophobicContact CD1-CB 4.4Å; L802-V809 HydrophobicContact CD1-CG1 4.08Å
803	R	94.7	Very high	97	Very high	161 Å²	161	33.3 Å²	33.3	61%	0.608	18%	0.179	S	C	*	.	H	α-helix	trans	-74.9	-40.5	177.5	179.9	-179.8	174.5	-171.2	-4.2	112.4	G799 A800 L801 F837 W838	G799-R803 PolarHBondContact O-N 3.35Å; G799-R803 VanDerWaalsContact O-N 3.16Å; A800-R803 WeakPolarHBondContact O-CB 3.49Å; A800-R803 PolarHBondContact O-N 3.2Å; L801-R803 PolarHBondContact O-N 2.99Å; R803-F837 HydrophobicContact CG-CD1 4.13Å; R803-F837 HydrophobicContact CG-CE1 4Å; R803-W838 VanDerWaalsContact O-CD1 3.26Å
804	S	95.3	Very high	96.9	Very high	76 Å²	76	31.9 Å²	31.9	53%	0.531	17%	0.172	S	C	.	.	H	α-helix	trans	-89.3	-41.4	-173.9	59.6	0	0	0	0	113.3	A800 L801 W838	A800-S804 PolarHBondContact O-N 3.44Å; A800-S804 PolarHBondContact O-OG 3.1Å; A800-S804 VanDerWaalsContact O-OG 3.12Å; L801-S804 PolarHBondContact O-N 3.18Å; L801-S804 PolarHBondContact O-OG 2.58Å; S804-W838 PolarHBondContact O-NE1 3.22Å
805	N	95.9	Very high	96.8	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	20%	0.201	S	C	.	.			trans	-142	76.5	-179.5	-172.2	-8	0	0	0	111.1	L801 V807 L808	L801-N805 HydrophobicContact CD1-CB 4.01Å; L801-N805 CarbonylContact O-C 3.57Å; L801-N805 WeakPolarHBondContact O-CA 3.5Å; L801-N805 PolarHBondContact O-N 3.05Å; N805-V807 PolarHBondContact O-N 3.29Å; N805-L808 PolarHBondContact O-N 3.07Å; N805-L808 PolarHBondContact OD1-N 3.23Å
806	P	96.9	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-29	-179	24.3	-33.7	0	0	0	113.2	F644 L802 L808 V809 M810 L829 W838	F644-P806 HydrophobicContact CD2-CB 4Å; F644-P806 HydrophobicContact CE2-CB 3.67Å; F644-P806 HydrophobicContact CE2-CG 4.28Å; L802-P806 HydrophobicContact CD1-CB 4.16Å; L802-P806 WeakPolarHBondContact O-CB 3.43Å; P806-L808 VanDerWaalsContact C-N 3.35Å; P806-L808 PolarHBondContact O-N 2.78Å; P806-V809 PolarHBondContact O-N 2.72Å; P806-M810 VanDerWaalsContact O-CG 3.22Å; P806-M810 WeakPolarHBondContact O-CG 3.25Å; P806-M810 PolarHBondContact O-N 3.18Å; P806-L829 HydrophobicContact CB-CD1 4.03Å; P806-L829 HydrophobicContact CG-CD1 3.94Å; P806-W838 HydrophobicContact CG-CB 3.75Å; P806-W838 HydrophobicContact CG-CD2 3.59Å; P806-W838 HydrophobicContact CG-CE3 4.07Å; P806-W838 HydrophobicContact CG-CG 3.43Å; P806-W838 VanDerWaalsContact CG-CG 3.43Å
807	V	96.8	Very high	96.7	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.085	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-48.2	-178.2	176.4	0	0	0	0	110.9	N805 V809 M810 E811 T826	N805-V807 PolarHBondContact O-N 3.29Å; V807-V809 VanDerWaalsContact C-N 3.31Å; V807-V809 PolarHBondContact O-N 3.21Å; V807-M810 PolarHBondContact O-N 2.82Å; V807-E811 PolarHBondContact O-N 3.05Å; V807-T826 HydrophobicContact CB-CG2 4.5Å; V807-T826 HydrophobicContact CG1-CG2 3.62Å; V807-T826 HydrophobicContact CG2-CG2 4.21Å
808	L	96.4	Very high	96.5	Very high	84 Å²	84	41.5 Å²	41.5	44%	0.44	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-40.4	179.9	-179.2	59.1	0	0	0	112	L801 N805 P806 E811 G812	L801-L808 HydrophobicContact CD1-CD2 4.43Å; L801-L808 HydrophobicContact CD2-CD2 3.97Å; L801-L808 HydrophobicContact CD2-CG 4.34Å; N805-L808 PolarHBondContact O-N 3.07Å; N805-L808 PolarHBondContact OD1-N 3.23Å; P806-L808 VanDerWaalsContact C-N 3.35Å; P806-L808 PolarHBondContact O-N 2.78Å; L808-E811 PolarHBondContact O-N 3.39Å; L808-G812 PolarHBondContact O-N 3.32Å
809	V	97.8	Very high	96.2	Very high	12 Å²	12	40.6 Å²	40.6	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-46.2	175.5	173.5	0	0	0	0	110.9	V797 L801 L802 P806 V807 E811 G812 I813	V797-V809 HydrophobicContact CG1-CG1 3.53Å; L801-V809 HydrophobicContact CB-CG2 3.96Å; L801-V809 HydrophobicContact CD2-CG2 3.87Å; L801-V809 HydrophobicContact CG-CG2 3.74Å; L802-V809 HydrophobicContact CB-CG2 4.3Å; L802-V809 HydrophobicContact CD1-CB 4.4Å; L802-V809 HydrophobicContact CD1-CG1 4.08Å; P806-V809 PolarHBondContact O-N 2.72Å; V807-V809 VanDerWaalsContact C-N 3.31Å; V807-V809 PolarHBondContact O-N 3.21Å; V809-E811 VanDerWaalsContact C-N 3.34Å; V809-E811 PolarHBondContact O-N 2.86Å; V809-G812 PolarHBondContact O-N 3.09Å; V809-I813 HydrophobicContact CG1-CD1 3.84Å; V809-I813 HydrophobicContact CG1-CG1 4.43Å; V809-I813 WeakPolarHBondContact O-CG1 3.49Å; V809-I813 PolarHBondContact O-N 3.18Å
810	M	98.1	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-35.7	-179	-66.3	-52.5	-66.2	0	0	112.3	L641 F644 L645 P806 V807 I813 Q814 Y825	L641-M810 HydrophobicContact CD1-SD 3.67Å; F644-M810 HydrophobicContact CB-CE 3.92Å; F644-M810 HydrophobicContact CB-CG 4.33Å; F644-M810 HydrophobicContact CB-SD 3.85Å; L645-M810 HydrophobicContact CB-CE 4.4Å; L645-M810 HydrophobicContact CD2-CE 3.62Å; L645-M810 HydrophobicContact CG-CE 3.77Å; P806-M810 VanDerWaalsContact O-CG 3.22Å; P806-M810 WeakPolarHBondContact O-CG 3.25Å; P806-M810 PolarHBondContact O-N 3.18Å; V807-M810 PolarHBondContact O-N 2.82Å; M810-I813 PolarHBondContact O-N 3.49Å; M810-I813 HydrophobicContact SD-CD1 4.43Å; M810-Q814 VanDerWaalsContact O-CG 3.25Å; M810-Q814 WeakPolarHBondContact O-CG 3.41Å; M810-Q814 PolarHBondContact O-N 2.93Å; M810-Q814 PolarHBondContact O-NE2 2.83Å; M810-Y825 HydrophobicContact CB-CD1 4.35Å; M810-Y825 HydrophobicContact CB-CD2 3.44Å; M810-Y825 VanDerWaalsContact CB-CD2 3.44Å; M810-Y825 HydrophobicContact CB-CE2 3.62Å; M810-Y825 HydrophobicContact CB-CG 3.83Å; M810-Y825 HydrophobicContact CE-CE1 3.81Å; M810-Y825 HydrophobicContact CE-CE2 3.83Å; M810-Y825 WeakPolarHBondContact CE-OH 3.37Å; M810-Y825 HydrophobicContact CG-CD1 4.22Å; M810-Y825 HydrophobicContact CG-CD2 4.2Å; M810-Y825 HydrophobicContact CG-CE1 4.29Å; M810-Y825 HydrophobicContact CG-CE2 4.25Å; M810-Y825 HydrophobicContact CG-CG 4.17Å
811	E	96.3	Very high	95.5	Very high	67 Å²	67	48.6 Å²	48.6	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-45.3	170.6	-73.9	-176.4	-166.2	0	0	112.6	V807 L808 V809 I813 Q814 R815	V807-E811 PolarHBondContact O-N 3.05Å; L808-E811 PolarHBondContact O-N 3.39Å; V809-E811 VanDerWaalsContact C-N 3.34Å; V809-E811 PolarHBondContact O-N 2.86Å; E811-I813 VanDerWaalsContact C-N 3.33Å; E811-I813 PolarHBondContact O-N 3.49Å; E811-Q814 PolarHBondContact O-N 3.43Å; E811-R815 WeakPolarHBondContact O-CG 3.48Å; E811-R815 PolarHBondContact O-N 3.45Å; E811-R815 IonicContact OE2-CZ 3.22Å; E811-R815 IonicContact OE2-NH2 3.21Å; E811-R815 PolarHBondContact OE2-NH2 3.28Å
812	G	96.4	Very high	95.2	Very high	22 Å²	22	51.4 Å²	51.4	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.3	0	0	0	0	0	112	L808 V809 R815 F816	L808-G812 PolarHBondContact O-N 3.32Å; V809-G812 PolarHBondContact O-N 3.09Å; G812-R815 PolarHBondContact O-N 3.21Å; G812-F816 WeakPolarHBondContact O-CB 3.34Å; G812-F816 PolarHBondContact O-N 3.36Å
813	I	97.7	Very high	95.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-41.8	178.1	-66	172.5	0	0	0	111.2	L641 L645 L721 V797 V809 M810 E811 R815 F816 L817	L641-I813 HydrophobicContact CD1-CD1 3.42Å; L641-I813 VanDerWaalsContact CD1-CD1 3.42Å; L641-I813 HydrophobicContact CD2-CD1 4.24Å; L641-I813 HydrophobicContact CG-CD1 4.46Å; L645-I813 HydrophobicContact CD2-CG2 3.95Å; L721-I813 HydrophobicContact CD1-CG2 3.98Å; V797-I813 HydrophobicContact CG2-CD1 3.78Å; V797-I813 HydrophobicContact CG2-CG1 4.22Å; V809-I813 HydrophobicContact CG1-CD1 3.84Å; V809-I813 HydrophobicContact CG1-CG1 4.43Å; V809-I813 WeakPolarHBondContact O-CG1 3.49Å; V809-I813 PolarHBondContact O-N 3.18Å; M810-I813 PolarHBondContact O-N 3.49Å; M810-I813 HydrophobicContact SD-CD1 4.43Å; E811-I813 VanDerWaalsContact C-N 3.33Å; E811-I813 PolarHBondContact O-N 3.49Å; I813-R815 PolarHBondContact O-N 3.13Å; I813-F816 PolarHBondContact O-N 2.98Å; I813-L817 HydrophobicContact CG2-CD1 3.72Å; I813-L817 HydrophobicContact CG2-CG 4.04Å; I813-L817 WeakPolarHBondContact O-CB 3.49Å; I813-L817 VanDerWaalsContact O-CG 3.31Å; I813-L817 WeakPolarHBondContact O-CG 3.28Å; I813-L817 PolarHBondContact O-N 3.14Å
814	Q	96.7	Very high	95.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-45	176.2	-73.2	179.7	99.6	0	0	112	H648 M810 E811 L817 G818 V819 I822 F823 Y825	H648-Q814 PolarHBondContact CD2-OE1 3.09Å; H648-Q814 VanDerWaalsContact CD2-OE1 3.22Å; H648-Q814 PolarHBondContact NE2-OE1 3.03Å; M810-Q814 VanDerWaalsContact O-CG 3.25Å; M810-Q814 WeakPolarHBondContact O-CG 3.41Å; M810-Q814 PolarHBondContact O-N 2.93Å; M810-Q814 PolarHBondContact O-NE2 2.83Å; E811-Q814 PolarHBondContact O-N 3.43Å; Q814-L817 PolarHBondContact O-N 3.12Å; Q814-G818 PolarHBondContact O-N 2.83Å; Q814-V819 HydrophobicContact CB-CG1 3.78Å; Q814-V819 HydrophobicContact CG-CG1 3.77Å; Q814-V819 PolarHBondContact O-N 3Å; Q814-I822 HydrophobicContact CB-CD1 3.84Å; Q814-F823 PolarHBondContact NE2-O 3.07Å; Q814-F823 VanDerWaalsContact NE2-O 3.12Å; Q814-F823 PolarHBondContact OE1-O 3.32Å; Q814-Y825 HydrophobicContact CG-CE2 4.32Å
815	R	95.9	Very high	95.1	Very high	165 Å²	165	46 Å²	46	62%	0.623	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-43.6	174.9	-67.7	178.2	-164.2	122.1	10.6	111.6	E811 G812 I813 G818	E811-R815 WeakPolarHBondContact O-CG 3.48Å; E811-R815 PolarHBondContact O-N 3.45Å; E811-R815 IonicContact OE2-CZ 3.22Å; E811-R815 IonicContact OE2-NH2 3.21Å; E811-R815 PolarHBondContact OE2-NH2 3.28Å; G812-R815 PolarHBondContact O-N 3.21Å; I813-R815 PolarHBondContact O-N 3.13Å; R815-G818 PolarHBondContact O-N 3.43Å
816	F	96.8	Very high	95	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-43.3	177.8	170.2	-106.5	0	0	0	112.3	K719 L721 S792 Q793 H795 G812 I813 G818	K719-F816 HydrophobicContact CB-CE1 3.63Å; K719-F816 HydrophobicContact CB-CZ 3.85Å; K719-F816 HydrophobicContact CD-CD1 3.98Å; K719-F816 HydrophobicContact CD-CD2 4.26Å; K719-F816 HydrophobicContact CD-CE1 3.46Å; K719-F816 VanDerWaalsContact CD-CE1 3.46Å; K719-F816 HydrophobicContact CD-CE2 3.77Å; K719-F816 HydrophobicContact CD-CG 4.38Å; K719-F816 HydrophobicContact CD-CZ 3.36Å; K719-F816 VanDerWaalsContact CE-O 3.28Å; K719-F816 WeakPolarHBondContact CE-O 3.47Å; K719-F816 HydrophobicContact CG-CE1 4.18Å; K719-F816 HydrophobicContact CG-CZ 4.2Å; K719-F816 PolarHBondContact NZ-O 2.81Å; L721-F816 HydrophobicContact CD2-CD1 3.73Å; L721-F816 HydrophobicContact CD2-CE1 3.5Å; S792-F816 WeakPolarHBondContact O-CE2 3.3Å; Q793-F816 WeakPolarHBondContact O-CZ 3.43Å; H795-F816 HydrophobicContact CB-CD1 3.65Å; H795-F816 HydrophobicContact CB-CD2 3.82Å; H795-F816 HydrophobicContact CB-CE1 3.49Å; H795-F816 VanDerWaalsContact CB-CE1 3.49Å; H795-F816 HydrophobicContact CB-CE2 3.68Å; H795-F816 HydrophobicContact CB-CG 3.79Å; H795-F816 HydrophobicContact CB-CZ 3.48Å; H795-F816 VanDerWaalsContact CB-CZ 3.48Å; G812-F816 WeakPolarHBondContact O-CB 3.34Å; G812-F816 PolarHBondContact O-N 3.36Å; I813-F816 PolarHBondContact O-N 2.98Å; F816-G818 VanDerWaalsContact C-N 3.27Å; F816-G818 PolarHBondContact O-N 3.42Å
817	L	96	Very high	94.8	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-72.7	-21.7	177.8	-66.4	178.4	0	0	0	112.6	F628 L645 I651 K719 I813 Q814 V819	F628-L817 HydrophobicContact CB-CD2 3.91Å; F628-L817 HydrophobicContact CD1-CD1 4.06Å; F628-L817 HydrophobicContact CD1-CD2 3.75Å; F628-L817 HydrophobicContact CD2-CD1 4.5Å; F628-L817 HydrophobicContact CD2-CD2 4.17Å; F628-L817 HydrophobicContact CE1-CD1 3.67Å; F628-L817 HydrophobicContact CE1-CD2 4.25Å; F628-L817 HydrophobicContact CE2-CD1 4.16Å; F628-L817 HydrophobicContact CG-CD1 4.45Å; F628-L817 HydrophobicContact CG-CD2 3.69Å; F628-L817 HydrophobicContact CZ-CD1 3.72Å; L645-L817 HydrophobicContact CD2-CD1 4.48Å; I651-L817 HydrophobicContact CD1-CD1 4.33Å; K719-L817 HydrophobicContact CB-CD2 4.12Å; K719-L817 HydrophobicContact CD-CD2 4.45Å; K719-L817 HydrophobicContact CG-CD2 4.42Å; I813-L817 HydrophobicContact CG2-CD1 3.72Å; I813-L817 HydrophobicContact CG2-CG 4.04Å; I813-L817 WeakPolarHBondContact O-CB 3.49Å; I813-L817 VanDerWaalsContact O-CG 3.31Å; I813-L817 WeakPolarHBondContact O-CG 3.28Å; I813-L817 PolarHBondContact O-N 3.14Å; Q814-L817 PolarHBondContact O-N 3.12Å; L817-V819 VanDerWaalsContact C-N 3.28Å
818	G	94.4	Very high	94.6	Very high	49 Å²	49	52.8 Å²	52.8	51%	0.505	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	31.2	-174.3	0	0	0	0	0	112.2	Q814 R815 F816	Q814-G818 PolarHBondContact O-N 2.83Å; R815-G818 PolarHBondContact O-N 3.43Å; F816-G818 VanDerWaalsContact C-N 3.27Å; F816-G818 PolarHBondContact O-N 3.42Å
819	V	91.6	Very high	94.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.269	C	S	.	.			trans	-75.6	138.8	-178.9	68.6	0	0	0	0	110.6	A650 I651 F693 Q814 L817 I822	A650-V819 HydrophobicContact CB-CG2 4.09Å; I651-V819 HydrophobicContact CD1-CG1 4.47Å; I651-V819 HydrophobicContact CD1-CG2 4.42Å; I651-V819 HydrophobicContact CG1-CG2 4.11Å; F693-V819 HydrophobicContact CD2-CB 4.47Å; F693-V819 HydrophobicContact CD2-CG2 3.94Å; F693-V819 HydrophobicContact CE2-CB 4.39Å; F693-V819 HydrophobicContact CE2-CG2 4.16Å; Q814-V819 HydrophobicContact CB-CG1 3.78Å; Q814-V819 HydrophobicContact CG-CG1 3.77Å; Q814-V819 PolarHBondContact O-N 3Å; L817-V819 VanDerWaalsContact C-N 3.28Å; V819-I822 WeakPolarHBondContact O-CD1 3.44Å
820	T	87.7	Confident	94.3	Very high	112 Å²	112	51.2 Å²	51.2	69%	0.687	28%	0.28	S	S	*	.	S	Bend	trans	-134.5	139.2	177.9	56.5	0	0	0	0	110.5
821	P	89.8	Confident	94	Very high	97 Å²	97	56.2 Å²	56.2	63%	0.63	30%	0.299	S	S	*	.	S	Bend	cis	-72	160.7	-5.4	32.2	-36.1	0	0	0	112.1	H648	H648-P821 PolarHBondContact CE1-O 3.23Å; H648-P821 PolarHBondContact NE2-O 3.48Å
822	I	91.6	Very high	93.8	Very high	105 Å²	105	55.1 Å²	55.1	54%	0.538	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.3	173	-60.5	-66	0	0	0	109.4	Q814 V819	Q814-I822 HydrophobicContact CB-CD1 3.84Å; V819-I822 WeakPolarHBondContact O-CD1 3.44Å
823	F	94.1	Very high	93.4	Very high	56 Å²	56	60.9 Å²	60.9	25%	0.246	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-89	134	175.9	-175.6	-104.6	0	0	0	112.1	L647 H648 Q814 Y825 A828	L647-F823 HydrophobicContact CB-CE1 4.07Å; L647-F823 HydrophobicContact CB-CZ 4.4Å; H648-F823 HydrophobicContact CB-CB 4.44Å; H648-F823 WeakPolarHBondContact CD2-CB 3.33Å; Q814-F823 PolarHBondContact NE2-O 3.07Å; Q814-F823 VanDerWaalsContact NE2-O 3.12Å; Q814-F823 PolarHBondContact OE1-O 3.32Å; F823-Y825 HydrophobicContact CB-CE2 4.31Å; F823-Y825 AromaticContact CD1-CD1 3.84Å; F823-Y825 HydrophobicContact CD1-CD1 3.84Å; F823-Y825 AromaticContact CD1-CD2 3.84Å; F823-Y825 HydrophobicContact CD1-CD2 3.84Å; F823-Y825 AromaticContact CD1-CE1 3.68Å; F823-Y825 HydrophobicContact CD1-CE1 3.68Å; F823-Y825 AromaticContact CD1-CE2 3.7Å; F823-Y825 HydrophobicContact CD1-CE2 3.7Å; F823-Y825 AromaticContact CD1-CG 3.93Å; F823-Y825 HydrophobicContact CD1-CG 3.93Å; F823-Y825 AromaticContact CD1-CZ 3.63Å; F823-Y825 AromaticContact CE1-CD1 3.86Å; F823-Y825 HydrophobicContact CE1-CD1 3.86Å; F823-Y825 AromaticContact CE1-CE1 3.83Å; F823-Y825 HydrophobicContact CE1-CE1 3.83Å; F823-Y825 HydrophobicContact CE1-CG 4.28Å; F823-Y825 HydrophobicContact CG-CE2 4.5Å; F823-Y825 WeakPolarHBondContact O-CD2 3.49Å; F823-Y825 PolarHBondContact O-N 3.34Å; F823-A828 HydrophobicContact CE1-CB 3.53Å; F823-A828 HydrophobicContact CZ-CB 3.62Å
824	N	95.1	Very high	92.9	Very high	72 Å²	72	63.8 Å²	63.8	39%	0.385	35%	0.351	S	S	.	.			trans	-87	97.1	179.6	-173.7	3.3	0	0	0	112	T826 Q827	N824-T826 VanDerWaalsContact C-N 3.28Å; N824-T826 PolarHBondContact ND2-OG1 3.07Å; N824-T826 PolarHBondContact O-N 3.48Å; N824-T826 PolarHBondContact OD1-N 3.32Å; N824-T826 VanDerWaalsContact OD1-N 3.16Å; N824-T826 PolarHBondContact OD1-OG1 3.06Å; N824-Q827 PolarHBondContact ND2-NE2 3.16Å; N824-Q827 PolarHBondContact O-N 3.15Å
825	Y	95.7	Very high	92.5	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-69.4	-16.2	-179.4	-76.6	-80.3	0	0	0	115	F644 L647 M810 Q814 F823 Q827 A828 L829	F644-Y825 HydrophobicContact CB-CE1 4.49Å; F644-Y825 WeakPolarHBondContact O-CE1 3.47Å; F644-Y825 PolarHBondContact O-OH 3.15Å; F644-Y825 VanDerWaalsContact O-OH 3.11Å; L647-Y825 HydrophobicContact CB-CE1 4.17Å; L647-Y825 HydrophobicContact CD1-CE1 4.44Å; M810-Y825 HydrophobicContact CB-CD1 4.35Å; M810-Y825 HydrophobicContact CB-CD2 3.44Å; M810-Y825 VanDerWaalsContact CB-CD2 3.44Å; M810-Y825 HydrophobicContact CB-CE2 3.62Å; M810-Y825 HydrophobicContact CB-CG 3.83Å; M810-Y825 HydrophobicContact CE-CE1 3.81Å; M810-Y825 HydrophobicContact CE-CE2 3.83Å; M810-Y825 WeakPolarHBondContact CE-OH 3.37Å; M810-Y825 HydrophobicContact CG-CD1 4.22Å; M810-Y825 HydrophobicContact CG-CD2 4.2Å; M810-Y825 HydrophobicContact CG-CE1 4.29Å; M810-Y825 HydrophobicContact CG-CE2 4.25Å; M810-Y825 HydrophobicContact CG-CG 4.17Å; Q814-Y825 HydrophobicContact CG-CE2 4.32Å; F823-Y825 HydrophobicContact CB-CE2 4.31Å; F823-Y825 AromaticContact CD1-CD1 3.84Å; F823-Y825 HydrophobicContact CD1-CD1 3.84Å; F823-Y825 AromaticContact CD1-CD2 3.84Å; F823-Y825 HydrophobicContact CD1-CD2 3.84Å; F823-Y825 AromaticContact CD1-CE1 3.68Å; F823-Y825 HydrophobicContact CD1-CE1 3.68Å; F823-Y825 AromaticContact CD1-CE2 3.7Å; F823-Y825 HydrophobicContact CD1-CE2 3.7Å; F823-Y825 AromaticContact CD1-CG 3.93Å; F823-Y825 HydrophobicContact CD1-CG 3.93Å; F823-Y825 AromaticContact CD1-CZ 3.63Å; F823-Y825 AromaticContact CE1-CD1 3.86Å; F823-Y825 HydrophobicContact CE1-CD1 3.86Å; F823-Y825 AromaticContact CE1-CE1 3.83Å; F823-Y825 HydrophobicContact CE1-CE1 3.83Å; F823-Y825 HydrophobicContact CE1-CG 4.28Å; F823-Y825 HydrophobicContact CG-CE2 4.5Å; F823-Y825 WeakPolarHBondContact O-CD2 3.49Å; F823-Y825 PolarHBondContact O-N 3.34Å; Y825-Q827 PolarHBondContact O-N 3.04Å; Y825-A828 PolarHBondContact O-N 2.91Å; Y825-L829 HydrophobicContact CD1-CD1 4.03Å; Y825-L829 HydrophobicContact CD1-CG 4.25Å; Y825-L829 WeakPolarHBondContact O-CB 3.09Å; Y825-L829 PolarHBondContact O-N 2.85Å
826	T	94.1	Very high	92.2	Very high	72 Å²	72	59.1 Å²	59.1	44%	0.442	34%	0.341	S	S	.	.	H	α-helix	trans	-66.5	-26	176.5	65.6	0	0	0	0	112.5	V807 N824 R841	V807-T826 HydrophobicContact CB-CG2 4.5Å; V807-T826 HydrophobicContact CG1-CG2 3.62Å; V807-T826 HydrophobicContact CG2-CG2 4.21Å; N824-T826 VanDerWaalsContact C-N 3.28Å; N824-T826 PolarHBondContact ND2-OG1 3.07Å; N824-T826 PolarHBondContact O-N 3.48Å; N824-T826 PolarHBondContact OD1-N 3.32Å; N824-T826 VanDerWaalsContact OD1-N 3.16Å; N824-T826 PolarHBondContact OD1-OG1 3.06Å; T826-R841 PolarHBondContact O-NH1 3.05Å
827	Q	91.8	Very high	92.1	Very high	136 Å²	136	60.4 Å²	60.4	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-85.5	-26.8	178.2	-64.4	178.3	-3.9	0	0	111.7	N824 Y825 R841	N824-Q827 PolarHBondContact ND2-NE2 3.16Å; N824-Q827 PolarHBondContact O-N 3.15Å; Y825-Q827 PolarHBondContact O-N 3.04Å; Q827-R841 WeakPolarHBondContact O-CD 3.46Å; Q827-R841 PolarHBondContact O-NH1 3.23Å
828	A	92.2	Very high	92	Very high	16 Å²	16	62.8 Å²	62.8	13%	0.132	36%	0.356	C	S	.	.	H	α-helix	trans	-98.1	-16.6	-174.1	0	0	0	0	0	114.7	L647 F823 Y825 R841	L647-A828 HydrophobicContact CD1-CB 4.19Å; F823-A828 HydrophobicContact CE1-CB 3.53Å; F823-A828 HydrophobicContact CZ-CB 3.62Å; Y825-A828 PolarHBondContact O-N 2.91Å; A828-R841 PolarHBondContact O-N 3.33Å
829	L	94.8	Very high	92	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147	-179.2	-60.8	179.6	0	0	0	111.5	F644 L647 P806 Y825 W838 C839	F644-L829 HydrophobicContact CD1-CD1 4.34Å; F644-L829 HydrophobicContact CD1-CD2 3.51Å; F644-L829 HydrophobicContact CD2-CD1 4.37Å; F644-L829 HydrophobicContact CE1-CD2 3.63Å; F644-L829 HydrophobicContact CG-CD1 4.25Å; F644-L829 HydrophobicContact CG-CD2 4.21Å; F644-L829 HydrophobicContact CZ-CD2 4.4Å; L647-L829 HydrophobicContact CD1-CD2 3.64Å; L647-L829 HydrophobicContact CD1-CG 4.46Å; P806-L829 HydrophobicContact CB-CD1 4.03Å; P806-L829 HydrophobicContact CG-CD1 3.94Å; Y825-L829 HydrophobicContact CD1-CD1 4.03Å; Y825-L829 HydrophobicContact CD1-CG 4.25Å; Y825-L829 WeakPolarHBondContact O-CB 3.09Å; Y825-L829 PolarHBondContact O-N 2.85Å; L829-W838 HydrophobicContact CB-CE3 3.94Å; L829-W838 HydrophobicContact CB-CZ3 4.31Å; L829-C839 WeakPolarHBondContact CA-O 3.28Å
830	M	93.4	Very high	92	Very high	61 Å²	61	63.6 Å²	63.6	30%	0.3	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.9	172.1	63.3	-177.8	-71.1	0	0	111.1	W838 C839 R841	M830-W838 WeakPolarHBondContact O-CA 3.45Å; M830-C839 PolarHBondContact N-O 3.37Å; M830-C839 PolarHBondContact O-N 3.4Å; M830-R841 HydrophobicContact CG-CB 4.31Å; M830-R841 HydrophobicContact SD-CB 4.24Å; M830-R841 HydrophobicContact SD-CG 4.11Å
831	Y	92.8	Very high	92.1	Very high	106 Å²	106	63.8 Å²	63.8	42%	0.416	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134.4	171.5	-167	-100.8	0	0	0	110	D833 G836 W838	Y831-D833 WeakPolarHBondContact CD1-OD1 3.38Å; Y831-D833 WeakPolarHBondContact CE1-OD1 3.46Å; Y831-G836 WeakPolarHBondContact OH-CA 3.42Å; Y831-G836 PolarHBondContact OH-O 3.48Å; Y831-G836 VanDerWaalsContact OH-O 3.04Å; Y831-W838 AromaticContact CD2-CD1 3.71Å; Y831-W838 HydrophobicContact CD2-CD2 4.35Å; Y831-W838 HydrophobicContact CD2-CG 4.1Å; Y831-W838 AromaticContact CD2-NE1 3.72Å
832	D	91.1	Very high	91.9	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.2	176.4	-173.5	-72.4	0	0	0	109.5	G834 K835 G836 F837 C839 S847	D832-G834 VanDerWaalsContact C-N 3.28Å; D832-G834 PolarHBondContact O-N 3.32Å; D832-G834 WeakPolarHBondContact OD1-CA 3.48Å; D832-G834 PolarHBondContact OD1-N 3.37Å; D832-G834 VanDerWaalsContact OD1-N 3.11Å; D832-K835 HydrophobicContact CB-CB 4.06Å; D832-K835 PolarHBondContact O-N 2.84Å; D832-K835 PolarHBondContact OD1-N 3.05Å; D832-G836 WeakPolarHBondContact O-CA 3.26Å; D832-G836 PolarHBondContact O-N 2.98Å; D832-F837 PolarHBondContact N-O 3.37Å; D832-F837 VanDerWaalsContact N-O 3.1Å; D832-C839 HydrophobicContact CB-CB 4.49Å; D832-S847 PolarHBondContact OD2-OG 2.81Å
833	D	88.8	Confident	91.1	Very high	143 Å²	143	66.2 Å²	66.2	77%	0.765	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.3	-176.1	-63.5	-45.1	0	0	0	112.7	Y831 G836	Y831-D833 WeakPolarHBondContact CD1-OD1 3.38Å; Y831-D833 WeakPolarHBondContact CE1-OD1 3.46Å; D833-G836 PolarHBondContact O-N 3.26Å
834	G	86.4	Confident	89.8	Confident	61 Å²	61	68.1 Å²	68.1	63%	0.629	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-39.2	178.7	0	0	0	0	0	112.1	D832	D832-G834 VanDerWaalsContact C-N 3.28Å; D832-G834 PolarHBondContact O-N 3.32Å; D832-G834 WeakPolarHBondContact OD1-CA 3.48Å; D832-G834 PolarHBondContact OD1-N 3.37Å; D832-G834 VanDerWaalsContact OD1-N 3.11Å
835	K	88.4	Confident	88.5	Confident	45 Å²	45	67.9 Å²	67.9	20%	0.196	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-35.3	174.2	-175.7	66.8	-171.7	-167.5	0	112.1	D832 F837 C849 L850 G851 K854	D832-K835 HydrophobicContact CB-CB 4.06Å; D832-K835 PolarHBondContact O-N 2.84Å; D832-K835 PolarHBondContact OD1-N 3.05Å; K835-F837 HydrophobicContact CG-CB 4.08Å; K835-F837 HydrophobicContact CG-CD2 4.18Å; K835-F837 WeakPolarHBondContact O-CD2 3.36Å; K835-C849 HydrophobicContact CD-CB 4.25Å; K835-C849 HydrophobicContact CG-CB 4.1Å; K835-L850 PolarHBondContact NZ-O 3.1Å; K835-G851 PolarHBondContact NZ-O 3.39Å; K835-G851 VanDerWaalsContact NZ-O 3.13Å; K835-K854 WeakPolarHBondContact CE-O 3.16Å; K835-K854 PolarHBondContact NZ-O 3.04Å
836	G	90.3	Very high	87.3	Confident	22 Å²	22	79 Å²	79	23%	0.227	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	19.4	-171.5	0	0	0	0	0	114	Y831 D832 D833	Y831-G836 WeakPolarHBondContact OH-CA 3.42Å; Y831-G836 PolarHBondContact OH-O 3.48Å; Y831-G836 VanDerWaalsContact OH-O 3.04Å; D832-G836 WeakPolarHBondContact O-CA 3.26Å; D832-G836 PolarHBondContact O-N 2.98Å; D833-G836 PolarHBondContact O-N 3.26Å
837	F	93.3	Very high	86.7	Confident	57 Å²	57	76.7 Å²	76.7	25%	0.25	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.8	-177.3	-68.4	-88.1	0	0	0	111.1	R803 D832 K835 C839 G855	R803-F837 HydrophobicContact CG-CD1 4.13Å; R803-F837 HydrophobicContact CG-CE1 4Å; D832-F837 PolarHBondContact N-O 3.37Å; D832-F837 VanDerWaalsContact N-O 3.1Å; K835-F837 HydrophobicContact CG-CB 4.08Å; K835-F837 HydrophobicContact CG-CD2 4.18Å; K835-F837 WeakPolarHBondContact O-CD2 3.36Å; F837-C839 PolarHBondContact O-SG 2.9Å; F837-G855 VanDerWaalsContact CE2-CA 3.47Å
838	W	94.4	Very high	86.5	Confident	62 Å²	62	76.8 Å²	76.8	24%	0.235	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.6	170.3	-71.5	86.2	0	0	0	112	F644 R803 S804 P806 L829 M830 Y831	F644-W838 HydrophobicContact CZ-CB 4.18Å; R803-W838 VanDerWaalsContact O-CD1 3.26Å; S804-W838 PolarHBondContact O-NE1 3.22Å; P806-W838 HydrophobicContact CG-CB 3.75Å; P806-W838 HydrophobicContact CG-CD2 3.59Å; P806-W838 HydrophobicContact CG-CE3 4.07Å; P806-W838 HydrophobicContact CG-CG 3.43Å; P806-W838 VanDerWaalsContact CG-CG 3.43Å; L829-W838 HydrophobicContact CB-CE3 3.94Å; L829-W838 HydrophobicContact CB-CZ3 4.31Å; M830-W838 WeakPolarHBondContact O-CA 3.45Å; Y831-W838 AromaticContact CD2-CD1 3.71Å; Y831-W838 HydrophobicContact CD2-CD2 4.35Å; Y831-W838 HydrophobicContact CD2-CG 4.1Å; Y831-W838 AromaticContact CD2-NE1 3.72Å
839	C	93.8	Very high	86.5	Confident	3 Å²	3	78 Å²	78	2%	0.02	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	162.9	-176.1	-57.7	0	0	0	0	110.8	L829 M830 D832 F837 C849	L829-C839 WeakPolarHBondContact CA-O 3.28Å; M830-C839 PolarHBondContact N-O 3.37Å; M830-C839 PolarHBondContact O-N 3.4Å; D832-C839 HydrophobicContact CB-CB 4.49Å; F837-C839 PolarHBondContact O-SG 2.9Å; C839-C849 HydrophobicContact CB-CB 3.93Å; C839-C849 WeakPolarHBondContact CB-SG 3.29Å; C839-C849 WeakPolarHBondContact SG-CA 3.38Å; C839-C849 WeakPolarHBondContact SG-CB 3.29Å; C839-C849 CovalentContact SG-SG 2.03Å; C839-C849 PolarHBondContact SG-SG 3.02Å
840	Q	92.8	Very high	86.3	Confident	63 Å²	63	80.2 Å²	80.2	29%	0.294	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.3	174.5	175.4	-176.1	4.4	0	0	109.8	L647 K848	L647-Q840 HydrophobicContact CD1-CB 4.5Å; L647-Q840 HydrophobicContact CD1-CG 4.28Å; L647-Q840 HydrophobicContact CD2-CB 4.41Å; L647-Q840 HydrophobicContact CD2-CG 3.73Å; L647-Q840 VanDerWaalsContact CD2-NE2 3.32Å; Q840-K848 HydrophobicContact CB-CB 4.23Å; Q840-K848 PolarHBondContact N-O 3.23Å; Q840-K848 PolarHBondContact O-N 3.28Å
841	R	90.4	Very high	86	Confident	116 Å²	116	79.5 Å²	79.5	44%	0.438	44%	0.436	S	S	.	.			trans	-76.5	133.9	170.2	-172.4	174	-71	150.3	-4.2	109.5	T826 Q827 A828 M830	T826-R841 PolarHBondContact O-NH1 3.05Å; Q827-R841 WeakPolarHBondContact O-CD 3.46Å; Q827-R841 PolarHBondContact O-NH1 3.23Å; A828-R841 PolarHBondContact O-N 3.33Å; M830-R841 HydrophobicContact CG-CB 4.31Å; M830-R841 HydrophobicContact SD-CB 4.24Å; M830-R841 HydrophobicContact SD-CG 4.11Å
842	V	84.3	Confident	85.8	Confident	58 Å²	58	83.9 Å²	83.9	35%	0.352	46%	0.458	S	S	.	.			trans	-125.8	130.2	176.3	-175.6	0	0	0	0	107.6	G844 A845 K848	V842-G844 PolarHBondContact O-N 3.42Å; V842-A845 HydrophobicContact CG1-CB 4.29Å; V842-K848 HydrophobicContact CG2-CB 3.81Å
843	E	74.6	Confident	85.5	Confident	195 Å²	195	84.5 Å²	84.5	91%	0.911	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	130.3	178.5	-69.6	-174.2	163.2	0	0	110.8	A845	E843-A845 VanDerWaalsContact C-N 3.32Å; E843-A845 PolarHBondContact O-N 2.87Å
844	G	66.9	Low	85.6	Confident	96 Å²	96	80.6 Å²	80.6	99%	0.99	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	5.6	175.5	0	0	0	0	0	116.8	V842	V842-G844 PolarHBondContact O-N 3.42Å
845	A	68.4	Low	85.5	Confident	67 Å²	67	79.3 Å²	79.3	55%	0.554	43%	0.428	S	S	*	.	S	Bend	trans	-138.7	170.9	-178.2	0	0	0	0	0	113.7	V842 E843	V842-A845 HydrophobicContact CG1-CB 4.29Å; E843-A845 VanDerWaalsContact C-N 3.32Å; E843-A845 PolarHBondContact O-N 2.87Å
846	R	70	Confident	85.5	Confident	237 Å²	237	80.3 Å²	80.3	89%	0.894	43%	0.431	S	S	*	.			trans	-61.9	150.5	168.8	-80.6	-176.6	171.9	173	-2.1	110.6
847	S	81.6	Confident	85.3	Confident	22 Å²	22	88.2 Å²	88.2	15%	0.154	46%	0.459	C	S	.	.			trans	-52.4	141.7	-179.7	75.5	0	0	0	0	112.1	D832 C849	D832-S847 PolarHBondContact OD2-OG 2.81Å; S847-C849 PolarHBondContact O-N 3.5Å; S847-C849 PolarHBondContact OG-SG 3.31Å
848	K	88.2	Confident	85.3	Confident	138 Å²	138	89.6 Å²	89.6	60%	0.6	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-92.1	92.7	175.2	-176.9	176.6	176.5	-173.3	0	109.4	Q840 V842	Q840-K848 HydrophobicContact CB-CB 4.23Å; Q840-K848 PolarHBondContact N-O 3.23Å; Q840-K848 PolarHBondContact O-N 3.28Å; V842-K848 HydrophobicContact CG2-CB 3.81Å
849	C	91.3	Very high	85.2	Confident	43 Å²	43	91.1 Å²	91.1	29%	0.291	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-86.7	159.1	178.8	-65.5	0	0	0	0	113.3	K835 C839 S847	K835-C849 HydrophobicContact CD-CB 4.25Å; K835-C849 HydrophobicContact CG-CB 4.1Å; C839-C849 HydrophobicContact CB-CB 3.93Å; C839-C849 WeakPolarHBondContact CB-SG 3.29Å; C839-C849 WeakPolarHBondContact SG-CA 3.38Å; C839-C849 WeakPolarHBondContact SG-CB 3.29Å; C839-C849 CovalentContact SG-SG 2.03Å; C839-C849 PolarHBondContact SG-SG 3.02Å; S847-C849 PolarHBondContact O-N 3.5Å; S847-C849 PolarHBondContact OG-SG 3.31Å
850	L	90.8	Very high	85.2	Confident	47 Å²	47	98.8 Å²	98.8	25%	0.246	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-61.6	149.5	169	-62.4	177.8	0	0	0	111.6	T639 A640 S643 K835 K854	T639-L850 HydrophobicContact CG2-CD2 4.4Å; A640-L850 HydrophobicContact CB-CD1 3.72Å; S643-L850 WeakPolarHBondContact OG-CD2 3.22Å; K835-L850 PolarHBondContact NZ-O 3.1Å; L850-K854 HydrophobicContact CB-CB 3.83Å; L850-K854 HydrophobicContact CB-CG 4.14Å; L850-K854 HydrophobicContact CD1-CB 4.07Å; L850-K854 HydrophobicContact CD1-CG 4.39Å
851	G	88.1	Confident	85.4	Confident	46 Å²	46	96.4 Å²	96.4	47%	0.474	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-56.9	167.6	-177.3	0	0	0	0	0	115	K835 S853 K854	K835-G851 PolarHBondContact NZ-O 3.39Å; K835-G851 VanDerWaalsContact NZ-O 3.13Å; G851-S853 PolarHBondContact O-N 3.25Å; G851-S853 VanDerWaalsContact O-N 3.07Å; G851-K854 PolarHBondContact O-N 3.32Å
852	K	87.4	Confident	85.7	Confident	198 Å²	198	93.6 Å²	93.6	86%	0.861	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.2	-176.2	-66.4	-176.7	-179.9	179	0	113.8	K854	K852-K854 PolarHBondContact O-N 3.14Å
853	S	85.3	Confident	86.3	Confident	55 Å²	55	95.8 Å²	95.8	39%	0.385	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.1	177.4	65.9	0	0	0	0	114.2	G851 R856	G851-S853 PolarHBondContact O-N 3.25Å; G851-S853 VanDerWaalsContact O-N 3.07Å; S853-R856 PolarHBondContact O-NH1 3.06Å
854	K	90	Very high	87.3	Confident	61 Å²	61	92.2 Å²	92.2	27%	0.265	51%	0.505	S	S	.	.	S	Bend	trans	-113.4	126.6	178.9	-47.9	-64.2	176.4	162.8	0	108.8	T639 E662 K835 L850 G851 K852	T639-K854 HydrophobicContact CG2-CD 4.31Å; T639-K854 PolarHBondContact OG1-NZ 3.44Å; E662-K854 IonicContact OE1-NZ 2.79Å; E662-K854 PolarHBondContact OE1-NZ 3.04Å; K835-K854 WeakPolarHBondContact CE-O 3.16Å; K835-K854 PolarHBondContact NZ-O 3.04Å; L850-K854 HydrophobicContact CB-CB 3.83Å; L850-K854 HydrophobicContact CB-CG 4.14Å; L850-K854 HydrophobicContact CD1-CB 4.07Å; L850-K854 HydrophobicContact CD1-CG 4.39Å; G851-K854 PolarHBondContact O-N 3.32Å; K852-K854 PolarHBondContact O-N 3.14Å
855	G	85.9	Confident	88.8	Confident	35 Å²	35	87.8 Å²	87.8	36%	0.361	46%	0.458	S	S	.	.	S	Bend	trans	70.6	45.8	-171	0	0	0	0	0	113.3	F837	F837-G855 VanDerWaalsContact CE2-CA 3.47Å
856	R	87.4	Confident	90.1	Very high	65 Å²	65	88.4 Å²	88.4	25%	0.245	45%	0.447	C	S	.	.			trans	-60.2	140.5	176.5	-70.4	-175.2	-178.8	79.8	-2.3	109.9	S853 Y858	S853-R856 PolarHBondContact O-NH1 3.06Å; R856-Y858 HydrophobicContact CB-CD1 3.76Å; R856-Y858 HydrophobicContact CB-CE1 3.96Å; R856-Y858 WeakPolarHBondContact O-CD1 3.24Å; R856-Y858 VanDerWaalsContact O-CE1 3.29Å; R856-Y858 WeakPolarHBondContact O-CE1 3.32Å
857	K	87	Confident	91.3	Very high	188 Å²	188	80.3 Å²	80.3	82%	0.817	43%	0.43	S	S	*	.			trans	-85.2	120	168.7	-61.9	-174.5	-179.4	-175.7	0	108
858	Y	91.8	Very high	92.1	Very high	87 Å²	87	82.8 Å²	82.8	34%	0.341	44%	0.438	S	S	.	.			trans	-143.8	160.7	176.1	44.2	-104.4	0	0	0	109	Y732 Q736 R856	Y732-Y858 HydrophobicContact CD1-CD2 4.33Å; Y732-Y858 AromaticContact CD1-CE2 3.87Å; Y732-Y858 HydrophobicContact CD1-CE2 3.87Å; Y732-Y858 AromaticContact CE1-CD2 3.68Å; Y732-Y858 HydrophobicContact CE1-CD2 3.68Å; Y732-Y858 AromaticContact CE1-CE2 3.67Å; Y732-Y858 HydrophobicContact CE1-CE2 3.67Å; Q736-Y858 HydrophobicContact CB-CD1 3.87Å; Q736-Y858 HydrophobicContact CB-CE1 4.07Å; Q736-Y858 HydrophobicContact CB-CG 4.11Å; Q736-Y858 HydrophobicContact CG-CD1 4Å; Q736-Y858 HydrophobicContact CG-CD2 3.76Å; Q736-Y858 HydrophobicContact CG-CE1 4.33Å; Q736-Y858 HydrophobicContact CG-CE2 4.08Å; Q736-Y858 HydrophobicContact CG-CG 3.72Å; R856-Y858 HydrophobicContact CB-CD1 3.76Å; R856-Y858 HydrophobicContact CB-CE1 3.96Å; R856-Y858 WeakPolarHBondContact O-CD1 3.24Å; R856-Y858 VanDerWaalsContact O-CE1 3.29Å; R856-Y858 WeakPolarHBondContact O-CE1 3.32Å
859	P	93.1	Very high	92.5	Very high	93 Å²	93	76.2 Å²	76.2	60%	0.604	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-55.8	148.6	179.6	-24.9	34.6	0	0	0	111.9	Y732	Y732-P859 VanDerWaalsContact CE1-O 3.28Å; Y732-P859 WeakPolarHBondContact CE1-O 3.44Å; Y732-P859 PolarHBondContact OH-O 3.19Å
860	E	94.6	Very high	92.7	Very high	164 Å²	164	76 Å²	76	77%	0.766	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-59.2	149.7	171.6	-71.5	-60.6	147.8	0	0	111.2
861	M	96.6	Very high	92.9	Very high	14 Å²	14	79.4 Å²	79.4	7%	0.069	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-65.5	138.7	176.8	176.5	168.5	49.9	0	0	110.2	Y732 F751 R866 L869	Y732-M861 HydrophobicContact CD1-CB 3.88Å; Y732-M861 HydrophobicContact CD2-CB 4.43Å; Y732-M861 HydrophobicContact CE1-CB 3.9Å; Y732-M861 HydrophobicContact CE2-CB 4.47Å; Y732-M861 HydrophobicContact CG-CB 4.15Å; Y732-M861 HydrophobicContact CG-CG 4.48Å; Y732-M861 HydrophobicContact CG-SD 4.34Å; F751-M861 HydrophobicContact CD1-CG 4.27Å; F751-M861 HydrophobicContact CD1-SD 4.1Å; F751-M861 HydrophobicContact CE1-CG 4.29Å; F751-M861 HydrophobicContact CE1-SD 3.53Å; F751-M861 VanDerWaalsContact CE1-SD 3.53Å; M861-R866 HydrophobicContact CE-CB 3.92Å; M861-R866 HydrophobicContact CE-CG 4.07Å; M861-L869 HydrophobicContact SD-CD1 4Å
862	S	96.9	Very high	93.3	Very high	57 Å²	57	81.7 Å²	81.7	40%	0.399	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-60.8	146	176.8	70.9	0	0	0	0	111.6	E864 S865 R866	S862-E864 PolarHBondContact O-N 3.19Å; S862-S865 PolarHBondContact O-N 3.06Å; S862-S865 VanDerWaalsContact O-N 3.16Å; S862-S865 WeakPolarHBondContact OG-CB 3.47Å; S862-S865 PolarHBondContact OG-N 2.99Å; S862-S865 PolarHBondContact OG-OG 2.83Å; S862-R866 PolarHBondContact O-N 3.21Å
863	S	95.6	Very high	93.8	Very high	104 Å²	104	72.3 Å²	72.3	73%	0.727	38%	0.376	S	S	*	.	H	α-helix	trans	-57.1	-39.5	177.5	48.6	0	0	0	0	112.1	R866 A867	S863-R866 PolarHBondContact O-N 3.38Å; S863-A867 WeakPolarHBondContact O-CB 3.48Å; S863-A867 PolarHBondContact O-N 3.4Å
864	E	96.5	Very high	94.3	Very high	120 Å²	120	75.5 Å²	75.5	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-59.6	-47.5	175	-174.2	-174.7	-155.8	0	0	112.5	H752 S862 R866 A867 F868	H752-E864 IonicContact CD2-OE2 3.84Å; H752-E864 IonicContact CE1-OE1 2.68Å; H752-E864 IonicContact CG-OE2 3.57Å; H752-E864 IonicContact NE2-OE1 2.81Å; S862-E864 PolarHBondContact O-N 3.19Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 3.11Å; E864-A867 PolarHBondContact O-N 2.93Å; E864-F868 PolarHBondContact O-N 3.21Å
865	S	97.5	Very high	94.5	Very high	2 Å²	2	78.2 Å²	78.2	1%	0.014	40%	0.397	C	S	.	.	H	α-helix	trans	-65.7	-37.5	177.2	-55.1	0	0	0	0	111.7	H752 S862 L869	H752-S865 WeakPolarHBondContact CB-OG 3.4Å; S862-S865 PolarHBondContact O-N 3.06Å; S862-S865 VanDerWaalsContact O-N 3.16Å; S862-S865 WeakPolarHBondContact OG-CB 3.47Å; S862-S865 PolarHBondContact OG-N 2.99Å; S862-S865 PolarHBondContact OG-OG 2.83Å; S865-L869 VanDerWaalsContact O-CG 3.31Å; S865-L869 WeakPolarHBondContact O-CG 3.32Å; S865-L869 PolarHBondContact O-N 3.07Å
866	R	96.5	Very high	95	Very high	81 Å²	81	78.8 Å²	78.8	31%	0.306	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-48.4	177.4	-173.9	170.4	-70.6	-78.8	-0.2	111	D729 M861 S862 S863 E864 F868 L869 T870	D729-R866 IonicContact OD1-CZ 3.65Å; D729-R866 IonicContact OD1-NH1 3.82Å; D729-R866 PolarHBondContact OD1-NH1 3.36Å; D729-R866 IonicContact OD1-NH2 3.64Å; D729-R866 PolarHBondContact OD1-NH2 3.46Å; D729-R866 IonicContact OD2-NH1 3.65Å; M861-R866 HydrophobicContact CE-CB 3.92Å; M861-R866 HydrophobicContact CE-CG 4.07Å; S862-R866 PolarHBondContact O-N 3.21Å; S863-R866 PolarHBondContact O-N 3.38Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 3.11Å; R866-F868 PolarHBondContact O-N 3.34Å; R866-L869 PolarHBondContact O-N 2.99Å; R866-T870 WeakPolarHBondContact O-CB 3.36Å; R866-T870 PolarHBondContact O-N 3.46Å; R866-T870 PolarHBondContact O-OG1 2.93Å
867	A	95.3	Very high	95.4	Very high	66 Å²	66	76 Å²	76	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-45.5	178.4	0	0	0	0	0	111.9	S863 E864 L869 T870 E871	S863-A867 WeakPolarHBondContact O-CB 3.48Å; S863-A867 PolarHBondContact O-N 3.4Å; E864-A867 PolarHBondContact O-N 2.93Å; A867-L869 PolarHBondContact O-N 3.02Å; A867-T870 PolarHBondContact O-N 3.39Å; A867-E871 PolarHBondContact O-N 3.21Å; A867-E871 VanDerWaalsContact O-N 3.15Å
868	F	97.4	Very high	95.9	Very high	74 Å²	74	70.4 Å²	70.4	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-57.4	-46.8	175.1	174.2	-95.4	0	0	0	112.2	V755 T756 E864 R866 E871 Y872	V755-F868 HydrophobicContact CB-CD1 4.26Å; V755-F868 HydrophobicContact CB-CE1 4Å; V755-F868 HydrophobicContact CG2-CD1 3.76Å; V755-F868 HydrophobicContact CG2-CE1 3.95Å; T756-F868 HydrophobicContact CG2-CD1 4.13Å; T756-F868 HydrophobicContact CG2-CD2 3.87Å; T756-F868 HydrophobicContact CG2-CE1 4.09Å; T756-F868 HydrophobicContact CG2-CE2 3.82Å; T756-F868 HydrophobicContact CG2-CG 4.02Å; T756-F868 HydrophobicContact CG2-CZ 3.94Å; E864-F868 PolarHBondContact O-N 3.21Å; R866-F868 PolarHBondContact O-N 3.34Å; F868-E871 PolarHBondContact O-N 3.1Å; F868-Y872 WeakPolarHBondContact O-CB 3.35Å; F868-Y872 PolarHBondContact O-N 3.33Å
869	L	97.4	Very high	96.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-72.9	-34.2	-177.4	-68.9	173.3	0	0	0	113.3	S728 F751 V755 L773 M861 S865 R866 A867 E871 Y872 Y873	S728-L869 VanDerWaalsContact OG-CB 3.25Å; S728-L869 WeakPolarHBondContact OG-CB 3.42Å; F751-L869 HydrophobicContact CE1-CD1 3.59Å; F751-L869 HydrophobicContact CZ-CD1 3.72Å; V755-L869 HydrophobicContact CB-CD2 4.2Å; V755-L869 HydrophobicContact CG1-CD2 4.18Å; L773-L869 HydrophobicContact CD2-CD2 3.44Å; L773-L869 VanDerWaalsContact CD2-CD2 3.44Å; M861-L869 HydrophobicContact SD-CD1 4Å; S865-L869 VanDerWaalsContact O-CG 3.31Å; S865-L869 WeakPolarHBondContact O-CG 3.32Å; S865-L869 PolarHBondContact O-N 3.07Å; R866-L869 PolarHBondContact O-N 2.99Å; A867-L869 PolarHBondContact O-N 3.02Å; L869-E871 VanDerWaalsContact C-N 3.32Å; L869-Y872 PolarHBondContact O-N 3.48Å; L869-Y873 HydrophobicContact CB-CD2 4.35Å; L869-Y873 HydrophobicContact CD2-CE2 4.12Å; L869-Y873 WeakPolarHBondContact O-CB 3.44Å; L869-Y873 VanDerWaalsContact O-CD2 3.28Å; L869-Y873 WeakPolarHBondContact O-CD2 3.43Å; L869-Y873 PolarHBondContact O-N 3.1Å
870	T	95.1	Very high	96.4	Very high	40 Å²	40	65.7 Å²	65.7	25%	0.245	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-44.6	172.3	-72.4	0	0	0	0	110.4	R866 A867 R874 E898	R866-T870 WeakPolarHBondContact O-CB 3.36Å; R866-T870 PolarHBondContact O-N 3.46Å; R866-T870 PolarHBondContact O-OG1 2.93Å; A867-T870 PolarHBondContact O-N 3.39Å; T870-R874 PolarHBondContact O-N 3.04Å; T870-E898 WeakPolarHBondContact CB-OE1 3.01Å; T870-E898 VanDerWaalsContact CG2-OE1 3.24Å; T870-E898 WeakPolarHBondContact CG2-OE1 3.42Å; T870-E898 PolarHBondContact OG1-OE1 3.07Å
871	E	95.4	Very high	96.5	Very high	118 Å²	118	58.7 Å²	58.7	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-68.5	-45.2	175.1	-172.8	58.5	-158.8	0	0	111.8	A867 F868 L869 Y873 R874	A867-E871 PolarHBondContact O-N 3.21Å; A867-E871 VanDerWaalsContact O-N 3.15Å; F868-E871 PolarHBondContact O-N 3.1Å; L869-E871 VanDerWaalsContact C-N 3.32Å; E871-Y873 VanDerWaalsContact C-N 3.32Å; E871-Y873 PolarHBondContact O-N 3.29Å; E871-R874 VanDerWaalsContact O-CB 3.23Å; E871-R874 WeakPolarHBondContact O-CB 3.26Å; E871-R874 PolarHBondContact O-N 3.5Å; E871-R874 VanDerWaalsContact O-N 3.12Å; E871-R874 IonicContact OE2-NH1 2.89Å; E871-R874 PolarHBondContact OE2-NH1 3.35Å
872	Y	96.6	Very high	96.5	Very high	94 Å²	94	65.4 Å²	65.4	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-56.4	-42.3	178.5	177.4	-95.3	0	0	0	113.2	L773 F868 L869	L773-Y872 HydrophobicContact CB-CE1 4.04Å; L773-Y872 HydrophobicContact CD1-CE1 4.24Å; L773-Y872 HydrophobicContact CD1-CE2 4.31Å; L773-Y872 HydrophobicContact CD2-CD1 4.45Å; L773-Y872 HydrophobicContact CD2-CE1 4.27Å; L773-Y872 HydrophobicContact CG-CE1 4.41Å; F868-Y872 WeakPolarHBondContact O-CB 3.35Å; F868-Y872 PolarHBondContact O-N 3.33Å; L869-Y872 PolarHBondContact O-N 3.48Å
873	Y	97.4	Very high	96.5	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.5	-179.4	-71.7	-61.7	0	0	0	114.1	P727 L773 L869 E871 D875 H876 N877	P727-Y873 HydrophobicContact CB-CD1 4.03Å; P727-Y873 HydrophobicContact CB-CD2 3.75Å; P727-Y873 HydrophobicContact CB-CE1 3.99Å; P727-Y873 HydrophobicContact CB-CE2 3.69Å; P727-Y873 HydrophobicContact CB-CG 3.91Å; P727-Y873 HydrophobicContact CG-CD1 4.17Å; P727-Y873 HydrophobicContact CG-CD2 3.69Å; P727-Y873 HydrophobicContact CG-CE2 4.16Å; P727-Y873 HydrophobicContact CG-CG 3.68Å; L773-Y873 VanDerWaalsContact CA-OH 3.32Å; L773-Y873 WeakPolarHBondContact CA-OH 3.35Å; L773-Y873 PolarHBondContact O-OH 2.77Å; L869-Y873 HydrophobicContact CB-CD2 4.35Å; L869-Y873 HydrophobicContact CD2-CE2 4.12Å; L869-Y873 WeakPolarHBondContact O-CB 3.44Å; L869-Y873 VanDerWaalsContact O-CD2 3.28Å; L869-Y873 WeakPolarHBondContact O-CD2 3.43Å; L869-Y873 PolarHBondContact O-N 3.1Å; E871-Y873 VanDerWaalsContact C-N 3.32Å; E871-Y873 PolarHBondContact O-N 3.29Å; Y873-D875 PolarHBondContact O-N 2.81Å; Y873-H876 HydrophobicContact CD1-CB 4.3Å; Y873-H876 PolarHBondContact O-N 2.03Å; Y873-N877 VanDerWaalsContact O-CB 3.3Å; Y873-N877 WeakPolarHBondContact O-CB 3.05Å; Y873-N877 VanDerWaalsContact O-CG 3.27Å; Y873-N877 PolarHBondContact O-N 2.81Å; Y873-N877 PolarHBondContact O-ND2 2.96Å
874	R	95.3	Very high	96.6	Very high	121 Å²	121	57.9 Å²	57.9	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-54.3	-53.7	-175.9	-174.7	-179.8	-172.4	146	5	112.1	T870 E871 N877 M878	T870-R874 PolarHBondContact O-N 3.04Å; E871-R874 VanDerWaalsContact O-CB 3.23Å; E871-R874 WeakPolarHBondContact O-CB 3.26Å; E871-R874 PolarHBondContact O-N 3.5Å; E871-R874 VanDerWaalsContact O-N 3.12Å; E871-R874 IonicContact OE2-NH1 2.89Å; E871-R874 PolarHBondContact OE2-NH1 3.35Å; R874-N877 PolarHBondContact O-N 3.27Å; R874-M878 WeakPolarHBondContact O-CG 3.22Å; R874-M878 PolarHBondContact O-N 2.86Å
875	D	94.9	Very high	96.5	Very high	118 Å²	118	56.8 Å²	56.8	63%	0.631	27%	0.269	S	S	*	.	H	α-helix	trans	-66.9	-41.8	-179.8	-72.2	-26.5	0	0	0	111.8	Y873 N877 M878 E879	Y873-D875 PolarHBondContact O-N 2.81Å; D875-N877 VanDerWaalsContact C-N 3.32Å; D875-N877 PolarHBondContact O-N 3.34Å; D875-M878 PolarHBondContact O-N 3.16Å; D875-M878 VanDerWaalsContact O-N 3.15Å; D875-E879 WeakPolarHBondContact O-CG 3.28Å; D875-E879 PolarHBondContact O-N 3.22Å
876	H	96.2	Very high	96.4	Very high	48 Å²	48	63.8 Å²	63.8	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-38.8	175.8	-70.2	-52.6	0	0	0	113.1	Y873 E879 L880	Y873-H876 HydrophobicContact CD1-CB 4.3Å; Y873-H876 PolarHBondContact O-N 2.03Å; H876-E879 IonicContact ND1-OE2 3.95Å; H876-E879 PolarHBondContact O-N 3.15Å; H876-L880 WeakPolarHBondContact O-CB 3.41Å; H876-L880 PolarHBondContact O-N 3.29Å
877	N	97.3	Very high	96.3	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-39.5	175.8	-75.9	-20.4	0	0	0	110.8	Y873 R874 D875 L880 V881 L895	Y873-N877 VanDerWaalsContact O-CB 3.3Å; Y873-N877 WeakPolarHBondContact O-CB 3.05Å; Y873-N877 VanDerWaalsContact O-CG 3.27Å; Y873-N877 PolarHBondContact O-N 2.81Å; Y873-N877 PolarHBondContact O-ND2 2.96Å; R874-N877 PolarHBondContact O-N 3.27Å; D875-N877 VanDerWaalsContact C-N 3.32Å; D875-N877 PolarHBondContact O-N 3.34Å; N877-L880 WeakPolarHBondContact O-CB 3.24Å; N877-L880 PolarHBondContact O-N 2.79Å; N877-V881 WeakPolarHBondContact O-CG2 3.36Å; N877-V881 PolarHBondContact O-N 2.86Å; N877-L895 HydrophobicContact CB-CD1 3.85Å
878	M	96.3	Very high	96.2	Very high	70 Å²	70	64.2 Å²	64.2	35%	0.345	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-40.1	173.9	-71.9	-58	-59.7	0	0	112.3	R874 D875 L880 V881 R882 L899	R874-M878 WeakPolarHBondContact O-CG 3.22Å; R874-M878 PolarHBondContact O-N 2.86Å; D875-M878 PolarHBondContact O-N 3.16Å; D875-M878 VanDerWaalsContact O-N 3.15Å; M878-L880 VanDerWaalsContact C-N 3.33Å; M878-V881 PolarHBondContact O-N 3.04Å; M878-R882 WeakPolarHBondContact O-CG 3.03Å; M878-R882 PolarHBondContact O-N 2.88Å; M878-L899 HydrophobicContact SD-CD2 3.68Å
879	E	96.7	Very high	95.9	Very high	80 Å²	80	62.7 Å²	62.7	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-42.7	171.1	-71.9	176.3	161.2	0	0	111.6	A779 D875 H876 V881 R882 L883	A779-E879 HydrophobicContact CB-CB 3.76Å; D875-E879 WeakPolarHBondContact O-CG 3.28Å; D875-E879 PolarHBondContact O-N 3.22Å; H876-E879 IonicContact ND1-OE2 3.95Å; H876-E879 PolarHBondContact O-N 3.15Å; E879-V881 PolarHBondContact O-N 3.44Å; E879-R882 PolarHBondContact O-N 2.68Å; E879-L883 WeakPolarHBondContact O-CB 3.33Å; E879-L883 PolarHBondContact O-N 2.97Å
880	L	97.9	Very high	95.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-42.5	176.4	-178.3	63.5	0	0	0	111.5	L724 Y778 A779 L782 H876 N877 M878 R882 L883 L884 W894 L895	L724-L880 HydrophobicContact CD1-CD1 4.43Å; L724-L880 HydrophobicContact CD1-CD2 4.25Å; Y778-L880 HydrophobicContact CD2-CD2 3.89Å; Y778-L880 HydrophobicContact CG-CD2 4.5Å; A779-L880 HydrophobicContact CB-CB 4.26Å; L782-L880 HydrophobicContact CD1-CD1 3.86Å; H876-L880 WeakPolarHBondContact O-CB 3.41Å; H876-L880 PolarHBondContact O-N 3.29Å; N877-L880 WeakPolarHBondContact O-CB 3.24Å; N877-L880 PolarHBondContact O-N 2.79Å; M878-L880 VanDerWaalsContact C-N 3.33Å; L880-R882 PolarHBondContact O-N 2.87Å; L880-L883 PolarHBondContact O-N 3.36Å; L880-L884 HydrophobicContact CD1-CD1 4.09Å; L880-L884 HydrophobicContact CD1-CD2 4.25Å; L880-L884 HydrophobicContact CD1-CG 3.93Å; L880-L884 HydrophobicContact CG-CD1 4Å; L880-L884 HydrophobicContact CG-CG 4.2Å; L880-L884 WeakPolarHBondContact O-CB 3.35Å; L880-L884 VanDerWaalsContact O-CG 3.28Å; L880-L884 WeakPolarHBondContact O-CG 3.41Å; L880-L884 PolarHBondContact O-N 3.23Å; L880-W894 HydrophobicContact CD2-CH2 4.08Å; L880-W894 HydrophobicContact CD2-CZ2 4.23Å; L880-L895 HydrophobicContact CD2-CD2 3.95Å; L880-L895 HydrophobicContact CG-CD2 4.16Å
881	V	97.7	Very high	95.7	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-48.8	174.6	172.3	0	0	0	0	111	N877 M878 E879 L883 L884 N885 L891 L895 L899	N877-V881 WeakPolarHBondContact O-CG2 3.36Å; N877-V881 PolarHBondContact O-N 2.86Å; M878-V881 PolarHBondContact O-N 3.04Å; E879-V881 PolarHBondContact O-N 3.44Å; V881-L883 VanDerWaalsContact C-N 3.3Å; V881-L883 PolarHBondContact O-N 2.85Å; V881-L884 PolarHBondContact O-N 2.66Å; V881-N885 WeakPolarHBondContact CG1-ND2 3.38Å; V881-N885 WeakPolarHBondContact O-CB 3.47Å; V881-N885 VanDerWaalsContact O-CG 3.23Å; V881-N885 PolarHBondContact O-N 3.45Å; V881-N885 PolarHBondContact O-ND2 2.62Å; V881-L891 HydrophobicContact CG1-CD1 4.32Å; V881-L891 HydrophobicContact CG1-CD2 4.48Å; V881-L891 HydrophobicContact CG2-CD1 4.47Å; V881-L891 HydrophobicContact CG2-CD2 4.49Å; V881-L895 HydrophobicContact CG2-CD1 4.25Å; V881-L895 HydrophobicContact CG2-CD2 3.82Å; V881-L895 HydrophobicContact CG2-CG 4.1Å; V881-L899 HydrophobicContact CG2-CD1 3.52Å; V881-L899 HydrophobicContact CG2-CD2 4.35Å; V881-L899 HydrophobicContact CG2-CG 4.47Å
882	R	97.2	Very high	95.7	Very high	155 Å²	155	61.4 Å²	61.4	59%	0.585	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-44.4	178	-68.3	176.2	-163.2	125.2	0.1	111	M878 E879 L880 R886	M878-R882 WeakPolarHBondContact O-CG 3.03Å; M878-R882 PolarHBondContact O-N 2.88Å; E879-R882 PolarHBondContact O-N 2.68Å; L880-R882 PolarHBondContact O-N 2.87Å; R882-R886 WeakPolarHBondContact O-CB 3.39Å; R882-R886 PolarHBondContact O-N 2.88Å
883	L	96.8	Very high	95.7	Very high	4 Å²	4	59 Å²	59	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-53.1	177.7	177.5	60.7	0	0	0	111.7	A779 L782 E783 L786 E879 L880 V881 N885 R886 L887	A779-L883 HydrophobicContact CB-CD2 4.27Å; L782-L883 HydrophobicContact CB-CD2 3.73Å; L782-L883 HydrophobicContact CD1-CD2 4.17Å; E783-L883 HydrophobicContact CG-CD1 4.31Å; E783-L883 HydrophobicContact CG-CD2 4.27Å; L786-L883 HydrophobicContact CD1-CD1 3.93Å; E879-L883 WeakPolarHBondContact O-CB 3.33Å; E879-L883 PolarHBondContact O-N 2.97Å; L880-L883 PolarHBondContact O-N 3.36Å; V881-L883 VanDerWaalsContact C-N 3.3Å; V881-L883 PolarHBondContact O-N 2.85Å; L883-N885 VanDerWaalsContact C-N 3.33Å; L883-N885 PolarHBondContact O-N 3.32Å; L883-R886 WeakPolarHBondContact O-CB 3.32Å; L883-R886 PolarHBondContact O-N 3.31Å; L883-R886 VanDerWaalsContact O-N 3.12Å; L883-L887 HydrophobicContact CD1-CD1 3.83Å; L883-L887 HydrophobicContact CD1-CG 4.07Å; L883-L887 HydrophobicContact CG-CD1 3.9Å; L883-L887 HydrophobicContact CG-CG 4.46Å; L883-L887 VanDerWaalsContact O-CG 3.28Å; L883-L887 WeakPolarHBondContact O-CG 3.45Å; L883-L887 PolarHBondContact O-N 2.65Å
884	L	96.5	Very high	95.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-38	-177.2	-65.7	-177.5	0	0	0	112.2	I796 L880 V881 L887 V888 Q889 L891 L895	I796-L884 HydrophobicContact CG1-CD2 3.78Å; L880-L884 HydrophobicContact CD1-CD1 4.09Å; L880-L884 HydrophobicContact CD1-CD2 4.25Å; L880-L884 HydrophobicContact CD1-CG 3.93Å; L880-L884 HydrophobicContact CG-CD1 4Å; L880-L884 HydrophobicContact CG-CG 4.2Å; L880-L884 WeakPolarHBondContact O-CB 3.35Å; L880-L884 VanDerWaalsContact O-CG 3.28Å; L880-L884 WeakPolarHBondContact O-CG 3.41Å; L880-L884 PolarHBondContact O-N 3.23Å; V881-L884 PolarHBondContact O-N 2.66Å; L884-L887 CarbonylContact O-C 3.58Å; L884-L887 PolarHBondContact O-N 3.46Å; L884-V888 PolarHBondContact O-N 3.11Å; L884-Q889 HydrophobicContact CB-CB 4.47Å; L884-Q889 HydrophobicContact CD2-CB 4.15Å; L884-Q889 PolarHBondContact O-N 3.47Å; L884-L891 HydrophobicContact CB-CD2 3.67Å; L884-L891 HydrophobicContact CD1-CD2 3.81Å; L884-L891 HydrophobicContact CG-CD2 4.35Å; L884-L895 HydrophobicContact CD1-CD2 4.39Å
885	N	95.9	Very high	95.6	Very high	97 Å²	97	53.7 Å²	53.7	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-43.8	172.4	-72.7	-21.8	0	0	0	111.7	V881 L883 L887 V888	V881-N885 WeakPolarHBondContact CG1-ND2 3.38Å; V881-N885 WeakPolarHBondContact O-CB 3.47Å; V881-N885 VanDerWaalsContact O-CG 3.23Å; V881-N885 PolarHBondContact O-N 3.45Å; V881-N885 PolarHBondContact O-ND2 2.62Å; L883-N885 VanDerWaalsContact C-N 3.33Å; L883-N885 PolarHBondContact O-N 3.32Å; N885-L887 VanDerWaalsContact C-N 3.26Å; N885-L887 PolarHBondContact O-N 2.93Å; N885-V888 PolarHBondContact O-N 3.28Å; N885-V888 VanDerWaalsContact O-N 3.1Å
886	R	95.4	Very high	95.5	Very high	149 Å²	149	52.4 Å²	52.4	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-61.2	-35.6	175.5	-171.7	-176.8	74.1	-165.9	4.7	112.1	E783 R882 L883 V888	E783-R886 IonicContact OE1-CZ 3.41Å; E783-R886 VanDerWaalsContact OE1-CZ 3.23Å; E783-R886 IonicContact OE1-NH1 2.99Å; E783-R886 PolarHBondContact OE1-NH1 3.11Å; E783-R886 IonicContact OE1-NH2 3.36Å; E783-R886 PolarHBondContact OE1-NH2 3Å; E783-R886 IonicContact OE2-CZ 2.65Å; E783-R886 IonicContact OE2-NH2 3.34Å; E783-R886 PolarHBondContact OE2-NH2 3.02Å; R882-R886 WeakPolarHBondContact O-CB 3.39Å; R882-R886 PolarHBondContact O-N 2.88Å; L883-R886 WeakPolarHBondContact O-CB 3.32Å; L883-R886 PolarHBondContact O-N 3.31Å; L883-R886 VanDerWaalsContact O-N 3.12Å; R886-V888 VanDerWaalsContact C-N 3.31Å
887	L	92.9	Very high	95.3	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.131	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.9	177.5	-59.5	173.4	0	0	0	113.6	L786 P791 L883 L884 N885 Q889	L786-L887 HydrophobicContact CD1-CD1 3.74Å; L786-L887 HydrophobicContact CD1-CD2 3.98Å; L786-L887 HydrophobicContact CD1-CG 4.44Å; L786-L887 HydrophobicContact CD2-CD2 4.13Å; P791-L887 HydrophobicContact CB-CD2 3.87Å; P791-L887 HydrophobicContact CG-CD2 3.94Å; L883-L887 HydrophobicContact CD1-CD1 3.83Å; L883-L887 HydrophobicContact CD1-CG 4.07Å; L883-L887 HydrophobicContact CG-CD1 3.9Å; L883-L887 HydrophobicContact CG-CG 4.46Å; L883-L887 VanDerWaalsContact O-CG 3.28Å; L883-L887 WeakPolarHBondContact O-CG 3.45Å; L883-L887 PolarHBondContact O-N 2.65Å; L884-L887 CarbonylContact O-C 3.58Å; L884-L887 PolarHBondContact O-N 3.46Å; N885-L887 VanDerWaalsContact C-N 3.26Å; N885-L887 PolarHBondContact O-N 2.93Å; L887-Q889 HydrophobicContact CB-CG 3.91Å; L887-Q889 PolarHBondContact O-N 3.08Å
888	V	93.9	Very high	94.9	Very high	131 Å²	131	56.3 Å²	56.3	79%	0.794	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40	-175	-160.5	0	0	0	0	111.8	L884 N885 R886	L884-V888 PolarHBondContact O-N 3.11Å; N885-V888 PolarHBondContact O-N 3.28Å; N885-V888 VanDerWaalsContact O-N 3.1Å; R886-V888 VanDerWaalsContact C-N 3.31Å
889	Q	91	Very high	94.4	Very high	41 Å²	41	54.9 Å²	54.9	19%	0.192	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-101.9	142.7	176.3	-67.8	-76.7	-28.3	0	0	109.9	L794 L884 L887	L794-Q889 PolarHBondContact O-NE2 3.37Å; L884-Q889 HydrophobicContact CB-CB 4.47Å; L884-Q889 HydrophobicContact CD2-CB 4.15Å; L884-Q889 PolarHBondContact O-N 3.47Å; L887-Q889 HydrophobicContact CB-CG 3.91Å; L887-Q889 PolarHBondContact O-N 3.08Å
890	P	92.9	Very high	93.9	Very high	98 Å²	98	57.2 Å²	57.2	64%	0.636	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-63.9	140.9	176.1	27.9	-33.9	0	0	0	110.6
891	L	95.5	Very high	92.9	Very high	30 Å²	30	63.4 Å²	63.4	16%	0.157	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.6	136.5	174.7	-53.8	178.3	0	0	0	109.5	V881 L884 L895	V881-L891 HydrophobicContact CG1-CD1 4.32Å; V881-L891 HydrophobicContact CG1-CD2 4.48Å; V881-L891 HydrophobicContact CG2-CD1 4.47Å; V881-L891 HydrophobicContact CG2-CD2 4.49Å; L884-L891 HydrophobicContact CB-CD2 3.67Å; L884-L891 HydrophobicContact CD1-CD2 3.81Å; L884-L891 HydrophobicContact CG-CD2 4.35Å; L891-L895 HydrophobicContact CB-CD2 4.47Å; L891-L895 HydrophobicContact CD2-CD2 4.26Å
892	P	96.2	Very high	91.2	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.026	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-56.7	145.4	172.4	-26.2	35	0	0	0	112.2	I796 D798 W894 L895 H896	I796-P892 HydrophobicContact CG2-CG 4.27Å; D798-P892 HydrophobicContact CB-CB 4.18Å; P892-W894 VanDerWaalsContact C-N 3.28Å; P892-W894 VanDerWaalsContact CB-CD1 3.49Å; P892-W894 HydrophobicContact CB-CD2 4.49Å; P892-W894 HydrophobicContact CB-CG 4.27Å; P892-W894 PolarHBondContact O-N 3.26Å; P892-L895 HydrophobicContact CB-CB 4.4Å; P892-L895 WeakPolarHBondContact O-CB 3.49Å; P892-L895 PolarHBondContact O-N 3.25Å; P892-H896 PolarHBondContact O-N 2.85Å; P892-H896 VanDerWaalsContact O-N 3.11Å
893	S	95.1	Very high	89.1	Confident	44 Å²	44	70.8 Å²	70.8	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-55.6	-40.2	-179.6	55.9	0	0	0	0	113.1	D798 L895 H896 Q897	D798-S893 PolarHBondContact OD1-OG 2.8Å; D798-S893 VanDerWaalsContact OD2-CB 3.22Å; D798-S893 WeakPolarHBondContact OD2-CB 3.33Å; D798-S893 PolarHBondContact OD2-N 3.03Å; D798-S893 PolarHBondContact OD2-OG 3.33Å; S893-L895 VanDerWaalsContact C-N 3.27Å; S893-L895 PolarHBondContact O-N 3.19Å; S893-H896 PolarHBondContact O-N 2.82Å; S893-Q897 WeakPolarHBondContact O-CG 3.49Å; S893-Q897 PolarHBondContact O-N 3.13Å; S893-Q897 VanDerWaalsContact O-N 3.08Å
894	W	95.2	Very high	88.7	Confident	9 Å²	9	74.2 Å²	74.2	3%	0.034	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-33.3	176.2	68.4	-98.4	0	0	0	112.6	L724 I725 N726 P727 Y778 A800 L880 P892 Q897 E898	L724-W894 HydrophobicContact CB-CZ2 4.24Å; L724-W894 PolarHBondContact O-NE1 2.74Å; I725-W894 WeakPolarHBondContact O-CZ2 3.45Å; N726-W894 HydrophobicContact CB-CB 4.39Å; N726-W894 HydrophobicContact CB-CD2 4.23Å; N726-W894 HydrophobicContact CB-CE3 3.96Å; N726-W894 HydrophobicContact CB-CG 4.44Å; P727-W894 HydrophobicContact CG-CZ3 4.41Å; Y778-W894 HydrophobicContact CD2-CH2 4.15Å; Y778-W894 HydrophobicContact CD2-CZ2 4.1Å; Y778-W894 AromaticContact CE2-CH2 3.97Å; Y778-W894 HydrophobicContact CE2-CH2 3.97Å; Y778-W894 AromaticContact CE2-CZ2 3.83Å; Y778-W894 HydrophobicContact CE2-CZ2 3.83Å; A800-W894 HydrophobicContact CB-CB 4.34Å; L880-W894 HydrophobicContact CD2-CH2 4.08Å; L880-W894 HydrophobicContact CD2-CZ2 4.23Å; P892-W894 VanDerWaalsContact C-N 3.28Å; P892-W894 VanDerWaalsContact CB-CD1 3.49Å; P892-W894 HydrophobicContact CB-CD2 4.49Å; P892-W894 HydrophobicContact CB-CG 4.27Å; P892-W894 PolarHBondContact O-N 3.26Å; W894-Q897 PolarHBondContact O-N 2.88Å; W894-E898 PolarHBondContact O-N 2.95Å
895	L	96.1	Very high	88.3	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-75.2	-39.9	-179.5	-178.7	60.2	0	0	0	110.2	N877 L880 V881 L884 L891 P892 S893 Q897 E898 L899	N877-L895 HydrophobicContact CB-CD1 3.85Å; L880-L895 HydrophobicContact CD2-CD2 3.95Å; L880-L895 HydrophobicContact CG-CD2 4.16Å; V881-L895 HydrophobicContact CG2-CD1 4.25Å; V881-L895 HydrophobicContact CG2-CD2 3.82Å; V881-L895 HydrophobicContact CG2-CG 4.1Å; L884-L895 HydrophobicContact CD1-CD2 4.39Å; L891-L895 HydrophobicContact CB-CD2 4.47Å; L891-L895 HydrophobicContact CD2-CD2 4.26Å; P892-L895 HydrophobicContact CB-CB 4.4Å; P892-L895 WeakPolarHBondContact O-CB 3.49Å; P892-L895 PolarHBondContact O-N 3.25Å; S893-L895 VanDerWaalsContact C-N 3.27Å; S893-L895 PolarHBondContact O-N 3.19Å; L895-Q897 VanDerWaalsContact C-N 3.32Å; L895-Q897 PolarHBondContact O-N 3.11Å; L895-E898 PolarHBondContact O-N 3.45Å; L895-L899 HydrophobicContact CD1-CD1 4.41Å; L895-L899 HydrophobicContact CD1-CG 4.43Å; L895-L899 HydrophobicContact CG-CD1 4.19Å; L895-L899 WeakPolarHBondContact O-CD1 3.26Å; L895-L899 WeakPolarHBondContact O-CG 3.39Å; L895-L899 PolarHBondContact O-N 3.32Å
896	H	92.8	Very high	87.8	Confident	92 Å²	92	77 Å²	77	43%	0.426	38%	0.379	S	S	.	.	H	α-helix	trans	-57	-45.5	170.5	-87.2	-66.4	0	0	0	112.2	P892 S893 L899 Q900	P892-H896 PolarHBondContact O-N 2.85Å; P892-H896 VanDerWaalsContact O-N 3.11Å; S893-H896 PolarHBondContact O-N 2.82Å; H896-L899 PolarHBondContact O-N 3.38Å; H896-Q900 WeakPolarHBondContact O-CG 3.41Å; H896-Q900 PolarHBondContact O-N 3.32Å; H896-Q900 VanDerWaalsContact O-N 3.08Å
897	Q	91	Very high	87.4	Confident	114 Å²	114	72.8 Å²	72.8	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-44.6	178.3	-71.5	172.5	-5.2	0	0	112	S893 W894 L895 L899 Q900 N901	S893-Q897 WeakPolarHBondContact O-CG 3.49Å; S893-Q897 PolarHBondContact O-N 3.13Å; S893-Q897 VanDerWaalsContact O-N 3.08Å; W894-Q897 PolarHBondContact O-N 2.88Å; L895-Q897 VanDerWaalsContact C-N 3.32Å; L895-Q897 PolarHBondContact O-N 3.11Å; Q897-L899 VanDerWaalsContact C-N 3.3Å; Q897-L899 PolarHBondContact O-N 3.44Å; Q897-Q900 PolarHBondContact O-N 2.99Å; Q897-N901 VanDerWaalsContact O-CG 3.27Å; Q897-N901 PolarHBondContact O-N 3.43Å; Q897-N901 PolarHBondContact O-ND2 3.28Å
898	E	89.8	Confident	87.1	Confident	22 Å²	22	75.8 Å²	75.8	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-59.4	-42.2	178.1	-162.8	74.4	-173.7	0	0	111.4	N726 T870 W894 L895 N901 S902	N726-E898 PolarHBondContact ND2-OE2 2.67Å; T870-E898 WeakPolarHBondContact CB-OE1 3.01Å; T870-E898 VanDerWaalsContact CG2-OE1 3.24Å; T870-E898 WeakPolarHBondContact CG2-OE1 3.42Å; T870-E898 PolarHBondContact OG1-OE1 3.07Å; W894-E898 PolarHBondContact O-N 2.95Å; L895-E898 PolarHBondContact O-N 3.45Å; E898-N901 PolarHBondContact O-N 3.39Å; E898-S902 WeakPolarHBondContact O-CB 3.29Å; E898-S902 PolarHBondContact O-N 3.07Å; E898-S902 VanDerWaalsContact O-N 3.11Å; E898-S902 PolarHBondContact O-OG 3.01Å
899	L	86.8	Confident	86.6	Confident	41 Å²	41	72.1 Å²	72.1	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-70	-31.1	179	-65	166.4	0	0	0	113.3	M878 V881 L895 H896 Q897	M878-L899 HydrophobicContact SD-CD2 3.68Å; V881-L899 HydrophobicContact CG2-CD1 3.52Å; V881-L899 HydrophobicContact CG2-CD2 4.35Å; V881-L899 HydrophobicContact CG2-CG 4.47Å; L895-L899 HydrophobicContact CD1-CD1 4.41Å; L895-L899 HydrophobicContact CD1-CG 4.43Å; L895-L899 HydrophobicContact CG-CD1 4.19Å; L895-L899 WeakPolarHBondContact O-CD1 3.26Å; L895-L899 WeakPolarHBondContact O-CG 3.39Å; L895-L899 PolarHBondContact O-N 3.32Å; H896-L899 PolarHBondContact O-N 3.38Å; Q897-L899 VanDerWaalsContact C-N 3.3Å; Q897-L899 PolarHBondContact O-N 3.44Å
900	Q	84.8	Confident	86.3	Confident	129 Å²	129	74.3 Å²	74.3	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-71.7	-39.8	174.3	-76	176.4	-10.4	0	0	111.5	H896 Q897 S902 R903	H896-Q900 WeakPolarHBondContact O-CG 3.41Å; H896-Q900 PolarHBondContact O-N 3.32Å; H896-Q900 VanDerWaalsContact O-N 3.08Å; Q897-Q900 PolarHBondContact O-N 2.99Å; Q900-S902 VanDerWaalsContact C-N 3.26Å; Q900-S902 PolarHBondContact O-N 2.96Å; Q900-R903 PolarHBondContact O-N 3.25Å
901	N	76.6	Confident	85.8	Confident	130 Å²	130	72.5 Å²	72.5	70%	0.695	35%	0.346	S	S	*	.	H	α-helix	trans	-74.1	-15.4	178.6	-65.7	-18.5	0	0	0	113.6	Q897 E898	Q897-N901 VanDerWaalsContact O-CG 3.27Å; Q897-N901 PolarHBondContact O-N 3.43Å; Q897-N901 PolarHBondContact O-ND2 3.28Å; E898-N901 PolarHBondContact O-N 3.39Å
902	S	63.3	Low	85	Confident	52 Å²	52	76 Å²	76	36%	0.364	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.8	178.6	-54.7	0	0	0	0	113.9	E898 Q900	E898-S902 WeakPolarHBondContact O-CB 3.29Å; E898-S902 PolarHBondContact O-N 3.07Å; E898-S902 VanDerWaalsContact O-N 3.11Å; E898-S902 PolarHBondContact O-OG 3.01Å; Q900-S902 VanDerWaalsContact C-N 3.26Å; Q900-S902 PolarHBondContact O-N 2.96Å
903	R	51.9	Low	84	Confident	275 Å²	275	82.5 Å²	82.5	100%	1.038	39%	0.392	S	S	*	.			trans	-93.7	0	171	-74	178.6	-178.9	-169.5	-0.2	109.2	Q900	Q900-R903 PolarHBondContact O-N 3.25Å

Retrieved 903 of 903 residues in 823.2 ms (Link to these results)

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