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ATP-dependent chromatin remodeler CHD1L

ATP-dependent chromatin remodeler that mediates chromatin-remodeling following DNA damage. Recruited to DNA damage sites through interaction with poly-ADP-ribose: specifically recognizes and binds histones that are poly-ADP-ribosylated on serine residues in response to DNA damage. Poly-ADP-ribose-binding activates the ATP-dependent chromatin remodeler activity, thereby regulating chromatin during DNA repair. Catalyzes nucleosome sliding away from DNA breaks in an ATP-dependent manner. Chromatin remodeling activity promotes PARP2 removal from chromatin.

AlphaFold DB , UniProt , Accession X5D2E5, Species HUMAN (Homo sapiens, Human), Gene CHD1L, Length 897 aa.

						>X5D2E5_HUMAN|X5D2E5|CHD1L
MERAGATSRGGQAPGFLLRLHTEGRAEAARVQEQDLRQWGLTGIHLRSYQLEGVNWLAQRFHCQNGCILGDEMGLGKTCQTIALFIYLAGRLNDEGPFLILCPLSVLSNWKEEMQRFAPGLSCVTYAGDKEERACLQQDLKQESRFHVLLTTYEICLKDASFLKSFPWSVLVVDEAHRLKNQSSLLHKTLSEFSVVFSLLLTGTPIQNSLQELYSLLSFVEPDLFSKEEVGDFIQRYQDIEKESESASELHKLLQPFLLRRVKAEVATELPKKTEVVIYHGMSALQKKYYKAILMKDLDAFENETAKKVKLQNILSQLRKCVDHPYLFDGVEPEPFEVGDHLTEASGKLQLLDKLLAFLYSGGHRVLLFSQMTQMLDILQDYMDYRGYSYERVDGSVRGEERHLAIKNFGQQPIFVFLLSTRAGGVGMNLTAADTVIFVDSDFNPQNDLQAAARAHRIGQNKSVKVIRLIGRDTVEEIVYRKAASKLQLTNMIIEGGHFTLGAQKPAADADLQLSEILKFGLDKLLASEGSTMDEIDLESILGETKDGQWVSDALPAAEGGSRDQEEGKNHMYLFEGKDYSKEPSKEDRKSFEQLVNLQKTLLEKASQEGRSLRNKGSVLIPGLVEGSTKRKRVLSPEELEDRQKKRQEAAAKRRRLIEEKKRQKEEAEHKKKMAWWESNNYQSFCLPSEESEPEDLENGEESSAELDYQDPDATSLKYVSGDVTHPQAGAEDALIVHCVDDSGHWGRGGLFTALEKRSAEPRKIYELAGKMKDLSLGGVLLFPVDDKESRNKGQDLLALIVAQHRDRSNVLSGIKMAALEEGLKKIFLAAKKKKASVHLPRIGHATKGFNWYGTERLIRKHLAARGIPTYIYYFPRSKSAVLHSQSSSSSSRQLVP
					

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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	31.2	Very low	30.4	Very low	239 Å²	239	148.9 Å²	148.9	100%	1.177	89%	0.893	S	S	*	*				0	153.6	0	-117.5	166.8	168.7	0	0	107.6
2	E	31.3	Very low	31.1	Very low	199 Å²	199	152.8 Å²	152.8	93%	0.93	90%	0.895	S	S	*	*			trans	66.9	134.9	176.8	-60.8	-167.4	136.1	0	0	119.4
3	R	37.3	Very low	31.9	Very low	252 Å²	252	145.2 Å²	145.2	95%	0.951	86%	0.86	S	S	*	*			trans	-115.5	137.3	172.7	-76.5	173	164	176.6	-5.4	107.7
4	A	30.5	Very low	33.2	Very low	109 Å²	109	136.6 Å²	136.6	90%	0.901	81%	0.81	S	S	*	*			trans	-170.7	144.4	142.2	0	0	0	0	0	107.4
5	G	26.5	Very low	34.1	Very low	82 Å²	82	129.2 Å²	129.2	85%	0.845	77%	0.774	S	S	*	*			cis	153.2	87.5	-1.3	0	0	0	0	0	110.4
6	A	26.5	Very low	35.2	Very low	106 Å²	106	121.3 Å²	121.3	88%	0.876	73%	0.726	S	S	*	*			trans	-145.7	116.1	172.1	0	0	0	0	0	109.8
7	T	27.8	Very low	36	Very low	136 Å²	136	115.9 Å²	115.9	83%	0.834	69%	0.693	S	S	*	*			trans	-97.8	139.1	-174.5	40	0	0	0	0	112.8
8	S	29.1	Very low	36.6	Very low	108 Å²	108	115.7 Å²	115.7	76%	0.755	69%	0.687	S	S	*	*			trans	56.5	98.5	149.2	63.1	0	0	0	0	119.4
9	R	28.6	Very low	37.3	Very low	251 Å²	251	114.9 Å²	114.9	95%	0.947	67%	0.671	S	S	*	*				-119.6	118.7	113.4	-85.1	-171.8	171.8	-175.8	-1.7	108.5	G11	R9-G11 PolarHBondContact O-N 3.28Å
10	G	32.1	Very low	37.9	Very low	90 Å²	90	111.9 Å²	111.9	93%	0.928	65%	0.651	S	S	*	*			trans	-80.1	100.9	-179.3	0	0	0	0	0	111.2
11	G	33	Very low	38.2	Very low	66 Å²	66	114.8 Å²	114.8	68%	0.68	66%	0.658	S	S	*	*			trans	-122.8	130.1	148.8	0	0	0	0	0	106.6	R9 A13	R9-G11 PolarHBondContact O-N 3.28Å; G11-A13 PolarHBondContact O-N 2.79Å
12	Q	39.3	Very low	38.7	Very low	196 Å²	196	108.8 Å²	108.8	92%	0.916	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-59.1	131.7	167.6	-76.2	174	-40.1	0	0	107.5
13	A	41.4	Very low	39.2	Very low	53 Å²	53	105.2 Å²	105.2	44%	0.438	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-60.2	127.7	168.9	0	0	0	0	0	107.3	G11 L18	G11-A13 PolarHBondContact O-N 2.79Å; A13-L18 HydrophobicContact CB-CD1 4.14Å
14	P	49.5	Very low	39.3	Very low	25 Å²	25	97 Å²	97	16%	0.162	61%	0.612	C	S	.	*	P	Polyproline II helix	trans	-60.7	149.7	-176.2	25	-36.2	0	0	0	111	F16 L17	P14-F16 HydrophobicContact CB-CD1 3.76Å; P14-F16 HydrophobicContact CB-CE1 3.42Å; P14-F16 VanDerWaalsContact CB-CE1 3.42Å; P14-F16 HydrophobicContact CB-CZ 4.06Å; P14-F16 HydrophobicContact CG-CD1 4.06Å; P14-F16 HydrophobicContact CG-CE1 3.4Å; P14-F16 VanDerWaalsContact CG-CE1 3.4Å; P14-F16 HydrophobicContact CG-CE2 4.2Å; P14-F16 HydrophobicContact CG-CZ 3.48Å; P14-F16 VanDerWaalsContact CG-CZ 3.48Å; P14-F16 PolarHBondContact O-N 3.31Å; P14-L17 HydrophobicContact CG-CD1 4.03Å; P14-L17 HydrophobicContact CG-CG 4.32Å; P14-L17 PolarHBondContact O-N 3.05Å
15	G	47.6	Very low	39.9	Very low	26 Å²	26	102.7 Å²	102.7	27%	0.268	61%	0.61	S	S	.	*	H	α-helix	trans	-55.3	-33.2	-165.5	0	0	0	0	0	114.3	L17 L18 R19	G15-L17 PolarHBondContact O-N 2.74Å; G15-L18 PolarHBondContact O-N 3.01Å; G15-R19 WeakPolarHBondContact O-CG 3.44Å; G15-R19 PolarHBondContact O-N 3.26Å
16	F	51.7	Low	40.6	Very low	2 Å²	2	101.4 Å²	101.4	1%	0.009	59%	0.592	C	S	.	*	H	α-helix	trans	-60.5	-37.3	176.9	65.5	-99.7	0	0	0	114	P14 R19 L20 L224 F225 F233 Y237 L253	P14-F16 HydrophobicContact CB-CD1 3.76Å; P14-F16 HydrophobicContact CB-CE1 3.42Å; P14-F16 VanDerWaalsContact CB-CE1 3.42Å; P14-F16 HydrophobicContact CB-CZ 4.06Å; P14-F16 HydrophobicContact CG-CD1 4.06Å; P14-F16 HydrophobicContact CG-CE1 3.4Å; P14-F16 VanDerWaalsContact CG-CE1 3.4Å; P14-F16 HydrophobicContact CG-CE2 4.2Å; P14-F16 HydrophobicContact CG-CZ 3.48Å; P14-F16 VanDerWaalsContact CG-CZ 3.48Å; P14-F16 PolarHBondContact O-N 3.31Å; F16-R19 PolarHBondContact O-N 3.44Å; F16-L20 WeakPolarHBondContact O-CG 3.37Å; F16-L20 PolarHBondContact O-N 3.39Å; F16-L20 VanDerWaalsContact O-N 3.08Å; F16-L224 VanDerWaalsContact CB-O 3.24Å; F16-L224 WeakPolarHBondContact CB-O 3.35Å; F16-F225 HydrophobicContact CB-CD1 4.44Å; F16-F225 HydrophobicContact CB-CE1 4.3Å; F16-F225 HydrophobicContact CD2-CE1 4.25Å; F16-F225 HydrophobicContact CG-CE1 4.31Å; F16-F233 HydrophobicContact CE1-CD2 4.49Å; F16-F233 HydrophobicContact CZ-CD2 4.2Å; F16-Y237 HydrophobicContact CZ-CE2 4.5Å; F16-L253 HydrophobicContact CD2-CD1 3.71Å; F16-L253 HydrophobicContact CE2-CD1 3.41Å; F16-L253 VanDerWaalsContact CE2-CD1 3.41Å
17	L	48.1	Very low	41.4	Very low	31 Å²	31	105.2 Å²	105.2	16%	0.162	59%	0.591	C	S	.	*	H	α-helix	trans	-70.9	-34.7	179.8	-69.1	176.6	0	0	0	112.4	P14 G15 L20 H21 L253	P14-L17 HydrophobicContact CG-CD1 4.03Å; P14-L17 HydrophobicContact CG-CG 4.32Å; P14-L17 PolarHBondContact O-N 3.05Å; G15-L17 PolarHBondContact O-N 2.74Å; L17-L20 HydrophobicContact CD2-CD1 4.44Å; L17-H21 PolarHBondContact O-CD2 3.43Å; L17-L253 HydrophobicContact CD2-CD1 4.14Å
18	L	46.8	Very low	42.6	Very low	112 Å²	112	100 Å²	100	59%	0.586	56%	0.563	S	S	*	*	H	α-helix	trans	-69.8	-38.6	176.2	-85.7	133.1	0	0	0	112	A13 G15 H21	A13-L18 HydrophobicContact CB-CD1 4.14Å; G15-L18 PolarHBondContact O-N 3.01Å; L18-H21 PolarHBondContact O-N 2.76Å
19	R	50.6	Low	43.9	Very low	100 Å²	100	97.3 Å²	97.3	38%	0.377	55%	0.546	S	S	.	.	H	α-helix	trans	-69.4	-36.8	177.5	-66.9	174.7	-143.3	161.6	13.3	112.4	G15 F16 H21 T22 D223 L224 E229	G15-R19 WeakPolarHBondContact O-CG 3.44Å; G15-R19 PolarHBondContact O-N 3.26Å; F16-R19 PolarHBondContact O-N 3.44Å; R19-H21 PolarHBondContact O-N 3.19Å; R19-H21 VanDerWaalsContact O-N 3.16Å; R19-T22 PolarHBondContact O-N 2.99Å; R19-T22 PolarHBondContact O-OG1 3.31Å; R19-D223 PolarHBondContact NH1-O 2.91Å; R19-L224 HydrophobicContact CB-CD2 3.47Å; R19-L224 VanDerWaalsContact CB-CD2 3.47Å; R19-E229 IonicContact NH2-OE1 2.76Å
20	L	49	Very low	45.5	Very low	54 Å²	54	96 Å²	96	28%	0.283	54%	0.542	S	S	.	.	H	α-helix	trans	-59.7	-23.7	175.5	-85.1	163.9	0	0	0	114.5	F16 L17 L224 L253 F257	F16-L20 WeakPolarHBondContact O-CG 3.37Å; F16-L20 PolarHBondContact O-N 3.39Å; F16-L20 VanDerWaalsContact O-N 3.08Å; L17-L20 HydrophobicContact CD2-CD1 4.44Å; L20-L224 HydrophobicContact CG-CD2 4.02Å; L20-L253 HydrophobicContact CD1-CD1 4.31Å; L20-L253 HydrophobicContact CD1-CG 4.14Å; L20-F257 HydrophobicContact CD2-CE2 4.07Å; L20-F257 HydrophobicContact CD2-CZ 4.16Å
21	H	44.2	Very low	47.2	Very low	173 Å²	173	92 Å²	92	80%	0.801	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.2	-179.3	-83.8	-63.8	0	0	0	114.5	L17 L18 R19	L17-H21 PolarHBondContact O-CD2 3.43Å; L18-H21 PolarHBondContact O-N 2.76Å; R19-H21 PolarHBondContact O-N 3.19Å; R19-H21 VanDerWaalsContact O-N 3.16Å
22	T	40.7	Very low	49	Very low	114 Å²	114	94.5 Å²	94.5	70%	0.699	49%	0.493	S	S	*	.	S	Bend	trans	-97.3	-10.9	-172.7	35.9	0	0	0	0	116	R19	R19-T22 PolarHBondContact O-N 2.99Å; R19-T22 PolarHBondContact O-OG1 3.31Å
23	E	43.6	Very low	50.4	Low	124 Å²	124	87.2 Å²	87.2	58%	0.579	46%	0.459	S	S	*	.			trans	-93.7	116.5	-176.9	-66	-171.9	159.4	0	0	113	N65	E23-N65 PolarHBondContact OE2-ND2 2.95Å
24	G	38.6	Very low	51.5	Low	78 Å²	78	90.8 Å²	90.8	80%	0.804	47%	0.467	S	S	*	.			trans	-73.3	131.4	177.5	0	0	0	0	0	112.2	A26	G24-A26 PolarHBondContact O-N 2.88Å
25	R	44.1	Very low	52.6	Low	230 Å²	230	91.6 Å²	91.6	87%	0.868	47%	0.469	S	S	*	.			trans	-72.2	114.2	-177.9	-63.6	177.7	-178.6	179.1	-1.1	111.7
26	A	40.8	Very low	53.6	Low	55 Å²	55	90.3 Å²	90.3	46%	0.455	46%	0.457	S	S	.	.			trans	-78.2	131	158.8	0	0	0	0	0	109.7	G24	G24-A26 PolarHBondContact O-N 2.88Å
27	E	43.5	Very low	54.4	Low	185 Å²	185	95 Å²	95	86%	0.864	47%	0.474	S	S	*	.			trans	-85.3	115.8	171.8	-78.8	-167.4	134.6	0	0	110.6
28	A	52	Low	55.3	Low	28 Å²	28	100.9 Å²	100.9	23%	0.231	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-72.4	136	168.9	0	0	0	0	0	110.3	R30 Q59	A28-R30 PolarHBondContact O-N 3.34Å; A28-Q59 HydrophobicContact CB-CB 4.04Å; A28-Q59 HydrophobicContact CB-CG 4.27Å
29	A	56.2	Low	56.4	Low	50 Å²	50	99.2 Å²	99.2	41%	0.413	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-63.6	131.1	175.2	0	0	0	0	0	111	V31	A29-V31 PolarHBondContact O-N 3.19Å
30	R	63.1	Low	57.1	Low	225 Å²	225	95.9 Å²	95.9	85%	0.849	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-57.1	123.5	178.1	-74.1	-179.2	175.1	174.7	-2.4	111.4	A28 N55	A28-R30 PolarHBondContact O-N 3.34Å; R30-N55 WeakPolarHBondContact CA-OD1 3.26Å
31	V	66.6	Low	58.3	Low	6 Å²	6	93.9 Å²	93.9	4%	0.036	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-79.6	129	173.1	-172.2	0	0	0	0	109.5	A29 L36 W39 N55 Y87	A29-V31 PolarHBondContact O-N 3.19Å; V31-L36 HydrophobicContact CG1-CD1 4.07Å; V31-L36 HydrophobicContact CG1-CD2 4.08Å; V31-L36 HydrophobicContact CG1-CG 3.77Å; V31-W39 HydrophobicContact CG1-CZ3 4.3Å; V31-N55 PolarHBondContact N-OD1 2.97Å; V31-N55 PolarHBondContact O-ND2 3.05Å; V31-N55 VanDerWaalsContact O-ND2 3.11Å; V31-Y87 HydrophobicContact CG1-CD2 4.19Å; V31-Y87 HydrophobicContact CG2-CD2 3.58Å; V31-Y87 HydrophobicContact CG2-CE2 3.33Å
32	Q	72.7	Confident	59.6	Low	118 Å²	118	88.6 Å²	88.6	55%	0.551	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-100.1	156.6	170.7	-56.5	-167.3	22.9	0	0	111	Q34 D35 L36	Q32-Q34 PolarHBondContact O-N 2.78Å; Q32-D35 PolarHBondContact N-OD2 3.19Å; Q32-D35 PolarHBondContact O-N 3.17Å; Q32-D35 VanDerWaalsContact O-N 3.13Å; Q32-L36 PolarHBondContact O-N 2.86Å
33	E	66.7	Low	60.8	Low	42 Å²	42	85.9 Å²	85.9	20%	0.196	45%	0.448	C	S	.	.	H	α-helix	trans	-60.3	-29.7	176.9	-160.9	-167.7	171.9	0	0	112.2	D35 L36 R37 H45 L46 L51	E33-D35 VanDerWaalsContact C-N 3.34Å; E33-D35 PolarHBondContact O-N 3.13Å; E33-L36 PolarHBondContact O-N 2.93Å; E33-R37 VanDerWaalsContact O-CG 3.32Å; E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 2.91Å; E33-R37 IonicContact OE1-NE 2.78Å; E33-R37 PolarHBondContact OE1-NE 3.11Å; E33-R37 IonicContact OE1-NH2 3.37Å; E33-R37 PolarHBondContact OE1-NH2 3.25Å; E33-H45 VanDerWaalsContact OE1-CA 3.31Å; E33-H45 WeakPolarHBondContact OE1-CA 3.48Å; E33-H45 IonicContact OE1-CG 2.82Å; E33-H45 IonicContact OE1-ND1 3.57Å; E33-H45 PolarHBondContact OE1-ND1 3.09Å; E33-H45 IonicContact OE2-ND1 3.44Å; E33-L46 PolarHBondContact OE1-N 2.73Å; E33-L51 HydrophobicContact CB-CD1 4.08Å; E33-L51 HydrophobicContact CB-CD2 4.02Å; E33-L51 HydrophobicContact CG-CD2 4.27Å
34	Q	65.7	Low	62.2	Low	129 Å²	129	82.3 Å²	82.3	60%	0.603	43%	0.432	S	S	*	.	H	α-helix	trans	-64.3	-38.5	177.5	-60.3	-173.6	12.7	0	0	111.9	Q32 R37 Q38	Q32-Q34 PolarHBondContact O-N 2.78Å; Q34-R37 PolarHBondContact O-N 2.97Å; Q34-Q38 WeakPolarHBondContact O-CG 3.39Å; Q34-Q38 PolarHBondContact O-N 3.23Å; Q34-Q38 VanDerWaalsContact O-N 3.09Å
35	D	71.5	Confident	64	Low	41 Å²	41	85.1 Å²	85.1	22%	0.219	42%	0.424	C	S	.	.	H	α-helix	trans	-66.7	-47.1	178.7	-45.4	-38	0	0	0	110.2	Q32 E33 R37 Q38 W39	Q32-D35 PolarHBondContact N-OD2 3.19Å; Q32-D35 PolarHBondContact O-N 3.17Å; Q32-D35 VanDerWaalsContact O-N 3.13Å; E33-D35 VanDerWaalsContact C-N 3.34Å; E33-D35 PolarHBondContact O-N 3.13Å; D35-R37 VanDerWaalsContact C-N 3.27Å; D35-R37 PolarHBondContact O-N 3.13Å; D35-Q38 WeakPolarHBondContact O-CB 3.37Å; D35-Q38 PolarHBondContact O-N 2.99Å; D35-Q38 VanDerWaalsContact O-N 3.09Å; D35-W39 HydrophobicContact CB-CD2 4.49Å; D35-W39 HydrophobicContact CB-CE3 4.02Å; D35-W39 HydrophobicContact CB-CH2 3.52Å; D35-W39 HydrophobicContact CB-CZ2 4.06Å; D35-W39 HydrophobicContact CB-CZ3 3.5Å; D35-W39 VanDerWaalsContact CB-CZ3 3.5Å; D35-W39 VanDerWaalsContact O-CD2 3.25Å; D35-W39 PolarHBondContact O-N 3.46Å
36	L	69.8	Low	65.8	Low	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-37.1	177.2	-69	170.1	0	0	0	112.4	V31 Q32 E33 W39 G40 L41 L46 L51 A83 I86	V31-L36 HydrophobicContact CG1-CD1 4.07Å; V31-L36 HydrophobicContact CG1-CD2 4.08Å; V31-L36 HydrophobicContact CG1-CG 3.77Å; Q32-L36 PolarHBondContact O-N 2.86Å; E33-L36 PolarHBondContact O-N 2.93Å; L36-W39 HydrophobicContact CD2-CE3 4.3Å; L36-W39 CarbonylContact O-C 3.54Å; L36-W39 PolarHBondContact O-N 2.9Å; L36-G40 PolarHBondContact O-N 3.4Å; L36-L41 HydrophobicContact CB-CB 4.19Å; L36-L41 HydrophobicContact CB-CD2 4.03Å; L36-L41 WeakPolarHBondContact O-CB 3.41Å; L36-L41 PolarHBondContact O-N 3.38Å; L36-L46 HydrophobicContact CD1-CD1 3.76Å; L36-L51 HydrophobicContact CD1-CD2 4.03Å; L36-A83 HydrophobicContact CD1-CB 4.47Å; L36-I86 HydrophobicContact CD2-CG2 4.38Å
37	R	69	Low	67.8	Low	101 Å²	101	75.7 Å²	75.7	38%	0.381	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-41.1	174.7	-72.8	168.8	-178.7	-120.7	-15.1	112.4	E33 Q34 D35 W39 G40 H45	E33-R37 VanDerWaalsContact O-CG 3.32Å; E33-R37 WeakPolarHBondContact O-CG 3.26Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 2.91Å; E33-R37 IonicContact OE1-NE 2.78Å; E33-R37 PolarHBondContact OE1-NE 3.11Å; E33-R37 IonicContact OE1-NH2 3.37Å; E33-R37 PolarHBondContact OE1-NH2 3.25Å; Q34-R37 PolarHBondContact O-N 2.97Å; D35-R37 VanDerWaalsContact C-N 3.27Å; D35-R37 PolarHBondContact O-N 3.13Å; R37-W39 VanDerWaalsContact C-N 3.26Å; R37-W39 PolarHBondContact O-N 3.48Å; R37-G40 PolarHBondContact O-N 3.15Å; R37-G40 VanDerWaalsContact O-N 3.16Å; R37-H45 PolarHBondContact NH2-CD2 3.09Å; R37-H45 PolarHBondContact NH2-CE1 3.44Å; R37-H45 PolarHBondContact NH2-ND1 3.16Å; R37-H45 PolarHBondContact NH2-NE2 3.1Å
38	Q	66.9	Low	69.7	Low	153 Å²	153	71 Å²	71	72%	0.715	37%	0.366	S	S	*	.	H	α-helix	trans	-63.9	-34	175	-70.3	174.6	25.7	0	0	111.7	Q34 D35 G40	Q34-Q38 WeakPolarHBondContact O-CG 3.39Å; Q34-Q38 PolarHBondContact O-N 3.23Å; Q34-Q38 VanDerWaalsContact O-N 3.09Å; D35-Q38 WeakPolarHBondContact O-CB 3.37Å; D35-Q38 PolarHBondContact O-N 2.99Å; D35-Q38 VanDerWaalsContact O-N 3.09Å; Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 3.08Å
39	W	68.4	Low	71.2	Confident	77 Å²	77	69.9 Å²	69.9	29%	0.292	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.7	175	-58.7	-37.4	0	0	0	114.8	V31 D35 L36 R37 I86 Y87 G90 R91	V31-W39 HydrophobicContact CG1-CZ3 4.3Å; D35-W39 HydrophobicContact CB-CD2 4.49Å; D35-W39 HydrophobicContact CB-CE3 4.02Å; D35-W39 HydrophobicContact CB-CH2 3.52Å; D35-W39 HydrophobicContact CB-CZ2 4.06Å; D35-W39 HydrophobicContact CB-CZ3 3.5Å; D35-W39 VanDerWaalsContact CB-CZ3 3.5Å; D35-W39 VanDerWaalsContact O-CD2 3.25Å; D35-W39 PolarHBondContact O-N 3.46Å; L36-W39 HydrophobicContact CD2-CE3 4.3Å; L36-W39 CarbonylContact O-C 3.54Å; L36-W39 PolarHBondContact O-N 2.9Å; R37-W39 VanDerWaalsContact C-N 3.26Å; R37-W39 PolarHBondContact O-N 3.48Å; W39-I86 HydrophobicContact CB-CG2 3.75Å; W39-Y87 HydrophobicContact CH2-CD2 4.41Å; W39-Y87 AromaticContact CZ3-CD2 3.8Å; W39-Y87 HydrophobicContact CZ3-CD2 3.8Å; W39-Y87 HydrophobicContact CZ3-CE2 4.42Å; W39-G90 PolarHBondContact NE1-O 3Å; W39-R91 HydrophobicContact CH2-CB 3.9Å; W39-R91 HydrophobicContact CH2-CG 4.13Å; W39-R91 HydrophobicContact CZ2-CB 3.89Å; W39-R91 HydrophobicContact CZ2-CG 4.13Å; W39-R91 HydrophobicContact CZ3-CB 4.35Å
40	G	66.6	Low	72.7	Confident	31 Å²	31	68.1 Å²	68.1	32%	0.32	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	107	12.2	169.1	0	0	0	0	0	116.7	L36 R37 Q38 T42	L36-G40 PolarHBondContact O-N 3.4Å; R37-G40 PolarHBondContact O-N 3.15Å; R37-G40 VanDerWaalsContact O-N 3.16Å; Q38-G40 VanDerWaalsContact C-N 3.28Å; Q38-G40 PolarHBondContact O-N 3.08Å; G40-T42 PolarHBondContact O-N 2.72Å
41	L	74.2	Confident	73.8	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.063	31%	0.306	C	S	.	.			trans	-65.5	114.9	169.3	-176.5	70.4	0	0	0	110.6	L36 L46 I86 F117	L36-L41 HydrophobicContact CB-CB 4.19Å; L36-L41 HydrophobicContact CB-CD2 4.03Å; L36-L41 WeakPolarHBondContact O-CB 3.41Å; L36-L41 PolarHBondContact O-N 3.38Å; L41-L46 HydrophobicContact CD2-CD1 3.78Å; L41-L46 HydrophobicContact CD2-CG 4.05Å; L41-I86 HydrophobicContact CB-CD1 3.98Å; L41-I86 HydrophobicContact CD1-CD1 3.61Å; L41-I86 HydrophobicContact CG-CD1 4.42Å; L41-F117 WeakPolarHBondContact CA-O 3.28Å; L41-F117 HydrophobicContact CD1-CB 4.29Å
42	T	71.3	Confident	74.6	Confident	61 Å²	61	64.4 Å²	64.4	37%	0.374	33%	0.331	S	S	.	.			trans	-120	153.8	-179	54.6	0	0	0	0	113.7	G40 I44 R116 F117 P119	G40-T42 PolarHBondContact O-N 2.72Å; T42-I44 VanDerWaalsContact C-N 3.32Å; T42-I44 PolarHBondContact O-N 3.47Å; T42-R116 PolarHBondContact OG1-O 3.11Å; T42-R116 VanDerWaalsContact OG1-O 3.06Å; T42-F117 PolarHBondContact N-O 3.43Å; T42-F117 WeakPolarHBondContact O-CA 3.49Å; T42-P119 HydrophobicContact CG2-CG 4.45Å; T42-P119 WeakPolarHBondContact OG1-CD 3.42Å; T42-P119 WeakPolarHBondContact OG1-CG 3.41Å
43	G	65.4	Low	75.4	Confident	58 Å²	58	58.8 Å²	58.8	60%	0.598	31%	0.305	S	S	*	.	S	Bend	trans	74.9	3	164.5	0	0	0	0	0	118	R116	G43-R116 PolarHBondContact O-NH2 2.99Å
44	I	72.8	Confident	76.4	Confident	48 Å²	48	56.9 Å²	56.9	25%	0.246	30%	0.296	C	S	.	.			trans	-143	146.7	173.8	-84.2	-165.5	0	0	0	111.6	T42 L46 F117	T42-I44 VanDerWaalsContact C-N 3.32Å; T42-I44 PolarHBondContact O-N 3.47Å; I44-L46 HydrophobicContact CG2-CD2 4.29Å; I44-F117 HydrophobicContact CB-CD1 4.33Å; I44-F117 HydrophobicContact CB-CE1 4.32Å; I44-F117 HydrophobicContact CD1-CD1 3.98Å; I44-F117 HydrophobicContact CD1-CE1 3.21Å; I44-F117 HydrophobicContact CD1-CE2 4.02Å; I44-F117 HydrophobicContact CD1-CZ 3.25Å; I44-F117 HydrophobicContact CG1-CD1 3.97Å; I44-F117 HydrophobicContact CG1-CE1 3.48Å; I44-F117 VanDerWaalsContact CG1-CE1 3.48Å; I44-F117 HydrophobicContact CG1-CZ 4.07Å
45	H	77.3	Confident	77.4	Confident	138 Å²	138	52.6 Å²	52.6	64%	0.639	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-94.8	126.9	158.2	-84.9	-103.1	0	0	0	109.5	E33 R37	E33-H45 VanDerWaalsContact OE1-CA 3.31Å; E33-H45 WeakPolarHBondContact OE1-CA 3.48Å; E33-H45 IonicContact OE1-CG 2.82Å; E33-H45 IonicContact OE1-ND1 3.57Å; E33-H45 PolarHBondContact OE1-ND1 3.09Å; E33-H45 IonicContact OE2-ND1 3.44Å; R37-H45 PolarHBondContact NH2-CD2 3.09Å; R37-H45 PolarHBondContact NH2-CE1 3.44Å; R37-H45 PolarHBondContact NH2-ND1 3.16Å; R37-H45 PolarHBondContact NH2-NE2 3.1Å
46	L	80.9	Confident	78.1	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-78.9	134.4	176	-69.6	172.9	0	0	0	110.3	E33 L36 L41 I44 Q50 L51 C79 A83	E33-L46 PolarHBondContact OE1-N 2.73Å; L36-L46 HydrophobicContact CD1-CD1 3.76Å; L41-L46 HydrophobicContact CD2-CD1 3.78Å; L41-L46 HydrophobicContact CD2-CG 4.05Å; I44-L46 HydrophobicContact CG2-CD2 4.29Å; L46-Q50 HydrophobicContact CB-CB 4.34Å; L46-Q50 HydrophobicContact CD2-CB 4.21Å; L46-L51 HydrophobicContact CB-CD2 3.89Å; L46-L51 HydrophobicContact CB-CG 3.9Å; L46-L51 HydrophobicContact CD1-CD2 3.8Å; L46-C79 HydrophobicContact CD2-CB 4.48Å; L46-A83 HydrophobicContact CD1-CB 3.97Å
47	R	83.1	Confident	79	Confident	75 Å²	75	52.4 Å²	52.4	28%	0.283	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-69.2	156.9	174.4	-64.5	178	172.6	-103.2	-12.3	110.4	Y49 Q50 L51 E269	R47-Y49 HydrophobicContact CB-CD1 3.88Å; R47-Y49 HydrophobicContact CB-CE1 3.65Å; R47-Y49 HydrophobicContact CG-CE1 4.24Å; R47-Y49 PolarHBondContact O-N 3.4Å; R47-Q50 HydrophobicContact CB-CG 4.14Å; R47-Q50 WeakPolarHBondContact O-CA 3.46Å; R47-Q50 WeakPolarHBondContact O-CB 3.49Å; R47-Q50 PolarHBondContact O-N 3.5Å; R47-L51 PolarHBondContact O-N 3.29Å; R47-E269 IonicContact CZ-OE2 2.74Å; R47-E269 IonicContact NH1-OE2 3.34Å; R47-E269 PolarHBondContact NH1-OE2 2.9Å; R47-E269 IonicContact NH2-OE2 3.17Å; R47-E269 PolarHBondContact NH2-OE2 3.41Å
48	S	82.6	Confident	79.7	Confident	87 Å²	87	47.7 Å²	47.7	61%	0.608	26%	0.256	S	S	*	.	H	α-helix	trans	-48.9	-52.3	-180	49.2	0	0	0	0	112.9	Q50 L51 E52	S48-Q50 VanDerWaalsContact C-N 3.27Å; S48-Q50 PolarHBondContact O-N 3.06Å; S48-L51 WeakPolarHBondContact O-CB 3.32Å; S48-L51 PolarHBondContact O-N 3.23Å; S48-L51 VanDerWaalsContact O-N 3.15Å; S48-E52 PolarHBondContact O-N 2.99Å
49	Y	85.2	Confident	80.6	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-30.7	177.4	77.6	-94.8	0	0	0	112.7	R47 E52 G53 L75 R261 V266 I458	R47-Y49 HydrophobicContact CB-CD1 3.88Å; R47-Y49 HydrophobicContact CB-CE1 3.65Å; R47-Y49 HydrophobicContact CG-CE1 4.24Å; R47-Y49 PolarHBondContact O-N 3.4Å; Y49-E52 PolarHBondContact O-N 2.91Å; Y49-G53 PolarHBondContact O-N 3.47Å; Y49-L75 HydrophobicContact CE2-CB 4.01Å; Y49-L75 HydrophobicContact CE2-CD2 4.44Å; Y49-L75 WeakPolarHBondContact CE2-O 3.47Å; Y49-L75 PolarHBondContact OH-O 3.13Å; Y49-R261 PolarHBondContact O-NH1 2.96Å; Y49-V266 HydrophobicContact CD1-CB 3.6Å; Y49-V266 HydrophobicContact CD1-CG1 4.41Å; Y49-V266 HydrophobicContact CD1-CG2 3.89Å; Y49-V266 HydrophobicContact CD2-CB 4.39Å; Y49-V266 HydrophobicContact CD2-CG2 4.25Å; Y49-V266 HydrophobicContact CE1-CB 4.11Å; Y49-V266 HydrophobicContact CE1-CG2 3.91Å; Y49-V266 HydrophobicContact CE2-CG2 4.31Å; Y49-V266 HydrophobicContact CG-CB 3.76Å; Y49-V266 HydrophobicContact CG-CG1 4.1Å; Y49-V266 HydrophobicContact CG-CG2 4.07Å; Y49-I458 WeakPolarHBondContact OH-CD1 3.42Å
50	Q	86.7	Confident	81.4	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-39.4	176.7	-62.7	176.7	-37.3	0	0	110.6	L46 R47 S48 G53 V54 L75 Q80	L46-Q50 HydrophobicContact CB-CB 4.34Å; L46-Q50 HydrophobicContact CD2-CB 4.21Å; R47-Q50 HydrophobicContact CB-CG 4.14Å; R47-Q50 WeakPolarHBondContact O-CA 3.46Å; R47-Q50 WeakPolarHBondContact O-CB 3.49Å; R47-Q50 PolarHBondContact O-N 3.5Å; S48-Q50 VanDerWaalsContact C-N 3.27Å; S48-Q50 PolarHBondContact O-N 3.06Å; Q50-G53 PolarHBondContact O-N 3.46Å; Q50-V54 WeakPolarHBondContact O-CG2 3.18Å; Q50-V54 PolarHBondContact O-N 3.04Å; Q50-L75 PolarHBondContact NE2-O 3.04Å; Q50-Q80 HydrophobicContact CB-CG 4.02Å; Q50-Q80 HydrophobicContact CG-CG 4.25Å
51	L	85.5	Confident	82.1	Confident	32 Å²	32	41.5 Å²	41.5	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-41.3	172.7	-67.1	167.5	0	0	0	111.7	E33 L36 L46 R47 S48 G53 V54 N55	E33-L51 HydrophobicContact CB-CD1 4.08Å; E33-L51 HydrophobicContact CB-CD2 4.02Å; E33-L51 HydrophobicContact CG-CD2 4.27Å; L36-L51 HydrophobicContact CD1-CD2 4.03Å; L46-L51 HydrophobicContact CB-CD2 3.89Å; L46-L51 HydrophobicContact CB-CG 3.9Å; L46-L51 HydrophobicContact CD1-CD2 3.8Å; R47-L51 PolarHBondContact O-N 3.29Å; S48-L51 WeakPolarHBondContact O-CB 3.32Å; S48-L51 PolarHBondContact O-N 3.23Å; S48-L51 VanDerWaalsContact O-N 3.15Å; L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 2.92Å; L51-V54 PolarHBondContact O-N 3.24Å; L51-N55 WeakPolarHBondContact O-CB 3.47Å; L51-N55 PolarHBondContact O-N 3.39Å; L51-N55 PolarHBondContact O-ND2 3.49Å
52	E	85.5	Confident	82.3	Confident	122 Å²	122	44.5 Å²	44.5	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-61	-39.6	172.7	-70	169.2	-179.5	0	0	112.1	S48 Y49 N55 W56	S48-E52 PolarHBondContact O-N 2.99Å; Y49-E52 PolarHBondContact O-N 2.91Å; E52-N55 PolarHBondContact O-N 3.24Å; E52-W56 WeakPolarHBondContact O-CB 3.47Å; E52-W56 PolarHBondContact O-N 2.89Å
53	G	87.6	Confident	82.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-43.6	176.8	0	0	0	0	0	112.8	Y49 Q50 L51 N55 W56 L57	Y49-G53 PolarHBondContact O-N 3.47Å; Q50-G53 PolarHBondContact O-N 3.46Å; L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 2.92Å; G53-N55 VanDerWaalsContact C-N 3.33Å; G53-N55 PolarHBondContact O-N 3.32Å; G53-W56 PolarHBondContact O-N 2.96Å; G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.2Å; G53-L57 PolarHBondContact O-N 3.23Å
54	V	87.7	Confident	83.2	Confident	1 Å²	1	47 Å²	47	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-40.1	173.5	174.9	0	0	0	0	111.2	Q50 L51 L57 A58 Q80 A83	Q50-V54 WeakPolarHBondContact O-CG2 3.18Å; Q50-V54 PolarHBondContact O-N 3.04Å; L51-V54 PolarHBondContact O-N 3.24Å; V54-L57 PolarHBondContact O-N 2.96Å; V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.15Å; V54-Q80 HydrophobicContact CG2-CB 4.26Å; V54-Q80 HydrophobicContact CG2-CG 4.46Å; V54-A83 HydrophobicContact CG1-CB 4.39Å; V54-A83 HydrophobicContact CG2-CB 3.66Å
55	N	86.6	Confident	83.6	Confident	39 Å²	39	45.4 Å²	45.4	21%	0.209	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.8	-86.3	-70.9	0	0	0	112.5	R30 V31 L51 E52 G53 A58 Q59	R30-N55 WeakPolarHBondContact CA-OD1 3.26Å; V31-N55 PolarHBondContact N-OD1 2.97Å; V31-N55 PolarHBondContact O-ND2 3.05Å; V31-N55 VanDerWaalsContact O-ND2 3.11Å; L51-N55 WeakPolarHBondContact O-CB 3.47Å; L51-N55 PolarHBondContact O-N 3.39Å; L51-N55 PolarHBondContact O-ND2 3.49Å; E52-N55 PolarHBondContact O-N 3.24Å; G53-N55 VanDerWaalsContact C-N 3.33Å; G53-N55 PolarHBondContact O-N 3.32Å; N55-A58 PolarHBondContact O-N 3.19Å; N55-Q59 PolarHBondContact O-N 2.87Å
56	W	87.9	Confident	83.8	Confident	38 Å²	38	39 Å²	39	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-44.4	175.4	-179.5	92	0	0	0	111.7	E52 G53 Q59 R60 C67 P256 L259	E52-W56 WeakPolarHBondContact O-CB 3.47Å; E52-W56 PolarHBondContact O-N 2.89Å; G53-W56 PolarHBondContact O-N 2.96Å; W56-Q59 PolarHBondContact O-N 3.45Å; W56-R60 HydrophobicContact CD2-CG 4.27Å; W56-R60 HydrophobicContact CE3-CG 4.36Å; W56-R60 HydrophobicContact CH2-CG 4.38Å; W56-R60 HydrophobicContact CZ2-CG 4.28Å; W56-R60 HydrophobicContact CZ3-CG 4.42Å; W56-R60 WeakPolarHBondContact O-CG 3.43Å; W56-R60 PolarHBondContact O-N 2.87Å; W56-C67 HydrophobicContact CH2-CB 3.76Å; W56-C67 HydrophobicContact CZ3-CB 3.8Å; W56-P256 VanDerWaalsContact CZ2-O 3.31Å; W56-P256 WeakPolarHBondContact CZ2-O 3.17Å; W56-L259 HydrophobicContact CB-CD2 4.21Å; W56-L259 HydrophobicContact CD2-CB 3.92Å; W56-L259 HydrophobicContact CD2-CD2 3.97Å; W56-L259 HydrophobicContact CD2-CG 4.44Å; W56-L259 HydrophobicContact CE3-CB 3.78Å; W56-L259 HydrophobicContact CE3-CD2 3.85Å; W56-L259 HydrophobicContact CE3-CG 4.45Å; W56-L259 HydrophobicContact CG-CD2 4.15Å; W56-L259 HydrophobicContact CH2-CB 3.71Å; W56-L259 HydrophobicContact CZ2-CB 3.85Å; W56-L259 HydrophobicContact CZ3-CB 3.68Å; W56-L259 HydrophobicContact CZ3-CD2 4.5Å
57	L	87.8	Confident	84.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-44	175.3	-71.4	171.4	0	0	0	112.1	G53 V54 Q59 R60 F61 C67 L84 L199	G53-L57 VanDerWaalsContact O-CG 3.3Å; G53-L57 WeakPolarHBondContact O-CG 3.2Å; G53-L57 PolarHBondContact O-N 3.23Å; V54-L57 PolarHBondContact O-N 2.96Å; L57-Q59 VanDerWaalsContact C-N 3.33Å; L57-Q59 PolarHBondContact O-N 3.35Å; L57-R60 PolarHBondContact O-N 3.08Å; L57-F61 PolarHBondContact O-N 3.33Å; L57-C67 VanDerWaalsContact CD2-SG 3.53Å; L57-L84 HydrophobicContact CB-CD1 4.02Å; L57-L84 HydrophobicContact CB-CD2 4.14Å; L57-L84 HydrophobicContact CD1-CD2 4.45Å; L57-L199 HydrophobicContact CD2-CD1 3.81Å; L57-L199 HydrophobicContact CD2-CD2 4.48Å
58	A	84.7	Confident	84.5	Confident	1 Å²	1	35 Å²	35	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-40	176	0	0	0	0	0	111.8	V54 N55 F61 H62 Y87	V54-A58 WeakPolarHBondContact O-CB 3.44Å; V54-A58 PolarHBondContact O-N 3.15Å; N55-A58 PolarHBondContact O-N 3.19Å; A58-F61 PolarHBondContact O-N 3.13Å; A58-H62 PolarHBondContact O-CD2 3.48Å; A58-H62 PolarHBondContact O-N 3.15Å; A58-H62 VanDerWaalsContact O-N 3.14Å; A58-Y87 HydrophobicContact CB-CD1 4.05Å; A58-Y87 HydrophobicContact CB-CE1 3.61Å
59	Q	84.2	Confident	84.8	Confident	61 Å²	61	30.9 Å²	30.9	29%	0.285	15%	0.147	S	C	.	.	H	α-helix	trans	-63.2	-42.4	174.1	-172.6	176.3	20	0	0	112.1	A28 N55 W56 L57 H62 C63	A28-Q59 HydrophobicContact CB-CB 4.04Å; A28-Q59 HydrophobicContact CB-CG 4.27Å; N55-Q59 PolarHBondContact O-N 2.87Å; W56-Q59 PolarHBondContact O-N 3.45Å; L57-Q59 VanDerWaalsContact C-N 3.33Å; L57-Q59 PolarHBondContact O-N 3.35Å; Q59-H62 PolarHBondContact O-N 3.13Å; Q59-C63 PolarHBondContact O-N 2.87Å
60	R	85.4	Confident	84.8	Confident	41 Å²	41	30.6 Å²	30.6	16%	0.155	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-42.1	177.2	-66.2	-68.3	151	-157.3	1.8	112.1	W56 L57 H62 C63 Q64 N65 C67 F197 P256	W56-R60 HydrophobicContact CD2-CG 4.27Å; W56-R60 HydrophobicContact CE3-CG 4.36Å; W56-R60 HydrophobicContact CH2-CG 4.38Å; W56-R60 HydrophobicContact CZ2-CG 4.28Å; W56-R60 HydrophobicContact CZ3-CG 4.42Å; W56-R60 WeakPolarHBondContact O-CG 3.43Å; W56-R60 PolarHBondContact O-N 2.87Å; L57-R60 PolarHBondContact O-N 3.08Å; R60-H62 PolarHBondContact O-N 3.29Å; R60-C63 CarbonylContact O-C 3.56Å; R60-C63 PolarHBondContact O-N 2.93Å; R60-C63 VanDerWaalsContact O-N 3.14Å; R60-Q64 PolarHBondContact O-N 3.31Å; R60-N65 PolarHBondContact O-N 2.87Å; R60-C67 HydrophobicContact CB-CB 4.39Å; R60-C67 HydrophobicContact CG-CB 4.33Å; R60-F197 HydrophobicContact CB-CE2 4.03Å; R60-F197 HydrophobicContact CB-CZ 4.35Å; R60-P256 VanDerWaalsContact CD-O 3.3Å; R60-P256 WeakPolarHBondContact CD-O 3.39Å; R60-P256 PolarHBondContact NE-O 2.99Å
61	F	81.9	Confident	84.7	Confident	29 Å²	29	30 Å²	30	13%	0.127	14%	0.144	C	C	.	.	H	α-helix	trans	-58.5	-44.3	175.2	-173.3	-86.9	0	0	0	112.4	L57 A58 C63 Q64 L88 L92 V170 F197	L57-F61 PolarHBondContact O-N 3.33Å; A58-F61 PolarHBondContact O-N 3.13Å; F61-C63 VanDerWaalsContact C-N 3.28Å; F61-C63 PolarHBondContact O-N 3.48Å; F61-Q64 PolarHBondContact O-N 3.44Å; F61-L88 HydrophobicContact CD1-CD2 3.6Å; F61-L88 HydrophobicContact CD2-CD1 4.2Å; F61-L88 HydrophobicContact CD2-CD2 3.94Å; F61-L88 HydrophobicContact CE1-CD2 3.55Å; F61-L88 HydrophobicContact CE2-CD1 3.88Å; F61-L88 HydrophobicContact CE2-CD2 3.89Å; F61-L88 HydrophobicContact CG-CD2 3.81Å; F61-L88 HydrophobicContact CZ-CD1 4.25Å; F61-L88 HydrophobicContact CZ-CD2 3.69Å; F61-L92 HydrophobicContact CD1-CD1 4.05Å; F61-L92 HydrophobicContact CE1-CD1 3.79Å; F61-V170 HydrophobicContact CD2-CG2 4.42Å; F61-V170 HydrophobicContact CE2-CG2 3.89Å; F61-F197 HydrophobicContact CB-CD2 4.32Å; F61-F197 HydrophobicContact CB-CE2 4.08Å; F61-F197 HydrophobicContact CB-CZ 4.26Å; F61-F197 HydrophobicContact CD2-CB 3.8Å; F61-F197 AromaticContact CD2-CD1 3.81Å; F61-F197 HydrophobicContact CD2-CD1 3.81Å; F61-F197 AromaticContact CD2-CD2 3.99Å; F61-F197 HydrophobicContact CD2-CD2 3.99Å; F61-F197 HydrophobicContact CD2-CE1 4.29Å; F61-F197 HydrophobicContact CD2-CE2 4.44Å; F61-F197 AromaticContact CD2-CG 3.62Å; F61-F197 HydrophobicContact CD2-CG 3.62Å; F61-F197 HydrophobicContact CE2-CB 3.91Å; F61-F197 HydrophobicContact CE2-CD1 4.47Å; F61-F197 HydrophobicContact CE2-CG 4.22Å
62	H	79.3	Confident	84.3	Confident	76 Å²	76	30.5 Å²	30.5	35%	0.352	15%	0.145	S	C	.	.	H	α-helix	trans	-64.2	-30.4	176	-78	-64.5	0	0	0	113.7	A58 Q59 R60 Q64 Y87	A58-H62 PolarHBondContact O-CD2 3.48Å; A58-H62 PolarHBondContact O-N 3.15Å; A58-H62 VanDerWaalsContact O-N 3.14Å; Q59-H62 PolarHBondContact O-N 3.13Å; R60-H62 PolarHBondContact O-N 3.29Å; H62-Q64 VanDerWaalsContact C-N 3.29Å; H62-Y87 AromaticContact NE2-CZ 3.98Å; H62-Y87 PolarHBondContact NE2-OH 3.02Å
63	C	78.1	Confident	84	Confident	38 Å²	38	25.8 Å²	25.8	26%	0.257	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.9	173	-65.8	0	0	0	0	113.4	Q59 R60 F61 N65	Q59-C63 PolarHBondContact O-N 2.87Å; R60-C63 CarbonylContact O-C 3.56Å; R60-C63 PolarHBondContact O-N 2.93Å; R60-C63 VanDerWaalsContact O-N 3.14Å; F61-C63 VanDerWaalsContact C-N 3.28Å; F61-C63 PolarHBondContact O-N 3.48Å; C63-N65 WeakPolarHBondContact CB-OD1 3.42Å; C63-N65 PolarHBondContact O-N 3.47Å
64	Q	76.3	Confident	83.4	Confident	134 Å²	134	26.3 Å²	26.3	63%	0.626	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	7.2	-172.1	-61.1	-170.7	-37.2	0	0	115.7	R60 F61 H62	R60-Q64 PolarHBondContact O-N 3.31Å; F61-Q64 PolarHBondContact O-N 3.44Å; H62-Q64 VanDerWaalsContact C-N 3.29Å
65	N	80.8	Confident	83	Confident	14 Å²	14	26.3 Å²	26.3	8%	0.075	13%	0.128	C	C	.	.			trans	-74.8	135.2	175	-52.4	118	0	0	0	110.6	E23 R60 C63 F197 E221 F257	E23-N65 PolarHBondContact OE2-ND2 2.95Å; R60-N65 PolarHBondContact O-N 2.87Å; C63-N65 WeakPolarHBondContact CB-OD1 3.42Å; C63-N65 PolarHBondContact O-N 3.47Å; N65-F197 WeakPolarHBondContact O-CE2 3.38Å; N65-E221 WeakPolarHBondContact CA-OE2 3.5Å; N65-F257 HydrophobicContact CB-CE1 4.27Å
66	G	82.8	Confident	82.9	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	12%	0.121	C	C	.	.			trans	-64.9	166.3	172.1	0	0	0	0	0	112.7	S198 V220 E221	G66-S198 WeakPolarHBondContact CA-O 3.46Å; G66-V220 VanDerWaalsContact CA-CG1 3.46Å; G66-V220 WeakPolarHBondContact O-CG1 3.37Å; G66-E221 PolarHBondContact N-OE2 2.96Å
67	C	89.1	Confident	83	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158	-176.2	63.5	0	0	0	0	115.9	W56 L57 R60 F197 S198 L199 L200	W56-C67 HydrophobicContact CH2-CB 3.76Å; W56-C67 HydrophobicContact CZ3-CB 3.8Å; L57-C67 VanDerWaalsContact CD2-SG 3.53Å; R60-C67 HydrophobicContact CB-CB 4.39Å; R60-C67 HydrophobicContact CG-CB 4.33Å; C67-F197 WeakPolarHBondContact SG-CZ 3.44Å; C67-S198 PolarHBondContact N-O 3.1Å; C67-L199 WeakPolarHBondContact O-CA 3.32Å; C67-L199 VanDerWaalsContact SG-CD1 3.54Å; C67-L200 PolarHBondContact O-N 2.87Å
68	I	89.2	Confident	83	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.2	178.5	-49.9	-178.6	0	0	0	109	G70 L200 T202 L216 L217 V220 F257 L258 L259	I68-G70 PolarHBondContact O-N 3.14Å; I68-L200 CarbonylContact C-O 3.58Å; I68-L200 WeakPolarHBondContact CA-O 3.33Å; I68-L200 HydrophobicContact CG1-CB 4.24Å; I68-L200 HydrophobicContact CG1-CD1 4.32Å; I68-L200 HydrophobicContact CG2-CB 4.31Å; I68-T202 HydrophobicContact CG2-CG2 3.8Å; I68-L216 HydrophobicContact CD1-CB 4.09Å; I68-L217 HydrophobicContact CD1-CD2 4.47Å; I68-V220 HydrophobicContact CD1-CG2 4.22Å; I68-V220 HydrophobicContact CG1-CG2 3.86Å; I68-F257 PolarHBondContact N-O 3.01Å; I68-L258 HydrophobicContact CB-CD1 3.88Å; I68-L258 HydrophobicContact CG2-CD1 3.67Å; I68-L258 WeakPolarHBondContact O-CA 3.46Å; I68-L259 PolarHBondContact O-N 2.96Å
69	L	89.3	Confident	83.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	93.4	171	-170.1	61.9	0	0	0	109.3	D71 K77 Q80 L199 L200 L201 T202 L259	L69-D71 HydrophobicContact CG-CB 4.49Å; L69-K77 HydrophobicContact CB-CD 4.35Å; L69-K77 HydrophobicContact CD2-CB 3.9Å; L69-K77 HydrophobicContact CD2-CD 4.12Å; L69-K77 HydrophobicContact CD2-CG 3.72Å; L69-K77 HydrophobicContact CG-CD 3.91Å; L69-K77 HydrophobicContact CG-CG 3.95Å; L69-K77 WeakPolarHBondContact O-CD 3.46Å; L69-Q80 HydrophobicContact CD2-CB 4.25Å; L69-L199 HydrophobicContact CB-CD1 4.17Å; L69-L200 PolarHBondContact N-O 2.93Å; L69-L201 HydrophobicContact CB-CD2 3.86Å; L69-L201 HydrophobicContact CD2-CD2 4.09Å; L69-T202 PolarHBondContact O-N 3.46Å; L69-L259 HydrophobicContact CD1-CB 4.19Å; L69-L259 HydrophobicContact CD1-CD2 3.93Å; L69-L259 HydrophobicContact CD1-CG 4.21Å
70	G	84.6	Confident	83.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.			trans	-91.6	12.9	-178	0	0	0	0	0	115.5	I68 T202 L259 R260	I68-G70 PolarHBondContact O-N 3.14Å; G70-T202 CarbonylContact C-O 3.54Å; G70-T202 WeakPolarHBondContact CA-O 3.4Å; G70-L259 WeakPolarHBondContact CA-O 3.39Å; G70-L259 PolarHBondContact N-O 3.26Å; G70-R260 WeakPolarHBondContact O-CG 3.41Å
71	D	84.4	Confident	83.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-48	144.1	175.3	-86	-11.5	0	0	0	113	L69 L75 K77 Q80 R261	L69-D71 HydrophobicContact CG-CB 4.49Å; D71-L75 HydrophobicContact CB-CB 4.32Å; D71-L75 HydrophobicContact CB-CD1 4.17Å; D71-K77 HydrophobicContact CB-CD 4.14Å; D71-K77 HydrophobicContact CB-CG 3.9Å; D71-K77 PolarHBondContact O-NZ 3.34Å; D71-Q80 PolarHBondContact OD2-NE2 2.97Å; D71-R261 IonicContact OD1-CZ 3.02Å; D71-R261 PolarHBondContact OD1-N 2.76Å; D71-R261 IonicContact OD1-NE 2.8Å; D71-R261 PolarHBondContact OD1-NE 2.95Å; D71-R261 IonicContact OD1-NH2 2.68Å; D71-R261 PolarHBondContact OD1-NH2 3.24Å; D71-R261 IonicContact OD2-CZ 3.82Å; D71-R261 IonicContact OD2-NE 2.76Å; D71-R261 IonicContact OD2-NH2 3.39Å; D71-R261 PolarHBondContact OD2-NH2 3.14Å
72	E	77.9	Confident	84	Confident	42 Å²	42	19 Å²	19	20%	0.196	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-54.9	150.4	176.6	-154.2	-155.2	126.2	0	0	113	G74 L75 R261 K263	E72-G74 PolarHBondContact O-N 3.46Å; E72-L75 HydrophobicContact CB-CD1 3.95Å; E72-L75 HydrophobicContact CB-CG 4.27Å; E72-L75 PolarHBondContact O-N 3.02Å; E72-R261 PolarHBondContact N-O 2.71Å; E72-K263 WeakPolarHBondContact OE1-CD 3.42Å; E72-K263 WeakPolarHBondContact OE1-CE 3.5Å; E72-K263 IonicContact OE1-NZ 3.46Å; E72-K263 PolarHBondContact OE1-NZ 3.01Å; E72-K263 WeakPolarHBondContact OE2-CB 3.33Å; E72-K263 WeakPolarHBondContact OE2-CG 3.11Å; E72-K263 PolarHBondContact OE2-N 2.84Å
73	M	78	Confident	84.4	Confident	23 Å²	23	15.4 Å²	15.4	11%	0.113	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	119.5	-178.9	-58.8	-156.7	73.3	0	0	111.8	E175 K263 Q450 A453	M73-E175 VanDerWaalsContact CE-OE1 3.29Å; M73-E175 WeakPolarHBondContact CE-OE1 3.29Å; M73-K263 WeakPolarHBondContact O-CE 3.23Å; M73-K263 PolarHBondContact O-NZ 3.29Å; M73-Q450 HydrophobicContact CE-CG 3.79Å; M73-Q450 HydrophobicContact SD-CB 3.82Å; M73-Q450 HydrophobicContact SD-CG 3.58Å; M73-Q450 VanDerWaalsContact SD-CG 3.58Å; M73-A453 HydrophobicContact CB-CB 4.06Å
74	G	74.5	Confident	84.9	Confident	11 Å²	11	13.6 Å²	13.6	11%	0.113	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-6.9	179.5	0	0	0	0	0	115.5	E72 G76 I458	E72-G74 PolarHBondContact O-N 3.46Å; G74-G76 PolarHBondContact O-N 3.03Å; G74-I458 WeakPolarHBondContact O-CD1 3.49Å; G74-I458 WeakPolarHBondContact O-CG1 3.45Å
75	L	81	Confident	85.4	Confident	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-72.2	0.1	176.6	-67.2	-176.9	0	0	0	115	Y49 Q50 D71 E72 R261 K263 V266 I458	Y49-L75 HydrophobicContact CE2-CB 4.01Å; Y49-L75 HydrophobicContact CE2-CD2 4.44Å; Y49-L75 WeakPolarHBondContact CE2-O 3.47Å; Y49-L75 PolarHBondContact OH-O 3.13Å; Q50-L75 PolarHBondContact NE2-O 3.04Å; D71-L75 HydrophobicContact CB-CB 4.32Å; D71-L75 HydrophobicContact CB-CD1 4.17Å; E72-L75 HydrophobicContact CB-CD1 3.95Å; E72-L75 HydrophobicContact CB-CG 4.27Å; E72-L75 PolarHBondContact O-N 3.02Å; L75-R261 HydrophobicContact CD1-CB 4.36Å; L75-R261 WeakPolarHBondContact CD1-O 3.42Å; L75-K263 HydrophobicContact CD2-CG 3.74Å; L75-K263 HydrophobicContact CG-CG 4.32Å; L75-V266 HydrophobicContact CD1-CG2 3.91Å; L75-V266 HydrophobicContact CD2-CG2 3.5Å; L75-V266 HydrophobicContact CG-CG2 4.35Å; L75-I458 HydrophobicContact CD2-CD1 4.3Å
76	G	84.2	Confident	85.5	Confident	6 Å²	6	6.8 Å²	6.8	6%	0.062	4%	0.039	C	C	.	.			trans	84.5	43.3	176.3	0	0	0	0	0	114.4	G74 T78 C79 Q80	G74-G76 PolarHBondContact O-N 3.03Å; G76-T78 VanDerWaalsContact C-N 3.26Å; G76-T78 PolarHBondContact O-N 3.28Å; G76-C79 PolarHBondContact O-N 3.13Å; G76-Q80 PolarHBondContact O-N 3.23Å
77	K	88.9	Confident	85.5	Confident	20 Å²	20	6.7 Å²	6.7	9%	0.087	4%	0.039	C	C	.	.	H	α-helix	trans	-54.2	-42.4	172.3	-69.8	-163.2	-74.8	-90.9	0	112.6	L69 D71 Q80 T81 L201 T202	L69-K77 HydrophobicContact CB-CD 4.35Å; L69-K77 HydrophobicContact CD2-CB 3.9Å; L69-K77 HydrophobicContact CD2-CD 4.12Å; L69-K77 HydrophobicContact CD2-CG 3.72Å; L69-K77 HydrophobicContact CG-CD 3.91Å; L69-K77 HydrophobicContact CG-CG 3.95Å; L69-K77 WeakPolarHBondContact O-CD 3.46Å; D71-K77 HydrophobicContact CB-CD 4.14Å; D71-K77 HydrophobicContact CB-CG 3.9Å; D71-K77 PolarHBondContact O-NZ 3.34Å; K77-Q80 PolarHBondContact O-N 2.78Å; K77-T81 PolarHBondContact O-N 2.98Å; K77-T81 PolarHBondContact O-OG1 3.15Å; K77-L201 HydrophobicContact CD-CB 4.27Å; K77-T202 WeakPolarHBondContact CE-O 3.47Å; K77-T202 VanDerWaalsContact NZ-C 3.29Å; K77-T202 PolarHBondContact NZ-O 3.23Å
78	T	88.9	Confident	85.1	Confident	12 Å²	12	6.7 Å²	6.7	7%	0.074	4%	0.039	C	C	.	.	H	α-helix	trans	-55.7	-52	174.4	-45	0	0	0	0	110.9	G76 Q80 T81 I82 W110 E113	G76-T78 VanDerWaalsContact C-N 3.26Å; G76-T78 PolarHBondContact O-N 3.28Å; T78-Q80 PolarHBondContact O-N 3.04Å; T78-T81 WeakPolarHBondContact O-CB 3.16Å; T78-T81 PolarHBondContact O-N 2.82Å; T78-T81 VanDerWaalsContact O-N 3.13Å; T78-I82 HydrophobicContact CG2-CD1 4.03Å; T78-I82 VanDerWaalsContact O-CG1 3.31Å; T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.7Å; T78-W110 HydrophobicContact CG2-CD2 3.73Å; T78-W110 HydrophobicContact CG2-CE3 3.65Å; T78-W110 HydrophobicContact CG2-CG 4.49Å; T78-W110 HydrophobicContact CG2-CH2 3.79Å; T78-W110 HydrophobicContact CG2-CZ2 3.84Å; T78-W110 HydrophobicContact CG2-CZ3 3.69Å; T78-E113 VanDerWaalsContact CB-OE2 3.26Å; T78-E113 WeakPolarHBondContact CB-OE2 3.49Å; T78-E113 HydrophobicContact CG2-CB 4.37Å; T78-E113 WeakPolarHBondContact CG2-OE2 3.39Å
79	C	87.5	Confident	84.5	Confident	18 Å²	18	7.6 Å²	7.6	12%	0.122	5%	0.046	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177.6	-41.9	0	0	0	0	113.1	L46 G76 T81 I82 A83	L46-C79 HydrophobicContact CD2-CB 4.48Å; G76-C79 PolarHBondContact O-N 3.13Å; C79-T81 VanDerWaalsContact C-N 3.34Å; C79-I82 PolarHBondContact O-N 3.37Å; C79-A83 WeakPolarHBondContact O-CB 3.37Å; C79-A83 PolarHBondContact O-N 2.91Å
80	Q	89.6	Confident	83.5	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-39.7	174.6	-70.5	176.2	76.8	0	0	111.8	Q50 V54 L69 D71 G76 K77 T78 L84	Q50-Q80 HydrophobicContact CB-CG 4.02Å; Q50-Q80 HydrophobicContact CG-CG 4.25Å; V54-Q80 HydrophobicContact CG2-CB 4.26Å; V54-Q80 HydrophobicContact CG2-CG 4.46Å; L69-Q80 HydrophobicContact CD2-CB 4.25Å; D71-Q80 PolarHBondContact OD2-NE2 2.97Å; G76-Q80 PolarHBondContact O-N 3.23Å; K77-Q80 PolarHBondContact O-N 2.78Å; T78-Q80 PolarHBondContact O-N 3.04Å; Q80-L84 PolarHBondContact O-N 3.02Å
81	T	90.9	Very high	82.5	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.2	-41.6	177.1	-53.2	0	0	0	0	111.9	K77 T78 C79 L84 F85 W110 V172 L199	K77-T81 PolarHBondContact O-N 2.98Å; K77-T81 PolarHBondContact O-OG1 3.15Å; T78-T81 WeakPolarHBondContact O-CB 3.16Å; T78-T81 PolarHBondContact O-N 2.82Å; T78-T81 VanDerWaalsContact O-N 3.13Å; C79-T81 VanDerWaalsContact C-N 3.34Å; T81-L84 WeakPolarHBondContact O-CB 3.38Å; T81-L84 PolarHBondContact O-N 3.49Å; T81-F85 HydrophobicContact CG2-CE2 3.84Å; T81-F85 HydrophobicContact CG2-CZ 4.03Å; T81-F85 WeakPolarHBondContact O-CD2 3.3Å; T81-F85 PolarHBondContact O-N 3.39Å; T81-F85 VanDerWaalsContact O-N 3.11Å; T81-W110 HydrophobicContact CG2-CH2 3.98Å; T81-W110 HydrophobicContact CG2-CZ3 4.28Å; T81-V172 HydrophobicContact CG2-CG1 4.03Å; T81-V172 HydrophobicContact CG2-CG2 3.75Å; T81-L199 HydrophobicContact CG2-CD2 3.83Å
82	I	89.6	Confident	81.4	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.2	-39.2	177.7	-62.7	170.7	0	0	0	110.8	T78 C79 L84 F85 I86 W110 E113 M114 F117 A118	T78-I82 HydrophobicContact CG2-CD1 4.03Å; T78-I82 VanDerWaalsContact O-CG1 3.31Å; T78-I82 WeakPolarHBondContact O-CG1 3.48Å; T78-I82 PolarHBondContact O-N 2.7Å; C79-I82 PolarHBondContact O-N 3.37Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 PolarHBondContact O-N 2.7Å; I82-F85 PolarHBondContact O-N 3.25Å; I82-I86 HydrophobicContact CG2-CD1 4.23Å; I82-I86 WeakPolarHBondContact O-CG1 3.4Å; I82-I86 PolarHBondContact O-N 3.3Å; I82-W110 HydrophobicContact CD1-CZ3 4.49Å; I82-W110 HydrophobicContact CG1-CZ3 4.17Å; I82-E113 HydrophobicContact CD1-CB 3.79Å; I82-M114 HydrophobicContact CB-SD 4.43Å; I82-M114 HydrophobicContact CD1-CG 4.3Å; I82-M114 HydrophobicContact CD1-SD 3.99Å; I82-M114 HydrophobicContact CG1-SD 3.67Å; I82-M114 HydrophobicContact CG2-SD 4.06Å; I82-F117 HydrophobicContact CD1-CD2 3.94Å; I82-F117 HydrophobicContact CG2-CB 4.05Å; I82-A118 HydrophobicContact CG2-CB 3.82Å
83	A	87.5	Confident	80.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-33.2	173	0	0	0	0	0	112.8	L36 L46 V54 C79 Y87	L36-A83 HydrophobicContact CD1-CB 4.47Å; L46-A83 HydrophobicContact CD1-CB 3.97Å; V54-A83 HydrophobicContact CG1-CB 4.39Å; V54-A83 HydrophobicContact CG2-CB 3.66Å; C79-A83 WeakPolarHBondContact O-CB 3.37Å; C79-A83 PolarHBondContact O-N 2.91Å; A83-Y87 WeakPolarHBondContact O-CB 3.34Å; A83-Y87 PolarHBondContact O-N 3.21Å
84	L	86.9	Confident	80	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-46.6	170.4	-178.6	68.1	0	0	0	111.3	L57 Q80 T81 I82 I86 Y87 L88 F197 L199	L57-L84 HydrophobicContact CB-CD1 4.02Å; L57-L84 HydrophobicContact CB-CD2 4.14Å; L57-L84 HydrophobicContact CD1-CD2 4.45Å; Q80-L84 PolarHBondContact O-N 3.02Å; T81-L84 WeakPolarHBondContact O-CB 3.38Å; T81-L84 PolarHBondContact O-N 3.49Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 PolarHBondContact O-N 2.7Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3.19Å; L84-Y87 HydrophobicContact CD1-CD1 4.39Å; L84-Y87 WeakPolarHBondContact O-CB 3.36Å; L84-Y87 PolarHBondContact O-N 2.88Å; L84-Y87 VanDerWaalsContact O-N 3.11Å; L84-L88 HydrophobicContact CG-CD1 4.43Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 2.93Å; L84-F197 HydrophobicContact CD2-CE1 4.09Å; L84-L199 HydrophobicContact CD2-CD2 4.26Å
85	F	87.2	Confident	79.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-40.2	177.1	-62.7	-44.8	0	0	0	113	T81 I82 Y87 L88 A89 F98 I100 L121 V170 V172	T81-F85 HydrophobicContact CG2-CE2 3.84Å; T81-F85 HydrophobicContact CG2-CZ 4.03Å; T81-F85 WeakPolarHBondContact O-CD2 3.3Å; T81-F85 PolarHBondContact O-N 3.39Å; T81-F85 VanDerWaalsContact O-N 3.11Å; I82-F85 PolarHBondContact O-N 3.25Å; F85-Y87 VanDerWaalsContact C-N 3.31Å; F85-Y87 PolarHBondContact O-N 2.89Å; F85-L88 PolarHBondContact O-N 3.33Å; F85-A89 WeakPolarHBondContact O-CB 3.42Å; F85-A89 PolarHBondContact O-N 2.97Å; F85-F98 HydrophobicContact CD1-CB 4.3Å; F85-F98 HydrophobicContact CD1-CD1 4.29Å; F85-F98 AromaticContact CD1-CD2 3.85Å; F85-F98 HydrophobicContact CD1-CD2 3.85Å; F85-F98 HydrophobicContact CD1-CE2 4.21Å; F85-F98 AromaticContact CD1-CG 3.88Å; F85-F98 HydrophobicContact CD1-CG 3.88Å; F85-F98 HydrophobicContact CE1-CB 3.8Å; F85-F98 HydrophobicContact CE1-CD1 4.24Å; F85-F98 HydrophobicContact CE1-CD2 4.23Å; F85-F98 AromaticContact CE1-CG 3.83Å; F85-F98 HydrophobicContact CE1-CG 3.83Å; F85-F98 HydrophobicContact CG-CD2 4.38Å; F85-F98 HydrophobicContact CZ-CB 4.23Å; F85-I100 HydrophobicContact CE2-CD1 3.67Å; F85-I100 HydrophobicContact CE2-CG1 4.12Å; F85-I100 HydrophobicContact CZ-CD1 4.12Å; F85-I100 HydrophobicContact CZ-CG1 4.04Å; F85-L121 HydrophobicContact CB-CD1 3.91Å; F85-V170 HydrophobicContact CE1-CB 4.17Å; F85-V170 HydrophobicContact CE1-CG1 3.97Å; F85-V172 HydrophobicContact CE1-CG2 4.15Å; F85-V172 HydrophobicContact CE2-CG2 4.45Å; F85-V172 HydrophobicContact CZ-CG2 3.53Å
86	I	84.2	Confident	78.6	Confident	5 Å²	5	26.5 Å²	26.5	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-41	173.9	-68.7	160.7	0	0	0	110.9	L36 W39 L41 I82 L84 G90 A118 L121	L36-I86 HydrophobicContact CD2-CG2 4.38Å; W39-I86 HydrophobicContact CB-CG2 3.75Å; L41-I86 HydrophobicContact CB-CD1 3.98Å; L41-I86 HydrophobicContact CD1-CD1 3.61Å; L41-I86 HydrophobicContact CG-CD1 4.42Å; I82-I86 HydrophobicContact CG2-CD1 4.23Å; I82-I86 WeakPolarHBondContact O-CG1 3.4Å; I82-I86 PolarHBondContact O-N 3.3Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3.19Å; I86-G90 PolarHBondContact O-N 3.44Å; I86-A118 HydrophobicContact CD1-CB 3.86Å; I86-A118 HydrophobicContact CG1-CB 3.92Å; I86-L121 HydrophobicContact CG1-CD1 4.49Å
87	Y	82.9	Confident	78.7	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.2	170.3	-94.9	0	0	0	112.7	V31 W39 A58 H62 A83 L84 F85 R91 L92	V31-Y87 HydrophobicContact CG1-CD2 4.19Å; V31-Y87 HydrophobicContact CG2-CD2 3.58Å; V31-Y87 HydrophobicContact CG2-CE2 3.33Å; W39-Y87 HydrophobicContact CH2-CD2 4.41Å; W39-Y87 AromaticContact CZ3-CD2 3.8Å; W39-Y87 HydrophobicContact CZ3-CD2 3.8Å; W39-Y87 HydrophobicContact CZ3-CE2 4.42Å; A58-Y87 HydrophobicContact CB-CD1 4.05Å; A58-Y87 HydrophobicContact CB-CE1 3.61Å; H62-Y87 AromaticContact NE2-CZ 3.98Å; H62-Y87 PolarHBondContact NE2-OH 3.02Å; A83-Y87 WeakPolarHBondContact O-CB 3.34Å; A83-Y87 PolarHBondContact O-N 3.21Å; L84-Y87 HydrophobicContact CD1-CD1 4.39Å; L84-Y87 WeakPolarHBondContact O-CB 3.36Å; L84-Y87 PolarHBondContact O-N 2.88Å; L84-Y87 VanDerWaalsContact O-N 3.11Å; F85-Y87 VanDerWaalsContact C-N 3.31Å; F85-Y87 PolarHBondContact O-N 2.89Å; Y87-R91 HydrophobicContact CD2-CB 4.39Å; Y87-R91 HydrophobicContact CE2-CB 4.29Å; Y87-R91 HydrophobicContact CE2-CG 4.44Å; Y87-R91 VanDerWaalsContact O-CB 3.26Å; Y87-R91 WeakPolarHBondContact O-CB 3.48Å; Y87-R91 PolarHBondContact O-N 2.88Å; Y87-L92 HydrophobicContact CE1-CD1 4.27Å
88	L	80.4	Confident	78.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-63.2	-51.7	177.9	-64.3	-179.5	0	0	0	111.2	F61 L84 F85 L92 N93 F98 V170	F61-L88 HydrophobicContact CD1-CD2 3.6Å; F61-L88 HydrophobicContact CD2-CD1 4.2Å; F61-L88 HydrophobicContact CD2-CD2 3.94Å; F61-L88 HydrophobicContact CE1-CD2 3.55Å; F61-L88 HydrophobicContact CE2-CD1 3.88Å; F61-L88 HydrophobicContact CE2-CD2 3.89Å; F61-L88 HydrophobicContact CG-CD2 3.81Å; F61-L88 HydrophobicContact CZ-CD1 4.25Å; F61-L88 HydrophobicContact CZ-CD2 3.69Å; L84-L88 HydrophobicContact CG-CD1 4.43Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 2.93Å; F85-L88 PolarHBondContact O-N 3.33Å; L88-L92 HydrophobicContact CD2-CD1 3.65Å; L88-L92 WeakPolarHBondContact O-CA 3.33Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 PolarHBondContact O-N 2.85Å; L88-N93 PolarHBondContact O-N 3.44Å; L88-F98 HydrophobicContact CB-CZ 4.18Å; L88-F98 HydrophobicContact CD1-CE1 3.98Å; L88-F98 HydrophobicContact CD1-CZ 4.21Å; L88-V170 HydrophobicContact CD1-CG2 3.66Å
89	A	75.9	Confident	78.8	Confident	21 Å²	21	25.7 Å²	25.7	17%	0.174	15%	0.145	C	C	.	.	I	π-helix	trans	-63.5	-44.5	179.6	0	0	0	0	0	112.3	F85 N93 D94 L121	F85-A89 WeakPolarHBondContact O-CB 3.42Å; F85-A89 PolarHBondContact O-N 2.97Å; A89-N93 WeakPolarHBondContact O-CA 3.23Å; A89-N93 PolarHBondContact O-N 3.3Å; A89-D94 WeakPolarHBondContact CA-O 3.38Å; A89-L121 HydrophobicContact CB-CD2 3.89Å
90	G	67.9	Low	79.1	Confident	32 Å²	32	24.9 Å²	24.9	33%	0.33	14%	0.139	S	C	.	.	I	π-helix	trans	-78.6	-33.8	-174.5	0	0	0	0	0	115.5	W39 I86	W39-G90 PolarHBondContact NE1-O 3Å; I86-G90 PolarHBondContact O-N 3.44Å
91	R	64	Low	79.2	Confident	113 Å²	113	24.9 Å²	24.9	43%	0.426	14%	0.139	S	C	.	.	I	π-helix	trans	-103.8	-40.1	-175.3	-169.7	-176.5	177.8	123.6	2.8	114	W39 Y87	W39-R91 HydrophobicContact CH2-CB 3.9Å; W39-R91 HydrophobicContact CH2-CG 4.13Å; W39-R91 HydrophobicContact CZ2-CB 3.89Å; W39-R91 HydrophobicContact CZ2-CG 4.13Å; W39-R91 HydrophobicContact CZ3-CB 4.35Å; Y87-R91 HydrophobicContact CD2-CB 4.39Å; Y87-R91 HydrophobicContact CE2-CB 4.29Å; Y87-R91 HydrophobicContact CE2-CG 4.44Å; Y87-R91 VanDerWaalsContact O-CB 3.26Å; Y87-R91 WeakPolarHBondContact O-CB 3.48Å; Y87-R91 PolarHBondContact O-N 2.88Å
92	L	61.1	Low	79.2	Confident	74 Å²	74	24.9 Å²	24.9	39%	0.387	14%	0.139	S	C	.	.	I	π-helix	trans	-94.3	-10.1	-178.3	-74.5	157.8	0	0	0	112.2	F61 Y87 L88 D94	F61-L92 HydrophobicContact CD1-CD1 4.05Å; F61-L92 HydrophobicContact CE1-CD1 3.79Å; Y87-L92 HydrophobicContact CE1-CD1 4.27Å; L88-L92 HydrophobicContact CD2-CD1 3.65Å; L88-L92 WeakPolarHBondContact O-CA 3.33Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 PolarHBondContact O-N 2.85Å; L92-D94 HydrophobicContact CB-CB 4.48Å; L92-D94 PolarHBondContact O-N 3.21Å
93	N	64.3	Low	79	Confident	123 Å²	123	25.4 Å²	25.4	66%	0.658	14%	0.143	S	C	*	.			trans	56.7	26.8	-177.2	-151.6	89.2	0	0	0	112.4	L88 A89 E95	L88-N93 PolarHBondContact O-N 3.44Å; A89-N93 WeakPolarHBondContact O-CA 3.23Å; A89-N93 PolarHBondContact O-N 3.3Å; N93-E95 PolarHBondContact O-N 3.06Å
94	D	62.9	Low	78.7	Confident	39 Å²	39	30.2 Å²	30.2	21%	0.209	17%	0.168	C	C	.	.			trans	-84.3	98.8	171.6	-179	5.7	0	0	0	107.6	A89 L92 G96 S169	A89-D94 WeakPolarHBondContact CA-O 3.38Å; L92-D94 HydrophobicContact CB-CB 4.48Å; L92-D94 PolarHBondContact O-N 3.21Å; D94-G96 PolarHBondContact O-N 3.33Å; D94-G96 PolarHBondContact OD1-N 3.4Å; D94-G96 VanDerWaalsContact OD1-N 3.08Å; D94-S169 PolarHBondContact OD1-OG 2.91Å; D94-S169 WeakPolarHBondContact OD2-CB 3.43Å; D94-S169 PolarHBondContact OD2-OG 3.47Å
95	E	62.9	Low	78.2	Confident	67 Å²	67	30.7 Å²	30.7	31%	0.313	17%	0.172	S	C	.	.			trans	-77.2	3.2	178	-69.7	-169	-170.4	0	0	113	N93 R145 H147	N93-E95 PolarHBondContact O-N 3.06Å; E95-R145 IonicContact OE1-CZ 2.86Å; E95-R145 IonicContact OE1-NH2 2.74Å; E95-R145 PolarHBondContact OE1-NH2 3.23Å; E95-R145 IonicContact OE2-CZ 2.83Å; E95-R145 IonicContact OE2-NE 3.3Å; E95-R145 PolarHBondContact OE2-NE 3.11Å; E95-R145 IonicContact OE2-NH2 2.79Å; E95-R145 PolarHBondContact OE2-NH2 3.41Å; E95-H147 WeakPolarHBondContact O-CA 3.25Å; E95-H147 PolarHBondContact O-CD2 2.93Å; E95-H147 VanDerWaalsContact O-CD2 3.24Å; E95-H147 IonicContact OE2-NE2 3.79Å
96	G	63.5	Low	77.9	Confident	25 Å²	25	31.1 Å²	31.1	26%	0.258	17%	0.174	S	C	.	.			trans	95.8	-165	179.7	0	0	0	0	0	113.6	D94	D94-G96 PolarHBondContact O-N 3.33Å; D94-G96 PolarHBondContact OD1-N 3.4Å; D94-G96 VanDerWaalsContact OD1-N 3.08Å
97	P	84.8	Confident	77.9	Confident	22 Å²	22	31.8 Å²	31.8	14%	0.143	18%	0.178	C	C	.	.			cis	-90.3	146.6	26.5	34.3	-37	0	0	0	114.9	F146 F166 P167 W168 S169	P97-F146 HydrophobicContact CB-CE2 3.81Å; P97-F146 HydrophobicContact CB-CZ 4.18Å; P97-F166 HydrophobicContact CG-CB 4.49Å; P97-P167 WeakPolarHBondContact CD-O 3.25Å; P97-P167 VanDerWaalsContact CG-O 3.3Å; P97-P167 WeakPolarHBondContact CG-O 3.42Å; P97-W168 HydrophobicContact CB-CE3 3.83Å; P97-W168 HydrophobicContact CB-CZ3 3.74Å; P97-W168 HydrophobicContact CG-CE3 3.94Å; P97-W168 HydrophobicContact CG-CZ3 4.21Å; P97-S169 PolarHBondContact O-N 2.93Å
98	F	89.4	Confident	77.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.6	174.2	-48.6	-55.6	0	0	0	111.1	F85 L88 H147 V148 L149 V170	F85-F98 HydrophobicContact CD1-CB 4.3Å; F85-F98 HydrophobicContact CD1-CD1 4.29Å; F85-F98 AromaticContact CD1-CD2 3.85Å; F85-F98 HydrophobicContact CD1-CD2 3.85Å; F85-F98 HydrophobicContact CD1-CE2 4.21Å; F85-F98 AromaticContact CD1-CG 3.88Å; F85-F98 HydrophobicContact CD1-CG 3.88Å; F85-F98 HydrophobicContact CE1-CB 3.8Å; F85-F98 HydrophobicContact CE1-CD1 4.24Å; F85-F98 HydrophobicContact CE1-CD2 4.23Å; F85-F98 AromaticContact CE1-CG 3.83Å; F85-F98 HydrophobicContact CE1-CG 3.83Å; F85-F98 HydrophobicContact CG-CD2 4.38Å; F85-F98 HydrophobicContact CZ-CB 4.23Å; L88-F98 HydrophobicContact CB-CZ 4.18Å; L88-F98 HydrophobicContact CD1-CE1 3.98Å; L88-F98 HydrophobicContact CD1-CZ 4.21Å; F98-H147 VanDerWaalsContact CD2-O 3.31Å; F98-H147 WeakPolarHBondContact CD2-O 3.37Å; F98-H147 PolarHBondContact N-O 3.46Å; F98-V148 HydrophobicContact CB-CG2 4.3Å; F98-V148 HydrophobicContact CD2-CG2 3.96Å; F98-V148 WeakPolarHBondContact O-CA 3.44Å; F98-L149 PolarHBondContact O-N 2.75Å; F98-V170 HydrophobicContact CD1-CB 3.69Å; F98-V170 HydrophobicContact CD1-CG2 3.75Å; F98-V170 HydrophobicContact CE1-CB 4.38Å; F98-V170 HydrophobicContact CE1-CG2 3.92Å; F98-V170 HydrophobicContact CG-CB 4.49Å
99	L	91.3	Very high	78.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.9	177.8	-176.4	55.4	0	0	0	110.8	L101 L149 T151 W168 V170 L171 V172 F193	L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 4.44Å; L99-L101 HydrophobicContact CG-CD2 4.33Å; L99-L101 HydrophobicContact CG-CG 4.37Å; L99-L149 HydrophobicContact CD1-CB 4.21Å; L99-L149 HydrophobicContact CD1-CD2 4.24Å; L99-L149 HydrophobicContact CD1-CG 4.49Å; L99-T151 HydrophobicContact CD1-CG2 3.85Å; L99-W168 HydrophobicContact CB-CD2 3.75Å; L99-W168 HydrophobicContact CB-CE3 3.52Å; L99-W168 HydrophobicContact CB-CG 4.37Å; L99-W168 HydrophobicContact CB-CH2 4.23Å; L99-W168 HydrophobicContact CB-CZ2 4.44Å; L99-W168 HydrophobicContact CB-CZ3 3.76Å; L99-W168 HydrophobicContact CD1-CH2 4.12Å; L99-W168 HydrophobicContact CD1-CZ2 4.36Å; L99-W168 HydrophobicContact CD1-CZ3 4.38Å; L99-W168 HydrophobicContact CD2-CD2 4.27Å; L99-W168 HydrophobicContact CD2-CZ2 4.14Å; L99-V170 PolarHBondContact N-O 3.11Å; L99-L171 HydrophobicContact CB-CD1 3.96Å; L99-L171 HydrophobicContact CD2-CD1 3.83Å; L99-L171 HydrophobicContact CG-CD1 3.83Å; L99-V172 PolarHBondContact O-N 3.04Å; L99-F193 HydrophobicContact CD2-CD2 4.14Å; L99-F193 HydrophobicContact CD2-CE2 3.88Å
100	I	93.6	Very high	78.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.8	173.3	-53.3	173.7	0	0	0	109.2	F85 W110 V148 L149 L150 T151 V172	F85-I100 HydrophobicContact CE2-CD1 3.67Å; F85-I100 HydrophobicContact CE2-CG1 4.12Å; F85-I100 HydrophobicContact CZ-CD1 4.12Å; F85-I100 HydrophobicContact CZ-CG1 4.04Å; I100-W110 HydrophobicContact CD1-CE3 3.99Å; I100-W110 HydrophobicContact CD1-CZ3 4.02Å; I100-W110 HydrophobicContact CG2-CD2 4.21Å; I100-W110 HydrophobicContact CG2-CE3 4.25Å; I100-W110 HydrophobicContact CG2-CH2 4.5Å; I100-W110 HydrophobicContact CG2-CZ2 4.47Å; I100-W110 HydrophobicContact CG2-CZ3 4.39Å; I100-V148 HydrophobicContact CD1-CG1 3.45Å; I100-V148 VanDerWaalsContact CD1-CG1 3.45Å; I100-V148 HydrophobicContact CG1-CG1 3.99Å; I100-L149 PolarHBondContact N-O 3.11Å; I100-L150 HydrophobicContact CB-CD2 3.69Å; I100-L150 HydrophobicContact CB-CG 4.38Å; I100-L150 HydrophobicContact CD1-CD2 4.04Å; I100-L150 HydrophobicContact CD1-CG 4.35Å; I100-L150 HydrophobicContact CG1-CD2 4.46Å; I100-L150 HydrophobicContact CG2-CD2 3.63Å; I100-T151 PolarHBondContact O-N 2.83Å; I100-V172 HydrophobicContact CG1-CB 4.3Å; I100-V172 HydrophobicContact CG2-CB 4.41Å; I100-V172 HydrophobicContact CG2-CG1 4.46Å
101	L	92.4	Very high	79.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.1	172.4	-61.9	178.9	0	0	0	109.7	L99 T151 Y153 C156 L171 V172 V173 D174 L190	L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 4.44Å; L99-L101 HydrophobicContact CG-CD2 4.33Å; L99-L101 HydrophobicContact CG-CG 4.37Å; L101-T151 HydrophobicContact CD2-CG2 3.41Å; L101-T151 VanDerWaalsContact CD2-CG2 3.41Å; L101-Y153 HydrophobicContact CB-CD1 4.38Å; L101-Y153 HydrophobicContact CB-CE1 4.33Å; L101-C156 HydrophobicContact CD2-CB 3.82Å; L101-L171 HydrophobicContact CD1-CD1 3.88Å; L101-L171 HydrophobicContact CG-CD1 4.07Å; L101-V172 PolarHBondContact N-O 3.34Å; L101-V173 HydrophobicContact CB-CG1 4.4Å; L101-V173 HydrophobicContact CD1-CG2 4.32Å; L101-D174 PolarHBondContact O-N 2.86Å; L101-L190 HydrophobicContact CD1-CD1 3.57Å; L101-L190 HydrophobicContact CD1-CD2 3.47Å; L101-L190 VanDerWaalsContact CD1-CD2 3.47Å; L101-L190 HydrophobicContact CD1-CG 4.16Å
102	C	90	Very high	80.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.			trans	-144.6	158	-178.3	67.9	0	0	0	0	112.7	V106 T151 T152 D174	C102-V106 HydrophobicContact CB-CG2 3.64Å; C102-T151 PolarHBondContact N-O 3.41Å; C102-T151 VanDerWaalsContact N-O 3.11Å; C102-T152 WeakPolarHBondContact O-CA 3.28Å; C102-D174 HydrophobicContact CB-CB 3.91Å
103	P	85.1	Confident	81.9	Confident	11 Å²	11	33.6 Å²	33.6	7%	0.071	18%	0.179	C	C	.	.			trans	-58.5	145.1	172.1	-22.4	30.5	0	0	0	112.6	S105 V106 L107 Y153 E175 V426	P103-S105 PolarHBondContact O-N 2.92Å; P103-V106 HydrophobicContact CB-CG2 4.18Å; P103-V106 HydrophobicContact CG-CG2 4.22Å; P103-V106 WeakPolarHBondContact O-CG2 3.34Å; P103-V106 PolarHBondContact O-N 2.75Å; P103-L107 PolarHBondContact O-N 3.29Å; P103-Y153 HydrophobicContact CB-CE2 4.37Å; P103-Y153 WeakPolarHBondContact CD-OH 3.19Å; P103-Y153 HydrophobicContact CG-CE2 3.96Å; P103-E175 HydrophobicContact CG-CB 4.01Å; P103-E175 HydrophobicContact CG-CG 4.15Å; P103-V426 HydrophobicContact CB-CG1 3.7Å; P103-V426 HydrophobicContact CG-CG1 4.19Å
104	L	81.7	Confident	83	Confident	101 Å²	101	27.9 Å²	27.9	53%	0.529	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.8	-179.8	-179.6	63.1	0	0	0	114.3	T152	L104-T152 HydrophobicContact CB-CG2 4.1Å; L104-T152 HydrophobicContact CD1-CG2 4Å
105	S	75.7	Confident	84.1	Confident	11 Å²	11	32 Å²	32	8%	0.077	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.5	179	63.7	0	0	0	0	115.2	P103 V426	P103-S105 PolarHBondContact O-N 2.92Å; S105-V426 WeakPolarHBondContact CB-O 3.39Å; S105-V426 VanDerWaalsContact OG-CB 3.27Å; S105-V426 WeakPolarHBondContact OG-CB 3.34Å; S105-V426 WeakPolarHBondContact OG-CG1 3.41Å; S105-V426 PolarHBondContact OG-O 3.04Å
106	V	81.2	Confident	85.1	Confident	8 Å²	8	36.1 Å²	36.1	5%	0.048	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.9	177.4	-64	0	0	0	0	113.5	C102 P103 S108 N109 W110	C102-V106 HydrophobicContact CB-CG2 3.64Å; P103-V106 HydrophobicContact CB-CG2 4.18Å; P103-V106 HydrophobicContact CG-CG2 4.22Å; P103-V106 WeakPolarHBondContact O-CG2 3.34Å; P103-V106 PolarHBondContact O-N 2.75Å; V106-S108 PolarHBondContact O-N 2.99Å; V106-N109 CarbonylContact O-C 3.58Å; V106-N109 WeakPolarHBondContact O-CA 3.48Å; V106-N109 WeakPolarHBondContact O-CB 3.31Å; V106-N109 PolarHBondContact O-N 2.9Å; V106-W110 PolarHBondContact O-N 3.28Å
107	L	85.5	Confident	86	Confident	20 Å²	20	35.4 Å²	35.4	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-36.9	-176.8	173.7	152.7	0	0	0	112.8	P103 K111 T125 A127 T152	P103-L107 PolarHBondContact O-N 3.29Å; L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3.21Å; L107-K111 VanDerWaalsContact O-N 3.11Å; L107-T125 HydrophobicContact CD1-CG2 4.3Å; L107-T125 HydrophobicContact CD2-CG2 3.5Å; L107-T125 HydrophobicContact CG-CG2 4.09Å; L107-A127 HydrophobicContact CD1-CB 3.99Å; L107-T152 HydrophobicContact CD1-CG2 3.59Å
108	S	81.6	Confident	85.9	Confident	22 Å²	22	34.5 Å²	34.5	15%	0.154	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-48.7	169.8	50.5	0	0	0	0	112.9	V106 W110 K111 E112 H403	V106-S108 PolarHBondContact O-N 2.99Å; S108-W110 VanDerWaalsContact C-N 3.34Å; S108-W110 PolarHBondContact O-N 2.91Å; S108-K111 WeakPolarHBondContact O-CA 3.27Å; S108-K111 WeakPolarHBondContact O-CB 3.45Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 VanDerWaalsContact O-N 3.1Å; S108-E112 PolarHBondContact O-N 2.56Å; S108-H403 WeakPolarHBondContact CB-NE2 3.38Å; S108-H403 PolarHBondContact OG-CD2 3.38Å; S108-H403 VanDerWaalsContact OG-CD2 3.29Å; S108-H403 PolarHBondContact OG-CE1 2.87Å; S108-H403 PolarHBondContact OG-NE2 3.5Å
109	N	84.4	Confident	85.4	Confident	28 Å²	28	38.4 Å²	38.4	15%	0.15	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-42.5	179.5	-178.1	95.8	0	0	0	111	V106 E112 E113 N429	V106-N109 CarbonylContact O-C 3.58Å; V106-N109 WeakPolarHBondContact O-CA 3.48Å; V106-N109 WeakPolarHBondContact O-CB 3.31Å; V106-N109 PolarHBondContact O-N 2.9Å; N109-E112 PolarHBondContact O-N 2.98Å; N109-E113 PolarHBondContact ND2-OE1 2.73Å; N109-E113 WeakPolarHBondContact O-CB 3.48Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 3.47Å; N109-N429 PolarHBondContact OD1-ND2 2.85Å
110	W	88.8	Confident	84.7	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-43.8	171.4	-86.3	99.2	0	0	0	111.8	T78 T81 I82 I100 V106 S108 M114 L150 V172 D174 L201	T78-W110 HydrophobicContact CG2-CD2 3.73Å; T78-W110 HydrophobicContact CG2-CE3 3.65Å; T78-W110 HydrophobicContact CG2-CG 4.49Å; T78-W110 HydrophobicContact CG2-CH2 3.79Å; T78-W110 HydrophobicContact CG2-CZ2 3.84Å; T78-W110 HydrophobicContact CG2-CZ3 3.69Å; T81-W110 HydrophobicContact CG2-CH2 3.98Å; T81-W110 HydrophobicContact CG2-CZ3 4.28Å; I82-W110 HydrophobicContact CD1-CZ3 4.49Å; I82-W110 HydrophobicContact CG1-CZ3 4.17Å; I100-W110 HydrophobicContact CD1-CE3 3.99Å; I100-W110 HydrophobicContact CD1-CZ3 4.02Å; I100-W110 HydrophobicContact CG2-CD2 4.21Å; I100-W110 HydrophobicContact CG2-CE3 4.25Å; I100-W110 HydrophobicContact CG2-CH2 4.5Å; I100-W110 HydrophobicContact CG2-CZ2 4.47Å; I100-W110 HydrophobicContact CG2-CZ3 4.39Å; V106-W110 PolarHBondContact O-N 3.28Å; S108-W110 VanDerWaalsContact C-N 3.34Å; S108-W110 PolarHBondContact O-N 2.91Å; W110-M114 VanDerWaalsContact O-CB 3.28Å; W110-M114 WeakPolarHBondContact O-CB 3.24Å; W110-M114 WeakPolarHBondContact O-CG 3.22Å; W110-M114 PolarHBondContact O-N 3.33Å; W110-L150 HydrophobicContact CB-CD1 4.09Å; W110-L150 HydrophobicContact CB-CD2 3.64Å; W110-L150 HydrophobicContact CG-CD2 4.09Å; W110-V172 HydrophobicContact CH2-CG1 4.44Å; W110-D174 HydrophobicContact CZ2-CB 4.32Å; W110-D174 PolarHBondContact NE1-OD2 3.45Å; W110-L201 HydrophobicContact CH2-CD1 3.88Å; W110-L201 HydrophobicContact CZ2-CD1 3.68Å
111	K	87.2	Confident	84.1	Confident	82 Å²	82	42.8 Å²	42.8	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-45.1	176.1	-175.5	-179.3	-171.6	158.7	0	112.5	L107 S108 Q115 T125 L150	L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3.21Å; L107-K111 VanDerWaalsContact O-N 3.11Å; S108-K111 WeakPolarHBondContact O-CA 3.27Å; S108-K111 WeakPolarHBondContact O-CB 3.45Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 VanDerWaalsContact O-N 3.1Å; K111-Q115 WeakPolarHBondContact O-CB 3.46Å; K111-Q115 VanDerWaalsContact O-CG 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.47Å; K111-Q115 PolarHBondContact O-N 2.78Å; K111-T125 WeakPolarHBondContact CD-OG1 3.23Å; K111-T125 WeakPolarHBondContact CE-OG1 3.32Å; K111-T125 PolarHBondContact NZ-OG1 3.48Å; K111-L150 HydrophobicContact CB-CD1 4.31Å
112	E	85.3	Confident	83.7	Confident	127 Å²	127	45.4 Å²	45.4	59%	0.593	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-43.1	178	-71.4	-178.7	-170	0	0	112.2	S108 N109 Q115 R116	S108-E112 PolarHBondContact O-N 2.56Å; N109-E112 PolarHBondContact O-N 2.98Å; E112-Q115 PolarHBondContact O-N 3.29Å; E112-R116 VanDerWaalsContact O-CB 3.24Å; E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 PolarHBondContact O-N 2.92Å
113	E	87.7	Confident	83.5	Confident	19 Å²	19	47 Å²	47	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-75.2	-168.9	-143.2	0	0	111.5	T78 I82 N109 R116 F117	T78-E113 VanDerWaalsContact CB-OE2 3.26Å; T78-E113 WeakPolarHBondContact CB-OE2 3.49Å; T78-E113 HydrophobicContact CG2-CB 4.37Å; T78-E113 WeakPolarHBondContact CG2-OE2 3.39Å; I82-E113 HydrophobicContact CD1-CB 3.79Å; N109-E113 PolarHBondContact ND2-OE1 2.73Å; N109-E113 WeakPolarHBondContact O-CB 3.48Å; N109-E113 WeakPolarHBondContact O-CG 3.37Å; N109-E113 PolarHBondContact O-N 3.47Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-F117 HydrophobicContact CB-CD2 3.96Å; E113-F117 HydrophobicContact CB-CE2 3.57Å; E113-F117 HydrophobicContact CB-CZ 4.3Å; E113-F117 HydrophobicContact CG-CD2 4.48Å; E113-F117 HydrophobicContact CG-CE2 3.6Å; E113-F117 HydrophobicContact CG-CZ 4.01Å; E113-F117 WeakPolarHBondContact O-CB 3.19Å; E113-F117 VanDerWaalsContact O-CD2 3.22Å; E113-F117 WeakPolarHBondContact O-CD2 3.4Å; E113-F117 VanDerWaalsContact O-CG 3.27Å; E113-F117 WeakPolarHBondContact O-CG 3.31Å; E113-F117 PolarHBondContact O-N 3.34Å; E113-F117 WeakPolarHBondContact OE2-CE2 3.29Å
114	M	87.5	Confident	83.7	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-50.9	173.3	-77.6	-65.2	-58.6	0	0	111.8	I82 W110 R116 A118 L121 C123 V148	I82-M114 HydrophobicContact CB-SD 4.43Å; I82-M114 HydrophobicContact CD1-CG 4.3Å; I82-M114 HydrophobicContact CD1-SD 3.99Å; I82-M114 HydrophobicContact CG1-SD 3.67Å; I82-M114 HydrophobicContact CG2-SD 4.06Å; W110-M114 VanDerWaalsContact O-CB 3.28Å; W110-M114 WeakPolarHBondContact O-CB 3.24Å; W110-M114 WeakPolarHBondContact O-CG 3.22Å; W110-M114 PolarHBondContact O-N 3.33Å; M114-R116 PolarHBondContact O-N 3.24Å; M114-A118 HydrophobicContact CE-CB 4.38Å; M114-A118 CarbonylContact O-C 3.6Å; M114-A118 VanDerWaalsContact O-C 3.3Å; M114-A118 WeakPolarHBondContact O-CA 3.49Å; M114-A118 PolarHBondContact O-N 2.79Å; M114-L121 HydrophobicContact CE-CB 4.16Å; M114-L121 HydrophobicContact CE-CD1 4.13Å; M114-C123 HydrophobicContact CB-CB 4.47Å; M114-C123 HydrophobicContact CE-CB 4.21Å; M114-V148 HydrophobicContact CE-CB 4.26Å; M114-V148 HydrophobicContact CE-CG1 4.36Å; M114-V148 HydrophobicContact CE-CG2 3.8Å
115	Q	86.4	Confident	84.1	Confident	127 Å²	127	44.4 Å²	44.4	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-62.4	-30.9	178.8	-74.5	179.2	-13.7	0	0	113	K111 E112	K111-Q115 WeakPolarHBondContact O-CB 3.46Å; K111-Q115 VanDerWaalsContact O-CG 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.47Å; K111-Q115 PolarHBondContact O-N 2.78Å; E112-Q115 PolarHBondContact O-N 3.29Å
116	R	83.8	Confident	84.7	Confident	152 Å²	152	43.9 Å²	43.9	57%	0.574	24%	0.242	S	C	*	.	H	α-helix	trans	-82.8	-40.6	-179.1	-175.8	177.8	167.2	-178.6	-5.5	113.3	T42 G43 E112 E113 M114	T42-R116 PolarHBondContact OG1-O 3.11Å; T42-R116 VanDerWaalsContact OG1-O 3.06Å; G43-R116 PolarHBondContact O-NH2 2.99Å; E112-R116 VanDerWaalsContact O-CB 3.24Å; E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 PolarHBondContact O-N 2.92Å; E113-R116 PolarHBondContact O-N 2.95Å; M114-R116 PolarHBondContact O-N 3.24Å
117	F	82.8	Confident	84.8	Confident	10 Å²	10	44.8 Å²	44.8	4%	0.044	25%	0.25	C	S	.	.	H	α-helix	trans	-98.2	-30.3	-171.8	-50.9	-31.3	0	0	0	113.7	L41 T42 I44 I82 E113 P119	L41-F117 WeakPolarHBondContact CA-O 3.28Å; L41-F117 HydrophobicContact CD1-CB 4.29Å; T42-F117 PolarHBondContact N-O 3.43Å; T42-F117 WeakPolarHBondContact O-CA 3.49Å; I44-F117 HydrophobicContact CB-CD1 4.33Å; I44-F117 HydrophobicContact CB-CE1 4.32Å; I44-F117 HydrophobicContact CD1-CD1 3.98Å; I44-F117 HydrophobicContact CD1-CE1 3.21Å; I44-F117 HydrophobicContact CD1-CE2 4.02Å; I44-F117 HydrophobicContact CD1-CZ 3.25Å; I44-F117 HydrophobicContact CG1-CD1 3.97Å; I44-F117 HydrophobicContact CG1-CE1 3.48Å; I44-F117 VanDerWaalsContact CG1-CE1 3.48Å; I44-F117 HydrophobicContact CG1-CZ 4.07Å; I82-F117 HydrophobicContact CD1-CD2 3.94Å; I82-F117 HydrophobicContact CG2-CB 4.05Å; E113-F117 HydrophobicContact CB-CD2 3.96Å; E113-F117 HydrophobicContact CB-CE2 3.57Å; E113-F117 HydrophobicContact CB-CZ 4.3Å; E113-F117 HydrophobicContact CG-CD2 4.48Å; E113-F117 HydrophobicContact CG-CE2 3.6Å; E113-F117 HydrophobicContact CG-CZ 4.01Å; E113-F117 WeakPolarHBondContact O-CB 3.19Å; E113-F117 VanDerWaalsContact O-CD2 3.22Å; E113-F117 WeakPolarHBondContact O-CD2 3.4Å; E113-F117 VanDerWaalsContact O-CG 3.27Å; E113-F117 WeakPolarHBondContact O-CG 3.31Å; E113-F117 PolarHBondContact O-N 3.34Å; E113-F117 WeakPolarHBondContact OE2-CE2 3.29Å; F117-P119 VanDerWaalsContact C-CD 3.47Å
118	A	82.8	Confident	84.7	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	26%	0.262	C	S	.	.			trans	-131.1	57.4	-176.8	0	0	0	0	0	112	I82 I86 M114 G120 L121	I82-A118 HydrophobicContact CG2-CB 3.82Å; I86-A118 HydrophobicContact CD1-CB 3.86Å; I86-A118 HydrophobicContact CG1-CB 3.92Å; M114-A118 HydrophobicContact CE-CB 4.38Å; M114-A118 CarbonylContact O-C 3.6Å; M114-A118 VanDerWaalsContact O-C 3.3Å; M114-A118 WeakPolarHBondContact O-CA 3.49Å; M114-A118 PolarHBondContact O-N 2.79Å; A118-G120 PolarHBondContact O-N 3.37Å; A118-L121 HydrophobicContact CB-CB 4.38Å; A118-L121 HydrophobicContact CB-CD1 3.89Å; A118-L121 HydrophobicContact CB-CG 4.18Å; A118-L121 PolarHBondContact O-N 3.04Å
119	P	79.3	Confident	84.7	Confident	82 Å²	82	50.4 Å²	50.4	53%	0.532	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.7	-177.1	27.7	-36.4	0	0	0	114.1	T42 F117	T42-P119 HydrophobicContact CG2-CG 4.45Å; T42-P119 WeakPolarHBondContact OG1-CD 3.42Å; T42-P119 WeakPolarHBondContact OG1-CG 3.41Å; F117-P119 VanDerWaalsContact C-CD 3.47Å
120	G	76.3	Confident	84.7	Confident	70 Å²	70	57.1 Å²	57.1	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.6	173.3	0	0	0	0	0	115	A118	A118-G120 PolarHBondContact O-N 3.37Å
121	L	80.9	Confident	84.4	Confident	22 Å²	22	64.7 Å²	64.7	12%	0.115	35%	0.35	C	S	.	.	S	Bend	trans	-93.1	122.7	179.7	-65.6	179.9	0	0	0	111	F85 I86 A89 M114 A118 C123 H147	F85-L121 HydrophobicContact CB-CD1 3.91Å; I86-L121 HydrophobicContact CG1-CD1 4.49Å; A89-L121 HydrophobicContact CB-CD2 3.89Å; M114-L121 HydrophobicContact CE-CB 4.16Å; M114-L121 HydrophobicContact CE-CD1 4.13Å; A118-L121 HydrophobicContact CB-CB 4.38Å; A118-L121 HydrophobicContact CB-CD1 3.89Å; A118-L121 HydrophobicContact CB-CG 4.18Å; A118-L121 PolarHBondContact O-N 3.04Å; L121-C123 PolarHBondContact O-N 3Å; L121-C123 VanDerWaalsContact O-N 3.15Å; L121-H147 HydrophobicContact CD2-CB 4.28Å
122	S	84.4	Confident	84.3	Confident	55 Å²	55	66 Å²	66	39%	0.385	36%	0.358	S	S	.	.			trans	-69.8	111.3	173.8	-176.4	0	0	0	0	110.3	H147 V148	S122-H147 PolarHBondContact N-ND1 2.81Å; S122-H147 PolarHBondContact O-N 3.36Å; S122-V148 PolarHBondContact O-N 2.9Å
123	C	86.3	Confident	84.4	Confident	33 Å²	33	61.6 Å²	61.6	22%	0.223	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.4	-175.4	-173.1	0	0	0	0	110.9	M114 L121 V148 L150	M114-C123 HydrophobicContact CB-CB 4.47Å; M114-C123 HydrophobicContact CE-CB 4.21Å; L121-C123 PolarHBondContact O-N 3Å; L121-C123 VanDerWaalsContact O-N 3.15Å; C123-V148 WeakPolarHBondContact CA-O 3.45Å; C123-V148 HydrophobicContact CB-CB 4.3Å; C123-L150 VanDerWaalsContact SG-CD1 3.54Å
124	V	88.1	Confident	84.3	Confident	33 Å²	33	62.7 Å²	62.7	20%	0.2	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.5	-179	-178.9	0	0	0	0	110.1	L140 F146 V148 L149 L150	V124-L140 HydrophobicContact CB-CD2 4.48Å; V124-L140 HydrophobicContact CG1-CD2 4.22Å; V124-L140 HydrophobicContact CG2-CD2 4.33Å; V124-F146 HydrophobicContact CG2-CB 3.84Å; V124-V148 PolarHBondContact N-O 3.37Å; V124-L149 HydrophobicContact CB-CD1 4.01Å; V124-L149 HydrophobicContact CG1-CD1 4.09Å; V124-L150 PolarHBondContact O-N 3.27Å
125	T	89.6	Confident	84.1	Confident	25 Å²	25	66 Å²	66	15%	0.153	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110	175.6	-45.3	0	0	0	0	109.6	L107 K111 A127	L107-T125 HydrophobicContact CD1-CG2 4.3Å; L107-T125 HydrophobicContact CD2-CG2 3.5Å; L107-T125 HydrophobicContact CG-CG2 4.09Å; K111-T125 WeakPolarHBondContact CD-OG1 3.23Å; K111-T125 WeakPolarHBondContact CE-OG1 3.32Å; K111-T125 PolarHBondContact NZ-OG1 3.48Å; T125-A127 HydrophobicContact CG2-CB 4.43Å; T125-A127 PolarHBondContact O-N 3.25Å
126	Y	88.3	Confident	84	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.353	C	S	.	.			trans	-95	78.3	177.3	-169.3	-100.9	0	0	0	110.4	R133 L136 Q137 L140 L150 T151 I155 D159 F162	Y126-R133 HydrophobicContact CE2-CB 4.3Å; Y126-R133 HydrophobicContact CE2-CG 4.29Å; Y126-L136 HydrophobicContact CD2-CB 4.26Å; Y126-L136 HydrophobicContact CD2-CD1 4.43Å; Y126-L136 HydrophobicContact CE2-CB 4.25Å; Y126-Q137 HydrophobicContact CE2-CG 4.07Å; Y126-Q137 PolarHBondContact OH-NE2 3.46Å; Y126-L140 HydrophobicContact CD2-CD1 4.19Å; Y126-L150 PolarHBondContact N-O 2.57Å; Y126-T151 PolarHBondContact O-OG1 2.85Å; Y126-I155 HydrophobicContact CD1-CG2 3.54Å; Y126-I155 HydrophobicContact CE1-CG2 3.39Å; Y126-D159 HydrophobicContact CE1-CB 4.24Å; Y126-D159 WeakPolarHBondContact CE1-OD2 3.32Å; Y126-D159 VanDerWaalsContact CZ-OD2 3.3Å; Y126-D159 PolarHBondContact OH-OD2 3.13Å; Y126-F162 HydrophobicContact CE2-CE1 4.39Å
127	A	84.7	Confident	84	Confident	28 Å²	28	57 Å²	57	23%	0.231	34%	0.336	C	S	.	.			trans	-145.8	157	174.1	0	0	0	0	0	110.2	L107 T125 I155	L107-A127 HydrophobicContact CD1-CB 3.99Å; T125-A127 HydrophobicContact CG2-CB 4.43Å; T125-A127 PolarHBondContact O-N 3.25Å; A127-I155 HydrophobicContact CB-CD1 3.97Å
128	G	82	Confident	84	Confident	34 Å²	34	62.2 Å²	62.2	35%	0.351	36%	0.361	S	S	.	.	S	Bend	trans	133.2	-173.8	-179.6	0	0	0	0	0	113.6	E132 R133	G128-E132 WeakPolarHBondContact CA-OE2 3.43Å; G128-R133 PolarHBondContact O-NE 2.87Å
129	D	82.4	Confident	84	Confident	126 Å²	126	65.8 Å²	65.8	67%	0.674	38%	0.379	S	S	*	.			trans	-71.5	172.2	-178.7	-80.9	-31.8	0	0	0	112.4	E131 E132 R133	D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 3.38Å; D129-E132 PolarHBondContact N-OE2 3.31Å; D129-E132 PolarHBondContact O-N 2.87Å; D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3.42Å; D129-R133 PolarHBondContact O-NE 3.06Å
130	K	83.4	Confident	84.1	Confident	168 Å²	168	62.4 Å²	62.4	73%	0.73	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-35	-175.4	-172.8	-178	174.9	-172.1	0	112.9	A134	K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 3.12Å; K130-A134 VanDerWaalsContact O-N 3.13Å
131	E	84.3	Confident	84	Confident	161 Å²	161	65.7 Å²	65.7	75%	0.752	35%	0.351	S	S	*	.	H	α-helix	trans	-74.8	-47.8	-179.6	-62.5	179.9	-176.3	0	0	111.1	D129 R133 A134 C135	D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 3.38Å; E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 3.42Å; E131-A134 WeakPolarHBondContact O-CB 3.38Å; E131-A134 PolarHBondContact O-N 3.45Å; E131-C135 PolarHBondContact O-N 2.86Å
132	E	84.5	Confident	83.5	Confident	110 Å²	110	71.8 Å²	71.8	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-45.3	175.2	-59.3	-179.8	134.4	0	0	111.7	G128 D129 A134 C135 L136	G128-E132 WeakPolarHBondContact CA-OE2 3.43Å; D129-E132 PolarHBondContact N-OE2 3.31Å; D129-E132 PolarHBondContact O-N 2.87Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.34Å; E132-C135 PolarHBondContact O-N 3.06Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.48Å
133	R	86.9	Confident	82.3	Confident	33 Å²	33	76.3 Å²	76.3	13%	0.125	39%	0.394	C	S	.	.	H	α-helix	trans	-64.2	-34.6	175.2	-73.4	-175.7	-63	113	3.8	112.8	Y126 G128 D129 E131 L136 Q137 D159	Y126-R133 HydrophobicContact CE2-CB 4.3Å; Y126-R133 HydrophobicContact CE2-CG 4.29Å; G128-R133 PolarHBondContact O-NE 2.87Å; D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3.42Å; D129-R133 PolarHBondContact O-NE 3.06Å; E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 3.42Å; R133-L136 PolarHBondContact O-N 2.09Å; R133-Q137 WeakPolarHBondContact O-CB 3.2Å; R133-Q137 VanDerWaalsContact O-CG 3.25Å; R133-Q137 WeakPolarHBondContact O-CG 3.21Å; R133-Q137 PolarHBondContact O-N 3.49Å; R133-D159 IonicContact CZ-OD2 2.7Å; R133-D159 IonicContact NH1-OD1 3.25Å; R133-D159 PolarHBondContact NH1-OD1 2.95Å; R133-D159 IonicContact NH1-OD2 3.37Å; R133-D159 PolarHBondContact NH1-OD2 3.13Å
134	A	84.7	Confident	80.8	Confident	43 Å²	43	80.3 Å²	80.3	36%	0.355	42%	0.422	S	S	.	.	H	α-helix	trans	-68	-38.3	176.4	0	0	0	0	0	112.1	K130 E131 E132 Q138	K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 3.12Å; K130-A134 VanDerWaalsContact O-N 3.13Å; E131-A134 WeakPolarHBondContact O-CB 3.38Å; E131-A134 PolarHBondContact O-N 3.45Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.34Å; A134-Q138 WeakPolarHBondContact O-CG 3.29Å; A134-Q138 PolarHBondContact O-N 3.25Å
135	C	84	Confident	79.7	Confident	71 Å²	71	86.8 Å²	86.8	48%	0.48	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-52.5	170.3	-66.8	0	0	0	0	111.1	E131 E132 Q137 Q138 D139	E131-C135 PolarHBondContact O-N 2.86Å; E132-C135 PolarHBondContact O-N 3.06Å; C135-Q137 VanDerWaalsContact C-N 3.25Å; C135-Q137 PolarHBondContact O-N 2.93Å; C135-Q138 WeakPolarHBondContact O-CA 3.2Å; C135-Q138 WeakPolarHBondContact O-CB 3.36Å; C135-Q138 PolarHBondContact O-N 2.84Å; C135-D139 PolarHBondContact O-N 3Å
136	L	84.8	Confident	79.2	Confident	45 Å²	45	86.6 Å²	86.6	24%	0.236	44%	0.44	C	S	.	.	H	α-helix	trans	-57.2	-35.9	177.8	-70.1	171.6	0	0	0	112.9	Y126 E132 R133 Q138 D139 L140	Y126-L136 HydrophobicContact CD2-CB 4.26Å; Y126-L136 HydrophobicContact CD2-CD1 4.43Å; Y126-L136 HydrophobicContact CE2-CB 4.25Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.48Å; R133-L136 PolarHBondContact O-N 2.09Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.17Å; L136-D139 PolarHBondContact O-N 3.07Å; L136-L140 VanDerWaalsContact O-CB 3.23Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 WeakPolarHBondContact O-CD1 3.34Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 2.77Å
137	Q	84.5	Confident	79	Confident	46 Å²	46	87.8 Å²	87.8	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-66.8	-27.7	173.4	-79.7	-177.7	16.7	0	0	113.8	Y126 R133 C135 K141 F162	Y126-Q137 HydrophobicContact CE2-CG 4.07Å; Y126-Q137 PolarHBondContact OH-NE2 3.46Å; R133-Q137 WeakPolarHBondContact O-CB 3.2Å; R133-Q137 VanDerWaalsContact O-CG 3.25Å; R133-Q137 WeakPolarHBondContact O-CG 3.21Å; R133-Q137 PolarHBondContact O-N 3.49Å; C135-Q137 VanDerWaalsContact C-N 3.25Å; C135-Q137 PolarHBondContact O-N 2.93Å; Q137-K141 VanDerWaalsContact O-CD 3.28Å; Q137-K141 WeakPolarHBondContact O-CD 3.36Å; Q137-K141 WeakPolarHBondContact O-CG 3.42Å; Q137-F162 HydrophobicContact CB-CE2 4.38Å; Q137-F162 HydrophobicContact CB-CZ 4.32Å; Q137-F162 HydrophobicContact CG-CD1 3.8Å; Q137-F162 HydrophobicContact CG-CD2 4.22Å; Q137-F162 HydrophobicContact CG-CE1 3.8Å; Q137-F162 HydrophobicContact CG-CE2 4.21Å; Q137-F162 HydrophobicContact CG-CG 4.01Å; Q137-F162 HydrophobicContact CG-CZ 4Å
138	Q	82.3	Confident	79.2	Confident	119 Å²	119	86.4 Å²	86.4	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-78.3	-46.1	173.9	-69.3	176.1	9.3	0	0	110.1	A134 C135 L136 K141 Q142	A134-Q138 WeakPolarHBondContact O-CG 3.29Å; A134-Q138 PolarHBondContact O-N 3.25Å; C135-Q138 WeakPolarHBondContact O-CA 3.2Å; C135-Q138 WeakPolarHBondContact O-CB 3.36Å; C135-Q138 PolarHBondContact O-N 2.84Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.17Å; Q138-K141 PolarHBondContact O-N 2.97Å; Q138-K141 VanDerWaalsContact O-N 3.11Å; Q138-Q142 WeakPolarHBondContact O-CG 2.44Å; Q138-Q142 PolarHBondContact O-N 2.83Å; Q138-Q142 VanDerWaalsContact O-N 3.15Å
139	D	81.9	Confident	79.6	Confident	77 Å²	77	84.8 Å²	84.8	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-59.3	-49.7	178.3	-57.6	-25	0	0	0	110.7	C135 L136 K141 Q142 E143	C135-D139 PolarHBondContact O-N 3Å; L136-D139 PolarHBondContact O-N 3.07Å; D139-K141 PolarHBondContact O-N 3.06Å; D139-K141 VanDerWaalsContact O-N 3.13Å; D139-Q142 PolarHBondContact O-N 2.96Å; D139-E143 PolarHBondContact O-N 2.86Å
140	L	81.3	Confident	80	Confident	12 Å²	12	78.8 Å²	78.8	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-64.4	-15.7	177.1	-70.5	168.2	0	0	0	114.6	V124 Y126 L136 F146 L149 F162	V124-L140 HydrophobicContact CB-CD2 4.48Å; V124-L140 HydrophobicContact CG1-CD2 4.22Å; V124-L140 HydrophobicContact CG2-CD2 4.33Å; Y126-L140 HydrophobicContact CD2-CD1 4.19Å; L136-L140 VanDerWaalsContact O-CB 3.23Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 WeakPolarHBondContact O-CD1 3.34Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 2.77Å; L140-F146 HydrophobicContact CD2-CB 4.42Å; L140-F146 HydrophobicContact CD2-CD1 3.37Å; L140-F146 HydrophobicContact CD2-CE1 3.66Å; L140-F146 HydrophobicContact CD2-CG 3.87Å; L140-F146 HydrophobicContact CD2-CZ 4.37Å; L140-L149 HydrophobicContact CD1-CD1 4.03Å; L140-L149 HydrophobicContact CD2-CD1 4.45Å; L140-F162 HydrophobicContact CB-CZ 4.07Å; L140-F162 HydrophobicContact CD1-CE1 4.23Å; L140-F162 HydrophobicContact CD1-CZ 4.2Å
141	K	75.1	Confident	80.5	Confident	139 Å²	139	70.8 Å²	70.8	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-90.9	-19.3	172.3	-74.9	174.7	-171.5	177.7	0	112.9	Q137 Q138 D139 F162	Q137-K141 VanDerWaalsContact O-CD 3.28Å; Q137-K141 WeakPolarHBondContact O-CD 3.36Å; Q137-K141 WeakPolarHBondContact O-CG 3.42Å; Q138-K141 PolarHBondContact O-N 2.97Å; Q138-K141 VanDerWaalsContact O-N 3.11Å; D139-K141 PolarHBondContact O-N 3.06Å; D139-K141 VanDerWaalsContact O-N 3.13Å; K141-F162 HydrophobicContact CD-CE2 4.39Å; K141-F162 VanDerWaalsContact CE-CE2 3.47Å; K141-F162 HydrophobicContact CG-CE2 4.09Å
142	Q	69.3	Low	80.8	Confident	150 Å²	150	63.3 Å²	63.3	70%	0.701	32%	0.316	S	S	*	.	H	α-helix	trans	-97.7	-44.8	179.2	-67.1	-179.7	32.8	0	0	111.3	Q138 D139 S144	Q138-Q142 WeakPolarHBondContact O-CG 2.44Å; Q138-Q142 PolarHBondContact O-N 2.83Å; Q138-Q142 VanDerWaalsContact O-N 3.15Å; D139-Q142 PolarHBondContact O-N 2.96Å; Q142-S144 PolarHBondContact O-N 2.89Å
143	E	60.2	Low	81	Confident	150 Å²	150	58.6 Å²	58.6	70%	0.701	29%	0.294	S	S	*	.			trans	-90.6	85.4	177.3	-62.9	-166.6	161.1	0	0	110.7	D139 R145	D139-E143 PolarHBondContact O-N 2.86Å; E143-R145 PolarHBondContact O-N 3.35Å
144	S	55.5	Low	81.1	Confident	117 Å²	117	61.4 Å²	61.4	82%	0.818	31%	0.308	S	S	*	.			trans	-71.6	25.6	-175.3	53.1	0	0	0	0	115.9	Q142	Q142-S144 PolarHBondContact O-N 2.89Å
145	R	64.4	Low	81.3	Confident	169 Å²	169	60.3 Å²	60.3	64%	0.638	30%	0.296	S	S	*	.			trans	-142.7	58.2	-174.9	-153.3	174	-172.5	172.2	-1.3	114.9	E95 E143	E95-R145 IonicContact OE1-CZ 2.86Å; E95-R145 IonicContact OE1-NH2 2.74Å; E95-R145 PolarHBondContact OE1-NH2 3.23Å; E95-R145 IonicContact OE2-CZ 2.83Å; E95-R145 IonicContact OE2-NE 3.3Å; E95-R145 PolarHBondContact OE2-NE 3.11Å; E95-R145 IonicContact OE2-NH2 2.79Å; E95-R145 PolarHBondContact OE2-NH2 3.41Å; E143-R145 PolarHBondContact O-N 3.35Å
146	F	79.1	Confident	81.6	Confident	20 Å²	20	57 Å²	57	9%	0.088	27%	0.274	C	S	.	.			trans	-95.8	145.6	158.1	67.3	-86.1	0	0	0	109.7	P97 V124 L140 L149 F166 W168	P97-F146 HydrophobicContact CB-CE2 3.81Å; P97-F146 HydrophobicContact CB-CZ 4.18Å; V124-F146 HydrophobicContact CG2-CB 3.84Å; L140-F146 HydrophobicContact CD2-CB 4.42Å; L140-F146 HydrophobicContact CD2-CD1 3.37Å; L140-F146 HydrophobicContact CD2-CE1 3.66Å; L140-F146 HydrophobicContact CD2-CG 3.87Å; L140-F146 HydrophobicContact CD2-CZ 4.37Å; F146-L149 HydrophobicContact CD2-CB 4.34Å; F146-L149 HydrophobicContact CE2-CB 4Å; F146-F166 HydrophobicContact CE1-CD1 4.49Å; F146-F166 AromaticContact CE1-CE1 3.96Å; F146-F166 HydrophobicContact CE1-CE1 3.96Å; F146-F166 HydrophobicContact CE1-CZ 4.44Å; F146-F166 HydrophobicContact CZ-CD1 4.11Å; F146-F166 AromaticContact CZ-CE1 3.96Å; F146-F166 HydrophobicContact CZ-CE1 3.96Å; F146-F166 HydrophobicContact CZ-CZ 4.43Å; F146-W168 HydrophobicContact CE2-CH2 4.27Å; F146-W168 HydrophobicContact CE2-CZ3 4.16Å; F146-W168 HydrophobicContact CZ-CH2 4.47Å
147	H	83.6	Confident	81.8	Confident	25 Å²	25	57.6 Å²	57.6	12%	0.116	28%	0.277	C	S	.	.	S	Bend	trans	-95.7	-41.6	179.5	-60.7	69.4	0	0	0	110.9	E95 F98 L121 S122	E95-H147 WeakPolarHBondContact O-CA 3.25Å; E95-H147 PolarHBondContact O-CD2 2.93Å; E95-H147 VanDerWaalsContact O-CD2 3.24Å; E95-H147 IonicContact OE2-NE2 3.79Å; F98-H147 VanDerWaalsContact CD2-O 3.31Å; F98-H147 WeakPolarHBondContact CD2-O 3.37Å; F98-H147 PolarHBondContact N-O 3.46Å; L121-H147 HydrophobicContact CD2-CB 4.28Å; S122-H147 PolarHBondContact N-ND1 2.81Å; S122-H147 PolarHBondContact O-N 3.36Å
148	V	88.1	Confident	82	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.4	-174.2	177.5	0	0	0	0	110.7	F98 I100 M114 S122 C123 V124	F98-V148 HydrophobicContact CB-CG2 4.3Å; F98-V148 HydrophobicContact CD2-CG2 3.96Å; F98-V148 WeakPolarHBondContact O-CA 3.44Å; I100-V148 HydrophobicContact CD1-CG1 3.45Å; I100-V148 VanDerWaalsContact CD1-CG1 3.45Å; I100-V148 HydrophobicContact CG1-CG1 3.99Å; M114-V148 HydrophobicContact CE-CB 4.26Å; M114-V148 HydrophobicContact CE-CG1 4.36Å; M114-V148 HydrophobicContact CE-CG2 3.8Å; S122-V148 PolarHBondContact O-N 2.9Å; C123-V148 WeakPolarHBondContact CA-O 3.45Å; C123-V148 HydrophobicContact CB-CB 4.3Å; V124-V148 PolarHBondContact N-O 3.37Å
149	L	91	Very high	82.3	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.1	169.7	-163.5	71.5	0	0	0	110.5	F98 L99 I100 V124 L140 F146 L163 W168	F98-L149 PolarHBondContact O-N 2.75Å; L99-L149 HydrophobicContact CD1-CB 4.21Å; L99-L149 HydrophobicContact CD1-CD2 4.24Å; L99-L149 HydrophobicContact CD1-CG 4.49Å; I100-L149 PolarHBondContact N-O 3.11Å; V124-L149 HydrophobicContact CB-CD1 4.01Å; V124-L149 HydrophobicContact CG1-CD1 4.09Å; L140-L149 HydrophobicContact CD1-CD1 4.03Å; L140-L149 HydrophobicContact CD2-CD1 4.45Å; F146-L149 HydrophobicContact CD2-CB 4.34Å; F146-L149 HydrophobicContact CE2-CB 4Å; L149-L163 HydrophobicContact CD2-CD2 3.59Å; L149-W168 HydrophobicContact CB-CH2 4.01Å; L149-W168 HydrophobicContact CB-CZ3 4.13Å; L149-W168 HydrophobicContact CD2-CH2 3.72Å; L149-W168 HydrophobicContact CD2-CZ2 4.42Å
150	L	92.2	Very high	82.6	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.4	173.4	-86.8	163.7	0	0	0	110.3	I100 W110 K111 C123 V124 Y126	I100-L150 HydrophobicContact CB-CD2 3.69Å; I100-L150 HydrophobicContact CB-CG 4.38Å; I100-L150 HydrophobicContact CD1-CD2 4.04Å; I100-L150 HydrophobicContact CD1-CG 4.35Å; I100-L150 HydrophobicContact CG1-CD2 4.46Å; I100-L150 HydrophobicContact CG2-CD2 3.63Å; W110-L150 HydrophobicContact CB-CD1 4.09Å; W110-L150 HydrophobicContact CB-CD2 3.64Å; W110-L150 HydrophobicContact CG-CD2 4.09Å; K111-L150 HydrophobicContact CB-CD1 4.31Å; C123-L150 VanDerWaalsContact SG-CD1 3.54Å; V124-L150 PolarHBondContact O-N 3.27Å; Y126-L150 PolarHBondContact N-O 2.57Å
151	T	92.4	Very high	82.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	170.3	175.3	-171.3	0	0	0	0	112.4	L99 I100 L101 C102 Y126 I155 C156 L163	L99-T151 HydrophobicContact CD1-CG2 3.85Å; I100-T151 PolarHBondContact O-N 2.83Å; L101-T151 HydrophobicContact CD2-CG2 3.41Å; L101-T151 VanDerWaalsContact CD2-CG2 3.41Å; C102-T151 PolarHBondContact N-O 3.41Å; C102-T151 VanDerWaalsContact N-O 3.11Å; Y126-T151 PolarHBondContact O-OG1 2.85Å; T151-I155 WeakPolarHBondContact OG1-CG2 3.47Å; T151-C156 HydrophobicContact CG2-CB 4.48Å; T151-L163 HydrophobicContact CG2-CD1 4.46Å
152	T	91.3	Very high	83.5	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.268	C	S	.	.			trans	-102.7	161.4	176.4	83.1	0	0	0	0	111.8	C102 L104 L107 E154 I155 C156	C102-T152 WeakPolarHBondContact O-CA 3.28Å; L104-T152 HydrophobicContact CB-CG2 4.1Å; L104-T152 HydrophobicContact CD1-CG2 4Å; L107-T152 HydrophobicContact CD1-CG2 3.59Å; T152-E154 VanDerWaalsContact C-N 3.28Å; T152-E154 VanDerWaalsContact CB-OE2 3.23Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 3.42Å; T152-E154 PolarHBondContact OG1-OE2 3.29Å; T152-I155 HydrophobicContact CG2-CD1 4.42Å; T152-I155 PolarHBondContact O-N 2.77Å; T152-C156 WeakPolarHBondContact O-CB 3.33Å; T152-C156 PolarHBondContact O-N 3.13Å
153	Y	88.8	Confident	84.3	Confident	12 Å²	12	46 Å²	46	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-38.2	-179.8	-42.4	-77.4	0	0	0	112.8	L101 P103 C156 L157 V173 D174 R178 L186	L101-Y153 HydrophobicContact CB-CD1 4.38Å; L101-Y153 HydrophobicContact CB-CE1 4.33Å; P103-Y153 HydrophobicContact CB-CE2 4.37Å; P103-Y153 WeakPolarHBondContact CD-OH 3.19Å; P103-Y153 HydrophobicContact CG-CE2 3.96Å; Y153-C156 PolarHBondContact O-N 3.43Å; Y153-L157 WeakPolarHBondContact O-CG 3.33Å; Y153-L157 PolarHBondContact O-N 3.38Å; Y153-V173 HydrophobicContact CE1-CG1 3.98Å; Y153-D174 PolarHBondContact OH-O 3.44Å; Y153-R178 HydrophobicContact CE1-CB 4.48Å; Y153-R178 HydrophobicContact CE2-CG 4.08Å; Y153-L186 HydrophobicContact CD1-CD1 4.37Å; Y153-L186 HydrophobicContact CD1-CD2 3.71Å; Y153-L186 HydrophobicContact CE1-CD2 4.44Å; Y153-L186 HydrophobicContact CG-CD2 4.18Å
154	E	88.1	Confident	85.6	Confident	92 Å²	92	42.8 Å²	42.8	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-36.8	-178.3	-53.1	77.6	-168.9	0	0	111.6	T152 K158	T152-E154 VanDerWaalsContact C-N 3.28Å; T152-E154 VanDerWaalsContact CB-OE2 3.23Å; T152-E154 WeakPolarHBondContact CB-OE2 3.46Å; T152-E154 PolarHBondContact O-N 3.42Å; T152-E154 PolarHBondContact OG1-OE2 3.29Å; E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.04Å
155	I	89.4	Confident	87.1	Confident	20 Å²	20	41 Å²	41	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-74.9	-40.7	176.8	-65.9	165.3	0	0	0	109.8	Y126 A127 T151 T152 L157 K158 D159	Y126-I155 HydrophobicContact CD1-CG2 3.54Å; Y126-I155 HydrophobicContact CE1-CG2 3.39Å; A127-I155 HydrophobicContact CB-CD1 3.97Å; T151-I155 WeakPolarHBondContact OG1-CG2 3.47Å; T152-I155 HydrophobicContact CG2-CD1 4.42Å; T152-I155 PolarHBondContact O-N 2.77Å; I155-L157 PolarHBondContact O-N 3.02Å; I155-K158 PolarHBondContact O-N 3.39Å; I155-K158 VanDerWaalsContact O-N 3.13Å; I155-D159 PolarHBondContact O-N 2.96Å
156	C	89.8	Confident	88	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-36.8	174.6	-172.6	0	0	0	0	112.8	L101 T151 T152 Y153 A160 L163	L101-C156 HydrophobicContact CD2-CB 3.82Å; T151-C156 HydrophobicContact CG2-CB 4.48Å; T152-C156 WeakPolarHBondContact O-CB 3.33Å; T152-C156 PolarHBondContact O-N 3.13Å; Y153-C156 PolarHBondContact O-N 3.43Å; C156-A160 WeakPolarHBondContact O-CA 3.38Å; C156-A160 WeakPolarHBondContact O-CB 3.29Å; C156-A160 PolarHBondContact O-N 3.48Å; C156-L163 HydrophobicContact CB-CD1 4.11Å
157	L	89.2	Confident	88.4	Confident	59 Å²	59	37.8 Å²	37.8	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-72.3	-39.9	174.7	-75.4	175.3	0	0	0	113.1	Y153 I155 L185 L186 T189	Y153-L157 WeakPolarHBondContact O-CG 3.33Å; Y153-L157 PolarHBondContact O-N 3.38Å; I155-L157 PolarHBondContact O-N 3.02Å; L157-L185 HydrophobicContact CD1-CD2 4.45Å; L157-L185 HydrophobicContact CD2-CB 4.3Å; L157-L185 HydrophobicContact CD2-CD2 3.91Å; L157-L185 HydrophobicContact CD2-CG 3.75Å; L157-L186 HydrophobicContact CD2-CB 4.49Å; L157-L186 HydrophobicContact CD2-CD1 4.4Å; L157-L186 HydrophobicContact CG-CD1 4.24Å; L157-T189 HydrophobicContact CD2-CG2 4.4Å
158	K	89.1	Confident	88.6	Confident	154 Å²	154	36.7 Å²	36.7	67%	0.67	20%	0.199	S	C	*	.	H	α-helix	trans	-69.3	-43.1	-179.5	-74.4	171.2	-177.5	179.5	0	112.6	E154 I155	E154-K158 VanDerWaalsContact O-CG 3.3Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.04Å; I155-K158 PolarHBondContact O-N 3.39Å; I155-K158 VanDerWaalsContact O-N 3.13Å
159	D	89.3	Confident	88.5	Confident	19 Å²	19	37.6 Å²	37.6	10%	0.102	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	25	-174	-57	-26.9	0	0	0	112.4	Y126 R133 I155 S161 F162 L163	Y126-D159 HydrophobicContact CE1-CB 4.24Å; Y126-D159 WeakPolarHBondContact CE1-OD2 3.32Å; Y126-D159 VanDerWaalsContact CZ-OD2 3.3Å; Y126-D159 PolarHBondContact OH-OD2 3.13Å; R133-D159 IonicContact CZ-OD2 2.7Å; R133-D159 IonicContact NH1-OD1 3.25Å; R133-D159 PolarHBondContact NH1-OD1 2.95Å; R133-D159 IonicContact NH1-OD2 3.37Å; R133-D159 PolarHBondContact NH1-OD2 3.13Å; I155-D159 PolarHBondContact O-N 2.96Å; D159-S161 PolarHBondContact O-N 3.39Å; D159-S161 VanDerWaalsContact O-N 3.12Å; D159-F162 PolarHBondContact O-N 2.86Å; D159-L163 PolarHBondContact O-N 3.26Å; D159-L163 VanDerWaalsContact O-N 3.13Å
160	A	87.9	Confident	88.4	Confident	13 Å²	13	37.6 Å²	37.6	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-52.7	-35.8	-177.3	0	0	0	0	0	113.4	C156 F162 L163 K164 T189	C156-A160 WeakPolarHBondContact O-CA 3.38Å; C156-A160 WeakPolarHBondContact O-CB 3.29Å; C156-A160 PolarHBondContact O-N 3.48Å; A160-F162 VanDerWaalsContact C-N 3.3Å; A160-F162 PolarHBondContact O-N 3.42Å; A160-L163 PolarHBondContact O-N 2.98Å; A160-K164 WeakPolarHBondContact O-CB 3.39Å; A160-K164 WeakPolarHBondContact O-CD 3.35Å; A160-K164 WeakPolarHBondContact O-CG 3.43Å; A160-K164 PolarHBondContact O-N 2.74Å; A160-T189 HydrophobicContact CB-CG2 3.54Å
161	S	87.1	Confident	88.4	Confident	104 Å²	104	37.7 Å²	37.7	73%	0.727	21%	0.207	S	C	*	.	H	α-helix	trans	-64.8	-30.6	177.9	51.3	0	0	0	0	113.7	D159	D159-S161 PolarHBondContact O-N 3.39Å; D159-S161 VanDerWaalsContact O-N 3.12Å
162	F	87.4	Confident	88.4	Confident	10 Å²	10	37.7 Å²	37.7	4%	0.044	21%	0.207	C	C	.	.	H	α-helix	trans	-81.1	-45.1	174.6	171.2	-111.4	0	0	0	111.2	Y126 Q137 L140 K141 D159 A160 K164 S165 F166	Y126-F162 HydrophobicContact CE2-CE1 4.39Å; Q137-F162 HydrophobicContact CB-CE2 4.38Å; Q137-F162 HydrophobicContact CB-CZ 4.32Å; Q137-F162 HydrophobicContact CG-CD1 3.8Å; Q137-F162 HydrophobicContact CG-CD2 4.22Å; Q137-F162 HydrophobicContact CG-CE1 3.8Å; Q137-F162 HydrophobicContact CG-CE2 4.21Å; Q137-F162 HydrophobicContact CG-CG 4.01Å; Q137-F162 HydrophobicContact CG-CZ 4Å; L140-F162 HydrophobicContact CB-CZ 4.07Å; L140-F162 HydrophobicContact CD1-CE1 4.23Å; L140-F162 HydrophobicContact CD1-CZ 4.2Å; K141-F162 HydrophobicContact CD-CE2 4.39Å; K141-F162 VanDerWaalsContact CE-CE2 3.47Å; K141-F162 HydrophobicContact CG-CE2 4.09Å; D159-F162 PolarHBondContact O-N 2.86Å; A160-F162 VanDerWaalsContact C-N 3.3Å; A160-F162 PolarHBondContact O-N 3.42Å; F162-K164 PolarHBondContact O-N 3.35Å; F162-S165 PolarHBondContact O-N 2.81Å; F162-S165 PolarHBondContact O-OG 3.41Å; F162-F166 HydrophobicContact CD2-CE2 4.16Å; F162-F166 HydrophobicContact CE1-CE2 4.01Å; F162-F166 AromaticContact CE2-CE2 3.61Å; F162-F166 HydrophobicContact CE2-CE2 3.61Å; F162-F166 AromaticContact CE2-CZ 3.89Å; F162-F166 HydrophobicContact CE2-CZ 3.89Å; F162-F166 AromaticContact CZ-CE2 3.54Å; F162-F166 HydrophobicContact CZ-CE2 3.54Å; F162-F166 AromaticContact CZ-CZ 3.79Å; F162-F166 HydrophobicContact CZ-CZ 3.79Å
163	L	87	Confident	88.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-26.5	-179.6	-63.8	174.2	0	0	0	112.9	L149 T151 C156 D159 A160 S165 W168 F193	L149-L163 HydrophobicContact CD2-CD2 3.59Å; T151-L163 HydrophobicContact CG2-CD1 4.46Å; C156-L163 HydrophobicContact CB-CD1 4.11Å; D159-L163 PolarHBondContact O-N 3.26Å; D159-L163 VanDerWaalsContact O-N 3.13Å; A160-L163 PolarHBondContact O-N 2.98Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 2.88Å; L163-W168 HydrophobicContact CD2-CZ2 4.23Å; L163-W168 PolarHBondContact O-NE1 3.13Å; L163-F193 HydrophobicContact CB-CE2 3.87Å; L163-F193 HydrophobicContact CB-CZ 3.78Å
164	K	87.3	Confident	88.5	Confident	82 Å²	82	37.7 Å²	37.7	36%	0.357	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	172.3	-78.8	171.7	-179	-174.7	0	115.2	A160 F162 F166 E192 F193	A160-K164 WeakPolarHBondContact O-CB 3.39Å; A160-K164 WeakPolarHBondContact O-CD 3.35Å; A160-K164 WeakPolarHBondContact O-CG 3.43Å; A160-K164 PolarHBondContact O-N 2.74Å; F162-K164 PolarHBondContact O-N 3.35Å; K164-F166 PolarHBondContact O-N 3.39Å; K164-E192 WeakPolarHBondContact CE-OE2 3.33Å; K164-E192 IonicContact NZ-OE2 3.31Å; K164-E192 PolarHBondContact NZ-OE2 3.24Å; K164-F193 HydrophobicContact CD-CD1 4.41Å; K164-F193 HydrophobicContact CD-CE1 4.31Å; K164-F193 HydrophobicContact CG-CD1 3.51Å; K164-F193 HydrophobicContact CG-CE1 3.52Å; K164-F193 HydrophobicContact CG-CG 4.48Å; K164-F193 HydrophobicContact CG-CZ 4.49Å
165	S	85.9	Confident	88.3	Confident	78 Å²	78	34 Å²	34	55%	0.545	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	-178.8	64.9	0	0	0	0	113.7	F162 L163	F162-S165 PolarHBondContact O-N 2.81Å; F162-S165 PolarHBondContact O-OG 3.41Å; L163-S165 VanDerWaalsContact C-N 3.31Å; L163-S165 PolarHBondContact O-N 2.88Å
166	F	84.6	Confident	87.9	Confident	34 Å²	34	33.1 Å²	33.1	15%	0.149	19%	0.185	C	C	.	.	S	Bend	trans	-101.6	132.3	178	-60.4	-86.3	0	0	0	110.3	P97 F146 F162 K164 W168	P97-F166 HydrophobicContact CG-CB 4.49Å; F146-F166 HydrophobicContact CE1-CD1 4.49Å; F146-F166 AromaticContact CE1-CE1 3.96Å; F146-F166 HydrophobicContact CE1-CE1 3.96Å; F146-F166 HydrophobicContact CE1-CZ 4.44Å; F146-F166 HydrophobicContact CZ-CD1 4.11Å; F146-F166 AromaticContact CZ-CE1 3.96Å; F146-F166 HydrophobicContact CZ-CE1 3.96Å; F146-F166 HydrophobicContact CZ-CZ 4.43Å; F162-F166 HydrophobicContact CD2-CE2 4.16Å; F162-F166 HydrophobicContact CE1-CE2 4.01Å; F162-F166 AromaticContact CE2-CE2 3.61Å; F162-F166 HydrophobicContact CE2-CE2 3.61Å; F162-F166 AromaticContact CE2-CZ 3.89Å; F162-F166 HydrophobicContact CE2-CZ 3.89Å; F162-F166 AromaticContact CZ-CE2 3.54Å; F162-F166 HydrophobicContact CZ-CE2 3.54Å; F162-F166 AromaticContact CZ-CZ 3.79Å; F162-F166 HydrophobicContact CZ-CZ 3.79Å; K164-F166 PolarHBondContact O-N 3.39Å; F166-W168 HydrophobicContact CB-CD2 4.31Å; F166-W168 HydrophobicContact CB-CH2 4.31Å; F166-W168 HydrophobicContact CB-CZ2 3.75Å; F166-W168 HydrophobicContact CD2-CZ2 4.09Å; F166-W168 HydrophobicContact CG-CH2 4.49Å; F166-W168 HydrophobicContact CG-CZ2 4.16Å; F166-W168 PolarHBondContact O-NE1 3.21Å
167	P	85.9	Confident	87.2	Confident	88 Å²	88	34.9 Å²	34.9	57%	0.571	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-78	117.6	165.5	31.4	-30	0	0	0	108.6	P97	P97-P167 WeakPolarHBondContact CD-O 3.25Å; P97-P167 VanDerWaalsContact CG-O 3.3Å; P97-P167 WeakPolarHBondContact CG-O 3.42Å
168	W	88.5	Confident	86.6	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.8	-174.5	-60.4	98.6	0	0	0	111.3	P97 L99 F146 L149 L163 F166 S194 V195 V196	P97-W168 HydrophobicContact CB-CE3 3.83Å; P97-W168 HydrophobicContact CB-CZ3 3.74Å; P97-W168 HydrophobicContact CG-CE3 3.94Å; P97-W168 HydrophobicContact CG-CZ3 4.21Å; L99-W168 HydrophobicContact CB-CD2 3.75Å; L99-W168 HydrophobicContact CB-CE3 3.52Å; L99-W168 HydrophobicContact CB-CG 4.37Å; L99-W168 HydrophobicContact CB-CH2 4.23Å; L99-W168 HydrophobicContact CB-CZ2 4.44Å; L99-W168 HydrophobicContact CB-CZ3 3.76Å; L99-W168 HydrophobicContact CD1-CH2 4.12Å; L99-W168 HydrophobicContact CD1-CZ2 4.36Å; L99-W168 HydrophobicContact CD1-CZ3 4.38Å; L99-W168 HydrophobicContact CD2-CD2 4.27Å; L99-W168 HydrophobicContact CD2-CZ2 4.14Å; F146-W168 HydrophobicContact CE2-CH2 4.27Å; F146-W168 HydrophobicContact CE2-CZ3 4.16Å; F146-W168 HydrophobicContact CZ-CH2 4.47Å; L149-W168 HydrophobicContact CB-CH2 4.01Å; L149-W168 HydrophobicContact CB-CZ3 4.13Å; L149-W168 HydrophobicContact CD2-CH2 3.72Å; L149-W168 HydrophobicContact CD2-CZ2 4.42Å; L163-W168 HydrophobicContact CD2-CZ2 4.23Å; L163-W168 PolarHBondContact O-NE1 3.13Å; F166-W168 HydrophobicContact CB-CD2 4.31Å; F166-W168 HydrophobicContact CB-CH2 4.31Å; F166-W168 HydrophobicContact CB-CZ2 3.75Å; F166-W168 HydrophobicContact CD2-CZ2 4.09Å; F166-W168 HydrophobicContact CG-CH2 4.49Å; F166-W168 HydrophobicContact CG-CZ2 4.16Å; F166-W168 PolarHBondContact O-NE1 3.21Å; W168-S194 PolarHBondContact N-O 2.92Å; W168-V195 HydrophobicContact CB-CG2 4.32Å; W168-V195 WeakPolarHBondContact O-CA 3.38Å; W168-V196 PolarHBondContact O-N 2.82Å
169	S	87.3	Confident	86	Confident	20 Å²	20	31.5 Å²	31.5	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-43	174	-57.2	0	0	0	0	110.7	D94 P97 V196 F197	D94-S169 PolarHBondContact OD1-OG 2.91Å; D94-S169 WeakPolarHBondContact OD2-CB 3.43Å; D94-S169 PolarHBondContact OD2-OG 3.47Å; P97-S169 PolarHBondContact O-N 2.93Å; S169-V196 WeakPolarHBondContact O-CB 3.43Å; S169-F197 PolarHBondContact O-N 2.84Å; S169-F197 VanDerWaalsContact O-N 3.1Å
170	V	88.9	Confident	85.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.7	178.7	179.4	0	0	0	0	111.2	F61 F85 L88 F98 L99 V172 F197	F61-V170 HydrophobicContact CD2-CG2 4.42Å; F61-V170 HydrophobicContact CE2-CG2 3.89Å; F85-V170 HydrophobicContact CE1-CB 4.17Å; F85-V170 HydrophobicContact CE1-CG1 3.97Å; L88-V170 HydrophobicContact CD1-CG2 3.66Å; F98-V170 HydrophobicContact CD1-CB 3.69Å; F98-V170 HydrophobicContact CD1-CG2 3.75Å; F98-V170 HydrophobicContact CE1-CB 4.38Å; F98-V170 HydrophobicContact CE1-CG2 3.92Å; F98-V170 HydrophobicContact CG-CB 4.49Å; L99-V170 PolarHBondContact N-O 3.11Å; V170-V172 HydrophobicContact CG1-CG2 3.91Å; V170-F197 WeakPolarHBondContact CA-O 3.47Å; V170-F197 HydrophobicContact CG1-CD1 3.98Å; V170-F197 HydrophobicContact CG2-CB 4.38Å; V170-F197 HydrophobicContact CG2-CD1 4.12Å
171	L	91.6	Very high	84.8	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.4	164.7	177.5	61.2	0	0	0	110.1	L99 L101 V173 V195 F197 L199 F219	L99-L171 HydrophobicContact CB-CD1 3.96Å; L99-L171 HydrophobicContact CD2-CD1 3.83Å; L99-L171 HydrophobicContact CG-CD1 3.83Å; L101-L171 HydrophobicContact CD1-CD1 3.88Å; L101-L171 HydrophobicContact CG-CD1 4.07Å; L171-V173 HydrophobicContact CD1-CG2 4.42Å; L171-V173 HydrophobicContact CD2-CG2 4.26Å; L171-V173 HydrophobicContact CG-CG2 4.04Å; L171-V195 HydrophobicContact CB-CB 4.48Å; L171-V195 HydrophobicContact CB-CG1 3.56Å; L171-V195 HydrophobicContact CB-CG2 4.04Å; L171-V195 HydrophobicContact CD2-CG2 4.17Å; L171-F197 PolarHBondContact N-O 2.91Å; L171-L199 PolarHBondContact O-N 2.93Å; L171-F219 HydrophobicContact CD2-CE1 4.29Å; L171-F219 HydrophobicContact CD2-CZ 3.81Å
172	V	93	Very high	84.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.5	168.9	-177.3	0	0	0	0	109.5	T81 F85 L99 I100 L101 W110 V170 L199 L201	T81-V172 HydrophobicContact CG2-CG1 4.03Å; T81-V172 HydrophobicContact CG2-CG2 3.75Å; F85-V172 HydrophobicContact CE1-CG2 4.15Å; F85-V172 HydrophobicContact CE2-CG2 4.45Å; F85-V172 HydrophobicContact CZ-CG2 3.53Å; L99-V172 PolarHBondContact O-N 3.04Å; I100-V172 HydrophobicContact CG1-CB 4.3Å; I100-V172 HydrophobicContact CG2-CB 4.41Å; I100-V172 HydrophobicContact CG2-CG1 4.46Å; L101-V172 PolarHBondContact N-O 3.34Å; W110-V172 HydrophobicContact CH2-CG1 4.44Å; V170-V172 HydrophobicContact CG1-CG2 3.91Å; V172-L199 CarbonylContact C-O 3.36Å; V172-L199 WeakPolarHBondContact CA-O 3.5Å; V172-L199 HydrophobicContact CG2-CB 4.33Å; V172-L199 HydrophobicContact CG2-CD2 4.14Å; V172-L199 HydrophobicContact CG2-CG 4.48Å; V172-L201 HydrophobicContact CG1-CD1 3.8Å; V172-L201 HydrophobicContact CG1-CG 4.03Å
173	V	91.6	Very high	83.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.4	170.4	-167.2	0	0	0	0	108.8	L101 Y153 L171 L179 L199 L200 L201 F219	L101-V173 HydrophobicContact CB-CG1 4.4Å; L101-V173 HydrophobicContact CD1-CG2 4.32Å; Y153-V173 HydrophobicContact CE1-CG1 3.98Å; L171-V173 HydrophobicContact CD1-CG2 4.42Å; L171-V173 HydrophobicContact CD2-CG2 4.26Å; L171-V173 HydrophobicContact CG-CG2 4.04Å; V173-L179 HydrophobicContact CB-CD1 4.37Å; V173-L179 HydrophobicContact CG1-CD1 3.92Å; V173-L179 HydrophobicContact CG2-CD1 4.25Å; V173-L199 PolarHBondContact N-O 3.33Å; V173-L200 HydrophobicContact CB-CD2 3.66Å; V173-L200 HydrophobicContact CG2-CD2 3.77Å; V173-L201 PolarHBondContact O-N 3.03Å; V173-F219 HydrophobicContact CG2-CE1 4.38Å
174	D	89.9	Confident	83.8	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.08	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	156.2	169.7	-160.5	6.4	0	0	0	110.5	L101 C102 W110 Y153 A176 L201	L101-D174 PolarHBondContact O-N 2.86Å; C102-D174 HydrophobicContact CB-CB 3.91Å; W110-D174 HydrophobicContact CZ2-CB 4.32Å; W110-D174 PolarHBondContact NE1-OD2 3.45Å; Y153-D174 PolarHBondContact OH-O 3.44Å; D174-A176 VanDerWaalsContact C-N 3.27Å; D174-A176 PolarHBondContact O-N 2.97Å; D174-L201 HydrophobicContact CB-CD1 4.38Å
175	E	84	Confident	83.7	Confident	15 Å²	15	40.2 Å²	40.2	7%	0.07	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.8	52.3	-177.4	-71.8	-68.9	-174.1	0	0	113.5	M73 P103 H177 R178 L201 Q450	M73-E175 VanDerWaalsContact CE-OE1 3.29Å; M73-E175 WeakPolarHBondContact CE-OE1 3.29Å; P103-E175 HydrophobicContact CG-CB 4.01Å; P103-E175 HydrophobicContact CG-CG 4.15Å; E175-H177 PolarHBondContact O-N 3.09Å; E175-H177 PolarHBondContact O-ND1 3.14Å; E175-H177 IonicContact OE2-CE1 3.7Å; E175-H177 PolarHBondContact OE2-CE1 3.38Å; E175-H177 VanDerWaalsContact OE2-CE1 3.23Å; E175-H177 IonicContact OE2-ND1 3.65Å; E175-H177 PolarHBondContact OE2-ND1 3.14Å; E175-R178 PolarHBondContact O-N 3.22Å; E175-R178 VanDerWaalsContact O-N 3.09Å; E175-L201 WeakPolarHBondContact CA-O 3.16Å; E175-L201 PolarHBondContact N-O 3.26Å; E175-L201 VanDerWaalsContact N-O 3.14Å; E175-Q450 PolarHBondContact OE1-NE2 3.18Å
176	A	81.3	Confident	83.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.9	-6.1	-174	0	0	0	0	0	115.1	D174 R178 L179 L200 L201	D174-A176 VanDerWaalsContact C-N 3.27Å; D174-A176 PolarHBondContact O-N 2.97Å; A176-R178 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 3.34Å; A176-L200 HydrophobicContact CB-CB 3.78Å; A176-L200 HydrophobicContact CB-CD1 4.28Å; A176-L200 HydrophobicContact CB-CD2 4.08Å; A176-L200 HydrophobicContact CB-CG 4.28Å; A176-L201 PolarHBondContact N-O 3.23Å
177	H	75.1	Confident	83.8	Confident	38 Å²	38	35.4 Å²	35.4	18%	0.176	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58	-3.8	163.8	79.8	-102.4	0	0	0	113.6	E175 K180	E175-H177 PolarHBondContact O-N 3.09Å; E175-H177 PolarHBondContact O-ND1 3.14Å; E175-H177 IonicContact OE2-CE1 3.7Å; E175-H177 PolarHBondContact OE2-CE1 3.38Å; E175-H177 VanDerWaalsContact OE2-CE1 3.23Å; E175-H177 IonicContact OE2-ND1 3.65Å; E175-H177 PolarHBondContact OE2-ND1 3.14Å; H177-K180 WeakPolarHBondContact O-CE 3.36Å; H177-K180 WeakPolarHBondContact O-CG 3.32Å
178	R	76.2	Confident	83.8	Confident	141 Å²	141	36.3 Å²	36.3	53%	0.532	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-80.7	-15.8	166.9	-67.6	-67.5	179.5	147.3	1.2	114.2	Y153 E175 A176	Y153-R178 HydrophobicContact CE1-CB 4.48Å; Y153-R178 HydrophobicContact CE2-CG 4.08Å; E175-R178 PolarHBondContact O-N 3.22Å; E175-R178 VanDerWaalsContact O-N 3.09Å; A176-R178 PolarHBondContact O-N 3.44Å
179	L	77	Confident	83.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.			trans	-98.5	14.4	-176.8	-69.8	175	0	0	0	114.8	V173 A176 N181 L186 H187 L190 L200 S215 L216 F219	V173-L179 HydrophobicContact CB-CD1 4.37Å; V173-L179 HydrophobicContact CG1-CD1 3.92Å; V173-L179 HydrophobicContact CG2-CD1 4.25Å; A176-L179 PolarHBondContact O-N 3.34Å; L179-N181 PolarHBondContact O-N 3.2Å; L179-L186 HydrophobicContact CD2-CB 4.42Å; L179-L186 HydrophobicContact CD2-CD2 3.74Å; L179-L186 HydrophobicContact CD2-CG 3.82Å; L179-L186 HydrophobicContact CG-CD2 4.48Å; L179-H187 HydrophobicContact CD2-CB 4.3Å; L179-L190 HydrophobicContact CD2-CD1 4.19Å; L179-L200 HydrophobicContact CD1-CD2 4Å; L179-S215 PolarHBondContact O-OG 2.99Å; L179-S215 VanDerWaalsContact O-OG 3.06Å; L179-L216 HydrophobicContact CB-CD2 3.96Å; L179-F219 HydrophobicContact CD1-CD1 4.14Å; L179-F219 HydrophobicContact CD1-CE1 4.13Å; L179-F219 HydrophobicContact CD1-CG 4.37Å; L179-F219 HydrophobicContact CD1-CZ 4.37Å
180	K	74.8	Confident	83.8	Confident	65 Å²	65	36 Å²	36	28%	0.283	18%	0.18	S	C	.	.			trans	-54.5	-17.7	-173.9	-47.4	179.1	170.2	-83.5	0	116.5	H177 E212 S215	H177-K180 WeakPolarHBondContact O-CE 3.36Å; H177-K180 WeakPolarHBondContact O-CG 3.32Å; K180-E212 HydrophobicContact CB-CB 4.26Å; K180-E212 HydrophobicContact CB-CG 3.83Å; K180-E212 HydrophobicContact CG-CG 3.92Å; K180-E212 IonicContact NZ-OE1 3.9Å; K180-E212 PolarHBondContact NZ-OE1 3.03Å; K180-E212 IonicContact NZ-OE2 2.64Å; K180-E212 PolarHBondContact NZ-OE2 2.79Å; K180-S215 WeakPolarHBondContact O-CB 3.25Å
181	N	77.3	Confident	83.5	Confident	83 Å²	83	38.5 Å²	38.5	44%	0.444	20%	0.197	S	C	.	.			trans	-132	110.9	-166.6	-177.3	-5.1	0	0	0	110.4	L179 S183 S184 S215	L179-N181 PolarHBondContact O-N 3.2Å; N181-S183 PolarHBondContact ND2-OG 2.98Å; N181-S183 VanDerWaalsContact ND2-OG 3.11Å; N181-S183 PolarHBondContact O-N 3.29Å; N181-S183 VanDerWaalsContact O-N 3.14Å; N181-S183 WeakPolarHBondContact OD1-CB 3.41Å; N181-S183 PolarHBondContact OD1-N 3.45Å; N181-S183 PolarHBondContact OD1-OG 3.34Å; N181-S184 WeakPolarHBondContact O-CB 3.26Å; N181-S184 PolarHBondContact O-N 3.1Å; N181-S215 PolarHBondContact N-OG 3.01Å
182	Q	77.2	Confident	83.3	Confident	37 Å²	37	44 Å²	44	17%	0.173	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.7	176.2	-59.9	177.8	-25.9	0	0	114	S184 S215	Q182-S184 VanDerWaalsContact C-N 3.31Å; Q182-S215 VanDerWaalsContact CG-OG 3.27Å; Q182-S215 WeakPolarHBondContact CG-OG 3.38Å; Q182-S215 PolarHBondContact N-OG 3.03Å
183	S	78.4	Confident	83	Confident	73 Å²	73	44.8 Å²	44.8	51%	0.51	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.3	176.3	70	0	0	0	0	113.8	N181 K188	N181-S183 PolarHBondContact ND2-OG 2.98Å; N181-S183 VanDerWaalsContact ND2-OG 3.11Å; N181-S183 PolarHBondContact O-N 3.29Å; N181-S183 VanDerWaalsContact O-N 3.14Å; N181-S183 WeakPolarHBondContact OD1-CB 3.41Å; N181-S183 PolarHBondContact OD1-N 3.45Å; N181-S183 PolarHBondContact OD1-OG 3.34Å; S183-K188 WeakPolarHBondContact O-CE 3.34Å; S183-K188 PolarHBondContact O-NZ 2.65Å
184	S	83.3	Confident	82.7	Confident	42 Å²	42	48.5 Å²	48.5	29%	0.294	25%	0.252	S	S	.	.	S	Bend	trans	-60	140.2	179.2	-176.7	0	0	0	0	111.7	N181 Q182 L186 H187 K188	N181-S184 WeakPolarHBondContact O-CB 3.26Å; N181-S184 PolarHBondContact O-N 3.1Å; Q182-S184 VanDerWaalsContact C-N 3.31Å; S184-L186 PolarHBondContact O-N 3.23Å; S184-H187 PolarHBondContact O-N 3.01Å; S184-H187 VanDerWaalsContact O-N 3.17Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.11Å
185	L	85.3	Confident	82.5	Confident	112 Å²	112	50 Å²	50	59%	0.586	26%	0.262	S	S	*	.	H	α-helix	trans	-56.4	-39.8	176.8	-171.7	67.6	0	0	0	111.5	L157 H187 K188 T189	L157-L185 HydrophobicContact CD1-CD2 4.45Å; L157-L185 HydrophobicContact CD2-CB 4.3Å; L157-L185 HydrophobicContact CD2-CD2 3.91Å; L157-L185 HydrophobicContact CD2-CG 3.75Å; L185-H187 PolarHBondContact O-N 3.06Å; L185-K188 PolarHBondContact O-N 3.46Å; L185-T189 WeakPolarHBondContact O-CB 3.34Å; L185-T189 PolarHBondContact O-N 3.11Å; L185-T189 PolarHBondContact O-OG1 2.83Å; L185-T189 VanDerWaalsContact O-OG1 3.06Å
186	L	86.7	Confident	82.6	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-45.7	178.4	-176	67.3	0	0	0	112	Y153 L157 L179 S184 L190	Y153-L186 HydrophobicContact CD1-CD1 4.37Å; Y153-L186 HydrophobicContact CD1-CD2 3.71Å; Y153-L186 HydrophobicContact CE1-CD2 4.44Å; Y153-L186 HydrophobicContact CG-CD2 4.18Å; L157-L186 HydrophobicContact CD2-CB 4.49Å; L157-L186 HydrophobicContact CD2-CD1 4.4Å; L157-L186 HydrophobicContact CG-CD1 4.24Å; L179-L186 HydrophobicContact CD2-CB 4.42Å; L179-L186 HydrophobicContact CD2-CD2 3.74Å; L179-L186 HydrophobicContact CD2-CG 3.82Å; L179-L186 HydrophobicContact CG-CD2 4.48Å; S184-L186 PolarHBondContact O-N 3.23Å; L186-L190 HydrophobicContact CD1-CD1 3.97Å; L186-L190 HydrophobicContact CD1-CG 4.23Å; L186-L190 HydrophobicContact CG-CD1 4.02Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.38Å
187	H	86	Confident	82.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-41.8	178.3	-171.9	-41.6	0	0	0	111.1	L179 S184 L185 S191 S215 F219	L179-H187 HydrophobicContact CD2-CB 4.3Å; S184-H187 PolarHBondContact O-N 3.01Å; S184-H187 VanDerWaalsContact O-N 3.17Å; L185-H187 PolarHBondContact O-N 3.06Å; H187-S191 PolarHBondContact CE1-OG 3.33Å; H187-S191 PolarHBondContact ND1-OG 3.07Å; H187-S191 WeakPolarHBondContact O-CB 3.06Å; H187-S191 PolarHBondContact O-N 3.31Å; H187-S191 PolarHBondContact O-OG 2.86Å; H187-S191 VanDerWaalsContact O-OG 3.05Å; H187-S215 PolarHBondContact NE2-O 2.93Å; H187-F219 AromaticContact CE1-CD2 3.85Å; H187-F219 AromaticContact ND1-CD2 3.96Å
188	K	86.5	Confident	83.6	Confident	107 Å²	107	52.1 Å²	52.1	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-50.7	177.3	-68.2	177.1	-179.9	172.8	0	111.5	S183 S184 L185 L190 S191 E192	S183-K188 WeakPolarHBondContact O-CE 3.34Å; S183-K188 PolarHBondContact O-NZ 2.65Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.11Å; L185-K188 PolarHBondContact O-N 3.46Å; K188-L190 PolarHBondContact O-N 2.88Å; K188-S191 PolarHBondContact O-N 3.43Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.71Å
189	T	87.9	Confident	84.3	Confident	12 Å²	12	45.4 Å²	45.4	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-41.5	179.8	-62.1	0	0	0	0	112.4	L157 A160 L185 E192 F193	L157-T189 HydrophobicContact CD2-CG2 4.4Å; A160-T189 HydrophobicContact CB-CG2 3.54Å; L185-T189 WeakPolarHBondContact O-CB 3.34Å; L185-T189 PolarHBondContact O-N 3.11Å; L185-T189 PolarHBondContact O-OG1 2.83Å; L185-T189 VanDerWaalsContact O-OG1 3.06Å; T189-E192 WeakPolarHBondContact O-CB 3.31Å; T189-E192 PolarHBondContact O-N 3.34Å; T189-F193 HydrophobicContact CG2-CE1 3.75Å; T189-F193 HydrophobicContact CG2-CZ 4.24Å; T189-F193 WeakPolarHBondContact O-CD1 3.37Å; T189-F193 VanDerWaalsContact O-CE1 3.27Å; T189-F193 WeakPolarHBondContact O-CE1 3.47Å
190	L	86.9	Confident	85	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-74.2	-32.4	178.5	-65.5	178.9	0	0	0	113.1	L101 L179 L186 K188 E192 F193 F219	L101-L190 HydrophobicContact CD1-CD1 3.57Å; L101-L190 HydrophobicContact CD1-CD2 3.47Å; L101-L190 VanDerWaalsContact CD1-CD2 3.47Å; L101-L190 HydrophobicContact CD1-CG 4.16Å; L179-L190 HydrophobicContact CD2-CD1 4.19Å; L186-L190 HydrophobicContact CD1-CD1 3.97Å; L186-L190 HydrophobicContact CD1-CG 4.23Å; L186-L190 HydrophobicContact CG-CD1 4.02Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.38Å; K188-L190 PolarHBondContact O-N 2.88Å; L190-E192 PolarHBondContact O-N 3.38Å; L190-F193 HydrophobicContact CD2-CD2 4.08Å; L190-F193 HydrophobicContact CD2-CE2 3.86Å; L190-F193 HydrophobicContact CD2-CZ 4.19Å; L190-F193 PolarHBondContact O-N 3.37Å; L190-F193 VanDerWaalsContact O-N 3.16Å; L190-F219 HydrophobicContact CB-CE2 3.54Å; L190-F219 HydrophobicContact CB-CZ 3.82Å; L190-F219 HydrophobicContact CD1-CE2 4.4Å; L190-F219 HydrophobicContact CD1-CZ 4.19Å
191	S	84.7	Confident	85.7	Confident	51 Å²	51	42.3 Å²	42.3	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-12.4	169.8	-67.1	0	0	0	0	113.7	H187 K188	H187-S191 PolarHBondContact CE1-OG 3.33Å; H187-S191 PolarHBondContact ND1-OG 3.07Å; H187-S191 WeakPolarHBondContact O-CB 3.06Å; H187-S191 PolarHBondContact O-N 3.31Å; H187-S191 PolarHBondContact O-OG 2.86Å; H187-S191 VanDerWaalsContact O-OG 3.05Å; K188-S191 PolarHBondContact O-N 3.43Å
192	E	86.5	Confident	86	Confident	118 Å²	118	38.4 Å²	38.4	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.2	175.5	-66.8	162.5	177.5	0	0	112.5	K164 K188 T189 L190	K164-E192 WeakPolarHBondContact CE-OE2 3.33Å; K164-E192 IonicContact NZ-OE2 3.31Å; K164-E192 PolarHBondContact NZ-OE2 3.24Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.71Å; T189-E192 WeakPolarHBondContact O-CB 3.31Å; T189-E192 PolarHBondContact O-N 3.34Å; L190-E192 PolarHBondContact O-N 3.38Å
193	F	86.7	Confident	85.8	Confident	16 Å²	16	36.9 Å²	36.9	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-89.4	142.8	178.1	-73.7	21.2	0	0	0	110	L99 L163 K164 T189 L190 V195	L99-F193 HydrophobicContact CD2-CD2 4.14Å; L99-F193 HydrophobicContact CD2-CE2 3.88Å; L163-F193 HydrophobicContact CB-CE2 3.87Å; L163-F193 HydrophobicContact CB-CZ 3.78Å; K164-F193 HydrophobicContact CD-CD1 4.41Å; K164-F193 HydrophobicContact CD-CE1 4.31Å; K164-F193 HydrophobicContact CG-CD1 3.51Å; K164-F193 HydrophobicContact CG-CE1 3.52Å; K164-F193 HydrophobicContact CG-CG 4.48Å; K164-F193 HydrophobicContact CG-CZ 4.49Å; T189-F193 HydrophobicContact CG2-CE1 3.75Å; T189-F193 HydrophobicContact CG2-CZ 4.24Å; T189-F193 WeakPolarHBondContact O-CD1 3.37Å; T189-F193 VanDerWaalsContact O-CE1 3.27Å; T189-F193 WeakPolarHBondContact O-CE1 3.47Å; L190-F193 HydrophobicContact CD2-CD2 4.08Å; L190-F193 HydrophobicContact CD2-CE2 3.86Å; L190-F193 HydrophobicContact CD2-CZ 4.19Å; L190-F193 PolarHBondContact O-N 3.37Å; L190-F193 VanDerWaalsContact O-N 3.16Å; F193-V195 HydrophobicContact CB-CG2 3.93Å; F193-V195 PolarHBondContact O-N 3Å
194	S	84.8	Confident	85.3	Confident	79 Å²	79	34.7 Å²	34.7	55%	0.552	20%	0.196	S	C	*	.			trans	-78.3	111	168.5	-175.2	0	0	0	0	108.8	W168	W168-S194 PolarHBondContact N-O 2.92Å
195	V	86.2	Confident	84	Confident	46 Å²	46	32.8 Å²	32.8	28%	0.279	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.7	-176.6	179.8	0	0	0	0	108.5	W168 L171 F193 F197	W168-V195 HydrophobicContact CB-CG2 4.32Å; W168-V195 WeakPolarHBondContact O-CA 3.38Å; L171-V195 HydrophobicContact CB-CB 4.48Å; L171-V195 HydrophobicContact CB-CG1 3.56Å; L171-V195 HydrophobicContact CB-CG2 4.04Å; L171-V195 HydrophobicContact CD2-CG2 4.17Å; F193-V195 HydrophobicContact CB-CG2 3.93Å; F193-V195 PolarHBondContact O-N 3Å; V195-F197 WeakPolarHBondContact CG1-O 3.41Å
196	V	85.3	Confident	82.8	Confident	83 Å²	83	28.6 Å²	28.6	50%	0.503	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-41.3	176.2	-178.2	0	0	0	0	112	W168 S169	W168-V196 PolarHBondContact O-N 2.82Å; S169-V196 WeakPolarHBondContact O-CB 3.43Å
197	F	86.9	Confident	81.2	Confident	3 Å²	3	29.6 Å²	29.6	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.7	-179.1	178.4	-102.1	0	0	0	112	R60 F61 N65 C67 L84 S169 V170 L171 V195 L199	R60-F197 HydrophobicContact CB-CE2 4.03Å; R60-F197 HydrophobicContact CB-CZ 4.35Å; F61-F197 HydrophobicContact CB-CD2 4.32Å; F61-F197 HydrophobicContact CB-CE2 4.08Å; F61-F197 HydrophobicContact CB-CZ 4.26Å; F61-F197 HydrophobicContact CD2-CB 3.8Å; F61-F197 AromaticContact CD2-CD1 3.81Å; F61-F197 HydrophobicContact CD2-CD1 3.81Å; F61-F197 AromaticContact CD2-CD2 3.99Å; F61-F197 HydrophobicContact CD2-CD2 3.99Å; F61-F197 HydrophobicContact CD2-CE1 4.29Å; F61-F197 HydrophobicContact CD2-CE2 4.44Å; F61-F197 AromaticContact CD2-CG 3.62Å; F61-F197 HydrophobicContact CD2-CG 3.62Å; F61-F197 HydrophobicContact CE2-CB 3.91Å; F61-F197 HydrophobicContact CE2-CD1 4.47Å; F61-F197 HydrophobicContact CE2-CG 4.22Å; N65-F197 WeakPolarHBondContact O-CE2 3.38Å; C67-F197 WeakPolarHBondContact SG-CZ 3.44Å; L84-F197 HydrophobicContact CD2-CE1 4.09Å; S169-F197 PolarHBondContact O-N 2.84Å; S169-F197 VanDerWaalsContact O-N 3.1Å; V170-F197 WeakPolarHBondContact CA-O 3.47Å; V170-F197 HydrophobicContact CG1-CD1 3.98Å; V170-F197 HydrophobicContact CG2-CB 4.38Å; V170-F197 HydrophobicContact CG2-CD1 4.12Å; L171-F197 PolarHBondContact N-O 2.91Å; V195-F197 WeakPolarHBondContact CG1-O 3.41Å; F197-L199 HydrophobicContact CE1-CB 4.14Å
198	S	90.4	Very high	79.7	Confident	12 Å²	12	34.7 Å²	34.7	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.3	179.4	70.8	0	0	0	0	111.6	G66 C67 V220	G66-S198 WeakPolarHBondContact CA-O 3.46Å; C67-S198 PolarHBondContact N-O 3.1Å; S198-V220 WeakPolarHBondContact OG-CA 3.38Å; S198-V220 PolarHBondContact OG-O 3Å
199	L	91.6	Very high	78.6	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111.3	176.9	169.6	56.9	0	0	0	110.1	L57 C67 L69 T81 L84 L171 V172 V173 F197 L201	L57-L199 HydrophobicContact CD2-CD1 3.81Å; L57-L199 HydrophobicContact CD2-CD2 4.48Å; C67-L199 WeakPolarHBondContact O-CA 3.32Å; C67-L199 VanDerWaalsContact SG-CD1 3.54Å; L69-L199 HydrophobicContact CB-CD1 4.17Å; T81-L199 HydrophobicContact CG2-CD2 3.83Å; L84-L199 HydrophobicContact CD2-CD2 4.26Å; L171-L199 PolarHBondContact O-N 2.93Å; V172-L199 CarbonylContact C-O 3.36Å; V172-L199 WeakPolarHBondContact CA-O 3.5Å; V172-L199 HydrophobicContact CG2-CB 4.33Å; V172-L199 HydrophobicContact CG2-CD2 4.14Å; V172-L199 HydrophobicContact CG2-CG 4.48Å; V173-L199 PolarHBondContact N-O 3.33Å; F197-L199 HydrophobicContact CE1-CB 4.14Å; L199-L201 HydrophobicContact CD1-CD2 3.72Å; L199-L201 HydrophobicContact CD2-CD2 4.08Å; L199-L201 HydrophobicContact CG-CD2 3.77Å
200	L	91.3	Very high	77.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.1	174.6	-60.5	-170.3	0	0	0	110.5	C67 I68 L69 V173 A176 L179 L216 F219 V220	C67-L200 PolarHBondContact O-N 2.87Å; I68-L200 CarbonylContact C-O 3.58Å; I68-L200 WeakPolarHBondContact CA-O 3.33Å; I68-L200 HydrophobicContact CG1-CB 4.24Å; I68-L200 HydrophobicContact CG1-CD1 4.32Å; I68-L200 HydrophobicContact CG2-CB 4.31Å; L69-L200 PolarHBondContact N-O 2.93Å; V173-L200 HydrophobicContact CB-CD2 3.66Å; V173-L200 HydrophobicContact CG2-CD2 3.77Å; A176-L200 HydrophobicContact CB-CB 3.78Å; A176-L200 HydrophobicContact CB-CD1 4.28Å; A176-L200 HydrophobicContact CB-CD2 4.08Å; A176-L200 HydrophobicContact CB-CG 4.28Å; L179-L200 HydrophobicContact CD1-CD2 4Å; L200-L216 HydrophobicContact CD1-CB 4.13Å; L200-L216 HydrophobicContact CD1-CD2 3.99Å; L200-F219 HydrophobicContact CD1-CD1 4.21Å; L200-F219 HydrophobicContact CD2-CD1 3.85Å; L200-F219 HydrophobicContact CD2-CE1 3.86Å; L200-F219 HydrophobicContact CG-CD1 4.39Å; L200-V220 HydrophobicContact CD1-CG2 3.43Å; L200-V220 VanDerWaalsContact CD1-CG2 3.43Å; L200-V220 HydrophobicContact CG-CG2 3.74Å
201	L	89.8	Confident	77.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.9	173.3	-43.7	177	0	0	0	109.5	L69 K77 W110 V172 V173 D174 E175 A176 L199	L69-L201 HydrophobicContact CB-CD2 3.86Å; L69-L201 HydrophobicContact CD2-CD2 4.09Å; K77-L201 HydrophobicContact CD-CB 4.27Å; W110-L201 HydrophobicContact CH2-CD1 3.88Å; W110-L201 HydrophobicContact CZ2-CD1 3.68Å; V172-L201 HydrophobicContact CG1-CD1 3.8Å; V172-L201 HydrophobicContact CG1-CG 4.03Å; V173-L201 PolarHBondContact O-N 3.03Å; D174-L201 HydrophobicContact CB-CD1 4.38Å; E175-L201 WeakPolarHBondContact CA-O 3.16Å; E175-L201 PolarHBondContact N-O 3.26Å; E175-L201 VanDerWaalsContact N-O 3.14Å; A176-L201 PolarHBondContact N-O 3.23Å; L199-L201 HydrophobicContact CD1-CD2 3.72Å; L199-L201 HydrophobicContact CD2-CD2 4.08Å; L199-L201 HydrophobicContact CG-CD2 3.77Å
202	T	84.4	Confident	76.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.187	C	C	.	.			trans	-151	140.8	178.1	174.7	0	0	0	0	111.1	I68 L69 G70 K77 T204 P205	I68-T202 HydrophobicContact CG2-CG2 3.8Å; L69-T202 PolarHBondContact O-N 3.46Å; G70-T202 CarbonylContact C-O 3.54Å; G70-T202 WeakPolarHBondContact CA-O 3.4Å; K77-T202 WeakPolarHBondContact CE-O 3.47Å; K77-T202 VanDerWaalsContact NZ-C 3.29Å; K77-T202 PolarHBondContact NZ-O 3.23Å; T202-T204 VanDerWaalsContact C-N 3.3Å; T202-T204 PolarHBondContact OG1-N 3.46Å; T202-T204 VanDerWaalsContact OG1-N 3.13Å; T202-T204 PolarHBondContact OG1-O 3.34Å; T202-P205 HydrophobicContact CG2-CB 3.63Å; T202-P205 HydrophobicContact CG2-CG 4.41Å
203	G	72.9	Confident	76.6	Confident	4 Å²	4	28.3 Å²	28.3	4%	0.041	16%	0.161	C	C	.	.	S	Bend	trans	-79.8	-16	170.9	0	0	0	0	0	113.7
204	T	67.5	Low	76.4	Confident	27 Å²	27	27.5 Å²	27.5	17%	0.166	16%	0.158	C	C	.	.			trans	-150.3	75.9	-169.5	50.6	0	0	0	0	107.7	T202 I206 Q207	T202-T204 VanDerWaalsContact C-N 3.3Å; T202-T204 PolarHBondContact OG1-N 3.46Å; T202-T204 VanDerWaalsContact OG1-N 3.13Å; T202-T204 PolarHBondContact OG1-O 3.34Å; T204-I206 PolarHBondContact O-N 3.21Å; T204-Q207 WeakPolarHBondContact O-CG 3.32Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.39Å; T204-Q207 PolarHBondContact OG1-NE2 3.13Å
205	P	56.2	Low	76.3	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.019	13%	0.132	C	C	.	.	S	Bend	trans	-62.4	-23	-173.8	21.3	-33.8	0	0	0	114.7	T202 L258	T202-P205 HydrophobicContact CG2-CB 3.63Å; T202-P205 HydrophobicContact CG2-CG 4.41Å; P205-L258 HydrophobicContact CB-CD1 3.87Å; P205-L258 HydrophobicContact CG-CD1 4.09Å
206	I	59.8	Low	76.2	Confident	24 Å²	24	21.7 Å²	21.7	12%	0.123	12%	0.119	C	C	.	.			trans	-130.5	88.5	-175.4	-55.8	175	0	0	0	106.3	T204 L213 F499 L501	T204-I206 PolarHBondContact O-N 3.21Å; I206-L213 HydrophobicContact CG1-CD1 4.33Å; I206-F499 HydrophobicContact CD1-CD1 3.99Å; I206-F499 HydrophobicContact CD1-CE1 3.53Å; I206-L501 HydrophobicContact CG2-CD2 3.57Å; I206-L501 HydrophobicContact CG2-CG 4.06Å
207	Q	53.8	Low	76.1	Confident	30 Å²	30	17.8 Å²	17.8	14%	0.14	10%	0.096	C	C	.	.	S	Bend	trans	-82.2	-54.3	-177.4	-74	-162.6	-24.7	0	0	112.5	T204 Q446	T204-Q207 WeakPolarHBondContact O-CG 3.32Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.39Å; T204-Q207 PolarHBondContact OG1-NE2 3.13Å; Q207-Q446 VanDerWaalsContact CG-OE1 3.23Å
208	N	53.8	Low	76	Confident	109 Å²	109	17.8 Å²	17.8	58%	0.583	10%	0.096	S	C	*	.	S	Bend	trans	-155.2	2.2	-176.9	-77.8	-73.3	0	0	0	118
209	S	63.9	Low	75.8	Confident	29 Å²	29	18.1 Å²	18.1	20%	0.203	10%	0.096	C	C	.	.			trans	-154.5	150.4	179.8	73.4	0	0	0	0	116.4	Q211 E212 L213	S209-Q211 PolarHBondContact O-N 3.31Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 VanDerWaalsContact OG-CB 3.31Å; S209-E212 WeakPolarHBondContact OG-CB 3.03Å; S209-E212 PolarHBondContact OG-N 3.13Å; S209-L213 PolarHBondContact O-N 3.19Å
210	L	70.3	Confident	75.4	Confident	14 Å²	14	18.4 Å²	18.4	7%	0.073	10%	0.097	C	C	.	.	H	α-helix	trans	-58.8	-36.8	169.5	-73.4	159.5	0	0	0	112.1	L213 Y214 F233 I234 Y237 I240 L501	L210-L213 PolarHBondContact O-N 3.43Å; L210-Y214 WeakPolarHBondContact O-CB 3.27Å; L210-Y214 PolarHBondContact O-N 3.38Å; L210-F233 HydrophobicContact CD2-CE1 4.04Å; L210-I234 HydrophobicContact CB-CG1 4.21Å; L210-Y237 VanDerWaalsContact CD1-O 3.26Å; L210-Y237 WeakPolarHBondContact CD1-O 3.27Å; L210-I240 HydrophobicContact CD2-CD1 4.26Å; L210-L501 HydrophobicContact CD2-CB 4.01Å; L210-L501 HydrophobicContact CD2-CD1 3.78Å; L210-L501 HydrophobicContact CD2-CD2 4.07Å; L210-L501 HydrophobicContact CD2-CG 4.18Å; L210-L501 HydrophobicContact CG-CB 3.84Å; L210-L501 HydrophobicContact CG-CD2 4.13Å; L210-L501 HydrophobicContact CG-CG 4.39Å
211	Q	76.1	Confident	75	Confident	101 Å²	101	19.6 Å²	19.6	47%	0.472	10%	0.103	S	C	.	.	H	α-helix	trans	-67	-36.4	178.6	-166.1	176.7	18.1	0	0	112.2	S209 S215 V230 I234	S209-Q211 PolarHBondContact O-N 3.31Å; Q211-S215 VanDerWaalsContact O-CB 3.29Å; Q211-S215 WeakPolarHBondContact O-CB 3.39Å; Q211-S215 PolarHBondContact O-N 3.13Å; Q211-V230 HydrophobicContact CG-CG1 4.37Å; Q211-I234 HydrophobicContact CB-CD1 4.02Å; Q211-I234 HydrophobicContact CG-CD1 4.28Å
212	E	77.9	Confident	74.5	Confident	10 Å²	10	23 Å²	23	5%	0.047	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-48.1	172.5	171.2	174.6	178	0	0	110.7	K180 S209 Y214 S215 L216	K180-E212 HydrophobicContact CB-CB 4.26Å; K180-E212 HydrophobicContact CB-CG 3.83Å; K180-E212 HydrophobicContact CG-CG 3.92Å; K180-E212 IonicContact NZ-OE1 3.9Å; K180-E212 PolarHBondContact NZ-OE1 3.03Å; K180-E212 IonicContact NZ-OE2 2.64Å; K180-E212 PolarHBondContact NZ-OE2 2.79Å; S209-E212 PolarHBondContact O-N 2.83Å; S209-E212 VanDerWaalsContact OG-CB 3.31Å; S209-E212 WeakPolarHBondContact OG-CB 3.03Å; S209-E212 PolarHBondContact OG-N 3.13Å; E212-Y214 VanDerWaalsContact C-N 3.35Å; E212-Y214 PolarHBondContact O-N 3.02Å; E212-S215 WeakPolarHBondContact O-CB 3.21Å; E212-S215 PolarHBondContact O-N 2.82Å; E212-S215 VanDerWaalsContact O-N 3.16Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.36Å
213	L	78.6	Confident	74.1	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-47.1	177.2	177.6	61.5	0	0	0	111.6	I206 S209 L210 S215 L216 L217 L250 L254 L501	I206-L213 HydrophobicContact CG1-CD1 4.33Å; S209-L213 PolarHBondContact O-N 3.19Å; L210-L213 PolarHBondContact O-N 3.43Å; L213-S215 VanDerWaalsContact C-N 3.33Å; L213-S215 PolarHBondContact O-N 3.29Å; L213-L216 PolarHBondContact O-N 2.78Å; L213-L217 HydrophobicContact CD1-CD1 4.5Å; L213-L217 HydrophobicContact CG-CD1 4.29Å; L213-L217 WeakPolarHBondContact O-CG 3.11Å; L213-L217 PolarHBondContact O-N 2.88Å; L213-L250 HydrophobicContact CD2-CD1 4.42Å; L213-L250 HydrophobicContact CD2-CD2 4.41Å; L213-L254 HydrophobicContact CD1-CD2 3.96Å; L213-L254 HydrophobicContact CD2-CD1 4.09Å; L213-L254 HydrophobicContact CD2-CD2 4.3Å; L213-L254 HydrophobicContact CG-CD2 4.44Å; L213-L501 HydrophobicContact CD2-CD1 4.45Å; L213-L501 HydrophobicContact CD2-CD2 4.4Å
214	Y	82.2	Confident	74.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-35.3	176.9	-164.1	-86.1	0	0	0	112.5	L210 E212 L216 L217 S218 F225 S226 E229 V230 F233	L210-Y214 WeakPolarHBondContact O-CB 3.27Å; L210-Y214 PolarHBondContact O-N 3.38Å; E212-Y214 VanDerWaalsContact C-N 3.35Å; E212-Y214 PolarHBondContact O-N 3.02Å; Y214-L216 VanDerWaalsContact C-N 3.3Å; Y214-L216 PolarHBondContact O-N 3.08Å; Y214-L217 PolarHBondContact O-N 3.42Å; Y214-S218 WeakPolarHBondContact O-CB 3.42Å; Y214-S218 PolarHBondContact O-N 2.59Å; Y214-F225 HydrophobicContact CE2-CB 4.37Å; Y214-F225 AromaticContact CE2-CD1 3.91Å; Y214-F225 HydrophobicContact CE2-CD1 3.91Å; Y214-S226 PolarHBondContact OH-O 2.84Å; Y214-E229 WeakPolarHBondContact OH-CB 3.37Å; Y214-V230 HydrophobicContact CD1-CB 4.21Å; Y214-V230 HydrophobicContact CD1-CG1 4.35Å; Y214-V230 HydrophobicContact CD1-CG2 3.59Å; Y214-V230 HydrophobicContact CE1-CB 4.25Å; Y214-V230 HydrophobicContact CE1-CG2 3.5Å; Y214-F233 HydrophobicContact CD2-CB 3.64Å; Y214-F233 AromaticContact CD2-CD1 3.53Å; Y214-F233 HydrophobicContact CD2-CD1 3.53Å; Y214-F233 AromaticContact CD2-CD2 3.64Å; Y214-F233 HydrophobicContact CD2-CD2 3.64Å; Y214-F233 HydrophobicContact CD2-CE1 4.04Å; Y214-F233 HydrophobicContact CD2-CE2 4.14Å; Y214-F233 AromaticContact CD2-CG 3.31Å; Y214-F233 HydrophobicContact CD2-CG 3.31Å; Y214-F233 HydrophobicContact CD2-CZ 4.32Å; Y214-F233 HydrophobicContact CE2-CB 3.64Å; Y214-F233 HydrophobicContact CE2-CD1 4.37Å; Y214-F233 AromaticContact CE2-CD2 3.82Å; Y214-F233 HydrophobicContact CE2-CD2 3.82Å; Y214-F233 AromaticContact CE2-CG 3.7Å; Y214-F233 HydrophobicContact CE2-CG 3.7Å; Y214-F233 HydrophobicContact CG-CD1 4.21Å; Y214-F233 HydrophobicContact CG-CG 4.34Å
215	S	83.5	Confident	74.8	Confident	1 Å²	1	28 Å²	28	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-38.7	172.9	-169.5	0	0	0	0	111.9	L179 K180 N181 Q182 H187 Q211 E212 L213 F219	L179-S215 PolarHBondContact O-OG 2.99Å; L179-S215 VanDerWaalsContact O-OG 3.06Å; K180-S215 WeakPolarHBondContact O-CB 3.25Å; N181-S215 PolarHBondContact N-OG 3.01Å; Q182-S215 VanDerWaalsContact CG-OG 3.27Å; Q182-S215 WeakPolarHBondContact CG-OG 3.38Å; Q182-S215 PolarHBondContact N-OG 3.03Å; H187-S215 PolarHBondContact NE2-O 2.93Å; Q211-S215 VanDerWaalsContact O-CB 3.29Å; Q211-S215 WeakPolarHBondContact O-CB 3.39Å; Q211-S215 PolarHBondContact O-N 3.13Å; E212-S215 WeakPolarHBondContact O-CB 3.21Å; E212-S215 PolarHBondContact O-N 2.82Å; E212-S215 VanDerWaalsContact O-N 3.16Å; L213-S215 VanDerWaalsContact C-N 3.33Å; L213-S215 PolarHBondContact O-N 3.29Å; S215-F219 WeakPolarHBondContact O-CB 3.29Å; S215-F219 PolarHBondContact O-N 2.84Å
216	L	83.8	Confident	75.7	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-72	-44.1	176.1	-59.9	177.6	0	0	0	111.3	I68 L179 L200 E212 L213 Y214 F219 V220	I68-L216 HydrophobicContact CD1-CB 4.09Å; L179-L216 HydrophobicContact CB-CD2 3.96Å; L200-L216 HydrophobicContact CD1-CB 4.13Å; L200-L216 HydrophobicContact CD1-CD2 3.99Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.36Å; L213-L216 PolarHBondContact O-N 2.78Å; Y214-L216 VanDerWaalsContact C-N 3.3Å; Y214-L216 PolarHBondContact O-N 3.08Å; L216-F219 WeakPolarHBondContact O-CB 3.45Å; L216-F219 PolarHBondContact O-N 3.22Å; L216-V220 WeakPolarHBondContact O-CB 3.44Å; L216-V220 WeakPolarHBondContact O-CG2 3.16Å; L216-V220 PolarHBondContact O-N 2.9Å
217	L	83.6	Confident	76.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.5	-68.2	173.2	0	0	0	112.7	I68 L213 Y214 F219 V220 E221 F225 L253 L254 F257	I68-L217 HydrophobicContact CD1-CD2 4.47Å; L213-L217 HydrophobicContact CD1-CD1 4.5Å; L213-L217 HydrophobicContact CG-CD1 4.29Å; L213-L217 WeakPolarHBondContact O-CG 3.11Å; L213-L217 PolarHBondContact O-N 2.88Å; Y214-L217 PolarHBondContact O-N 3.42Å; L217-F219 PolarHBondContact O-N 2.78Å; L217-V220 PolarHBondContact O-N 2.95Å; L217-V220 VanDerWaalsContact O-N 3.15Å; L217-E221 PolarHBondContact O-N 2.93Å; L217-F225 HydrophobicContact CB-CD1 4.44Å; L217-F225 HydrophobicContact CB-CD2 3.86Å; L217-F225 HydrophobicContact CB-CE2 4.15Å; L217-F225 HydrophobicContact CB-CG 4.01Å; L217-F225 HydrophobicContact CD1-CE1 4.29Å; L217-F225 HydrophobicContact CD1-CZ 4.27Å; L217-F225 HydrophobicContact CD2-CE2 4.41Å; L217-L253 HydrophobicContact CD1-CD2 4.3Å; L217-L254 HydrophobicContact CD1-CD2 3.87Å; L217-L254 HydrophobicContact CD2-CD2 4.01Å; L217-L254 HydrophobicContact CG-CD2 4.39Å; L217-F257 HydrophobicContact CD2-CB 4.2Å; L217-F257 HydrophobicContact CD2-CD2 4.41Å; L217-F257 HydrophobicContact CD2-CG 4.42Å
218	S	84.9	Confident	76.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-22.8	176.8	-171.3	0	0	0	0	113.5	Y214 F225	Y214-S218 WeakPolarHBondContact O-CB 3.42Å; Y214-S218 PolarHBondContact O-N 2.59Å; S218-F225 VanDerWaalsContact CB-O 3.29Å; S218-F225 WeakPolarHBondContact CB-O 3.39Å; S218-F225 PolarHBondContact OG-O 2.97Å
219	F	85.3	Confident	77.8	Confident	19 Å²	19	37.3 Å²	37.3	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-78.5	-40	169.3	-177	-94.1	0	0	0	112.3	L171 V173 L179 H187 L190 L200 S215 L216 L217	L171-F219 HydrophobicContact CD2-CE1 4.29Å; L171-F219 HydrophobicContact CD2-CZ 3.81Å; V173-F219 HydrophobicContact CG2-CE1 4.38Å; L179-F219 HydrophobicContact CD1-CD1 4.14Å; L179-F219 HydrophobicContact CD1-CE1 4.13Å; L179-F219 HydrophobicContact CD1-CG 4.37Å; L179-F219 HydrophobicContact CD1-CZ 4.37Å; H187-F219 AromaticContact CE1-CD2 3.85Å; H187-F219 AromaticContact ND1-CD2 3.96Å; L190-F219 HydrophobicContact CB-CE2 3.54Å; L190-F219 HydrophobicContact CB-CZ 3.82Å; L190-F219 HydrophobicContact CD1-CE2 4.4Å; L190-F219 HydrophobicContact CD1-CZ 4.19Å; L200-F219 HydrophobicContact CD1-CD1 4.21Å; L200-F219 HydrophobicContact CD2-CD1 3.85Å; L200-F219 HydrophobicContact CD2-CE1 3.86Å; L200-F219 HydrophobicContact CG-CD1 4.39Å; S215-F219 WeakPolarHBondContact O-CB 3.29Å; S215-F219 PolarHBondContact O-N 2.84Å; L216-F219 WeakPolarHBondContact O-CB 3.45Å; L216-F219 PolarHBondContact O-N 3.22Å; L217-F219 PolarHBondContact O-N 2.78Å
220	V	84.6	Confident	78.3	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-44.1	-176.7	168.4	0	0	0	0	111.5	G66 I68 S198 L200 L216 L217	G66-V220 VanDerWaalsContact CA-CG1 3.46Å; G66-V220 WeakPolarHBondContact O-CG1 3.37Å; I68-V220 HydrophobicContact CD1-CG2 4.22Å; I68-V220 HydrophobicContact CG1-CG2 3.86Å; S198-V220 WeakPolarHBondContact OG-CA 3.38Å; S198-V220 PolarHBondContact OG-O 3Å; L200-V220 HydrophobicContact CD1-CG2 3.43Å; L200-V220 VanDerWaalsContact CD1-CG2 3.43Å; L200-V220 HydrophobicContact CG-CG2 3.74Å; L216-V220 WeakPolarHBondContact O-CB 3.44Å; L216-V220 WeakPolarHBondContact O-CG2 3.16Å; L216-V220 PolarHBondContact O-N 2.9Å; L217-V220 PolarHBondContact O-N 2.95Å; L217-V220 VanDerWaalsContact O-N 3.15Å
221	E	82.9	Confident	78.2	Confident	25 Å²	25	38.2 Å²	38.2	12%	0.117	20%	0.204	C	C	.	.			trans	-142.7	76.9	-170.1	-162.7	66.2	-108.1	0	0	110.6	N65 G66 L217 D223 L224 F225 F257	N65-E221 WeakPolarHBondContact CA-OE2 3.5Å; G66-E221 PolarHBondContact N-OE2 2.96Å; L217-E221 PolarHBondContact O-N 2.93Å; E221-D223 VanDerWaalsContact C-N 3.26Å; E221-D223 PolarHBondContact O-N 2.88Å; E221-L224 HydrophobicContact CB-CB 4.48Å; E221-L224 HydrophobicContact CG-CB 3.79Å; E221-L224 HydrophobicContact CG-CD1 3.61Å; E221-L224 HydrophobicContact CG-CG 4.16Å; E221-L224 PolarHBondContact O-N 2.86Å; E221-F225 HydrophobicContact CB-CD2 4.23Å; E221-F225 PolarHBondContact O-N 2.89Å; E221-F257 HydrophobicContact CB-CE1 4.3Å; E221-F257 HydrophobicContact CG-CE1 4.16Å
222	P	78.3	Confident	78.2	Confident	73 Å²	73	38 Å²	38	47%	0.474	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.2	-172.7	27.3	-35.2	0	0	0	113.2	L224	P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 2.67Å
223	D	76.9	Confident	78.1	Confident	128 Å²	128	37.5 Å²	37.5	68%	0.684	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.3	-179.2	-71.7	-9.4	0	0	0	112.9	R19 E221	R19-D223 PolarHBondContact NH1-O 2.91Å; E221-D223 VanDerWaalsContact C-N 3.26Å; E221-D223 PolarHBondContact O-N 2.88Å
224	L	76	Confident	77.8	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.047	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-37.1	171.3	-86.9	156.1	0	0	0	112.4	F16 R19 L20 E221 P222 F257	F16-L224 VanDerWaalsContact CB-O 3.24Å; F16-L224 WeakPolarHBondContact CB-O 3.35Å; R19-L224 HydrophobicContact CB-CD2 3.47Å; R19-L224 VanDerWaalsContact CB-CD2 3.47Å; L20-L224 HydrophobicContact CG-CD2 4.02Å; E221-L224 HydrophobicContact CB-CB 4.48Å; E221-L224 HydrophobicContact CG-CB 3.79Å; E221-L224 HydrophobicContact CG-CD1 3.61Å; E221-L224 HydrophobicContact CG-CG 4.16Å; E221-L224 PolarHBondContact O-N 2.86Å; P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 2.67Å; L224-F257 HydrophobicContact CD1-CZ 4.08Å
225	F	78.1	Confident	77.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-117.4	81.2	-173.7	-60.2	-76.7	0	0	0	112.1	F16 Y214 L217 S218 E221 L253 F257	F16-F225 HydrophobicContact CB-CD1 4.44Å; F16-F225 HydrophobicContact CB-CE1 4.3Å; F16-F225 HydrophobicContact CD2-CE1 4.25Å; F16-F225 HydrophobicContact CG-CE1 4.31Å; Y214-F225 HydrophobicContact CE2-CB 4.37Å; Y214-F225 AromaticContact CE2-CD1 3.91Å; Y214-F225 HydrophobicContact CE2-CD1 3.91Å; L217-F225 HydrophobicContact CB-CD1 4.44Å; L217-F225 HydrophobicContact CB-CD2 3.86Å; L217-F225 HydrophobicContact CB-CE2 4.15Å; L217-F225 HydrophobicContact CB-CG 4.01Å; L217-F225 HydrophobicContact CD1-CE1 4.29Å; L217-F225 HydrophobicContact CD1-CZ 4.27Å; L217-F225 HydrophobicContact CD2-CE2 4.41Å; S218-F225 VanDerWaalsContact CB-O 3.29Å; S218-F225 WeakPolarHBondContact CB-O 3.39Å; S218-F225 PolarHBondContact OG-O 2.97Å; E221-F225 HydrophobicContact CB-CD2 4.23Å; E221-F225 PolarHBondContact O-N 2.89Å; F225-L253 HydrophobicContact CE1-CD1 4.45Å; F225-L253 HydrophobicContact CE1-CD2 4.13Å; F225-L253 HydrophobicContact CZ-CD2 3.86Å; F225-L253 HydrophobicContact CZ-CG 4.41Å; F225-F257 HydrophobicContact CE2-CD2 4.48Å; F225-F257 HydrophobicContact CE2-CE2 4.02Å; F225-F257 HydrophobicContact CE2-CZ 4.25Å; F225-F257 HydrophobicContact CZ-CE2 4.25Å
226	S	76.4	Confident	76.9	Confident	32 Å²	32	51.8 Å²	51.8	22%	0.224	27%	0.267	C	S	.	.			trans	-56.7	138.6	178.8	-43.5	0	0	0	0	112.7	Y214 E228 E229	Y214-S226 PolarHBondContact OH-O 2.84Å; S226-E228 PolarHBondContact O-N 3.12Å; S226-E229 WeakPolarHBondContact CB-OE1 3.46Å; S226-E229 PolarHBondContact O-N 3.11Å; S226-E229 VanDerWaalsContact O-N 3.13Å; S226-E229 PolarHBondContact OG-OE1 3.34Å
227	K	69.4	Low	76.2	Confident	116 Å²	116	51.7 Å²	51.7	50%	0.504	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.3	178.1	-68.2	173.8	-178	167.9	0	114.8	V230	K227-V230 VanDerWaalsContact O-CG2 3.29Å; K227-V230 WeakPolarHBondContact O-CG2 3.49Å
228	E	69.3	Low	75.3	Confident	183 Å²	183	56.4 Å²	56.4	86%	0.855	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-26.9	-179	-63.8	173.3	-169.8	0	0	112.5	S226 V230	S226-E228 PolarHBondContact O-N 3.12Å; E228-V230 PolarHBondContact O-N 3.07Å
229	E	72.7	Confident	74.1	Confident	30 Å²	30	60.1 Å²	60.1	14%	0.14	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7.4	-175.3	-66.3	173.2	-141	0	0	113.1	R19 Y214 S226 G231 D232 F233	R19-E229 IonicContact NH2-OE1 2.76Å; Y214-E229 WeakPolarHBondContact OH-CB 3.37Å; S226-E229 WeakPolarHBondContact CB-OE1 3.46Å; S226-E229 PolarHBondContact O-N 3.11Å; S226-E229 VanDerWaalsContact O-N 3.13Å; S226-E229 PolarHBondContact OG-OE1 3.34Å; E229-G231 VanDerWaalsContact C-N 3.28Å; E229-G231 PolarHBondContact O-N 3.03Å; E229-D232 PolarHBondContact O-N 2.72Å; E229-F233 PolarHBondContact O-N 3.48Å
230	V	74.4	Confident	72.8	Confident	17 Å²	17	59.3 Å²	59.3	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-41	178.2	-176.7	0	0	0	0	111.4	Q211 Y214 K227 E228 I234	Q211-V230 HydrophobicContact CG-CG1 4.37Å; Y214-V230 HydrophobicContact CD1-CB 4.21Å; Y214-V230 HydrophobicContact CD1-CG1 4.35Å; Y214-V230 HydrophobicContact CD1-CG2 3.59Å; Y214-V230 HydrophobicContact CE1-CB 4.25Å; Y214-V230 HydrophobicContact CE1-CG2 3.5Å; K227-V230 VanDerWaalsContact O-CG2 3.29Å; K227-V230 WeakPolarHBondContact O-CG2 3.49Å; E228-V230 PolarHBondContact O-N 3.07Å; V230-I234 HydrophobicContact CG1-CD1 3.81Å; V230-I234 WeakPolarHBondContact O-CB 3.31Å; V230-I234 VanDerWaalsContact O-CG1 3.27Å; V230-I234 WeakPolarHBondContact O-CG1 3.45Å; V230-I234 PolarHBondContact O-N 2.83Å
231	G	68.3	Low	71.3	Confident	44 Å²	44	64.6 Å²	64.6	45%	0.454	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-48.6	-179.5	0	0	0	0	0	112.1	E229 F233 I234 Q235	E229-G231 VanDerWaalsContact C-N 3.28Å; E229-G231 PolarHBondContact O-N 3.03Å; G231-F233 VanDerWaalsContact C-N 3.35Å; G231-F233 PolarHBondContact O-N 2.89Å; G231-I234 PolarHBondContact O-N 2.82Å; G231-Q235 WeakPolarHBondContact O-CB 3.46Å; G231-Q235 PolarHBondContact O-N 3.42Å
232	D	74.4	Confident	70	Confident	96 Å²	96	71.3 Å²	71.3	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-40.1	179.9	-62.7	-14	0	0	0	111.6	E229 Q235 R236	E229-D232 PolarHBondContact O-N 2.72Å; D232-Q235 PolarHBondContact O-N 3Å; D232-R236 WeakPolarHBondContact O-CB 3.39Å; D232-R236 PolarHBondContact O-N 2.96Å
233	F	75.4	Confident	69.1	Low	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-48.6	174.6	-175.3	-88.6	0	0	0	111.6	F16 L210 Y214 E229 G231 Q235 R236 Y237 L250	F16-F233 HydrophobicContact CE1-CD2 4.49Å; F16-F233 HydrophobicContact CZ-CD2 4.2Å; L210-F233 HydrophobicContact CD2-CE1 4.04Å; Y214-F233 HydrophobicContact CD2-CB 3.64Å; Y214-F233 AromaticContact CD2-CD1 3.53Å; Y214-F233 HydrophobicContact CD2-CD1 3.53Å; Y214-F233 AromaticContact CD2-CD2 3.64Å; Y214-F233 HydrophobicContact CD2-CD2 3.64Å; Y214-F233 HydrophobicContact CD2-CE1 4.04Å; Y214-F233 HydrophobicContact CD2-CE2 4.14Å; Y214-F233 AromaticContact CD2-CG 3.31Å; Y214-F233 HydrophobicContact CD2-CG 3.31Å; Y214-F233 HydrophobicContact CD2-CZ 4.32Å; Y214-F233 HydrophobicContact CE2-CB 3.64Å; Y214-F233 HydrophobicContact CE2-CD1 4.37Å; Y214-F233 AromaticContact CE2-CD2 3.82Å; Y214-F233 HydrophobicContact CE2-CD2 3.82Å; Y214-F233 AromaticContact CE2-CG 3.7Å; Y214-F233 HydrophobicContact CE2-CG 3.7Å; Y214-F233 HydrophobicContact CG-CD1 4.21Å; Y214-F233 HydrophobicContact CG-CG 4.34Å; E229-F233 PolarHBondContact O-N 3.48Å; G231-F233 VanDerWaalsContact C-N 3.35Å; G231-F233 PolarHBondContact O-N 2.89Å; F233-Q235 VanDerWaalsContact C-N 3.34Å; F233-Q235 PolarHBondContact O-N 3.07Å; F233-R236 PolarHBondContact O-N 3.2Å; F233-Y237 HydrophobicContact CD1-CD2 4.09Å; F233-Y237 AromaticContact CD2-CD2 3.66Å; F233-Y237 HydrophobicContact CD2-CD2 3.66Å; F233-Y237 AromaticContact CD2-CE2 3.63Å; F233-Y237 HydrophobicContact CD2-CE2 3.63Å; F233-Y237 HydrophobicContact CE1-CD2 4Å; F233-Y237 AromaticContact CE2-CD2 3.57Å; F233-Y237 HydrophobicContact CE2-CD2 3.57Å; F233-Y237 AromaticContact CE2-CE2 3.48Å; F233-Y237 HydrophobicContact CE2-CE2 3.48Å; F233-Y237 VanDerWaalsContact CE2-CE2 3.48Å; F233-Y237 AromaticContact CG-CD2 3.92Å; F233-Y237 HydrophobicContact CG-CD2 3.92Å; F233-Y237 HydrophobicContact CG-CE2 4.33Å; F233-Y237 AromaticContact CZ-CD2 3.75Å; F233-Y237 HydrophobicContact CZ-CD2 3.75Å; F233-Y237 HydrophobicContact CZ-CE2 4.08Å; F233-Y237 WeakPolarHBondContact O-CB 3.43Å; F233-Y237 VanDerWaalsContact O-CD2 3.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.03Å; F233-Y237 PolarHBondContact O-N 3.01Å; F233-Y237 VanDerWaalsContact O-N 3.08Å; F233-L250 HydrophobicContact CE2-CD1 4.28Å; F233-L250 HydrophobicContact CZ-CD1 3.83Å
234	I	74.2	Confident	68.4	Low	47 Å²	47	70.3 Å²	70.3	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-45.3	177.4	-69.6	169.9	0	0	0	110.2	L210 Q211 V230 G231 Y237 Q238	L210-I234 HydrophobicContact CB-CG1 4.21Å; Q211-I234 HydrophobicContact CB-CD1 4.02Å; Q211-I234 HydrophobicContact CG-CD1 4.28Å; V230-I234 HydrophobicContact CG1-CD1 3.81Å; V230-I234 WeakPolarHBondContact O-CB 3.31Å; V230-I234 VanDerWaalsContact O-CG1 3.27Å; V230-I234 WeakPolarHBondContact O-CG1 3.45Å; V230-I234 PolarHBondContact O-N 2.83Å; G231-I234 PolarHBondContact O-N 2.82Å; I234-Y237 CarbonylContact O-C 3.6Å; I234-Y237 PolarHBondContact O-N 2.81Å; I234-Q238 WeakPolarHBondContact O-CA 3.34Å; I234-Q238 VanDerWaalsContact O-CB 3.3Å; I234-Q238 WeakPolarHBondContact O-CB 3.41Å; I234-Q238 PolarHBondContact O-N 3.18Å
235	Q	73.8	Confident	67.9	Low	145 Å²	145	77.6 Å²	77.6	68%	0.678	38%	0.384	S	S	*	.	H	α-helix	trans	-64.5	-41.2	-178.4	-172	177.3	6.1	0	0	112.6	G231 D232 F233 Y237	G231-Q235 WeakPolarHBondContact O-CB 3.46Å; G231-Q235 PolarHBondContact O-N 3.42Å; D232-Q235 PolarHBondContact O-N 3Å; F233-Q235 VanDerWaalsContact C-N 3.34Å; F233-Q235 PolarHBondContact O-N 3.07Å; Q235-Y237 VanDerWaalsContact C-N 3.34Å
236	R	72.4	Confident	67.3	Low	112 Å²	112	78.4 Å²	78.4	42%	0.423	39%	0.39	S	S	.	.	H	α-helix	trans	-67	-34.9	176.9	-173.5	179.3	-178.6	99.3	-5.1	112.4	D232 F233 E249	D232-R236 WeakPolarHBondContact O-CB 3.39Å; D232-R236 PolarHBondContact O-N 2.96Å; F233-R236 PolarHBondContact O-N 3.2Å; R236-E249 IonicContact CZ-OE1 3.04Å; R236-E249 IonicContact CZ-OE2 3.76Å; R236-E249 IonicContact NE-OE1 2.68Å; R236-E249 IonicContact NE-OE2 3.92Å; R236-E249 PolarHBondContact NE-OE2 3.17Å; R236-E249 VanDerWaalsContact NH2-CD 3.34Å; R236-E249 IonicContact NH2-OE1 2.73Å; R236-E249 PolarHBondContact NH2-OE1 2.95Å; R236-E249 IonicContact NH2-OE2 2.78Å; R236-E249 PolarHBondContact NH2-OE2 3.34Å
237	Y	68.9	Low	66.7	Low	1 Å²	1	77 Å²	77	0%	0.004	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	14.5	-174.3	-66.1	-59.2	0	0	0	113.8	F16 L210 F233 I234 Q235 I240 E249 L250	F16-Y237 HydrophobicContact CZ-CE2 4.5Å; L210-Y237 VanDerWaalsContact CD1-O 3.26Å; L210-Y237 WeakPolarHBondContact CD1-O 3.27Å; F233-Y237 HydrophobicContact CD1-CD2 4.09Å; F233-Y237 AromaticContact CD2-CD2 3.66Å; F233-Y237 HydrophobicContact CD2-CD2 3.66Å; F233-Y237 AromaticContact CD2-CE2 3.63Å; F233-Y237 HydrophobicContact CD2-CE2 3.63Å; F233-Y237 HydrophobicContact CE1-CD2 4Å; F233-Y237 AromaticContact CE2-CD2 3.57Å; F233-Y237 HydrophobicContact CE2-CD2 3.57Å; F233-Y237 AromaticContact CE2-CE2 3.48Å; F233-Y237 HydrophobicContact CE2-CE2 3.48Å; F233-Y237 VanDerWaalsContact CE2-CE2 3.48Å; F233-Y237 AromaticContact CG-CD2 3.92Å; F233-Y237 HydrophobicContact CG-CD2 3.92Å; F233-Y237 HydrophobicContact CG-CE2 4.33Å; F233-Y237 AromaticContact CZ-CD2 3.75Å; F233-Y237 HydrophobicContact CZ-CD2 3.75Å; F233-Y237 HydrophobicContact CZ-CE2 4.08Å; F233-Y237 WeakPolarHBondContact O-CB 3.43Å; F233-Y237 VanDerWaalsContact O-CD2 3.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.03Å; F233-Y237 PolarHBondContact O-N 3.01Å; F233-Y237 VanDerWaalsContact O-N 3.08Å; I234-Y237 CarbonylContact O-C 3.6Å; I234-Y237 PolarHBondContact O-N 2.81Å; Q235-Y237 VanDerWaalsContact C-N 3.34Å; Y237-I240 HydrophobicContact CD1-CD1 4.13Å; Y237-I240 HydrophobicContact CD1-CG1 4.23Å; Y237-I240 HydrophobicContact CG-CD1 4.33Å; Y237-I240 VanDerWaalsContact O-CD1 3.29Å; Y237-I240 WeakPolarHBondContact O-CD1 3.2Å; Y237-I240 VanDerWaalsContact O-CG1 3.28Å; Y237-I240 WeakPolarHBondContact O-CG1 3.49Å; Y237-E249 PolarHBondContact OH-OE2 2.79Å; Y237-E249 VanDerWaalsContact OH-OE2 3.06Å; Y237-L250 HydrophobicContact CD1-CB 4.36Å; Y237-L250 HydrophobicContact CE1-CB 4.12Å
238	Q	64.3	Low	66.7	Low	99 Å²	99	73.8 Å²	73.8	46%	0.463	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-31	-176.7	-160.6	168.4	-15.3	0	0	113.5	I234	I234-Q238 WeakPolarHBondContact O-CA 3.34Å; I234-Q238 VanDerWaalsContact O-CB 3.3Å; I234-Q238 WeakPolarHBondContact O-CB 3.41Å; I234-Q238 PolarHBondContact O-N 3.18Å
239	D	60.5	Low	66.9	Low	80 Å²	80	67.6 Å²	67.6	43%	0.428	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	25.8	-173.1	-88.1	-60	0	0	0	113.5	E241 K242 E243	D239-E241 PolarHBondContact O-N 2.69Å; D239-K242 PolarHBondContact O-N 3.34Å; D239-K242 WeakPolarHBondContact OD1-CE 3.3Å; D239-K242 IonicContact OD1-NZ 2.97Å; D239-K242 PolarHBondContact OD1-NZ 2.9Å; D239-E243 PolarHBondContact O-N 3.03Å
240	I	58.5	Low	67	Low	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.3	179.5	-59.5	160.9	0	0	0	112.6	L210 Y237 K242 A247 L250 F499 L501	L210-I240 HydrophobicContact CD2-CD1 4.26Å; Y237-I240 HydrophobicContact CD1-CD1 4.13Å; Y237-I240 HydrophobicContact CD1-CG1 4.23Å; Y237-I240 HydrophobicContact CG-CD1 4.33Å; Y237-I240 VanDerWaalsContact O-CD1 3.29Å; Y237-I240 WeakPolarHBondContact O-CD1 3.2Å; Y237-I240 VanDerWaalsContact O-CG1 3.28Å; Y237-I240 WeakPolarHBondContact O-CG1 3.49Å; I240-K242 PolarHBondContact O-N 2.72Å; I240-A247 HydrophobicContact CG2-CB 3.51Å; I240-L250 HydrophobicContact CD1-CD2 3.77Å; I240-F499 WeakPolarHBondContact CB-O 3.46Å; I240-F499 HydrophobicContact CD1-CB 4.43Å; I240-F499 WeakPolarHBondContact CD1-O 3.38Å; I240-F499 HydrophobicContact CG2-CB 4.19Å; I240-F499 WeakPolarHBondContact CG2-O 3.4Å; I240-L501 HydrophobicContact CD1-CD1 4.19Å
241	E	52.3	Low	66.9	Low	117 Å²	117	69.8 Å²	69.8	55%	0.547	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22	175.4	-38.7	-157	139.8	0	0	113.7	D239 T500	D239-E241 PolarHBondContact O-N 2.69Å; E241-T500 HydrophobicContact CB-CG2 4.28Å; E241-T500 HydrophobicContact CG-CG2 4.37Å
242	K	54.7	Low	67.2	Low	166 Å²	166	74.2 Å²	74.2	72%	0.722	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-27.4	-178.1	-62.7	171.1	-169.4	148.5	0	113.3	D239 I240	D239-K242 PolarHBondContact O-N 3.34Å; D239-K242 WeakPolarHBondContact OD1-CE 3.3Å; D239-K242 IonicContact OD1-NZ 2.97Å; D239-K242 PolarHBondContact OD1-NZ 2.9Å; I240-K242 PolarHBondContact O-N 2.72Å
243	E	59.2	Low	67.4	Low	112 Å²	112	70 Å²	70	52%	0.523	34%	0.337	S	S	.	.			trans	-116.9	104.8	-172.3	-68.5	-176	168.4	0	0	112.2	D239 E245 S246 A247	D239-E243 PolarHBondContact O-N 3.03Å; E243-E245 PolarHBondContact O-N 2.72Å; E243-S246 PolarHBondContact O-N 2.87Å; E243-S246 PolarHBondContact OE2-OG 3.29Å; E243-S246 VanDerWaalsContact OE2-OG 3.09Å; E243-A247 PolarHBondContact O-N 3.29Å
244	S	62.1	Low	67.5	Low	69 Å²	69	70.2 Å²	70.2	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-32.3	177.1	-169.9	0	0	0	0	113	A247 S248 H498	S244-A247 PolarHBondContact O-N 3.03Å; S244-S248 PolarHBondContact O-N 2.98Å; S244-S248 VanDerWaalsContact O-N 3.16Å; S244-H498 VanDerWaalsContact CB-CE1 3.46Å; S244-H498 WeakPolarHBondContact CB-CE1 3.29Å; S244-H498 PolarHBondContact OG-CE1 3.3Å; S244-H498 VanDerWaalsContact OG-CE1 3.28Å; S244-H498 PolarHBondContact OG-NE2 3.01Å
245	E	66.9	Low	67.6	Low	162 Å²	162	74 Å²	74	76%	0.757	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-44.7	179	-63.5	-165.3	150.9	0	0	111.5	E243 A247 S248 E249	E243-E245 PolarHBondContact O-N 2.72Å; E245-A247 VanDerWaalsContact C-N 3.34Å; E245-A247 PolarHBondContact O-N 3.41Å; E245-S248 CarbonylContact O-C 3.58Å; E245-S248 WeakPolarHBondContact O-CA 3.3Å; E245-S248 WeakPolarHBondContact O-CB 3.5Å; E245-S248 PolarHBondContact O-N 3.15Å; E245-S248 PolarHBondContact O-OG 2.68Å; E245-E249 PolarHBondContact O-N 2.9Å
246	S	65	Low	67.9	Low	17 Å²	17	68.4 Å²	68.4	12%	0.119	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-35.1	179.3	-57.7	0	0	0	0	112.6	E243 L250	E243-S246 PolarHBondContact O-N 2.87Å; E243-S246 PolarHBondContact OE2-OG 3.29Å; E243-S246 VanDerWaalsContact OE2-OG 3.09Å; S246-L250 PolarHBondContact O-N 3.02Å; S246-L250 VanDerWaalsContact O-N 3.15Å
247	A	64.8	Low	68.4	Low	2 Å²	2	63.2 Å²	63.2	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-44	168.3	0	0	0	0	0	112.2	I240 E243 S244 E245 L250 H251	I240-A247 HydrophobicContact CG2-CB 3.51Å; E243-A247 PolarHBondContact O-N 3.29Å; S244-A247 PolarHBondContact O-N 3.03Å; E245-A247 VanDerWaalsContact C-N 3.34Å; E245-A247 PolarHBondContact O-N 3.41Å; A247-L250 PolarHBondContact O-N 3.36Å; A247-H251 PolarHBondContact O-N 3.16Å
248	S	68.9	Low	69.2	Low	48 Å²	48	64.4 Å²	64.4	34%	0.336	32%	0.317	S	S	.	.	H	α-helix	trans	-71.7	-32.7	-178.2	85.9	0	0	0	0	113.1	S244 E245 H251 K252	S244-S248 PolarHBondContact O-N 2.98Å; S244-S248 VanDerWaalsContact O-N 3.16Å; E245-S248 CarbonylContact O-C 3.58Å; E245-S248 WeakPolarHBondContact O-CA 3.3Å; E245-S248 WeakPolarHBondContact O-CB 3.5Å; E245-S248 PolarHBondContact O-N 3.15Å; E245-S248 PolarHBondContact O-OG 2.68Å; S248-H251 PolarHBondContact O-N 3.12Å; S248-K252 WeakPolarHBondContact O-CD 3.46Å; S248-K252 VanDerWaalsContact O-CG 3.31Å; S248-K252 WeakPolarHBondContact O-CG 3.35Å; S248-K252 PolarHBondContact O-N 3.39Å; S248-K252 VanDerWaalsContact O-N 3.12Å
249	E	73.9	Confident	70.2	Confident	54 Å²	54	61.2 Å²	61.2	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-49.3	172.1	-173.6	179.4	-126.4	0	0	109.6	R236 Y237 E245 H251 K252 L253	R236-E249 IonicContact CZ-OE1 3.04Å; R236-E249 IonicContact CZ-OE2 3.76Å; R236-E249 IonicContact NE-OE1 2.68Å; R236-E249 IonicContact NE-OE2 3.92Å; R236-E249 PolarHBondContact NE-OE2 3.17Å; R236-E249 VanDerWaalsContact NH2-CD 3.34Å; R236-E249 IonicContact NH2-OE1 2.73Å; R236-E249 PolarHBondContact NH2-OE1 2.95Å; R236-E249 IonicContact NH2-OE2 2.78Å; R236-E249 PolarHBondContact NH2-OE2 3.34Å; Y237-E249 PolarHBondContact OH-OE2 2.79Å; Y237-E249 VanDerWaalsContact OH-OE2 3.06Å; E245-E249 PolarHBondContact O-N 2.9Å; E249-H251 PolarHBondContact O-N 3.38Å; E249-K252 PolarHBondContact O-N 3.2Å; E249-L253 PolarHBondContact O-N 2.89Å
250	L	74.1	Confident	71.3	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-40.7	175.9	-176.8	60.6	0	0	0	112.2	L213 F233 Y237 I240 S246 A247 K252 L253 L254 F499 L501	L213-L250 HydrophobicContact CD2-CD1 4.42Å; L213-L250 HydrophobicContact CD2-CD2 4.41Å; F233-L250 HydrophobicContact CE2-CD1 4.28Å; F233-L250 HydrophobicContact CZ-CD1 3.83Å; Y237-L250 HydrophobicContact CD1-CB 4.36Å; Y237-L250 HydrophobicContact CE1-CB 4.12Å; I240-L250 HydrophobicContact CD1-CD2 3.77Å; S246-L250 PolarHBondContact O-N 3.02Å; S246-L250 VanDerWaalsContact O-N 3.15Å; A247-L250 PolarHBondContact O-N 3.36Å; L250-K252 PolarHBondContact O-N 3.18Å; L250-L253 HydrophobicContact CD1-CD2 4.46Å; L250-L253 PolarHBondContact O-N 2.94Å; L250-L254 HydrophobicContact CD1-CD1 4.03Å; L250-L254 HydrophobicContact CD1-CG 4.02Å; L250-L254 HydrophobicContact CG-CD1 3.88Å; L250-L254 HydrophobicContact CG-CG 4.3Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 VanDerWaalsContact O-CG 3.28Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.29Å; L250-F499 HydrophobicContact CD2-CB 3.96Å; L250-F499 HydrophobicContact CD2-CD1 4.22Å; L250-F499 HydrophobicContact CD2-CG 4.03Å; L250-F499 HydrophobicContact CG-CG 4.5Å; L250-L501 HydrophobicContact CD2-CD1 3.73Å
251	H	71.5	Confident	72.4	Confident	92 Å²	92	62 Å²	62	43%	0.426	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-47.1	175.6	-167.4	75	0	0	0	112.1	A247 S248 E249 L253 L254 Q255 F499	A247-H251 PolarHBondContact O-N 3.16Å; S248-H251 PolarHBondContact O-N 3.12Å; E249-H251 PolarHBondContact O-N 3.38Å; H251-L253 VanDerWaalsContact C-N 3.31Å; H251-L253 PolarHBondContact O-N 2.91Å; H251-L254 PolarHBondContact O-N 3.28Å; H251-Q255 WeakPolarHBondContact O-CB 3.34Å; H251-Q255 PolarHBondContact O-N 2.93Å; H251-F499 HydrophobicContact CB-CD2 4.31Å; H251-F499 HydrophobicContact CB-CE2 3.62Å; H251-F499 AromaticContact CG-CE2 3.91Å; H251-F499 AromaticContact ND1-CE2 3.42Å; H251-F499 WeakPolarHBondContact ND1-CE2 3.17Å; H251-F499 AromaticContact ND1-CZ 3.8Å
252	K	75.1	Confident	73.6	Confident	138 Å²	138	57.8 Å²	57.8	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-64.1	-36	179.4	-70.8	164.5	-174.7	164	0	112.2	S248 E249 L250 P256	S248-K252 WeakPolarHBondContact O-CD 3.46Å; S248-K252 VanDerWaalsContact O-CG 3.31Å; S248-K252 WeakPolarHBondContact O-CG 3.35Å; S248-K252 PolarHBondContact O-N 3.39Å; S248-K252 VanDerWaalsContact O-N 3.12Å; E249-K252 PolarHBondContact O-N 3.2Å; L250-K252 PolarHBondContact O-N 3.18Å; K252-P256 WeakPolarHBondContact O-CD 3.37Å
253	L	78.4	Confident	74.6	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-39.2	174.5	-179.1	155.1	0	0	0	112.1	F16 L17 L20 L217 F225 E249 L250 H251 P256 F257	F16-L253 HydrophobicContact CD2-CD1 3.71Å; F16-L253 HydrophobicContact CE2-CD1 3.41Å; F16-L253 VanDerWaalsContact CE2-CD1 3.41Å; L17-L253 HydrophobicContact CD2-CD1 4.14Å; L20-L253 HydrophobicContact CD1-CD1 4.31Å; L20-L253 HydrophobicContact CD1-CG 4.14Å; L217-L253 HydrophobicContact CD1-CD2 4.3Å; F225-L253 HydrophobicContact CE1-CD1 4.45Å; F225-L253 HydrophobicContact CE1-CD2 4.13Å; F225-L253 HydrophobicContact CZ-CD2 3.86Å; F225-L253 HydrophobicContact CZ-CG 4.41Å; E249-L253 PolarHBondContact O-N 2.89Å; L250-L253 HydrophobicContact CD1-CD2 4.46Å; L250-L253 PolarHBondContact O-N 2.94Å; H251-L253 VanDerWaalsContact C-N 3.31Å; H251-L253 PolarHBondContact O-N 2.91Å; L253-P256 WeakPolarHBondContact O-CD 3.46Å; L253-P256 WeakPolarHBondContact O-CG 3.15Å; L253-F257 WeakPolarHBondContact O-CD2 3.36Å
254	L	78.3	Confident	75.2	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-79	-30.6	-180	-68.9	175.5	0	0	0	113.8	L213 L217 L250 H251 P256 F257 L258 F499	L213-L254 HydrophobicContact CD1-CD2 3.96Å; L213-L254 HydrophobicContact CD2-CD1 4.09Å; L213-L254 HydrophobicContact CD2-CD2 4.3Å; L213-L254 HydrophobicContact CG-CD2 4.44Å; L217-L254 HydrophobicContact CD1-CD2 3.87Å; L217-L254 HydrophobicContact CD2-CD2 4.01Å; L217-L254 HydrophobicContact CG-CD2 4.39Å; L250-L254 HydrophobicContact CD1-CD1 4.03Å; L250-L254 HydrophobicContact CD1-CG 4.02Å; L250-L254 HydrophobicContact CG-CD1 3.88Å; L250-L254 HydrophobicContact CG-CG 4.3Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 VanDerWaalsContact O-CG 3.28Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.29Å; H251-L254 PolarHBondContact O-N 3.28Å; L254-P256 VanDerWaalsContact C-CD 3.47Å; L254-P256 VanDerWaalsContact C-N 3.32Å; L254-F257 PolarHBondContact O-N 3.45Å; L254-L258 PolarHBondContact O-N 3.31Å; L254-F499 HydrophobicContact CD1-CD1 4.41Å; L254-F499 HydrophobicContact CD1-CE1 3.65Å; L254-F499 HydrophobicContact CD1-CZ 3.71Å
255	Q	76.6	Confident	75.6	Confident	127 Å²	127	52.1 Å²	52.1	59%	0.593	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-41.7	-178.5	-167.6	-169.3	11.9	0	0	114.9	H251	H251-Q255 WeakPolarHBondContact O-CB 3.34Å; H251-Q255 PolarHBondContact O-N 2.93Å
256	P	80.6	Confident	75.9	Confident	27 Å²	27	45.8 Å²	45.8	18%	0.175	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.2	174.7	23.9	-33.7	0	0	0	114.3	W56 R60 K252 L253 L254	W56-P256 VanDerWaalsContact CZ2-O 3.31Å; W56-P256 WeakPolarHBondContact CZ2-O 3.17Å; R60-P256 VanDerWaalsContact CD-O 3.3Å; R60-P256 WeakPolarHBondContact CD-O 3.39Å; R60-P256 PolarHBondContact NE-O 2.99Å; K252-P256 WeakPolarHBondContact O-CD 3.37Å; L253-P256 WeakPolarHBondContact O-CD 3.46Å; L253-P256 WeakPolarHBondContact O-CG 3.15Å; L254-P256 VanDerWaalsContact C-CD 3.47Å; L254-P256 VanDerWaalsContact C-N 3.32Å
257	F	82.8	Confident	75.7	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.013	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-23	-172.9	-55.5	-73.5	0	0	0	114	L20 N65 I68 L217 E221 L224 F225 L253 L254	L20-F257 HydrophobicContact CD2-CE2 4.07Å; L20-F257 HydrophobicContact CD2-CZ 4.16Å; N65-F257 HydrophobicContact CB-CE1 4.27Å; I68-F257 PolarHBondContact N-O 3.01Å; L217-F257 HydrophobicContact CD2-CB 4.2Å; L217-F257 HydrophobicContact CD2-CD2 4.41Å; L217-F257 HydrophobicContact CD2-CG 4.42Å; E221-F257 HydrophobicContact CB-CE1 4.3Å; E221-F257 HydrophobicContact CG-CE1 4.16Å; L224-F257 HydrophobicContact CD1-CZ 4.08Å; F225-F257 HydrophobicContact CE2-CD2 4.48Å; F225-F257 HydrophobicContact CE2-CE2 4.02Å; F225-F257 HydrophobicContact CE2-CZ 4.25Å; F225-F257 HydrophobicContact CZ-CE2 4.25Å; L253-F257 WeakPolarHBondContact O-CD2 3.36Å; L254-F257 PolarHBondContact O-N 3.45Å
258	L	84.8	Confident	75.6	Confident	27 Å²	27	51.5 Å²	51.5	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.7	-172.4	179.6	65.2	0	0	0	111.7	I68 P205 L254	I68-L258 HydrophobicContact CB-CD1 3.88Å; I68-L258 HydrophobicContact CG2-CD1 3.67Å; I68-L258 WeakPolarHBondContact O-CA 3.46Å; P205-L258 HydrophobicContact CB-CD1 3.87Å; P205-L258 HydrophobicContact CG-CD1 4.09Å; L254-L258 PolarHBondContact O-N 3.31Å
259	L	85.6	Confident	75.4	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.162	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.2	166.2	-178.8	62.9	0	0	0	109.6	W56 I68 L69 G70	W56-L259 HydrophobicContact CB-CD2 4.21Å; W56-L259 HydrophobicContact CD2-CB 3.92Å; W56-L259 HydrophobicContact CD2-CD2 3.97Å; W56-L259 HydrophobicContact CD2-CG 4.44Å; W56-L259 HydrophobicContact CE3-CB 3.78Å; W56-L259 HydrophobicContact CE3-CD2 3.85Å; W56-L259 HydrophobicContact CE3-CG 4.45Å; W56-L259 HydrophobicContact CG-CD2 4.15Å; W56-L259 HydrophobicContact CH2-CB 3.71Å; W56-L259 HydrophobicContact CZ2-CB 3.85Å; W56-L259 HydrophobicContact CZ3-CB 3.68Å; W56-L259 HydrophobicContact CZ3-CD2 4.5Å; I68-L259 PolarHBondContact O-N 2.96Å; L69-L259 HydrophobicContact CD1-CB 4.19Å; L69-L259 HydrophobicContact CD1-CD2 3.93Å; L69-L259 HydrophobicContact CD1-CG 4.21Å; G70-L259 WeakPolarHBondContact CA-O 3.39Å; G70-L259 PolarHBondContact N-O 3.26Å
260	R	83.1	Confident	75.1	Confident	75 Å²	75	54.3 Å²	54.3	28%	0.283	28%	0.282	S	S	.	.			trans	-139.5	132.2	178.1	173.2	170.9	-174	148.4	12.6	110.9	G70	G70-R260 WeakPolarHBondContact O-CG 3.41Å
261	R	82.6	Confident	75	Confident	24 Å²	24	55.8 Å²	55.8	9%	0.091	29%	0.291	C	S	.	.			trans	-136	152.8	173.6	-65.3	161.6	-67.1	-165	7.3	110.4	Y49 D71 E72 L75 E265 V266	Y49-R261 PolarHBondContact O-NH1 2.96Å; D71-R261 IonicContact OD1-CZ 3.02Å; D71-R261 PolarHBondContact OD1-N 2.76Å; D71-R261 IonicContact OD1-NE 2.8Å; D71-R261 PolarHBondContact OD1-NE 2.95Å; D71-R261 IonicContact OD1-NH2 2.68Å; D71-R261 PolarHBondContact OD1-NH2 3.24Å; D71-R261 IonicContact OD2-CZ 3.82Å; D71-R261 IonicContact OD2-NE 2.76Å; D71-R261 IonicContact OD2-NH2 3.39Å; D71-R261 PolarHBondContact OD2-NH2 3.14Å; E72-R261 PolarHBondContact N-O 2.71Å; L75-R261 HydrophobicContact CD1-CB 4.36Å; L75-R261 WeakPolarHBondContact CD1-O 3.42Å; R261-E265 WeakPolarHBondContact CA-OE2 3.35Å; R261-V266 HydrophobicContact CB-CG1 3.99Å; R261-V266 HydrophobicContact CG-CG1 4.34Å
262	V	77.4	Confident	75.1	Confident	29 Å²	29	59.2 Å²	59.2	18%	0.176	31%	0.305	C	S	.	.			trans	-109.7	154.8	176.1	-61.7	0	0	0	0	112.4	A264 E265 V266	V262-A264 HydrophobicContact CG2-CB 4.32Å; V262-A264 PolarHBondContact O-N 3.44Å; V262-E265 HydrophobicContact CG2-CB 4.38Å; V262-E265 VanDerWaalsContact CG2-CD 3.46Å; V262-E265 HydrophobicContact CG2-CG 3.66Å; V262-E265 WeakPolarHBondContact CG2-OE2 3.26Å; V262-E265 PolarHBondContact N-OE2 3.48Å; V262-E265 PolarHBondContact O-N 3.1Å; V262-E265 VanDerWaalsContact O-N 3.07Å; V262-V266 PolarHBondContact O-N 3.21Å
263	K	75.9	Confident	75.5	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-34.4	-178.9	-75.7	170.3	-171.4	148.8	0	113.4	E72 M73 L75 E265 V266 A267 L270 H456	E72-K263 WeakPolarHBondContact OE1-CD 3.42Å; E72-K263 WeakPolarHBondContact OE1-CE 3.5Å; E72-K263 IonicContact OE1-NZ 3.46Å; E72-K263 PolarHBondContact OE1-NZ 3.01Å; E72-K263 WeakPolarHBondContact OE2-CB 3.33Å; E72-K263 WeakPolarHBondContact OE2-CG 3.11Å; E72-K263 PolarHBondContact OE2-N 2.84Å; M73-K263 WeakPolarHBondContact O-CE 3.23Å; M73-K263 PolarHBondContact O-NZ 3.29Å; L75-K263 HydrophobicContact CD2-CG 3.74Å; L75-K263 HydrophobicContact CG-CG 4.32Å; K263-E265 PolarHBondContact O-N 2.93Å; K263-V266 PolarHBondContact O-N 3.41Å; K263-A267 HydrophobicContact CB-CB 4.46Å; K263-A267 WeakPolarHBondContact O-CA 3.41Å; K263-A267 WeakPolarHBondContact O-CB 3.26Å; K263-A267 PolarHBondContact O-N 3.13Å; K263-L270 HydrophobicContact CB-CD2 4.49Å; K263-L270 HydrophobicContact CD-CD2 3.74Å; K263-L270 HydrophobicContact CG-CD2 4.26Å; K263-H456 PolarHBondContact NZ-O 3.33Å
264	A	70.1	Confident	75.6	Confident	91 Å²	91	58.6 Å²	58.6	75%	0.752	31%	0.306	S	S	*	.	H	α-helix	trans	-61.7	-31.2	179.1	0	0	0	0	0	113.1	V262	V262-A264 HydrophobicContact CG2-CB 4.32Å; V262-A264 PolarHBondContact O-N 3.44Å
265	E	72.1	Confident	75.8	Confident	128 Å²	128	63 Å²	63	60%	0.598	33%	0.327	S	S	*	.	H	α-helix	trans	-80.7	-40.1	179.1	-65.2	162.7	159.8	0	0	112.2	R261 V262 K263	R261-E265 WeakPolarHBondContact CA-OE2 3.35Å; V262-E265 HydrophobicContact CG2-CB 4.38Å; V262-E265 VanDerWaalsContact CG2-CD 3.46Å; V262-E265 HydrophobicContact CG2-CG 3.66Å; V262-E265 WeakPolarHBondContact CG2-OE2 3.26Å; V262-E265 PolarHBondContact N-OE2 3.48Å; V262-E265 PolarHBondContact O-N 3.1Å; V262-E265 VanDerWaalsContact O-N 3.07Å; K263-E265 PolarHBondContact O-N 2.93Å
266	V	72.4	Confident	76.1	Confident	29 Å²	29	58.1 Å²	58.1	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-113.6	-11.4	-163.6	-53.9	0	0	0	0	115.5	Y49 L75 R261 V262 K263	Y49-V266 HydrophobicContact CD1-CB 3.6Å; Y49-V266 HydrophobicContact CD1-CG1 4.41Å; Y49-V266 HydrophobicContact CD1-CG2 3.89Å; Y49-V266 HydrophobicContact CD2-CB 4.39Å; Y49-V266 HydrophobicContact CD2-CG2 4.25Å; Y49-V266 HydrophobicContact CE1-CB 4.11Å; Y49-V266 HydrophobicContact CE1-CG2 3.91Å; Y49-V266 HydrophobicContact CE2-CG2 4.31Å; Y49-V266 HydrophobicContact CG-CB 3.76Å; Y49-V266 HydrophobicContact CG-CG1 4.1Å; Y49-V266 HydrophobicContact CG-CG2 4.07Å; L75-V266 HydrophobicContact CD1-CG2 3.91Å; L75-V266 HydrophobicContact CD2-CG2 3.5Å; L75-V266 HydrophobicContact CG-CG2 4.35Å; R261-V266 HydrophobicContact CB-CG1 3.99Å; R261-V266 HydrophobicContact CG-CG1 4.34Å; V262-V266 PolarHBondContact O-N 3.21Å; K263-V266 PolarHBondContact O-N 3.41Å
267	A	61.8	Low	76.3	Confident	8 Å²	8	58.9 Å²	58.9	7%	0.066	31%	0.31	C	S	.	.			trans	-127.8	56.1	-171.1	0	0	0	0	0	112	K263 E269 L270	K263-A267 HydrophobicContact CB-CB 4.46Å; K263-A267 WeakPolarHBondContact O-CA 3.41Å; K263-A267 WeakPolarHBondContact O-CB 3.26Å; K263-A267 PolarHBondContact O-N 3.13Å; A267-E269 PolarHBondContact O-N 2.85Å; A267-L270 HydrophobicContact CB-CB 3.97Å; A267-L270 VanDerWaalsContact O-CB 3.28Å; A267-L270 WeakPolarHBondContact O-CB 3.47Å; A267-L270 PolarHBondContact O-N 2.89Å
268	T	62.5	Low	76.4	Confident	132 Å²	132	59 Å²	59	81%	0.81	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.9	174.1	48.4	0	0	0	0	114	L270	T268-L270 VanDerWaalsContact C-N 3.35Å
269	E	63.1	Low	76.3	Confident	138 Å²	138	60.7 Å²	60.7	65%	0.645	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.2	174	-63	176.3	171.4	0	0	114.2	R47 A267	R47-E269 IonicContact CZ-OE2 2.74Å; R47-E269 IonicContact NH1-OE2 3.34Å; R47-E269 PolarHBondContact NH1-OE2 2.9Å; R47-E269 IonicContact NH2-OE2 3.17Å; R47-E269 PolarHBondContact NH2-OE2 3.41Å; A267-E269 PolarHBondContact O-N 2.85Å
270	L	68.9	Low	76.2	Confident	23 Å²	23	59.4 Å²	59.4	12%	0.12	31%	0.308	C	S	.	.	S	Bend	trans	-75.9	129.3	-175.4	-167.9	74.3	0	0	0	109.5	K263 A267 T268 K272 H456	K263-L270 HydrophobicContact CB-CD2 4.49Å; K263-L270 HydrophobicContact CD-CD2 3.74Å; K263-L270 HydrophobicContact CG-CD2 4.26Å; A267-L270 HydrophobicContact CB-CB 3.97Å; A267-L270 VanDerWaalsContact O-CB 3.28Å; A267-L270 WeakPolarHBondContact O-CB 3.47Å; A267-L270 PolarHBondContact O-N 2.89Å; T268-L270 VanDerWaalsContact C-N 3.35Å; L270-K272 PolarHBondContact O-N 3.32Å; L270-H456 WeakPolarHBondContact CD2-CE1 3.43Å
271	P	72.3	Confident	76	Confident	30 Å²	30	56.1 Å²	56.1	20%	0.195	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-54	138	175.8	-26.7	35	0	0	0	111.7	K273 H456 K462	P271-K273 PolarHBondContact O-N 3.01Å; P271-H456 PolarHBondContact O-NE2 3Å; P271-K462 WeakPolarHBondContact CB-O 3.06Å
272	K	73.9	Confident	75.8	Confident	164 Å²	164	55.1 Å²	55.1	71%	0.713	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-59	134.5	178.4	-69.2	-175.6	179.5	179.2	0	109.7	L270 S463	L270-K272 PolarHBondContact O-N 3.32Å; K272-S463 PolarHBondContact O-OG 3.02Å; K272-S463 VanDerWaalsContact O-OG 3.08Å
273	K	81.8	Confident	76.2	Confident	82 Å²	82	54.2 Å²	54.2	36%	0.357	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.1	164.6	60.3	166.5	-173.9	161.8	0	109.6	P271 E275 H456 V464	P271-K273 PolarHBondContact O-N 3.01Å; K273-E275 WeakPolarHBondContact CE-OE1 3.44Å; K273-E275 IonicContact NZ-OE1 2.86Å; K273-E275 PolarHBondContact NZ-OE1 2.69Å; K273-H456 PolarHBondContact N-NE2 3.46Å; K273-V464 WeakPolarHBondContact CA-O 3.46Å
274	T	80.9	Confident	76.5	Confident	51 Å²	51	56.8 Å²	56.8	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.1	167.1	54	0	0	0	0	109	V464 V466	T274-V464 PolarHBondContact N-O 3.44Å; T274-V466 PolarHBondContact O-N 3.36Å
275	E	82.7	Confident	77.2	Confident	95 Å²	95	55.3 Å²	55.3	44%	0.444	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.3	177.1	-55.2	-164.7	-161	0	0	108.8	K273 V466	K273-E275 WeakPolarHBondContact CE-OE1 3.44Å; K273-E275 IonicContact NZ-OE1 2.86Å; K273-E275 PolarHBondContact NZ-OE1 2.69Å; E275-V466 CarbonylContact C-O 3.58Å; E275-V466 WeakPolarHBondContact CA-O 3.42Å; E275-V466 HydrophobicContact CG-CB 4.11Å; E275-V466 HydrophobicContact CG-CG2 4.46Å
276	V	83.8	Confident	77.8	Confident	26 Å²	26	49.2 Å²	49.2	16%	0.158	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.3	-176.9	-177.1	0	0	0	0	108.8	I278 K465 V466 I467 R468 I541	V276-I278 HydrophobicContact CG1-CG1 4.16Å; V276-K465 HydrophobicContact CG2-CD 4.42Å; V276-K465 HydrophobicContact CG2-CG 4.39Å; V276-V466 PolarHBondContact N-O 3.38Å; V276-I467 CarbonylContact O-C 3.49Å; V276-I467 WeakPolarHBondContact O-CA 3.46Å; V276-R468 PolarHBondContact O-N 3.24Å; V276-I541 HydrophobicContact CG1-CG2 4.26Å
277	V	84.3	Confident	78.4	Confident	42 Å²	42	48.3 Å²	48.3	26%	0.255	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121	173.7	179.8	0	0	0	0	108.1	Y279 I470 Y480	V277-Y279 HydrophobicContact CB-CE2 4.41Å; V277-Y279 HydrophobicContact CG1-CD2 4.12Å; V277-Y279 HydrophobicContact CG1-CE1 4.36Å; V277-Y279 HydrophobicContact CG1-CE2 3.68Å; V277-I470 HydrophobicContact CG1-CD1 3.5Å; V277-I470 HydrophobicContact CG1-CG1 4Å; V277-Y480 HydrophobicContact CG2-CE1 4.07Å; V277-Y480 HydrophobicContact CG2-CE2 4.3Å; V277-Y480 WeakPolarHBondContact CG2-OH 3.33Å
278	I	84.1	Confident	79.4	Confident	6 Å²	6	55 Å²	55	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.8	175.6	-49.8	178.9	0	0	0	108.7	V276 L351 I467 R468 L469 I470 L542	V276-I278 HydrophobicContact CG1-CG1 4.16Å; I278-L351 HydrophobicContact CB-CD2 4.24Å; I278-L351 HydrophobicContact CG2-CD1 4.16Å; I278-L351 HydrophobicContact CG2-CD2 3.57Å; I278-L351 HydrophobicContact CG2-CG 4.48Å; I278-I467 HydrophobicContact CD1-CG2 3.51Å; I278-I467 HydrophobicContact CG1-CG2 3.89Å; I278-R468 PolarHBondContact N-O 3.47Å; I278-L469 HydrophobicContact CB-CD2 4.26Å; I278-I470 PolarHBondContact O-N 3.34Å; I278-L542 HydrophobicContact CD1-CD2 4.27Å
279	Y	82.7	Confident	80.5	Confident	63 Å²	63	51.9 Å²	51.9	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.8	178.9	-74	-79.1	0	0	0	110.8	V277 I470 R472 E477	V277-Y279 HydrophobicContact CB-CE2 4.41Å; V277-Y279 HydrophobicContact CG1-CD2 4.12Å; V277-Y279 HydrophobicContact CG1-CE1 4.36Å; V277-Y279 HydrophobicContact CG1-CE2 3.68Å; Y279-I470 CarbonylContact C-O 3.58Å; Y279-I470 VanDerWaalsContact CA-O 3.31Å; Y279-I470 WeakPolarHBondContact CA-O 3.48Å; Y279-I470 HydrophobicContact CD1-CB 4.14Å; Y279-I470 HydrophobicContact CD1-CG2 4.15Å; Y279-I470 HydrophobicContact CE1-CB 4.22Å; Y279-I470 HydrophobicContact CE1-CG2 3.98Å; Y279-R472 HydrophobicContact CD1-CG 4.17Å; Y279-R472 HydrophobicContact CG-CG 4.3Å; Y279-E477 HydrophobicContact CE1-CG 4.16Å
280	H	83.6	Confident	81.5	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.1	176.8	69.3	86.4	0	0	0	112.7	K348 L351 I470 G471 R472	H280-K348 WeakPolarHBondContact NE2-CE 3.3Å; H280-L351 HydrophobicContact CB-CB 4.46Å; H280-L351 HydrophobicContact CB-CD2 3.79Å; H280-I470 VanDerWaalsContact CD2-C 3.41Å; H280-I470 PolarHBondContact CD2-O 3.38Å; H280-I470 PolarHBondContact N-O 2.98Å; H280-G471 PolarHBondContact NE2-N 3.12Å; H280-R472 PolarHBondContact O-N 3.06Å
281	G	78.8	Confident	82.1	Confident	7 Å²	7	46.9 Å²	46.9	7%	0.072	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-80.9	173.6	169.4	0	0	0	0	0	113.2	T532 M533	G281-T532 WeakPolarHBondContact CA-O 3.34Å; G281-M533 WeakPolarHBondContact O-CE 3.45Å
282	M	79	Confident	82.5	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-102.3	143	171.9	-63.8	179.7	73.8	0	0	110.4	Q286 K287 Y290 V322 T474 L525	M282-Q286 HydrophobicContact CB-CB 4.14Å; M282-Q286 HydrophobicContact CE-CB 3.76Å; M282-K287 HydrophobicContact CB-CG 3.89Å; M282-Y290 HydrophobicContact CE-CD2 3.67Å; M282-Y290 HydrophobicContact CE-CE2 4.39Å; M282-Y290 HydrophobicContact CE-CG 3.91Å; M282-V322 HydrophobicContact CE-CG2 4.23Å; M282-T474 HydrophobicContact CG-CG2 4.02Å; M282-T474 HydrophobicContact SD-CG2 3.56Å; M282-T474 VanDerWaalsContact SD-CG2 3.56Å; M282-L525 HydrophobicContact SD-CD2 3.89Å
283	S	85.2	Confident	83	Confident	10 Å²	10	41.2 Å²	41.2	7%	0.07	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67.2	162.3	170.9	82.7	0	0	0	0	111.6	L285 Q286 K287 A345	S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 PolarHBondContact OG-N 3.11Å; S283-Q286 PolarHBondContact O-N 3.03Å; S283-Q286 WeakPolarHBondContact OG-CG 3.33Å; S283-Q286 PolarHBondContact OG-N 2.9Å; S283-K287 WeakPolarHBondContact O-CG 3.37Å; S283-K287 PolarHBondContact O-N 2.97Å; S283-A345 WeakPolarHBondContact CB-O 3.44Å; S283-A345 PolarHBondContact OG-O 2.89Å
284	A	82.9	Confident	82.8	Confident	63 Å²	63	37.9 Å²	37.9	52%	0.521	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-35.1	175.4	0	0	0	0	0	112.2	K288	A284-K288 PolarHBondContact O-N 2.98Å; A284-K288 VanDerWaalsContact O-N 3.12Å
285	L	83.5	Confident	82.3	Confident	59 Å²	59	38.9 Å²	38.9	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-50.4	174.9	-166.8	69	0	0	0	110.4	S283 K287 K288 Y289 P325 V331 A345	S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 PolarHBondContact OG-N 3.11Å; L285-K287 PolarHBondContact O-N 3.43Å; L285-K288 WeakPolarHBondContact O-CB 3.41Å; L285-K288 PolarHBondContact O-N 2.85Å; L285-K288 VanDerWaalsContact O-N 3.13Å; L285-Y289 HydrophobicContact CD1-CD2 4.26Å; L285-Y289 HydrophobicContact CD1-CE2 3.82Å; L285-Y289 HydrophobicContact CG-CD2 4.17Å; L285-Y289 HydrophobicContact CG-CE2 4.12Å; L285-Y289 WeakPolarHBondContact O-CD2 3.49Å; L285-Y289 PolarHBondContact O-N 2.85Å; L285-P325 HydrophobicContact CD2-CB 3.69Å; L285-P325 HydrophobicContact CD2-CG 3.92Å; L285-P325 HydrophobicContact CG-CB 4.21Å; L285-P325 HydrophobicContact CG-CG 4.26Å; L285-V331 HydrophobicContact CD2-CG1 4.15Å; L285-A345 HydrophobicContact CD2-CB 4.33Å
286	Q	85.9	Confident	81.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-46.9	176.3	-70	178.6	-63.4	0	0	111.6	M282 S283 K288 Y289 Y290 C321 V322 P325 S346	M282-Q286 HydrophobicContact CB-CB 4.14Å; M282-Q286 HydrophobicContact CE-CB 3.76Å; S283-Q286 PolarHBondContact O-N 3.03Å; S283-Q286 WeakPolarHBondContact OG-CG 3.33Å; S283-Q286 PolarHBondContact OG-N 2.9Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.22Å; Q286-Y289 PolarHBondContact O-N 3.49Å; Q286-Y290 VanDerWaalsContact O-CB 3.27Å; Q286-Y290 WeakPolarHBondContact O-CB 3.41Å; Q286-Y290 PolarHBondContact O-N 3.26Å; Q286-C321 WeakPolarHBondContact CG-O 3.47Å; Q286-C321 PolarHBondContact NE2-O 3.33Å; Q286-C321 PolarHBondContact O-SG 3.44Å; Q286-V322 PolarHBondContact NE2-O 2.94Å; Q286-P325 HydrophobicContact CG-CG 3.5Å; Q286-P325 VanDerWaalsContact CG-CG 3.5Å; Q286-S346 PolarHBondContact NE2-OG 2.77Å
287	K	83.9	Confident	80.8	Confident	11 Å²	11	44.4 Å²	44.4	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-40.5	176.8	-72.9	-174.2	177.2	-170.1	0	112.5	M282 S283 L285 K291 S528 G530	M282-K287 HydrophobicContact CB-CG 3.89Å; S283-K287 WeakPolarHBondContact O-CG 3.37Å; S283-K287 PolarHBondContact O-N 2.97Å; L285-K287 PolarHBondContact O-N 3.43Å; K287-K291 WeakPolarHBondContact O-CB 3.41Å; K287-K291 WeakPolarHBondContact O-CG 3.48Å; K287-K291 PolarHBondContact O-N 2.64Å; K287-S528 PolarHBondContact NZ-O 3.36Å; K287-S528 PolarHBondContact NZ-OG 3.22Å; K287-G530 PolarHBondContact NZ-O 3.03Å
288	K	84.3	Confident	79.8	Confident	147 Å²	147	43.1 Å²	43.1	64%	0.639	22%	0.219	S	C	*	.	H	α-helix	trans	-63.8	-48.5	177.1	-174.9	-177	177	-173.4	0	111.9	A284 L285 Q286 A292	A284-K288 PolarHBondContact O-N 2.98Å; A284-K288 VanDerWaalsContact O-N 3.12Å; L285-K288 WeakPolarHBondContact O-CB 3.41Å; L285-K288 PolarHBondContact O-N 2.85Å; L285-K288 VanDerWaalsContact O-N 3.13Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.22Å; K288-A292 WeakPolarHBondContact O-CB 3.41Å; K288-A292 PolarHBondContact O-N 2.83Å
289	Y	84.9	Confident	78.6	Confident	68 Å²	68	48.1 Å²	48.1	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-67	-39.9	178.3	-81.8	-87.9	0	0	0	112.2	L285 Q286 K291 A292 I293 V331	L285-Y289 HydrophobicContact CD1-CD2 4.26Å; L285-Y289 HydrophobicContact CD1-CE2 3.82Å; L285-Y289 HydrophobicContact CG-CD2 4.17Å; L285-Y289 HydrophobicContact CG-CE2 4.12Å; L285-Y289 WeakPolarHBondContact O-CD2 3.49Å; L285-Y289 PolarHBondContact O-N 2.85Å; Q286-Y289 PolarHBondContact O-N 3.49Å; Y289-K291 PolarHBondContact O-N 3.31Å; Y289-A292 PolarHBondContact O-N 3.27Å; Y289-I293 WeakPolarHBondContact O-CD1 3.44Å; Y289-I293 WeakPolarHBondContact O-CG1 3.45Å; Y289-I293 PolarHBondContact O-N 2.92Å; Y289-V331 HydrophobicContact CD1-CG2 4.45Å; Y289-V331 HydrophobicContact CD2-CG1 4.43Å; Y289-V331 HydrophobicContact CE1-CG1 4.46Å; Y289-V331 HydrophobicContact CE1-CG2 3.55Å; Y289-V331 HydrophobicContact CE2-CG1 3.67Å; Y289-V331 HydrophobicContact CE2-CG2 4.26Å; Y289-V331 VanDerWaalsContact CZ-CG2 3.46Å; Y289-V331 WeakPolarHBondContact OH-CG2 3.41Å
290	Y	84.3	Confident	77.5	Confident	10 Å²	10	45.3 Å²	45.3	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-44.8	177.3	-163.1	-84.4	0	0	0	111.9	M282 Q286 I293 L294 L318 C321 V322 V475 L525	M282-Y290 HydrophobicContact CE-CD2 3.67Å; M282-Y290 HydrophobicContact CE-CE2 4.39Å; M282-Y290 HydrophobicContact CE-CG 3.91Å; Q286-Y290 VanDerWaalsContact O-CB 3.27Å; Q286-Y290 WeakPolarHBondContact O-CB 3.41Å; Q286-Y290 PolarHBondContact O-N 3.26Å; Y290-I293 PolarHBondContact O-N 3.22Å; Y290-L294 HydrophobicContact CD1-CD1 3.87Å; Y290-L294 HydrophobicContact CE1-CD1 3.76Å; Y290-L294 WeakPolarHBondContact O-CG 3.07Å; Y290-L294 PolarHBondContact O-N 3.45Å; Y290-L318 HydrophobicContact CD1-CD2 4.14Å; Y290-L318 HydrophobicContact CD2-CB 4.46Å; Y290-L318 HydrophobicContact CD2-CD2 3.67Å; Y290-L318 HydrophobicContact CE1-CD2 4.19Å; Y290-L318 HydrophobicContact CE2-CB 4.02Å; Y290-L318 HydrophobicContact CE2-CD2 3.74Å; Y290-L318 HydrophobicContact CE2-CG 4.34Å; Y290-L318 HydrophobicContact CG-CD2 3.91Å; Y290-C321 HydrophobicContact CD2-CB 4.38Å; Y290-C321 PolarHBondContact N-SG 2.77Å; Y290-C321 VanDerWaalsContact N-SG 3.4Å; Y290-V322 HydrophobicContact CD2-CG2 4.16Å; Y290-V322 HydrophobicContact CE2-CG2 3.87Å; Y290-V475 WeakPolarHBondContact OH-CG2 3.48Å; Y290-V475 PolarHBondContact OH-N 3.46Å; Y290-L525 HydrophobicContact CD1-CD1 3.86Å; Y290-L525 HydrophobicContact CE1-CD1 3.41Å; Y290-L525 VanDerWaalsContact CE1-CD1 3.41Å
291	K	81.7	Confident	76.3	Confident	46 Å²	46	46.4 Å²	46.4	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-45.3	172.2	-71.6	176.3	-175.2	-176	0	111.5	K287 Y289 I293 L294 M295 L525 L526	K287-K291 WeakPolarHBondContact O-CB 3.41Å; K287-K291 WeakPolarHBondContact O-CG 3.48Å; K287-K291 PolarHBondContact O-N 2.64Å; Y289-K291 PolarHBondContact O-N 3.31Å; K291-I293 PolarHBondContact O-N 3.38Å; K291-L294 PolarHBondContact O-N 2.96Å; K291-M295 VanDerWaalsContact O-CG 3.3Å; K291-M295 WeakPolarHBondContact O-CG 3.42Å; K291-M295 PolarHBondContact O-N 2.89Å; K291-L525 WeakPolarHBondContact CE-O 3.48Å; K291-L525 PolarHBondContact NZ-O 3.03Å; K291-L526 HydrophobicContact CD-CD2 4.31Å
292	A	81.4	Confident	75.4	Confident	52 Å²	52	51.3 Å²	51.3	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-38.7	179.6	0	0	0	0	0	113.5	K288 Y289 M295 K296	K288-A292 WeakPolarHBondContact O-CB 3.41Å; K288-A292 PolarHBondContact O-N 2.83Å; Y289-A292 PolarHBondContact O-N 3.27Å; A292-M295 PolarHBondContact O-N 2.97Å; A292-K296 WeakPolarHBondContact O-CB 3.03Å; A292-K296 PolarHBondContact O-N 2.97Å
293	I	83.3	Confident	74.3	Confident	22 Å²	22	56.3 Å²	56.3	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-44.6	177	-68.3	157.8	0	0	0	110.7	Y289 Y290 K291 M295 K296 I314 Q317 L318 C321 F328	Y289-I293 WeakPolarHBondContact O-CD1 3.44Å; Y289-I293 WeakPolarHBondContact O-CG1 3.45Å; Y289-I293 PolarHBondContact O-N 2.92Å; Y290-I293 PolarHBondContact O-N 3.22Å; K291-I293 PolarHBondContact O-N 3.38Å; I293-M295 VanDerWaalsContact C-N 3.35Å; I293-M295 PolarHBondContact O-N 2.92Å; I293-K296 PolarHBondContact O-N 2.95Å; I293-I314 HydrophobicContact CG2-CG2 4.46Å; I293-Q317 HydrophobicContact CD1-CB 4.23Å; I293-Q317 HydrophobicContact CG2-CB 3.93Å; I293-L318 HydrophobicContact CB-CD2 4.03Å; I293-L318 HydrophobicContact CG2-CD2 3.68Å; I293-L318 HydrophobicContact CG2-CG 4.06Å; I293-C321 HydrophobicContact CD1-CB 3.98Å; I293-F328 HydrophobicContact CD1-CE1 4.1Å; I293-F328 HydrophobicContact CD1-CE2 4.15Å; I293-F328 HydrophobicContact CD1-CZ 3.47Å; I293-F328 VanDerWaalsContact CD1-CZ 3.47Å
294	L	77.4	Confident	72.8	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-37.1	177	-70.4	175.2	0	0	0	112.7	Y290 K291 L318 L522	Y290-L294 HydrophobicContact CD1-CD1 3.87Å; Y290-L294 HydrophobicContact CE1-CD1 3.76Å; Y290-L294 WeakPolarHBondContact O-CG 3.07Å; Y290-L294 PolarHBondContact O-N 3.45Å; K291-L294 PolarHBondContact O-N 2.96Å; L294-L318 HydrophobicContact CD2-CD1 3.81Å; L294-L318 HydrophobicContact CD2-CD2 4.18Å; L294-L318 HydrophobicContact CG-CD2 4.08Å; L294-L522 HydrophobicContact CD1-CD1 3.76Å
295	M	71.6	Confident	71.2	Confident	72 Å²	72	67.8 Å²	67.8	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-33.1	176.8	-72.8	169	168.5	0	0	112.9	K291 A292 I293 D297 L595 Q599	K291-M295 VanDerWaalsContact O-CG 3.3Å; K291-M295 WeakPolarHBondContact O-CG 3.42Å; K291-M295 PolarHBondContact O-N 2.89Å; A292-M295 PolarHBondContact O-N 2.97Å; I293-M295 VanDerWaalsContact C-N 3.35Å; I293-M295 PolarHBondContact O-N 2.92Å; M295-D297 VanDerWaalsContact C-N 3.34Å; M295-D297 PolarHBondContact O-N 2.82Å; M295-L595 HydrophobicContact CE-CD1 4.38Å; M295-L595 HydrophobicContact CE-CD2 3.74Å; M295-Q599 VanDerWaalsContact O-CD 3.29Å; M295-Q599 PolarHBondContact O-NE2 2.82Å; M295-Q599 PolarHBondContact O-OE1 2.66Å
296	K	71.3	Confident	69.8	Low	169 Å²	169	67.5 Å²	67.5	74%	0.735	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-36.7	-172.2	-171.6	173.8	179.1	179.6	0	113.9	A292 I293	A292-K296 WeakPolarHBondContact O-CB 3.03Å; A292-K296 PolarHBondContact O-N 2.97Å; I293-K296 PolarHBondContact O-N 2.95Å
297	D	63.1	Low	68.7	Low	67 Å²	67	69.7 Å²	69.7	36%	0.358	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	40.3	-169.5	-72.9	-58.6	0	0	0	113.6	M295 D299 A300 I314	M295-D297 VanDerWaalsContact C-N 3.34Å; M295-D297 PolarHBondContact O-N 2.82Å; D297-D299 VanDerWaalsContact C-N 3.27Å; D297-D299 PolarHBondContact O-N 3.23Å; D297-A300 HydrophobicContact CB-CB 4.31Å; D297-A300 WeakPolarHBondContact O-CB 3.35Å; D297-A300 PolarHBondContact O-N 3.04Å; D297-I314 HydrophobicContact CB-CD1 3.73Å; D297-I314 HydrophobicContact CB-CG1 4.15Å
298	L	63.4	Low	67.8	Low	16 Å²	16	73.2 Å²	73.2	8%	0.084	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-55.7	-37.4	178	-71.5	-175.1	0	0	0	113.9	A300 F301 F592 V596 Q599	L298-A300 PolarHBondContact O-N 3.25Å; L298-A300 VanDerWaalsContact O-N 3.13Å; L298-F301 WeakPolarHBondContact O-CB 3.24Å; L298-F301 WeakPolarHBondContact O-CD2 3.17Å; L298-F301 PolarHBondContact O-N 3.16Å; L298-F592 HydrophobicContact CD2-CE2 4.31Å; L298-F592 HydrophobicContact CD2-CZ 4.28Å; L298-V596 HydrophobicContact CD1-CB 4.28Å; L298-V596 HydrophobicContact CD1-CG2 3.93Å; L298-V596 HydrophobicContact CD2-CG2 3.88Å; L298-V596 HydrophobicContact CG-CG2 4.43Å; L298-Q599 HydrophobicContact CD1-CB 3.76Å; L298-Q599 VanDerWaalsContact CD1-CD 3.44Å; L298-Q599 HydrophobicContact CD1-CG 4Å; L298-Q599 VanDerWaalsContact CD1-OE1 3.22Å
299	D	59.3	Low	67.2	Low	111 Å²	111	70.9 Å²	70.9	59%	0.594	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-62.4	-20.9	178.6	-59.9	-11.8	0	0	0	112.9	D297 F301 E302	D297-D299 VanDerWaalsContact C-N 3.27Å; D297-D299 PolarHBondContact O-N 3.23Å; D299-F301 PolarHBondContact O-N 3.22Å; D299-E302 PolarHBondContact O-N 3.26Å
300	A	58.1	Low	66.8	Low	4 Å²	4	72.4 Å²	72.4	3%	0.033	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-68.8	-19.8	175.3	0	0	0	0	0	112.7	D297 L298 K307 K310 I314	D297-A300 HydrophobicContact CB-CB 4.31Å; D297-A300 WeakPolarHBondContact O-CB 3.35Å; D297-A300 PolarHBondContact O-N 3.04Å; L298-A300 PolarHBondContact O-N 3.25Å; L298-A300 VanDerWaalsContact O-N 3.13Å; A300-K307 WeakPolarHBondContact O-CG 3.21Å; A300-K310 HydrophobicContact CB-CB 3.86Å; A300-K310 HydrophobicContact CB-CD 3.92Å; A300-I314 HydrophobicContact CB-CD1 4.01Å
301	F	59.7	Low	66.3	Low	26 Å²	26	72.2 Å²	72.2	11%	0.114	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-84.7	-16.1	177.7	-63.2	-90.8	0	0	0	113	L298 D299 K307 L311 I314 L518 F592	L298-F301 WeakPolarHBondContact O-CB 3.24Å; L298-F301 WeakPolarHBondContact O-CD2 3.17Å; L298-F301 PolarHBondContact O-N 3.16Å; D299-F301 PolarHBondContact O-N 3.22Å; F301-K307 WeakPolarHBondContact O-CE 3.49Å; F301-K307 PolarHBondContact O-NZ 2.96Å; F301-L311 HydrophobicContact CD1-CD2 4.02Å; F301-L311 HydrophobicContact CE1-CD2 3.88Å; F301-L311 HydrophobicContact CZ-CD2 4.3Å; F301-I314 HydrophobicContact CE2-CD1 4.29Å; F301-I314 HydrophobicContact CZ-CD1 4.47Å; F301-L518 HydrophobicContact CE1-CB 3.86Å; F301-L518 HydrophobicContact CE1-CD1 3.89Å; F301-L518 HydrophobicContact CZ-CB 4.25Å; F301-L518 HydrophobicContact CZ-CD1 4.18Å; F301-F592 HydrophobicContact CB-CZ 4.11Å; F301-F592 HydrophobicContact CD1-CE2 4.48Å; F301-F592 HydrophobicContact CD1-CZ 4.04Å; F301-F592 HydrophobicContact CD2-CE2 4.45Å; F301-F592 AromaticContact CD2-CZ 3.97Å; F301-F592 HydrophobicContact CD2-CZ 3.97Å; F301-F592 HydrophobicContact CE1-CE2 4.45Å; F301-F592 HydrophobicContact CE1-CZ 4.44Å; F301-F592 HydrophobicContact CE2-CE2 4.41Å; F301-F592 HydrophobicContact CE2-CZ 4.39Å; F301-F592 HydrophobicContact CG-CE2 4.47Å; F301-F592 AromaticContact CG-CZ 3.77Å; F301-F592 HydrophobicContact CG-CZ 3.77Å; F301-F592 HydrophobicContact CZ-CE2 4.41Å
302	E	59.2	Low	66	Low	109 Å²	109	74.6 Å²	74.6	51%	0.509	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-49.7	-177.7	-63.6	-171.9	172.1	0	0	112.6	D299 K307 K600	D299-E302 PolarHBondContact O-N 3.26Å; E302-K307 VanDerWaalsContact C-CE 3.45Å; E302-K307 VanDerWaalsContact O-CE 3.32Å; E302-K307 WeakPolarHBondContact O-CE 3.13Å; E302-K307 PolarHBondContact O-NZ 3.41Å; E302-K600 IonicContact OE1-NZ 3.8Å; E302-K600 PolarHBondContact OE1-NZ 3.27Å; E302-K600 IonicContact OE2-NZ 2.85Å
303	N	55.1	Low	66.1	Low	108 Å²	108	76.7 Å²	76.7	58%	0.578	39%	0.393	S	S	*	.			trans	-88.4	121.3	-167.7	-72.8	-53.4	0	0	0	117	K307	N303-K307 WeakPolarHBondContact O-CD 3.44Å; N303-K307 VanDerWaalsContact O-CE 3.26Å; N303-K307 WeakPolarHBondContact O-CE 3.47Å; N303-K307 WeakPolarHBondContact O-CG 3.28Å; N303-K307 PolarHBondContact O-N 3.28Å
304	E	55.3	Low	66	Low	167 Å²	167	75.8 Å²	75.8	78%	0.78	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-49.3	-165	-63.6	-139.6	129.7	0	0	118	K307	E304-K307 WeakPolarHBondContact O-CB 3.4Å
305	T	47.8	Very low	66.3	Low	146 Å²	146	75.7 Å²	75.7	90%	0.896	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.5	-170.7	44.5	0	0	0	0	114.3
306	A	53.9	Low	66.8	Low	54 Å²	54	74.8 Å²	74.8	45%	0.446	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	174.7	0	0	0	0	0	113.5	K308	A306-K308 PolarHBondContact O-N 2.99Å
307	K	64.5	Low	67.6	Low	45 Å²	45	70.2 Å²	70.2	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-55	-51.6	-178.5	-95.7	160.1	-156.6	170.1	0	112.8	A300 F301 E302 N303 E304 V309 K310 L311	A300-K307 WeakPolarHBondContact O-CG 3.21Å; F301-K307 WeakPolarHBondContact O-CE 3.49Å; F301-K307 PolarHBondContact O-NZ 2.96Å; E302-K307 VanDerWaalsContact C-CE 3.45Å; E302-K307 VanDerWaalsContact O-CE 3.32Å; E302-K307 WeakPolarHBondContact O-CE 3.13Å; E302-K307 PolarHBondContact O-NZ 3.41Å; N303-K307 WeakPolarHBondContact O-CD 3.44Å; N303-K307 VanDerWaalsContact O-CE 3.26Å; N303-K307 WeakPolarHBondContact O-CE 3.47Å; N303-K307 WeakPolarHBondContact O-CG 3.28Å; N303-K307 PolarHBondContact O-N 3.28Å; E304-K307 WeakPolarHBondContact O-CB 3.4Å; K307-V309 PolarHBondContact O-N 2.94Å; K307-K310 PolarHBondContact O-N 2.62Å; K307-K310 VanDerWaalsContact O-N 3.16Å; K307-L311 HydrophobicContact CB-CD1 3.82Å; K307-L311 HydrophobicContact CB-CG 4.31Å; K307-L311 HydrophobicContact CG-CD1 3.96Å; K307-L311 HydrophobicContact CG-CG 4.44Å; K307-L311 WeakPolarHBondContact O-CB 3.36Å; K307-L311 VanDerWaalsContact O-CG 3.26Å; K307-L311 WeakPolarHBondContact O-CG 3.34Å; K307-L311 PolarHBondContact O-N 3.12Å
308	K	65	Low	68.7	Low	86 Å²	86	67 Å²	67	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-57	-52.2	-161.5	-167.7	165.7	-164.7	129.8	0	114.5	A306 Q312 D511	A306-K308 PolarHBondContact O-N 2.99Å; K308-Q312 WeakPolarHBondContact O-CB 3.32Å; K308-Q312 VanDerWaalsContact O-CG 3.28Å; K308-Q312 WeakPolarHBondContact O-CG 3.41Å; K308-Q312 PolarHBondContact O-N 3.17Å; K308-D511 WeakPolarHBondContact CE-OD1 3.38Å; K308-D511 IonicContact NZ-OD1 3.5Å; K308-D511 PolarHBondContact NZ-OD1 3.26Å; K308-D511 IonicContact NZ-OD2 3.23Å; K308-D511 PolarHBondContact NZ-OD2 3.08Å
309	V	71.3	Confident	69.9	Low	97 Å²	97	67.3 Å²	67.3	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-68.9	-39.4	-179.5	-177.4	0	0	0	0	111	K307 Q312 N313	K307-V309 PolarHBondContact O-N 2.94Å; V309-Q312 PolarHBondContact O-N 3.21Å; V309-N313 WeakPolarHBondContact O-CB 3.33Å; V309-N313 VanDerWaalsContact O-CG 3.24Å; V309-N313 PolarHBondContact O-N 2.91Å
310	K	75.5	Confident	71.3	Confident	100 Å²	100	63.8 Å²	63.8	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-65.7	-46.9	177.5	-68.5	-170.4	174.8	-167.1	0	112.2	A300 K307 Q312 N313 I314	A300-K310 HydrophobicContact CB-CB 3.86Å; A300-K310 HydrophobicContact CB-CD 3.92Å; K307-K310 PolarHBondContact O-N 2.62Å; K307-K310 VanDerWaalsContact O-N 3.16Å; K310-Q312 VanDerWaalsContact C-N 3.35Å; K310-Q312 PolarHBondContact O-N 3.27Å; K310-N313 WeakPolarHBondContact O-CB 3.22Å; K310-N313 PolarHBondContact O-N 3.41Å; K310-N313 VanDerWaalsContact O-N 3.17Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.45Å; K310-I314 PolarHBondContact O-N 2.84Å
311	L	74.9	Confident	72.7	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-37.1	177.2	-63.7	175.6	0	0	0	111.8	F301 K307 I314 L315 L518	F301-L311 HydrophobicContact CD1-CD2 4.02Å; F301-L311 HydrophobicContact CE1-CD2 3.88Å; F301-L311 HydrophobicContact CZ-CD2 4.3Å; K307-L311 HydrophobicContact CB-CD1 3.82Å; K307-L311 HydrophobicContact CB-CG 4.31Å; K307-L311 HydrophobicContact CG-CD1 3.96Å; K307-L311 HydrophobicContact CG-CG 4.44Å; K307-L311 WeakPolarHBondContact O-CB 3.36Å; K307-L311 VanDerWaalsContact O-CG 3.26Å; K307-L311 WeakPolarHBondContact O-CG 3.34Å; K307-L311 PolarHBondContact O-N 3.12Å; L311-I314 HydrophobicContact CD2-CD1 4.37Å; L311-I314 PolarHBondContact O-N 2.9Å; L311-L315 WeakPolarHBondContact O-CB 2.95Å; L311-L315 PolarHBondContact O-N 3.29Å; L311-L518 HydrophobicContact CB-CD1 4.21Å; L311-L518 HydrophobicContact CD2-CD1 3.62Å; L311-L518 HydrophobicContact CG-CD1 4.42Å
312	Q	75.4	Confident	74	Confident	96 Å²	96	62.4 Å²	62.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-38.7	172	-76.9	179.3	-11.1	0	0	112.4	K308 V309 K310 S316	K308-Q312 WeakPolarHBondContact O-CB 3.32Å; K308-Q312 VanDerWaalsContact O-CG 3.28Å; K308-Q312 WeakPolarHBondContact O-CG 3.41Å; K308-Q312 PolarHBondContact O-N 3.17Å; V309-Q312 PolarHBondContact O-N 3.21Å; K310-Q312 VanDerWaalsContact C-N 3.35Å; K310-Q312 PolarHBondContact O-N 3.27Å; Q312-S316 WeakPolarHBondContact O-CB 3.49Å; Q312-S316 PolarHBondContact O-N 3.1Å
313	N	82.1	Confident	75.5	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-48.3	173.7	-72.7	-13.4	0	0	0	111.4	V309 K310 L315 S316 Q317	V309-N313 WeakPolarHBondContact O-CB 3.33Å; V309-N313 VanDerWaalsContact O-CG 3.24Å; V309-N313 PolarHBondContact O-N 2.91Å; K310-N313 WeakPolarHBondContact O-CB 3.22Å; K310-N313 PolarHBondContact O-N 3.41Å; K310-N313 VanDerWaalsContact O-N 3.17Å; N313-L315 VanDerWaalsContact C-N 3.33Å; N313-L315 PolarHBondContact O-N 2.84Å; N313-S316 WeakPolarHBondContact O-CB 3.17Å; N313-S316 PolarHBondContact O-N 3.08Å; N313-S316 VanDerWaalsContact O-N 3.09Å; N313-Q317 WeakPolarHBondContact O-CG 3.48Å; N313-Q317 PolarHBondContact O-N 3.49Å
314	I	82.5	Confident	77.1	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-48.9	175.5	-66.6	162.2	0	0	0	110.2	I293 D297 A300 F301 K310 L311 S316 Q317 L318 L518	I293-I314 HydrophobicContact CG2-CG2 4.46Å; D297-I314 HydrophobicContact CB-CD1 3.73Å; D297-I314 HydrophobicContact CB-CG1 4.15Å; A300-I314 HydrophobicContact CB-CD1 4.01Å; F301-I314 HydrophobicContact CE2-CD1 4.29Å; F301-I314 HydrophobicContact CZ-CD1 4.47Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.45Å; K310-I314 PolarHBondContact O-N 2.84Å; L311-I314 HydrophobicContact CD2-CD1 4.37Å; L311-I314 PolarHBondContact O-N 2.9Å; I314-S316 VanDerWaalsContact C-N 3.28Å; I314-S316 PolarHBondContact O-N 3.44Å; I314-Q317 PolarHBondContact O-N 3.08Å; I314-Q317 VanDerWaalsContact O-N 3.12Å; I314-L318 HydrophobicContact CG2-CD1 3.9Å; I314-L318 HydrophobicContact CG2-CG 4.25Å; I314-L318 WeakPolarHBondContact O-CG 3.36Å; I314-L318 PolarHBondContact O-N 2.87Å; I314-L518 HydrophobicContact CG2-CD2 4.03Å
315	L	82.4	Confident	78.7	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-40	176.2	177.4	59	0	0	0	112.8	L311 N313 R319 F443 V475 L514 I517	L311-L315 WeakPolarHBondContact O-CB 2.95Å; L311-L315 PolarHBondContact O-N 3.29Å; N313-L315 VanDerWaalsContact C-N 3.33Å; N313-L315 PolarHBondContact O-N 2.84Å; L315-R319 WeakPolarHBondContact O-CG 3.22Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 VanDerWaalsContact O-N 3.12Å; L315-F443 HydrophobicContact CD1-CZ 4.37Å; L315-F443 HydrophobicContact CD2-CE1 4.07Å; L315-F443 HydrophobicContact CD2-CZ 3.69Å; L315-F443 HydrophobicContact CG-CZ 4.1Å; L315-V475 HydrophobicContact CD1-CB 4.34Å; L315-V475 HydrophobicContact CD1-CG1 3.25Å; L315-L514 HydrophobicContact CD2-CD2 3.77Å; L315-I517 HydrophobicContact CD1-CG2 4.4Å
316	S	83.7	Confident	80.5	Confident	54 Å²	54	38.6 Å²	38.6	38%	0.378	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-44.5	174.5	-169.6	0	0	0	0	112.2	Q312 N313 I314 R319 K320	Q312-S316 WeakPolarHBondContact O-CB 3.49Å; Q312-S316 PolarHBondContact O-N 3.1Å; N313-S316 WeakPolarHBondContact O-CB 3.17Å; N313-S316 PolarHBondContact O-N 3.08Å; N313-S316 VanDerWaalsContact O-N 3.09Å; I314-S316 VanDerWaalsContact C-N 3.28Å; I314-S316 PolarHBondContact O-N 3.44Å; S316-R319 PolarHBondContact O-N 3.42Å; S316-K320 PolarHBondContact O-N 3.1Å
317	Q	86.4	Confident	82.1	Confident	73 Å²	73	36.4 Å²	36.4	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-66.6	-38.6	176.7	-56.9	-56.4	-8.2	0	0	112.2	I293 N313 I314 K320 C321 F328	I293-Q317 HydrophobicContact CD1-CB 4.23Å; I293-Q317 HydrophobicContact CG2-CB 3.93Å; N313-Q317 WeakPolarHBondContact O-CG 3.48Å; N313-Q317 PolarHBondContact O-N 3.49Å; I314-Q317 PolarHBondContact O-N 3.08Å; I314-Q317 VanDerWaalsContact O-N 3.12Å; Q317-K320 WeakPolarHBondContact O-CB 3.37Å; Q317-K320 PolarHBondContact O-N 2.84Å; Q317-C321 PolarHBondContact O-N 3.42Å; Q317-F328 HydrophobicContact CB-CE1 4.28Å; Q317-F328 HydrophobicContact CB-CZ 4.38Å; Q317-F328 WeakPolarHBondContact O-CZ 3.49Å; Q317-F328 VanDerWaalsContact OE1-CE1 3.28Å
318	L	86.8	Confident	83	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-40.3	176.4	-66.5	174	0	0	0	111.6	Y290 I293 L294 I314 C321 V322 V475 L518	Y290-L318 HydrophobicContact CD1-CD2 4.14Å; Y290-L318 HydrophobicContact CD2-CB 4.46Å; Y290-L318 HydrophobicContact CD2-CD2 3.67Å; Y290-L318 HydrophobicContact CE1-CD2 4.19Å; Y290-L318 HydrophobicContact CE2-CB 4.02Å; Y290-L318 HydrophobicContact CE2-CD2 3.74Å; Y290-L318 HydrophobicContact CE2-CG 4.34Å; Y290-L318 HydrophobicContact CG-CD2 3.91Å; I293-L318 HydrophobicContact CB-CD2 4.03Å; I293-L318 HydrophobicContact CG2-CD2 3.68Å; I293-L318 HydrophobicContact CG2-CG 4.06Å; L294-L318 HydrophobicContact CD2-CD1 3.81Å; L294-L318 HydrophobicContact CD2-CD2 4.18Å; L294-L318 HydrophobicContact CG-CD2 4.08Å; I314-L318 HydrophobicContact CG2-CD1 3.9Å; I314-L318 HydrophobicContact CG2-CG 4.25Å; I314-L318 WeakPolarHBondContact O-CG 3.36Å; I314-L318 PolarHBondContact O-N 2.87Å; L318-C321 WeakPolarHBondContact O-CB 3.22Å; L318-C321 PolarHBondContact O-N 3.49Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 2.76Å; L318-V322 VanDerWaalsContact O-N 3.1Å; L318-V475 HydrophobicContact CB-CG2 4.13Å; L318-V475 HydrophobicContact CD1-CG2 3.82Å; L318-L518 HydrophobicContact CD1-CD2 3.43Å; L318-L518 VanDerWaalsContact CD1-CD2 3.43Å
319	R	88.4	Confident	83.6	Confident	21 Å²	21	39.5 Å²	39.5	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-50.4	171	-76.1	179.1	65	135.1	3	111.8	L315 S316 C321 V322 D323 M372 D440 S441	L315-R319 WeakPolarHBondContact O-CG 3.22Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 VanDerWaalsContact O-N 3.12Å; S316-R319 PolarHBondContact O-N 3.42Å; R319-C321 PolarHBondContact O-N 3.46Å; R319-V322 PolarHBondContact O-N 3.46Å; R319-D323 PolarHBondContact O-N 3.19Å; R319-M372 HydrophobicContact CB-CE 3.66Å; R319-D440 IonicContact CZ-OD2 3.05Å; R319-D440 IonicContact NH2-OD2 2.91Å; R319-D440 PolarHBondContact NH2-OD2 3.05Å; R319-S441 PolarHBondContact NH1-O 2.97Å; R319-S441 PolarHBondContact NH2-O 3.01Å
320	K	88.8	Confident	83.5	Confident	38 Å²	38	38.9 Å²	38.9	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-52.5	-42.7	176	-75.3	-176.6	170.6	-144.5	0	112	S316 Q317 D323 H324 L327 F328 M372 Q374	S316-K320 PolarHBondContact O-N 3.1Å; Q317-K320 WeakPolarHBondContact O-CB 3.37Å; Q317-K320 PolarHBondContact O-N 2.84Å; K320-D323 PolarHBondContact O-N 2.91Å; K320-H324 CarbonylContact O-C 3.54Å; K320-H324 PolarHBondContact O-N 3.19Å; K320-H324 VanDerWaalsContact O-O 3.08Å; K320-L327 HydrophobicContact CB-CB 4.1Å; K320-L327 HydrophobicContact CB-CD1 4.17Å; K320-L327 HydrophobicContact CD-CB 4.37Å; K320-L327 HydrophobicContact CG-CB 4.28Å; K320-L327 HydrophobicContact CG-CD1 4.28Å; K320-F328 HydrophobicContact CB-CE2 4.27Å; K320-F328 HydrophobicContact CB-CZ 4Å; K320-M372 HydrophobicContact CG-CE 3.86Å; K320-M372 HydrophobicContact CG-SD 3.58Å; K320-M372 VanDerWaalsContact CG-SD 3.58Å; K320-Q374 VanDerWaalsContact NZ-OE1 3.08Å
321	C	88.3	Confident	83.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-39.1	178.2	-167.6	0	0	0	0	113.3	Q286 Y290 I293 Q317 L318 R319 F328	Q286-C321 WeakPolarHBondContact CG-O 3.47Å; Q286-C321 PolarHBondContact NE2-O 3.33Å; Q286-C321 PolarHBondContact O-SG 3.44Å; Y290-C321 HydrophobicContact CD2-CB 4.38Å; Y290-C321 PolarHBondContact N-SG 2.77Å; Y290-C321 VanDerWaalsContact N-SG 3.4Å; I293-C321 HydrophobicContact CD1-CB 3.98Å; Q317-C321 PolarHBondContact O-N 3.42Å; L318-C321 WeakPolarHBondContact O-CB 3.22Å; L318-C321 PolarHBondContact O-N 3.49Å; R319-C321 PolarHBondContact O-N 3.46Å; C321-F328 HydrophobicContact CB-CE2 3.88Å; C321-F328 HydrophobicContact CB-CZ 4.18Å
322	V	87.6	Confident	83.3	Confident	1 Å²	1	38 Å²	38	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-74.2	-32.3	177.5	-178.8	0	0	0	0	112	M282 Q286 Y290 L318 R319 T474 E476	M282-V322 HydrophobicContact CE-CG2 4.23Å; Q286-V322 PolarHBondContact NE2-O 2.94Å; Y290-V322 HydrophobicContact CD2-CG2 4.16Å; Y290-V322 HydrophobicContact CE2-CG2 3.87Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 2.76Å; L318-V322 VanDerWaalsContact O-N 3.1Å; R319-V322 PolarHBondContact O-N 3.46Å; V322-T474 HydrophobicContact CG1-CG2 4.22Å; V322-T474 HydrophobicContact CG2-CG2 3.81Å; V322-E476 HydrophobicContact CB-CG 4.35Å; V322-E476 HydrophobicContact CG1-CG 3.95Å; V322-E476 VanDerWaalsContact CG1-OE2 3.25Å; V322-E476 WeakPolarHBondContact CG1-OE2 3.38Å
323	D	89.6	Confident	82.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-67.7	172.7	-72.5	-38.9	0	0	0	111.8	R319 K320 L327 S346 K348 M372 M375	R319-D323 PolarHBondContact O-N 3.19Å; K320-D323 PolarHBondContact O-N 2.91Å; D323-L327 HydrophobicContact CB-CD1 3.77Å; D323-S346 PolarHBondContact O-OG 3.37Å; D323-K348 IonicContact OD1-NZ 3.41Å; D323-K348 PolarHBondContact OD1-NZ 2.8Å; D323-M372 VanDerWaalsContact OD2-CE 3.28Å; D323-M372 WeakPolarHBondContact OD2-CE 3.38Å; D323-M375 HydrophobicContact CB-SD 4.23Å
324	H	90.1	Very high	81.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.			trans	-159.2	131	-179.4	-157.4	-88.8	0	0	0	113.9	K320 Y326 L327 L342 S346 L349 M375 I378	K320-H324 CarbonylContact O-C 3.54Å; K320-H324 PolarHBondContact O-N 3.19Å; K320-H324 VanDerWaalsContact O-O 3.08Å; H324-Y326 VanDerWaalsContact C-N 3.27Å; H324-Y326 AromaticContact CE1-CD1 3.99Å; H324-Y326 AromaticContact CE1-CD2 3.4Å; H324-Y326 WeakPolarHBondContact CE1-CD2 3.49Å; H324-Y326 AromaticContact CE1-CE2 3.84Å; H324-Y326 AromaticContact CE1-CG 3.45Å; H324-Y326 VanDerWaalsContact CE1-CG 3.45Å; H324-Y326 WeakPolarHBondContact ND1-CB 3.35Å; H324-Y326 AromaticContact ND1-CD2 3.91Å; H324-Y326 AromaticContact ND1-CG 3.59Å; H324-Y326 PolarHBondContact ND1-N 3.15Å; H324-Y326 PolarHBondContact O-N 2.97Å; H324-L327 HydrophobicContact CB-CD1 4.2Å; H324-L327 HydrophobicContact CB-CG 4.13Å; H324-L327 VanDerWaalsContact O-CB 3.3Å; H324-L327 WeakPolarHBondContact O-CB 3.48Å; H324-L327 WeakPolarHBondContact O-CG 3.37Å; H324-L327 PolarHBondContact O-N 3.08Å; H324-L327 VanDerWaalsContact O-N 3.08Å; H324-L342 PolarHBondContact NE2-O 3.18Å; H324-L342 VanDerWaalsContact NE2-O 3.14Å; H324-S346 WeakPolarHBondContact CD2-CB 3.31Å; H324-L349 WeakPolarHBondContact CD2-CD1 3.35Å; H324-M375 HydrophobicContact CB-CE 4.32Å; H324-M375 HydrophobicContact CB-SD 3.73Å; H324-I378 HydrophobicContact CB-CD1 3.94Å
325	P	87.3	Confident	80.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.5	176.4	-29.6	37.9	0	0	0	115.4	L285 Q286 L327 F328 V331 A345	L285-P325 HydrophobicContact CD2-CB 3.69Å; L285-P325 HydrophobicContact CD2-CG 3.92Å; L285-P325 HydrophobicContact CG-CB 4.21Å; L285-P325 HydrophobicContact CG-CG 4.26Å; Q286-P325 HydrophobicContact CG-CG 3.5Å; Q286-P325 VanDerWaalsContact CG-CG 3.5Å; P325-L327 PolarHBondContact O-N 2.92Å; P325-L327 VanDerWaalsContact O-N 3.16Å; P325-F328 WeakPolarHBondContact O-CD2 3.37Å; P325-F328 PolarHBondContact O-N 3.49Å; P325-F328 VanDerWaalsContact O-N 3.14Å; P325-V331 HydrophobicContact CB-CG1 3.9Å; P325-A345 WeakPolarHBondContact CG-O 3.48Å
326	Y	87	Confident	79.6	Confident	29 Å²	29	49.4 Å²	49.4	11%	0.114	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-74.2	2.1	179.5	-51.7	-14.6	0	0	0	113.5	H324 F328 V331 E332 H341 L342 A345	H324-Y326 VanDerWaalsContact C-N 3.27Å; H324-Y326 AromaticContact CE1-CD1 3.99Å; H324-Y326 AromaticContact CE1-CD2 3.4Å; H324-Y326 WeakPolarHBondContact CE1-CD2 3.49Å; H324-Y326 AromaticContact CE1-CE2 3.84Å; H324-Y326 AromaticContact CE1-CG 3.45Å; H324-Y326 VanDerWaalsContact CE1-CG 3.45Å; H324-Y326 WeakPolarHBondContact ND1-CB 3.35Å; H324-Y326 AromaticContact ND1-CD2 3.91Å; H324-Y326 AromaticContact ND1-CG 3.59Å; H324-Y326 PolarHBondContact ND1-N 3.15Å; H324-Y326 PolarHBondContact O-N 2.97Å; Y326-F328 PolarHBondContact O-N 3.12Å; Y326-V331 HydrophobicContact CD1-CG1 4.29Å; Y326-E332 HydrophobicContact CD1-CB 3.87Å; Y326-E332 HydrophobicContact CD1-CG 4.33Å; Y326-E332 HydrophobicContact CD2-CB 4.01Å; Y326-E332 HydrophobicContact CD2-CG 3.63Å; Y326-E332 HydrophobicContact CE1-CB 4.29Å; Y326-E332 HydrophobicContact CE2-CB 4.42Å; Y326-E332 HydrophobicContact CE2-CG 3.83Å; Y326-E332 HydrophobicContact CG-CB 3.76Å; Y326-E332 HydrophobicContact CG-CG 3.94Å; Y326-H341 AromaticContact CE2-CD2 3.99Å; Y326-H341 AromaticContact CE2-NE2 3.85Å; Y326-H341 AromaticContact CZ-CD2 3.91Å; Y326-H341 PolarHBondContact OH-CD2 3.26Å; Y326-H341 PolarHBondContact OH-O 2.73Å; Y326-L342 HydrophobicContact CD2-CD1 3.66Å; Y326-L342 HydrophobicContact CE2-CD1 3.71Å; Y326-A345 HydrophobicContact CE1-CB 3.97Å
327	L	86.5	Confident	78.8	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.042	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-73.1	-3.5	164.3	-64.4	172.8	0	0	0	113.2	K320 D323 H324 P325 M372 Q374 M375 I378	K320-L327 HydrophobicContact CB-CB 4.1Å; K320-L327 HydrophobicContact CB-CD1 4.17Å; K320-L327 HydrophobicContact CD-CB 4.37Å; K320-L327 HydrophobicContact CG-CB 4.28Å; K320-L327 HydrophobicContact CG-CD1 4.28Å; D323-L327 HydrophobicContact CB-CD1 3.77Å; H324-L327 HydrophobicContact CB-CD1 4.2Å; H324-L327 HydrophobicContact CB-CG 4.13Å; H324-L327 VanDerWaalsContact O-CB 3.3Å; H324-L327 WeakPolarHBondContact O-CB 3.48Å; H324-L327 WeakPolarHBondContact O-CG 3.37Å; H324-L327 PolarHBondContact O-N 3.08Å; H324-L327 VanDerWaalsContact O-N 3.08Å; P325-L327 PolarHBondContact O-N 2.92Å; P325-L327 VanDerWaalsContact O-N 3.16Å; L327-M372 HydrophobicContact CD1-SD 4.18Å; L327-Q374 HydrophobicContact CD2-CB 3.37Å; L327-M375 HydrophobicContact CD1-SD 4.46Å; L327-I378 HydrophobicContact CD2-CD1 3.66Å; L327-I378 HydrophobicContact CG-CD1 3.9Å
328	F	84.4	Confident	78	Confident	34 Å²	34	53.9 Å²	53.9	15%	0.149	30%	0.295	C	S	.	.	S	Bend	trans	-107.9	132.6	170.6	-62.5	-76.1	0	0	0	110.6	I293 Q317 K320 C321 P325 Y326 V331	I293-F328 HydrophobicContact CD1-CE1 4.1Å; I293-F328 HydrophobicContact CD1-CE2 4.15Å; I293-F328 HydrophobicContact CD1-CZ 3.47Å; I293-F328 VanDerWaalsContact CD1-CZ 3.47Å; Q317-F328 HydrophobicContact CB-CE1 4.28Å; Q317-F328 HydrophobicContact CB-CZ 4.38Å; Q317-F328 WeakPolarHBondContact O-CZ 3.49Å; Q317-F328 VanDerWaalsContact OE1-CE1 3.28Å; K320-F328 HydrophobicContact CB-CE2 4.27Å; K320-F328 HydrophobicContact CB-CZ 4Å; C321-F328 HydrophobicContact CB-CE2 3.88Å; C321-F328 HydrophobicContact CB-CZ 4.18Å; P325-F328 WeakPolarHBondContact O-CD2 3.37Å; P325-F328 PolarHBondContact O-N 3.49Å; P325-F328 VanDerWaalsContact O-N 3.14Å; Y326-F328 PolarHBondContact O-N 3.12Å; F328-V331 HydrophobicContact CB-CB 4.47Å; F328-V331 HydrophobicContact CB-CG2 3.55Å; F328-V331 WeakPolarHBondContact O-CG2 3.29Å; F328-V331 PolarHBondContact O-N 3.26Å
329	D	76.3	Confident	77.3	Confident	163 Å²	163	54.6 Å²	54.6	87%	0.872	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	136.2	178.7	-51.9	-60.8	0	0	0	111.2
330	G	70.4	Confident	76.8	Confident	83 Å²	83	57.3 Å²	57.3	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	13.3	178.1	0	0	0	0	0	116
331	V	73.2	Confident	76.4	Confident	21 Å²	21	57.8 Å²	57.8	13%	0.127	32%	0.321	C	S	.	.			trans	-97.4	-28.5	175.8	-175	0	0	0	0	112.8	L285 Y289 P325 Y326 F328	L285-V331 HydrophobicContact CD2-CG1 4.15Å; Y289-V331 HydrophobicContact CD1-CG2 4.45Å; Y289-V331 HydrophobicContact CD2-CG1 4.43Å; Y289-V331 HydrophobicContact CE1-CG1 4.46Å; Y289-V331 HydrophobicContact CE1-CG2 3.55Å; Y289-V331 HydrophobicContact CE2-CG1 3.67Å; Y289-V331 HydrophobicContact CE2-CG2 4.26Å; Y289-V331 VanDerWaalsContact CZ-CG2 3.46Å; Y289-V331 WeakPolarHBondContact OH-CG2 3.41Å; P325-V331 HydrophobicContact CB-CG1 3.9Å; Y326-V331 HydrophobicContact CD1-CG1 4.29Å; F328-V331 HydrophobicContact CB-CB 4.47Å; F328-V331 HydrophobicContact CB-CG2 3.55Å; F328-V331 WeakPolarHBondContact O-CG2 3.29Å; F328-V331 PolarHBondContact O-N 3.26Å
332	E	73.1	Confident	76.1	Confident	67 Å²	67	58.3 Å²	58.3	31%	0.313	32%	0.324	S	S	.	.	S	Bend	trans	-70.6	131.3	173.5	-168.9	177.4	169.6	0	0	109.8	Y326 F336	Y326-E332 HydrophobicContact CD1-CB 3.87Å; Y326-E332 HydrophobicContact CD1-CG 4.33Å; Y326-E332 HydrophobicContact CD2-CB 4.01Å; Y326-E332 HydrophobicContact CD2-CG 3.63Å; Y326-E332 HydrophobicContact CE1-CB 4.29Å; Y326-E332 HydrophobicContact CE2-CB 4.42Å; Y326-E332 HydrophobicContact CE2-CG 3.83Å; Y326-E332 HydrophobicContact CG-CB 3.76Å; Y326-E332 HydrophobicContact CG-CG 3.94Å; E332-F336 HydrophobicContact CB-CD1 4.22Å; E332-F336 HydrophobicContact CB-CE1 4.08Å; E332-F336 VanDerWaalsContact CD-CD1 3.47Å; E332-F336 HydrophobicContact CG-CD1 3.74Å; E332-F336 HydrophobicContact CG-CE1 4.13Å
333	P	63.8	Low	75.8	Confident	65 Å²	65	58.8 Å²	58.8	42%	0.422	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-71.2	133.6	-176.5	28.8	-33.5	0	0	0	111.1	P335	P333-P335 CarbonylContact O-C 3.56Å; P333-P335 VanDerWaalsContact O-C 3.25Å
334	E	51.5	Low	75.5	Confident	161 Å²	161	65.2 Å²	65.2	75%	0.752	36%	0.357	S	S	*	.	S	Bend	trans	-82.4	134.2	170.2	-63.4	-172.8	164.8	0	0	110.2	F336	E334-F336 HydrophobicContact CG-CE1 4.13Å; E334-F336 HydrophobicContact CG-CE2 4.19Å; E334-F336 HydrophobicContact CG-CZ 3.76Å
335	P	63.4	Low	75.2	Confident	90 Å²	90	65.6 Å²	65.6	58%	0.584	36%	0.359	S	S	*	.	S	Bend	cis	-77.1	148.2	1.8	33	-36.1	0	0	0	113.7	P333 E337	P333-P335 CarbonylContact O-C 3.56Å; P333-P335 VanDerWaalsContact O-C 3.25Å; P335-E337 HydrophobicContact CB-CG 4.25Å; P335-E337 HydrophobicContact CG-CG 4Å; P335-E337 PolarHBondContact O-N 3.27Å
336	F	65	Low	75.2	Confident	130 Å²	130	65.6 Å²	65.6	57%	0.57	36%	0.359	S	S	*	.			trans	-67.3	71.6	175.9	-51.8	-64.7	0	0	0	112	E332 E334	E332-F336 HydrophobicContact CB-CD1 4.22Å; E332-F336 HydrophobicContact CB-CE1 4.08Å; E332-F336 VanDerWaalsContact CD-CD1 3.47Å; E332-F336 HydrophobicContact CG-CD1 3.74Å; E332-F336 HydrophobicContact CG-CE1 4.13Å; E334-F336 HydrophobicContact CG-CE1 4.13Å; E334-F336 HydrophobicContact CG-CE2 4.19Å; E334-F336 HydrophobicContact CG-CZ 3.76Å
337	E	67.4	Low	75.1	Confident	140 Å²	140	64.2 Å²	64.2	65%	0.654	36%	0.355	S	S	*	.			trans	-101.9	125.2	178.6	-70.5	-175.7	-176.6	0	0	110.7	P335 G339 H341	P335-E337 HydrophobicContact CB-CG 4.25Å; P335-E337 HydrophobicContact CG-CG 4Å; P335-E337 PolarHBondContact O-N 3.27Å; E337-G339 PolarHBondContact O-N 3.07Å; E337-H341 PolarHBondContact O-CE1 2.86Å
338	V	69.4	Low	75.2	Confident	81 Å²	81	63.9 Å²	63.9	49%	0.491	35%	0.353	S	S	.	.			trans	-70.3	124.3	-179.6	-165.6	0	0	0	0	110.4	Y385	V338-Y385 HydrophobicContact CG1-CD2 3.99Å; V338-Y385 HydrophobicContact CG1-CG 3.98Å
339	G	72.1	Confident	75.4	Confident	14 Å²	14	62.3 Å²	62.3	14%	0.144	35%	0.346	C	S	.	.	S	Bend	trans	-172.4	179.2	-173.3	0	0	0	0	0	113.4	E337 H341 L342	E337-G339 PolarHBondContact O-N 3.07Å; G339-H341 PolarHBondContact O-N 3.19Å; G339-H341 PolarHBondContact O-ND1 3.3Å; G339-L342 WeakPolarHBondContact O-CB 3.27Å; G339-L342 PolarHBondContact O-N 3.41Å
340	D	78.5	Confident	76	Confident	79 Å²	79	57.7 Å²	57.7	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.6	-172.7	-65	-57.2	0	0	0	114.8	L342 T343 E344 Y385 R386	D340-L342 PolarHBondContact O-N 3.18Å; D340-T343 WeakPolarHBondContact O-CA 3.06Å; D340-T343 PolarHBondContact O-N 3.05Å; D340-T343 PolarHBondContact O-OG1 3.21Å; D340-E344 PolarHBondContact O-N 3.23Å; D340-Y385 PolarHBondContact N-OH 2.82Å; D340-Y385 PolarHBondContact OD1-OH 3.46Å; D340-Y385 PolarHBondContact OD2-OH 3.17Å; D340-R386 IonicContact OD1-NH1 3.51Å; D340-R386 PolarHBondContact OD1-NH1 3.27Å
341	H	79.4	Confident	76.7	Confident	48 Å²	48	54.2 Å²	54.2	22%	0.222	28%	0.281	C	S	.	.	H	α-helix	trans	-49.3	-30.9	173.8	77	-47.6	0	0	0	114.1	Y326 E337 G339 E344 A345	Y326-H341 AromaticContact CE2-CD2 3.99Å; Y326-H341 AromaticContact CE2-NE2 3.85Å; Y326-H341 AromaticContact CZ-CD2 3.91Å; Y326-H341 PolarHBondContact OH-CD2 3.26Å; Y326-H341 PolarHBondContact OH-O 2.73Å; E337-H341 PolarHBondContact O-CE1 2.86Å; G339-H341 PolarHBondContact O-N 3.19Å; G339-H341 PolarHBondContact O-ND1 3.3Å; H341-E344 PolarHBondContact O-N 3.32Å; H341-A345 WeakPolarHBondContact O-CB 3.19Å; H341-A345 PolarHBondContact O-N 3.45Å
342	L	81.1	Confident	77.6	Confident	10 Å²	10	53.3 Å²	53.3	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-41.8	175.9	-171.7	66.4	0	0	0	111.2	H324 Y326 G339 D340 L349 I378	H324-L342 PolarHBondContact NE2-O 3.18Å; H324-L342 VanDerWaalsContact NE2-O 3.14Å; Y326-L342 HydrophobicContact CD2-CD1 3.66Å; Y326-L342 HydrophobicContact CE2-CD1 3.71Å; G339-L342 WeakPolarHBondContact O-CB 3.27Å; G339-L342 PolarHBondContact O-N 3.41Å; D340-L342 PolarHBondContact O-N 3.18Å; L342-L349 HydrophobicContact CD1-CD1 4.43Å; L342-L349 HydrophobicContact CG-CD1 4.01Å; L342-I378 HydrophobicContact CD1-CG2 4.01Å
343	T	82.9	Confident	78.4	Confident	11 Å²	11	51.4 Å²	51.4	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-75.1	-35.6	176.8	63.8	0	0	0	0	112.3	D340 S346 D353 Y382	D340-T343 WeakPolarHBondContact O-CA 3.06Å; D340-T343 PolarHBondContact O-N 3.05Å; D340-T343 PolarHBondContact O-OG1 3.21Å; T343-S346 VanDerWaalsContact O-O 3.13Å; T343-D353 HydrophobicContact CG2-CB 4.49Å; T343-Y382 HydrophobicContact CG2-CD2 3.95Å; T343-Y382 HydrophobicContact CG2-CE2 3.98Å
344	E	83.3	Confident	79.5	Confident	136 Å²	136	52.6 Å²	52.6	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-73	-29.2	178.4	-64.6	-176.5	166.9	0	0	113	D340 H341 S346	D340-E344 PolarHBondContact O-N 3.23Å; H341-E344 PolarHBondContact O-N 3.32Å; E344-S346 PolarHBondContact O-N 3.46Å
345	A	83.5	Confident	81.3	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-33.8	-178.9	0	0	0	0	0	113.1	S283 L285 P325 Y326 H341	S283-A345 WeakPolarHBondContact CB-O 3.44Å; S283-A345 PolarHBondContact OG-O 2.89Å; L285-A345 HydrophobicContact CD2-CB 4.33Å; P325-A345 WeakPolarHBondContact CG-O 3.48Å; Y326-A345 HydrophobicContact CE1-CB 3.97Å; H341-A345 WeakPolarHBondContact O-CB 3.19Å; H341-A345 PolarHBondContact O-N 3.45Å
346	S	87	Confident	82.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.			trans	-123.9	125.8	179.6	178.4	0	0	0	0	113.1	Q286 D323 H324 T343 E344 K348 L349 Q350	Q286-S346 PolarHBondContact NE2-OG 2.77Å; D323-S346 PolarHBondContact O-OG 3.37Å; H324-S346 WeakPolarHBondContact CD2-CB 3.31Å; T343-S346 VanDerWaalsContact O-O 3.13Å; E344-S346 PolarHBondContact O-N 3.46Å; S346-K348 PolarHBondContact O-N 2.66Å; S346-K348 VanDerWaalsContact O-N 3.17Å; S346-K348 PolarHBondContact OG-N 3.06Å; S346-K348 VanDerWaalsContact OG-N 3.15Å; S346-L349 PolarHBondContact O-N 3.04Å; S346-L349 VanDerWaalsContact O-N 3.14Å; S346-Q350 PolarHBondContact O-N 2.81Å
347	G	84.7	Confident	83.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-24.7	171.8	0	0	0	0	0	114.1	L351	G347-L351 PolarHBondContact O-N 2.9Å
348	K	88.8	Confident	84.7	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-73.6	-41.9	176.2	-165.1	175.9	-70.2	-167.6	0	111.3	H280 D323 S346 L352 V439 L469 E476	H280-K348 WeakPolarHBondContact NE2-CE 3.3Å; D323-K348 IonicContact OD1-NZ 3.41Å; D323-K348 PolarHBondContact OD1-NZ 2.8Å; S346-K348 PolarHBondContact O-N 2.66Å; S346-K348 VanDerWaalsContact O-N 3.17Å; S346-K348 PolarHBondContact OG-N 3.06Å; S346-K348 VanDerWaalsContact OG-N 3.15Å; K348-L352 VanDerWaalsContact O-CB 3.32Å; K348-L352 WeakPolarHBondContact O-CB 3.47Å; K348-L352 PolarHBondContact O-N 2.88Å; K348-V439 HydrophobicContact CD-CG1 3.64Å; K348-V439 WeakPolarHBondContact CD-O 3.19Å; K348-V439 WeakPolarHBondContact CE-O 3.39Å; K348-V439 HydrophobicContact CG-CG1 4.46Å; K348-V439 PolarHBondContact NZ-O 2.9Å; K348-L469 HydrophobicContact CG-CB 4.38Å; K348-L469 HydrophobicContact CG-CD1 4.05Å; K348-E476 VanDerWaalsContact NZ-CD 3.25Å; K348-E476 IonicContact NZ-OE1 3.35Å; K348-E476 PolarHBondContact NZ-OE1 3.25Å; K348-E476 IonicContact NZ-OE2 2.79Å; K348-E476 PolarHBondContact NZ-OE2 2.91Å
349	L	89.5	Confident	85.6	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-38.7	174.1	-74.7	-171.8	0	0	0	112.3	H324 L342 S346 L351 L352 D353 M375 I378 L379	H324-L349 WeakPolarHBondContact CD2-CD1 3.35Å; L342-L349 HydrophobicContact CD1-CD1 4.43Å; L342-L349 HydrophobicContact CG-CD1 4.01Å; S346-L349 PolarHBondContact O-N 3.04Å; S346-L349 VanDerWaalsContact O-N 3.14Å; L349-L351 VanDerWaalsContact C-N 3.33Å; L349-L351 PolarHBondContact O-N 2.85Å; L349-L352 HydrophobicContact CD2-CD2 4.12Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.21Å; L349-L352 VanDerWaalsContact O-N 3.15Å; L349-D353 WeakPolarHBondContact O-CB 3.45Å; L349-D353 PolarHBondContact O-N 3.12Å; L349-M375 HydrophobicContact CD2-CE 3.71Å; L349-M375 HydrophobicContact CG-CE 4.08Å; L349-I378 HydrophobicContact CD1-CG2 3.91Å; L349-L379 HydrophobicContact CD2-CD2 3.61Å
350	Q	87.1	Confident	86.4	Confident	66 Å²	66	33.2 Å²	33.2	31%	0.308	16%	0.162	S	C	.	.	H	α-helix	trans	-61.8	-39.4	176.8	-165.1	176.9	12.2	0	0	112.6	S346 K354 M533	S346-Q350 PolarHBondContact O-N 2.81Å; Q350-K354 PolarHBondContact O-N 2.74Å; Q350-M533 PolarHBondContact OE1-SD 2.85Å
351	L	86.8	Confident	86.8	Confident	9 Å²	9	34.1 Å²	34.1	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-44.2	171.4	173	59.5	0	0	0	111.4	I278 H280 G347 L349 D353 K354 L355 L469 I536 L538	I278-L351 HydrophobicContact CB-CD2 4.24Å; I278-L351 HydrophobicContact CG2-CD1 4.16Å; I278-L351 HydrophobicContact CG2-CD2 3.57Å; I278-L351 HydrophobicContact CG2-CG 4.48Å; H280-L351 HydrophobicContact CB-CB 4.46Å; H280-L351 HydrophobicContact CB-CD2 3.79Å; G347-L351 PolarHBondContact O-N 2.9Å; L349-L351 VanDerWaalsContact C-N 3.33Å; L349-L351 PolarHBondContact O-N 2.85Å; L351-D353 VanDerWaalsContact C-N 3.28Å; L351-D353 PolarHBondContact O-N 2.68Å; L351-K354 PolarHBondContact O-N 3.21Å; L351-L355 VanDerWaalsContact O-CB 3.3Å; L351-L355 WeakPolarHBondContact O-CB 3.27Å; L351-L355 PolarHBondContact O-N 3.14Å; L351-L469 HydrophobicContact CD2-CD2 3.87Å; L351-L469 HydrophobicContact CG-CD2 4.45Å; L351-I536 HydrophobicContact CD1-CD1 3.91Å; L351-L538 HydrophobicContact CD1-CD2 4.41Å
352	L	90.6	Very high	86.9	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-34.1	179.9	-175.2	63.6	0	0	0	112.3	K348 L349 L355 L356 L368 L379 I437 L469	K348-L352 VanDerWaalsContact O-CB 3.32Å; K348-L352 WeakPolarHBondContact O-CB 3.47Å; K348-L352 PolarHBondContact O-N 2.88Å; L349-L352 HydrophobicContact CD2-CD2 4.12Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.21Å; L349-L352 VanDerWaalsContact O-N 3.15Å; L352-L355 PolarHBondContact O-N 2.89Å; L352-L356 HydrophobicContact CD1-CD1 3.93Å; L352-L356 HydrophobicContact CD1-CD2 4.43Å; L352-L356 HydrophobicContact CD1-CG 3.86Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.7Å; L352-L356 HydrophobicContact CG-CG 4.09Å; L352-L356 VanDerWaalsContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CB 3.48Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.33Å; L352-L356 PolarHBondContact O-N 2.86Å; L352-L368 HydrophobicContact CD1-CD2 4Å; L352-L368 HydrophobicContact CD2-CD2 4.32Å; L352-L379 HydrophobicContact CD2-CD2 3.41Å; L352-L379 VanDerWaalsContact CD2-CD2 3.41Å; L352-I437 HydrophobicContact CD1-CD1 4.06Å; L352-I437 HydrophobicContact CD1-CG2 4.39Å; L352-L469 HydrophobicContact CD1-CD1 4.41Å
353	D	90.3	Very high	87.1	Confident	27 Å²	27	34.6 Å²	34.6	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-51.9	176.4	-178.5	61.5	0	0	0	111.8	T343 L349 L351 L355 L356 A357 Y382 R386	T343-D353 HydrophobicContact CG2-CB 4.49Å; L349-D353 WeakPolarHBondContact O-CB 3.45Å; L349-D353 PolarHBondContact O-N 3.12Å; L351-D353 VanDerWaalsContact C-N 3.28Å; L351-D353 PolarHBondContact O-N 2.68Å; D353-L355 VanDerWaalsContact C-N 3.33Å; D353-L355 PolarHBondContact O-N 3.15Å; D353-L356 PolarHBondContact O-N 2.88Å; D353-A357 WeakPolarHBondContact O-CB 3.29Å; D353-A357 PolarHBondContact O-N 3.41Å; D353-Y382 WeakPolarHBondContact CA-OH 3.39Å; D353-Y382 HydrophobicContact CB-CE2 4.11Å; D353-Y382 PolarHBondContact OD1-OH 3.29Å; D353-Y382 VanDerWaalsContact OD1-OH 3.08Å; D353-R386 IonicContact OD1-CZ 2.73Å; D353-R386 VanDerWaalsContact OD1-CZ 3.31Å; D353-R386 IonicContact OD1-NE 3.3Å; D353-R386 PolarHBondContact OD1-NE 2.87Å; D353-R386 IonicContact OD1-NH2 3.81Å; D353-R386 PolarHBondContact OD1-NH2 3.44Å; D353-R386 IonicContact OD2-CZ 3.71Å; D353-R386 IonicContact OD2-NH2 3.45Å; D353-R386 PolarHBondContact OD2-NH2 3.11Å
354	K	87.8	Confident	87.4	Confident	90 Å²	90	34.2 Å²	34.2	39%	0.391	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-43.1	173.8	-64.7	-175.9	179	-174.2	0	111.8	Q350 L351 F358 L538	Q350-K354 PolarHBondContact O-N 2.74Å; L351-K354 PolarHBondContact O-N 3.21Å; K354-F358 PolarHBondContact O-N 2.83Å; K354-F358 VanDerWaalsContact O-N 3.16Å; K354-L538 HydrophobicContact CB-CD1 3.9Å
355	L	88.4	Confident	87.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-44.7	-179.4	178.2	64.3	0	0	0	112.2	L351 L352 D353 F358 L359 I437 I467 L469 L538 L542	L351-L355 VanDerWaalsContact O-CB 3.3Å; L351-L355 WeakPolarHBondContact O-CB 3.27Å; L351-L355 PolarHBondContact O-N 3.14Å; L352-L355 PolarHBondContact O-N 2.89Å; D353-L355 VanDerWaalsContact C-N 3.33Å; D353-L355 PolarHBondContact O-N 3.15Å; L355-F358 PolarHBondContact O-N 3.2Å; L355-L359 HydrophobicContact CD1-CD1 4.08Å; L355-L359 HydrophobicContact CD1-CG 4.36Å; L355-L359 HydrophobicContact CG-CD1 3.96Å; L355-L359 VanDerWaalsContact O-CG 3.25Å; L355-L359 WeakPolarHBondContact O-CG 3.34Å; L355-L359 PolarHBondContact O-N 3.04Å; L355-I437 HydrophobicContact CD2-CD1 3.71Å; L355-I437 HydrophobicContact CD2-CG1 4.42Å; L355-I437 HydrophobicContact CG-CD1 4.29Å; L355-I467 HydrophobicContact CD1-CD1 3.98Å; L355-I467 HydrophobicContact CD2-CD1 4.18Å; L355-I467 HydrophobicContact CD2-CG2 4.19Å; L355-L469 HydrophobicContact CD2-CD2 4.38Å; L355-L538 HydrophobicContact CD1-CD2 4.39Å; L355-L542 HydrophobicContact CD1-CD1 3.6Å
356	L	90.6	Very high	88.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-36.6	178.4	-72.8	172.8	0	0	0	111.9	L352 D353 F358 L359 Y360 V366 L368 Y382 M383 Y388 F415 V416 I437	L352-L356 HydrophobicContact CD1-CD1 3.93Å; L352-L356 HydrophobicContact CD1-CD2 4.43Å; L352-L356 HydrophobicContact CD1-CG 3.86Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.7Å; L352-L356 HydrophobicContact CG-CG 4.09Å; L352-L356 VanDerWaalsContact O-CB 3.3Å; L352-L356 WeakPolarHBondContact O-CB 3.48Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.33Å; L352-L356 PolarHBondContact O-N 2.86Å; D353-L356 PolarHBondContact O-N 2.88Å; L356-F358 VanDerWaalsContact C-N 3.33Å; L356-F358 PolarHBondContact O-N 3.16Å; L356-L359 PolarHBondContact O-N 2.76Å; L356-Y360 VanDerWaalsContact O-CB 3.23Å; L356-Y360 WeakPolarHBondContact O-CB 3.38Å; L356-Y360 PolarHBondContact O-N 3.23Å; L356-V366 HydrophobicContact CD2-CG1 4.28Å; L356-V366 HydrophobicContact CD2-CG2 4.34Å; L356-L368 HydrophobicContact CD1-CD1 4.34Å; L356-L368 HydrophobicContact CD2-CD1 4.31Å; L356-Y382 HydrophobicContact CD1-CE1 3.67Å; L356-M383 HydrophobicContact CD1-CE 3.48Å; L356-M383 VanDerWaalsContact CD1-CE 3.48Å; L356-M383 HydrophobicContact CD1-SD 4.31Å; L356-Y388 HydrophobicContact CB-CE2 4.43Å; L356-F415 HydrophobicContact CB-CE1 4.41Å; L356-F415 HydrophobicContact CD2-CE1 4.11Å; L356-F415 HydrophobicContact CD2-CZ 4.14Å; L356-F415 WeakPolarHBondContact O-CZ 3.48Å; L356-V416 HydrophobicContact CD2-CG2 4.2Å; L356-I437 HydrophobicContact CD2-CD1 4.37Å
357	A	89.5	Confident	88.5	Confident	45 Å²	45	31 Å²	31	37%	0.372	17%	0.173	S	C	.	.	H	α-helix	trans	-59.6	-43.3	173.5	0	0	0	0	0	111.9	D353 Y360 S361	D353-A357 WeakPolarHBondContact O-CB 3.29Å; D353-A357 PolarHBondContact O-N 3.41Å; A357-Y360 PolarHBondContact O-N 3.16Å; A357-S361 PolarHBondContact O-N 3.48Å; A357-S361 VanDerWaalsContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.47Å
358	F	87.3	Confident	88.9	Confident	32 Å²	32	30.9 Å²	30.9	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-43	174.7	-178.8	-100.2	0	0	0	112.9	K354 L355 L356 Y360 S361 G362 L538 E539 L542 W550	K354-F358 PolarHBondContact O-N 2.83Å; K354-F358 VanDerWaalsContact O-N 3.16Å; L355-F358 PolarHBondContact O-N 3.2Å; L356-F358 VanDerWaalsContact C-N 3.33Å; L356-F358 PolarHBondContact O-N 3.16Å; F358-Y360 VanDerWaalsContact C-N 3.32Å; F358-Y360 PolarHBondContact O-N 2.91Å; F358-S361 PolarHBondContact O-OG 2.82Å; F358-G362 PolarHBondContact O-N 2.62Å; F358-G362 VanDerWaalsContact O-N 3.08Å; F358-L538 HydrophobicContact CB-CD1 4.35Å; F358-E539 HydrophobicContact CD2-CG 4.4Å; F358-E539 HydrophobicContact CE2-CG 3.53Å; F358-E539 HydrophobicContact CZ-CG 4.02Å; F358-L542 HydrophobicContact CD1-CD1 3.92Å; F358-L542 HydrophobicContact CE1-CD1 3.98Å; F358-W550 HydrophobicContact CE1-CH2 4.2Å
359	L	87.9	Confident	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-31.2	177.7	-67.6	170.7	0	0	0	112.5	L355 L356 G363 H364 V366 F415 T435 I437 W550	L355-L359 HydrophobicContact CD1-CD1 4.08Å; L355-L359 HydrophobicContact CD1-CG 4.36Å; L355-L359 HydrophobicContact CG-CD1 3.96Å; L355-L359 VanDerWaalsContact O-CG 3.25Å; L355-L359 WeakPolarHBondContact O-CG 3.34Å; L355-L359 PolarHBondContact O-N 3.04Å; L356-L359 PolarHBondContact O-N 2.76Å; L359-G363 PolarHBondContact O-N 3.15Å; L359-H364 HydrophobicContact CB-CB 4.3Å; L359-H364 HydrophobicContact CD2-CB 4.16Å; L359-H364 PolarHBondContact O-N 3.27Å; L359-V366 HydrophobicContact CB-CG2 4.2Å; L359-V366 HydrophobicContact CD1-CG2 3.89Å; L359-F415 HydrophobicContact CB-CE2 4.31Å; L359-F415 HydrophobicContact CB-CZ 4.13Å; L359-T435 HydrophobicContact CD1-CG2 3.93Å; L359-T435 HydrophobicContact CD2-CG2 4.07Å; L359-I437 HydrophobicContact CD1-CD1 3.93Å; L359-W550 HydrophobicContact CD2-CH2 4.02Å; L359-W550 HydrophobicContact CD2-CZ2 3.59Å
360	Y	88.9	Confident	89.2	Confident	132 Å²	132	30.8 Å²	30.8	52%	0.518	17%	0.172	S	C	.	.	H	α-helix	trans	-71.7	-43.9	177.2	-170.5	-106	0	0	0	111.8	L356 A357 F358 G362 G363 Y388 F415	L356-Y360 VanDerWaalsContact O-CB 3.23Å; L356-Y360 WeakPolarHBondContact O-CB 3.38Å; L356-Y360 PolarHBondContact O-N 3.23Å; A357-Y360 PolarHBondContact O-N 3.16Å; F358-Y360 VanDerWaalsContact C-N 3.32Å; F358-Y360 PolarHBondContact O-N 2.91Å; Y360-G362 VanDerWaalsContact C-N 3.29Å; Y360-G362 PolarHBondContact O-N 3.18Å; Y360-G363 PolarHBondContact O-N 2.96Å; Y360-Y388 HydrophobicContact CD1-CE1 4.06Å; Y360-Y388 AromaticContact CD2-CD1 3.96Å; Y360-Y388 HydrophobicContact CD2-CD1 3.96Å; Y360-Y388 AromaticContact CD2-CE1 3.89Å; Y360-Y388 HydrophobicContact CD2-CE1 3.89Å; Y360-Y388 HydrophobicContact CE1-CE1 4.49Å; Y360-Y388 HydrophobicContact CE2-CD1 4.14Å; Y360-Y388 HydrophobicContact CE2-CE1 4.34Å; Y360-Y388 HydrophobicContact CG-CD1 4.29Å; Y360-Y388 AromaticContact CG-CE1 3.73Å; Y360-Y388 HydrophobicContact CG-CE1 3.73Å; Y360-F415 HydrophobicContact CD2-CB 4.36Å; Y360-F415 AromaticContact CD2-CD1 3.63Å; Y360-F415 HydrophobicContact CD2-CD1 3.63Å; Y360-F415 AromaticContact CD2-CD2 3.84Å; Y360-F415 HydrophobicContact CD2-CD2 3.84Å; Y360-F415 AromaticContact CD2-CE1 3.8Å; Y360-F415 HydrophobicContact CD2-CE1 3.8Å; Y360-F415 HydrophobicContact CD2-CE2 4Å; Y360-F415 AromaticContact CD2-CG 3.68Å; Y360-F415 HydrophobicContact CD2-CG 3.68Å; Y360-F415 AromaticContact CD2-CZ 4Å; Y360-F415 HydrophobicContact CD2-CZ 4Å; Y360-F415 HydrophobicContact CE2-CB 4.42Å; Y360-F415 HydrophobicContact CE2-CD1 4.31Å; Y360-F415 HydrophobicContact CE2-CG 4.21Å; Y360-F415 HydrophobicContact CG-CE1 4.3Å; Y360-F415 HydrophobicContact CG-CZ 4.32Å
361	S	86.8	Confident	89.3	Confident	99 Å²	99	29.4 Å²	29.4	69%	0.692	17%	0.165	S	C	*	.	H	α-helix	trans	-64.8	-34	174.1	63.6	0	0	0	0	112.2	A357 F358 G363	A357-S361 PolarHBondContact O-N 3.48Å; A357-S361 VanDerWaalsContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.47Å; F358-S361 PolarHBondContact O-OG 2.82Å; S361-G363 VanDerWaalsContact C-N 3.26Å; S361-G363 PolarHBondContact O-N 3.09Å
362	G	81.6	Confident	89.3	Confident	16 Å²	16	30.2 Å²	30.2	17%	0.165	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.9	170.8	0	0	0	0	0	115.3	F358 Y360 H364 G548	F358-G362 PolarHBondContact O-N 2.62Å; F358-G362 VanDerWaalsContact O-N 3.08Å; Y360-G362 VanDerWaalsContact C-N 3.29Å; Y360-G362 PolarHBondContact O-N 3.18Å; G362-H364 VanDerWaalsContact C-N 3.26Å; G362-H364 PolarHBondContact O-N 2.88Å; G362-G548 WeakPolarHBondContact O-CA 3.49Å
363	G	86.1	Confident	89.2	Confident	51 Å²	51	33.3 Å²	33.3	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	25.2	-179.1	0	0	0	0	0	114.5	L359 Y360 S361	L359-G363 PolarHBondContact O-N 3.15Å; Y360-G363 PolarHBondContact O-N 2.96Å; S361-G363 VanDerWaalsContact C-N 3.26Å; S361-G363 PolarHBondContact O-N 3.09Å
364	H	88.8	Confident	89.2	Confident	3 Å²	3	36 Å²	36	1%	0.014	20%	0.2	C	C	.	.			trans	-74.7	165	176.8	-70.8	-64.1	0	0	0	112	L359 G362 F415 D434 T545 G548 W550	L359-H364 HydrophobicContact CB-CB 4.3Å; L359-H364 HydrophobicContact CD2-CB 4.16Å; L359-H364 PolarHBondContact O-N 3.27Å; G362-H364 VanDerWaalsContact C-N 3.26Å; G362-H364 PolarHBondContact O-N 2.88Å; H364-F415 VanDerWaalsContact O-CD2 3.22Å; H364-F415 WeakPolarHBondContact O-CD2 3.32Å; H364-F415 WeakPolarHBondContact O-CE2 3.5Å; H364-D434 WeakPolarHBondContact CB-OD1 3.39Å; H364-D434 IonicContact CE1-OD2 2.72Å; H364-D434 IonicContact CG-OD1 2.65Å; H364-D434 IonicContact CG-OD2 2.62Å; H364-D434 IonicContact ND1-OD1 2.69Å; H364-D434 PolarHBondContact ND1-OD1 3.49Å; H364-D434 IonicContact ND1-OD2 3.1Å; H364-D434 PolarHBondContact ND1-OD2 3.04Å; H364-T545 VanDerWaalsContact NE2-CG2 3.33Å; H364-T545 WeakPolarHBondContact NE2-CG2 3.5Å; H364-G548 PolarHBondContact CE1-O 3.17Å; H364-W550 AromaticContact CE1-NE1 3.86Å; H364-W550 AromaticContact ND1-NE1 3.9Å
365	R	90.9	Very high	89.3	Confident	75 Å²	75	31.7 Å²	31.7	28%	0.283	18%	0.181	S	C	.	.			trans	-124.2	128	173.9	-68.1	-164.2	-159	-171.7	4	110.2	F409 Q412 A432 D434 T435	R365-F409 HydrophobicContact CB-CZ 4.32Å; R365-F409 PolarHBondContact NH1-O 3.09Å; R365-F409 VanDerWaalsContact NH1-O 3.16Å; R365-Q412 PolarHBondContact NH1-O 3.36Å; R365-A432 WeakPolarHBondContact CD-O 3.36Å; R365-D434 PolarHBondContact N-OD1 3.07Å; R365-D434 PolarHBondContact O-N 3.4Å; R365-D434 VanDerWaalsContact O-N 3.14Å; R365-D434 VanDerWaalsContact O-OD1 3.11Å; R365-T435 PolarHBondContact O-N 3.05Å; R365-T435 VanDerWaalsContact O-N 3.11Å
366	V	92.4	Very high	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.3	-160.6	-171.4	0	0	0	0	111.3	L356 L359 L368 F415 V416 F417 T435 I437	L356-V366 HydrophobicContact CD2-CG1 4.28Å; L356-V366 HydrophobicContact CD2-CG2 4.34Å; L359-V366 HydrophobicContact CB-CG2 4.2Å; L359-V366 HydrophobicContact CD1-CG2 3.89Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; V366-F415 HydrophobicContact CG2-CE2 3.86Å; V366-F415 HydrophobicContact CG2-CZ 4.09Å; V366-F415 PolarHBondContact N-O 3.48Å; V366-V416 HydrophobicContact CB-CG2 4.36Å; V366-V416 CarbonylContact O-C 3.57Å; V366-V416 WeakPolarHBondContact O-CA 3.29Å; V366-F417 PolarHBondContact O-N 3.3Å; V366-T435 CarbonylContact C-O 3.53Å; V366-T435 WeakPolarHBondContact CA-O 3.45Å; V366-I437 HydrophobicContact CG1-CD1 3.49Å; V366-I437 VanDerWaalsContact CG1-CD1 3.49Å; V366-I437 HydrophobicContact CG1-CG1 3.78Å
367	L	93	Very high	89.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.4	162.5	-53.9	-173.6	0	0	0	108.9	F369 F409 F417 L430 A433 T435 V436 I437 A455	L367-F369 HydrophobicContact CB-CD2 4.37Å; L367-F369 HydrophobicContact CB-CE2 3.75Å; L367-F369 HydrophobicContact CB-CZ 4.27Å; L367-F369 HydrophobicContact CD1-CE2 4.12Å; L367-F369 HydrophobicContact CD1-CZ 4.13Å; L367-F409 HydrophobicContact CD2-CE1 3.88Å; L367-F409 HydrophobicContact CD2-CZ 3.92Å; L367-F417 HydrophobicContact CD2-CB 3.72Å; L367-F417 HydrophobicContact CD2-CG 4.39Å; L367-L430 HydrophobicContact CD1-CB 3.9Å; L367-L430 HydrophobicContact CD1-CD1 3.9Å; L367-L430 HydrophobicContact CD2-CB 4.35Å; L367-L430 HydrophobicContact CD2-CD1 4.18Å; L367-A433 HydrophobicContact CD1-CB 4.11Å; L367-A433 HydrophobicContact CD2-CB 3.63Å; L367-A433 HydrophobicContact CG-CB 3.49Å; L367-A433 VanDerWaalsContact CG-CB 3.49Å; L367-T435 PolarHBondContact N-O 2.86Å; L367-V436 HydrophobicContact CB-CG2 4.39Å; L367-V436 HydrophobicContact CD1-CG2 4.3Å; L367-I437 PolarHBondContact O-N 3.03Å; L367-A455 HydrophobicContact CD1-CB 3.95Å
368	L	93.3	Very high	89.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.1	177.4	-97.3	164.3	0	0	0	109.4	L352 L356 V366 M383 V416 F417 L418 L419 I437 V439	L352-L368 HydrophobicContact CD1-CD2 4Å; L352-L368 HydrophobicContact CD2-CD2 4.32Å; L356-L368 HydrophobicContact CD1-CD1 4.34Å; L356-L368 HydrophobicContact CD2-CD1 4.31Å; V366-L368 HydrophobicContact CG1-CG 4.21Å; L368-M383 HydrophobicContact CD1-CE 3.58Å; L368-V416 HydrophobicContact CB-CG1 4.45Å; L368-V416 HydrophobicContact CD1-CG1 3.83Å; L368-V416 HydrophobicContact CD1-CG2 4.46Å; L368-F417 PolarHBondContact N-O 3.08Å; L368-L418 HydrophobicContact CB-CD2 3.85Å; L368-L418 HydrophobicContact CD1-CD2 4.16Å; L368-L419 PolarHBondContact O-N 3.41Å; L368-I437 HydrophobicContact CD2-CB 3.67Å; L368-I437 HydrophobicContact CD2-CD1 4.33Å; L368-I437 HydrophobicContact CD2-CG2 3.7Å; L368-I437 HydrophobicContact CG-CB 4.26Å; L368-V439 HydrophobicContact CD2-CG2 3.45Å; L368-V439 VanDerWaalsContact CD2-CG2 3.45Å
369	F	92.8	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	179.8	-69.5	-76.8	0	0	0	111.6	L367 L419 V436 I437 F438 V439 A451	L367-F369 HydrophobicContact CB-CD2 4.37Å; L367-F369 HydrophobicContact CB-CE2 3.75Å; L367-F369 HydrophobicContact CB-CZ 4.27Å; L367-F369 HydrophobicContact CD1-CE2 4.12Å; L367-F369 HydrophobicContact CD1-CZ 4.13Å; F369-L419 WeakPolarHBondContact CA-O 3.42Å; F369-L419 HydrophobicContact CD1-CB 3.5Å; F369-L419 HydrophobicContact CD1-CD1 4.35Å; F369-L419 HydrophobicContact CE1-CB 3.48Å; F369-L419 VanDerWaalsContact CE1-CB 3.48Å; F369-L419 HydrophobicContact CE1-CD1 3.52Å; F369-L419 HydrophobicContact CE1-CG 4.04Å; F369-L419 HydrophobicContact CG-CB 4.44Å; F369-L419 HydrophobicContact CZ-CB 4.41Å; F369-L419 HydrophobicContact CZ-CD1 3.71Å; F369-V436 HydrophobicContact CD2-CG1 3.7Å; F369-V436 HydrophobicContact CE2-CG1 3.64Å; F369-I437 PolarHBondContact N-O 2.93Å; F369-F438 HydrophobicContact CB-CD1 3.68Å; F369-F438 HydrophobicContact CB-CE1 3.84Å; F369-F438 HydrophobicContact CD2-CD1 4.38Å; F369-F438 AromaticContact CD2-CE1 3.92Å; F369-F438 HydrophobicContact CD2-CE1 3.92Å; F369-F438 HydrophobicContact CD2-CZ 4.12Å; F369-F438 HydrophobicContact CG-CD1 4.29Å; F369-F438 AromaticContact CG-CE1 3.95Å; F369-F438 HydrophobicContact CG-CE1 3.95Å; F369-V439 WeakPolarHBondContact O-CB 3.41Å; F369-V439 PolarHBondContact O-N 3.3Å; F369-A451 HydrophobicContact CD1-CB 4.12Å; F369-A451 HydrophobicContact CE1-CB 3.82Å; F369-A451 HydrophobicContact CE2-CB 4.26Å; F369-A451 HydrophobicContact CG-CB 4.47Å; F369-A451 HydrophobicContact CZ-CB 3.9Å
370	S	91.7	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.2	166.8	-178.7	0	0	0	0	112.4	M372 L419 S420 T421 D440	S370-M372 PolarHBondContact OG-N 3.1Å; S370-L419 PolarHBondContact N-O 1.99Å; S370-L419 VanDerWaalsContact N-O 3.08Å; S370-S420 CarbonylContact O-C 3.58Å; S370-S420 WeakPolarHBondContact O-CA 3.38Å; S370-T421 PolarHBondContact O-N 3.07Å; S370-T421 PolarHBondContact O-OG1 3.33Å; S370-D440 WeakPolarHBondContact CA-OD1 3.34Å; S370-D440 VanDerWaalsContact CB-OD1 3.25Å; S370-D440 WeakPolarHBondContact CB-OD1 3.45Å; S370-D440 PolarHBondContact OG-OD1 3.29Å
371	Q	89	Confident	89.6	Confident	36 Å²	36	30.1 Å²	30.1	17%	0.168	18%	0.176	C	C	.	.	S	Bend	trans	-77.6	-31.2	171	-60.4	-75.8	-15.3	0	0	112.2	D440 D442	Q371-D440 WeakPolarHBondContact CB-OD2 3.44Å; Q371-D440 WeakPolarHBondContact CG-OD2 3.36Å; Q371-D440 PolarHBondContact N-OD1 3.47Å; Q371-D440 PolarHBondContact N-OD2 3.38Å; Q371-D442 VanDerWaalsContact NE2-CB 3.26Å; Q371-D442 VanDerWaalsContact NE2-CG 3.26Å; Q371-D442 PolarHBondContact NE2-OD2 3.44Å
372	M	87.6	Confident	89.7	Confident	27 Å²	27	25.4 Å²	25.4	13%	0.133	14%	0.143	C	C	.	.			trans	-93.4	114.8	-172.7	-57.9	-157.5	-159.7	0	0	111	R319 K320 D323 L327 S370 Q374 M375 L376	R319-M372 HydrophobicContact CB-CE 3.66Å; K320-M372 HydrophobicContact CG-CE 3.86Å; K320-M372 HydrophobicContact CG-SD 3.58Å; K320-M372 VanDerWaalsContact CG-SD 3.58Å; D323-M372 VanDerWaalsContact OD2-CE 3.28Å; D323-M372 WeakPolarHBondContact OD2-CE 3.38Å; L327-M372 HydrophobicContact CD1-SD 4.18Å; S370-M372 PolarHBondContact OG-N 3.1Å; M372-Q374 PolarHBondContact O-N 3.06Å; M372-M375 HydrophobicContact CB-CB 3.96Å; M372-M375 WeakPolarHBondContact O-CB 3.17Å; M372-M375 PolarHBondContact O-N 3.37Å; M372-L376 PolarHBondContact O-N 3.47Å
373	T	88.6	Confident	90.1	Very high	66 Å²	66	24.7 Å²	24.7	41%	0.405	14%	0.135	S	C	.	.	H	α-helix	trans	-61.2	-33.2	176.1	52.3	0	0	0	0	112.4	M375 L376 D377 D394	T373-M375 VanDerWaalsContact C-N 3.27Å; T373-M375 PolarHBondContact O-N 2.92Å; T373-L376 WeakPolarHBondContact O-CA 3.46Å; T373-L376 WeakPolarHBondContact O-CB 3.44Å; T373-L376 PolarHBondContact O-N 2.62Å; T373-L376 VanDerWaalsContact O-N 3.1Å; T373-D377 PolarHBondContact O-N 2.8Å; T373-D394 HydrophobicContact CG2-CB 4.34Å
374	Q	89.1	Confident	90.1	Very high	83 Å²	83	26.8 Å²	26.8	39%	0.388	13%	0.134	S	C	.	.	H	α-helix	trans	-63.6	-30.7	173.6	-63	-176	-66.7	0	0	112.7	K320 L327 M372 D377 I378	K320-Q374 VanDerWaalsContact NZ-OE1 3.08Å; L327-Q374 HydrophobicContact CD2-CB 3.37Å; M372-Q374 PolarHBondContact O-N 3.06Å; Q374-D377 WeakPolarHBondContact CA-OD2 3.36Å; Q374-D377 WeakPolarHBondContact O-CB 3.25Å; Q374-D377 PolarHBondContact O-N 3.45Å; Q374-I378 PolarHBondContact O-N 3.23Å
375	M	90.2	Very high	89.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.4	-32.2	173.7	-172.1	60.3	-170.1	0	0	111.1	D323 H324 L327 L349 M372 T373 D377 I378 L379 V439	D323-M375 HydrophobicContact CB-SD 4.23Å; H324-M375 HydrophobicContact CB-CE 4.32Å; H324-M375 HydrophobicContact CB-SD 3.73Å; L327-M375 HydrophobicContact CD1-SD 4.46Å; L349-M375 HydrophobicContact CD2-CE 3.71Å; L349-M375 HydrophobicContact CG-CE 4.08Å; M372-M375 HydrophobicContact CB-CB 3.96Å; M372-M375 WeakPolarHBondContact O-CB 3.17Å; M372-M375 PolarHBondContact O-N 3.37Å; T373-M375 VanDerWaalsContact C-N 3.27Å; T373-M375 PolarHBondContact O-N 2.92Å; M375-D377 VanDerWaalsContact C-N 3.31Å; M375-I378 PolarHBondContact O-N 3.31Å; M375-I378 HydrophobicContact SD-CB 4.43Å; M375-I378 HydrophobicContact SD-CD1 4.45Å; M375-I378 HydrophobicContact SD-CG2 4.4Å; M375-L379 HydrophobicContact CE-CD2 4.42Å; M375-L379 HydrophobicContact CE-CG 4.26Å; M375-L379 HydrophobicContact CG-CD1 4.3Å; M375-L379 WeakPolarHBondContact O-CB 3.34Å; M375-L379 VanDerWaalsContact O-CG 3.23Å; M375-L379 WeakPolarHBondContact O-CG 3.46Å; M375-L379 PolarHBondContact O-N 2.72Å; M375-V439 HydrophobicContact CE-CG1 4.22Å; M375-V439 HydrophobicContact CG-CG1 4.32Å
376	L	91.4	Very high	89.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-33.5	170	-58.7	178.4	0	0	0	112.1	M372 T373 L379 Q380 L418	M372-L376 PolarHBondContact O-N 3.47Å; T373-L376 WeakPolarHBondContact O-CA 3.46Å; T373-L376 WeakPolarHBondContact O-CB 3.44Å; T373-L376 PolarHBondContact O-N 2.62Å; T373-L376 VanDerWaalsContact O-N 3.1Å; L376-L379 HydrophobicContact CD2-CD1 4.3Å; L376-L379 PolarHBondContact O-N 3.04Å; L376-Q380 WeakPolarHBondContact O-CG 3.33Å; L376-Q380 PolarHBondContact O-N 3.18Å; L376-L418 HydrophobicContact CD2-CB 4.41Å
377	D	89.6	Confident	89.3	Confident	47 Å²	47	33.9 Å²	33.9	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-53.9	172.6	-54.1	-25.1	0	0	0	109.9	T373 Q374 M375 L379 Q380 D381 R392	T373-D377 PolarHBondContact O-N 2.8Å; Q374-D377 WeakPolarHBondContact CA-OD2 3.36Å; Q374-D377 WeakPolarHBondContact O-CB 3.25Å; Q374-D377 PolarHBondContact O-N 3.45Å; M375-D377 VanDerWaalsContact C-N 3.31Å; D377-L379 VanDerWaalsContact C-N 3.28Å; D377-L379 PolarHBondContact O-N 3.5Å; D377-Q380 WeakPolarHBondContact O-CB 3.12Å; D377-Q380 PolarHBondContact O-N 3.07Å; D377-D381 PolarHBondContact O-N 2.86Å; D377-R392 IonicContact OD1-CZ 2.69Å; D377-R392 IonicContact OD1-NH1 3.91Å; D377-R392 PolarHBondContact OD1-NH1 3.02Å; D377-R392 IonicContact OD1-NH2 3.82Å; D377-R392 PolarHBondContact OD1-NH2 2.8Å
378	I	89.8	Confident	89.2	Confident	15 Å²	15	35.2 Å²	35.2	8%	0.077	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-39.1	176.8	-70.6	166.3	0	0	0	112.4	H324 L327 L342 L349 Q374 M375 Q380 D381 Y382	H324-I378 HydrophobicContact CB-CD1 3.94Å; L327-I378 HydrophobicContact CD2-CD1 3.66Å; L327-I378 HydrophobicContact CG-CD1 3.9Å; L342-I378 HydrophobicContact CD1-CG2 4.01Å; L349-I378 HydrophobicContact CD1-CG2 3.91Å; Q374-I378 PolarHBondContact O-N 3.23Å; M375-I378 PolarHBondContact O-N 3.31Å; M375-I378 HydrophobicContact SD-CB 4.43Å; M375-I378 HydrophobicContact SD-CD1 4.45Å; M375-I378 HydrophobicContact SD-CG2 4.4Å; I378-Q380 VanDerWaalsContact C-N 3.31Å; I378-Q380 PolarHBondContact O-N 3.44Å; I378-D381 PolarHBondContact O-N 2.92Å; I378-Y382 PolarHBondContact O-N 3.38Å; I378-Y382 VanDerWaalsContact O-N 3.08Å
379	L	90.8	Very high	89	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-30.6	175.9	-74.5	166.5	0	0	0	112.4	L349 L352 M375 L376 D377 M383 L418 V439	L349-L379 HydrophobicContact CD2-CD2 3.61Å; L352-L379 HydrophobicContact CD2-CD2 3.41Å; L352-L379 VanDerWaalsContact CD2-CD2 3.41Å; M375-L379 HydrophobicContact CE-CD2 4.42Å; M375-L379 HydrophobicContact CE-CG 4.26Å; M375-L379 HydrophobicContact CG-CD1 4.3Å; M375-L379 WeakPolarHBondContact O-CB 3.34Å; M375-L379 VanDerWaalsContact O-CG 3.23Å; M375-L379 WeakPolarHBondContact O-CG 3.46Å; M375-L379 PolarHBondContact O-N 2.72Å; L376-L379 HydrophobicContact CD2-CD1 4.3Å; L376-L379 PolarHBondContact O-N 3.04Å; D377-L379 VanDerWaalsContact C-N 3.28Å; D377-L379 PolarHBondContact O-N 3.5Å; L379-M383 WeakPolarHBondContact O-CG 3.22Å; L379-M383 PolarHBondContact O-N 2.99Å; L379-L418 HydrophobicContact CB-CD2 4.23Å; L379-V439 HydrophobicContact CD1-CG2 4.17Å
380	Q	90.3	Very high	89	Confident	37 Å²	37	40.7 Å²	40.7	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-47.1	173.2	-72.4	-177.8	-53.5	0	0	111.3	L376 D377 I378 Y382 M383 D384 Y390 L418	L376-Q380 WeakPolarHBondContact O-CG 3.33Å; L376-Q380 PolarHBondContact O-N 3.18Å; D377-Q380 WeakPolarHBondContact O-CB 3.12Å; D377-Q380 PolarHBondContact O-N 3.07Å; I378-Q380 VanDerWaalsContact C-N 3.31Å; I378-Q380 PolarHBondContact O-N 3.44Å; Q380-Y382 VanDerWaalsContact C-N 3.26Å; Q380-Y382 PolarHBondContact O-N 3.36Å; Q380-M383 PolarHBondContact O-N 3.36Å; Q380-D384 PolarHBondContact O-N 3.26Å; Q380-Y390 HydrophobicContact CB-CE2 4.37Å; Q380-Y390 HydrophobicContact CG-CD2 4.36Å; Q380-Y390 HydrophobicContact CG-CE2 3.7Å; Q380-Y390 VanDerWaalsContact NE2-CE2 3.31Å; Q380-L418 HydrophobicContact CG-CD1 3.54Å
381	D	87.4	Confident	88.9	Confident	77 Å²	77	42.8 Å²	42.8	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-39.4	178.3	-59.6	-39.4	0	0	0	111.2	D377 I378 Y385	D377-D381 PolarHBondContact O-N 2.86Å; I378-D381 PolarHBondContact O-N 2.92Å; D381-Y385 WeakPolarHBondContact O-CB 3.23Å; D381-Y385 PolarHBondContact O-N 3.49Å
382	Y	89.4	Confident	88.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-40.3	172.3	163.2	-92.5	0	0	0	113.5	T343 D353 L356 I378 Q380 Y385 R386 Y388	T343-Y382 HydrophobicContact CG2-CD2 3.95Å; T343-Y382 HydrophobicContact CG2-CE2 3.98Å; D353-Y382 WeakPolarHBondContact CA-OH 3.39Å; D353-Y382 HydrophobicContact CB-CE2 4.11Å; D353-Y382 PolarHBondContact OD1-OH 3.29Å; D353-Y382 VanDerWaalsContact OD1-OH 3.08Å; L356-Y382 HydrophobicContact CD1-CE1 3.67Å; I378-Y382 PolarHBondContact O-N 3.38Å; I378-Y382 VanDerWaalsContact O-N 3.08Å; Q380-Y382 VanDerWaalsContact C-N 3.26Å; Q380-Y382 PolarHBondContact O-N 3.36Å; Y382-Y385 WeakPolarHBondContact O-CB 3.35Å; Y382-Y385 PolarHBondContact O-N 3.46Å; Y382-R386 HydrophobicContact CD2-CG 4.31Å; Y382-R386 HydrophobicContact CE2-CG 3.65Å; Y382-R386 PolarHBondContact O-N 3.27Å; Y382-Y388 HydrophobicContact CE1-CD2 4.47Å
383	M	89.2	Confident	88.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.7	-39.4	179	-64.2	-77.6	170	0	0	111.6	L356 L368 L379 Q380 Y385 R386 G387 Y388 Y390 V416	L356-M383 HydrophobicContact CD1-CE 3.48Å; L356-M383 VanDerWaalsContact CD1-CE 3.48Å; L356-M383 HydrophobicContact CD1-SD 4.31Å; L368-M383 HydrophobicContact CD1-CE 3.58Å; L379-M383 WeakPolarHBondContact O-CG 3.22Å; L379-M383 PolarHBondContact O-N 2.99Å; Q380-M383 PolarHBondContact O-N 3.36Å; M383-Y385 VanDerWaalsContact C-N 3.32Å; M383-R386 PolarHBondContact O-N 3.06Å; M383-G387 WeakPolarHBondContact O-CA 3.22Å; M383-G387 PolarHBondContact O-N 3.21Å; M383-Y388 PolarHBondContact O-N 3.29Å; M383-Y388 HydrophobicContact SD-CD2 3.87Å; M383-Y388 HydrophobicContact SD-CG 4.29Å; M383-Y390 HydrophobicContact CB-CD1 3.42Å; M383-Y390 VanDerWaalsContact CB-CD1 3.42Å; M383-Y390 HydrophobicContact CB-CE1 3.84Å; M383-Y390 HydrophobicContact CB-CG 4.23Å; M383-Y390 HydrophobicContact CG-CD1 4.17Å; M383-V416 HydrophobicContact CE-CB 4.36Å; M383-V416 HydrophobicContact CE-CG1 3.87Å; M383-V416 HydrophobicContact CE-CG2 3.96Å; M383-V416 HydrophobicContact SD-CB 4.23Å; M383-V416 HydrophobicContact SD-CG1 4.25Å; M383-V416 HydrophobicContact SD-CG2 3.91Å
384	D	87.4	Confident	88.7	Confident	96 Å²	96	38.7 Å²	38.7	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-61.4	-41	171.8	-85.9	-16.7	0	0	0	110.9	Q380 G387	Q380-D384 PolarHBondContact O-N 3.26Å; D384-G387 PolarHBondContact O-N 3.05Å
385	Y	85.1	Confident	88	Confident	80 Å²	80	37.8 Å²	37.8	31%	0.314	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-47.5	176.3	-176.3	-122.5	0	0	0	113.6	V338 D340 D381 Y382 M383 G387	V338-Y385 HydrophobicContact CG1-CD2 3.99Å; V338-Y385 HydrophobicContact CG1-CG 3.98Å; D340-Y385 PolarHBondContact N-OH 2.82Å; D340-Y385 PolarHBondContact OD1-OH 3.46Å; D340-Y385 PolarHBondContact OD2-OH 3.17Å; D381-Y385 WeakPolarHBondContact O-CB 3.23Å; D381-Y385 PolarHBondContact O-N 3.49Å; Y382-Y385 WeakPolarHBondContact O-CB 3.35Å; Y382-Y385 PolarHBondContact O-N 3.46Å; M383-Y385 VanDerWaalsContact C-N 3.32Å; Y385-G387 VanDerWaalsContact C-N 3.3Å
386	R	84.1	Confident	87.2	Confident	84 Å²	84	42.4 Å²	42.4	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-81.1	-8	178.4	-67.2	-59.6	-159.5	-141.6	3.6	113.3	D340 D353 Y382 M383 Y388	D340-R386 IonicContact OD1-NH1 3.51Å; D340-R386 PolarHBondContact OD1-NH1 3.27Å; D353-R386 IonicContact OD1-CZ 2.73Å; D353-R386 VanDerWaalsContact OD1-CZ 3.31Å; D353-R386 IonicContact OD1-NE 3.3Å; D353-R386 PolarHBondContact OD1-NE 2.87Å; D353-R386 IonicContact OD1-NH2 3.81Å; D353-R386 PolarHBondContact OD1-NH2 3.44Å; D353-R386 IonicContact OD2-CZ 3.71Å; D353-R386 IonicContact OD2-NH2 3.45Å; D353-R386 PolarHBondContact OD2-NH2 3.11Å; Y382-R386 HydrophobicContact CD2-CG 4.31Å; Y382-R386 HydrophobicContact CE2-CG 3.65Å; Y382-R386 PolarHBondContact O-N 3.27Å; M383-R386 PolarHBondContact O-N 3.06Å; R386-Y388 HydrophobicContact CB-CD2 3.55Å; R386-Y388 HydrophobicContact CB-CE2 3.42Å; R386-Y388 VanDerWaalsContact CB-CE2 3.42Å; R386-Y388 HydrophobicContact CB-CG 4.36Å; R386-Y388 HydrophobicContact CG-CD2 4.43Å; R386-Y388 HydrophobicContact CG-CE2 3.99Å
387	G	85.9	Confident	86.5	Confident	62 Å²	62	43.8 Å²	43.8	64%	0.639	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	24	179.8	0	0	0	0	0	114.7	M383 D384 Y385	M383-G387 WeakPolarHBondContact O-CA 3.22Å; M383-G387 PolarHBondContact O-N 3.21Å; D384-G387 PolarHBondContact O-N 3.05Å; Y385-G387 VanDerWaalsContact C-N 3.3Å
388	Y	89.8	Confident	85.7	Confident	29 Å²	29	50.8 Å²	50.8	11%	0.114	28%	0.277	C	S	.	.			trans	-79.7	136	179.7	-67.8	-50.7	0	0	0	111.8	L356 Y360 Y382 M383 R386 Y390 F415	L356-Y388 HydrophobicContact CB-CE2 4.43Å; Y360-Y388 HydrophobicContact CD1-CE1 4.06Å; Y360-Y388 AromaticContact CD2-CD1 3.96Å; Y360-Y388 HydrophobicContact CD2-CD1 3.96Å; Y360-Y388 AromaticContact CD2-CE1 3.89Å; Y360-Y388 HydrophobicContact CD2-CE1 3.89Å; Y360-Y388 HydrophobicContact CE1-CE1 4.49Å; Y360-Y388 HydrophobicContact CE2-CD1 4.14Å; Y360-Y388 HydrophobicContact CE2-CE1 4.34Å; Y360-Y388 HydrophobicContact CG-CD1 4.29Å; Y360-Y388 AromaticContact CG-CE1 3.73Å; Y360-Y388 HydrophobicContact CG-CE1 3.73Å; Y382-Y388 HydrophobicContact CE1-CD2 4.47Å; M383-Y388 PolarHBondContact O-N 3.29Å; M383-Y388 HydrophobicContact SD-CD2 3.87Å; M383-Y388 HydrophobicContact SD-CG 4.29Å; R386-Y388 HydrophobicContact CB-CD2 3.55Å; R386-Y388 HydrophobicContact CB-CE2 3.42Å; R386-Y388 VanDerWaalsContact CB-CE2 3.42Å; R386-Y388 HydrophobicContact CB-CG 4.36Å; R386-Y388 HydrophobicContact CG-CD2 4.43Å; R386-Y388 HydrophobicContact CG-CE2 3.99Å; Y388-Y390 PolarHBondContact O-N 3.27Å; Y388-F415 AromaticContact CD1-CD1 3.76Å; Y388-F415 HydrophobicContact CD1-CD1 3.76Å; Y388-F415 AromaticContact CD1-CE1 3.95Å; Y388-F415 HydrophobicContact CD1-CE1 3.95Å; Y388-F415 HydrophobicContact CE1-CD1 4.37Å; Y388-F415 HydrophobicContact CE1-CE1 4.13Å; Y388-F415 HydrophobicContact CG-CD1 4.01Å; Y388-F415 HydrophobicContact CG-CE1 4.24Å
389	S	89.9	Confident	84.7	Confident	54 Å²	54	51.5 Å²	51.5	38%	0.378	29%	0.288	S	S	.	.			trans	-72.3	123.1	173.4	58.8	0	0	0	0	111	F415 V416	S389-F415 PolarHBondContact O-N 3.44Å; S389-F415 PolarHBondContact OG-N 3.3Å; S389-F415 VanDerWaalsContact OG-N 3.12Å; S389-V416 PolarHBondContact O-N 2.92Å; S389-V416 VanDerWaalsContact O-N 3.08Å
390	Y	91.9	Very high	84	Confident	60 Å²	60	59.6 Å²	59.6	24%	0.235	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.2	178.6	72.5	-92.9	0	0	0	113.6	Q380 M383 Y388 V416 L418	Q380-Y390 HydrophobicContact CB-CE2 4.37Å; Q380-Y390 HydrophobicContact CG-CD2 4.36Å; Q380-Y390 HydrophobicContact CG-CE2 3.7Å; Q380-Y390 VanDerWaalsContact NE2-CE2 3.31Å; M383-Y390 HydrophobicContact CB-CD1 3.42Å; M383-Y390 VanDerWaalsContact CB-CD1 3.42Å; M383-Y390 HydrophobicContact CB-CE1 3.84Å; M383-Y390 HydrophobicContact CB-CG 4.23Å; M383-Y390 HydrophobicContact CG-CD1 4.17Å; Y388-Y390 PolarHBondContact O-N 3.27Å; Y390-V416 VanDerWaalsContact CA-O 3.22Å; Y390-V416 WeakPolarHBondContact CA-O 3.06Å; Y390-L418 HydrophobicContact CD2-CD1 4Å; Y390-L418 HydrophobicContact CG-CD1 4.43Å
391	E	90.6	Very high	83.4	Confident	44 Å²	44	63 Å²	63	21%	0.206	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.9	164.4	-80.8	-80.9	-160.6	0	0	109	N408 I414 V416 F417 L418	E391-N408 WeakPolarHBondContact OE1-CB 3.42Å; E391-N408 PolarHBondContact OE1-ND2 2.9Å; E391-I414 HydrophobicContact CG-CD1 3.71Å; E391-I414 HydrophobicContact CG-CG2 4.42Å; E391-V416 PolarHBondContact N-O 3.45Å; E391-F417 HydrophobicContact CB-CD2 3.55Å; E391-F417 HydrophobicContact CB-CE2 3.52Å; E391-F417 HydrophobicContact CB-CG 4.47Å; E391-F417 HydrophobicContact CB-CZ 4.43Å; E391-F417 HydrophobicContact CG-CD2 4.48Å; E391-F417 HydrophobicContact CG-CE2 4.33Å; E391-L418 PolarHBondContact O-N 3.41Å
392	R	89.1	Confident	83	Confident	36 Å²	36	60.8 Å²	60.8	14%	0.136	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.9	179.4	175	178.3	169.2	159.6	-1.7	112.3	D377 D394 L418	D377-R392 IonicContact OD1-CZ 2.69Å; D377-R392 IonicContact OD1-NH1 3.91Å; D377-R392 PolarHBondContact OD1-NH1 3.02Å; D377-R392 IonicContact OD1-NH2 3.82Å; D377-R392 PolarHBondContact OD1-NH2 2.8Å; R392-D394 IonicContact CZ-OD2 3.34Å; R392-D394 VanDerWaalsContact CZ-OD2 3.3Å; R392-D394 IonicContact NE-OD2 3.56Å; R392-D394 PolarHBondContact NE-OD2 2.96Å; R392-D394 IonicContact NH2-OD2 2.82Å; R392-D394 PolarHBondContact NH2-OD2 2.64Å; R392-L418 CarbonylContact C-O 3.56Å; R392-L418 WeakPolarHBondContact CA-O 3.44Å; R392-L418 HydrophobicContact CB-CB 4.19Å; R392-L418 HydrophobicContact CG-CB 4.36Å
393	V	86.8	Confident	82.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	120.1	167.4	173.5	0	0	0	0	110.6	R402 A405 F417 L418 L419 S420 A423 M428	V393-R402 HydrophobicContact CG1-CG 3.76Å; V393-R402 HydrophobicContact CG2-CG 4.21Å; V393-A405 HydrophobicContact CG2-CB 3.91Å; V393-F417 HydrophobicContact CB-CE1 4.13Å; V393-F417 HydrophobicContact CB-CZ 4.4Å; V393-F417 HydrophobicContact CG2-CE1 3.87Å; V393-F417 HydrophobicContact CG2-CZ 3.64Å; V393-L418 PolarHBondContact N-O 2.99Å; V393-L419 HydrophobicContact CB-CD2 3.93Å; V393-L419 HydrophobicContact CG1-CD2 4.22Å; V393-L419 WeakPolarHBondContact O-CA 3.29Å; V393-S420 PolarHBondContact O-N 3.39Å; V393-A423 HydrophobicContact CG1-CB 4.39Å; V393-M428 HydrophobicContact CB-CE 4.35Å; V393-M428 HydrophobicContact CG1-CE 3.99Å; V393-M428 HydrophobicContact CG1-SD 4.49Å; V393-M428 HydrophobicContact CG2-CE 4.26Å
394	D	84.3	Confident	82	Confident	7 Å²	7	68.5 Å²	68.5	4%	0.037	37%	0.366	C	S	.	.			trans	-126.3	-168.4	168.3	66.5	42.8	0	0	0	111.8	T373 R392 S396 V397 R402	T373-D394 HydrophobicContact CG2-CB 4.34Å; R392-D394 IonicContact CZ-OD2 3.34Å; R392-D394 VanDerWaalsContact CZ-OD2 3.3Å; R392-D394 IonicContact NE-OD2 3.56Å; R392-D394 PolarHBondContact NE-OD2 2.96Å; R392-D394 IonicContact NH2-OD2 2.82Å; R392-D394 PolarHBondContact NH2-OD2 2.64Å; D394-S396 VanDerWaalsContact C-N 3.3Å; D394-S396 PolarHBondContact O-N 3.1Å; D394-S396 WeakPolarHBondContact OD1-CA 3.38Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 3.32Å; D394-V397 PolarHBondContact OD1-N 3.5Å; D394-R402 PolarHBondContact O-NH2 3Å
395	G	75.6	Confident	81.9	Confident	65 Å²	65	64.1 Å²	64.1	67%	0.67	34%	0.343	S	S	*	.	S	Bend	trans	-74.2	-15.1	-178.3	0	0	0	0	0	114.8
396	S	73.3	Confident	81.8	Confident	96 Å²	96	62 Å²	62	67%	0.671	34%	0.337	S	S	*	.	S	Bend	trans	-88.5	-26.9	179.1	73.1	0	0	0	0	113.2	D394 R398	D394-S396 VanDerWaalsContact C-N 3.3Å; D394-S396 PolarHBondContact O-N 3.1Å; D394-S396 WeakPolarHBondContact OD1-CA 3.38Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 3.32Å; S396-R398 PolarHBondContact O-N 3.45Å
397	V	75.9	Confident	81.9	Confident	30 Å²	30	63.9 Å²	63.9	18%	0.182	35%	0.347	C	S	.	.	S	Bend	trans	-61.1	130.3	178.5	-179	0	0	0	0	110.6	D394 E401 R402	D394-V397 PolarHBondContact OD1-N 3.5Å; V397-E401 HydrophobicContact CG1-CB 3.68Å; V397-R402 HydrophobicContact CG1-CB 4.3Å; V397-R402 PolarHBondContact O-NH2 3.34Å; V397-R402 VanDerWaalsContact O-NH2 3.16Å
398	R	73.5	Confident	81.9	Confident	194 Å²	194	62.4 Å²	62.4	73%	0.732	33%	0.325	S	S	*	.			trans	-66.6	158	-178.7	-70.4	-175.4	169	-153.2	-2.9	111.4	S396 E400 E401 R402	S396-R398 PolarHBondContact O-N 3.45Å; R398-E400 PolarHBondContact O-N 3.04Å; R398-E401 HydrophobicContact CB-CG 4.38Å; R398-E401 WeakPolarHBondContact CB-OE2 3.15Å; R398-E401 PolarHBondContact N-OE2 2.98Å; R398-E401 PolarHBondContact O-N 3.45Å; R398-R402 WeakPolarHBondContact O-CB 3.32Å; R398-R402 PolarHBondContact O-N 3.46Å
399	G	68.8	Low	81.7	Confident	30 Å²	30	61.1 Å²	61.1	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-52.7	-49.9	-179	0	0	0	0	0	113	R402 H403	G399-R402 WeakPolarHBondContact O-CB 3.31Å; G399-R402 PolarHBondContact O-N 3.18Å; G399-H403 PolarHBondContact O-CE1 3.36Å; G399-H403 VanDerWaalsContact O-CE1 3.24Å; G399-H403 PolarHBondContact O-N 3.47Å; G399-H403 PolarHBondContact O-ND1 3.2Å
400	E	74.8	Confident	81.3	Confident	171 Å²	171	60.9 Å²	60.9	80%	0.799	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-44.3	-178.8	-58.3	-171.4	147.4	0	0	113.2	R398 R402 H403 L404	R398-E400 PolarHBondContact O-N 3.04Å; E400-R402 VanDerWaalsContact C-N 3.32Å; E400-R402 PolarHBondContact O-N 3.26Å; E400-H403 PolarHBondContact O-N 2.89Å; E400-H403 VanDerWaalsContact O-N 3.13Å; E400-L404 PolarHBondContact O-N 3.34Å
401	E	77.6	Confident	81	Confident	109 Å²	109	65 Å²	65	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.7	-64.2	172.9	151.3	0	0	111.2	V397 R398 H403 L404 A405	V397-E401 HydrophobicContact CG1-CB 3.68Å; R398-E401 HydrophobicContact CB-CG 4.38Å; R398-E401 WeakPolarHBondContact CB-OE2 3.15Å; R398-E401 PolarHBondContact N-OE2 2.98Å; R398-E401 PolarHBondContact O-N 3.45Å; E401-H403 VanDerWaalsContact C-N 3.33Å; E401-H403 PolarHBondContact O-N 2.94Å; E401-L404 PolarHBondContact O-N 3.31Å; E401-A405 PolarHBondContact O-N 2.92Å
402	R	79.7	Confident	80.7	Confident	30 Å²	30	67.5 Å²	67.5	11%	0.113	36%	0.359	C	S	.	.	H	α-helix	trans	-58.2	-42.2	173.6	-179.5	-179.9	-59.7	137.8	5.7	112	V393 D394 V397 R398 G399 E400 A405 I406 M428	V393-R402 HydrophobicContact CG1-CG 3.76Å; V393-R402 HydrophobicContact CG2-CG 4.21Å; D394-R402 PolarHBondContact O-NH2 3Å; V397-R402 HydrophobicContact CG1-CB 4.3Å; V397-R402 PolarHBondContact O-NH2 3.34Å; V397-R402 VanDerWaalsContact O-NH2 3.16Å; R398-R402 WeakPolarHBondContact O-CB 3.32Å; R398-R402 PolarHBondContact O-N 3.46Å; G399-R402 WeakPolarHBondContact O-CB 3.31Å; G399-R402 PolarHBondContact O-N 3.18Å; E400-R402 VanDerWaalsContact C-N 3.32Å; E400-R402 PolarHBondContact O-N 3.26Å; R402-A405 PolarHBondContact O-N 3.25Å; R402-I406 HydrophobicContact CG-CD1 4.3Å; R402-I406 WeakPolarHBondContact O-CD1 3.48Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.48Å; R402-I406 PolarHBondContact O-N 3.15Å; R402-I406 VanDerWaalsContact O-N 3.1Å; R402-M428 HydrophobicContact CG-CE 3.98Å; R402-M428 HydrophobicContact CG-SD 4.45Å
403	H	76.7	Confident	80.4	Confident	57 Å²	57	71.1 Å²	71.1	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-38.5	176.7	-64.7	106.5	0	0	0	112.5	S108 G399 E400 E401 I406 K407	S108-H403 WeakPolarHBondContact CB-NE2 3.38Å; S108-H403 PolarHBondContact OG-CD2 3.38Å; S108-H403 VanDerWaalsContact OG-CD2 3.29Å; S108-H403 PolarHBondContact OG-CE1 2.87Å; S108-H403 PolarHBondContact OG-NE2 3.5Å; G399-H403 PolarHBondContact O-CE1 3.36Å; G399-H403 VanDerWaalsContact O-CE1 3.24Å; G399-H403 PolarHBondContact O-N 3.47Å; G399-H403 PolarHBondContact O-ND1 3.2Å; E400-H403 PolarHBondContact O-N 2.89Å; E400-H403 VanDerWaalsContact O-N 3.13Å; E401-H403 VanDerWaalsContact C-N 3.33Å; E401-H403 PolarHBondContact O-N 2.94Å; H403-I406 PolarHBondContact O-N 3.49Å; H403-K407 WeakPolarHBondContact O-CB 3.34Å; H403-K407 PolarHBondContact O-N 3.48Å
404	L	82.1	Confident	80.5	Confident	104 Å²	104	71.6 Å²	71.6	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-44.7	175.1	-174.6	60.2	0	0	0	111.3	E400 E401 K407 N408	E400-L404 PolarHBondContact O-N 3.34Å; E401-L404 PolarHBondContact O-N 3.31Å; L404-K407 PolarHBondContact O-N 3.17Å; L404-N408 WeakPolarHBondContact O-CB 3.26Å; L404-N408 PolarHBondContact O-N 2.96Å; L404-N408 PolarHBondContact O-OD1 3.29Å
405	A	84.3	Confident	80.8	Confident	5 Å²	5	71.8 Å²	71.8	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-45.8	176.5	0	0	0	0	0	112.6	V393 E401 R402 K407 N408 F409 F417	V393-A405 HydrophobicContact CG2-CB 3.91Å; E401-A405 PolarHBondContact O-N 2.92Å; R402-A405 PolarHBondContact O-N 3.25Å; A405-K407 VanDerWaalsContact C-N 3.32Å; A405-K407 PolarHBondContact O-N 3.06Å; A405-N408 PolarHBondContact O-N 3.45Å; A405-F409 PolarHBondContact O-N 3.11Å; A405-F417 HydrophobicContact CB-CE2 4.27Å; A405-F417 HydrophobicContact CB-CZ 4.18Å
406	I	84	Confident	81.6	Confident	36 Å²	36	68.7 Å²	68.7	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-57.3	-47.1	174.3	-63.9	161.1	0	0	0	110.5	R402 H403 F409 G410 M428 L430	R402-I406 HydrophobicContact CG-CD1 4.3Å; R402-I406 WeakPolarHBondContact O-CD1 3.48Å; R402-I406 VanDerWaalsContact O-CG1 3.26Å; R402-I406 WeakPolarHBondContact O-CG1 3.48Å; R402-I406 PolarHBondContact O-N 3.15Å; R402-I406 VanDerWaalsContact O-N 3.1Å; H403-I406 PolarHBondContact O-N 3.49Å; I406-F409 PolarHBondContact O-N 3.13Å; I406-G410 PolarHBondContact O-N 3.38Å; I406-M428 HydrophobicContact CD1-CB 4.3Å; I406-M428 HydrophobicContact CD1-CE 3.57Å; I406-M428 HydrophobicContact CD1-CG 3.9Å; I406-M428 HydrophobicContact CD1-SD 4.48Å; I406-M428 HydrophobicContact CG1-CE 3.47Å; I406-M428 VanDerWaalsContact CG1-CE 3.47Å; I406-L430 HydrophobicContact CG2-CD2 4.39Å
407	K	84.2	Confident	82.6	Confident	122 Å²	122	64.1 Å²	64.1	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-40.6	-178.3	-174.2	174.9	-179.8	174.9	0	111.8	H403 L404 A405 G410 Q411	H403-K407 WeakPolarHBondContact O-CB 3.34Å; H403-K407 PolarHBondContact O-N 3.48Å; L404-K407 PolarHBondContact O-N 3.17Å; A405-K407 VanDerWaalsContact C-N 3.32Å; A405-K407 PolarHBondContact O-N 3.06Å; K407-G410 PolarHBondContact O-N 2.97Å; K407-Q411 HydrophobicContact CG-CG 4.46Å; K407-Q411 WeakPolarHBondContact O-CB 3.02Å; K407-Q411 WeakPolarHBondContact O-CG 3.11Å; K407-Q411 PolarHBondContact O-N 3.4Å
408	N	86.4	Confident	83.4	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-49.8	172.8	-72.9	-10.9	0	0	0	110.4	E391 L404 A405 G410 Q411 Q412 I414	E391-N408 WeakPolarHBondContact OE1-CB 3.42Å; E391-N408 PolarHBondContact OE1-ND2 2.9Å; L404-N408 WeakPolarHBondContact O-CB 3.26Å; L404-N408 PolarHBondContact O-N 2.96Å; L404-N408 PolarHBondContact O-OD1 3.29Å; A405-N408 PolarHBondContact O-N 3.45Å; N408-G410 VanDerWaalsContact C-N 3.31Å; N408-G410 PolarHBondContact O-N 3.4Å; N408-Q411 PolarHBondContact O-N 3.2Å; N408-Q411 VanDerWaalsContact O-N 3.13Å; N408-Q412 VanDerWaalsContact O-CB 3.29Å; N408-Q412 WeakPolarHBondContact O-CB 3.44Å; N408-Q412 PolarHBondContact O-N 3.06Å; N408-I414 HydrophobicContact CB-CD1 4.03Å
409	F	86.4	Confident	84.2	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-35.7	179.5	-173.8	-109.2	0	0	0	113.7	R365 L367 A405 I406 I414 F417 L430 A432 A433	R365-F409 HydrophobicContact CB-CZ 4.32Å; R365-F409 PolarHBondContact NH1-O 3.09Å; R365-F409 VanDerWaalsContact NH1-O 3.16Å; L367-F409 HydrophobicContact CD2-CE1 3.88Å; L367-F409 HydrophobicContact CD2-CZ 3.92Å; A405-F409 PolarHBondContact O-N 3.11Å; I406-F409 PolarHBondContact O-N 3.13Å; F409-I414 HydrophobicContact CD2-CB 4Å; F409-I414 HydrophobicContact CD2-CG2 4.01Å; F409-I414 HydrophobicContact CE2-CG2 4.46Å; F409-F417 HydrophobicContact CB-CD2 3.54Å; F409-F417 HydrophobicContact CB-CE2 3.67Å; F409-F417 HydrophobicContact CD1-CD2 4.17Å; F409-F417 HydrophobicContact CD2-CB 3.92Å; F409-F417 AromaticContact CD2-CD2 3.56Å; F409-F417 HydrophobicContact CD2-CD2 3.56Å; F409-F417 HydrophobicContact CD2-CG 4.15Å; F409-F417 HydrophobicContact CE2-CB 3.8Å; F409-F417 HydrophobicContact CE2-CD2 4.31Å; F409-F417 HydrophobicContact CE2-CG 4.48Å; F409-F417 HydrophobicContact CG-CB 4.36Å; F409-F417 AromaticContact CG-CD2 3.48Å; F409-F417 HydrophobicContact CG-CD2 3.48Å; F409-F417 VanDerWaalsContact CG-CD2 3.48Å; F409-F417 HydrophobicContact CG-CE2 4.1Å; F409-F417 HydrophobicContact CG-CG 4.19Å; F409-F417 HydrophobicContact CZ-CB 4.12Å; F409-L430 HydrophobicContact CD1-CD2 4.11Å; F409-A432 HydrophobicContact CD1-CB 4.23Å; F409-A432 HydrophobicContact CE1-CB 3.99Å; F409-A433 HydrophobicContact CE1-CB 4.05Å; F409-A433 HydrophobicContact CZ-CB 3.98Å
410	G	82.2	Confident	85.2	Confident	50 Å²	50	52.4 Å²	52.4	52%	0.515	27%	0.271	S	S	.	.	H	α-helix	trans	-71.2	-31.3	174.4	0	0	0	0	0	114.4	I406 K407 N408	I406-G410 PolarHBondContact O-N 3.38Å; K407-G410 PolarHBondContact O-N 2.97Å; N408-G410 VanDerWaalsContact C-N 3.31Å; N408-G410 PolarHBondContact O-N 3.4Å
411	Q	84.7	Confident	85.6	Confident	146 Å²	146	44.3 Å²	44.3	68%	0.682	23%	0.234	S	C	*	.	H	α-helix	trans	-102.2	-30.4	-172.5	-66.7	-173.8	-17.9	0	0	114.5	K407 N408	K407-Q411 HydrophobicContact CG-CG 4.46Å; K407-Q411 WeakPolarHBondContact O-CB 3.02Å; K407-Q411 WeakPolarHBondContact O-CG 3.11Å; K407-Q411 PolarHBondContact O-N 3.4Å; N408-Q411 PolarHBondContact O-N 3.2Å; N408-Q411 VanDerWaalsContact O-N 3.13Å
412	Q	83.9	Confident	85.6	Confident	96 Å²	96	48.4 Å²	48.4	45%	0.449	24%	0.244	S	C	.	.	S	Bend	trans	-102	156	-176.2	-57.9	-173.1	23.2	0	0	111.1	R365 N408 I414	R365-Q412 PolarHBondContact NH1-O 3.36Å; N408-Q412 VanDerWaalsContact O-CB 3.29Å; N408-Q412 WeakPolarHBondContact O-CB 3.44Å; N408-Q412 PolarHBondContact O-N 3.06Å; Q412-I414 HydrophobicContact CB-CD1 3.9Å; Q412-I414 HydrophobicContact CB-CG1 3.96Å; Q412-I414 PolarHBondContact O-N 3.08Å
413	P	83.3	Confident	85.2	Confident	112 Å²	112	47.5 Å²	47.5	73%	0.727	24%	0.243	S	C	*	.			trans	-80.4	61.9	175.6	34.9	-36	0	0	0	111
414	I	88.4	Confident	84.6	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.056	23%	0.231	C	C	.	.			trans	-84.5	129.8	177	-64.8	161.1	0	0	0	108.6	E391 N408 F409 Q412 V416	E391-I414 HydrophobicContact CG-CD1 3.71Å; E391-I414 HydrophobicContact CG-CG2 4.42Å; N408-I414 HydrophobicContact CB-CD1 4.03Å; F409-I414 HydrophobicContact CD2-CB 4Å; F409-I414 HydrophobicContact CD2-CG2 4.01Å; F409-I414 HydrophobicContact CE2-CG2 4.46Å; Q412-I414 HydrophobicContact CB-CD1 3.9Å; Q412-I414 HydrophobicContact CB-CG1 3.96Å; Q412-I414 PolarHBondContact O-N 3.08Å; I414-V416 WeakPolarHBondContact CG2-O 3.48Å
415	F	91.2	Very high	83.7	Confident	10 Å²	10	40 Å²	40	4%	0.044	21%	0.206	C	C	.	.			trans	-78.1	-49.3	-174.3	175.6	-131.1	0	0	0	112.3	L356 L359 Y360 H364 V366 Y388 S389	L356-F415 HydrophobicContact CB-CE1 4.41Å; L356-F415 HydrophobicContact CD2-CE1 4.11Å; L356-F415 HydrophobicContact CD2-CZ 4.14Å; L356-F415 WeakPolarHBondContact O-CZ 3.48Å; L359-F415 HydrophobicContact CB-CE2 4.31Å; L359-F415 HydrophobicContact CB-CZ 4.13Å; Y360-F415 HydrophobicContact CD2-CB 4.36Å; Y360-F415 AromaticContact CD2-CD1 3.63Å; Y360-F415 HydrophobicContact CD2-CD1 3.63Å; Y360-F415 AromaticContact CD2-CD2 3.84Å; Y360-F415 HydrophobicContact CD2-CD2 3.84Å; Y360-F415 AromaticContact CD2-CE1 3.8Å; Y360-F415 HydrophobicContact CD2-CE1 3.8Å; Y360-F415 HydrophobicContact CD2-CE2 4Å; Y360-F415 AromaticContact CD2-CG 3.68Å; Y360-F415 HydrophobicContact CD2-CG 3.68Å; Y360-F415 AromaticContact CD2-CZ 4Å; Y360-F415 HydrophobicContact CD2-CZ 4Å; Y360-F415 HydrophobicContact CE2-CB 4.42Å; Y360-F415 HydrophobicContact CE2-CD1 4.31Å; Y360-F415 HydrophobicContact CE2-CG 4.21Å; Y360-F415 HydrophobicContact CG-CE1 4.3Å; Y360-F415 HydrophobicContact CG-CZ 4.32Å; H364-F415 VanDerWaalsContact O-CD2 3.22Å; H364-F415 WeakPolarHBondContact O-CD2 3.32Å; H364-F415 WeakPolarHBondContact O-CE2 3.5Å; V366-F415 HydrophobicContact CG2-CE2 3.86Å; V366-F415 HydrophobicContact CG2-CZ 4.09Å; V366-F415 PolarHBondContact N-O 3.48Å; Y388-F415 AromaticContact CD1-CD1 3.76Å; Y388-F415 HydrophobicContact CD1-CD1 3.76Å; Y388-F415 AromaticContact CD1-CE1 3.95Å; Y388-F415 HydrophobicContact CD1-CE1 3.95Å; Y388-F415 HydrophobicContact CE1-CD1 4.37Å; Y388-F415 HydrophobicContact CE1-CE1 4.13Å; Y388-F415 HydrophobicContact CG-CD1 4.01Å; Y388-F415 HydrophobicContact CG-CE1 4.24Å; S389-F415 PolarHBondContact O-N 3.44Å; S389-F415 PolarHBondContact OG-N 3.3Å; S389-F415 VanDerWaalsContact OG-N 3.12Å
416	V	93	Very high	82.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.7	-175	168.9	0	0	0	0	111.8	L356 V366 L368 M383 S389 Y390 E391 I414 L418	L356-V416 HydrophobicContact CD2-CG2 4.2Å; V366-V416 HydrophobicContact CB-CG2 4.36Å; V366-V416 CarbonylContact O-C 3.57Å; V366-V416 WeakPolarHBondContact O-CA 3.29Å; L368-V416 HydrophobicContact CB-CG1 4.45Å; L368-V416 HydrophobicContact CD1-CG1 3.83Å; L368-V416 HydrophobicContact CD1-CG2 4.46Å; M383-V416 HydrophobicContact CE-CB 4.36Å; M383-V416 HydrophobicContact CE-CG1 3.87Å; M383-V416 HydrophobicContact CE-CG2 3.96Å; M383-V416 HydrophobicContact SD-CB 4.23Å; M383-V416 HydrophobicContact SD-CG1 4.25Å; M383-V416 HydrophobicContact SD-CG2 3.91Å; S389-V416 PolarHBondContact O-N 2.92Å; S389-V416 VanDerWaalsContact O-N 3.08Å; Y390-V416 VanDerWaalsContact CA-O 3.22Å; Y390-V416 WeakPolarHBondContact CA-O 3.06Å; E391-V416 PolarHBondContact N-O 3.45Å; I414-V416 WeakPolarHBondContact CG2-O 3.48Å; V416-L418 HydrophobicContact CG1-CD2 3.75Å; V416-L418 HydrophobicContact CG1-CG 4.03Å
417	F	92.9	Very high	81.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110.8	168.3	-158.5	-84.4	0	0	0	110	V366 L367 L368 E391 V393 A405 F409 L419	V366-F417 PolarHBondContact O-N 3.3Å; L367-F417 HydrophobicContact CD2-CB 3.72Å; L367-F417 HydrophobicContact CD2-CG 4.39Å; L368-F417 PolarHBondContact N-O 3.08Å; E391-F417 HydrophobicContact CB-CD2 3.55Å; E391-F417 HydrophobicContact CB-CE2 3.52Å; E391-F417 HydrophobicContact CB-CG 4.47Å; E391-F417 HydrophobicContact CB-CZ 4.43Å; E391-F417 HydrophobicContact CG-CD2 4.48Å; E391-F417 HydrophobicContact CG-CE2 4.33Å; V393-F417 HydrophobicContact CB-CE1 4.13Å; V393-F417 HydrophobicContact CB-CZ 4.4Å; V393-F417 HydrophobicContact CG2-CE1 3.87Å; V393-F417 HydrophobicContact CG2-CZ 3.64Å; A405-F417 HydrophobicContact CB-CE2 4.27Å; A405-F417 HydrophobicContact CB-CZ 4.18Å; F409-F417 HydrophobicContact CB-CD2 3.54Å; F409-F417 HydrophobicContact CB-CE2 3.67Å; F409-F417 HydrophobicContact CD1-CD2 4.17Å; F409-F417 HydrophobicContact CD2-CB 3.92Å; F409-F417 AromaticContact CD2-CD2 3.56Å; F409-F417 HydrophobicContact CD2-CD2 3.56Å; F409-F417 HydrophobicContact CD2-CG 4.15Å; F409-F417 HydrophobicContact CE2-CB 3.8Å; F409-F417 HydrophobicContact CE2-CD2 4.31Å; F409-F417 HydrophobicContact CE2-CG 4.48Å; F409-F417 HydrophobicContact CG-CB 4.36Å; F409-F417 AromaticContact CG-CD2 3.48Å; F409-F417 HydrophobicContact CG-CD2 3.48Å; F409-F417 VanDerWaalsContact CG-CD2 3.48Å; F409-F417 HydrophobicContact CG-CE2 4.1Å; F409-F417 HydrophobicContact CG-CG 4.19Å; F409-F417 HydrophobicContact CZ-CB 4.12Å; F417-L419 HydrophobicContact CD1-CD1 3.54Å; F417-L419 HydrophobicContact CD1-CD2 4.31Å; F417-L419 HydrophobicContact CD1-CG 3.61Å; F417-L419 HydrophobicContact CE1-CD1 3.9Å; F417-L419 HydrophobicContact CE1-CD2 3.9Å; F417-L419 HydrophobicContact CE1-CG 3.73Å
418	L	92.5	Very high	81.2	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.1	-178.8	-61.5	177	0	0	0	110	L368 L376 L379 Q380 Y390 E391 R392 V393 V416	L368-L418 HydrophobicContact CB-CD2 3.85Å; L368-L418 HydrophobicContact CD1-CD2 4.16Å; L376-L418 HydrophobicContact CD2-CB 4.41Å; L379-L418 HydrophobicContact CB-CD2 4.23Å; Q380-L418 HydrophobicContact CG-CD1 3.54Å; Y390-L418 HydrophobicContact CD2-CD1 4Å; Y390-L418 HydrophobicContact CG-CD1 4.43Å; E391-L418 PolarHBondContact O-N 3.41Å; R392-L418 CarbonylContact C-O 3.56Å; R392-L418 WeakPolarHBondContact CA-O 3.44Å; R392-L418 HydrophobicContact CB-CB 4.19Å; R392-L418 HydrophobicContact CG-CB 4.36Å; V393-L418 PolarHBondContact N-O 2.99Å; V416-L418 HydrophobicContact CG1-CD2 3.75Å; V416-L418 HydrophobicContact CG1-CG 4.03Å
419	L	91.1	Very high	80.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.3	-178	-83.8	154.2	0	0	0	111.1	L368 F369 S370 V393 F417 M428 L430	L368-L419 PolarHBondContact O-N 3.41Å; F369-L419 WeakPolarHBondContact CA-O 3.42Å; F369-L419 HydrophobicContact CD1-CB 3.5Å; F369-L419 HydrophobicContact CD1-CD1 4.35Å; F369-L419 HydrophobicContact CE1-CB 3.48Å; F369-L419 VanDerWaalsContact CE1-CB 3.48Å; F369-L419 HydrophobicContact CE1-CD1 3.52Å; F369-L419 HydrophobicContact CE1-CG 4.04Å; F369-L419 HydrophobicContact CG-CB 4.44Å; F369-L419 HydrophobicContact CZ-CB 4.41Å; F369-L419 HydrophobicContact CZ-CD1 3.71Å; S370-L419 PolarHBondContact N-O 1.99Å; S370-L419 VanDerWaalsContact N-O 3.08Å; V393-L419 HydrophobicContact CB-CD2 3.93Å; V393-L419 HydrophobicContact CG1-CD2 4.22Å; V393-L419 WeakPolarHBondContact O-CA 3.29Å; F417-L419 HydrophobicContact CD1-CD1 3.54Å; F417-L419 HydrophobicContact CD1-CD2 4.31Å; F417-L419 HydrophobicContact CD1-CG 3.61Å; F417-L419 HydrophobicContact CE1-CD1 3.9Å; F417-L419 HydrophobicContact CE1-CD2 3.9Å; F417-L419 HydrophobicContact CE1-CG 3.73Å; L419-M428 HydrophobicContact CD2-CE 4.18Å; L419-M428 HydrophobicContact CD2-SD 4.46Å; L419-L430 HydrophobicContact CD1-CD1 3.53Å
420	S	89.9	Confident	80.7	Confident	9 Å²	9	36 Å²	36	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.7	159	80.7	0	0	0	0	109.5	S370 V393 R422 A423 G424	S370-S420 CarbonylContact O-C 3.58Å; S370-S420 WeakPolarHBondContact O-CA 3.38Å; V393-S420 PolarHBondContact O-N 3.39Å; S420-R422 PolarHBondContact O-N 3.4Å; S420-R422 VanDerWaalsContact O-N 3.12Å; S420-A423 PolarHBondContact O-N 3.4Å; S420-A423 WeakPolarHBondContact OG-CB 3.32Å; S420-A423 PolarHBondContact OG-N 3.08Å; S420-G424 PolarHBondContact O-N 3.46Å
421	T	83.1	Confident	80.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-34.7	-178.1	-48.6	0	0	0	0	111.4	S370 G425 A451	S370-T421 PolarHBondContact O-N 3.07Å; S370-T421 PolarHBondContact O-OG1 3.33Å; T421-G425 PolarHBondContact O-N 2.83Å; T421-A451 HydrophobicContact CG2-CB 4.45Å
422	R	77.5	Confident	80.8	Confident	195 Å²	195	30.7 Å²	30.7	74%	0.736	17%	0.165	S	C	*	.	H	α-helix	trans	-67.9	-39.5	174.1	-64.5	-174.2	-178	-169.6	0	113.9	S420 V426	S420-R422 PolarHBondContact O-N 3.4Å; S420-R422 VanDerWaalsContact O-N 3.12Å; R422-V426 VanDerWaalsContact O-CG2 3.29Å; R422-V426 WeakPolarHBondContact O-CG2 3.45Å
423	A	71.4	Confident	81	Confident	11 Å²	11	26.1 Å²	26.1	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-74.6	-44.8	177.9	0	0	0	0	0	111.2	V393 S420 G425 V426	V393-A423 HydrophobicContact CG1-CB 4.39Å; S420-A423 PolarHBondContact O-N 3.4Å; S420-A423 WeakPolarHBondContact OG-CB 3.32Å; S420-A423 PolarHBondContact OG-N 3.08Å; A423-G425 VanDerWaalsContact C-N 3.32Å; A423-G425 PolarHBondContact O-N 3.01Å; A423-V426 PolarHBondContact O-N 2.93Å; A423-V426 VanDerWaalsContact O-N 3.15Å
424	G	64.9	Low	81.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.3	-23.1	178.6	0	0	0	0	0	114.7	S420 V426 R454	S420-G424 PolarHBondContact O-N 3.46Å; G424-V426 PolarHBondContact O-N 3.11Å; G424-R454 WeakPolarHBondContact O-CD 3.45Å; G424-R454 WeakPolarHBondContact O-CG 3.41Å; G424-R454 PolarHBondContact O-NE 3.36Å
425	G	63	Low	81.4	Confident	3 Å²	3	20.3 Å²	20.3	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.8	168.2	0	0	0	0	0	112.3	T421 A423 G427 Q450 R454	T421-G425 PolarHBondContact O-N 2.83Å; A423-G425 VanDerWaalsContact C-N 3.32Å; A423-G425 PolarHBondContact O-N 3.01Å; G425-G427 PolarHBondContact O-N 3.14Å; G425-G427 VanDerWaalsContact O-N 3.12Å; G425-Q450 WeakPolarHBondContact O-CG 3.5Å; G425-Q450 PolarHBondContact O-NE2 3.23Å; G425-Q450 PolarHBondContact O-OE1 3.31Å; G425-R454 PolarHBondContact O-NE 3.13Å; G425-R454 PolarHBondContact O-NH2 2.85Å
426	V	62.9	Low	81.4	Confident	44 Å²	44	19.8 Å²	19.8	27%	0.267	10%	0.104	S	C	.	.	S	Bend	trans	-91.5	79.8	-170.7	-147	0	0	0	0	113	P103 S105 R422 A423 G424 M428	P103-V426 HydrophobicContact CB-CG1 3.7Å; P103-V426 HydrophobicContact CG-CG1 4.19Å; S105-V426 WeakPolarHBondContact CB-O 3.39Å; S105-V426 VanDerWaalsContact OG-CB 3.27Å; S105-V426 WeakPolarHBondContact OG-CB 3.34Å; S105-V426 WeakPolarHBondContact OG-CG1 3.41Å; S105-V426 PolarHBondContact OG-O 3.04Å; R422-V426 VanDerWaalsContact O-CG2 3.29Å; R422-V426 WeakPolarHBondContact O-CG2 3.45Å; A423-V426 PolarHBondContact O-N 2.93Å; A423-V426 VanDerWaalsContact O-N 3.15Å; G424-V426 PolarHBondContact O-N 3.11Å; V426-M428 PolarHBondContact O-N 3.18Å
427	G	61.7	Low	81.4	Confident	7 Å²	7	19.8 Å²	19.8	7%	0.072	10%	0.104	C	C	.	.	S	Bend	trans	86.6	-10.5	146.8	0	0	0	0	0	119.4	G425 R454	G425-G427 PolarHBondContact O-N 3.14Å; G425-G427 VanDerWaalsContact O-N 3.12Å; G427-R454 VanDerWaalsContact C-NH1 3.27Å; G427-R454 VanDerWaalsContact CA-CZ 3.43Å; G427-R454 VanDerWaalsContact N-NH2 3.1Å
428	M	74.4	Confident	81.4	Confident	7 Å²	7	19.8 Å²	19.8	3%	0.034	10%	0.104	C	C	.	.			trans	-69.3	160.1	-173.2	-61.5	157.2	73.3	0	0	113.2	V393 R402 I406 L419 V426 R454	V393-M428 HydrophobicContact CB-CE 4.35Å; V393-M428 HydrophobicContact CG1-CE 3.99Å; V393-M428 HydrophobicContact CG1-SD 4.49Å; V393-M428 HydrophobicContact CG2-CE 4.26Å; R402-M428 HydrophobicContact CG-CE 3.98Å; R402-M428 HydrophobicContact CG-SD 4.45Å; I406-M428 HydrophobicContact CD1-CB 4.3Å; I406-M428 HydrophobicContact CD1-CE 3.57Å; I406-M428 HydrophobicContact CD1-CG 3.9Å; I406-M428 HydrophobicContact CD1-SD 4.48Å; I406-M428 HydrophobicContact CG1-CE 3.47Å; I406-M428 VanDerWaalsContact CG1-CE 3.47Å; L419-M428 HydrophobicContact CD2-CE 4.18Å; L419-M428 HydrophobicContact CD2-SD 4.46Å; V426-M428 PolarHBondContact O-N 3.18Å; M428-R454 WeakPolarHBondContact O-CD 3.03Å; M428-R454 PolarHBondContact O-NH1 2.84Å
429	N	78.8	Confident	81.4	Confident	50 Å²	50	19.8 Å²	19.8	27%	0.267	10%	0.104	S	C	.	.			trans	-113.2	116.3	175.3	-75.8	-32.1	0	0	0	109.9	N109 R457	N109-N429 PolarHBondContact OD1-ND2 2.85Å; N429-R457 WeakPolarHBondContact OD1-CD 3.41Å; N429-R457 PolarHBondContact OD1-NE 2.83Å; N429-R457 PolarHBondContact OD1-NH1 2.91Å
430	L	83.4	Confident	81.3	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.016	10%	0.104	C	C	.	.			trans	-132.5	42.2	-172.8	-63.4	171.8	0	0	0	111.8	L367 I406 F409 L419 A432 A433 R454	L367-L430 HydrophobicContact CD1-CB 3.9Å; L367-L430 HydrophobicContact CD1-CD1 3.9Å; L367-L430 HydrophobicContact CD2-CB 4.35Å; L367-L430 HydrophobicContact CD2-CD1 4.18Å; I406-L430 HydrophobicContact CG2-CD2 4.39Å; F409-L430 HydrophobicContact CD1-CD2 4.11Å; L419-L430 HydrophobicContact CD1-CD1 3.53Å; L430-A432 PolarHBondContact O-N 2.88Å; L430-A432 VanDerWaalsContact O-N 3.12Å; L430-A433 PolarHBondContact O-N 3.03Å; L430-R454 CarbonylContact C-O 3.58Å; L430-R454 HydrophobicContact CB-CB 4.44Å; L430-R454 HydrophobicContact CD1-CB 4.38Å; L430-R454 PolarHBondContact N-O 3.5Å
431	T	83.6	Confident	81	Confident	49 Å²	49	20 Å²	20	30%	0.301	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.9	-178.6	52.2	0	0	0	0	114.4	A433 R457 Q460	T431-A433 VanDerWaalsContact C-N 3.27Å; T431-A433 PolarHBondContact O-N 2.88Å; T431-R457 HydrophobicContact CG2-CB 4.24Å; T431-Q460 PolarHBondContact O-NE2 2.9Å
432	A	85.7	Confident	81	Confident	36 Å²	36	20.8 Å²	20.8	30%	0.298	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.3	174.5	0	0	0	0	0	113.5	R365 F409 L430	R365-A432 WeakPolarHBondContact CD-O 3.36Å; F409-A432 HydrophobicContact CD1-CB 4.23Å; F409-A432 HydrophobicContact CE1-CB 3.99Å; L430-A432 PolarHBondContact O-N 2.88Å; L430-A432 VanDerWaalsContact O-N 3.12Å
433	A	88.4	Confident	81	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.			trans	-89.7	143	176.2	0	0	0	0	0	112	L367 F409 L430 T431 Q460	L367-A433 HydrophobicContact CD1-CB 4.11Å; L367-A433 HydrophobicContact CD2-CB 3.63Å; L367-A433 HydrophobicContact CG-CB 3.49Å; L367-A433 VanDerWaalsContact CG-CB 3.49Å; F409-A433 HydrophobicContact CE1-CB 4.05Å; F409-A433 HydrophobicContact CZ-CB 3.98Å; L430-A433 PolarHBondContact O-N 3.03Å; T431-A433 VanDerWaalsContact C-N 3.27Å; T431-A433 PolarHBondContact O-N 2.88Å; A433-Q460 PolarHBondContact O-NE2 3.18Å
434	D	89.4	Confident	81.3	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.099	C	C	.	.	S	Bend	trans	-109.7	-17.4	173.7	53.5	18.6	0	0	0	113	H364 R365 K462 V464 K465	H364-D434 WeakPolarHBondContact CB-OD1 3.39Å; H364-D434 IonicContact CE1-OD2 2.72Å; H364-D434 IonicContact CG-OD1 2.65Å; H364-D434 IonicContact CG-OD2 2.62Å; H364-D434 IonicContact ND1-OD1 2.69Å; H364-D434 PolarHBondContact ND1-OD1 3.49Å; H364-D434 IonicContact ND1-OD2 3.1Å; H364-D434 PolarHBondContact ND1-OD2 3.04Å; R365-D434 PolarHBondContact N-OD1 3.07Å; R365-D434 PolarHBondContact O-N 3.4Å; R365-D434 VanDerWaalsContact O-N 3.14Å; R365-D434 VanDerWaalsContact O-OD1 3.11Å; D434-K462 HydrophobicContact CB-CB 3.98Å; D434-K462 HydrophobicContact CB-CD 3.67Å; D434-K462 WeakPolarHBondContact OD2-CD 3.48Å; D434-K462 IonicContact OD2-NZ 2.67Å; D434-K462 PolarHBondContact OD2-NZ 2.89Å; D434-V464 VanDerWaalsContact O-CA 3.28Å; D434-V464 WeakPolarHBondContact O-CA 3.34Å; D434-K465 PolarHBondContact O-N 2.92Å
435	T	90.1	Very high	81.9	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.3	-177.5	-49.9	0	0	0	0	110	L359 R365 V366 L367 I437 K465 I467 W550	L359-T435 HydrophobicContact CD1-CG2 3.93Å; L359-T435 HydrophobicContact CD2-CG2 4.07Å; R365-T435 PolarHBondContact O-N 3.05Å; R365-T435 VanDerWaalsContact O-N 3.11Å; V366-T435 CarbonylContact C-O 3.53Å; V366-T435 WeakPolarHBondContact CA-O 3.45Å; L367-T435 PolarHBondContact N-O 2.86Å; T435-I437 HydrophobicContact CG2-CG1 4.41Å; T435-K465 WeakPolarHBondContact CA-O 3.35Å; T435-I467 HydrophobicContact CG2-CD1 4.01Å; T435-W550 PolarHBondContact OG1-NE1 3.27Å
436	V	92.2	Very high	82.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.4	178.5	175.2	0	0	0	0	108.2	L367 F369 F438 A455 V464 K465 V466 I467	L367-V436 HydrophobicContact CB-CG2 4.39Å; L367-V436 HydrophobicContact CD1-CG2 4.3Å; F369-V436 HydrophobicContact CD2-CG1 3.7Å; F369-V436 HydrophobicContact CE2-CG1 3.64Å; V436-F438 HydrophobicContact CG1-CD2 4.25Å; V436-F438 HydrophobicContact CG1-CE2 3.7Å; V436-F438 HydrophobicContact CG1-CZ 4.09Å; V436-A455 HydrophobicContact CG2-CB 3.75Å; V436-V464 HydrophobicContact CG2-CG1 4.37Å; V436-K465 PolarHBondContact N-O 2.86Å; V436-V466 HydrophobicContact CB-CG2 4.34Å; V436-V466 HydrophobicContact CG1-CG1 4.44Å; V436-V466 CarbonylContact O-C 3.25Å; V436-V466 WeakPolarHBondContact O-CA 3.19Å; V436-I467 PolarHBondContact O-N 2.81Å
437	I	93.1	Very high	83.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.7	177.6	-54.8	176.2	0	0	0	109	L352 L355 L356 L359 V366 L367 L368 F369 T435 I467 L469	L352-I437 HydrophobicContact CD1-CD1 4.06Å; L352-I437 HydrophobicContact CD1-CG2 4.39Å; L355-I437 HydrophobicContact CD2-CD1 3.71Å; L355-I437 HydrophobicContact CD2-CG1 4.42Å; L355-I437 HydrophobicContact CG-CD1 4.29Å; L356-I437 HydrophobicContact CD2-CD1 4.37Å; L359-I437 HydrophobicContact CD1-CD1 3.93Å; V366-I437 HydrophobicContact CG1-CD1 3.49Å; V366-I437 VanDerWaalsContact CG1-CD1 3.49Å; V366-I437 HydrophobicContact CG1-CG1 3.78Å; L367-I437 PolarHBondContact O-N 3.03Å; L368-I437 HydrophobicContact CD2-CB 3.67Å; L368-I437 HydrophobicContact CD2-CD1 4.33Å; L368-I437 HydrophobicContact CD2-CG2 3.7Å; L368-I437 HydrophobicContact CG-CB 4.26Å; F369-I437 PolarHBondContact N-O 2.93Å; T435-I437 HydrophobicContact CG2-CG1 4.41Å; I437-I467 CarbonylContact C-O 3.57Å; I437-I467 WeakPolarHBondContact CA-O 3.15Å; I437-I467 HydrophobicContact CG1-CB 4.27Å; I437-I467 HydrophobicContact CG1-CD1 4.44Å; I437-L469 HydrophobicContact CG2-CD1 4.13Å; I437-L469 HydrophobicContact CG2-CG 4.1Å
438	F	92.6	Very high	84.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.8	165.6	-67.7	-82.7	0	0	0	108.8	F369 V436 D448 A451 A452 V466 I467 R468 L469	F369-F438 HydrophobicContact CB-CD1 3.68Å; F369-F438 HydrophobicContact CB-CE1 3.84Å; F369-F438 HydrophobicContact CD2-CD1 4.38Å; F369-F438 AromaticContact CD2-CE1 3.92Å; F369-F438 HydrophobicContact CD2-CE1 3.92Å; F369-F438 HydrophobicContact CD2-CZ 4.12Å; F369-F438 HydrophobicContact CG-CD1 4.29Å; F369-F438 AromaticContact CG-CE1 3.95Å; F369-F438 HydrophobicContact CG-CE1 3.95Å; V436-F438 HydrophobicContact CG1-CD2 4.25Å; V436-F438 HydrophobicContact CG1-CE2 3.7Å; V436-F438 HydrophobicContact CG1-CZ 4.09Å; F438-D448 HydrophobicContact CD1-CB 4.36Å; F438-D448 HydrophobicContact CE1-CB 3.81Å; F438-D448 HydrophobicContact CZ-CB 3.94Å; F438-D448 VanDerWaalsContact CZ-O 3.26Å; F438-D448 WeakPolarHBondContact CZ-O 3.2Å; F438-A451 HydrophobicContact CE1-CB 4.05Å; F438-A451 HydrophobicContact CZ-CB 4.11Å; F438-A452 HydrophobicContact CE2-CB 4.26Å; F438-A452 HydrophobicContact CZ-CB 4.22Å; F438-V466 HydrophobicContact CD2-CG1 3.9Å; F438-V466 HydrophobicContact CE2-CG1 3.65Å; F438-I467 PolarHBondContact N-O 2.98Å; F438-R468 HydrophobicContact CB-CG 4.25Å; F438-R468 HydrophobicContact CD2-CG 4.08Å; F438-L469 PolarHBondContact O-N 3.37Å
439	V	91.5	Very high	84.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-70.1	-44.8	175	-178.6	0	0	0	0	109.4	K348 L368 F369 M375 L379	K348-V439 HydrophobicContact CD-CG1 3.64Å; K348-V439 WeakPolarHBondContact CD-O 3.19Å; K348-V439 WeakPolarHBondContact CE-O 3.39Å; K348-V439 HydrophobicContact CG-CG1 4.46Å; K348-V439 PolarHBondContact NZ-O 2.9Å; L368-V439 HydrophobicContact CD2-CG2 3.45Å; L368-V439 VanDerWaalsContact CD2-CG2 3.45Å; F369-V439 WeakPolarHBondContact O-CB 3.41Å; F369-V439 PolarHBondContact O-N 3.3Å; M375-V439 HydrophobicContact CE-CG1 4.22Å; M375-V439 HydrophobicContact CG-CG1 4.32Å; L379-V439 HydrophobicContact CD1-CG2 4.17Å
440	D	88.9	Confident	84.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-138.1	147.4	174.7	72.2	-64	0	0	0	111.1	R319 S370 Q371	R319-D440 IonicContact CZ-OD2 3.05Å; R319-D440 IonicContact NH2-OD2 2.91Å; R319-D440 PolarHBondContact NH2-OD2 3.05Å; S370-D440 WeakPolarHBondContact CA-OD1 3.34Å; S370-D440 VanDerWaalsContact CB-OD1 3.25Å; S370-D440 WeakPolarHBondContact CB-OD1 3.45Å; S370-D440 PolarHBondContact OG-OD1 3.29Å; Q371-D440 WeakPolarHBondContact CB-OD2 3.44Å; Q371-D440 WeakPolarHBondContact CG-OD2 3.36Å; Q371-D440 PolarHBondContact N-OD1 3.47Å; Q371-D440 PolarHBondContact N-OD2 3.38Å
441	S	84.3	Confident	84.6	Confident	12 Å²	12	19.9 Å²	19.9	8%	0.084	11%	0.108	C	C	.	.			trans	-95.8	147.9	-172.3	-63.5	0	0	0	0	112.9	R319	R319-S441 PolarHBondContact NH1-O 2.97Å; R319-S441 PolarHBondContact NH2-O 3.01Å
442	D	83.4	Confident	84.6	Confident	19 Å²	19	17.9 Å²	17.9	10%	0.102	10%	0.097	C	C	.	.			trans	-75.6	156.8	171.3	-153.3	-50	0	0	0	111.6	Q371 N444 N447 D448	Q371-D442 VanDerWaalsContact NE2-CB 3.26Å; Q371-D442 VanDerWaalsContact NE2-CG 3.26Å; Q371-D442 PolarHBondContact NE2-OD2 3.44Å; D442-N444 PolarHBondContact OD1-N 3.02Å; D442-N447 HydrophobicContact CB-CB 4.31Å; D442-N447 PolarHBondContact OD2-ND2 3.44Å; D442-D448 WeakPolarHBondContact CB-OD1 3.11Å; D442-D448 PolarHBondContact N-OD2 3.5Å
443	F	77.4	Confident	84.3	Confident	90 Å²	90	16.5 Å²	16.5	40%	0.395	9%	0.085	S	C	.	.	S	Bend	trans	-71.7	-21	164.9	-68.4	-88.1	0	0	0	112.2	L315 V479	L315-F443 HydrophobicContact CD1-CZ 4.37Å; L315-F443 HydrophobicContact CD2-CE1 4.07Å; L315-F443 HydrophobicContact CD2-CZ 3.69Å; L315-F443 HydrophobicContact CG-CZ 4.1Å; F443-V479 HydrophobicContact CD1-CG1 3.81Å; F443-V479 HydrophobicContact CD1-CG2 4.14Å; F443-V479 HydrophobicContact CE1-CB 4.4Å; F443-V479 HydrophobicContact CE1-CG1 3.98Å; F443-V479 HydrophobicContact CE1-CG2 3.51Å; F443-V479 HydrophobicContact CG-CG1 4.21Å; F443-V479 HydrophobicContact CZ-CG1 4.49Å; F443-V479 HydrophobicContact CZ-CG2 3.98Å
444	N	77.9	Confident	84	Confident	38 Å²	38	16.9 Å²	16.9	20%	0.203	9%	0.087	C	C	.	.	S	Bend	trans	-102.1	103.1	171.5	-174.9	19.7	0	0	0	111.2	D442 Q446 N447	D442-N444 PolarHBondContact OD1-N 3.02Å; N444-Q446 PolarHBondContact O-N 2.86Å; N444-Q446 PolarHBondContact OD1-N 3.09Å; N444-N447 PolarHBondContact ND2-OD1 3.22Å; N444-N447 WeakPolarHBondContact O-CB 3.2Å; N444-N447 PolarHBondContact O-N 2.85Å
445	P	77.6	Confident	83.7	Confident	10 Å²	10	16.8 Å²	16.8	7%	0.065	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-22.1	-179.3	27.4	-37.6	0	0	0	113.4	N447 D448 L449 A483 K486 L487	P445-N447 VanDerWaalsContact C-N 3.3Å; P445-N447 PolarHBondContact O-N 2.82Å; P445-D448 PolarHBondContact O-N 2.92Å; P445-L449 WeakPolarHBondContact O-CB 3.44Å; P445-L449 PolarHBondContact O-N 2.85Å; P445-A483 HydrophobicContact CB-CB 4.1Å; P445-A483 HydrophobicContact CG-CB 4.34Å; P445-A483 WeakPolarHBondContact CG-O 3.47Å; P445-K486 HydrophobicContact CG-CB 4.45Å; P445-L487 HydrophobicContact CB-CB 4.22Å; P445-L487 HydrophobicContact CB-CD1 4.05Å; P445-L487 HydrophobicContact CG-CB 4.12Å
446	Q	75.7	Confident	83.3	Confident	21 Å²	21	17.9 Å²	17.9	10%	0.098	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-31.1	178.6	-60.3	174	-2.4	0	0	112	Q207 N444 L449 Q450	Q207-Q446 VanDerWaalsContact CG-OE1 3.23Å; N444-Q446 PolarHBondContact O-N 2.86Å; N444-Q446 PolarHBondContact OD1-N 3.09Å; Q446-L449 PolarHBondContact O-N 2.87Å; Q446-Q450 WeakPolarHBondContact O-CB 3.44Å; Q446-Q450 PolarHBondContact O-N 2.88Å
447	N	79.6	Confident	82.7	Confident	47 Å²	47	19.3 Å²	19.3	25%	0.251	10%	0.097	S	C	.	.	H	α-helix	trans	-66.3	-44.9	176.2	-65.6	-1.9	0	0	0	110.5	D442 N444 P445 Q450 A451	D442-N447 HydrophobicContact CB-CB 4.31Å; D442-N447 PolarHBondContact OD2-ND2 3.44Å; N444-N447 PolarHBondContact ND2-OD1 3.22Å; N444-N447 WeakPolarHBondContact O-CB 3.2Å; N444-N447 PolarHBondContact O-N 2.85Å; P445-N447 VanDerWaalsContact C-N 3.3Å; P445-N447 PolarHBondContact O-N 2.82Å; N447-Q450 PolarHBondContact O-N 3.4Å; N447-A451 WeakPolarHBondContact O-CB 3.24Å; N447-A451 PolarHBondContact O-N 3.48Å
448	D	83.1	Confident	81.7	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-67.7	-40.1	177.2	-62.8	-6.9	0	0	0	111.4	F438 D442 P445 Q450 A451 A452 R468	F438-D448 HydrophobicContact CD1-CB 4.36Å; F438-D448 HydrophobicContact CE1-CB 3.81Å; F438-D448 HydrophobicContact CZ-CB 3.94Å; F438-D448 VanDerWaalsContact CZ-O 3.26Å; F438-D448 WeakPolarHBondContact CZ-O 3.2Å; D442-D448 WeakPolarHBondContact CB-OD1 3.11Å; D442-D448 PolarHBondContact N-OD2 3.5Å; P445-D448 PolarHBondContact O-N 2.92Å; D448-Q450 VanDerWaalsContact C-N 3.33Å; D448-Q450 PolarHBondContact O-N 2.94Å; D448-A451 PolarHBondContact O-N 2.95Å; D448-A452 WeakPolarHBondContact O-CB 3.42Å; D448-A452 PolarHBondContact O-N 3.08Å; D448-R468 VanDerWaalsContact CB-NH2 3.34Å; D448-R468 IonicContact OD2-CZ 3.83Å; D448-R468 IonicContact OD2-NH1 2.81Å; D448-R468 PolarHBondContact OD2-NH1 3.22Å; D448-R468 IonicContact OD2-NH2 3.79Å
449	L	79.6	Confident	80.7	Confident	61 Å²	61	24 Å²	24	32%	0.319	13%	0.134	S	C	.	.	H	α-helix	trans	-62.7	-40.8	174.5	-177.2	64	0	0	0	111.4	P445 Q446 A451 A452 A453	P445-L449 WeakPolarHBondContact O-CB 3.44Å; P445-L449 PolarHBondContact O-N 2.85Å; Q446-L449 PolarHBondContact O-N 2.87Å; L449-A451 VanDerWaalsContact C-N 3.32Å; L449-A451 PolarHBondContact O-N 3.07Å; L449-A452 PolarHBondContact O-N 2.86Å; L449-A453 VanDerWaalsContact O-CB 3.26Å; L449-A453 WeakPolarHBondContact O-CB 3.27Å; L449-A453 PolarHBondContact O-N 3.12Å
450	Q	79.9	Confident	80.2	Confident	31 Å²	31	24.6 Å²	24.6	15%	0.145	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-34.7	174.7	175.7	177.1	53.1	0	0	112.2	M73 E175 G425 Q446 N447 D448 R454	M73-Q450 HydrophobicContact CE-CG 3.79Å; M73-Q450 HydrophobicContact SD-CB 3.82Å; M73-Q450 HydrophobicContact SD-CG 3.58Å; M73-Q450 VanDerWaalsContact SD-CG 3.58Å; E175-Q450 PolarHBondContact OE1-NE2 3.18Å; G425-Q450 WeakPolarHBondContact O-CG 3.5Å; G425-Q450 PolarHBondContact O-NE2 3.23Å; G425-Q450 PolarHBondContact O-OE1 3.31Å; Q446-Q450 WeakPolarHBondContact O-CB 3.44Å; Q446-Q450 PolarHBondContact O-N 2.88Å; N447-Q450 PolarHBondContact O-N 3.4Å; D448-Q450 VanDerWaalsContact C-N 3.33Å; D448-Q450 PolarHBondContact O-N 2.94Å; Q450-R454 WeakPolarHBondContact O-CG 3.19Å; Q450-R454 PolarHBondContact O-NE 3.23Å
451	A	83	Confident	79.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.2	-44.6	173.9	0	0	0	0	0	112.3	F369 T421 F438 N447 D448 L449 A453 R454	F369-A451 HydrophobicContact CD1-CB 4.12Å; F369-A451 HydrophobicContact CE1-CB 3.82Å; F369-A451 HydrophobicContact CE2-CB 4.26Å; F369-A451 HydrophobicContact CG-CB 4.47Å; F369-A451 HydrophobicContact CZ-CB 3.9Å; T421-A451 HydrophobicContact CG2-CB 4.45Å; F438-A451 HydrophobicContact CE1-CB 4.05Å; F438-A451 HydrophobicContact CZ-CB 4.11Å; N447-A451 WeakPolarHBondContact O-CB 3.24Å; N447-A451 PolarHBondContact O-N 3.48Å; D448-A451 PolarHBondContact O-N 2.95Å; L449-A451 VanDerWaalsContact C-N 3.32Å; L449-A451 PolarHBondContact O-N 3.07Å; A451-A453 VanDerWaalsContact C-N 3.31Å; A451-A453 PolarHBondContact O-N 3.19Å; A451-R454 WeakPolarHBondContact O-CB 3.29Å; A451-R454 WeakPolarHBondContact O-CG 3.29Å; A451-R454 PolarHBondContact O-N 2.92Å; A451-R454 VanDerWaalsContact O-N 3.09Å
452	A	83.9	Confident	79.6	Confident	7 Å²	7	33.9 Å²	33.9	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-35.7	175.4	0	0	0	0	0	112.3	F438 D448 L449 R454 A455 H456 V466	F438-A452 HydrophobicContact CE2-CB 4.26Å; F438-A452 HydrophobicContact CZ-CB 4.22Å; D448-A452 WeakPolarHBondContact O-CB 3.42Å; D448-A452 PolarHBondContact O-N 3.08Å; L449-A452 PolarHBondContact O-N 2.86Å; A452-R454 PolarHBondContact O-N 2.95Å; A452-A455 PolarHBondContact O-N 3.19Å; A452-H456 PolarHBondContact O-N 3.08Å; A452-V466 HydrophobicContact CB-CG2 4.23Å
453	A	79.4	Confident	79.5	Confident	7 Å²	7	33.7 Å²	33.7	6%	0.058	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.1	174.2	0	0	0	0	0	114.4	M73 L449 A451	M73-A453 HydrophobicContact CB-CB 4.06Å; L449-A453 VanDerWaalsContact O-CB 3.26Å; L449-A453 WeakPolarHBondContact O-CB 3.27Å; L449-A453 PolarHBondContact O-N 3.12Å; A451-A453 VanDerWaalsContact C-N 3.31Å; A451-A453 PolarHBondContact O-N 3.19Å
454	R	81.3	Confident	79.9	Confident	8 Å²	8	29.4 Å²	29.4	3%	0.03	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-31.6	172	-54.4	-68.2	155.2	-154.7	0.9	112.7	G424 G425 G427 M428 L430 Q450 A451 A452	G424-R454 WeakPolarHBondContact O-CD 3.45Å; G424-R454 WeakPolarHBondContact O-CG 3.41Å; G424-R454 PolarHBondContact O-NE 3.36Å; G425-R454 PolarHBondContact O-NE 3.13Å; G425-R454 PolarHBondContact O-NH2 2.85Å; G427-R454 VanDerWaalsContact C-NH1 3.27Å; G427-R454 VanDerWaalsContact CA-CZ 3.43Å; G427-R454 VanDerWaalsContact N-NH2 3.1Å; M428-R454 WeakPolarHBondContact O-CD 3.03Å; M428-R454 PolarHBondContact O-NH1 2.84Å; L430-R454 CarbonylContact C-O 3.58Å; L430-R454 HydrophobicContact CB-CB 4.44Å; L430-R454 HydrophobicContact CD1-CB 4.38Å; L430-R454 PolarHBondContact N-O 3.5Å; Q450-R454 WeakPolarHBondContact O-CG 3.19Å; Q450-R454 PolarHBondContact O-NE 3.23Å; A451-R454 WeakPolarHBondContact O-CB 3.29Å; A451-R454 WeakPolarHBondContact O-CG 3.29Å; A451-R454 PolarHBondContact O-N 2.92Å; A451-R454 VanDerWaalsContact O-N 3.09Å; A452-R454 PolarHBondContact O-N 2.95Å
455	A	82.9	Confident	80.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-40.1	172	0	0	0	0	0	111.8	L367 V436 A452 R457 Q460 V464	L367-A455 HydrophobicContact CD1-CB 3.95Å; V436-A455 HydrophobicContact CG2-CB 3.75Å; A452-A455 PolarHBondContact O-N 3.19Å; A455-R457 VanDerWaalsContact C-N 3.28Å; A455-R457 PolarHBondContact O-N 3.45Å; A455-Q460 PolarHBondContact O-NE2 2.96Å; A455-Q460 VanDerWaalsContact O-NE2 3.15Å; A455-V464 HydrophobicContact CB-CG1 4.45Å
456	H	81.7	Confident	81	Confident	23 Å²	23	28 Å²	28	11%	0.106	16%	0.155	C	C	.	.	S	Bend	trans	-85.3	67	175.6	-167.3	-110.8	0	0	0	111.7	K263 L270 P271 K273 A452 V464	K263-H456 PolarHBondContact NZ-O 3.33Å; L270-H456 WeakPolarHBondContact CD2-CE1 3.43Å; P271-H456 PolarHBondContact O-NE2 3Å; K273-H456 PolarHBondContact N-NE2 3.46Å; A452-H456 PolarHBondContact O-N 3.08Å; H456-V464 HydrophobicContact CB-CB 4.48Å; H456-V464 HydrophobicContact CB-CG1 4.43Å; H456-V464 HydrophobicContact CB-CG2 4.4Å
457	R	79.3	Confident	81.7	Confident	30 Å²	30	27 Å²	27	11%	0.113	15%	0.15	C	C	.	.	S	Bend	trans	-127.6	156.4	179.5	-176.4	163	-179	168.8	1.1	110.7	N429 T431 A455 G459 Q460	N429-R457 WeakPolarHBondContact OD1-CD 3.41Å; N429-R457 PolarHBondContact OD1-NE 2.83Å; N429-R457 PolarHBondContact OD1-NH1 2.91Å; T431-R457 HydrophobicContact CG2-CB 4.24Å; A455-R457 VanDerWaalsContact C-N 3.28Å; A455-R457 PolarHBondContact O-N 3.45Å; R457-G459 PolarHBondContact O-N 2.86Å; R457-Q460 WeakPolarHBondContact O-CB 3.26Å; R457-Q460 PolarHBondContact O-N 2.66Å
458	I	71.7	Confident	82.2	Confident	47 Å²	47	25.8 Å²	25.8	24%	0.241	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.9	171.8	-61	177	0	0	0	109.5	Y49 G74 L75	Y49-I458 WeakPolarHBondContact OH-CD1 3.42Å; G74-I458 WeakPolarHBondContact O-CD1 3.49Å; G74-I458 WeakPolarHBondContact O-CG1 3.45Å; L75-I458 HydrophobicContact CD2-CD1 4.3Å
459	G	73.5	Confident	82.5	Confident	52 Å²	52	25.7 Å²	25.7	54%	0.536	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	-6.6	-167	0	0	0	0	0	113.8	R457	R457-G459 PolarHBondContact O-N 2.86Å
460	Q	79.4	Confident	82.9	Confident	12 Å²	12	22.9 Å²	22.9	6%	0.056	13%	0.127	C	C	.	.			trans	-78.8	129.6	164.1	178.5	59.9	-94.2	0	0	110.7	T431 A433 A455 R457 K462 V464	T431-Q460 PolarHBondContact O-NE2 2.9Å; A433-Q460 PolarHBondContact O-NE2 3.18Å; A455-Q460 PolarHBondContact O-NE2 2.96Å; A455-Q460 VanDerWaalsContact O-NE2 3.15Å; R457-Q460 WeakPolarHBondContact O-CB 3.26Å; R457-Q460 PolarHBondContact O-N 2.66Å; Q460-K462 WeakPolarHBondContact CG-O 3.31Å; Q460-V464 HydrophobicContact CG-CG2 3.68Å
461	N	78.9	Confident	83	Confident	145 Å²	145	21.4 Å²	21.4	78%	0.775	12%	0.12	S	C	*	.			trans	-108.9	-19.3	178.8	-64.1	-14.9	0	0	0	113
462	K	82.1	Confident	82.8	Confident	62 Å²	62	26.4 Å²	26.4	27%	0.27	14%	0.139	S	C	.	.	S	Bend	trans	-94.2	152.4	177.1	-68.6	-172.4	172	-158.6	0	111.3	P271 D434 Q460 G548	P271-K462 WeakPolarHBondContact CB-O 3.06Å; D434-K462 HydrophobicContact CB-CB 3.98Å; D434-K462 HydrophobicContact CB-CD 3.67Å; D434-K462 WeakPolarHBondContact OD2-CD 3.48Å; D434-K462 IonicContact OD2-NZ 2.67Å; D434-K462 PolarHBondContact OD2-NZ 2.89Å; Q460-K462 WeakPolarHBondContact CG-O 3.31Å; K462-G548 PolarHBondContact NZ-O 3.19Å
463	S	82.2	Confident	82.3	Confident	14 Å²	14	27.8 Å²	27.8	10%	0.098	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-62.2	135.1	166.2	-179.6	0	0	0	0	110	K272	K272-S463 PolarHBondContact O-OG 3.02Å; K272-S463 VanDerWaalsContact O-OG 3.08Å
464	V	86.2	Confident	82.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.1	-175.9	-179.1	0	0	0	0	110.1	K273 T274 D434 V436 A455 H456 Q460 V466	K273-V464 WeakPolarHBondContact CA-O 3.46Å; T274-V464 PolarHBondContact N-O 3.44Å; D434-V464 VanDerWaalsContact O-CA 3.28Å; D434-V464 WeakPolarHBondContact O-CA 3.34Å; V436-V464 HydrophobicContact CG2-CG1 4.37Å; A455-V464 HydrophobicContact CB-CG1 4.45Å; H456-V464 HydrophobicContact CB-CB 4.48Å; H456-V464 HydrophobicContact CB-CG1 4.43Å; H456-V464 HydrophobicContact CB-CG2 4.4Å; Q460-V464 HydrophobicContact CG-CG2 3.68Å; V464-V466 HydrophobicContact CG1-CG2 4.44Å
465	K	87.9	Confident	82.4	Confident	17 Å²	17	27.2 Å²	27.2	7%	0.074	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.5	172.7	-168	178.2	-67.9	-77	0	110.1	V276 D434 T435 V436 I467 L542 W550	V276-K465 HydrophobicContact CG2-CD 4.42Å; V276-K465 HydrophobicContact CG2-CG 4.39Å; D434-K465 PolarHBondContact O-N 2.92Å; T435-K465 WeakPolarHBondContact CA-O 3.35Å; V436-K465 PolarHBondContact N-O 2.86Å; K465-I467 HydrophobicContact CD-CD1 4.35Å; K465-I467 HydrophobicContact CD-CG1 4.3Å; K465-I467 HydrophobicContact CG-CG1 4.15Å; K465-L542 HydrophobicContact CD-CD2 3.85Å; K465-L542 WeakPolarHBondContact CE-O 3.23Å; K465-L542 PolarHBondContact NZ-O 3.46Å; K465-W550 HydrophobicContact CB-CD2 4.41Å; K465-W550 HydrophobicContact CB-CG 4.5Å; K465-W550 HydrophobicContact CB-CZ2 4.36Å; K465-W550 HydrophobicContact CD-CD2 4.28Å; K465-W550 HydrophobicContact CD-CE3 4.35Å; K465-W550 HydrophobicContact CD-CH2 3.91Å; K465-W550 HydrophobicContact CD-CZ2 3.78Å; K465-W550 HydrophobicContact CD-CZ3 4.19Å; K465-W550 VanDerWaalsContact CE-CD2 3.42Å
466	V	89.5	Confident	82.4	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	174.6	-177.3	0	0	0	0	108	T274 E275 V276 V436 F438 A452 V464	T274-V466 PolarHBondContact O-N 3.36Å; E275-V466 CarbonylContact C-O 3.58Å; E275-V466 WeakPolarHBondContact CA-O 3.42Å; E275-V466 HydrophobicContact CG-CB 4.11Å; E275-V466 HydrophobicContact CG-CG2 4.46Å; V276-V466 PolarHBondContact N-O 3.38Å; V436-V466 HydrophobicContact CB-CG2 4.34Å; V436-V466 HydrophobicContact CG1-CG1 4.44Å; V436-V466 CarbonylContact O-C 3.25Å; V436-V466 WeakPolarHBondContact O-CA 3.19Å; F438-V466 HydrophobicContact CD2-CG1 3.9Å; F438-V466 HydrophobicContact CE2-CG1 3.65Å; A452-V466 HydrophobicContact CB-CG2 4.23Å; V464-V466 HydrophobicContact CG1-CG2 4.44Å
467	I	90	Very high	82.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.8	-178.3	-56.9	176.9	0	0	0	107.8	V276 I278 L355 T435 V436 I437 F438 K465 L469 L542	V276-I467 CarbonylContact O-C 3.49Å; V276-I467 WeakPolarHBondContact O-CA 3.46Å; I278-I467 HydrophobicContact CD1-CG2 3.51Å; I278-I467 HydrophobicContact CG1-CG2 3.89Å; L355-I467 HydrophobicContact CD1-CD1 3.98Å; L355-I467 HydrophobicContact CD2-CD1 4.18Å; L355-I467 HydrophobicContact CD2-CG2 4.19Å; T435-I467 HydrophobicContact CG2-CD1 4.01Å; V436-I467 PolarHBondContact O-N 2.81Å; I437-I467 CarbonylContact C-O 3.57Å; I437-I467 WeakPolarHBondContact CA-O 3.15Å; I437-I467 HydrophobicContact CG1-CB 4.27Å; I437-I467 HydrophobicContact CG1-CD1 4.44Å; F438-I467 PolarHBondContact N-O 2.98Å; K465-I467 HydrophobicContact CD-CD1 4.35Å; K465-I467 HydrophobicContact CD-CG1 4.3Å; K465-I467 HydrophobicContact CG-CG1 4.15Å; I467-L469 HydrophobicContact CG2-CD2 4.05Å; I467-L542 HydrophobicContact CD1-CD2 3.82Å; I467-L542 HydrophobicContact CG1-CD2 4.37Å
468	R	90.1	Very high	82.3	Confident	21 Å²	21	27.1 Å²	27.1	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.1	173.5	-65.9	178.3	176.8	-85.2	0.3	109.4	V276 I278 F438 D448	V276-R468 PolarHBondContact O-N 3.24Å; I278-R468 PolarHBondContact N-O 3.47Å; F438-R468 HydrophobicContact CB-CG 4.25Å; F438-R468 HydrophobicContact CD2-CG 4.08Å; D448-R468 VanDerWaalsContact CB-NH2 3.34Å; D448-R468 IonicContact OD2-CZ 3.83Å; D448-R468 IonicContact OD2-NH1 2.81Å; D448-R468 PolarHBondContact OD2-NH1 3.22Å; D448-R468 IonicContact OD2-NH2 3.79Å
469	L	89.8	Confident	82.7	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.8	174.5	-52.2	-174.9	0	0	0	109.2	I278 K348 L351 L352 L355 I437 F438 I467	I278-L469 HydrophobicContact CB-CD2 4.26Å; K348-L469 HydrophobicContact CG-CB 4.38Å; K348-L469 HydrophobicContact CG-CD1 4.05Å; L351-L469 HydrophobicContact CD2-CD2 3.87Å; L351-L469 HydrophobicContact CG-CD2 4.45Å; L352-L469 HydrophobicContact CD1-CD1 4.41Å; L355-L469 HydrophobicContact CD2-CD2 4.38Å; I437-L469 HydrophobicContact CG2-CD1 4.13Å; I437-L469 HydrophobicContact CG2-CG 4.1Å; F438-L469 PolarHBondContact O-N 3.37Å; I467-L469 HydrophobicContact CG2-CD2 4.05Å
470	I	87.3	Confident	83.2	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	129.3	-178.7	-56.5	-173.1	0	0	0	110.5	V277 I278 Y279 H280 R472 E476 E477 Y480	V277-I470 HydrophobicContact CG1-CD1 3.5Å; V277-I470 HydrophobicContact CG1-CG1 4Å; I278-I470 PolarHBondContact O-N 3.34Å; Y279-I470 CarbonylContact C-O 3.58Å; Y279-I470 VanDerWaalsContact CA-O 3.31Å; Y279-I470 WeakPolarHBondContact CA-O 3.48Å; Y279-I470 HydrophobicContact CD1-CB 4.14Å; Y279-I470 HydrophobicContact CD1-CG2 4.15Å; Y279-I470 HydrophobicContact CE1-CB 4.22Å; Y279-I470 HydrophobicContact CE1-CG2 3.98Å; H280-I470 VanDerWaalsContact CD2-C 3.41Å; H280-I470 PolarHBondContact CD2-O 3.38Å; H280-I470 PolarHBondContact N-O 2.98Å; I470-R472 PolarHBondContact O-N 3.2Å; I470-E476 HydrophobicContact CG2-CB 4.12Å; I470-E477 HydrophobicContact CG2-CB 3.98Å; I470-Y480 HydrophobicContact CD1-CD1 3.54Å; I470-Y480 HydrophobicContact CD1-CD2 3.79Å; I470-Y480 HydrophobicContact CD1-CE1 4.2Å; I470-Y480 HydrophobicContact CD1-CE2 4.41Å; I470-Y480 HydrophobicContact CD1-CG 3.32Å
471	G	82	Confident	83.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.5	170.9	0	0	0	0	0	112.9	H280 T474 E476	H280-G471 PolarHBondContact NE2-N 3.12Å; G471-T474 WeakPolarHBondContact O-CB 3.48Å; G471-T474 PolarHBondContact O-N 2.88Å; G471-T474 PolarHBondContact O-OG1 3.47Å; G471-E476 PolarHBondContact N-OE2 3.44Å; G471-E476 VanDerWaalsContact N-OE2 3.15Å
472	R	79.1	Confident	82.9	Confident	106 Å²	106	24.4 Å²	24.4	40%	0.4	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	136.1	174	-69.6	-175.6	175.5	163.3	-0.5	111.6	Y279 H280 I470 T474 D534	Y279-R472 HydrophobicContact CD1-CG 4.17Å; Y279-R472 HydrophobicContact CG-CG 4.3Å; H280-R472 PolarHBondContact O-N 3.06Å; I470-R472 PolarHBondContact O-N 3.2Å; R472-T474 WeakPolarHBondContact O-CG2 3.18Å; R472-T474 PolarHBondContact O-N 3.43Å; R472-T474 VanDerWaalsContact O-N 3.13Å; R472-D534 IonicContact NH1-OD2 2.65Å; R472-D534 PolarHBondContact NH1-OD2 3.13Å
473	D	74.3	Confident	82.5	Confident	36 Å²	36	21.8 Å²	21.8	19%	0.193	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	22.9	178.2	-61.9	-52.9	0	0	0	113.9	E477 K524	D473-E477 PolarHBondContact N-OE2 2.71Å; D473-E477 VanDerWaalsContact N-OE2 3.08Å; D473-K524 HydrophobicContact CB-CD 4.39Å; D473-K524 VanDerWaalsContact OD1-CD 3.23Å; D473-K524 WeakPolarHBondContact OD1-CD 3.39Å; D473-K524 WeakPolarHBondContact OD1-CE 3.49Å; D473-K524 IonicContact OD1-NZ 2.67Å; D473-K524 PolarHBondContact OD1-NZ 2.8Å; D473-K524 WeakPolarHBondContact OD2-CD 3.25Å; D473-K524 IonicContact OD2-NZ 3.39Å; D473-K524 PolarHBondContact OD2-NZ 2.74Å
474	T	80.9	Confident	82.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-108	170.5	176.8	77	0	0	0	0	112	M282 V322 G471 R472 E476 E477	M282-T474 HydrophobicContact CG-CG2 4.02Å; M282-T474 HydrophobicContact SD-CG2 3.56Å; M282-T474 VanDerWaalsContact SD-CG2 3.56Å; V322-T474 HydrophobicContact CG1-CG2 4.22Å; V322-T474 HydrophobicContact CG2-CG2 3.81Å; G471-T474 WeakPolarHBondContact O-CB 3.48Å; G471-T474 PolarHBondContact O-N 2.88Å; G471-T474 PolarHBondContact O-OG1 3.47Å; R472-T474 WeakPolarHBondContact O-CG2 3.18Å; R472-T474 PolarHBondContact O-N 3.43Å; R472-T474 VanDerWaalsContact O-N 3.13Å; T474-E476 PolarHBondContact O-N 2.94Å; T474-E476 PolarHBondContact OG1-N 3.34Å; T474-E477 PolarHBondContact O-N 3.13Å
475	V	81.4	Confident	81.3	Confident	3 Å²	3	25.3 Å²	25.3	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-30.5	174	-172.1	0	0	0	0	113.1	Y290 L315 L318 E477 I478 V479 I517	Y290-V475 WeakPolarHBondContact OH-CG2 3.48Å; Y290-V475 PolarHBondContact OH-N 3.46Å; L315-V475 HydrophobicContact CD1-CB 4.34Å; L315-V475 HydrophobicContact CD1-CG1 3.25Å; L318-V475 HydrophobicContact CB-CG2 4.13Å; L318-V475 HydrophobicContact CD1-CG2 3.82Å; V475-E477 VanDerWaalsContact C-N 3.26Å; V475-E477 PolarHBondContact O-N 3.39Å; V475-I478 PolarHBondContact O-N 2.88Å; V475-I478 VanDerWaalsContact O-N 3.14Å; V475-V479 HydrophobicContact CG1-CG2 4.12Å; V475-V479 WeakPolarHBondContact O-CG2 3.34Å; V475-V479 PolarHBondContact O-N 3.43Å; V475-I517 HydrophobicContact CG1-CG2 3.46Å; V475-I517 VanDerWaalsContact CG1-CG2 3.46Å
476	E	83.3	Confident	80.4	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-38.5	-179.3	-62.1	-162.3	130.4	0	0	112.5	V322 K348 I470 G471 T474 I478 V479 Y480	V322-E476 HydrophobicContact CB-CG 4.35Å; V322-E476 HydrophobicContact CG1-CG 3.95Å; V322-E476 VanDerWaalsContact CG1-OE2 3.25Å; V322-E476 WeakPolarHBondContact CG1-OE2 3.38Å; K348-E476 VanDerWaalsContact NZ-CD 3.25Å; K348-E476 IonicContact NZ-OE1 3.35Å; K348-E476 PolarHBondContact NZ-OE1 3.25Å; K348-E476 IonicContact NZ-OE2 2.79Å; K348-E476 PolarHBondContact NZ-OE2 2.91Å; I470-E476 HydrophobicContact CG2-CB 4.12Å; G471-E476 PolarHBondContact N-OE2 3.44Å; G471-E476 VanDerWaalsContact N-OE2 3.15Å; T474-E476 PolarHBondContact O-N 2.94Å; T474-E476 PolarHBondContact OG1-N 3.34Å; E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 PolarHBondContact O-N 3.14Å; E476-V479 PolarHBondContact O-N 2.93Å; E476-Y480 WeakPolarHBondContact O-CB 3.47Å; E476-Y480 PolarHBondContact O-N 2.86Å
477	E	82.8	Confident	79.4	Confident	18 Å²	18	32.3 Å²	32.3	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-39.1	179.1	-172.2	179.8	161	0	0	111.4	Y279 I470 D473 T474 V475 Y480 R481	Y279-E477 HydrophobicContact CE1-CG 4.16Å; I470-E477 HydrophobicContact CG2-CB 3.98Å; D473-E477 PolarHBondContact N-OE2 2.71Å; D473-E477 VanDerWaalsContact N-OE2 3.08Å; T474-E477 PolarHBondContact O-N 3.13Å; V475-E477 VanDerWaalsContact C-N 3.26Å; V475-E477 PolarHBondContact O-N 3.39Å; E477-Y480 PolarHBondContact O-N 3.29Å; E477-R481 WeakPolarHBondContact O-CB 3.47Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.44Å; E477-R481 PolarHBondContact O-N 3.25Å; E477-R481 IonicContact OE1-CZ 3.31Å; E477-R481 IonicContact OE1-NE 2.7Å; E477-R481 PolarHBondContact OE1-NE 2.8Å; E477-R481 IonicContact OE1-NH2 3.97Å; E477-R481 PolarHBondContact OE1-NH2 3.16Å
478	I	76.7	Confident	78.2	Confident	20 Å²	20	37 Å²	37	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-74.6	-38.3	179.7	-41.7	169.6	0	0	0	110.8	V475 E476 Y480 R481 K482 I517 F520	V475-I478 PolarHBondContact O-N 2.88Å; V475-I478 VanDerWaalsContact O-N 3.14Å; E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 PolarHBondContact O-N 3.14Å; I478-Y480 VanDerWaalsContact C-N 3.31Å; I478-R481 PolarHBondContact O-N 3.4Å; I478-K482 WeakPolarHBondContact O-CB 3.26Å; I478-K482 WeakPolarHBondContact O-CG 3.3Å; I478-K482 PolarHBondContact O-N 2.97Å; I478-I517 HydrophobicContact CB-CG1 4.39Å; I478-I517 HydrophobicContact CD1-CB 4.4Å; I478-I517 HydrophobicContact CD1-CG2 4.27Å; I478-I517 WeakPolarHBondContact CD1-O 3.36Å; I478-I517 HydrophobicContact CG2-CG1 3.71Å; I478-F520 HydrophobicContact CD1-CB 3.55Å; I478-F520 HydrophobicContact CD1-CD1 3.53Å; I478-F520 HydrophobicContact CD1-CE1 4.42Å; I478-F520 HydrophobicContact CD1-CG 3.71Å; I478-F520 HydrophobicContact CG1-CD1 3.75Å; I478-F520 HydrophobicContact CG1-CE1 4.16Å; I478-F520 HydrophobicContact CG1-CG 4.23Å
479	V	80.4	Confident	76.7	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-46.1	172.4	175.3	0	0	0	0	109.8	F443 V475 E476 K482 A483	F443-V479 HydrophobicContact CD1-CG1 3.81Å; F443-V479 HydrophobicContact CD1-CG2 4.14Å; F443-V479 HydrophobicContact CE1-CB 4.4Å; F443-V479 HydrophobicContact CE1-CG1 3.98Å; F443-V479 HydrophobicContact CE1-CG2 3.51Å; F443-V479 HydrophobicContact CG-CG1 4.21Å; F443-V479 HydrophobicContact CZ-CG1 4.49Å; F443-V479 HydrophobicContact CZ-CG2 3.98Å; V475-V479 HydrophobicContact CG1-CG2 4.12Å; V475-V479 WeakPolarHBondContact O-CG2 3.34Å; V475-V479 PolarHBondContact O-N 3.43Å; E476-V479 PolarHBondContact O-N 2.93Å; V479-K482 PolarHBondContact O-N 3.46Å; V479-A483 WeakPolarHBondContact O-CB 3.38Å; V479-A483 PolarHBondContact O-N 3.37Å
480	Y	83.2	Confident	75.4	Confident	57 Å²	57	42.2 Å²	42.2	22%	0.224	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-48.6	175.6	176.6	-105.1	0	0	0	112.8	V277 I470 E476 E477 I478 K482 A483 A484	V277-Y480 HydrophobicContact CG2-CE1 4.07Å; V277-Y480 HydrophobicContact CG2-CE2 4.3Å; V277-Y480 WeakPolarHBondContact CG2-OH 3.33Å; I470-Y480 HydrophobicContact CD1-CD1 3.54Å; I470-Y480 HydrophobicContact CD1-CD2 3.79Å; I470-Y480 HydrophobicContact CD1-CE1 4.2Å; I470-Y480 HydrophobicContact CD1-CE2 4.41Å; I470-Y480 HydrophobicContact CD1-CG 3.32Å; E476-Y480 WeakPolarHBondContact O-CB 3.47Å; E476-Y480 PolarHBondContact O-N 2.86Å; E477-Y480 PolarHBondContact O-N 3.29Å; I478-Y480 VanDerWaalsContact C-N 3.31Å; Y480-K482 VanDerWaalsContact C-N 3.3Å; Y480-K482 PolarHBondContact O-N 3.1Å; Y480-A483 WeakPolarHBondContact O-CB 3.42Å; Y480-A483 PolarHBondContact O-N 2.7Å; Y480-A483 VanDerWaalsContact O-N 3.13Å; Y480-A484 WeakPolarHBondContact O-CB 3.31Å; Y480-A484 PolarHBondContact O-N 3.26Å
481	R	77.6	Confident	74	Confident	79 Å²	79	45.1 Å²	45.1	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-54.2	-46.3	175.6	-73.6	173.3	-172.3	-146.5	5.4	111.2	E477 I478 A484 S485 Y580	E477-R481 WeakPolarHBondContact O-CB 3.47Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.44Å; E477-R481 PolarHBondContact O-N 3.25Å; E477-R481 IonicContact OE1-CZ 3.31Å; E477-R481 IonicContact OE1-NE 2.7Å; E477-R481 PolarHBondContact OE1-NE 2.8Å; E477-R481 IonicContact OE1-NH2 3.97Å; E477-R481 PolarHBondContact OE1-NH2 3.16Å; I478-R481 PolarHBondContact O-N 3.4Å; R481-A484 PolarHBondContact O-N 3.46Å; R481-S485 PolarHBondContact O-N 3.31Å; R481-S485 PolarHBondContact O-OG 2.97Å; R481-S485 VanDerWaalsContact O-OG 3.13Å; R481-Y580 PolarHBondContact NH1-O 3.35Å
482	K	74.5	Confident	72.7	Confident	58 Å²	58	51.5 Å²	51.5	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-37.7	177.7	-70.6	-171.4	-177.8	-160.3	0	113.1	I478 V479 Y480 K486 Q513 I517	I478-K482 WeakPolarHBondContact O-CB 3.26Å; I478-K482 WeakPolarHBondContact O-CG 3.3Å; I478-K482 PolarHBondContact O-N 2.97Å; V479-K482 PolarHBondContact O-N 3.46Å; Y480-K482 VanDerWaalsContact C-N 3.3Å; Y480-K482 PolarHBondContact O-N 3.1Å; K482-K486 WeakPolarHBondContact O-CB 3.37Å; K482-K486 VanDerWaalsContact O-CG 3.31Å; K482-K486 WeakPolarHBondContact O-CG 3.26Å; K482-K486 PolarHBondContact O-N 2.81Å; K482-Q513 VanDerWaalsContact NZ-CB 3.34Å; K482-I517 HydrophobicContact CD-CD1 4.1Å
483	A	73.3	Confident	71.4	Confident	7 Å²	7	47.7 Å²	47.7	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-43.6	173.8	0	0	0	0	0	111	P445 V479 Y480 K486 L487	P445-A483 HydrophobicContact CB-CB 4.1Å; P445-A483 HydrophobicContact CG-CB 4.34Å; P445-A483 WeakPolarHBondContact CG-O 3.47Å; V479-A483 WeakPolarHBondContact O-CB 3.38Å; V479-A483 PolarHBondContact O-N 3.37Å; Y480-A483 WeakPolarHBondContact O-CB 3.42Å; Y480-A483 PolarHBondContact O-N 2.7Å; Y480-A483 VanDerWaalsContact O-N 3.13Å; A483-K486 PolarHBondContact O-N 3.35Å; A483-L487 WeakPolarHBondContact O-CB 3.28Å; A483-L487 PolarHBondContact O-N 3.35Å
484	A	74.8	Confident	70.4	Confident	29 Å²	29	48.5 Å²	48.5	24%	0.24	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-47.3	175.7	0	0	0	0	0	112.1	Y480 R481 K486 L487 Q488	Y480-A484 WeakPolarHBondContact O-CB 3.31Å; Y480-A484 PolarHBondContact O-N 3.26Å; R481-A484 PolarHBondContact O-N 3.46Å; A484-K486 PolarHBondContact O-N 3.16Å; A484-L487 PolarHBondContact O-N 3.4Å; A484-L487 VanDerWaalsContact O-N 3.16Å; A484-Q488 WeakPolarHBondContact O-CG 3.23Å; A484-Q488 PolarHBondContact O-N 2.98Å
485	S	68.8	Low	69	Low	60 Å²	60	55.5 Å²	55.5	42%	0.42	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-41	175.8	-57.7	0	0	0	0	112.6	R481 L487 Q488 L489	R481-S485 PolarHBondContact O-N 3.31Å; R481-S485 PolarHBondContact O-OG 2.97Å; R481-S485 VanDerWaalsContact O-OG 3.13Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 2.99Å; S485-Q488 PolarHBondContact O-N 2.76Å; S485-L489 VanDerWaalsContact O-CG 3.31Å; S485-L489 WeakPolarHBondContact O-CG 3.44Å; S485-L489 PolarHBondContact O-N 3.08Å
486	K	69	Low	67.1	Low	111 Å²	111	57.8 Å²	57.8	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-41.8	173.3	-76.5	177.2	-179	-177.7	0	112	P445 K482 A483 A484 T490	P445-K486 HydrophobicContact CG-CB 4.45Å; K482-K486 WeakPolarHBondContact O-CB 3.37Å; K482-K486 VanDerWaalsContact O-CG 3.31Å; K482-K486 WeakPolarHBondContact O-CG 3.26Å; K482-K486 PolarHBondContact O-N 2.81Å; A483-K486 PolarHBondContact O-N 3.35Å; A484-K486 PolarHBondContact O-N 3.16Å; K486-T490 WeakPolarHBondContact O-CB 3.25Å; K486-T490 PolarHBondContact O-N 2.88Å; K486-T490 PolarHBondContact O-OG1 2.8Å
487	L	67.9	Low	65.2	Low	55 Å²	55	58.9 Å²	58.9	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-40.5	178.4	-175	147.9	0	0	0	111.7	P445 A483 A484 S485 T490 N491	P445-L487 HydrophobicContact CB-CB 4.22Å; P445-L487 HydrophobicContact CB-CD1 4.05Å; P445-L487 HydrophobicContact CG-CB 4.12Å; A483-L487 WeakPolarHBondContact O-CB 3.28Å; A483-L487 PolarHBondContact O-N 3.35Å; A484-L487 PolarHBondContact O-N 3.4Å; A484-L487 VanDerWaalsContact O-N 3.16Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 2.99Å; L487-T490 WeakPolarHBondContact O-CB 3.07Å; L487-T490 PolarHBondContact O-N 3.39Å; L487-N491 PolarHBondContact O-N 3.42Å; L487-N491 PolarHBondContact O-OD1 3.5Å
488	Q	64.9	Low	63	Low	98 Å²	98	61.7 Å²	61.7	46%	0.458	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-48.7	174.1	-76.5	176.1	-30.2	0	0	111.8	A484 S485 T490 N491 M492	A484-Q488 WeakPolarHBondContact O-CG 3.23Å; A484-Q488 PolarHBondContact O-N 2.98Å; S485-Q488 PolarHBondContact O-N 2.76Å; Q488-T490 VanDerWaalsContact C-N 3.33Å; Q488-T490 PolarHBondContact O-N 3.02Å; Q488-N491 PolarHBondContact O-N 2.8Å; Q488-M492 WeakPolarHBondContact O-CG 3.19Å; Q488-M492 PolarHBondContact O-N 2.87Å
489	L	59.8	Low	61.4	Low	103 Å²	103	61.6 Å²	61.6	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-48.8	173.1	-69.4	169.3	0	0	0	110.7	S485 N491 M492 I493	S485-L489 VanDerWaalsContact O-CG 3.31Å; S485-L489 WeakPolarHBondContact O-CG 3.44Å; S485-L489 PolarHBondContact O-N 3.08Å; L489-N491 VanDerWaalsContact C-N 3.32Å; L489-N491 PolarHBondContact O-N 2.75Å; L489-M492 PolarHBondContact O-N 3.48Å; L489-I493 WeakPolarHBondContact O-CB 3.48Å; L489-I493 VanDerWaalsContact O-CD1 3.23Å; L489-I493 WeakPolarHBondContact O-CD1 3.44Å; L489-I493 WeakPolarHBondContact O-CG1 3.41Å; L489-I493 PolarHBondContact O-N 2.89Å
490	T	60.7	Low	59.4	Low	29 Å²	29	63 Å²	63	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-56.6	-42.4	177.3	-54.9	0	0	0	0	112.2	K486 L487 Q488 I493 I494	K486-T490 WeakPolarHBondContact O-CB 3.25Å; K486-T490 PolarHBondContact O-N 2.88Å; K486-T490 PolarHBondContact O-OG1 2.8Å; L487-T490 WeakPolarHBondContact O-CB 3.07Å; L487-T490 PolarHBondContact O-N 3.39Å; Q488-T490 VanDerWaalsContact C-N 3.33Å; Q488-T490 PolarHBondContact O-N 3.02Å; T490-I493 WeakPolarHBondContact O-CB 3.5Å; T490-I494 HydrophobicContact CG2-CD1 3.66Å; T490-I494 WeakPolarHBondContact O-CD1 3.36Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.35Å
491	N	58.7	Low	57.4	Low	61 Å²	61	60.7 Å²	60.7	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-71.5	-43.6	179.6	-72.3	8.1	0	0	0	112	L487 Q488 L489 I493 I494 E495	L487-N491 PolarHBondContact O-N 3.42Å; L487-N491 PolarHBondContact O-OD1 3.5Å; Q488-N491 PolarHBondContact O-N 2.8Å; L489-N491 VanDerWaalsContact C-N 3.32Å; L489-N491 PolarHBondContact O-N 2.75Å; N491-I493 PolarHBondContact O-N 2.68Å; N491-I494 PolarHBondContact O-N 3.37Å; N491-E495 WeakPolarHBondContact O-CB 3.4Å; N491-E495 PolarHBondContact O-N 3.23Å
492	M	53.9	Low	55.6	Low	134 Å²	134	58.8 Å²	58.8	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-57.4	-39.4	175.2	-71.3	175.8	66.9	0	0	111.9	Q488 L489 I494 G496	Q488-M492 WeakPolarHBondContact O-CG 3.19Å; Q488-M492 PolarHBondContact O-N 2.87Å; L489-M492 PolarHBondContact O-N 3.48Å; M492-I494 VanDerWaalsContact C-N 3.31Å; M492-I494 PolarHBondContact O-N 2.96Å; M492-G496 PolarHBondContact O-N 3.23Å; M492-G496 VanDerWaalsContact O-N 3.1Å
493	I	51.9	Low	53.7	Low	27 Å²	27	58.2 Å²	58.2	14%	0.138	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-40.7	174.7	-71.9	158.6	0	0	0	112.2	L489 T490 N491 H498 T500	L489-I493 WeakPolarHBondContact O-CB 3.48Å; L489-I493 VanDerWaalsContact O-CD1 3.23Å; L489-I493 WeakPolarHBondContact O-CD1 3.44Å; L489-I493 WeakPolarHBondContact O-CG1 3.41Å; L489-I493 PolarHBondContact O-N 2.89Å; T490-I493 WeakPolarHBondContact O-CB 3.5Å; N491-I493 PolarHBondContact O-N 2.68Å; I493-H498 VanDerWaalsContact CA-O 3.31Å; I493-H498 WeakPolarHBondContact CA-O 3.49Å; I493-T500 WeakPolarHBondContact CD1-O 3.49Å; I493-T500 WeakPolarHBondContact CD1-OG1 3.42Å; I493-T500 WeakPolarHBondContact CG1-O 3.48Å; I493-T500 WeakPolarHBondContact CG1-OG1 3.41Å
494	I	54.5	Low	52	Low	52 Å²	52	65.9 Å²	65.9	27%	0.267	37%	0.373	S	S	.	.	H	α-helix	trans	-85.6	-42.1	-170.6	-69	162.8	0	0	0	111.4	T490 N491 M492	T490-I494 HydrophobicContact CG2-CD1 3.66Å; T490-I494 WeakPolarHBondContact O-CD1 3.36Å; T490-I494 WeakPolarHBondContact O-CG1 3.31Å; T490-I494 PolarHBondContact O-N 3.35Å; N491-I494 PolarHBondContact O-N 3.37Å; M492-I494 VanDerWaalsContact C-N 3.31Å; M492-I494 PolarHBondContact O-N 2.96Å
495	E	50.1	Low	50.2	Low	148 Å²	148	72.2 Å²	72.2	69%	0.692	40%	0.395	S	S	*	.	H	α-helix	trans	-83.8	-32.2	-175.2	-66.7	172.4	-177.7	0	0	112.3	N491 G497	N491-E495 WeakPolarHBondContact O-CB 3.4Å; N491-E495 PolarHBondContact O-N 3.23Å; E495-G497 PolarHBondContact O-N 3.49Å
496	G	42.1	Very low	48.6	Very low	51 Å²	51	73.9 Å²	73.9	53%	0.526	40%	0.404	S	S	.	.	S	Bend	trans	-84.5	-2.1	-176.6	0	0	0	0	0	115.7	M492 H498	M492-G496 PolarHBondContact O-N 3.23Å; M492-G496 VanDerWaalsContact O-N 3.1Å; G496-H498 PolarHBondContact O-N 3.43Å
497	G	43.5	Very low	47.1	Very low	35 Å²	35	71.5 Å²	71.5	36%	0.361	41%	0.406	S	S	.	.	S	Bend	trans	65.2	-7	-171	0	0	0	0	0	115.1	E495 F499	E495-G497 PolarHBondContact O-N 3.49Å; G497-F499 WeakPolarHBondContact O-CD2 3.46Å; G497-F499 PolarHBondContact O-N 2.92Å
498	H	37.4	Very low	45.5	Very low	76 Å²	76	71.8 Å²	71.8	35%	0.352	42%	0.416	S	S	.	.			trans	-80.4	95.3	174.7	-95	-91.2	0	0	0	110.3	S244 I493 G496 T500	S244-H498 VanDerWaalsContact CB-CE1 3.46Å; S244-H498 WeakPolarHBondContact CB-CE1 3.29Å; S244-H498 PolarHBondContact OG-CE1 3.3Å; S244-H498 VanDerWaalsContact OG-CE1 3.28Å; S244-H498 PolarHBondContact OG-NE2 3.01Å; I493-H498 VanDerWaalsContact CA-O 3.31Å; I493-H498 WeakPolarHBondContact CA-O 3.49Å; G496-H498 PolarHBondContact O-N 3.43Å; H498-T500 HydrophobicContact CB-CG2 4.45Å; H498-T500 PolarHBondContact O-N 3.46Å
499	F	42.6	Very low	44.3	Very low	19 Å²	19	69.6 Å²	69.6	8%	0.083	41%	0.408	C	S	.	.			trans	-67.1	65.1	176	-77.4	-87.9	0	0	0	113.5	I206 I240 L250 H251 L254 G497 L501	I206-F499 HydrophobicContact CD1-CD1 3.99Å; I206-F499 HydrophobicContact CD1-CE1 3.53Å; I240-F499 WeakPolarHBondContact CB-O 3.46Å; I240-F499 HydrophobicContact CD1-CB 4.43Å; I240-F499 WeakPolarHBondContact CD1-O 3.38Å; I240-F499 HydrophobicContact CG2-CB 4.19Å; I240-F499 WeakPolarHBondContact CG2-O 3.4Å; L250-F499 HydrophobicContact CD2-CB 3.96Å; L250-F499 HydrophobicContact CD2-CD1 4.22Å; L250-F499 HydrophobicContact CD2-CG 4.03Å; L250-F499 HydrophobicContact CG-CG 4.5Å; H251-F499 HydrophobicContact CB-CD2 4.31Å; H251-F499 HydrophobicContact CB-CE2 3.62Å; H251-F499 AromaticContact CG-CE2 3.91Å; H251-F499 AromaticContact ND1-CE2 3.42Å; H251-F499 WeakPolarHBondContact ND1-CE2 3.17Å; H251-F499 AromaticContact ND1-CZ 3.8Å; L254-F499 HydrophobicContact CD1-CD1 4.41Å; L254-F499 HydrophobicContact CD1-CE1 3.65Å; L254-F499 HydrophobicContact CD1-CZ 3.71Å; G497-F499 WeakPolarHBondContact O-CD2 3.46Å; G497-F499 PolarHBondContact O-N 2.92Å; F499-L501 HydrophobicContact CB-CD1 3.94Å; F499-L501 HydrophobicContact CD1-CD1 4.09Å; F499-L501 HydrophobicContact CG-CD1 4.47Å; F499-L501 PolarHBondContact O-N 3.26Å
500	T	38.1	Very low	43.7	Very low	33 Å²	33	67.1 Å²	67.1	20%	0.202	40%	0.402	C	S	.	.			trans	-73.7	66.9	172.5	79	0	0	0	0	110.1	E241 I493 H498 G502	E241-T500 HydrophobicContact CB-CG2 4.28Å; E241-T500 HydrophobicContact CG-CG2 4.37Å; I493-T500 WeakPolarHBondContact CD1-O 3.49Å; I493-T500 WeakPolarHBondContact CD1-OG1 3.42Å; I493-T500 WeakPolarHBondContact CG1-O 3.48Å; I493-T500 WeakPolarHBondContact CG1-OG1 3.41Å; H498-T500 HydrophobicContact CB-CG2 4.45Å; H498-T500 PolarHBondContact O-N 3.46Å; T500-G502 VanDerWaalsContact C-N 3.3Å; T500-G502 PolarHBondContact O-N 3.43Å
501	L	41.3	Very low	43.1	Very low	9 Å²	9	68.5 Å²	68.5	5%	0.047	41%	0.408	C	S	.	.			trans	-62.5	97.1	169.2	-78.5	114.1	0	0	0	107.4	I206 L210 L213 I240 L250 F499 A503	I206-L501 HydrophobicContact CG2-CD2 3.57Å; I206-L501 HydrophobicContact CG2-CG 4.06Å; L210-L501 HydrophobicContact CD2-CB 4.01Å; L210-L501 HydrophobicContact CD2-CD1 3.78Å; L210-L501 HydrophobicContact CD2-CD2 4.07Å; L210-L501 HydrophobicContact CD2-CG 4.18Å; L210-L501 HydrophobicContact CG-CB 3.84Å; L210-L501 HydrophobicContact CG-CD2 4.13Å; L210-L501 HydrophobicContact CG-CG 4.39Å; L213-L501 HydrophobicContact CD2-CD1 4.45Å; L213-L501 HydrophobicContact CD2-CD2 4.4Å; I240-L501 HydrophobicContact CD1-CD1 4.19Å; L250-L501 HydrophobicContact CD2-CD1 3.73Å; F499-L501 HydrophobicContact CB-CD1 3.94Å; F499-L501 HydrophobicContact CD1-CD1 4.09Å; F499-L501 HydrophobicContact CG-CD1 4.47Å; F499-L501 PolarHBondContact O-N 3.26Å; L501-A503 PolarHBondContact O-N 3.12Å
502	G	39.8	Very low	42.5	Very low	39 Å²	39	71.1 Å²	71.1	40%	0.402	42%	0.421	S	S	.	.			trans	-49.4	115	-173	0	0	0	0	0	111.1	T500 Q504	T500-G502 VanDerWaalsContact C-N 3.3Å; T500-G502 PolarHBondContact O-N 3.43Å; G502-Q504 PolarHBondContact O-N 3.48Å
503	A	34	Very low	42.7	Very low	47 Å²	47	67.6 Å²	67.6	39%	0.388	40%	0.403	S	S	.	.			trans	-52.8	138.2	164.7	0	0	0	0	0	107.5	L501 K505	L501-A503 PolarHBondContact O-N 3.12Å; A503-K505 PolarHBondContact O-N 2.92Å
504	Q	38.3	Very low	43.2	Very low	167 Å²	167	67.5 Å²	67.5	78%	0.78	40%	0.403	S	S	*	.			trans	-59.4	102.3	177.2	-71.5	-174.8	6.5	0	0	108.8	G502	G502-Q504 PolarHBondContact O-N 3.48Å
505	K	37.8	Very low	43.5	Very low	162 Å²	162	66.4 Å²	66.4	70%	0.704	40%	0.4	S	S	*	.			trans	-56.1	125.2	160.1	-73.1	-166.6	176	-173	0	106.1	A503 D509	A503-K505 PolarHBondContact O-N 2.92Å; K505-D509 WeakPolarHBondContact CD-OD2 3.44Å
506	P	34	Very low	44.2	Very low	95 Å²	95	63.1 Å²	63.1	62%	0.617	39%	0.385	S	S	*	.			trans	-57.9	146.1	-170.5	22	-33.1	0	0	0	110.2	A508 D509	P506-A508 PolarHBondContact O-N 3.35Å; P506-D509 PolarHBondContact O-N 3.08Å
507	A	37	Very low	45.2	Very low	62 Å²	62	61.2 Å²	61.2	51%	0.512	36%	0.362	S	S	.	.	H	α-helix	trans	-52.8	-23.5	-171.6	0	0	0	0	0	114.6	D509 A510 D511	A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 PolarHBondContact O-N 3.27Å; A507-A510 WeakPolarHBondContact O-CB 3.41Å; A507-A510 PolarHBondContact O-N 3.47Å; A507-A510 VanDerWaalsContact O-N 3.11Å; A507-D511 PolarHBondContact O-N 2.93Å; A507-D511 VanDerWaalsContact O-N 3.1Å
508	A	34.9	Very low	46.2	Very low	61 Å²	61	59.9 Å²	59.9	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-54.3	-34.4	172.1	0	0	0	0	0	114.4	P506 D511 L512	P506-A508 PolarHBondContact O-N 3.35Å; A508-D511 PolarHBondContact O-N 2.6Å; A508-L512 PolarHBondContact O-N 3.39Å
509	D	39.8	Very low	47.4	Very low	52 Å²	52	59 Å²	59	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-38.3	177.3	-169.8	2.8	0	0	0	110.5	K505 P506 A507 D511 Q513	K505-D509 WeakPolarHBondContact CD-OD2 3.44Å; P506-D509 PolarHBondContact O-N 3.08Å; A507-D509 VanDerWaalsContact C-N 3.27Å; A507-D509 PolarHBondContact O-N 3.27Å; D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 PolarHBondContact O-N 3.45Å; D509-Q513 VanDerWaalsContact CG-NE2 3.35Å; D509-Q513 WeakPolarHBondContact O-CB 3.43Å; D509-Q513 WeakPolarHBondContact O-CG 3.32Å; D509-Q513 PolarHBondContact O-N 2.79Å; D509-Q513 PolarHBondContact O-NE2 2.92Å; D509-Q513 PolarHBondContact OD1-NE2 3.05Å
510	A	46.7	Very low	48.4	Very low	50 Å²	50	59.5 Å²	59.5	41%	0.413	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-32.9	172.7	0	0	0	0	0	112.7	A507 L514	A507-A510 WeakPolarHBondContact O-CB 3.41Å; A507-A510 PolarHBondContact O-N 3.47Å; A507-A510 VanDerWaalsContact O-N 3.11Å; A510-L514 WeakPolarHBondContact O-CG 3.48Å; A510-L514 PolarHBondContact O-N 2.8Å
511	D	47.9	Very low	49.4	Very low	59 Å²	59	58 Å²	58	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-75.4	-39.8	-179.3	-63.7	-33.8	0	0	0	111.8	K308 A507 A508 D509 L514	K308-D511 WeakPolarHBondContact CE-OD1 3.38Å; K308-D511 IonicContact NZ-OD1 3.5Å; K308-D511 PolarHBondContact NZ-OD1 3.26Å; K308-D511 IonicContact NZ-OD2 3.23Å; K308-D511 PolarHBondContact NZ-OD2 3.08Å; A507-D511 PolarHBondContact O-N 2.93Å; A507-D511 VanDerWaalsContact O-N 3.1Å; A508-D511 PolarHBondContact O-N 2.6Å; D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 PolarHBondContact O-N 3.45Å; D511-L514 PolarHBondContact O-N 3.2Å
512	L	47.7	Very low	50.5	Low	116 Å²	116	58 Å²	58	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-58.7	-50.1	168.2	-77.3	168	0	0	0	110.9	A508 L514 S515 E516	A508-L512 PolarHBondContact O-N 3.39Å; L512-L514 VanDerWaalsContact C-N 3.28Å; L512-L514 PolarHBondContact O-N 2.78Å; L512-S515 WeakPolarHBondContact O-CB 3.28Å; L512-S515 PolarHBondContact O-N 3.21Å; L512-S515 PolarHBondContact O-OG 2.92Å; L512-E516 PolarHBondContact O-N 3.38Å
513	Q	57.9	Low	51.4	Low	60 Å²	60	57.5 Å²	57.5	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-29.8	179.4	-85.8	-179.1	48.8	0	0	115.1	K482 D509 I517	K482-Q513 VanDerWaalsContact NZ-CB 3.34Å; D509-Q513 VanDerWaalsContact CG-NE2 3.35Å; D509-Q513 WeakPolarHBondContact O-CB 3.43Å; D509-Q513 WeakPolarHBondContact O-CG 3.32Å; D509-Q513 PolarHBondContact O-N 2.79Å; D509-Q513 PolarHBondContact O-NE2 2.92Å; D509-Q513 PolarHBondContact OD1-NE2 3.05Å; Q513-I517 WeakPolarHBondContact O-CB 3.49Å; Q513-I517 WeakPolarHBondContact O-CD1 3.4Å; Q513-I517 WeakPolarHBondContact O-CG1 3.27Å; Q513-I517 PolarHBondContact O-N 3Å
514	L	62.2	Low	52.8	Low	25 Å²	25	58.5 Å²	58.5	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-71.4	-35.4	174.5	-79.7	168.2	0	0	0	111.8	L315 A510 D511 L512 E516 I517 L518	L315-L514 HydrophobicContact CD2-CD2 3.77Å; A510-L514 WeakPolarHBondContact O-CG 3.48Å; A510-L514 PolarHBondContact O-N 2.8Å; D511-L514 PolarHBondContact O-N 3.2Å; L512-L514 VanDerWaalsContact C-N 3.28Å; L512-L514 PolarHBondContact O-N 2.78Å; L514-E516 VanDerWaalsContact C-N 3.31Å; L514-I517 HydrophobicContact CD2-CD1 4.12Å; L514-L518 WeakPolarHBondContact O-CG 3.39Å; L514-L518 PolarHBondContact O-N 3.1Å
515	S	61.2	Low	53.9	Low	29 Å²	29	51.1 Å²	51.1	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-30.8	175.1	81.7	0	0	0	0	112.5	L512 K519	L512-S515 WeakPolarHBondContact O-CB 3.28Å; L512-S515 PolarHBondContact O-N 3.21Å; L512-S515 PolarHBondContact O-OG 2.92Å; S515-K519 WeakPolarHBondContact O-CD 3.32Å; S515-K519 WeakPolarHBondContact O-CG 3.36Å
516	E	63.3	Low	54.9	Low	79 Å²	79	45.5 Å²	45.5	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-76.6	-39.2	175.2	-65.7	-177.2	144.4	0	0	112.3	L512 L514 L518 K519 F520 P584 R589	L512-E516 PolarHBondContact O-N 3.38Å; L514-E516 VanDerWaalsContact C-N 3.31Å; E516-L518 PolarHBondContact O-N 3.2Å; E516-K519 PolarHBondContact O-N 3.39Å; E516-F520 PolarHBondContact O-N 2.99Å; E516-P584 HydrophobicContact CB-CG 4.44Å; E516-R589 IonicContact OE1-NH2 3.97Å
517	I	64.5	Low	56.2	Low	10 Å²	10	45.3 Å²	45.3	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-50.6	-43.5	171.1	-81.7	161.7	0	0	0	111.2	L315 V475 I478 K482 Q513 L514	L315-I517 HydrophobicContact CD1-CG2 4.4Å; V475-I517 HydrophobicContact CG1-CG2 3.46Å; V475-I517 VanDerWaalsContact CG1-CG2 3.46Å; I478-I517 HydrophobicContact CB-CG1 4.39Å; I478-I517 HydrophobicContact CD1-CB 4.4Å; I478-I517 HydrophobicContact CD1-CG2 4.27Å; I478-I517 WeakPolarHBondContact CD1-O 3.36Å; I478-I517 HydrophobicContact CG2-CG1 3.71Å; K482-I517 HydrophobicContact CD-CD1 4.1Å; Q513-I517 WeakPolarHBondContact O-CB 3.49Å; Q513-I517 WeakPolarHBondContact O-CD1 3.4Å; Q513-I517 WeakPolarHBondContact O-CG1 3.27Å; Q513-I517 PolarHBondContact O-N 3Å; L514-I517 HydrophobicContact CD2-CD1 4.12Å
518	L	63.8	Low	57.1	Low	7 Å²	7	43.9 Å²	43.9	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.9	-173.9	-67.6	167.6	0	0	0	114.2	F301 L311 I314 L318 L514 E516	F301-L518 HydrophobicContact CE1-CB 3.86Å; F301-L518 HydrophobicContact CE1-CD1 3.89Å; F301-L518 HydrophobicContact CZ-CB 4.25Å; F301-L518 HydrophobicContact CZ-CD1 4.18Å; L311-L518 HydrophobicContact CB-CD1 4.21Å; L311-L518 HydrophobicContact CD2-CD1 3.62Å; L311-L518 HydrophobicContact CG-CD1 4.42Å; I314-L518 HydrophobicContact CG2-CD2 4.03Å; L318-L518 HydrophobicContact CD1-CD2 3.43Å; L318-L518 VanDerWaalsContact CD1-CD2 3.43Å; L514-L518 WeakPolarHBondContact O-CG 3.39Å; L514-L518 PolarHBondContact O-N 3.1Å; E516-L518 PolarHBondContact O-N 3.2Å
519	K	63.3	Low	57.8	Low	57 Å²	57	49.4 Å²	49.4	25%	0.248	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-17.5	179.4	-71.9	172.4	-176.5	178.2	0	113.4	S515 E516 F592	S515-K519 WeakPolarHBondContact O-CD 3.32Å; S515-K519 WeakPolarHBondContact O-CG 3.36Å; E516-K519 PolarHBondContact O-N 3.39Å; K519-F592 HydrophobicContact CG-CD2 4.27Å; K519-F592 HydrophobicContact CG-CG 4.37Å
520	F	62.4	Low	58.3	Low	30 Å²	30	49.1 Å²	49.1	13%	0.132	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	140.2	-177.4	177.4	-87.7	0	0	0	112.4	I478 E516 L522	I478-F520 HydrophobicContact CD1-CB 3.55Å; I478-F520 HydrophobicContact CD1-CD1 3.53Å; I478-F520 HydrophobicContact CD1-CE1 4.42Å; I478-F520 HydrophobicContact CD1-CG 3.71Å; I478-F520 HydrophobicContact CG1-CD1 3.75Å; I478-F520 HydrophobicContact CG1-CE1 4.16Å; I478-F520 HydrophobicContact CG1-CG 4.23Å; E516-F520 PolarHBondContact O-N 2.99Å; F520-L522 PolarHBondContact O-N 2.75Å
521	G	59.7	Low	58.6	Low	3 Å²	3	50.7 Å²	50.7	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-3.1	174	0	0	0	0	0	114.7	D523 K524 L525 D588	G521-D523 VanDerWaalsContact C-N 3.32Å; G521-D523 PolarHBondContact O-N 3.29Å; G521-K524 PolarHBondContact O-N 3.36Å; G521-L525 WeakPolarHBondContact O-CG 3.48Å; G521-L525 PolarHBondContact O-N 3.16Å; G521-L525 VanDerWaalsContact O-N 3.14Å; G521-D588 PolarHBondContact N-OD1 2.75Å
522	L	64.4	Low	59	Low	7 Å²	7	50.6 Å²	50.6	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-40.1	-175.4	-173.2	57.1	0	0	0	111.9	L294 F520 K524 L525 L526 D588 F592 L595	L294-L522 HydrophobicContact CD1-CD1 3.76Å; F520-L522 PolarHBondContact O-N 2.75Å; L522-K524 PolarHBondContact O-N 3.21Å; L522-L525 PolarHBondContact O-N 3.43Å; L522-L526 HydrophobicContact CD1-CD1 4.23Å; L522-L526 HydrophobicContact CD1-CG 4.31Å; L522-L526 HydrophobicContact CG-CD1 3.95Å; L522-L526 HydrophobicContact CG-CG 4.47Å; L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 3.28Å; L522-D588 PolarHBondContact N-OD1 2.8Å; L522-F592 HydrophobicContact CD2-CB 3.83Å; L522-F592 HydrophobicContact CD2-CD2 3.8Å; L522-F592 HydrophobicContact CD2-CG 4.33Å; L522-L595 HydrophobicContact CD1-CD1 4.17Å; L522-L595 HydrophobicContact CD2-CD1 4.18Å; L522-L595 HydrophobicContact CG-CD1 4.43Å
523	D	59.6	Low	59.3	Low	29 Å²	29	48 Å²	48	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-48.4	179.4	-73.5	0.7	0	0	0	112.6	G521 L526 A527 E587 D588 S591	G521-D523 VanDerWaalsContact C-N 3.32Å; G521-D523 PolarHBondContact O-N 3.29Å; D523-L526 PolarHBondContact O-N 2.89Å; D523-A527 VanDerWaalsContact O-CB 3.31Å; D523-A527 WeakPolarHBondContact O-CB 3.32Å; D523-A527 PolarHBondContact O-N 2.98Å; D523-E587 WeakPolarHBondContact OD2-CA 3.36Å; D523-E587 WeakPolarHBondContact OD2-CB 3.49Å; D523-D588 PolarHBondContact N-OD1 3.03Å; D523-D588 WeakPolarHBondContact OD1-CA 3.41Å; D523-D588 PolarHBondContact OD1-N 2.62Å; D523-D588 WeakPolarHBondContact OD2-CA 3.36Å; D523-D588 PolarHBondContact OD2-N 3.26Å; D523-S591 WeakPolarHBondContact OD1-CB 3.3Å; D523-S591 PolarHBondContact OD1-OG 3.46Å
524	K	63	Low	59.1	Low	69 Å²	69	49.9 Å²	49.9	30%	0.3	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-36.1	-176.9	-61.5	177	-177.5	179.4	0	111.4	D473 G521 L522 L526 S528 Y580	D473-K524 HydrophobicContact CB-CD 4.39Å; D473-K524 VanDerWaalsContact OD1-CD 3.23Å; D473-K524 WeakPolarHBondContact OD1-CD 3.39Å; D473-K524 WeakPolarHBondContact OD1-CE 3.49Å; D473-K524 IonicContact OD1-NZ 2.67Å; D473-K524 PolarHBondContact OD1-NZ 2.8Å; D473-K524 WeakPolarHBondContact OD2-CD 3.25Å; D473-K524 IonicContact OD2-NZ 3.39Å; D473-K524 PolarHBondContact OD2-NZ 2.74Å; G521-K524 PolarHBondContact O-N 3.36Å; L522-K524 PolarHBondContact O-N 3.21Å; K524-L526 VanDerWaalsContact C-N 3.33Å; K524-S528 WeakPolarHBondContact O-CB 3.42Å; K524-S528 PolarHBondContact O-N 3.04Å; K524-S528 PolarHBondContact O-OG 3.21Å; K524-Y580 VanDerWaalsContact NZ-CE1 3.33Å
525	L	60.9	Low	58.5	Low	11 Å²	11	57.1 Å²	57.1	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-31.7	173.3	-70	173.1	0	0	0	112.1	M282 Y290 K291 G521 L522	M282-L525 HydrophobicContact SD-CD2 3.89Å; Y290-L525 HydrophobicContact CD1-CD1 3.86Å; Y290-L525 HydrophobicContact CE1-CD1 3.41Å; Y290-L525 VanDerWaalsContact CE1-CD1 3.41Å; K291-L525 WeakPolarHBondContact CE-O 3.48Å; K291-L525 PolarHBondContact NZ-O 3.03Å; G521-L525 WeakPolarHBondContact O-CG 3.48Å; G521-L525 PolarHBondContact O-N 3.16Å; G521-L525 VanDerWaalsContact O-N 3.14Å; L522-L525 PolarHBondContact O-N 3.43Å
526	L	59.6	Low	58.3	Low	45 Å²	45	58 Å²	58	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-75.1	-43.5	173.3	-71.6	170.3	0	0	0	112.2	K291 L522 D523 K524 S528 L595	K291-L526 HydrophobicContact CD-CD2 4.31Å; L522-L526 HydrophobicContact CD1-CD1 4.23Å; L522-L526 HydrophobicContact CD1-CG 4.31Å; L522-L526 HydrophobicContact CG-CD1 3.95Å; L522-L526 HydrophobicContact CG-CG 4.47Å; L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 3.28Å; D523-L526 PolarHBondContact O-N 2.89Å; K524-L526 VanDerWaalsContact C-N 3.33Å; L526-S528 VanDerWaalsContact C-N 3.3Å; L526-S528 PolarHBondContact O-N 2.89Å; L526-L595 HydrophobicContact CD1-CD1 3.91Å; L526-L595 HydrophobicContact CD1-CD2 4.36Å; L526-L595 HydrophobicContact CD1-CG 4.06Å; L526-L595 HydrophobicContact CD2-CD1 4.18Å; L526-L595 HydrophobicContact CD2-CD2 4.19Å
527	A	60.8	Low	58.2	Low	90 Å²	90	60.2 Å²	60.2	74%	0.744	34%	0.336	S	S	*	.	H	α-helix	trans	-70.7	-17.8	-178.2	0	0	0	0	0	114.7	D523	D523-A527 VanDerWaalsContact O-CB 3.31Å; D523-A527 WeakPolarHBondContact O-CB 3.32Å; D523-A527 PolarHBondContact O-N 2.98Å
528	S	55.6	Low	58.2	Low	33 Å²	33	60.5 Å²	60.5	23%	0.231	34%	0.338	C	S	.	.			trans	-110.7	92.5	-177.7	61.5	0	0	0	0	113.1	K287 K524 L526	K287-S528 PolarHBondContact NZ-O 3.36Å; K287-S528 PolarHBondContact NZ-OG 3.22Å; K524-S528 WeakPolarHBondContact O-CB 3.42Å; K524-S528 PolarHBondContact O-N 3.04Å; K524-S528 PolarHBondContact O-OG 3.21Å; L526-S528 VanDerWaalsContact C-N 3.3Å; L526-S528 PolarHBondContact O-N 2.89Å
529	E	48.8	Very low	58	Low	177 Å²	177	67 Å²	67	83%	0.827	37%	0.368	S	S	*	.			trans	-76.6	-19	177.2	-62.1	-160.1	141.1	0	0	114.3
530	G	52.2	Low	57.6	Low	46 Å²	46	68.8 Å²	68.8	47%	0.474	39%	0.388	S	S	.	.	S	Bend	trans	-85.3	168.8	176.4	0	0	0	0	0	114.6	K287 T532	K287-G530 PolarHBondContact NZ-O 3.03Å; G530-T532 PolarHBondContact O-N 3.36Å
531	S	52.6	Low	57.5	Low	82 Å²	82	70.6 Å²	70.6	57%	0.573	40%	0.398	S	S	*	.			trans	-66.6	123.3	167.5	42.4	0	0	0	0	110.6	M533	S531-M533 PolarHBondContact O-N 3.34Å
532	T	55.4	Low	57.5	Low	57 Å²	57	70.7 Å²	70.7	35%	0.35	40%	0.398	S	S	.	.			trans	-86.7	55.8	173.3	45.5	0	0	0	0	109.8	G281 G530	G281-T532 WeakPolarHBondContact CA-O 3.34Å; G530-T532 PolarHBondContact O-N 3.36Å
533	M	53.9	Low	57.2	Low	63 Å²	63	71.8 Å²	71.8	31%	0.31	41%	0.41	S	S	.	.			trans	-104.8	89.4	-176.1	-79.6	-70.5	143.9	0	0	109.3	G281 Q350 S531	G281-M533 WeakPolarHBondContact O-CE 3.45Å; Q350-M533 PolarHBondContact OE1-SD 2.85Å; S531-M533 PolarHBondContact O-N 3.34Å
534	D	53.2	Low	57.3	Low	98 Å²	98	75.8 Å²	75.8	52%	0.524	43%	0.428	S	S	.	.			trans	-81.4	153.3	172.9	-51.1	-40.7	0	0	0	109.9	R472	R472-D534 IonicContact NH1-OD2 2.65Å; R472-D534 PolarHBondContact NH1-OD2 3.13Å
535	E	50.2	Low	56.9	Low	178 Å²	178	74.6 Å²	74.6	83%	0.832	43%	0.427	S	S	*	.			trans	-72.9	134.8	168.6	-65.5	-173.3	152	0	0	109.6
536	I	58.3	Low	56.6	Low	48 Å²	48	79.5 Å²	79.5	25%	0.246	45%	0.448	C	S	.	.			trans	-117.6	110.6	-170.8	-64.3	170.5	0	0	0	108.6	L351 L538 I541	L351-I536 HydrophobicContact CD1-CD1 3.91Å; I536-L538 VanDerWaalsContact C-N 3.33Å; I536-L538 HydrophobicContact CG2-CD2 3.96Å; I536-L538 HydrophobicContact CG2-CG 4.36Å; I536-L538 PolarHBondContact O-N 3.47Å; I536-I541 HydrophobicContact CG2-CD1 3.53Å
537	D	60	Low	56.4	Low	124 Å²	124	85.2 Å²	85.2	66%	0.663	48%	0.478	S	S	*	.			trans	-75.9	80.7	176.7	-71.8	-27.8	0	0	0	111	E539 S540 I541	D537-E539 PolarHBondContact O-N 2.64Å; D537-S540 PolarHBondContact O-N 2.95Å; D537-S540 VanDerWaalsContact O-N 3.1Å; D537-S540 PolarHBondContact O-OG 2.97Å; D537-I541 PolarHBondContact O-N 3.07Å
538	L	64.3	Low	56.3	Low	17 Å²	17	81.7 Å²	81.7	9%	0.089	45%	0.451	C	S	.	.	H	α-helix	trans	-54.2	-35.1	-175.4	-70.1	172.1	0	0	0	113.9	L351 K354 L355 F358 I536 S540 I541 L542	L351-L538 HydrophobicContact CD1-CD2 4.41Å; K354-L538 HydrophobicContact CB-CD1 3.9Å; L355-L538 HydrophobicContact CD1-CD2 4.39Å; F358-L538 HydrophobicContact CB-CD1 4.35Å; I536-L538 VanDerWaalsContact C-N 3.33Å; I536-L538 HydrophobicContact CG2-CD2 3.96Å; I536-L538 HydrophobicContact CG2-CG 4.36Å; I536-L538 PolarHBondContact O-N 3.47Å; L538-S540 PolarHBondContact O-N 2.91Å; L538-I541 PolarHBondContact O-N 3.16Å; L538-L542 HydrophobicContact CB-CD1 4.27Å; L538-L542 HydrophobicContact CD2-CD1 4.36Å; L538-L542 VanDerWaalsContact O-CB 3.32Å; L538-L542 WeakPolarHBondContact O-CB 3.46Å; L538-L542 WeakPolarHBondContact O-CG 3.39Å; L538-L542 PolarHBondContact O-N 2.65Å
539	E	58.9	Low	56.6	Low	142 Å²	142	85.1 Å²	85.1	66%	0.664	46%	0.463	S	S	*	.	H	α-helix	trans	-61.9	-42.5	178.2	-71.1	179.1	-179.3	0	0	112	F358 D537 I541 G543	F358-E539 HydrophobicContact CD2-CG 4.4Å; F358-E539 HydrophobicContact CE2-CG 3.53Å; F358-E539 HydrophobicContact CZ-CG 4.02Å; D537-E539 PolarHBondContact O-N 2.64Å; E539-I541 VanDerWaalsContact C-N 3.31Å; E539-I541 PolarHBondContact O-N 3.11Å; E539-G543 WeakPolarHBondContact O-CA 3.16Å; E539-G543 PolarHBondContact O-N 3.27Å
540	S	56	Low	57.8	Low	95 Å²	95	77.4 Å²	77.4	66%	0.664	43%	0.427	S	S	*	.	H	α-helix	trans	-68.5	-28.9	177.8	74.3	0	0	0	0	113.5	D537 L538	D537-S540 PolarHBondContact O-N 2.95Å; D537-S540 VanDerWaalsContact O-N 3.1Å; D537-S540 PolarHBondContact O-OG 2.97Å; L538-S540 PolarHBondContact O-N 2.91Å
541	I	60.1	Low	58.4	Low	69 Å²	69	77.7 Å²	77.7	35%	0.354	42%	0.419	S	S	.	.	H	α-helix	trans	-89.7	-35.6	-174.2	-64.3	168.2	0	0	0	111.4	V276 I536 D537 L538 E539	V276-I541 HydrophobicContact CG1-CG2 4.26Å; I536-I541 HydrophobicContact CG2-CD1 3.53Å; D537-I541 PolarHBondContact O-N 3.07Å; L538-I541 PolarHBondContact O-N 3.16Å; E539-I541 VanDerWaalsContact C-N 3.31Å; E539-I541 PolarHBondContact O-N 3.11Å
542	L	59.7	Low	58.3	Low	5 Å²	5	77.3 Å²	77.3	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-94.2	-24.4	-177.6	-60.7	172.1	0	0	0	112.6	I278 L355 F358 K465 I467 L538 W550	I278-L542 HydrophobicContact CD1-CD2 4.27Å; L355-L542 HydrophobicContact CD1-CD1 3.6Å; F358-L542 HydrophobicContact CD1-CD1 3.92Å; F358-L542 HydrophobicContact CE1-CD1 3.98Å; K465-L542 HydrophobicContact CD-CD2 3.85Å; K465-L542 WeakPolarHBondContact CE-O 3.23Å; K465-L542 PolarHBondContact NZ-O 3.46Å; I467-L542 HydrophobicContact CD1-CD2 3.82Å; I467-L542 HydrophobicContact CG1-CD2 4.37Å; L538-L542 HydrophobicContact CB-CD1 4.27Å; L538-L542 HydrophobicContact CD2-CD1 4.36Å; L538-L542 VanDerWaalsContact O-CB 3.32Å; L538-L542 WeakPolarHBondContact O-CB 3.46Å; L538-L542 WeakPolarHBondContact O-CG 3.39Å; L538-L542 PolarHBondContact O-N 2.65Å; L542-W550 HydrophobicContact CB-CH2 3.87Å; L542-W550 HydrophobicContact CB-CZ3 3.8Å; L542-W550 HydrophobicContact CD1-CH2 4.3Å
543	G	57.9	Low	57.8	Low	29 Å²	29	80.1 Å²	80.1	30%	0.299	43%	0.43	S	S	.	.			trans	86.3	165.9	-176.2	0	0	0	0	0	113.1	E539	E539-G543 WeakPolarHBondContact O-CA 3.16Å; E539-G543 PolarHBondContact O-N 3.27Å
544	E	61.2	Low	57	Low	113 Å²	113	81.5 Å²	81.5	53%	0.528	45%	0.451	S	S	.	.			trans	-63.3	140.7	-178.1	-68.8	-171.8	179.8	0	0	112.9	K546 V551	E544-K546 WeakPolarHBondContact OE2-CE 3.47Å; E544-K546 IonicContact OE2-NZ 3.63Å; E544-K546 PolarHBondContact OE2-NZ 2.8Å; E544-V551 WeakPolarHBondContact O-CB 3.18Å; E544-V551 WeakPolarHBondContact O-CG2 3.31Å; E544-V551 PolarHBondContact O-N 2.89Å
545	T	54.9	Low	55.9	Low	44 Å²	44	83.8 Å²	83.8	27%	0.27	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.2	169.1	47.4	0	0	0	0	110	H364 Q549 W550	H364-T545 VanDerWaalsContact NE2-CG2 3.33Å; H364-T545 WeakPolarHBondContact NE2-CG2 3.5Å; T545-Q549 WeakPolarHBondContact CA-O 3.5Å; T545-W550 HydrophobicContact CG2-CD2 4Å; T545-W550 HydrophobicContact CG2-CE3 3.39Å; T545-W550 HydrophobicContact CG2-CH2 4.06Å; T545-W550 HydrophobicContact CG2-CZ3 3.42Å; T545-W550 VanDerWaalsContact CG2-CZ3 3.42Å
546	K	55.9	Low	55	Low	115 Å²	115	81.2 Å²	81.2	50%	0.5	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	175	-71.7	175.2	-179.6	140.7	0	108.6	E544 G548 Q549 V551	E544-K546 WeakPolarHBondContact OE2-CE 3.47Å; E544-K546 IonicContact OE2-NZ 3.63Å; E544-K546 PolarHBondContact OE2-NZ 2.8Å; K546-G548 PolarHBondContact O-N 2.85Å; K546-G548 VanDerWaalsContact O-N 3.13Å; K546-Q549 PolarHBondContact N-O 2.96Å; K546-Q549 VanDerWaalsContact N-O 3.09Å; K546-Q549 PolarHBondContact O-N 3.43Å; K546-V551 HydrophobicContact CB-CG2 3.92Å; K546-V551 HydrophobicContact CD-CG2 3.92Å; K546-V551 HydrophobicContact CG-CG2 3.88Å
547	D	54.2	Low	53.5	Low	164 Å²	164	83.5 Å²	83.5	88%	0.877	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	39.8	179.5	-55.3	-43.2	0	0	0	114.9	Q549	D547-Q549 VanDerWaalsContact C-N 3.32Å; D547-Q549 PolarHBondContact O-N 2.8Å
548	G	58.8	Low	52	Low	17 Å²	17	82.4 Å²	82.4	18%	0.175	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	29.2	-179.5	0	0	0	0	0	114.6	G362 H364 K462 K546	G362-G548 WeakPolarHBondContact O-CA 3.49Å; H364-G548 PolarHBondContact CE1-O 3.17Å; K462-G548 PolarHBondContact NZ-O 3.19Å; K546-G548 PolarHBondContact O-N 2.85Å; K546-G548 VanDerWaalsContact O-N 3.13Å
549	Q	63	Low	50.4	Low	104 Å²	104	90.7 Å²	90.7	49%	0.486	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.5	173	-57.8	-175.8	39.2	0	0	110.2	T545 K546 D547 V551	T545-Q549 WeakPolarHBondContact CA-O 3.5Å; K546-Q549 PolarHBondContact N-O 2.96Å; K546-Q549 VanDerWaalsContact N-O 3.09Å; K546-Q549 PolarHBondContact O-N 3.43Å; D547-Q549 VanDerWaalsContact C-N 3.32Å; D547-Q549 PolarHBondContact O-N 2.8Å; Q549-V551 PolarHBondContact O-N 3.18Å
550	W	72.6	Confident	48.9	Very low	15 Å²	15	88 Å²	88	6%	0.057	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120	174.5	-67.5	112	0	0	0	110.5	F358 L359 H364 T435 K465 L542 T545 S552	F358-W550 HydrophobicContact CE1-CH2 4.2Å; L359-W550 HydrophobicContact CD2-CH2 4.02Å; L359-W550 HydrophobicContact CD2-CZ2 3.59Å; H364-W550 AromaticContact CE1-NE1 3.86Å; H364-W550 AromaticContact ND1-NE1 3.9Å; T435-W550 PolarHBondContact OG1-NE1 3.27Å; K465-W550 HydrophobicContact CB-CD2 4.41Å; K465-W550 HydrophobicContact CB-CG 4.5Å; K465-W550 HydrophobicContact CB-CZ2 4.36Å; K465-W550 HydrophobicContact CD-CD2 4.28Å; K465-W550 HydrophobicContact CD-CE3 4.35Å; K465-W550 HydrophobicContact CD-CH2 3.91Å; K465-W550 HydrophobicContact CD-CZ2 3.78Å; K465-W550 HydrophobicContact CD-CZ3 4.19Å; K465-W550 VanDerWaalsContact CE-CD2 3.42Å; L542-W550 HydrophobicContact CB-CH2 3.87Å; L542-W550 HydrophobicContact CB-CZ3 3.8Å; L542-W550 HydrophobicContact CD1-CH2 4.3Å; T545-W550 HydrophobicContact CG2-CD2 4Å; T545-W550 HydrophobicContact CG2-CE3 3.39Å; T545-W550 HydrophobicContact CG2-CH2 4.06Å; T545-W550 HydrophobicContact CG2-CZ3 3.42Å; T545-W550 VanDerWaalsContact CG2-CZ3 3.42Å; W550-S552 PolarHBondContact O-N 3.49Å
551	V	66.3	Low	47.4	Very low	53 Å²	53	87.2 Å²	87.2	32%	0.321	55%	0.551	S	S	.	*			trans	-72.5	124.3	171.8	-174.5	0	0	0	0	108.2	E544 K546 Q549 D553	E544-V551 WeakPolarHBondContact O-CB 3.18Å; E544-V551 WeakPolarHBondContact O-CG2 3.31Å; E544-V551 PolarHBondContact O-N 2.89Å; K546-V551 HydrophobicContact CB-CG2 3.92Å; K546-V551 HydrophobicContact CD-CG2 3.92Å; K546-V551 HydrophobicContact CG-CG2 3.88Å; Q549-V551 PolarHBondContact O-N 3.18Å; V551-D553 WeakPolarHBondContact CG1-OD1 3.47Å; V551-D553 PolarHBondContact O-N 2.9Å
552	S	49.6	Very low	46	Very low	73 Å²	73	89.8 Å²	89.8	51%	0.51	58%	0.575	S	S	.	*			trans	-88.4	81.8	173.5	-64.5	0	0	0	0	109.2	W550 A554	W550-S552 PolarHBondContact O-N 3.49Å; S552-A554 PolarHBondContact O-N 2.73Å
553	D	44.7	Very low	44.3	Very low	117 Å²	117	100.5 Å²	100.5	63%	0.626	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-61.8	119.3	175.5	-81.7	-14.8	0	0	0	110.4	V551	V551-D553 WeakPolarHBondContact CG1-OD1 3.47Å; V551-D553 PolarHBondContact O-N 2.9Å
554	A	36.4	Very low	42.8	Very low	91 Å²	91	106 Å²	106	75%	0.752	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-65.4	129.3	148	0	0	0	0	0	106.9	S552	S552-A554 PolarHBondContact O-N 2.73Å
555	L	30.7	Very low	41.2	Very low	146 Å²	146	110.3 Å²	110.3	76%	0.764	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-48.7	140.8	173	-73.5	157	0	0	0	110	A557	L555-A557 PolarHBondContact O-N 2.8Å; L555-A557 VanDerWaalsContact O-N 3.13Å
556	P	32	Very low	39.9	Very low	124 Å²	124	117.3 Å²	117.3	81%	0.805	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-54.2	123.2	177.2	-25	33.7	0	0	0	110.4	A558	P556-A558 PolarHBondContact O-N 3.49Å
557	A	26.9	Very low	38.5	Very low	96 Å²	96	120.6 Å²	120.6	79%	0.793	71%	0.705	S	S	*	*			trans	-65.6	105.1	174.4	0	0	0	0	0	108.6	L555 E559	L555-A557 PolarHBondContact O-N 2.8Å; L555-A557 VanDerWaalsContact O-N 3.13Å; A557-E559 PolarHBondContact O-N 2.82Å
558	A	28.8	Very low	37.1	Very low	102 Å²	102	116 Å²	116	84%	0.843	70%	0.696	S	S	*	*			trans	-64.9	115.9	172.7	0	0	0	0	0	109	P556 G560	P556-A558 PolarHBondContact O-N 3.49Å; A558-G560 PolarHBondContact O-N 3.47Å
559	E	28.7	Very low	35.7	Very low	191 Å²	191	124 Å²	124	89%	0.893	73%	0.726	S	S	*	*			trans	-67.7	128.9	-179.1	-64.9	-173	136.5	0	0	111.7	A557	A557-E559 PolarHBondContact O-N 2.82Å
560	G	28.9	Very low	34	Very low	86 Å²	86	126.5 Å²	126.5	89%	0.887	74%	0.743	S	S	*	*	S	Bend	trans	53.7	80.4	148.1	0	0	0	0	0	119	A558	A558-G560 PolarHBondContact O-N 3.47Å
561	G	24.5	Very low	32	Very low	78 Å²	78	131.3 Å²	131.3	80%	0.804	77%	0.765	S	S	*	*			trans	-161.7	100.4	166	0	0	0	0	0	113.3	R563	G561-R563 PolarHBondContact O-N 3.42Å
562	S	29.8	Very low	30.2	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	79%	0.794	S	S	*	*			trans	-72.5	115.1	-177.5	55.4	0	0	0	0	113.1
563	R	25	Very low	29.6	Very low	230 Å²	230	142.6 Å²	142.6	87%	0.868	80%	0.803	S	S	*	*			trans	-160.8	125	153.6	-117.8	170.7	178.3	164.1	0	112	G561	G561-R563 PolarHBondContact O-N 3.42Å
564	D	26.8	Very low	28.7	Very low	145 Å²	145	145 Å²	145	78%	0.775	82%	0.815	S	S	*	*			trans	40.5	120.4	155.7	-49.2	-32.3	0	0	0	119.7	E566	D564-E566 PolarHBondContact O-N 3.41Å
565	Q	27.1	Very low	28.2	Very low	204 Å²	204	149.7 Å²	149.7	95%	0.953	82%	0.819	S	S	*	*			trans	-75.3	99.9	177.5	-67.7	173.6	-6.9	0	0	111.3
566	E	26.9	Very low	27.9	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	81%	0.812	S	S	*	*			trans	-92.6	135	151	-71.6	-166.1	157	0	0	109.6	D564 G568	D564-E566 PolarHBondContact O-N 3.41Å; E566-G568 PolarHBondContact O-N 3.39Å
567	E	27.7	Very low	27.8	Very low	185 Å²	185	147.7 Å²	147.7	86%	0.864	82%	0.819	S	S	*	*			trans	-67.4	106.6	-173.7	-64.9	179.4	141.1	0	0	111.6	K569	E567-K569 PolarHBondContact O-N 2.81Å
568	G	24	Very low	28	Very low	68 Å²	68	149.1 Å²	149.1	70%	0.701	81%	0.807	S	S	*	*			trans	-62.8	92.8	179	0	0	0	0	0	113.1	E566 N570	E566-G568 PolarHBondContact O-N 3.39Å; G568-N570 PolarHBondContact O-N 3.41Å; G568-N570 VanDerWaalsContact O-N 3.11Å
569	K	28.4	Very low	28.1	Very low	183 Å²	183	150.8 Å²	150.8	80%	0.796	80%	0.802	S	S	*	*			trans	-65.3	106.7	166.6	-72.2	175.5	-178.8	169.5	0	109.2	E567 H571	E567-K569 PolarHBondContact O-N 2.81Å; K569-H571 PolarHBondContact O-N 2.96Å
570	N	28.1	Very low	28.7	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	78%	0.778	S	S	*	*			trans	-68.8	69.8	174.8	-76.8	-32.6	0	0	0	112.3	G568	G568-N570 PolarHBondContact O-N 3.41Å; G568-N570 VanDerWaalsContact O-N 3.11Å
571	H	30.2	Very low	29.1	Very low	116 Å²	116	146.1 Å²	146.1	54%	0.537	76%	0.763	S	S	.	*			trans	-123.5	104.9	164.5	-74.3	-57.4	0	0	0	108.6	K569 Y573	K569-H571 PolarHBondContact O-N 2.96Å; H571-Y573 HydrophobicContact CB-CD2 3.73Å; H571-Y573 HydrophobicContact CB-CE2 3.77Å; H571-Y573 PolarHBondContact O-N 3Å
572	M	29	Very low	29.9	Very low	188 Å²	188	150.5 Å²	150.5	93%	0.926	76%	0.76	S	S	*	*			trans	-75	78.7	178.1	-169.7	153.2	66.5	0	0	110.4
573	Y	36.9	Very low	30.8	Very low	176 Å²	176	152.2 Å²	152.2	69%	0.69	75%	0.754	S	S	*	*			trans	-94	123.5	164.2	-74.4	-85.6	0	0	0	108.9	H571	H571-Y573 HydrophobicContact CB-CD2 3.73Å; H571-Y573 HydrophobicContact CB-CE2 3.77Å; H571-Y573 PolarHBondContact O-N 3Å
574	L	25.6	Very low	32	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	72%	0.719	S	S	*	*			trans	-152.2	151.4	157.3	-142.7	74.3	0	0	0	111.6
575	F	25.9	Very low	33.4	Very low	190 Å²	190	137 Å²	137	83%	0.833	69%	0.694	S	S	*	*	S	Bend	trans	66.2	100.5	-173.1	-110.8	-96.8	0	0	0	114.9
576	E	24.6	Very low	34.8	Very low	136 Å²	136	135.5 Å²	135.5	64%	0.636	68%	0.684	S	S	*	*	S	Bend	cis	-110.7	160.6	8.6	-56.8	-177.2	139.7	0	0	112.7	K578	E576-K578 PolarHBondContact O-N 3.15Å
577	G	30.5	Very low	36.2	Very low	92 Å²	92	132.3 Å²	132.3	95%	0.948	67%	0.669	S	S	*	*			trans	-71.7	61.3	179.5	0	0	0	0	0	115.5
578	K	29.9	Very low	37.5	Very low	126 Å²	126	124.1 Å²	124.1	55%	0.548	63%	0.632	S	S	.	*			trans	-131.5	112.3	170.4	-76.6	171.6	-175.2	157.1	0	110.1	E576 Y580	E576-K578 PolarHBondContact O-N 3.15Å; K578-Y580 HydrophobicContact CB-CD2 4.1Å; K578-Y580 HydrophobicContact CB-CE1 4.26Å; K578-Y580 HydrophobicContact CB-CE2 3.56Å; K578-Y580 HydrophobicContact CD-CE1 4.4Å; K578-Y580 HydrophobicContact CD-CE2 4.43Å; K578-Y580 VanDerWaalsContact CD-OH 3.22Å; K578-Y580 WeakPolarHBondContact CD-OH 3.35Å; K578-Y580 WeakPolarHBondContact O-CD2 3.42Å; K578-Y580 PolarHBondContact O-N 2.89Å; K578-Y580 VanDerWaalsContact O-N 3.09Å
579	D	32.7	Very low	39.2	Very low	137 Å²	137	126 Å²	126	73%	0.733	62%	0.618	S	S	*	*			trans	-73.6	95.9	173.3	-175.3	23.2	0	0	0	109.9	S581	D579-S581 PolarHBondContact O-N 2.85Å; D579-S581 PolarHBondContact OD2-OG 2.85Å; D579-S581 VanDerWaalsContact OD2-OG 3.06Å
580	Y	39.7	Very low	40.8	Very low	97 Å²	97	123 Å²	123	38%	0.38	61%	0.605	S	S	.	*			trans	-82	44.5	-179	-67.4	-75.1	0	0	0	112.5	R481 K524 K578 K582	R481-Y580 PolarHBondContact NH1-O 3.35Å; K524-Y580 VanDerWaalsContact NZ-CE1 3.33Å; K578-Y580 HydrophobicContact CB-CD2 4.1Å; K578-Y580 HydrophobicContact CB-CE1 4.26Å; K578-Y580 HydrophobicContact CB-CE2 3.56Å; K578-Y580 HydrophobicContact CD-CE1 4.4Å; K578-Y580 HydrophobicContact CD-CE2 4.43Å; K578-Y580 VanDerWaalsContact CD-OH 3.22Å; K578-Y580 WeakPolarHBondContact CD-OH 3.35Å; K578-Y580 WeakPolarHBondContact O-CD2 3.42Å; K578-Y580 PolarHBondContact O-N 2.89Å; K578-Y580 VanDerWaalsContact O-N 3.09Å; Y580-K582 PolarHBondContact O-N 3.3Å
581	S	38	Very low	42.4	Very low	82 Å²	82	116.9 Å²	116.9	57%	0.573	57%	0.574	S	S	*	*			trans	-78.3	12.2	-179.5	55.2	0	0	0	0	114.5	D579	D579-S581 PolarHBondContact O-N 2.85Å; D579-S581 PolarHBondContact OD2-OG 2.85Å; D579-S581 VanDerWaalsContact OD2-OG 3.06Å
582	K	41.1	Very low	43.8	Very low	170 Å²	170	112.4 Å²	112.4	74%	0.739	55%	0.553	S	S	*	*	S	Bend	trans	-107	139.8	-173.6	-65.7	-179.4	-177.8	174	0	112.6	Y580	Y580-K582 PolarHBondContact O-N 3.3Å
583	E	48.9	Very low	45.5	Very low	157 Å²	157	108.9 Å²	108.9	73%	0.734	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-47.6	157.9	163.9	-68.2	171	-172.1	0	0	112	S585	E583-S585 PolarHBondContact O-N 3.02Å
584	P	49.1	Very low	46.9	Very low	19 Å²	19	106 Å²	106	12%	0.123	53%	0.527	C	S	.	.	S	Bend	trans	-46.9	126.4	179.1	18	-33.1	0	0	0	111.3	E516 D588	E516-P584 HydrophobicContact CB-CG 4.44Å; P584-D588 HydrophobicContact CB-CB 4.43Å
585	S	56.6	Low	48.6	Very low	37 Å²	37	99.3 Å²	99.3	26%	0.259	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-59.4	157.5	-167.2	-173.7	0	0	0	0	111.3	E583 E587 D588 R589	E583-S585 PolarHBondContact O-N 3.02Å; S585-E587 PolarHBondContact O-N 3.22Å; S585-E587 VanDerWaalsContact O-N 3.17Å; S585-E587 PolarHBondContact OG-N 2.83Å; S585-E587 VanDerWaalsContact OG-N 3.14Å; S585-E587 PolarHBondContact OG-OE2 3.1Å; S585-D588 WeakPolarHBondContact CB-OD2 3.4Å; S585-D588 PolarHBondContact N-OD2 2.86Å; S585-D588 PolarHBondContact O-N 2.77Å; S585-R589 PolarHBondContact O-N 3.34Å
586	K	57.6	Low	50.4	Low	172 Å²	172	91.1 Å²	91.1	75%	0.748	46%	0.457	S	S	*	.	H	α-helix	trans	-61.3	-16.9	164.1	-67.7	-176.2	-179.8	178.8	0	111.5	K590	K586-K590 WeakPolarHBondContact O-CD 3.28Å; K586-K590 VanDerWaalsContact O-CG 3.23Å; K586-K590 WeakPolarHBondContact O-CG 3.2Å
587	E	55.6	Low	52.4	Low	123 Å²	123	89.2 Å²	89.2	58%	0.575	45%	0.452	S	S	*	.	H	α-helix	trans	-79	-50.9	170.6	-61.4	130	173.7	0	0	110.8	D523 S585 R589 K590 S591	D523-E587 WeakPolarHBondContact OD2-CA 3.36Å; D523-E587 WeakPolarHBondContact OD2-CB 3.49Å; S585-E587 PolarHBondContact O-N 3.22Å; S585-E587 VanDerWaalsContact O-N 3.17Å; S585-E587 PolarHBondContact OG-N 2.83Å; S585-E587 VanDerWaalsContact OG-N 3.14Å; S585-E587 PolarHBondContact OG-OE2 3.1Å; E587-R589 PolarHBondContact O-N 3.45Å; E587-R589 VanDerWaalsContact O-N 3.09Å; E587-K590 CarbonylContact O-C 3.6Å; E587-K590 WeakPolarHBondContact O-CA 3.22Å; E587-K590 WeakPolarHBondContact O-CB 3.17Å; E587-K590 PolarHBondContact O-N 3.27Å; E587-S591 PolarHBondContact O-N 2.93Å
588	D	56.1	Low	54	Low	14 Å²	14	89.8 Å²	89.8	8%	0.075	43%	0.432	C	S	.	.	H	α-helix	trans	-50.3	-42	177.3	-72.6	-59.8	0	0	0	112.4	G521 L522 D523 P584 S585 F592	G521-D588 PolarHBondContact N-OD1 2.75Å; L522-D588 PolarHBondContact N-OD1 2.8Å; D523-D588 PolarHBondContact N-OD1 3.03Å; D523-D588 WeakPolarHBondContact OD1-CA 3.41Å; D523-D588 PolarHBondContact OD1-N 2.62Å; D523-D588 WeakPolarHBondContact OD2-CA 3.36Å; D523-D588 PolarHBondContact OD2-N 3.26Å; P584-D588 HydrophobicContact CB-CB 4.43Å; S585-D588 WeakPolarHBondContact CB-OD2 3.4Å; S585-D588 PolarHBondContact N-OD2 2.86Å; S585-D588 PolarHBondContact O-N 2.77Å; D588-F592 WeakPolarHBondContact O-CB 3.27Å; D588-F592 PolarHBondContact O-N 3.35Å; D588-F592 VanDerWaalsContact O-N 3.08Å
589	R	58.3	Low	55.2	Low	107 Å²	107	86.2 Å²	86.2	40%	0.404	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176	-62.7	178.5	-171.8	-153.3	-3.3	112.2	E516 S585 E587 E593	E516-R589 IonicContact OE1-NH2 3.97Å; S585-R589 PolarHBondContact O-N 3.34Å; E587-R589 PolarHBondContact O-N 3.45Å; E587-R589 VanDerWaalsContact O-N 3.09Å; R589-E593 VanDerWaalsContact O-CG 3.31Å; R589-E593 WeakPolarHBondContact O-CG 3.43Å; R589-E593 PolarHBondContact O-N 3.03Å
590	K	62.7	Low	56.6	Low	121 Å²	121	83.9 Å²	83.9	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-72.1	-40.5	178.8	-75.3	171.9	-178	179.2	0	112.8	K586 E587 F592 E593 Q594	K586-K590 WeakPolarHBondContact O-CD 3.28Å; K586-K590 VanDerWaalsContact O-CG 3.23Å; K586-K590 WeakPolarHBondContact O-CG 3.2Å; E587-K590 CarbonylContact O-C 3.6Å; E587-K590 WeakPolarHBondContact O-CA 3.22Å; E587-K590 WeakPolarHBondContact O-CB 3.17Å; E587-K590 PolarHBondContact O-N 3.27Å; K590-F592 VanDerWaalsContact C-N 3.35Å; K590-E593 CarbonylContact O-C 3.51Å; K590-E593 WeakPolarHBondContact O-CB 3.4Å; K590-E593 PolarHBondContact O-N 3.14Å; K590-Q594 WeakPolarHBondContact O-CB 3.49Å; K590-Q594 VanDerWaalsContact O-CG 3.25Å; K590-Q594 WeakPolarHBondContact O-CG 3.35Å; K590-Q594 PolarHBondContact O-N 3.02Å
591	S	61.6	Low	57.9	Low	27 Å²	27	82 Å²	82	19%	0.189	40%	0.4	C	S	.	.	H	α-helix	trans	-74.5	-28.6	177.7	-66.1	0	0	0	0	112.1	D523 E587 Q594 L595	D523-S591 WeakPolarHBondContact OD1-CB 3.3Å; D523-S591 PolarHBondContact OD1-OG 3.46Å; E587-S591 PolarHBondContact O-N 2.93Å; S591-Q594 PolarHBondContact O-N 2.8Å; S591-Q594 PolarHBondContact OG-OE1 2.75Å; S591-L595 WeakPolarHBondContact O-CB 3.42Å; S591-L595 WeakPolarHBondContact O-CG 3.25Å; S591-L595 PolarHBondContact O-N 2.92Å
592	F	58.8	Low	59.1	Low	23 Å²	23	83.4 Å²	83.4	10%	0.101	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-50.4	163.4	-174.6	-93.9	0	0	0	111.3	L298 F301 K519 L522 D588 K590 Q594 L595 V596	L298-F592 HydrophobicContact CD2-CE2 4.31Å; L298-F592 HydrophobicContact CD2-CZ 4.28Å; F301-F592 HydrophobicContact CB-CZ 4.11Å; F301-F592 HydrophobicContact CD1-CE2 4.48Å; F301-F592 HydrophobicContact CD1-CZ 4.04Å; F301-F592 HydrophobicContact CD2-CE2 4.45Å; F301-F592 AromaticContact CD2-CZ 3.97Å; F301-F592 HydrophobicContact CD2-CZ 3.97Å; F301-F592 HydrophobicContact CE1-CE2 4.45Å; F301-F592 HydrophobicContact CE1-CZ 4.44Å; F301-F592 HydrophobicContact CE2-CE2 4.41Å; F301-F592 HydrophobicContact CE2-CZ 4.39Å; F301-F592 HydrophobicContact CG-CE2 4.47Å; F301-F592 AromaticContact CG-CZ 3.77Å; F301-F592 HydrophobicContact CG-CZ 3.77Å; F301-F592 HydrophobicContact CZ-CE2 4.41Å; K519-F592 HydrophobicContact CG-CD2 4.27Å; K519-F592 HydrophobicContact CG-CG 4.37Å; L522-F592 HydrophobicContact CD2-CB 3.83Å; L522-F592 HydrophobicContact CD2-CD2 3.8Å; L522-F592 HydrophobicContact CD2-CG 4.33Å; D588-F592 WeakPolarHBondContact O-CB 3.27Å; D588-F592 PolarHBondContact O-N 3.35Å; D588-F592 VanDerWaalsContact O-N 3.08Å; K590-F592 VanDerWaalsContact C-N 3.35Å; F592-Q594 VanDerWaalsContact C-N 3.34Å; F592-Q594 PolarHBondContact O-N 3.46Å; F592-L595 PolarHBondContact O-N 3.44Å; F592-V596 HydrophobicContact CD1-CG2 4.1Å; F592-V596 HydrophobicContact CE1-CG2 3.77Å; F592-V596 HydrophobicContact CZ-CG2 4.12Å; F592-V596 VanDerWaalsContact O-CG2 3.28Å; F592-V596 WeakPolarHBondContact O-CG2 3.27Å; F592-V596 PolarHBondContact O-N 3.16Å
593	E	64.8	Low	59.7	Low	114 Å²	114	80.9 Å²	80.9	53%	0.533	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-39.2	175.4	-73.4	165.8	-168.1	0	0	112.8	R589 K590 V596 N597	R589-E593 VanDerWaalsContact O-CG 3.31Å; R589-E593 WeakPolarHBondContact O-CG 3.43Å; R589-E593 PolarHBondContact O-N 3.03Å; K590-E593 CarbonylContact O-C 3.51Å; K590-E593 WeakPolarHBondContact O-CB 3.4Å; K590-E593 PolarHBondContact O-N 3.14Å; E593-V596 PolarHBondContact O-N 2.96Å; E593-N597 WeakPolarHBondContact O-CB 3.36Å; E593-N597 PolarHBondContact O-N 3.39Å; E593-N597 PolarHBondContact O-ND2 2.88Å; E593-N597 VanDerWaalsContact O-ND2 3.11Å
594	Q	66.4	Low	60.3	Low	115 Å²	115	78.8 Å²	78.8	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.7	-73.1	167.8	-6.8	0	0	112.3	K590 S591 F592 N597 L598	K590-Q594 WeakPolarHBondContact O-CB 3.49Å; K590-Q594 VanDerWaalsContact O-CG 3.25Å; K590-Q594 WeakPolarHBondContact O-CG 3.35Å; K590-Q594 PolarHBondContact O-N 3.02Å; S591-Q594 PolarHBondContact O-N 2.8Å; S591-Q594 PolarHBondContact OG-OE1 2.75Å; F592-Q594 VanDerWaalsContact C-N 3.34Å; F592-Q594 PolarHBondContact O-N 3.46Å; Q594-N597 PolarHBondContact O-N 2.7Å; Q594-L598 WeakPolarHBondContact O-CB 3.46Å; Q594-L598 PolarHBondContact O-N 2.98Å
595	L	62.2	Low	60.9	Low	26 Å²	26	83.4 Å²	83.4	14%	0.136	40%	0.402	C	S	.	.	H	α-helix	trans	-62.7	-43.9	173.4	-76.8	-170.9	0	0	0	111.5	M295 L522 L526 S591 F592 N597 L598 Q599	M295-L595 HydrophobicContact CE-CD1 4.38Å; M295-L595 HydrophobicContact CE-CD2 3.74Å; L522-L595 HydrophobicContact CD1-CD1 4.17Å; L522-L595 HydrophobicContact CD2-CD1 4.18Å; L522-L595 HydrophobicContact CG-CD1 4.43Å; L526-L595 HydrophobicContact CD1-CD1 3.91Å; L526-L595 HydrophobicContact CD1-CD2 4.36Å; L526-L595 HydrophobicContact CD1-CG 4.06Å; L526-L595 HydrophobicContact CD2-CD1 4.18Å; L526-L595 HydrophobicContact CD2-CD2 4.19Å; S591-L595 WeakPolarHBondContact O-CB 3.42Å; S591-L595 WeakPolarHBondContact O-CG 3.25Å; S591-L595 PolarHBondContact O-N 2.92Å; F592-L595 PolarHBondContact O-N 3.44Å; L595-N597 VanDerWaalsContact C-N 3.3Å; L595-N597 PolarHBondContact O-N 3.15Å; L595-L598 PolarHBondContact O-N 2.86Å; L595-Q599 WeakPolarHBondContact O-CB 3.28Å; L595-Q599 PolarHBondContact O-N 3.01Å
596	V	63.1	Low	60.8	Low	18 Å²	18	84.5 Å²	84.5	11%	0.109	41%	0.414	C	S	.	.	H	α-helix	trans	-59.3	-42.8	176.1	172.5	0	0	0	0	111	L298 F592 E593 Q599 K600	L298-V596 HydrophobicContact CD1-CB 4.28Å; L298-V596 HydrophobicContact CD1-CG2 3.93Å; L298-V596 HydrophobicContact CD2-CG2 3.88Å; L298-V596 HydrophobicContact CG-CG2 4.43Å; F592-V596 HydrophobicContact CD1-CG2 4.1Å; F592-V596 HydrophobicContact CE1-CG2 3.77Å; F592-V596 HydrophobicContact CZ-CG2 4.12Å; F592-V596 VanDerWaalsContact O-CG2 3.28Å; F592-V596 WeakPolarHBondContact O-CG2 3.27Å; F592-V596 PolarHBondContact O-N 3.16Å; E593-V596 PolarHBondContact O-N 2.96Å; V596-Q599 PolarHBondContact O-N 3.03Å; V596-K600 HydrophobicContact CG1-CD 4.09Å; V596-K600 WeakPolarHBondContact O-CB 3.42Å; V596-K600 WeakPolarHBondContact O-CG 3.39Å; V596-K600 PolarHBondContact O-N 3.45Å
597	N	66.5	Low	60.5	Low	97 Å²	97	79.4 Å²	79.4	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-70.6	-38.3	177.7	-69.2	-28.3	0	0	0	112.8	E593 Q594 L595 Q599 K600 T601	E593-N597 WeakPolarHBondContact O-CB 3.36Å; E593-N597 PolarHBondContact O-N 3.39Å; E593-N597 PolarHBondContact O-ND2 2.88Å; E593-N597 VanDerWaalsContact O-ND2 3.11Å; Q594-N597 PolarHBondContact O-N 2.7Å; L595-N597 VanDerWaalsContact C-N 3.3Å; L595-N597 PolarHBondContact O-N 3.15Å; N597-Q599 VanDerWaalsContact C-N 3.32Å; N597-Q599 PolarHBondContact O-N 3.14Å; N597-K600 PolarHBondContact O-N 3.37Å; N597-T601 WeakPolarHBondContact O-CG2 3.43Å; N597-T601 PolarHBondContact O-N 3.03Å; N597-T601 PolarHBondContact O-OG1 2.91Å
598	L	63.7	Low	60.4	Low	103 Å²	103	79.3 Å²	79.3	54%	0.539	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-41.1	171.8	-93.1	163.5	0	0	0	111.6	Q594 L595 T601 L602	Q594-L598 WeakPolarHBondContact O-CB 3.46Å; Q594-L598 PolarHBondContact O-N 2.98Å; L595-L598 PolarHBondContact O-N 2.86Å; L598-T601 WeakPolarHBondContact CA-OG1 3.34Å; L598-T601 PolarHBondContact O-OG1 3.06Å; L598-L602 WeakPolarHBondContact O-CB 3.5Å; L598-L602 VanDerWaalsContact O-CG 3.3Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.05Å
599	Q	55.7	Low	60.1	Low	51 Å²	51	85 Å²	85	24%	0.238	43%	0.426	C	S	.	.	H	α-helix	trans	-72.5	-42.8	178	-172.6	161.7	-26.6	0	0	112.4	M295 L298 L595 V596 N597 T601 L602 L603	M295-Q599 VanDerWaalsContact O-CD 3.29Å; M295-Q599 PolarHBondContact O-NE2 2.82Å; M295-Q599 PolarHBondContact O-OE1 2.66Å; L298-Q599 HydrophobicContact CD1-CB 3.76Å; L298-Q599 VanDerWaalsContact CD1-CD 3.44Å; L298-Q599 HydrophobicContact CD1-CG 4Å; L298-Q599 VanDerWaalsContact CD1-OE1 3.22Å; L595-Q599 WeakPolarHBondContact O-CB 3.28Å; L595-Q599 PolarHBondContact O-N 3.01Å; V596-Q599 PolarHBondContact O-N 3.03Å; N597-Q599 VanDerWaalsContact C-N 3.32Å; N597-Q599 PolarHBondContact O-N 3.14Å; Q599-T601 VanDerWaalsContact C-N 3.29Å; Q599-T601 PolarHBondContact O-N 2.83Å; Q599-L602 PolarHBondContact O-N 2.72Å; Q599-L602 VanDerWaalsContact O-N 3.16Å; Q599-L603 WeakPolarHBondContact O-CB 3.14Å; Q599-L603 PolarHBondContact O-N 2.98Å
600	K	62.5	Low	59.5	Low	89 Å²	89	83 Å²	83	39%	0.387	44%	0.438	S	S	.	.	H	α-helix	trans	-56.6	-44.3	173.3	-77.8	175.2	178.2	171.5	0	110.8	E302 V596 N597 L603 E604	E302-K600 IonicContact OE1-NZ 3.8Å; E302-K600 PolarHBondContact OE1-NZ 3.27Å; E302-K600 IonicContact OE2-NZ 2.85Å; V596-K600 HydrophobicContact CG1-CD 4.09Å; V596-K600 WeakPolarHBondContact O-CB 3.42Å; V596-K600 WeakPolarHBondContact O-CG 3.39Å; V596-K600 PolarHBondContact O-N 3.45Å; N597-K600 PolarHBondContact O-N 3.37Å; K600-L603 PolarHBondContact O-N 3.08Å; K600-E604 WeakPolarHBondContact O-CB 3.4Å; K600-E604 VanDerWaalsContact O-CG 3.29Å; K600-E604 WeakPolarHBondContact O-CG 3.02Å; K600-E604 PolarHBondContact O-N 3.08Å
601	T	65.9	Low	58.6	Low	58 Å²	58	87 Å²	87	36%	0.356	45%	0.45	S	S	.	.	H	α-helix	trans	-70.6	-30.1	175.4	54.4	0	0	0	0	114.8	N597 L598 Q599 K605	N597-T601 WeakPolarHBondContact O-CG2 3.43Å; N597-T601 PolarHBondContact O-N 3.03Å; N597-T601 PolarHBondContact O-OG1 2.91Å; L598-T601 WeakPolarHBondContact CA-OG1 3.34Å; L598-T601 PolarHBondContact O-OG1 3.06Å; Q599-T601 VanDerWaalsContact C-N 3.29Å; Q599-T601 PolarHBondContact O-N 2.83Å; T601-K605 WeakPolarHBondContact O-CB 3.41Å; T601-K605 WeakPolarHBondContact O-CG 3Å; T601-K605 PolarHBondContact O-N 3.1Å
602	L	63.1	Low	57.6	Low	110 Å²	110	90.1 Å²	90.1	58%	0.576	47%	0.472	S	S	*	.	H	α-helix	trans	-70.3	-38.2	171.1	-77.4	170.6	0	0	0	112.3	L598 Q599 K605 A606	L598-L602 WeakPolarHBondContact O-CB 3.5Å; L598-L602 VanDerWaalsContact O-CG 3.3Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.05Å; Q599-L602 PolarHBondContact O-N 2.72Å; Q599-L602 VanDerWaalsContact O-N 3.16Å; L602-K605 PolarHBondContact O-N 2.91Å; L602-A606 WeakPolarHBondContact O-CB 3.5Å; L602-A606 PolarHBondContact O-N 2.78Å
603	L	55.2	Low	56.8	Low	117 Å²	117	96.8 Å²	96.8	61%	0.613	51%	0.508	S	S	*	.	H	α-helix	trans	-71.8	-38.7	178.9	-148.2	161.2	0	0	0	110.6	Q599 K600 S607	Q599-L603 WeakPolarHBondContact O-CB 3.14Å; Q599-L603 PolarHBondContact O-N 2.98Å; K600-L603 PolarHBondContact O-N 3.08Å; L603-S607 VanDerWaalsContact O-CB 3.29Å; L603-S607 WeakPolarHBondContact O-CB 3.43Å; L603-S607 PolarHBondContact O-N 3.16Å
604	E	59.8	Low	55.6	Low	114 Å²	114	102.2 Å²	102.2	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-44.5	167.4	-76	173.9	171	0	0	112.2	K600 S607 Q608	K600-E604 WeakPolarHBondContact O-CB 3.4Å; K600-E604 VanDerWaalsContact O-CG 3.29Å; K600-E604 WeakPolarHBondContact O-CG 3.02Å; K600-E604 PolarHBondContact O-N 3.08Å; E604-S607 CarbonylContact O-C 3.59Å; E604-S607 PolarHBondContact O-N 3.34Å; E604-Q608 WeakPolarHBondContact O-CB 3.31Å; E604-Q608 VanDerWaalsContact O-CG 3.31Å; E604-Q608 WeakPolarHBondContact O-CG 3.23Å; E604-Q608 PolarHBondContact O-N 3.35Å
605	K	63.5	Low	54.1	Low	115 Å²	115	103.9 Å²	103.9	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-46.3	175.8	-79.4	170.7	-178.1	178.7	0	112.4	T601 L602 S607 Q608 E609	T601-K605 WeakPolarHBondContact O-CB 3.41Å; T601-K605 WeakPolarHBondContact O-CG 3Å; T601-K605 PolarHBondContact O-N 3.1Å; L602-K605 PolarHBondContact O-N 2.91Å; K605-S607 VanDerWaalsContact C-N 3.27Å; K605-S607 PolarHBondContact O-N 3.42Å; K605-Q608 CarbonylContact O-C 3.59Å; K605-Q608 PolarHBondContact O-N 3.08Å; K605-Q608 VanDerWaalsContact O-N 3.09Å; K605-E609 WeakPolarHBondContact O-CB 3.16Å; K605-E609 WeakPolarHBondContact O-CG 3.34Å; K605-E609 PolarHBondContact O-N 3.47Å
606	A	54.4	Low	52.7	Low	61 Å²	61	112.9 Å²	112.9	50%	0.504	57%	0.574	S	S	.	*	H	α-helix	trans	-60.6	-38.1	175.5	0	0	0	0	0	112	L602 G610	L602-A606 WeakPolarHBondContact O-CB 3.5Å; L602-A606 PolarHBondContact O-N 2.78Å; A606-G610 PolarHBondContact O-N 3.47Å
607	S	50.5	Low	50.9	Low	65 Å²	65	115.5 Å²	115.5	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-70.2	-28.3	175.3	-164.9	0	0	0	0	113.2	L603 E604 K605 R611	L603-S607 VanDerWaalsContact O-CB 3.29Å; L603-S607 WeakPolarHBondContact O-CB 3.43Å; L603-S607 PolarHBondContact O-N 3.16Å; E604-S607 CarbonylContact O-C 3.59Å; E604-S607 PolarHBondContact O-N 3.34Å; K605-S607 VanDerWaalsContact C-N 3.27Å; K605-S607 PolarHBondContact O-N 3.42Å; S607-R611 WeakPolarHBondContact O-CG 2.99Å
608	Q	54.2	Low	49.1	Very low	120 Å²	120	116.3 Å²	116.3	56%	0.561	62%	0.618	S	S	*	*	H	α-helix	trans	-78.1	-46.3	171.8	-73.4	175.6	10.5	0	0	112.1	E604 K605 G610 R611 S612	E604-Q608 WeakPolarHBondContact O-CB 3.31Å; E604-Q608 VanDerWaalsContact O-CG 3.31Å; E604-Q608 WeakPolarHBondContact O-CG 3.23Å; E604-Q608 PolarHBondContact O-N 3.35Å; K605-Q608 CarbonylContact O-C 3.59Å; K605-Q608 PolarHBondContact O-N 3.08Å; K605-Q608 VanDerWaalsContact O-N 3.09Å; Q608-G610 VanDerWaalsContact C-N 3.31Å; Q608-G610 PolarHBondContact O-N 2.89Å; Q608-R611 CarbonylContact O-C 3.48Å; Q608-R611 WeakPolarHBondContact O-CA 3.18Å; Q608-R611 WeakPolarHBondContact O-CB 3.33Å; Q608-R611 PolarHBondContact O-N 3.01Å; Q608-S612 PolarHBondContact O-N 3.3Å; Q608-S612 PolarHBondContact O-OG 3.47Å
609	E	49.7	Very low	47.3	Very low	133 Å²	133	118.2 Å²	118.2	62%	0.621	63%	0.634	S	S	*	*	H	α-helix	trans	-61.2	-39.2	178.4	-74.1	178	172	0	0	111.7	K605 R611 S612	K605-E609 WeakPolarHBondContact O-CB 3.16Å; K605-E609 WeakPolarHBondContact O-CG 3.34Å; K605-E609 PolarHBondContact O-N 3.47Å; E609-R611 PolarHBondContact O-N 3.48Å; E609-R611 VanDerWaalsContact O-N 3.14Å; E609-S612 PolarHBondContact O-N 2.86Å; E609-S612 VanDerWaalsContact O-N 3.12Å
610	G	44.8	Very low	45.9	Very low	65 Å²	65	123.5 Å²	123.5	67%	0.67	66%	0.662	S	S	*	*	H	α-helix	trans	-61.5	-16.2	170.8	0	0	0	0	0	114.9	A606 Q608	A606-G610 PolarHBondContact O-N 3.47Å; Q608-G610 VanDerWaalsContact C-N 3.31Å; Q608-G610 PolarHBondContact O-N 2.89Å
611	R	44	Very low	44.4	Very low	205 Å²	205	126.8 Å²	126.8	77%	0.774	68%	0.683	S	S	*	*	H	α-helix	trans	-100.9	-20.1	174.3	-67	175.7	179.3	-172.2	0.4	113.3	S607 Q608 E609	S607-R611 WeakPolarHBondContact O-CG 2.99Å; Q608-R611 CarbonylContact O-C 3.48Å; Q608-R611 WeakPolarHBondContact O-CA 3.18Å; Q608-R611 WeakPolarHBondContact O-CB 3.33Å; Q608-R611 PolarHBondContact O-N 3.01Å; E609-R611 PolarHBondContact O-N 3.48Å; E609-R611 VanDerWaalsContact O-N 3.14Å
612	S	41.2	Very low	42.8	Very low	93 Å²	93	130.1 Å²	130.1	65%	0.65	71%	0.705	S	S	*	*	H	α-helix	trans	-84.5	-13.6	-175.3	-67.1	0	0	0	0	115.2	Q608 E609 R614	Q608-S612 PolarHBondContact O-N 3.3Å; Q608-S612 PolarHBondContact O-OG 3.47Å; E609-S612 PolarHBondContact O-N 2.86Å; E609-S612 VanDerWaalsContact O-N 3.12Å; S612-R614 PolarHBondContact O-N 3.1Å
613	L	42.3	Very low	41.1	Very low	164 Å²	164	128.3 Å²	128.3	86%	0.859	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	11.3	-179.1	-75.6	167.4	0	0	0	115.4
614	R	39.8	Very low	39.7	Very low	228 Å²	228	130.7 Å²	130.7	86%	0.86	73%	0.725	S	S	*	*	S	Bend	trans	-123.4	65.9	169.1	-79.6	-172.7	173.6	-179.3	-0.4	112.1	S612	S612-R614 PolarHBondContact O-N 3.1Å
615	N	34.3	Very low	38.2	Very low	150 Å²	150	131 Å²	131	80%	0.802	74%	0.735	S	S	*	*	S	Bend	trans	173.8	108.8	140.5	-93.1	-30.1	0	0	0	113.3
616	K	31.7	Very low	36.5	Very low	215 Å²	215	134.3 Å²	134.3	94%	0.935	75%	0.752	S	S	*	*			trans	142.7	121.8	136.9	-80.5	171.1	-179.8	-179.9	0	111
617	G	27	Very low	35.3	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	77%	0.767	S	S	*	*			trans	-108	160.6	168	0	0	0	0	0	111.7
618	S	27.4	Very low	34.2	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	78%	0.783	S	S	*	*			trans	65.2	127.1	165.4	-165.4	0	0	0	0	118.7
619	V	27.5	Very low	33	Very low	144 Å²	144	138.7 Å²	138.7	87%	0.873	80%	0.799	S	S	*	*				-164.7	152.3	120.6	158.9	0	0	0	0	109
620	L	26	Very low	32.3	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	81%	0.812	S	S	*	*			trans	-95.4	167.6	-171.4	-75.7	152.7	0	0	0	114.9
621	I	30.7	Very low	31.7	Very low	159 Å²	159	150.9 Å²	150.9	82%	0.815	83%	0.825	S	S	*	*			trans	-87.6	139.8	178.2	-50.3	159.5	0	0	0	110.6
622	P	32.4	Very low	31.6	Very low	128 Å²	128	151.3 Å²	151.3	83%	0.831	83%	0.832	S	S	*	*				-152.6	169.6	105.2	36.5	-17.1	0	0	0	114.6
623	G	27	Very low	31.5	Very low	71 Å²	71	157.2 Å²	157.2	73%	0.732	84%	0.84	S	S	*	*			cis	178.3	-179.9	0.5	0	0	0	0	0	112.9
624	L	26.6	Very low	31.9	Very low	167 Å²	167	155.9 Å²	155.9	87%	0.874	84%	0.839	S	S	*	*			trans	-50	164.5	-174.5	-70.4	146.1	0	0	0	117.4
625	V	28.1	Very low	32.4	Very low	121 Å²	121	149.3 Å²	149.3	73%	0.733	82%	0.82	S	S	*	*				-166.6	132.8	76.9	157.2	0	0	0	0	115.3
626	E	27.4	Very low	33.4	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	80%	0.795	S	S	*	*			trans	40.8	137.9	145.1	-57.6	-176.3	142	0	0	126.8
627	G	28	Very low	34.7	Very low	80 Å²	80	138 Å²	138	83%	0.825	78%	0.778	S	S	*	*			trans	-172.6	104.9	158	0	0	0	0	0	111.4
628	S	28.3	Very low	36.1	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	78%	0.775	S	S	*	*			trans	-90.5	152.4	-161.5	76.1	0	0	0	0	117
629	T	28.6	Very low	37.5	Very low	147 Å²	147	140 Å²	140	90%	0.902	76%	0.755	S	S	*	*				-169.6	150.3	129.8	18.1	0	0	0	0	112.3
630	K	35.9	Very low	39.1	Very low	207 Å²	207	136.9 Å²	136.9	90%	0.9	73%	0.733	S	S	*	*			trans	-91.2	126.8	-165.6	-63.9	172.2	178.9	173.3	0	114
631	R	31.7	Very low	40.8	Very low	247 Å²	247	135.2 Å²	135.2	93%	0.932	72%	0.721	S	S	*	*			trans	-139.3	158.8	151.5	-73	-168.9	172.2	172.4	-1.9	110.1	R633	R631-R633 PolarHBondContact O-N 3.41Å
632	K	42.7	Very low	42.6	Very low	213 Å²	213	132.1 Å²	132.1	93%	0.926	71%	0.706	S	S	*	*			trans	-45.8	127.1	-167.2	-68.9	173.7	175.1	176.8	0	113.2	V634	K632-V634 PolarHBondContact O-N 2.93Å
633	R	38.6	Very low	44.1	Very low	218 Å²	218	134.1 Å²	134.1	82%	0.823	70%	0.697	S	S	*	*			trans	-80.8	115.9	-174.8	-137.7	-175.7	-163.5	-162.7	5	111.5	R631 E639	R631-R633 PolarHBondContact O-N 3.41Å; R633-E639 IonicContact NH1-OE1 3.2Å
634	V	50.1	Low	45.8	Very low	136 Å²	136	136.2 Å²	136.2	82%	0.824	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-71.1	139.4	155.8	178.5	0	0	0	0	107.1	K632	K632-V634 PolarHBondContact O-N 2.93Å
635	L	50.1	Low	48.1	Very low	89 Å²	89	134 Å²	134	47%	0.466	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-66.3	141.6	-179	-71.8	162.3	0	0	0	110.8	E639 L640	L635-E639 WeakPolarHBondContact CD2-OE2 3.25Å; L635-L640 HydrophobicContact CB-CG 4.36Å; L635-L640 HydrophobicContact CD1-CD2 4.43Å
636	S	55.6	Low	50.4	Low	41 Å²	41	134.8 Å²	134.8	29%	0.287	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-66.3	146.6	175.4	-177.7	0	0	0	0	110.6	E638 E639 L640	S636-E638 PolarHBondContact O-N 3.4Å; S636-E638 PolarHBondContact OG-N 2.87Å; S636-E639 PolarHBondContact N-OE2 2.73Å; S636-E639 PolarHBondContact O-N 3.41Å; S636-L640 PolarHBondContact O-N 2.8Å; S636-L640 VanDerWaalsContact O-N 3.16Å
637	P	58.9	Low	52.4	Low	88 Å²	88	135.5 Å²	135.5	57%	0.571	66%	0.66	S	S	*	*	H	α-helix	trans	-51.9	-39.4	169.8	19.9	-32.2	0	0	0	112.4	E639 L640 E641	P637-E639 PolarHBondContact O-N 3.49Å; P637-L640 WeakPolarHBondContact O-CB 3.33Å; P637-L640 PolarHBondContact O-N 3.38Å; P637-L640 VanDerWaalsContact O-N 3.13Å; P637-E641 WeakPolarHBondContact O-CG 3.46Å; P637-E641 PolarHBondContact O-N 3.13Å
638	E	57.1	Low	54.4	Low	147 Å²	147	138 Å²	138	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-61.1	-39.9	176.5	-62.3	175.6	142	0	0	112.6	S636 L640 E641 D642	S636-E638 PolarHBondContact O-N 3.4Å; S636-E638 PolarHBondContact OG-N 2.87Å; E638-L640 VanDerWaalsContact C-N 3.3Å; E638-L640 PolarHBondContact O-N 2.98Å; E638-E641 PolarHBondContact O-N 3.1Å; E638-D642 WeakPolarHBondContact O-CB 3.44Å; E638-D642 PolarHBondContact O-N 2.96Å
639	E	56.3	Low	56.7	Low	80 Å²	80	138 Å²	138	37%	0.374	64%	0.637	S	S	.	*	H	α-helix	trans	-71.4	-25.4	178	-69.3	176.6	147.2	0	0	112.3	R633 L635 S636 P637 R643	R633-E639 IonicContact NH1-OE1 3.2Å; L635-E639 WeakPolarHBondContact CD2-OE2 3.25Å; S636-E639 PolarHBondContact N-OE2 2.73Å; S636-E639 PolarHBondContact O-N 3.41Å; P637-E639 PolarHBondContact O-N 3.49Å; E639-R643 WeakPolarHBondContact O-CB 3.29Å; E639-R643 PolarHBondContact O-N 3.41Å
640	L	60.5	Low	58.9	Low	79 Å²	79	133.4 Å²	133.4	41%	0.414	62%	0.615	S	S	.	*	H	α-helix	trans	-77.2	-43.8	172.4	-75.6	168	0	0	0	111.2	L635 S636 P637 E638 R643 Q644	L635-L640 HydrophobicContact CB-CG 4.36Å; L635-L640 HydrophobicContact CD1-CD2 4.43Å; S636-L640 PolarHBondContact O-N 2.8Å; S636-L640 VanDerWaalsContact O-N 3.16Å; P637-L640 WeakPolarHBondContact O-CB 3.33Å; P637-L640 PolarHBondContact O-N 3.38Å; P637-L640 VanDerWaalsContact O-N 3.13Å; E638-L640 VanDerWaalsContact C-N 3.3Å; E638-L640 PolarHBondContact O-N 2.98Å; L640-R643 PolarHBondContact O-N 2.74Å; L640-Q644 WeakPolarHBondContact O-CG 3.28Å; L640-Q644 PolarHBondContact O-N 3.19Å
641	E	61.7	Low	60.8	Low	125 Å²	125	125.7 Å²	125.7	58%	0.584	59%	0.589	S	S	*	*	H	α-helix	trans	-61.8	-45.8	176.2	-74.6	176.4	-166.2	0	0	111.6	P637 E638 R643 Q644 K645	P637-E641 WeakPolarHBondContact O-CG 3.46Å; P637-E641 PolarHBondContact O-N 3.13Å; E638-E641 PolarHBondContact O-N 3.1Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 3.42Å; E641-Q644 PolarHBondContact O-N 3.04Å; E641-Q644 VanDerWaalsContact O-N 3.1Å; E641-K645 VanDerWaalsContact O-CB 3.31Å; E641-K645 WeakPolarHBondContact O-CB 3.31Å; E641-K645 PolarHBondContact O-N 2.85Å
642	D	69.6	Low	63.2	Low	94 Å²	94	116.2 Å²	116.2	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-61.4	-34.5	175.5	-112	10.7	0	0	0	112.7	E638 K646	E638-D642 WeakPolarHBondContact O-CB 3.44Å; E638-D642 PolarHBondContact O-N 2.96Å; D642-K646 WeakPolarHBondContact O-CB 3.26Å; D642-K646 WeakPolarHBondContact O-CG 3.32Å; D642-K646 PolarHBondContact O-N 3Å
643	R	62.5	Low	65	Low	171 Å²	171	113.5 Å²	113.5	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-72.3	-37.1	173.6	-101.4	-179.7	160.9	-179.9	-3.3	112.7	E639 L640 E641 R647	E639-R643 WeakPolarHBondContact O-CB 3.29Å; E639-R643 PolarHBondContact O-N 3.41Å; L640-R643 PolarHBondContact O-N 2.74Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 3.42Å; R643-R647 WeakPolarHBondContact O-CB 3.3Å; R643-R647 WeakPolarHBondContact O-CG 3.3Å; R643-R647 PolarHBondContact O-N 3.31Å
644	Q	63.8	Low	66.7	Low	114 Å²	114	112 Å²	112	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-67.8	-45.3	174.6	-73.6	180	15.5	0	0	110.6	L640 E641 R647 Q648	L640-Q644 WeakPolarHBondContact O-CG 3.28Å; L640-Q644 PolarHBondContact O-N 3.19Å; E641-Q644 PolarHBondContact O-N 3.04Å; E641-Q644 VanDerWaalsContact O-N 3.1Å; Q644-R647 CarbonylContact O-C 3.56Å; Q644-R647 WeakPolarHBondContact O-CA 3.4Å; Q644-R647 WeakPolarHBondContact O-CB 3.48Å; Q644-R647 PolarHBondContact O-N 3.44Å; Q644-R647 VanDerWaalsContact O-N 3.11Å; Q644-Q648 WeakPolarHBondContact O-CG 3.43Å; Q644-Q648 PolarHBondContact O-N 3.48Å
645	K	74.5	Confident	67.9	Low	122 Å²	122	114.5 Å²	114.5	53%	0.53	54%	0.541	S	S	.	.	H	α-helix	trans	-60.2	-49.3	176.7	-165.7	172.5	-177.4	177.5	0	111.7	E641 R647 Q648 E649	E641-K645 VanDerWaalsContact O-CB 3.31Å; E641-K645 WeakPolarHBondContact O-CB 3.31Å; E641-K645 PolarHBondContact O-N 2.85Å; K645-R647 VanDerWaalsContact C-N 3.3Å; K645-R647 PolarHBondContact O-N 3.2Å; K645-Q648 PolarHBondContact O-N 2.99Å; K645-Q648 VanDerWaalsContact O-N 3.13Å; K645-E649 WeakPolarHBondContact O-CB 3.33Å; K645-E649 WeakPolarHBondContact O-CG 3.47Å; K645-E649 PolarHBondContact O-N 3.17Å
646	K	77.3	Confident	69.4	Low	136 Å²	136	119.1 Å²	119.1	59%	0.591	55%	0.552	S	S	*	*	H	α-helix	trans	-60.8	-33.6	172.4	-79.4	171.9	177.4	157.9	0	113.5	D642 A650	D642-K646 WeakPolarHBondContact O-CB 3.26Å; D642-K646 WeakPolarHBondContact O-CG 3.32Å; D642-K646 PolarHBondContact O-N 3Å; K646-A650 VanDerWaalsContact O-CB 3.22Å; K646-A650 WeakPolarHBondContact O-CB 3.29Å; K646-A650 PolarHBondContact O-N 2.91Å
647	R	68	Low	70.6	Confident	201 Å²	201	121.2 Å²	121.2	76%	0.758	56%	0.56	S	S	*	*	H	α-helix	trans	-69.2	-41.8	172.7	-88.2	-179.2	160.1	-167.3	-5.4	112.2	R643 Q644 K645 A650 A651	R643-R647 WeakPolarHBondContact O-CB 3.3Å; R643-R647 WeakPolarHBondContact O-CG 3.3Å; R643-R647 PolarHBondContact O-N 3.31Å; Q644-R647 CarbonylContact O-C 3.56Å; Q644-R647 WeakPolarHBondContact O-CA 3.4Å; Q644-R647 WeakPolarHBondContact O-CB 3.48Å; Q644-R647 PolarHBondContact O-N 3.44Å; Q644-R647 VanDerWaalsContact O-N 3.11Å; K645-R647 VanDerWaalsContact C-N 3.3Å; K645-R647 PolarHBondContact O-N 3.2Å; R647-A650 PolarHBondContact O-N 3.28Å; R647-A651 VanDerWaalsContact O-CB 3.31Å; R647-A651 WeakPolarHBondContact O-CB 3.46Å; R647-A651 PolarHBondContact O-N 3.34Å
648	Q	69.9	Low	71.4	Confident	132 Å²	132	122.7 Å²	122.7	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-66.1	-45.1	176.9	-73.1	174.7	-2	0	0	111.3	Q644 K645 A650 A651 A652	Q644-Q648 WeakPolarHBondContact O-CG 3.43Å; Q644-Q648 PolarHBondContact O-N 3.48Å; K645-Q648 PolarHBondContact O-N 2.99Å; K645-Q648 VanDerWaalsContact O-N 3.13Å; Q648-A650 PolarHBondContact O-N 3.15Å; Q648-A651 PolarHBondContact O-N 3.32Å; Q648-A652 WeakPolarHBondContact O-CB 3.48Å; Q648-A652 PolarHBondContact O-N 2.8Å
649	E	76.8	Confident	72.3	Confident	111 Å²	111	122 Å²	122	52%	0.519	56%	0.558	S	S	.	*	H	α-helix	trans	-60.4	-44.5	174.1	-72.5	171.3	-174.6	0	0	111.8	K645 A651 A652 K653	K645-E649 WeakPolarHBondContact O-CB 3.33Å; K645-E649 WeakPolarHBondContact O-CG 3.47Å; K645-E649 PolarHBondContact O-N 3.17Å; E649-A651 VanDerWaalsContact C-N 3.35Å; E649-A651 PolarHBondContact O-N 3.13Å; E649-A652 PolarHBondContact O-N 2.83Å; E649-K653 WeakPolarHBondContact O-CB 3.36Å; E649-K653 PolarHBondContact O-N 3.16Å
650	A	75.6	Confident	73.3	Confident	51 Å²	51	122.7 Å²	122.7	42%	0.421	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-36.3	175.3	0	0	0	0	0	112.7	K646 R647 Q648 R654	K646-A650 VanDerWaalsContact O-CB 3.22Å; K646-A650 WeakPolarHBondContact O-CB 3.29Å; K646-A650 PolarHBondContact O-N 2.91Å; R647-A650 PolarHBondContact O-N 3.28Å; Q648-A650 PolarHBondContact O-N 3.15Å; A650-R654 WeakPolarHBondContact O-CB 3.42Å; A650-R654 WeakPolarHBondContact O-CG 3.47Å; A650-R654 PolarHBondContact O-N 3.29Å; A650-R654 VanDerWaalsContact O-N 3.07Å
651	A	76.2	Confident	74.1	Confident	45 Å²	45	125.6 Å²	125.6	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-69	-44	174.7	0	0	0	0	0	111.8	R647 Q648 E649 R654 R655	R647-A651 VanDerWaalsContact O-CB 3.31Å; R647-A651 WeakPolarHBondContact O-CB 3.46Å; R647-A651 PolarHBondContact O-N 3.34Å; Q648-A651 PolarHBondContact O-N 3.32Å; E649-A651 VanDerWaalsContact C-N 3.35Å; E649-A651 PolarHBondContact O-N 3.13Å; A651-R654 PolarHBondContact O-N 3.44Å; A651-R655 WeakPolarHBondContact O-CG 3.44Å; A651-R655 PolarHBondContact O-N 2.95Å
652	A	80.4	Confident	74.8	Confident	48 Å²	48	125.5 Å²	125.5	40%	0.397	57%	0.569	S	S	.	*	H	α-helix	trans	-61.7	-43.9	175.7	0	0	0	0	0	111.6	Q648 E649 R654 R655 R656	Q648-A652 WeakPolarHBondContact O-CB 3.48Å; Q648-A652 PolarHBondContact O-N 2.8Å; E649-A652 PolarHBondContact O-N 2.83Å; A652-R654 VanDerWaalsContact C-N 3.32Å; A652-R654 PolarHBondContact O-N 3.35Å; A652-R655 PolarHBondContact O-N 3.39Å; A652-R656 PolarHBondContact O-N 2.99Å
653	K	81.5	Confident	75	Confident	155 Å²	155	128.3 Å²	128.3	67%	0.674	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-36.2	175.4	-168.4	170.5	-175.4	173.5	0	112.4	E649 L657	E649-K653 WeakPolarHBondContact O-CB 3.36Å; E649-K653 PolarHBondContact O-N 3.16Å; K653-L657 PolarHBondContact O-N 3.4Å
654	R	74.3	Confident	75.7	Confident	187 Å²	187	125.1 Å²	125.1	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-68.2	-40.8	172.6	-77.1	178	179	-146.6	-0.1	112.5	A650 A651 A652 L657 I658	A650-R654 WeakPolarHBondContact O-CB 3.42Å; A650-R654 WeakPolarHBondContact O-CG 3.47Å; A650-R654 PolarHBondContact O-N 3.29Å; A650-R654 VanDerWaalsContact O-N 3.07Å; A651-R654 PolarHBondContact O-N 3.44Å; A652-R654 VanDerWaalsContact C-N 3.32Å; A652-R654 PolarHBondContact O-N 3.35Å; R654-L657 PolarHBondContact O-N 3.25Å; R654-I658 WeakPolarHBondContact O-CD1 3.39Å; R654-I658 VanDerWaalsContact O-CG1 3.29Å; R654-I658 WeakPolarHBondContact O-CG1 3.49Å; R654-I658 PolarHBondContact O-N 3.02Å
655	R	75.9	Confident	76.1	Confident	189 Å²	189	125.8 Å²	125.8	71%	0.713	57%	0.566	S	S	*	*	H	α-helix	trans	-59.4	-52.3	175.8	-75.1	179.2	179.2	-177.4	-1.3	111.2	A651 A652 L657 I658 E659	A651-R655 WeakPolarHBondContact O-CG 3.44Å; A651-R655 PolarHBondContact O-N 2.95Å; A652-R655 PolarHBondContact O-N 3.39Å; R655-L657 VanDerWaalsContact C-N 3.3Å; R655-L657 PolarHBondContact O-N 3.47Å; R655-I658 WeakPolarHBondContact O-CB 3.33Å; R655-I658 PolarHBondContact O-N 2.76Å; R655-E659 WeakPolarHBondContact O-CB 3.31Å; R655-E659 PolarHBondContact O-N 3.42Å
656	R	81.4	Confident	76.1	Confident	186 Å²	186	124 Å²	124	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-55.6	-41.7	176.4	-69.9	-177.2	-179.8	179.4	0.1	112.9	A652 I658 E659 E660	A652-R656 PolarHBondContact O-N 2.99Å; R656-I658 VanDerWaalsContact C-N 3.34Å; R656-I658 PolarHBondContact O-N 3.21Å; R656-E659 PolarHBondContact O-N 3.42Å; R656-E660 VanDerWaalsContact O-CB 3.27Å; R656-E660 WeakPolarHBondContact O-CB 3.32Å; R656-E660 PolarHBondContact O-N 3.3Å
657	L	80.3	Confident	76	Confident	85 Å²	85	122.1 Å²	122.1	45%	0.445	55%	0.553	S	S	.	*	H	α-helix	trans	-68.9	-26.7	177.1	-105.3	163	0	0	0	114.4	K653 R654 R655 K661	K653-L657 PolarHBondContact O-N 3.4Å; R654-L657 PolarHBondContact O-N 3.25Å; R655-L657 VanDerWaalsContact C-N 3.3Å; R655-L657 PolarHBondContact O-N 3.47Å; L657-K661 WeakPolarHBondContact O-CB 3.48Å; L657-K661 VanDerWaalsContact O-CG 3.28Å; L657-K661 WeakPolarHBondContact O-CG 3.27Å; L657-K661 PolarHBondContact O-N 2.95Å
658	I	74.8	Confident	76.4	Confident	119 Å²	119	114.8 Å²	114.8	61%	0.61	54%	0.535	S	S	*	.	H	α-helix	trans	-77.9	-43.3	174.5	-71.2	163.8	0	0	0	109.7	R654 R655 R656 K661 K662	R654-I658 WeakPolarHBondContact O-CD1 3.39Å; R654-I658 VanDerWaalsContact O-CG1 3.29Å; R654-I658 WeakPolarHBondContact O-CG1 3.49Å; R654-I658 PolarHBondContact O-N 3.02Å; R655-I658 WeakPolarHBondContact O-CB 3.33Å; R655-I658 PolarHBondContact O-N 2.76Å; R656-I658 VanDerWaalsContact C-N 3.34Å; R656-I658 PolarHBondContact O-N 3.21Å; I658-K661 PolarHBondContact O-N 3.43Å; I658-K662 WeakPolarHBondContact O-CB 3.5Å; I658-K662 PolarHBondContact O-N 3.47Å
659	E	76.8	Confident	76.6	Confident	131 Å²	131	113.4 Å²	113.4	61%	0.612	53%	0.528	S	S	*	.	H	α-helix	trans	-63.4	-47.6	178	-173.5	167.5	-139.5	0	0	112	R655 R656 K661 K662 R663	R655-E659 WeakPolarHBondContact O-CB 3.31Å; R655-E659 PolarHBondContact O-N 3.42Å; R656-E659 PolarHBondContact O-N 3.42Å; E659-K661 VanDerWaalsContact C-N 3.35Å; E659-K661 PolarHBondContact O-N 3.3Å; E659-K662 WeakPolarHBondContact O-CB 3.34Å; E659-K662 PolarHBondContact O-N 3.47Å; E659-K662 VanDerWaalsContact O-N 3.1Å; E659-R663 PolarHBondContact O-N 3.39Å
660	E	78.1	Confident	76.4	Confident	96 Å²	96	113.6 Å²	113.6	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-40.6	174.9	-174	178	-164.6	0	0	112.1	R656 K662 R663 Q664	R656-E660 VanDerWaalsContact O-CB 3.27Å; R656-E660 WeakPolarHBondContact O-CB 3.32Å; R656-E660 PolarHBondContact O-N 3.3Å; E660-K662 VanDerWaalsContact C-N 3.35Å; E660-R663 PolarHBondContact O-N 2.92Å; E660-Q664 WeakPolarHBondContact O-CB 3.39Å; E660-Q664 VanDerWaalsContact O-CG 3.32Å; E660-Q664 WeakPolarHBondContact O-CG 3.49Å; E660-Q664 PolarHBondContact O-N 2.94Å
661	K	77	Confident	76.6	Confident	139 Å²	139	119 Å²	119	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-67.5	-32.8	173.5	-80.3	-178.5	175.4	-173.6	0	113.2	L657 I658 E659 K665	L657-K661 WeakPolarHBondContact O-CB 3.48Å; L657-K661 VanDerWaalsContact O-CG 3.28Å; L657-K661 WeakPolarHBondContact O-CG 3.27Å; L657-K661 PolarHBondContact O-N 2.95Å; I658-K661 PolarHBondContact O-N 3.43Å; E659-K661 VanDerWaalsContact C-N 3.35Å; E659-K661 PolarHBondContact O-N 3.3Å; K661-K665 WeakPolarHBondContact O-CB 3.43Å; K661-K665 PolarHBondContact O-N 2.91Å; K661-K665 VanDerWaalsContact O-N 3.16Å
662	K	75.3	Confident	76.8	Confident	124 Å²	124	124 Å²	124	54%	0.539	56%	0.556	S	S	.	*	H	α-helix	trans	-66.9	-49.3	175	-170.2	-178.7	175.7	-83.2	0	109.4	I658 E659 E660 Q664 K665 E666	I658-K662 WeakPolarHBondContact O-CB 3.5Å; I658-K662 PolarHBondContact O-N 3.47Å; E659-K662 WeakPolarHBondContact O-CB 3.34Å; E659-K662 PolarHBondContact O-N 3.47Å; E659-K662 VanDerWaalsContact O-N 3.1Å; E660-K662 VanDerWaalsContact C-N 3.35Å; K662-Q664 PolarHBondContact O-N 2.64Å; K662-K665 WeakPolarHBondContact O-CB 3.38Å; K662-K665 PolarHBondContact O-N 2.7Å; K662-E666 VanDerWaalsContact CE-OE1 3.28Å; K662-E666 WeakPolarHBondContact CE-OE1 3.44Å; K662-E666 WeakPolarHBondContact CG-OE1 3.35Å; K662-E666 IonicContact NZ-OE1 2.75Å; K662-E666 PolarHBondContact NZ-OE1 2.73Å; K662-E666 IonicContact NZ-OE2 2.92Å; K662-E666 WeakPolarHBondContact O-CG 3.45Å; K662-E666 PolarHBondContact O-N 3.27Å
663	R	74.9	Confident	76.6	Confident	153 Å²	153	125 Å²	125	58%	0.577	55%	0.551	S	S	*	*	H	α-helix	trans	-59.7	-46.5	177	-153.6	-173.3	74.5	-154.9	-0.8	112.6	E659 E660 K665 E666 E667	E659-R663 PolarHBondContact O-N 3.39Å; E660-R663 PolarHBondContact O-N 2.92Å; R663-K665 VanDerWaalsContact C-N 3.25Å; R663-K665 PolarHBondContact O-N 2.87Å; R663-E666 PolarHBondContact O-N 3.04Å; R663-E666 VanDerWaalsContact O-N 3.16Å; R663-E667 WeakPolarHBondContact CG-OE1 3.42Å; R663-E667 IonicContact CZ-OE1 2.72Å; R663-E667 IonicContact NE-OE1 2.66Å; R663-E667 PolarHBondContact NE-OE1 2.89Å; R663-E667 IonicContact NH2-OE1 3.83Å; R663-E667 WeakPolarHBondContact O-CB 3.47Å; R663-E667 VanDerWaalsContact O-CG 3.27Å; R663-E667 WeakPolarHBondContact O-CG 3.39Å; R663-E667 PolarHBondContact O-N 2.86Å
664	Q	76.1	Confident	76.1	Confident	104 Å²	104	121 Å²	121	49%	0.486	54%	0.536	S	S	.	.	H	α-helix	trans	-59.7	-33.9	174.7	-74.6	175.3	9.9	0	0	113.1	E660 K662 A668	E660-Q664 WeakPolarHBondContact O-CB 3.39Å; E660-Q664 VanDerWaalsContact O-CG 3.32Å; E660-Q664 WeakPolarHBondContact O-CG 3.49Å; E660-Q664 PolarHBondContact O-N 2.94Å; K662-Q664 PolarHBondContact O-N 2.64Å; Q664-A668 VanDerWaalsContact O-CB 3.31Å; Q664-A668 WeakPolarHBondContact O-CB 3.27Å; Q664-A668 PolarHBondContact O-N 2.86Å; Q664-A668 VanDerWaalsContact O-N 3.13Å
665	K	73.8	Confident	76.3	Confident	128 Å²	128	114.2 Å²	114.2	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-71.9	-43	175.8	-171.8	-172.9	170.9	-158.2	0	111.2	K661 K662 R663 A668 E669	K661-K665 WeakPolarHBondContact O-CB 3.43Å; K661-K665 PolarHBondContact O-N 2.91Å; K661-K665 VanDerWaalsContact O-N 3.16Å; K662-K665 WeakPolarHBondContact O-CB 3.38Å; K662-K665 PolarHBondContact O-N 2.7Å; R663-K665 VanDerWaalsContact C-N 3.25Å; R663-K665 PolarHBondContact O-N 2.87Å; K665-A668 PolarHBondContact O-N 3.01Å; K665-E669 WeakPolarHBondContact CE-OE1 3.38Å; K665-E669 IonicContact NZ-OE1 2.62Å; K665-E669 WeakPolarHBondContact O-CG 3.34Å; K665-E669 PolarHBondContact O-N 3.09Å
666	E	74.2	Confident	76.3	Confident	84 Å²	84	110.1 Å²	110.1	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-45	176.9	-71.9	160.6	166.5	0	0	111.2	K662 R663 A668 E669 H670	K662-E666 VanDerWaalsContact CE-OE1 3.28Å; K662-E666 WeakPolarHBondContact CE-OE1 3.44Å; K662-E666 WeakPolarHBondContact CG-OE1 3.35Å; K662-E666 IonicContact NZ-OE1 2.75Å; K662-E666 PolarHBondContact NZ-OE1 2.73Å; K662-E666 IonicContact NZ-OE2 2.92Å; K662-E666 WeakPolarHBondContact O-CG 3.45Å; K662-E666 PolarHBondContact O-N 3.27Å; R663-E666 PolarHBondContact O-N 3.04Å; R663-E666 VanDerWaalsContact O-N 3.16Å; E666-A668 VanDerWaalsContact C-N 3.32Å; E666-A668 PolarHBondContact O-N 2.74Å; E666-E669 PolarHBondContact O-N 3.21Å; E666-H670 VanDerWaalsContact O-CB 3.29Å; E666-H670 WeakPolarHBondContact O-CB 3.38Å; E666-H670 PolarHBondContact O-N 3.14Å
667	E	73.9	Confident	76.2	Confident	97 Å²	97	102.3 Å²	102.3	45%	0.453	48%	0.476	S	S	.	.	H	α-helix	trans	-56.4	-42.9	171.6	-72.4	167.6	-152.2	0	0	111.8	R663 K671	R663-E667 WeakPolarHBondContact CG-OE1 3.42Å; R663-E667 IonicContact CZ-OE1 2.72Å; R663-E667 IonicContact NE-OE1 2.66Å; R663-E667 PolarHBondContact NE-OE1 2.89Å; R663-E667 IonicContact NH2-OE1 3.83Å; R663-E667 WeakPolarHBondContact O-CB 3.47Å; R663-E667 VanDerWaalsContact O-CG 3.27Å; R663-E667 WeakPolarHBondContact O-CG 3.39Å; R663-E667 PolarHBondContact O-N 2.86Å; E667-K671 WeakPolarHBondContact O-CB 3.32Å; E667-K671 PolarHBondContact O-N 2.92Å
668	A	76.8	Confident	76	Confident	46 Å²	46	104.7 Å²	104.7	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-72	-33.3	178.9	0	0	0	0	0	113.5	Q664 K665 E666 K672	Q664-A668 VanDerWaalsContact O-CB 3.31Å; Q664-A668 WeakPolarHBondContact O-CB 3.27Å; Q664-A668 PolarHBondContact O-N 2.86Å; Q664-A668 VanDerWaalsContact O-N 3.13Å; K665-A668 PolarHBondContact O-N 3.01Å; E666-A668 VanDerWaalsContact C-N 3.32Å; E666-A668 PolarHBondContact O-N 2.74Å; A668-K672 WeakPolarHBondContact O-CD 3.37Å; A668-K672 VanDerWaalsContact O-CG 3.32Å; A668-K672 WeakPolarHBondContact O-CG 3.31Å; A668-K672 PolarHBondContact O-N 3.28Å
669	E	73.8	Confident	76	Confident	103 Å²	103	103.6 Å²	103.6	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-73.1	-40.4	173.3	-74.3	177.6	-179.1	0	0	111.1	K665 E666 K672 K673	K665-E669 WeakPolarHBondContact CE-OE1 3.38Å; K665-E669 IonicContact NZ-OE1 2.62Å; K665-E669 WeakPolarHBondContact O-CG 3.34Å; K665-E669 PolarHBondContact O-N 3.09Å; E666-E669 PolarHBondContact O-N 3.21Å; E669-K672 WeakPolarHBondContact O-CB 3.49Å; E669-K672 PolarHBondContact O-N 2.97Å; E669-K673 PolarHBondContact O-N 3.06Å
670	H	74.3	Confident	75.8	Confident	115 Å²	115	101.4 Å²	101.4	53%	0.532	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-47.9	172.8	-174.9	-102	0	0	0	111.7	E666 K672 K673 M674	E666-H670 VanDerWaalsContact O-CB 3.29Å; E666-H670 WeakPolarHBondContact O-CB 3.38Å; E666-H670 PolarHBondContact O-N 3.14Å; H670-K672 VanDerWaalsContact C-N 3.28Å; H670-K672 PolarHBondContact O-N 3.2Å; H670-K673 WeakPolarHBondContact O-CA 3.22Å; H670-K673 WeakPolarHBondContact O-CB 3.4Å; H670-K673 PolarHBondContact O-N 3Å; H670-M674 WeakPolarHBondContact O-CG 3.35Å; H670-M674 PolarHBondContact O-N 3.32Å
671	K	78.3	Confident	75.5	Confident	164 Å²	164	104.5 Å²	104.5	71%	0.713	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-35	177.4	-169.7	170.4	-174.9	171.8	0	112.9	E667 A675	E667-K671 WeakPolarHBondContact O-CB 3.32Å; E667-K671 PolarHBondContact O-N 2.92Å; K671-A675 WeakPolarHBondContact O-CB 3.43Å; K671-A675 PolarHBondContact O-N 2.93Å; K671-A675 VanDerWaalsContact O-N 3.12Å
672	K	80.9	Confident	75.2	Confident	151 Å²	151	99.2 Å²	99.2	66%	0.657	48%	0.476	S	S	*	.	H	α-helix	trans	-68.6	-39.1	172.1	-73.2	167.4	-178.5	173.5	0	112.2	A668 E669 H670 W676	A668-K672 WeakPolarHBondContact O-CD 3.37Å; A668-K672 VanDerWaalsContact O-CG 3.32Å; A668-K672 WeakPolarHBondContact O-CG 3.31Å; A668-K672 PolarHBondContact O-N 3.28Å; E669-K672 WeakPolarHBondContact O-CB 3.49Å; E669-K672 PolarHBondContact O-N 2.97Å; H670-K672 VanDerWaalsContact C-N 3.28Å; H670-K672 PolarHBondContact O-N 3.2Å; K672-W676 WeakPolarHBondContact O-CB 3.37Å; K672-W676 PolarHBondContact O-N 3.3Å; K672-W676 VanDerWaalsContact O-N 3.08Å
673	K	75.8	Confident	74.8	Confident	68 Å²	68	100.8 Å²	100.8	30%	0.296	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-47.2	176.1	-158.4	-169	-168.6	-163.5	0	111	E669 H670 W676 W677 K773 D774	E669-K673 PolarHBondContact O-N 3.06Å; H670-K673 WeakPolarHBondContact O-CA 3.22Å; H670-K673 WeakPolarHBondContact O-CB 3.4Å; H670-K673 PolarHBondContact O-N 3Å; K673-W676 WeakPolarHBondContact O-CB 3.38Å; K673-W676 PolarHBondContact O-N 3.4Å; K673-W677 HydrophobicContact CD-CH2 4.03Å; K673-W677 HydrophobicContact CD-CZ2 3.69Å; K673-W677 HydrophobicContact CG-CD2 4.4Å; K673-W677 HydrophobicContact CG-CZ2 4.15Å; K673-W677 PolarHBondContact O-N 2.91Å; K673-K773 VanDerWaalsContact CE-O 3.26Å; K673-K773 WeakPolarHBondContact CE-O 3.44Å; K673-K773 PolarHBondContact NZ-O 2.94Å; K673-D774 IonicContact NZ-OD1 2.7Å
674	M	71.4	Confident	74.7	Confident	71 Å²	71	95.4 Å²	95.4	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-48.9	177.4	-67.8	-59.8	-66.4	0	0	112.2	H670 W676 W677 E678	H670-M674 WeakPolarHBondContact O-CG 3.35Å; H670-M674 PolarHBondContact O-N 3.32Å; M674-W676 PolarHBondContact O-N 3.26Å; M674-W677 WeakPolarHBondContact O-CB 3.48Å; M674-W677 PolarHBondContact O-N 3.47Å; M674-W677 VanDerWaalsContact O-N 3.07Å; M674-W677 HydrophobicContact SD-CE3 3.58Å; M674-W677 VanDerWaalsContact SD-CE3 3.58Å; M674-W677 HydrophobicContact SD-CZ3 3.79Å; M674-E678 WeakPolarHBondContact O-CG 3.17Å; M674-E678 PolarHBondContact O-N 2.94Å
675	A	78.3	Confident	74.3	Confident	46 Å²	46	94.6 Å²	94.6	38%	0.38	47%	0.466	S	S	.	.	H	α-helix	trans	-61.8	-32.1	177	0	0	0	0	0	112.9	K671 S679	K671-A675 WeakPolarHBondContact O-CB 3.43Å; K671-A675 PolarHBondContact O-N 2.93Å; K671-A675 VanDerWaalsContact O-N 3.12Å; A675-S679 WeakPolarHBondContact O-CB 3.32Å; A675-S679 PolarHBondContact O-N 2.98Å; A675-S679 VanDerWaalsContact O-N 3.07Å; A675-S679 PolarHBondContact O-OG 3.01Å
676	W	76.9	Confident	74.3	Confident	102 Å²	102	90 Å²	90	39%	0.386	45%	0.45	S	S	.	.	H	α-helix	trans	-71.5	-37.3	173.5	177.5	58.1	0	0	0	112.4	K672 K673 M674 S679 N680 M772	K672-W676 WeakPolarHBondContact O-CB 3.37Å; K672-W676 PolarHBondContact O-N 3.3Å; K672-W676 VanDerWaalsContact O-N 3.08Å; K673-W676 WeakPolarHBondContact O-CB 3.38Å; K673-W676 PolarHBondContact O-N 3.4Å; M674-W676 PolarHBondContact O-N 3.26Å; W676-S679 PolarHBondContact O-N 3.09Å; W676-N680 PolarHBondContact NE1-ND2 3.22Å; W676-N680 PolarHBondContact O-N 3.06Å; W676-N680 PolarHBondContact O-ND2 3.37Å; W676-M772 HydrophobicContact CD2-CE 4.02Å; W676-M772 HydrophobicContact CE3-CE 4.05Å; W676-M772 HydrophobicContact CH2-CE 3.9Å; W676-M772 HydrophobicContact CH2-SD 4.31Å; W676-M772 HydrophobicContact CZ2-CE 3.82Å; W676-M772 HydrophobicContact CZ2-SD 4.25Å; W676-M772 HydrophobicContact CZ3-CE 4.01Å; W676-M772 WeakPolarHBondContact CZ3-O 3.47Å
677	W	78.8	Confident	74.2	Confident	23 Å²	23	88 Å²	88	9%	0.087	44%	0.441	C	S	.	.	H	α-helix	trans	-67	-44.7	173.7	-70.2	-11.2	0	0	0	112.7	K673 M674 S679 N680 N681 Y682 M772 D774	K673-W677 HydrophobicContact CD-CH2 4.03Å; K673-W677 HydrophobicContact CD-CZ2 3.69Å; K673-W677 HydrophobicContact CG-CD2 4.4Å; K673-W677 HydrophobicContact CG-CZ2 4.15Å; K673-W677 PolarHBondContact O-N 2.91Å; M674-W677 WeakPolarHBondContact O-CB 3.48Å; M674-W677 PolarHBondContact O-N 3.47Å; M674-W677 VanDerWaalsContact O-N 3.07Å; M674-W677 HydrophobicContact SD-CE3 3.58Å; M674-W677 VanDerWaalsContact SD-CE3 3.58Å; M674-W677 HydrophobicContact SD-CZ3 3.79Å; W677-S679 VanDerWaalsContact C-N 3.31Å; W677-S679 PolarHBondContact O-N 3.32Å; W677-N680 CarbonylContact O-C 3.58Å; W677-N680 PolarHBondContact O-N 3.45Å; W677-N681 PolarHBondContact O-N 3.03Å; W677-N681 VanDerWaalsContact O-N 3.13Å; W677-Y682 HydrophobicContact CB-CD1 4.29Å; W677-Y682 AromaticContact CD1-CD1 3.95Å; W677-Y682 AromaticContact CD2-CD1 3.99Å; W677-Y682 HydrophobicContact CD2-CD1 3.99Å; W677-Y682 HydrophobicContact CD2-CE1 4.35Å; W677-Y682 AromaticContact CG-CD1 3.85Å; W677-Y682 HydrophobicContact CG-CD1 3.85Å; W677-Y682 HydrophobicContact CZ2-CE1 4.28Å; W677-Y682 PolarHBondContact O-N 3.19Å; W677-M772 PolarHBondContact NE1-O 3.12Å; W677-M772 VanDerWaalsContact NE1-O 3.08Å; W677-D774 WeakPolarHBondContact CH2-OD1 3.34Å; W677-D774 HydrophobicContact CZ2-CB 3.89Å; W677-D774 VanDerWaalsContact CZ2-CG 3.42Å; W677-D774 WeakPolarHBondContact CZ2-OD1 3.34Å
678	E	75.2	Confident	73.7	Confident	134 Å²	134	88.5 Å²	88.5	63%	0.626	45%	0.453	S	S	*	.	H	α-helix	trans	-56.5	-45	172.5	-72.1	170.8	179.7	0	0	111.2	M674 N680 N681	M674-E678 WeakPolarHBondContact O-CG 3.17Å; M674-E678 PolarHBondContact O-N 2.94Å; E678-N680 PolarHBondContact O-N 3.42Å; E678-N680 VanDerWaalsContact O-N 3.11Å; E678-N681 PolarHBondContact O-N 3.33Å; E678-N681 VanDerWaalsContact O-N 3.12Å
679	S	76.1	Confident	72.6	Confident	97 Å²	97	89.3 Å²	89.3	68%	0.678	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.5	177.1	-59.2	0	0	0	0	114.4	A675 W676 W677	A675-S679 WeakPolarHBondContact O-CB 3.32Å; A675-S679 PolarHBondContact O-N 2.98Å; A675-S679 VanDerWaalsContact O-N 3.07Å; A675-S679 PolarHBondContact O-OG 3.01Å; W676-S679 PolarHBondContact O-N 3.09Å; W677-S679 VanDerWaalsContact C-N 3.31Å; W677-S679 PolarHBondContact O-N 3.32Å
680	N	73.1	Confident	71.5	Confident	84 Å²	84	92 Å²	92	45%	0.449	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	9	178.5	-72.8	-87.8	0	0	0	112.8	W676 W677 E678 Y682 M772	W676-N680 PolarHBondContact NE1-ND2 3.22Å; W676-N680 PolarHBondContact O-N 3.06Å; W676-N680 PolarHBondContact O-ND2 3.37Å; W677-N680 CarbonylContact O-C 3.58Å; W677-N680 PolarHBondContact O-N 3.45Å; E678-N680 PolarHBondContact O-N 3.42Å; E678-N680 VanDerWaalsContact O-N 3.11Å; N680-Y682 PolarHBondContact O-N 3.28Å; N680-M772 HydrophobicContact CB-CE 3.67Å; N680-M772 HydrophobicContact CB-SD 4.23Å
681	N	70.4	Confident	69.9	Low	161 Å²	161	95.9 Å²	95.9	86%	0.861	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	37.7	-173.8	-64.3	-38.8	0	0	0	113.4	W677 E678	W677-N681 PolarHBondContact O-N 3.03Å; W677-N681 VanDerWaalsContact O-N 3.13Å; E678-N681 PolarHBondContact O-N 3.33Å; E678-N681 VanDerWaalsContact O-N 3.12Å
682	Y	71.1	Confident	67.8	Low	29 Å²	29	93 Å²	93	11%	0.114	49%	0.487	C	S	.	.			trans	-99.7	129	179.7	179.1	-101.7	0	0	0	111.3	W677 N680 L768 M772 D774	W677-Y682 HydrophobicContact CB-CD1 4.29Å; W677-Y682 AromaticContact CD1-CD1 3.95Å; W677-Y682 AromaticContact CD2-CD1 3.99Å; W677-Y682 HydrophobicContact CD2-CD1 3.99Å; W677-Y682 HydrophobicContact CD2-CE1 4.35Å; W677-Y682 AromaticContact CG-CD1 3.85Å; W677-Y682 HydrophobicContact CG-CD1 3.85Å; W677-Y682 HydrophobicContact CZ2-CE1 4.28Å; W677-Y682 PolarHBondContact O-N 3.19Å; N680-Y682 PolarHBondContact O-N 3.28Å; Y682-L768 HydrophobicContact CE2-CB 4.34Å; Y682-M772 HydrophobicContact CD1-CB 4Å; Y682-M772 HydrophobicContact CD1-CG 4.1Å; Y682-M772 HydrophobicContact CD2-CB 4.34Å; Y682-M772 HydrophobicContact CD2-CG 3.77Å; Y682-M772 HydrophobicContact CE1-CB 4.02Å; Y682-M772 HydrophobicContact CE1-CG 4.47Å; Y682-M772 HydrophobicContact CE2-CB 4.35Å; Y682-M772 HydrophobicContact CE2-CG 4.17Å; Y682-M772 HydrophobicContact CG-CB 4.16Å; Y682-M772 HydrophobicContact CG-CG 3.74Å; Y682-D774 HydrophobicContact CE1-CB 4.18Å; Y682-D774 WeakPolarHBondContact CE1-OD2 3.48Å; Y682-D774 PolarHBondContact OH-OD2 3.46Å
683	Q	67.9	Low	65.5	Low	157 Å²	157	94.1 Å²	94.1	73%	0.734	50%	0.495	S	S	*	.			trans	-111.2	129.1	170.2	-172.4	173.1	4.8	0	0	108.6	F685	Q683-F685 WeakPolarHBondContact O-CD2 3.28Å
684	S	71.4	Confident	63.4	Low	39 Å²	39	95.9 Å²	95.9	27%	0.273	51%	0.513	S	S	.	.			trans	-71.3	139.1	179.7	-175.1	0	0	0	0	111.5	C686 D774	S684-C686 WeakPolarHBondContact OG-CB 3.38Å; S684-C686 PolarHBondContact OG-N 3.11Å; S684-C686 VanDerWaalsContact OG-N 3.17Å; S684-D774 VanDerWaalsContact CB-OD2 3.25Å; S684-D774 WeakPolarHBondContact CB-OD2 3.48Å; S684-D774 PolarHBondContact OG-OD2 2.65Å
685	F	67.3	Low	61.6	Low	87 Å²	87	100.9 Å²	100.9	38%	0.382	54%	0.536	S	S	.	.			trans	-102	8.3	171.3	-68.6	-90.3	0	0	0	112.4	Q683 I765 L781 L782 F783	Q683-F685 WeakPolarHBondContact O-CD2 3.28Å; F685-I765 HydrophobicContact CB-CG2 4.5Å; F685-I765 HydrophobicContact CD2-CG2 3.91Å; F685-I765 HydrophobicContact CE2-CG2 4.44Å; F685-I765 HydrophobicContact CG-CG2 4.27Å; F685-L781 HydrophobicContact CB-CD2 3.99Å; F685-L781 WeakPolarHBondContact O-CA 3.4Å; F685-L782 PolarHBondContact O-N 3.31Å; F685-F783 HydrophobicContact CD1-CB 4.18Å
686	C	74.1	Confident	59.5	Low	33 Å²	33	104.8 Å²	104.8	22%	0.223	55%	0.55	C	S	.	*	B	Isolated β-bridge	trans	-73.8	135.3	175.5	-70.8	0	0	0	0	110.4	S684 V780 L781	S684-C686 WeakPolarHBondContact OG-CB 3.38Å; S684-C686 PolarHBondContact OG-N 3.11Å; S684-C686 VanDerWaalsContact OG-N 3.17Å; C686-V780 CarbonylContact C-O 3.59Å; C686-V780 WeakPolarHBondContact CA-O 3.48Å; C686-L781 VanDerWaalsContact SG-CD2 3.52Å
687	L	73.6	Confident	57.5	Low	40 Å²	40	108.1 Å²	108.1	21%	0.209	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-62.9	134.7	170.8	-67.2	176.7	0	0	0	110.1	V780 L782 K826 A830	L687-V780 HydrophobicContact CD1-CB 4.15Å; L687-V780 HydrophobicContact CD1-CG1 4.03Å; L687-V780 PolarHBondContact N-O 2.67Å; L687-L782 HydrophobicContact CD2-CB 4.17Å; L687-L782 HydrophobicContact CD2-CD2 3.98Å; L687-L782 HydrophobicContact CG-CB 4.24Å; L687-K826 HydrophobicContact CD1-CB 4.11Å; L687-A830 HydrophobicContact CD1-CB 4Å
688	P	61.5	Low	55.5	Low	109 Å²	109	115.6 Å²	115.6	71%	0.708	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-62	152.9	178.6	26.9	-34.5	0	0	0	110.9
689	S	55.6	Low	53.6	Low	63 Å²	63	116.7 Å²	116.7	44%	0.441	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-101	136.2	175.3	-54.3	0	0	0	0	109	E691 K826	S689-E691 PolarHBondContact O-N 3.07Å; S689-K826 PolarHBondContact OG-NZ 2.85Å; S689-K826 VanDerWaalsContact OG-NZ 3.1Å
690	E	49.8	Very low	51.4	Low	158 Å²	158	115.2 Å²	115.2	74%	0.738	62%	0.621	S	S	*	*	S	Bend	trans	-76.4	58.3	-169.4	-65.7	177.6	137.7	0	0	113.6	L829	E690-L829 VanDerWaalsContact CD-CD1 3.49Å; E690-L829 HydrophobicContact CG-CD1 4.49Å; E690-L829 VanDerWaalsContact OE1-CD1 3.23Å; E690-L829 WeakPolarHBondContact OE1-CD1 3.44Å; E690-L829 WeakPolarHBondContact OE2-CD1 3.32Å
691	E	39.7	Very low	49.4	Very low	198 Å²	198	119.8 Å²	119.8	93%	0.925	64%	0.639	S	S	*	*	S	Bend	trans	-104.1	9.6	163	-70.7	-168.3	161.9	0	0	112	S689	S689-E691 PolarHBondContact O-N 3.07Å
692	S	34.4	Very low	47.6	Very low	102 Å²	102	122.1 Å²	122.1	71%	0.713	65%	0.645	S	S	*	*	S	Bend	trans	-144.5	26.2	-171.4	75.8	0	0	0	0	116.9
693	E	32.4	Very low	45.5	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	67%	0.669	S	S	*	*	S	Bend	trans	-127.2	139.3	154.9	-71.8	-165.4	-178.5	0	0	108.5
694	P	32	Very low	44.1	Very low	104 Å²	104	122.9 Å²	122.9	68%	0.675	67%	0.672	S	S	*	*			trans	-71.3	149.8	-175.9	29.2	-34.7	0	0	0	112.4	D696	P694-D696 PolarHBondContact O-N 2.87Å
695	E	35.1	Very low	42.1	Very low	177 Å²	177	125.2 Å²	125.2	83%	0.827	69%	0.694	S	S	*	*	S	Bend	trans	-69.5	40	-178.4	-59.6	174.6	146	0	0	114.1	L697	E695-L697 PolarHBondContact O-N 2.87Å
696	D	32.5	Very low	40.3	Very low	127 Å²	127	130 Å²	130	68%	0.679	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	17.7	-172.6	-77.1	-44.6	0	0	0	114.2	P694	P694-D696 PolarHBondContact O-N 2.87Å
697	L	34.9	Very low	38.4	Very low	173 Å²	173	136.7 Å²	136.7	91%	0.906	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	6	175.1	-71.3	177.5	0	0	0	115.2	E695 N699	E695-L697 PolarHBondContact O-N 2.87Å; L697-N699 VanDerWaalsContact C-N 3.34Å
698	E	38.4	Very low	36.1	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	78%	0.776	S	S	*	*			trans	-92.9	17.7	170.1	-68.6	-156.8	149.5	0	0	113.8
699	N	34.5	Very low	35.1	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	79%	0.785	S	S	*	*			trans	-106.6	62.4	167.7	-77.3	-63.1	0	0	0	111.1	L697	L697-N699 VanDerWaalsContact C-N 3.34Å
700	G	29.6	Very low	34	Very low	65 Å²	65	152.4 Å²	152.4	67%	0.67	80%	0.802	S	S	*	*	S	Bend	trans	-131.4	76.5	174.4	0	0	0	0	0	110.7
701	E	30.8	Very low	33.2	Very low	181 Å²	181	150.6 Å²	150.6	85%	0.846	80%	0.797	S	S	*	*			trans	28.2	107.6	167.3	-63	-179.4	163	0	0	116.9	S703	E701-S703 PolarHBondContact O-N 2.77Å
702	E	33	Very low	33.3	Very low	209 Å²	209	146 Å²	146	98%	0.977	79%	0.785	S	S	*	*			trans	-65.2	71.1	152.3	-74.5	-166.7	141	0	0	109.6	S704	E702-S704 PolarHBondContact O-N 2.91Å
703	S	27.1	Very low	33.7	Very low	88 Å²	88	146.4 Å²	146.4	62%	0.615	78%	0.779	S	S	*	*			trans	-65.4	120.6	165.5	177.7	0	0	0	0	108	E701 A705	E701-S703 PolarHBondContact O-N 2.77Å; S703-A705 PolarHBondContact O-N 3.3Å
704	S	38.8	Very low	34.2	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	77%	0.767	S	S	*	*			trans	-62.4	84.4	166	54.1	0	0	0	0	109.5	E702 E706	E702-S704 PolarHBondContact O-N 2.91Å; S704-E706 PolarHBondContact O-N 3.45Å
705	A	28.4	Very low	34.9	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	76%	0.761	S	S	*	*			trans	-71.2	120.2	174.6	0	0	0	0	0	109.5	S703	S703-A705 PolarHBondContact O-N 3.3Å
706	E	29.5	Very low	36	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	74%	0.737	S	S	*	*			trans	-61.3	148.5	176.3	-64.3	173.7	127.1	0	0	110.8	S704 D708	S704-E706 PolarHBondContact O-N 3.45Å; E706-D708 VanDerWaalsContact C-N 3.27Å; E706-D708 PolarHBondContact O-N 2.89Å
707	L	34.6	Very low	37.9	Very low	175 Å²	175	129.2 Å²	129.2	92%	0.916	71%	0.709	S	S	*	*			trans	-70.4	80.2	176.3	-79.2	162	0	0	0	110.6
708	D	26.2	Very low	39.8	Very low	139 Å²	139	124.7 Å²	124.7	74%	0.743	68%	0.682	S	S	*	*			trans	-86	131	169	-150.4	7.9	0	0	0	110.4	E706 Q710	E706-D708 VanDerWaalsContact C-N 3.27Å; E706-D708 PolarHBondContact O-N 2.89Å; D708-Q710 PolarHBondContact O-N 3.36Å; D708-Q710 VanDerWaalsContact O-N 3.1Å
709	Y	38.9	Very low	41.7	Very low	229 Å²	229	121.1 Å²	121.1	90%	0.898	66%	0.662	S	S	*	*			trans	-74.5	102.1	-171.3	-94.6	-107.2	0	0	0	110.9
710	Q	32.3	Very low	43.5	Very low	173 Å²	173	114.6 Å²	114.6	81%	0.808	63%	0.628	S	S	*	*			trans	-126.4	158.2	165	-65.5	-166.8	6.2	0	0	112	D708	D708-Q710 PolarHBondContact O-N 3.36Å; D708-Q710 VanDerWaalsContact O-N 3.1Å
711	D	34.7	Very low	45.3	Very low	120 Å²	120	114.6 Å²	114.6	64%	0.642	62%	0.618	S	S	*	*			trans	-49.8	123.5	-151.5	-124.5	-31.9	0	0	0	116.5	D713 A714	D711-D713 PolarHBondContact O-N 2.73Å; D711-D713 VanDerWaalsContact O-N 3.11Å; D711-A714 PolarHBondContact O-N 3.15Å
712	P	40.5	Very low	47	Very low	101 Å²	101	107.2 Å²	107.2	66%	0.656	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-9.3	177.5	27.8	-35.3	0	0	0	114.5	A714	P712-A714 VanDerWaalsContact C-N 3.32Å
713	D	42.4	Very low	48.6	Very low	112 Å²	112	100 Å²	100	60%	0.599	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-3.5	177	-85.8	-9.6	0	0	0	114.4	D711 K718	D711-D713 PolarHBondContact O-N 2.73Å; D711-D713 VanDerWaalsContact O-N 3.11Å; D713-K718 WeakPolarHBondContact O-CE 3.47Å; D713-K718 PolarHBondContact O-NZ 3.41Å
714	A	43.8	Very low	50.7	Low	69 Å²	69	96 Å²	96	57%	0.57	53%	0.53	S	S	*	.	S	Bend	trans	-86.8	-28.4	178.5	0	0	0	0	0	114.1	D711 P712	D711-A714 PolarHBondContact O-N 3.15Å; P712-A714 VanDerWaalsContact C-N 3.32Å
715	T	47.5	Very low	52	Low	88 Å²	88	90.7 Å²	90.7	54%	0.54	49%	0.492	S	S	.	.	S	Bend	trans	-104	5.2	-173.8	41	0	0	0	0	114.4
716	S	57.9	Low	53.9	Low	47 Å²	47	91.6 Å²	91.6	33%	0.329	48%	0.481	S	S	.	.	S	Bend	trans	-92.1	143.7	-177.7	61.2	0	0	0	0	113.6	K718	S716-K718 PolarHBondContact O-N 2.86Å
717	L	71.6	Confident	55.7	Low	19 Å²	19	83.1 Å²	83.1	10%	0.099	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-68.7	122.7	169.3	-82.7	169	0	0	0	109.9	E856 I859 R860 A864 T870 I872	L717-E856 HydrophobicContact CD1-CG 3.94Å; L717-I859 HydrophobicContact CD2-CG2 3.96Å; L717-R860 HydrophobicContact CD1-CB 3.95Å; L717-R860 HydrophobicContact CD1-CG 4.16Å; L717-A864 HydrophobicContact CD2-CB 4.07Å; L717-A864 HydrophobicContact CG-CB 3.98Å; L717-T870 HydrophobicContact CD2-CG2 3.59Å; L717-I872 HydrophobicContact CD1-CD1 4.41Å; L717-I872 HydrophobicContact CD2-CD1 4.05Å; L717-I872 HydrophobicContact CD2-CG1 4.43Å
718	K	74.8	Confident	57	Low	77 Å²	77	81.2 Å²	81.2	34%	0.335	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.8	-174.9	-70.2	176.6	-176.5	176.8	0	110.9	D713 S716 T870 Y871 I872	D713-K718 WeakPolarHBondContact O-CE 3.47Å; D713-K718 PolarHBondContact O-NZ 3.41Å; S716-K718 PolarHBondContact O-N 2.86Å; K718-T870 PolarHBondContact N-O 3.09Å; K718-T870 VanDerWaalsContact N-O 3.1Å; K718-Y871 HydrophobicContact CB-CD1 3.58Å; K718-Y871 HydrophobicContact CB-CE1 3.76Å; K718-Y871 HydrophobicContact CD-CD1 4.44Å; K718-Y871 HydrophobicContact CD-CE1 3.73Å; K718-Y871 HydrophobicContact CG-CE1 4.32Å; K718-Y871 CarbonylContact O-C 3.52Å; K718-Y871 VanDerWaalsContact O-CA 3.29Å; K718-Y871 WeakPolarHBondContact O-CA 3.17Å; K718-I872 PolarHBondContact O-N 2.79Å
719	Y	78.1	Confident	58.5	Low	104 Å²	104	74.9 Å²	74.9	41%	0.408	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.2	178	-75.3	-84.9	0	0	0	110.8	E856 I872	Y719-E856 PolarHBondContact OH-OE1 3.44Å; Y719-E856 PolarHBondContact OH-OE2 2.77Å; Y719-I872 WeakPolarHBondContact CA-O 3.4Å; Y719-I872 HydrophobicContact CD1-CB 3.86Å; Y719-I872 HydrophobicContact CD1-CG2 3.95Å; Y719-I872 HydrophobicContact CE1-CB 3.79Å; Y719-I872 HydrophobicContact CE1-CD1 4.05Å; Y719-I872 HydrophobicContact CE1-CG1 4.49Å; Y719-I872 HydrophobicContact CE1-CG2 3.68Å
720	V	73.4	Confident	59.5	Low	22 Å²	22	67.3 Å²	67.3	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.9	-174.1	-176	0	0	0	0	110	Y871 I872 Y873 Y874	V720-Y871 HydrophobicContact CG2-CD1 3.89Å; V720-I872 PolarHBondContact N-O 2.98Å; V720-Y873 HydrophobicContact CB-CD1 4.23Å; V720-Y873 HydrophobicContact CB-CE1 4.13Å; V720-Y873 HydrophobicContact CG1-CD1 4.24Å; V720-Y873 HydrophobicContact CG1-CE1 3.88Å; V720-Y873 VanDerWaalsContact O-CA 3.29Å; V720-Y873 WeakPolarHBondContact O-CA 3.4Å; V720-Y874 WeakPolarHBondContact O-CD1 3.31Å; V720-Y874 WeakPolarHBondContact O-CE1 3.49Å; V720-Y874 PolarHBondContact O-N 3.22Å
721	S	66.7	Low	60.7	Low	65 Å²	65	62.5 Å²	62.5	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.6	170.2	54.9	0	0	0	0	110.2	Y874	S721-Y874 WeakPolarHBondContact CA-O 3.43Å
722	G	66	Low	62.5	Low	25 Å²	25	61.8 Å²	61.8	26%	0.258	37%	0.37	S	S	.	.	S	Bend	trans	150.9	-174	-178.1	0	0	0	0	0	114.6	Y874	G722-Y874 PolarHBondContact N-O 3.02Å
723	D	67.4	Low	64.2	Low	58 Å²	58	59 Å²	59	31%	0.31	35%	0.349	S	S	.	.			trans	-88.9	124.9	178.5	-163.4	-28.2	0	0	0	111.4	T725 H726 F875	D723-T725 PolarHBondContact O-N 2.92Å; D723-T725 WeakPolarHBondContact OD1-CB 3.23Å; D723-T725 PolarHBondContact OD1-N 2.96Å; D723-T725 PolarHBondContact OD1-OG1 3.4Å; D723-T725 PolarHBondContact OD2-OG1 2.92Å; D723-H726 PolarHBondContact O-N 3.13Å; D723-H726 VanDerWaalsContact O-N 3.14Å; D723-F875 HydrophobicContact CB-CE2 4.38Å; D723-F875 HydrophobicContact CB-CZ 3.79Å
724	V	71	Confident	66	Low	5 Å²	5	53.6 Å²	53.6	3%	0.03	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.7	-179.6	-152.3	0	0	0	0	112	H726 I736 L751 H839 P841 Y873	V724-H726 PolarHBondContact O-N 3.38Å; V724-I736 HydrophobicContact CG1-CG2 4.48Å; V724-L751 HydrophobicContact CB-CD1 4.34Å; V724-L751 HydrophobicContact CG2-CD1 4.48Å; V724-H839 HydrophobicContact CG1-CB 4.37Å; V724-P841 HydrophobicContact CG2-CB 3.81Å; V724-Y873 HydrophobicContact CB-CD2 4.44Å; V724-Y873 HydrophobicContact CB-CG 4.28Å; V724-Y873 HydrophobicContact CG1-CD2 3.82Å; V724-Y873 HydrophobicContact CG1-CE2 4.35Å; V724-Y873 HydrophobicContact CG1-CG 4.15Å; V724-Y873 HydrophobicContact CG2-CD2 4.47Å; V724-Y873 HydrophobicContact CG2-CG 4Å
725	T	65.7	Low	67.8	Low	1 Å²	1	50.4 Å²	50.4	1%	0.006	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.4	176.4	61.5	0	0	0	0	113.6	D723 L751 A754 L755 R758	D723-T725 PolarHBondContact O-N 2.92Å; D723-T725 WeakPolarHBondContact OD1-CB 3.23Å; D723-T725 PolarHBondContact OD1-N 2.96Å; D723-T725 PolarHBondContact OD1-OG1 3.4Å; D723-T725 PolarHBondContact OD2-OG1 2.92Å; T725-L751 HydrophobicContact CG2-CD1 3.61Å; T725-L751 HydrophobicContact CG2-CG 4.46Å; T725-A754 HydrophobicContact CG2-CB 3.75Å; T725-L755 HydrophobicContact CG2-CD2 3.9Å; T725-L755 HydrophobicContact CG2-CG 4.08Å; T725-R758 PolarHBondContact O-NH1 3.1Å
726	H	69.1	Low	69.4	Low	109 Å²	109	46.2 Å²	46.2	51%	0.505	27%	0.268	S	S	.	.	S	Bend	trans	-131.3	79.3	175.5	-61.1	88.4	0	0	0	109.8	D723 V724	D723-H726 PolarHBondContact O-N 3.13Å; D723-H726 VanDerWaalsContact O-N 3.14Å; V724-H726 PolarHBondContact O-N 3.38Å
727	P	66.9	Low	70.6	Confident	7 Å²	7	44 Å²	44	5%	0.045	25%	0.253	C	S	.	.			trans	-66.4	136.7	-172.9	26.2	-34.1	0	0	0	112.7	A729 A734 I736 H839	P727-A729 HydrophobicContact CB-CB 4.48Å; P727-A729 PolarHBondContact O-N 3.05Å; P727-A734 HydrophobicContact CB-CB 3.83Å; P727-A734 HydrophobicContact CG-CB 3.53Å; P727-I736 HydrophobicContact CG-CD1 4.34Å; P727-I736 HydrophobicContact CG-CG1 4.38Å; P727-H839 HydrophobicContact CB-CB 4.33Å; P727-H839 WeakPolarHBondContact CB-ND1 3.33Å
728	Q	61.2	Low	71.1	Confident	136 Å²	136	44.5 Å²	44.5	64%	0.636	26%	0.255	S	S	*	.			trans	-82.7	56.2	179.7	-67.4	-173.8	-2	0	0	111.5	H839 Y873	Q728-H839 PolarHBondContact N-NE2 3.29Å; Q728-Y873 PolarHBondContact N-OH 3.39Å; Q728-Y873 VanDerWaalsContact N-OH 3.17Å
729	A	58	Low	71.3	Confident	6 Å²	6	41.2 Å²	41.2	5%	0.05	24%	0.241	C	C	.	.			trans	-109.4	62.6	-168.2	0	0	0	0	0	113.6	P727 A731 E732 A734 R791 S837	P727-A729 HydrophobicContact CB-CB 4.48Å; P727-A729 PolarHBondContact O-N 3.05Å; A729-A731 PolarHBondContact O-N 3.25Å; A729-E732 PolarHBondContact O-N 3.39Å; A729-A734 HydrophobicContact CB-CB 3.88Å; A729-R791 PolarHBondContact O-NH1 3.46Å; A729-R791 PolarHBondContact O-NH2 3.2Å; A729-S837 WeakPolarHBondContact CB-OG 3.39Å
730	G	60.1	Low	71.4	Confident	69 Å²	69	36.4 Å²	36.4	71%	0.711	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	24.2	-107.3	167.5	0	0	0	0	0	117.7	R791	G730-R791 PolarHBondContact O-NH2 3.26Å
731	A	58.4	Low	71.7	Confident	73 Å²	73	35.9 Å²	35.9	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125	27	176.3	0	0	0	0	0	112	A729 K793	A729-A731 PolarHBondContact O-N 3.25Å; A731-K793 CarbonylContact C-O 3.58Å; A731-K793 WeakPolarHBondContact CA-O 3.36Å; A731-K793 HydrophobicContact CB-CB 4.35Å
732	E	71.2	Confident	72.3	Confident	104 Å²	104	34.9 Å²	34.9	49%	0.486	21%	0.208	S	C	.	.	S	Bend	trans	-113	154.1	-179.1	-65	179.6	168.6	0	0	109.7	A729	A729-E732 PolarHBondContact O-N 3.39Å
733	D	77.9	Confident	72.7	Confident	42 Å²	42	35.2 Å²	35.2	23%	0.225	21%	0.207	C	C	.	.			trans	-65.7	144.9	172.5	-75.9	-7.2	0	0	0	110.3	Q795 A836 S837	D733-Q795 WeakPolarHBondContact CA-O 3.37Å; D733-Q795 PolarHBondContact OD1-N 3.33Å; D733-A836 HydrophobicContact CB-CB 3.87Å; D733-A836 CarbonylContact O-C 3.47Å; D733-A836 VanDerWaalsContact O-CA 3.27Å; D733-A836 WeakPolarHBondContact O-CA 3.12Å; D733-A836 WeakPolarHBondContact O-CB 3.49Å; D733-S837 PolarHBondContact O-N 3.2Å; D733-S837 PolarHBondContact O-OG 3.08Å
734	A	79	Confident	72.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	-175.9	0	0	0	0	0	111.3	P727 A729 Q795 L797	P727-A734 HydrophobicContact CB-CB 3.83Å; P727-A734 HydrophobicContact CG-CB 3.53Å; A729-A734 HydrophobicContact CB-CB 3.88Å; A734-Q795 PolarHBondContact N-O 3.02Å; A734-Q795 VanDerWaalsContact N-O 3.07Å; A734-L797 PolarHBondContact O-N 3.05Å
735	L	81.2	Confident	73	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	102.4	174.1	-77	163.2	0	0	0	110	L782 L797 A831 A836 S837 V838 H839	L735-L782 HydrophobicContact CD2-CD1 3.49Å; L735-L782 VanDerWaalsContact CD2-CD1 3.49Å; L735-L797 WeakPolarHBondContact CA-O 3.46Å; L735-L797 HydrophobicContact CD2-CB 3.62Å; L735-L797 HydrophobicContact CD2-CD1 4.08Å; L735-L797 HydrophobicContact CD2-CG 4.49Å; L735-L797 HydrophobicContact CG-CB 4.41Å; L735-A831 HydrophobicContact CD1-CB 3.53Å; L735-A836 HydrophobicContact CD1-CB 3.7Å; L735-A836 HydrophobicContact CG-CB 3.95Å; L735-S837 PolarHBondContact N-O 3.33Å; L735-V838 HydrophobicContact CB-CG2 4.35Å; L735-V838 HydrophobicContact CD1-CG2 4.43Å; L735-H839 PolarHBondContact O-N 2.92Å
736	I	81.9	Confident	73.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.3	171.5	-58.1	171.3	0	0	0	107.6	V724 P727 L797 L798 A799	V724-I736 HydrophobicContact CG1-CG2 4.48Å; P727-I736 HydrophobicContact CG-CD1 4.34Å; P727-I736 HydrophobicContact CG-CG1 4.38Å; I736-L797 PolarHBondContact N-O 3.05Å; I736-L798 HydrophobicContact CB-CD1 4.03Å; I736-L798 HydrophobicContact CG2-CD1 3.82Å; I736-A799 PolarHBondContact O-N 3.45Å
737	V	82.8	Confident	73.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.3	-176	-179.8	0	0	0	0	111	A799 I801 I827 V838 H839 L840 P841	V737-A799 WeakPolarHBondContact CA-O 3.48Å; V737-A799 HydrophobicContact CG2-CB 4.19Å; V737-I801 HydrophobicContact CG1-CD1 3.71Å; V737-I801 HydrophobicContact CG1-CG1 4.1Å; V737-I827 HydrophobicContact CG1-CD1 3.7Å; V737-I827 HydrophobicContact CG2-CD1 4Å; V737-I827 HydrophobicContact CG2-CG2 4.27Å; V737-V838 HydrophobicContact CG2-CG1 3.77Å; V737-H839 PolarHBondContact N-O 3.26Å; V737-L840 HydrophobicContact CB-CD2 3.59Å; V737-L840 HydrophobicContact CB-CG 4.07Å; V737-L840 HydrophobicContact CG1-CD2 3.64Å; V737-L840 HydrophobicContact CG2-CD2 4.45Å; V737-P841 WeakPolarHBondContact O-CD 3.45Å
738	H	81.9	Confident	73.3	Confident	30 Å²	30	47.1 Å²	47.1	14%	0.139	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.7	174.3	-164.6	54.8	0	0	0	112.7	L751 F752 A799 L800 I801	H738-L751 HydrophobicContact CB-CD2 4.1Å; H738-L751 WeakPolarHBondContact ND1-CD2 3.15Å; H738-F752 AromaticContact CD2-CE1 3.92Å; H738-F752 AromaticContact CD2-CZ 3.66Å; H738-F752 AromaticContact NE2-CE2 3.55Å; H738-F752 AromaticContact NE2-CZ 3.32Å; H738-F752 VanDerWaalsContact NE2-CZ 3.32Å; H738-F752 WeakPolarHBondContact NE2-CZ 3.22Å; H738-A799 PolarHBondContact N-O 3.44Å; H738-L800 HydrophobicContact CB-CD2 3.98Å; H738-L800 WeakPolarHBondContact O-CA 3.15Å; H738-I801 PolarHBondContact O-N 2.9Å
739	C	79.5	Confident	73.3	Confident	8 Å²	8	42.5 Å²	42.5	5%	0.054	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.3	175.9	-63.9	0	0	0	0	110.3	I801 A803	C739-I801 CarbonylContact C-O 3.58Å; C739-I801 WeakPolarHBondContact CA-O 3.32Å; C739-A803 HydrophobicContact CB-CB 4.43Å
740	V	79.7	Confident	73.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	169.9	180	-62.9	0	0	0	0	111.1	F752 Y766 L800 I801 V802 A803 Q804	V740-F752 HydrophobicContact CG1-CE1 4.08Å; V740-F752 HydrophobicContact CG1-CZ 4.3Å; V740-Y766 HydrophobicContact CB-CE2 3.99Å; V740-Y766 HydrophobicContact CG2-CD2 4.49Å; V740-Y766 HydrophobicContact CG2-CE2 3.69Å; V740-L800 HydrophobicContact CG1-CB 4.24Å; V740-L800 HydrophobicContact CG1-CD1 4.33Å; V740-L800 HydrophobicContact CG1-CD2 4.09Å; V740-L800 HydrophobicContact CG1-CG 4.46Å; V740-L800 HydrophobicContact CG2-CB 3.97Å; V740-I801 PolarHBondContact N-O 2.81Å; V740-V802 HydrophobicContact CG2-CG2 4.1Å; V740-A803 PolarHBondContact O-N 3.3Å; V740-Q804 PolarHBondContact O-N 3.47Å
741	D	80.4	Confident	74.3	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.059	25%	0.247	C	C	.	.			trans	-90.5	-177.7	174.2	63.5	46.9	0	0	0	112.3	S743 Y766 Q804 R806 L812	D741-S743 VanDerWaalsContact CG-OG 3.31Å; D741-S743 VanDerWaalsContact OD1-CB 3.23Å; D741-S743 WeakPolarHBondContact OD1-CB 3.32Å; D741-S743 PolarHBondContact OD1-N 3.38Å; D741-S743 PolarHBondContact OD1-OG 3.19Å; D741-S743 PolarHBondContact OD2-OG 3.03Å; D741-Y766 PolarHBondContact O-OH 3.16Å; D741-Y766 PolarHBondContact OD1-OH 3.25Å; D741-Q804 WeakPolarHBondContact CA-O 3.47Å; D741-Q804 HydrophobicContact CB-CB 4.03Å; D741-R806 HydrophobicContact CB-CG 4.24Å; D741-R806 IonicContact OD2-CZ 3.85Å; D741-R806 IonicContact OD2-NE 3.49Å; D741-R806 PolarHBondContact OD2-NE 3.38Å; D741-R806 IonicContact OD2-NH2 3.74Å; D741-R806 PolarHBondContact OD2-NH2 3.03Å; D741-L812 HydrophobicContact CB-CD2 3.94Å
742	D	78.3	Confident	75	Confident	43 Å²	43	42 Å²	42	23%	0.23	23%	0.228	C	C	.	.	S	Bend	trans	-99.7	7.5	176.9	63.7	-16.7	0	0	0	113.3	G744 L775 V802 Q804 H805 R806	D742-G744 PolarHBondContact O-N 3.14Å; D742-L775 HydrophobicContact CB-CB 4.34Å; D742-V802 HydrophobicContact CB-CG1 3.94Å; D742-Q804 PolarHBondContact N-O 3.29Å; D742-H805 WeakPolarHBondContact OD1-CA 3.21Å; D742-H805 IonicContact OD1-ND1 3.9Å; D742-H805 PolarHBondContact OD1-ND1 3.41Å; D742-H805 IonicContact OD2-CE1 2.75Å; D742-H805 PolarHBondContact OD2-CE1 3.38Å; D742-H805 IonicContact OD2-CG 3.75Å; D742-H805 IonicContact OD2-ND1 2.73Å; D742-H805 PolarHBondContact OD2-ND1 3.18Å; D742-R806 PolarHBondContact OD1-N 3.49Å
743	S	74.2	Confident	75.1	Confident	32 Å²	32	39.5 Å²	39.5	22%	0.224	22%	0.22	C	C	.	.	S	Bend	trans	-81.6	-13.7	-171.6	77.7	0	0	0	0	114.4	D741 H745	D741-S743 VanDerWaalsContact CG-OG 3.31Å; D741-S743 VanDerWaalsContact OD1-CB 3.23Å; D741-S743 WeakPolarHBondContact OD1-CB 3.32Å; D741-S743 PolarHBondContact OD1-N 3.38Å; D741-S743 PolarHBondContact OD1-OG 3.19Å; D741-S743 PolarHBondContact OD2-OG 3.03Å; S743-H745 PolarHBondContact O-N 3.36Å; S743-H745 PolarHBondContact O-ND1 2.68Å; S743-H745 PolarHBondContact OG-N 3.01Å
744	G	69.6	Low	74.8	Confident	8 Å²	8	38.7 Å²	38.7	8%	0.082	22%	0.218	C	C	.	.			trans	67.9	7.4	-174	0	0	0	0	0	115.2	D742 Y766	D742-G744 PolarHBondContact O-N 3.14Å; G744-Y766 VanDerWaalsContact C-CE1 3.5Å
745	H	77	Confident	74.5	Confident	130 Å²	130	38.8 Å²	38.8	60%	0.602	22%	0.219	S	C	*	.			trans	-98.7	115.3	179.1	-70.1	71.1	0	0	0	111	S743 G747	S743-H745 PolarHBondContact O-N 3.36Å; S743-H745 PolarHBondContact O-ND1 2.68Å; S743-H745 PolarHBondContact OG-N 3.01Å; H745-G747 PolarHBondContact O-N 3.13Å
746	W	77.3	Confident	74.1	Confident	26 Å²	26	42.2 Å²	42.2	10%	0.098	24%	0.235	C	C	.	.			trans	-63.7	133.7	177.8	-162.2	-102.1	0	0	0	111.8	F752 L755 P762 R763 Y766 L800	W746-F752 HydrophobicContact CD2-CD1 4.09Å; W746-F752 AromaticContact CE2-CD1 3.74Å; W746-F752 HydrophobicContact CH2-CD1 4.36Å; W746-F752 AromaticContact CZ2-CD1 3.9Å; W746-F752 HydrophobicContact CZ2-CD1 3.9Å; W746-F752 PolarHBondContact NE1-O 3.06Å; W746-L755 HydrophobicContact CZ2-CB 4.48Å; W746-P762 HydrophobicContact CH2-CB 3.74Å; W746-P762 HydrophobicContact CZ2-CB 4.25Å; W746-P762 HydrophobicContact CZ3-CB 4.41Å; W746-R763 HydrophobicContact CB-CG 3.91Å; W746-R763 HydrophobicContact CD2-CB 3.96Å; W746-R763 HydrophobicContact CD2-CG 4.16Å; W746-R763 HydrophobicContact CE3-CB 4.34Å; W746-R763 HydrophobicContact CG-CB 4.12Å; W746-R763 HydrophobicContact CG-CG 3.82Å; W746-Y766 AromaticContact CE3-CD1 3.72Å; W746-Y766 HydrophobicContact CE3-CD1 3.72Å; W746-Y766 HydrophobicContact CE3-CE1 4.48Å; W746-Y766 AromaticContact CE3-CG 3.96Å; W746-Y766 HydrophobicContact CE3-CG 3.96Å; W746-Y766 HydrophobicContact CZ3-CD1 4.33Å; W746-Y766 HydrophobicContact CZ3-CG 4.12Å; W746-L800 HydrophobicContact CH2-CD1 4.24Å; W746-L800 HydrophobicContact CZ3-CD1 3.9Å
747	G	68.2	Low	73.6	Confident	20 Å²	20	50.3 Å²	50.3	21%	0.206	27%	0.27	C	S	.	.			trans	-69	160.7	-178	0	0	0	0	0	113.6	H745 F752	H745-G747 PolarHBondContact O-N 3.13Å; G747-F752 WeakPolarHBondContact O-CB 3.5Å
748	R	61.6	Low	73.1	Confident	247 Å²	247	51.5 Å²	51.5	93%	0.932	28%	0.275	S	S	*	.			trans	-114	128.8	172.6	-66.3	-172.7	-177.4	-128.5	3.3	110.6
749	G	60.3	Low	72.7	Confident	38 Å²	38	50.7 Å²	50.7	39%	0.392	27%	0.272	S	S	.	.	S	Bend	trans	98.8	161.5	177.5	0	0	0	0	0	114.3	T753	G749-T753 WeakPolarHBondContact CA-OG1 3.22Å; G749-T753 PolarHBondContact N-OG1 3.1Å
750	G	71.4	Confident	72.5	Confident	66 Å²	66	52.9 Å²	52.9	68%	0.68	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-136	178.2	0	0	0	0	0	113.3	F752 T753 A754	G750-F752 VanDerWaalsContact C-N 3.28Å; G750-F752 PolarHBondContact O-N 3.4Å; G750-T753 PolarHBondContact O-N 3.28Å; G750-T753 VanDerWaalsContact O-N 3.13Å; G750-A754 PolarHBondContact O-N 3.12Å; G750-A754 VanDerWaalsContact O-N 3.13Å
751	L	68.4	Low	72.3	Confident	29 Å²	29	56.9 Å²	56.9	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-36.8	-176.1	-163.6	76.1	0	0	0	112.9	V724 T725 H738 T753 A754 L755 P841	V724-L751 HydrophobicContact CB-CD1 4.34Å; V724-L751 HydrophobicContact CG2-CD1 4.48Å; T725-L751 HydrophobicContact CG2-CD1 3.61Å; T725-L751 HydrophobicContact CG2-CG 4.46Å; H738-L751 HydrophobicContact CB-CD2 4.1Å; H738-L751 WeakPolarHBondContact ND1-CD2 3.15Å; L751-T753 VanDerWaalsContact C-N 3.29Å; L751-T753 PolarHBondContact O-N 3.32Å; L751-A754 PolarHBondContact O-N 2.78Å; L751-L755 HydrophobicContact CD2-CD1 4.29Å; L751-L755 HydrophobicContact CG-CD1 4.04Å; L751-L755 HydrophobicContact CG-CG 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 WeakPolarHBondContact O-CG 3.13Å; L751-L755 PolarHBondContact O-N 3.21Å; L751-P841 HydrophobicContact CD2-CG 4.38Å
752	F	72.8	Confident	72.1	Confident	43 Å²	43	56.4 Å²	56.4	19%	0.189	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-36.9	178.3	-66.5	-74.5	0	0	0	112.8	H738 V740 W746 G747 G750 E756	H738-F752 AromaticContact CD2-CE1 3.92Å; H738-F752 AromaticContact CD2-CZ 3.66Å; H738-F752 AromaticContact NE2-CE2 3.55Å; H738-F752 AromaticContact NE2-CZ 3.32Å; H738-F752 VanDerWaalsContact NE2-CZ 3.32Å; H738-F752 WeakPolarHBondContact NE2-CZ 3.22Å; V740-F752 HydrophobicContact CG1-CE1 4.08Å; V740-F752 HydrophobicContact CG1-CZ 4.3Å; W746-F752 HydrophobicContact CD2-CD1 4.09Å; W746-F752 AromaticContact CE2-CD1 3.74Å; W746-F752 HydrophobicContact CH2-CD1 4.36Å; W746-F752 AromaticContact CZ2-CD1 3.9Å; W746-F752 HydrophobicContact CZ2-CD1 3.9Å; W746-F752 PolarHBondContact NE1-O 3.06Å; G747-F752 WeakPolarHBondContact O-CB 3.5Å; G750-F752 VanDerWaalsContact C-N 3.28Å; G750-F752 PolarHBondContact O-N 3.4Å; F752-E756 WeakPolarHBondContact O-CB 3.35Å; F752-E756 PolarHBondContact O-N 2.85Å; F752-E756 VanDerWaalsContact O-N 3.13Å
753	T	73	Confident	72.2	Confident	52 Å²	52	59.1 Å²	59.1	32%	0.319	31%	0.314	S	S	.	.	H	α-helix	trans	-83.2	-23.8	177.8	-58.4	0	0	0	0	112.4	G749 G750 L751 K757	G749-T753 WeakPolarHBondContact CA-OG1 3.22Å; G749-T753 PolarHBondContact N-OG1 3.1Å; G750-T753 PolarHBondContact O-N 3.28Å; G750-T753 VanDerWaalsContact O-N 3.13Å; L751-T753 VanDerWaalsContact C-N 3.29Å; L751-T753 PolarHBondContact O-N 3.32Å; T753-K757 WeakPolarHBondContact O-CG 3.38Å; T753-K757 PolarHBondContact O-N 3.38Å
754	A	71.5	Confident	72.5	Confident	24 Å²	24	63.8 Å²	63.8	20%	0.198	33%	0.331	C	S	.	.	H	α-helix	trans	-71.9	-44.7	169.9	0	0	0	0	0	111.3	T725 G750 L751 K757 R758	T725-A754 HydrophobicContact CG2-CB 3.75Å; G750-A754 PolarHBondContact O-N 3.12Å; G750-A754 VanDerWaalsContact O-N 3.13Å; L751-A754 PolarHBondContact O-N 2.78Å; A754-K757 WeakPolarHBondContact O-CB 3.43Å; A754-K757 PolarHBondContact O-N 2.9Å; A754-R758 PolarHBondContact O-N 3.07Å
755	L	73	Confident	72.9	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-41.5	175.9	-70.3	169.4	0	0	0	112.3	T725 W746 L751 K757 R758 S759 L798	T725-L755 HydrophobicContact CG2-CD2 3.9Å; T725-L755 HydrophobicContact CG2-CG 4.08Å; W746-L755 HydrophobicContact CZ2-CB 4.48Å; L751-L755 HydrophobicContact CD2-CD1 4.29Å; L751-L755 HydrophobicContact CG-CD1 4.04Å; L751-L755 HydrophobicContact CG-CG 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 WeakPolarHBondContact O-CG 3.13Å; L751-L755 PolarHBondContact O-N 3.21Å; L755-K757 PolarHBondContact O-N 3.47Å; L755-R758 PolarHBondContact O-N 2.85Å; L755-R758 VanDerWaalsContact O-N 3.08Å; L755-S759 PolarHBondContact O-N 3.4Å; L755-S759 VanDerWaalsContact O-O 3.13Å; L755-L798 HydrophobicContact CD1-CD1 4.17Å; L755-L798 HydrophobicContact CD1-CD2 4.05Å; L755-L798 HydrophobicContact CD2-CD1 4.36Å; L755-L798 HydrophobicContact CD2-CD2 4.38Å
756	E	73.4	Confident	73.1	Confident	73 Å²	73	58.7 Å²	58.7	34%	0.341	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-22.9	176.8	-173.6	171.1	-137.8	0	0	113.3	F752 R763	F752-E756 WeakPolarHBondContact O-CB 3.35Å; F752-E756 PolarHBondContact O-N 2.85Å; F752-E756 VanDerWaalsContact O-N 3.13Å; E756-R763 VanDerWaalsContact OE1-CD 3.26Å; E756-R763 WeakPolarHBondContact OE1-CD 3.26Å; E756-R763 IonicContact OE1-CZ 3.16Å; E756-R763 IonicContact OE1-NE 3.67Å; E756-R763 IonicContact OE1-NH1 3.19Å; E756-R763 PolarHBondContact OE1-NH1 2.81Å
757	K	71.6	Confident	73.3	Confident	171 Å²	171	60.1 Å²	60.1	74%	0.743	31%	0.313	S	S	*	.	H	α-helix	trans	-76.5	-33.4	171.9	-74.6	173.6	178.1	-175.8	0	113.1	T753 A754 L755	T753-K757 WeakPolarHBondContact O-CG 3.38Å; T753-K757 PolarHBondContact O-N 3.38Å; A754-K757 WeakPolarHBondContact O-CB 3.43Å; A754-K757 PolarHBondContact O-N 2.9Å; L755-K757 PolarHBondContact O-N 3.47Å
758	R	71.5	Confident	73.8	Confident	24 Å²	24	63.3 Å²	63.3	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-72.1	-57	174.4	-77.4	-169.3	70	-172.5	5.6	110.8	T725 A754 L755 D787 D796	T725-R758 PolarHBondContact O-NH1 3.1Å; A754-R758 PolarHBondContact O-N 3.07Å; L755-R758 PolarHBondContact O-N 2.85Å; L755-R758 VanDerWaalsContact O-N 3.08Å; R758-D787 WeakPolarHBondContact CB-OD1 3.39Å; R758-D787 IonicContact CZ-OD1 2.78Å; R758-D787 IonicContact CZ-OD2 3.84Å; R758-D787 IonicContact NE-OD1 3.29Å; R758-D787 PolarHBondContact NE-OD1 3.11Å; R758-D787 IonicContact NE-OD2 3.47Å; R758-D787 PolarHBondContact NE-OD2 3.31Å; R758-D787 IonicContact NH2-OD1 2.9Å; R758-D787 PolarHBondContact NH2-OD1 3.03Å; R758-D787 IonicContact NH2-OD2 2.66Å; R758-D787 PolarHBondContact NH2-OD2 3.07Å; R758-D796 IonicContact CZ-OD2 2.73Å; R758-D796 VanDerWaalsContact CZ-OD2 3.29Å; R758-D796 IonicContact NH1-OD2 2.72Å; R758-D796 PolarHBondContact NH1-OD2 2.92Å; R758-D796 IonicContact NH2-OD2 3.7Å; R758-D796 PolarHBondContact NH2-OD2 3.43Å
759	S	73.8	Confident	74.6	Confident	13 Å²	13	51.6 Å²	51.6	9%	0.091	28%	0.281	C	S	.	.			trans	-144.4	144.2	-179.3	-173.3	0	0	0	0	112.9	L755 E761 P762 D786	L755-S759 PolarHBondContact O-N 3.4Å; L755-S759 VanDerWaalsContact O-O 3.13Å; S759-E761 PolarHBondContact OG-N 3.24Å; S759-P762 WeakPolarHBondContact O-CD 3.47Å; S759-D786 WeakPolarHBondContact CB-O 3.46Å; S759-D786 PolarHBondContact OG-O 2.86Å
760	A	75.6	Confident	75.4	Confident	55 Å²	55	50.8 Å²	50.8	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-89.5	-6	175.8	0	0	0	0	0	113.1	K764	A760-K764 WeakPolarHBondContact O-CG 3.09Å
761	E	74.6	Confident	75.7	Confident	86 Å²	86	54.6 Å²	54.6	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-72.2	-42.1	-178.7	-55.2	-165.8	144	0	0	114.7	S759 R763 K764 I765	S759-E761 PolarHBondContact OG-N 3.24Å; E761-R763 PolarHBondContact O-N 2.88Å; E761-R763 VanDerWaalsContact O-N 3.14Å; E761-K764 PolarHBondContact O-N 2.87Å; E761-I765 HydrophobicContact CB-CD1 4.47Å; E761-I765 WeakPolarHBondContact O-CG1 3.2Å; E761-I765 PolarHBondContact O-N 2.96Å
762	P	78.1	Confident	76.1	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-51.7	-41.8	178.2	-26.6	32.9	0	0	0	113	W746 S759 Y766 F783 L798	W746-P762 HydrophobicContact CH2-CB 3.74Å; W746-P762 HydrophobicContact CZ2-CB 4.25Å; W746-P762 HydrophobicContact CZ3-CB 4.41Å; S759-P762 WeakPolarHBondContact O-CD 3.47Å; P762-Y766 WeakPolarHBondContact O-CB 3.49Å; P762-Y766 PolarHBondContact O-N 2.78Å; P762-F783 HydrophobicContact CB-CE2 3.59Å; P762-F783 HydrophobicContact CB-CZ 3.84Å; P762-F783 HydrophobicContact CG-CE2 3.83Å; P762-L798 HydrophobicContact CB-CD2 3.9Å; P762-L798 HydrophobicContact CG-CD2 4.15Å
763	R	80.4	Confident	76	Confident	99 Å²	99	59.8 Å²	59.8	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-46	178.1	176.2	173.1	173.3	-167.8	-9.8	112.2	W746 E756 E761 Y766 E767	W746-R763 HydrophobicContact CB-CG 3.91Å; W746-R763 HydrophobicContact CD2-CB 3.96Å; W746-R763 HydrophobicContact CD2-CG 4.16Å; W746-R763 HydrophobicContact CE3-CB 4.34Å; W746-R763 HydrophobicContact CG-CB 4.12Å; W746-R763 HydrophobicContact CG-CG 3.82Å; E756-R763 VanDerWaalsContact OE1-CD 3.26Å; E756-R763 WeakPolarHBondContact OE1-CD 3.26Å; E756-R763 IonicContact OE1-CZ 3.16Å; E756-R763 IonicContact OE1-NE 3.67Å; E756-R763 IonicContact OE1-NH1 3.19Å; E756-R763 PolarHBondContact OE1-NH1 2.81Å; E761-R763 PolarHBondContact O-N 2.88Å; E761-R763 VanDerWaalsContact O-N 3.14Å; R763-Y766 PolarHBondContact O-N 3.43Å; R763-E767 HydrophobicContact CG-CG 4.45Å; R763-E767 WeakPolarHBondContact CG-OE1 3.45Å; R763-E767 IonicContact CZ-OE1 3.82Å; R763-E767 IonicContact NE-OE1 3.46Å; R763-E767 PolarHBondContact NE-OE1 2.9Å; R763-E767 IonicContact NH2-OE1 2.76Å; R763-E767 PolarHBondContact NH2-OE1 3.41Å; R763-E767 WeakPolarHBondContact O-CB 3.22Å; R763-E767 WeakPolarHBondContact O-CG 3.15Å; R763-E767 PolarHBondContact O-N 3.23Å
764	K	79.5	Confident	76.2	Confident	130 Å²	130	57.8 Å²	57.8	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-62.7	-44	178.5	-69	173.6	-174.6	173.7	0	111.5	A760 E761 L768	A760-K764 WeakPolarHBondContact O-CG 3.09Å; E761-K764 PolarHBondContact O-N 2.87Å; K764-L768 WeakPolarHBondContact O-CB 3.4Å; K764-L768 PolarHBondContact O-N 3.17Å
765	I	78.7	Confident	76.5	Confident	28 Å²	28	57.7 Å²	57.7	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-46.6	179.4	-66.2	164.1	0	0	0	110.2	F685 E761 L768 A769 F783	F685-I765 HydrophobicContact CB-CG2 4.5Å; F685-I765 HydrophobicContact CD2-CG2 3.91Å; F685-I765 HydrophobicContact CE2-CG2 4.44Å; F685-I765 HydrophobicContact CG-CG2 4.27Å; E761-I765 HydrophobicContact CB-CD1 4.47Å; E761-I765 WeakPolarHBondContact O-CG1 3.2Å; E761-I765 PolarHBondContact O-N 2.96Å; I765-L768 PolarHBondContact O-N 3.33Å; I765-A769 WeakPolarHBondContact O-CB 3.21Å; I765-A769 PolarHBondContact O-N 2.79Å; I765-F783 HydrophobicContact CD1-CB 4.16Å; I765-F783 HydrophobicContact CD1-CD1 4.26Å; I765-F783 HydrophobicContact CD1-CD2 4.01Å; I765-F783 HydrophobicContact CD1-CG 3.88Å; I765-F783 HydrophobicContact CG2-CD1 4Å; I765-F783 HydrophobicContact CG2-CE1 4.13Å
766	Y	79.9	Confident	76.7	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-42.9	178.6	-177.4	-102.5	0	0	0	113.5	V740 D741 G744 W746 P762 R763 L768 A769 G770 L775 L781 L800	V740-Y766 HydrophobicContact CB-CE2 3.99Å; V740-Y766 HydrophobicContact CG2-CD2 4.49Å; V740-Y766 HydrophobicContact CG2-CE2 3.69Å; D741-Y766 PolarHBondContact O-OH 3.16Å; D741-Y766 PolarHBondContact OD1-OH 3.25Å; G744-Y766 VanDerWaalsContact C-CE1 3.5Å; W746-Y766 AromaticContact CE3-CD1 3.72Å; W746-Y766 HydrophobicContact CE3-CD1 3.72Å; W746-Y766 HydrophobicContact CE3-CE1 4.48Å; W746-Y766 AromaticContact CE3-CG 3.96Å; W746-Y766 HydrophobicContact CE3-CG 3.96Å; W746-Y766 HydrophobicContact CZ3-CD1 4.33Å; W746-Y766 HydrophobicContact CZ3-CG 4.12Å; P762-Y766 WeakPolarHBondContact O-CB 3.49Å; P762-Y766 PolarHBondContact O-N 2.78Å; R763-Y766 PolarHBondContact O-N 3.43Å; Y766-L768 VanDerWaalsContact C-N 3.3Å; Y766-L768 PolarHBondContact O-N 3.47Å; Y766-A769 PolarHBondContact O-N 3.48Å; Y766-G770 PolarHBondContact O-N 3.02Å; Y766-L775 HydrophobicContact CD2-CD1 4.31Å; Y766-L775 HydrophobicContact CD2-CD2 4.1Å; Y766-L775 HydrophobicContact CE2-CD1 3.76Å; Y766-L775 HydrophobicContact CE2-CD2 3.94Å; Y766-L781 HydrophobicContact CD2-CD1 4.05Å; Y766-L800 HydrophobicContact CD2-CD1 4.28Å
767	E	81.6	Confident	76.9	Confident	56 Å²	56	60.5 Å²	60.5	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-32.6	174.8	-73.9	-178.5	-164.9	0	0	112.1	R763 K771	R763-E767 HydrophobicContact CG-CG 4.45Å; R763-E767 WeakPolarHBondContact CG-OE1 3.45Å; R763-E767 IonicContact CZ-OE1 3.82Å; R763-E767 IonicContact NE-OE1 3.46Å; R763-E767 PolarHBondContact NE-OE1 2.9Å; R763-E767 IonicContact NH2-OE1 2.76Å; R763-E767 PolarHBondContact NH2-OE1 3.41Å; R763-E767 WeakPolarHBondContact O-CB 3.22Å; R763-E767 WeakPolarHBondContact O-CG 3.15Å; R763-E767 PolarHBondContact O-N 3.23Å; E767-K771 WeakPolarHBondContact O-CG 3.22Å; E767-K771 PolarHBondContact O-N 3.19Å
768	L	79.4	Confident	76.8	Confident	88 Å²	88	52.4 Å²	52.4	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-70.1	-47.2	171.7	-88.4	160.1	0	0	0	112	Y682 K764 I765 Y766 G770 K771 M772	Y682-L768 HydrophobicContact CE2-CB 4.34Å; K764-L768 WeakPolarHBondContact O-CB 3.4Å; K764-L768 PolarHBondContact O-N 3.17Å; I765-L768 PolarHBondContact O-N 3.33Å; Y766-L768 VanDerWaalsContact C-N 3.3Å; Y766-L768 PolarHBondContact O-N 3.47Å; L768-G770 VanDerWaalsContact C-N 3.26Å; L768-G770 PolarHBondContact O-N 3.35Å; L768-K771 PolarHBondContact O-N 2.97Å; L768-K771 VanDerWaalsContact O-N 3.11Å; L768-M772 WeakPolarHBondContact O-CB 2.97Å; L768-M772 WeakPolarHBondContact O-CG 3.41Å; L768-M772 PolarHBondContact O-N 3.48Å
769	A	77.4	Confident	77.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-39.2	177	0	0	0	0	0	112.1	I765 Y766 M772 K773 D774 L775 L781	I765-A769 WeakPolarHBondContact O-CB 3.21Å; I765-A769 PolarHBondContact O-N 2.79Å; Y766-A769 PolarHBondContact O-N 3.48Å; A769-M772 CarbonylContact O-C 3.51Å; A769-M772 PolarHBondContact O-N 3.06Å; A769-K773 PolarHBondContact O-N 3.45Å; A769-K773 VanDerWaalsContact O-N 3.13Å; A769-D774 HydrophobicContact CB-CB 4.29Å; A769-D774 PolarHBondContact O-N 3.01Å; A769-L775 HydrophobicContact CB-CD2 3.87Å; A769-L775 HydrophobicContact CB-CG 4.23Å; A769-L781 HydrophobicContact CB-CD1 4.35Å; A769-L781 HydrophobicContact CB-CD2 4.4Å
770	G	77.2	Confident	77.3	Confident	22 Å²	22	51 Å²	51	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-48.2	172.3	0	0	0	0	0	113.3	Y766 L768 M772 K773	Y766-G770 PolarHBondContact O-N 3.02Å; L768-G770 VanDerWaalsContact C-N 3.26Å; L768-G770 PolarHBondContact O-N 3.35Å; G770-M772 VanDerWaalsContact C-N 3.29Å; G770-M772 PolarHBondContact O-N 3.34Å; G770-K773 PolarHBondContact O-N 2.78Å
771	K	77.4	Confident	77.4	Confident	146 Å²	146	48.4 Å²	48.4	64%	0.635	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-37.2	176	-72.7	167.5	-174.9	167.8	0	112.4	E767 L768 K773	E767-K771 WeakPolarHBondContact O-CG 3.22Å; E767-K771 PolarHBondContact O-N 3.19Å; L768-K771 PolarHBondContact O-N 2.97Å; L768-K771 VanDerWaalsContact O-N 3.11Å; K771-K773 VanDerWaalsContact C-N 3.3Å; K771-K773 PolarHBondContact O-N 2.8Å
772	M	76.8	Confident	77.7	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.069	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	11	-179.8	-59.3	-50.3	-60.2	0	0	114	W676 W677 N680 Y682 L768 A769 G770 D774	W676-M772 HydrophobicContact CD2-CE 4.02Å; W676-M772 HydrophobicContact CE3-CE 4.05Å; W676-M772 HydrophobicContact CH2-CE 3.9Å; W676-M772 HydrophobicContact CH2-SD 4.31Å; W676-M772 HydrophobicContact CZ2-CE 3.82Å; W676-M772 HydrophobicContact CZ2-SD 4.25Å; W676-M772 HydrophobicContact CZ3-CE 4.01Å; W676-M772 WeakPolarHBondContact CZ3-O 3.47Å; W677-M772 PolarHBondContact NE1-O 3.12Å; W677-M772 VanDerWaalsContact NE1-O 3.08Å; N680-M772 HydrophobicContact CB-CE 3.67Å; N680-M772 HydrophobicContact CB-SD 4.23Å; Y682-M772 HydrophobicContact CD1-CB 4Å; Y682-M772 HydrophobicContact CD1-CG 4.1Å; Y682-M772 HydrophobicContact CD2-CB 4.34Å; Y682-M772 HydrophobicContact CD2-CG 3.77Å; Y682-M772 HydrophobicContact CE1-CB 4.02Å; Y682-M772 HydrophobicContact CE1-CG 4.47Å; Y682-M772 HydrophobicContact CE2-CB 4.35Å; Y682-M772 HydrophobicContact CE2-CG 4.17Å; Y682-M772 HydrophobicContact CG-CB 4.16Å; Y682-M772 HydrophobicContact CG-CG 3.74Å; L768-M772 WeakPolarHBondContact O-CB 2.97Å; L768-M772 WeakPolarHBondContact O-CG 3.41Å; L768-M772 PolarHBondContact O-N 3.48Å; A769-M772 CarbonylContact O-C 3.51Å; A769-M772 PolarHBondContact O-N 3.06Å; G770-M772 VanDerWaalsContact C-N 3.29Å; G770-M772 PolarHBondContact O-N 3.34Å; M772-D774 PolarHBondContact O-N 3.5Å
773	K	72.4	Confident	77.8	Confident	166 Å²	166	45.7 Å²	45.7	72%	0.722	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	46.6	-179.9	-63.5	-175.8	178.2	179.9	0	112.7	K673 A769 G770 K771	K673-K773 VanDerWaalsContact CE-O 3.26Å; K673-K773 WeakPolarHBondContact CE-O 3.44Å; K673-K773 PolarHBondContact NZ-O 2.94Å; A769-K773 PolarHBondContact O-N 3.45Å; A769-K773 VanDerWaalsContact O-N 3.13Å; G770-K773 PolarHBondContact O-N 2.78Å; K771-K773 VanDerWaalsContact C-N 3.3Å; K771-K773 PolarHBondContact O-N 2.8Å
774	D	76.3	Confident	77.5	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.059	23%	0.229	C	C	.	.			trans	-104	-1.4	-179.4	-155.8	24.9	0	0	0	113.2	K673 W677 Y682 S684 A769 M772	K673-D774 IonicContact NZ-OD1 2.7Å; W677-D774 WeakPolarHBondContact CH2-OD1 3.34Å; W677-D774 HydrophobicContact CZ2-CB 3.89Å; W677-D774 VanDerWaalsContact CZ2-CG 3.42Å; W677-D774 WeakPolarHBondContact CZ2-OD1 3.34Å; Y682-D774 HydrophobicContact CE1-CB 4.18Å; Y682-D774 WeakPolarHBondContact CE1-OD2 3.48Å; Y682-D774 PolarHBondContact OH-OD2 3.46Å; S684-D774 VanDerWaalsContact CB-OD2 3.25Å; S684-D774 WeakPolarHBondContact CB-OD2 3.48Å; S684-D774 PolarHBondContact OG-OD2 2.65Å; A769-D774 HydrophobicContact CB-CB 4.29Å; A769-D774 PolarHBondContact O-N 3.01Å; M772-D774 PolarHBondContact O-N 3.5Å
775	L	77.4	Confident	77.2	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.115	21%	0.205	C	C	.	.			trans	-88.4	104.2	172.4	-55.6	178	0	0	0	109.6	D742 Y766 A769 L781 V802	D742-L775 HydrophobicContact CB-CB 4.34Å; Y766-L775 HydrophobicContact CD2-CD1 4.31Å; Y766-L775 HydrophobicContact CD2-CD2 4.1Å; Y766-L775 HydrophobicContact CE2-CD1 3.76Å; Y766-L775 HydrophobicContact CE2-CD2 3.94Å; A769-L775 HydrophobicContact CB-CD2 3.87Å; A769-L775 HydrophobicContact CB-CG 4.23Å; L775-L781 HydrophobicContact CD2-CD1 3.66Å; L775-V802 HydrophobicContact CB-CG2 4.41Å; L775-V802 HydrophobicContact CD2-CG2 3.98Å
776	S	77.6	Confident	76.3	Confident	74 Å²	74	42.9 Å²	42.9	52%	0.517	23%	0.228	S	C	.	.			trans	-114.9	145.3	167.4	59.2	0	0	0	0	110.1	G778 G779 V802	S776-G778 PolarHBondContact O-N 3.08Å; S776-G779 WeakPolarHBondContact O-CA 3.36Å; S776-G779 PolarHBondContact O-N 3.13Å; S776-V802 WeakPolarHBondContact O-CB 3.44Å; S776-V802 WeakPolarHBondContact O-CG1 3.11Å
777	L	77.2	Confident	75.5	Confident	61 Å²	61	44.1 Å²	44.1	32%	0.319	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.7	171.4	-64.7	168.9	0	0	0	109.9	G779 V802 K816 A819	L777-G779 VanDerWaalsContact C-N 3.28Å; L777-V802 WeakPolarHBondContact CA-O 3.31Å; L777-V802 HydrophobicContact CD2-CG1 4.41Å; L777-K816 HydrophobicContact CD1-CD 4.14Å; L777-A819 HydrophobicContact CB-CB 4.33Å
778	G	69.3	Low	74.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-2	-174.1	0	0	0	0	0	114.8	S776 V802 K826	S776-G778 PolarHBondContact O-N 3.08Å; G778-V802 PolarHBondContact N-O 2.86Å; G778-K826 PolarHBondContact O-NZ 3.04Å
779	G	78.4	Confident	73.1	Confident	7 Å²	7	54 Å²	54	7%	0.072	28%	0.275	C	S	.	.			trans	-74.6	144.4	170.5	0	0	0	0	0	112.4	S776 L777 V802	S776-G779 WeakPolarHBondContact O-CA 3.36Å; S776-G779 PolarHBondContact O-N 3.13Å; L777-G779 VanDerWaalsContact C-N 3.28Å; G779-V802 PolarHBondContact O-N 3.49Å
780	V	78.3	Confident	72	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.2	173.5	-177.2	0	0	0	0	109.1	C686 L687 A799 L800 I801 G823 K826 I827	C686-V780 CarbonylContact C-O 3.59Å; C686-V780 WeakPolarHBondContact CA-O 3.48Å; L687-V780 HydrophobicContact CD1-CB 4.15Å; L687-V780 HydrophobicContact CD1-CG1 4.03Å; L687-V780 PolarHBondContact N-O 2.67Å; V780-A799 HydrophobicContact CG1-CB 4.25Å; V780-L800 WeakPolarHBondContact CA-O 3.26Å; V780-I801 HydrophobicContact CG2-CG1 4.25Å; V780-I801 HydrophobicContact CG2-CG2 4.48Å; V780-G823 VanDerWaalsContact CG2-CA 3.46Å; V780-K826 HydrophobicContact CG2-CB 4.12Å; V780-K826 HydrophobicContact CG2-CD 4.41Å; V780-I827 HydrophobicContact CG1-CD1 4.25Å; V780-I827 HydrophobicContact CG1-CG1 3.93Å; V780-I827 HydrophobicContact CG2-CG1 4.45Å
781	L	78.3	Confident	71.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.8	169.8	-70.6	162.7	0	0	0	108.9	F685 C686 Y766 A769 L775 F783 A799 L800	F685-L781 HydrophobicContact CB-CD2 3.99Å; F685-L781 WeakPolarHBondContact O-CA 3.4Å; C686-L781 VanDerWaalsContact SG-CD2 3.52Å; Y766-L781 HydrophobicContact CD2-CD1 4.05Å; A769-L781 HydrophobicContact CB-CD1 4.35Å; A769-L781 HydrophobicContact CB-CD2 4.4Å; L775-L781 HydrophobicContact CD2-CD1 3.66Å; L781-F783 HydrophobicContact CB-CD1 4.4Å; L781-F783 HydrophobicContact CB-CE1 4.15Å; L781-A799 CarbonylContact O-C 3.5Å; L781-A799 VanDerWaalsContact O-CA 3.31Å; L781-A799 WeakPolarHBondContact O-CA 3.38Å; L781-L800 HydrophobicContact CB-CB 4.33Å; L781-L800 PolarHBondContact N-O 3.21Å; L781-L800 PolarHBondContact O-N 3.48Å
782	L	80.1	Confident	70.1	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	177.4	-178.6	68.2	0	0	0	110.7	F685 L687 L735 L797 A799 A830	F685-L782 PolarHBondContact O-N 3.31Å; L687-L782 HydrophobicContact CD2-CB 4.17Å; L687-L782 HydrophobicContact CD2-CD2 3.98Å; L687-L782 HydrophobicContact CG-CB 4.24Å; L735-L782 HydrophobicContact CD2-CD1 3.49Å; L735-L782 VanDerWaalsContact CD2-CD1 3.49Å; L782-L797 HydrophobicContact CD1-CB 4.16Å; L782-A799 HydrophobicContact CD1-CB 4.08Å; L782-A830 HydrophobicContact CD2-CB 4.16Å
783	F	79.4	Confident	69.2	Low	4 Å²	4	68.5 Å²	68.5	2%	0.018	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.5	177.2	48.9	-95.8	0	0	0	111.6	F685 P762 I765 L781 L798 L800	F685-F783 HydrophobicContact CD1-CB 4.18Å; P762-F783 HydrophobicContact CB-CE2 3.59Å; P762-F783 HydrophobicContact CB-CZ 3.84Å; P762-F783 HydrophobicContact CG-CE2 3.83Å; I765-F783 HydrophobicContact CD1-CB 4.16Å; I765-F783 HydrophobicContact CD1-CD1 4.26Å; I765-F783 HydrophobicContact CD1-CD2 4.01Å; I765-F783 HydrophobicContact CD1-CG 3.88Å; I765-F783 HydrophobicContact CG2-CD1 4Å; I765-F783 HydrophobicContact CG2-CE1 4.13Å; L781-F783 HydrophobicContact CB-CD1 4.4Å; L781-F783 HydrophobicContact CB-CE1 4.15Å; F783-L798 HydrophobicContact CD2-CB 4.37Å; F783-L798 HydrophobicContact CE2-CB 3.88Å; F783-L798 HydrophobicContact CE2-CD2 3.78Å; F783-L798 HydrophobicContact CE2-CG 4.21Å; F783-L798 HydrophobicContact CZ-CB 4.34Å; F783-L798 HydrophobicContact CZ-CD2 3.87Å; F783-L798 HydrophobicContact CZ-CG 4.26Å; F783-L798 PolarHBondContact N-O 3.4Å; F783-L798 PolarHBondContact O-N 2.86Å; F783-L800 HydrophobicContact CE1-CD1 4.16Å; F783-L800 HydrophobicContact CE1-CG 4.42Å; F783-L800 HydrophobicContact CZ-CD1 3.95Å; F783-L800 HydrophobicContact CZ-CG 4.29Å
784	P	74.7	Confident	68.7	Low	70 Å²	70	61.7 Å²	61.7	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	147	173.5	29.6	-34.7	0	0	0	110.9	L797	P784-L797 HydrophobicContact CB-CD2 4.31Å
785	V	72.6	Confident	68.5	Low	12 Å²	12	66.9 Å²	66.9	7%	0.073	35%	0.349	C	S	.	.			trans	-93.8	94.8	168.5	178.7	0	0	0	0	106.6	D787 D796 L798	V785-D787 PolarHBondContact O-N 3.12Å; V785-D796 PolarHBondContact N-O 3.25Å; V785-L798 HydrophobicContact CG2-CB 3.64Å
786	D	61.1	Low	68.5	Low	115 Å²	115	66.3 Å²	66.3	62%	0.615	35%	0.346	S	S	*	.			trans	-75	120	175.1	-141.8	12	0	0	0	108.7	S759	S759-D786 WeakPolarHBondContact CB-O 3.46Å; S759-D786 PolarHBondContact OG-O 2.86Å
787	D	62.2	Low	68.7	Low	30 Å²	30	63 Å²	63	16%	0.16	32%	0.322	C	S	.	.			trans	-119.8	156.2	-151.5	-156.3	36.4	0	0	0	112.2	R758 V785	R758-D787 WeakPolarHBondContact CB-OD1 3.39Å; R758-D787 IonicContact CZ-OD1 2.78Å; R758-D787 IonicContact CZ-OD2 3.84Å; R758-D787 IonicContact NE-OD1 3.29Å; R758-D787 PolarHBondContact NE-OD1 3.11Å; R758-D787 IonicContact NE-OD2 3.47Å; R758-D787 PolarHBondContact NE-OD2 3.31Å; R758-D787 IonicContact NH2-OD1 2.9Å; R758-D787 PolarHBondContact NH2-OD1 3.03Å; R758-D787 IonicContact NH2-OD2 2.66Å; R758-D787 PolarHBondContact NH2-OD2 3.07Å; V785-D787 PolarHBondContact O-N 3.12Å
788	K	55.5	Low	68.9	Low	187 Å²	187	60 Å²	60	81%	0.813	31%	0.307	S	S	*	.	S	Bend	trans	-84.8	-17.3	173.9	-72.5	-178.4	179.1	174.7	0	113.7
789	E	55.7	Low	69.5	Low	163 Å²	163	60.1 Å²	60.1	76%	0.762	31%	0.307	S	S	*	.	S	Bend	trans	-132.4	54.7	-177.8	-65.8	-173.6	173.5	0	0	110.7
790	S	54.8	Low	69.7	Low	79 Å²	79	59.8 Å²	59.8	55%	0.552	30%	0.304	S	S	*	.			trans	-54	138.5	-176	-50.7	0	0	0	0	113.7
791	R	60.5	Low	70	Confident	72 Å²	72	59.8 Å²	59.8	27%	0.272	30%	0.304	S	S	.	.			trans	-70.9	136.9	177.9	-58.7	179.9	64.9	-133.6	-12.6	110.6	A729 G730 K793 D796	A729-R791 PolarHBondContact O-NH1 3.46Å; A729-R791 PolarHBondContact O-NH2 3.2Å; G730-R791 PolarHBondContact O-NH2 3.26Å; R791-K793 PolarHBondContact O-N 3.47Å; R791-D796 WeakPolarHBondContact CD-OD1 3.3Å; R791-D796 IonicContact NH1-OD1 3.8Å
792	N	53.7	Low	70.2	Confident	169 Å²	169	59.8 Å²	59.8	90%	0.904	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.5	-172.3	-73.1	-34.4	0	0	0	116.1
793	K	58.2	Low	70.1	Confident	167 Å²	167	58.5 Å²	58.5	73%	0.726	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.1	53.1	-176.1	-67.2	-166.9	177.2	-176.5	0	114	A731 R791	A731-K793 CarbonylContact C-O 3.58Å; A731-K793 WeakPolarHBondContact CA-O 3.36Å; A731-K793 HydrophobicContact CB-CB 4.35Å; R791-K793 PolarHBondContact O-N 3.47Å
794	G	62.4	Low	70.1	Confident	23 Å²	23	59.8 Å²	59.8	24%	0.237	30%	0.304	C	S	.	.			trans	173.2	156.2	172	0	0	0	0	0	112.4
795	Q	71.9	Confident	70.3	Confident	120 Å²	120	59.7 Å²	59.7	56%	0.561	30%	0.297	S	S	*	.			trans	-104.6	134.7	177.8	-67.9	-172	-10.2	0	0	112.3	D733 A734	D733-Q795 WeakPolarHBondContact CA-O 3.37Å; D733-Q795 PolarHBondContact OD1-N 3.33Å; A734-Q795 PolarHBondContact N-O 3.02Å; A734-Q795 VanDerWaalsContact N-O 3.07Å
796	D	77.6	Confident	70.4	Confident	11 Å²	11	61.7 Å²	61.7	6%	0.059	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.3	170.8	-72.6	3.9	0	0	0	109.5	R758 V785 R791	R758-D796 IonicContact CZ-OD2 2.73Å; R758-D796 VanDerWaalsContact CZ-OD2 3.29Å; R758-D796 IonicContact NH1-OD2 2.72Å; R758-D796 PolarHBondContact NH1-OD2 2.92Å; R758-D796 IonicContact NH2-OD2 3.7Å; R758-D796 PolarHBondContact NH2-OD2 3.43Å; V785-D796 PolarHBondContact N-O 3.25Å; R791-D796 WeakPolarHBondContact CD-OD1 3.3Å; R791-D796 IonicContact NH1-OD1 3.8Å
797	L	80.5	Confident	70.8	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.7	-179.2	-71.9	155.6	0	0	0	109.2	A734 L735 I736 L782 P784 K834	A734-L797 PolarHBondContact O-N 3.05Å; L735-L797 WeakPolarHBondContact CA-O 3.46Å; L735-L797 HydrophobicContact CD2-CB 3.62Å; L735-L797 HydrophobicContact CD2-CD1 4.08Å; L735-L797 HydrophobicContact CD2-CG 4.49Å; L735-L797 HydrophobicContact CG-CB 4.41Å; I736-L797 PolarHBondContact N-O 3.05Å; L782-L797 HydrophobicContact CD1-CB 4.16Å; P784-L797 HydrophobicContact CB-CD2 4.31Å; L797-K834 HydrophobicContact CD1-CD 3.58Å
798	L	81.4	Confident	70.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.7	175.4	-174.5	63.9	0	0	0	110	I736 L755 P762 F783 V785 L800	I736-L798 HydrophobicContact CB-CD1 4.03Å; I736-L798 HydrophobicContact CG2-CD1 3.82Å; L755-L798 HydrophobicContact CD1-CD1 4.17Å; L755-L798 HydrophobicContact CD1-CD2 4.05Å; L755-L798 HydrophobicContact CD2-CD1 4.36Å; L755-L798 HydrophobicContact CD2-CD2 4.38Å; P762-L798 HydrophobicContact CB-CD2 3.9Å; P762-L798 HydrophobicContact CG-CD2 4.15Å; F783-L798 HydrophobicContact CD2-CB 4.37Å; F783-L798 HydrophobicContact CE2-CB 3.88Å; F783-L798 HydrophobicContact CE2-CD2 3.78Å; F783-L798 HydrophobicContact CE2-CG 4.21Å; F783-L798 HydrophobicContact CZ-CB 4.34Å; F783-L798 HydrophobicContact CZ-CD2 3.87Å; F783-L798 HydrophobicContact CZ-CG 4.26Å; F783-L798 PolarHBondContact N-O 3.4Å; F783-L798 PolarHBondContact O-N 2.86Å; V785-L798 HydrophobicContact CG2-CB 3.64Å; L798-L800 HydrophobicContact CD1-CD2 4.08Å; L798-L800 HydrophobicContact CD2-CD2 4.01Å; L798-L800 HydrophobicContact CD2-CG 4.39Å; L798-L800 HydrophobicContact CG-CD2 3.87Å; L798-L800 HydrophobicContact CG-CG 4.24Å
799	A	83.3	Confident	71	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113	175.5	0	0	0	0	0	109.9	I736 V737 H738 V780 L781 L782 I827	I736-A799 PolarHBondContact O-N 3.45Å; V737-A799 WeakPolarHBondContact CA-O 3.48Å; V737-A799 HydrophobicContact CG2-CB 4.19Å; H738-A799 PolarHBondContact N-O 3.44Å; V780-A799 HydrophobicContact CG1-CB 4.25Å; L781-A799 CarbonylContact O-C 3.5Å; L781-A799 VanDerWaalsContact O-CA 3.31Å; L781-A799 WeakPolarHBondContact O-CA 3.38Å; L782-A799 HydrophobicContact CD1-CB 4.08Å; A799-I827 HydrophobicContact CB-CD1 4.3Å; A799-I827 HydrophobicContact CB-CG1 4.41Å
800	L	82.6	Confident	71.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.1	177.2	-55.9	-178.6	0	0	0	110.1	H738 V740 W746 Y766 V780 L781 F783 L798	H738-L800 HydrophobicContact CB-CD2 3.98Å; H738-L800 WeakPolarHBondContact O-CA 3.15Å; V740-L800 HydrophobicContact CG1-CB 4.24Å; V740-L800 HydrophobicContact CG1-CD1 4.33Å; V740-L800 HydrophobicContact CG1-CD2 4.09Å; V740-L800 HydrophobicContact CG1-CG 4.46Å; V740-L800 HydrophobicContact CG2-CB 3.97Å; W746-L800 HydrophobicContact CH2-CD1 4.24Å; W746-L800 HydrophobicContact CZ3-CD1 3.9Å; Y766-L800 HydrophobicContact CD2-CD1 4.28Å; V780-L800 WeakPolarHBondContact CA-O 3.26Å; L781-L800 HydrophobicContact CB-CB 4.33Å; L781-L800 PolarHBondContact N-O 3.21Å; L781-L800 PolarHBondContact O-N 3.48Å; F783-L800 HydrophobicContact CE1-CD1 4.16Å; F783-L800 HydrophobicContact CE1-CG 4.42Å; F783-L800 HydrophobicContact CZ-CD1 3.95Å; F783-L800 HydrophobicContact CZ-CG 4.29Å; L798-L800 HydrophobicContact CD1-CD2 4.08Å; L798-L800 HydrophobicContact CD2-CD2 4.01Å; L798-L800 HydrophobicContact CD2-CG 4.39Å; L798-L800 HydrophobicContact CG-CD2 3.87Å; L798-L800 HydrophobicContact CG-CG 4.24Å
801	I	83.6	Confident	72	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.9	175.8	-49.2	175.6	0	0	0	109.4	V737 H738 C739 V740 V780 A803 L820 I827	V737-I801 HydrophobicContact CG1-CD1 3.71Å; V737-I801 HydrophobicContact CG1-CG1 4.1Å; H738-I801 PolarHBondContact O-N 2.9Å; C739-I801 CarbonylContact C-O 3.58Å; C739-I801 WeakPolarHBondContact CA-O 3.32Å; V740-I801 PolarHBondContact N-O 2.81Å; V780-I801 HydrophobicContact CG2-CG1 4.25Å; V780-I801 HydrophobicContact CG2-CG2 4.48Å; I801-A803 HydrophobicContact CG2-CB 4.2Å; I801-A803 PolarHBondContact O-N 3.13Å; I801-A803 VanDerWaalsContact O-N 3.13Å; I801-L820 HydrophobicContact CD1-CD1 3.82Å; I801-I827 HydrophobicContact CD1-CD1 3.54Å; I801-I827 HydrophobicContact CG1-CD1 3.66Å
802	V	82	Confident	72.4	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	94.8	173.1	-176.6	0	0	0	0	108.9	V740 D742 L775 S776 L777 G778 G779	V740-V802 HydrophobicContact CG2-CG2 4.1Å; D742-V802 HydrophobicContact CB-CG1 3.94Å; L775-V802 HydrophobicContact CB-CG2 4.41Å; L775-V802 HydrophobicContact CD2-CG2 3.98Å; S776-V802 WeakPolarHBondContact O-CB 3.44Å; S776-V802 WeakPolarHBondContact O-CG1 3.11Å; L777-V802 WeakPolarHBondContact CA-O 3.31Å; L777-V802 HydrophobicContact CD2-CG1 4.41Å; G778-V802 PolarHBondContact N-O 2.86Å; G779-V802 PolarHBondContact O-N 3.49Å
803	A	78.6	Confident	73.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.			trans	-122.5	-4.2	-172.4	0	0	0	0	0	114.2	C739 V740 I801 I815 K816	C739-A803 HydrophobicContact CB-CB 4.43Å; V740-A803 PolarHBondContact O-N 3.3Å; I801-A803 HydrophobicContact CG2-CB 4.2Å; I801-A803 PolarHBondContact O-N 3.13Å; I801-A803 VanDerWaalsContact O-N 3.13Å; A803-I815 HydrophobicContact CB-CG2 3.91Å; A803-K816 PolarHBondContact O-N 3.01Å
804	Q	79.7	Confident	73.7	Confident	32 Å²	32	53.5 Å²	53.5	15%	0.15	28%	0.284	C	S	.	.			trans	-119.8	151.5	176.3	-68.2	-180	-45.9	0	0	110.7	V740 D741 D742 L812 I815	V740-Q804 PolarHBondContact O-N 3.47Å; D741-Q804 WeakPolarHBondContact CA-O 3.47Å; D741-Q804 HydrophobicContact CB-CB 4.03Å; D742-Q804 PolarHBondContact N-O 3.29Å; Q804-L812 HydrophobicContact CB-CD2 4.44Å; Q804-I815 HydrophobicContact CG-CB 4.42Å; Q804-I815 HydrophobicContact CG-CG1 3.77Å
805	H	77.8	Confident	74.3	Confident	67 Å²	67	53.3 Å²	53.3	31%	0.31	28%	0.278	S	S	.	.			trans	-114.2	142.3	173.1	-178.3	56.2	0	0	0	109.6	D742 S813	D742-H805 WeakPolarHBondContact OD1-CA 3.21Å; D742-H805 IonicContact OD1-ND1 3.9Å; D742-H805 PolarHBondContact OD1-ND1 3.41Å; D742-H805 IonicContact OD2-CE1 2.75Å; D742-H805 PolarHBondContact OD2-CE1 3.38Å; D742-H805 IonicContact OD2-CG 3.75Å; D742-H805 IonicContact OD2-ND1 2.73Å; D742-H805 PolarHBondContact OD2-ND1 3.18Å; H805-S813 PolarHBondContact N-OG 3.45Å; H805-S813 WeakPolarHBondContact O-CB 3.46Å; H805-S813 PolarHBondContact O-N 3.32Å; H805-S813 PolarHBondContact O-OG 2.97Å
806	R	75.4	Confident	74.6	Confident	55 Å²	55	51.9 Å²	51.9	21%	0.208	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-102.8	124.1	164.7	-69.2	-155.9	-162.2	174.7	13.8	111.8	D741 D742 N810 L812	D741-R806 HydrophobicContact CB-CG 4.24Å; D741-R806 IonicContact OD2-CZ 3.85Å; D741-R806 IonicContact OD2-NE 3.49Å; D741-R806 PolarHBondContact OD2-NE 3.38Å; D741-R806 IonicContact OD2-NH2 3.74Å; D741-R806 PolarHBondContact OD2-NH2 3.03Å; D742-R806 PolarHBondContact OD1-N 3.49Å; R806-N810 VanDerWaalsContact CD-OD1 3.29Å; R806-N810 WeakPolarHBondContact CD-OD1 3.45Å; R806-N810 PolarHBondContact NH1-OD1 3.49Å; R806-L812 HydrophobicContact CG-CD2 3.71Å; R806-L812 HydrophobicContact CG-CG 4.01Å
807	D	68.7	Low	74.6	Confident	100 Å²	100	54.6 Å²	54.6	54%	0.535	28%	0.283	S	S	.	.			trans	-72.1	165	175.8	-139.3	-26.5	0	0	0	111.5	S809 N810 V811	D807-S809 PolarHBondContact O-N 2.73Å; D807-N810 WeakPolarHBondContact O-CA 2.92Å; D807-N810 PolarHBondContact O-N 3.28Å; D807-V811 PolarHBondContact N-O 2.83Å
808	R	61.4	Low	74.5	Confident	256 Å²	256	58.1 Å²	58.1	97%	0.966	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.6	-177.2	-69.3	-175.7	-179.8	177.4	1.8	114.4	N810	R808-N810 VanDerWaalsContact C-N 3.29Å
809	S	61.3	Low	74.4	Confident	84 Å²	84	58.5 Å²	58.5	59%	0.587	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	172.6	52.3	0	0	0	0	114.1	D807 V811	D807-S809 PolarHBondContact O-N 2.73Å; S809-V811 PolarHBondContact O-N 3.01Å; S809-V811 WeakPolarHBondContact OG-CG2 3.47Å
810	N	62.9	Low	74.3	Confident	109 Å²	109	58.5 Å²	58.5	58%	0.583	32%	0.315	S	S	*	.	S	Bend	trans	60.9	24.6	-173.9	-160.5	19.1	0	0	0	113.8	R806 D807 R808	R806-N810 VanDerWaalsContact CD-OD1 3.29Å; R806-N810 WeakPolarHBondContact CD-OD1 3.45Å; R806-N810 PolarHBondContact NH1-OD1 3.49Å; D807-N810 WeakPolarHBondContact O-CA 2.92Å; D807-N810 PolarHBondContact O-N 3.28Å; R808-N810 VanDerWaalsContact C-N 3.29Å
811	V	68	Low	74.2	Confident	91 Å²	91	60.8 Å²	60.8	55%	0.552	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-87.1	130	172.1	-179.8	0	0	0	0	109.1	D807 S809	D807-V811 PolarHBondContact N-O 2.83Å; S809-V811 PolarHBondContact O-N 3.01Å; S809-V811 WeakPolarHBondContact OG-CG2 3.47Å
812	L	69.2	Low	74.1	Confident	85 Å²	85	64.7 Å²	64.7	45%	0.445	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-77.1	130.3	176	-83.8	153.8	0	0	0	110.9	D741 Q804 R806	D741-L812 HydrophobicContact CB-CD2 3.94Å; Q804-L812 HydrophobicContact CB-CD2 4.44Å; R806-L812 HydrophobicContact CG-CD2 3.71Å; R806-L812 HydrophobicContact CG-CG 4.01Å
813	S	69.3	Low	74	Confident	38 Å²	38	64.6 Å²	64.6	27%	0.266	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-70.1	162.3	169	80.5	0	0	0	0	111.7	H805	H805-S813 PolarHBondContact N-OG 3.45Å; H805-S813 WeakPolarHBondContact O-CB 3.46Å; H805-S813 PolarHBondContact O-N 3.32Å; H805-S813 PolarHBondContact O-OG 2.97Å
814	G	70.2	Confident	74.2	Confident	46 Å²	46	64.7 Å²	64.7	47%	0.474	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-56.1	158.4	159.4	0	0	0	0	0	111.7	K816	G814-K816 PolarHBondContact O-N 3.09Å
815	I	74.9	Confident	74.4	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.097	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-68.2	122.1	174.3	-59	176.8	0	0	0	108.1	A803 Q804 M817 L820 I843 F850	A803-I815 HydrophobicContact CB-CG2 3.91Å; Q804-I815 HydrophobicContact CG-CB 4.42Å; Q804-I815 HydrophobicContact CG-CG1 3.77Å; I815-M817 HydrophobicContact CB-CE 4.1Å; I815-M817 HydrophobicContact CG2-CE 3.74Å; I815-M817 WeakPolarHBondContact O-CE 3.49Å; I815-M817 PolarHBondContact O-N 3.06Å; I815-L820 HydrophobicContact CG2-CD2 4.35Å; I815-I843 HydrophobicContact CD1-CG2 3.47Å; I815-I843 VanDerWaalsContact CD1-CG2 3.47Å; I815-F850 HydrophobicContact CB-CD2 4.3Å; I815-F850 HydrophobicContact CB-CE2 3.85Å; I815-F850 HydrophobicContact CD1-CD2 4.2Å; I815-F850 HydrophobicContact CD1-CE2 3.7Å; I815-F850 HydrophobicContact CD1-CZ 4.15Å; I815-F850 HydrophobicContact CG1-CD2 4.49Å; I815-F850 HydrophobicContact CG1-CE2 4.19Å; I815-F850 HydrophobicContact CG2-CE2 4.3Å
816	K	78.5	Confident	74.5	Confident	91 Å²	91	65.7 Å²	65.7	40%	0.396	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-81.1	118.3	-179.3	-63.8	-175.5	-178.4	-179.2	0	110.2	L777 A803 G814 A818 A819 L820	L777-K816 HydrophobicContact CD1-CD 4.14Å; A803-K816 PolarHBondContact O-N 3.01Å; G814-K816 PolarHBondContact O-N 3.09Å; K816-A818 PolarHBondContact O-N 2.73Å; K816-A819 HydrophobicContact CB-CB 4.22Å; K816-A819 PolarHBondContact O-N 3.25Å; K816-L820 PolarHBondContact O-N 2.96Å; K816-L820 VanDerWaalsContact O-N 3.1Å
817	M	77.3	Confident	74.9	Confident	67 Å²	67	63.2 Å²	63.2	33%	0.33	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-39.9	-175.3	-65.6	-62.9	97	0	0	113.4	I815 A819 L820 E821 F850 L858	I815-M817 HydrophobicContact CB-CE 4.1Å; I815-M817 HydrophobicContact CG2-CE 3.74Å; I815-M817 WeakPolarHBondContact O-CE 3.49Å; I815-M817 PolarHBondContact O-N 3.06Å; M817-A819 PolarHBondContact O-N 3.36Å; M817-L820 HydrophobicContact CE-CD2 4.01Å; M817-L820 WeakPolarHBondContact O-CB 3.46Å; M817-L820 PolarHBondContact O-N 2.92Å; M817-L820 HydrophobicContact SD-CD2 4.48Å; M817-E821 PolarHBondContact O-N 3.48Å; M817-F850 HydrophobicContact CE-CE2 3.68Å; M817-F850 HydrophobicContact CE-CZ 4.37Å; M817-L858 HydrophobicContact SD-CD1 4.37Å
818	A	78.9	Confident	75.6	Confident	78 Å²	78	59.4 Å²	59.4	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-61	-42.7	177.2	0	0	0	0	0	112.9	K816 L820 E821 E822	K816-A818 PolarHBondContact O-N 2.73Å; A818-L820 VanDerWaalsContact C-N 3.33Å; A818-L820 PolarHBondContact O-N 2.88Å; A818-E821 PolarHBondContact O-N 3.19Å; A818-E822 PolarHBondContact O-N 3.36Å
819	A	78.1	Confident	76.5	Confident	8 Å²	8	50.5 Å²	50.5	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-34	176.2	0	0	0	0	0	112.2	L777 K816 M817 G823	L777-A819 HydrophobicContact CB-CB 4.33Å; K816-A819 HydrophobicContact CB-CB 4.22Å; K816-A819 PolarHBondContact O-N 3.25Å; M817-A819 PolarHBondContact O-N 3.36Å; A819-G823 PolarHBondContact O-N 3.23Å
820	L	81.2	Confident	77.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-41.5	174.2	-174.7	62.3	0	0	0	111.7	I801 I815 K816 M817 A818 G823 L824 T855	I801-L820 HydrophobicContact CD1-CD1 3.82Å; I815-L820 HydrophobicContact CG2-CD2 4.35Å; K816-L820 PolarHBondContact O-N 2.96Å; K816-L820 VanDerWaalsContact O-N 3.1Å; M817-L820 HydrophobicContact CE-CD2 4.01Å; M817-L820 WeakPolarHBondContact O-CB 3.46Å; M817-L820 PolarHBondContact O-N 2.92Å; M817-L820 HydrophobicContact SD-CD2 4.48Å; A818-L820 VanDerWaalsContact C-N 3.33Å; A818-L820 PolarHBondContact O-N 2.88Å; L820-G823 PolarHBondContact O-N 3.41Å; L820-L824 HydrophobicContact CG-CD1 4.21Å; L820-L824 WeakPolarHBondContact O-CB 3.42Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.49Å; L820-L824 PolarHBondContact O-N 3.14Å; L820-T855 HydrophobicContact CD2-CG2 3.84Å
821	E	81.5	Confident	78.1	Confident	48 Å²	48	42.1 Å²	42.1	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-46.7	175	174.3	165.2	-163.4	0	0	111.9	M817 A818 G823 L824 K825 L858 H862	M817-E821 PolarHBondContact O-N 3.48Å; A818-E821 PolarHBondContact O-N 3.19Å; E821-G823 VanDerWaalsContact C-N 3.32Å; E821-G823 PolarHBondContact O-N 3.36Å; E821-L824 PolarHBondContact O-N 3.11Å; E821-K825 HydrophobicContact CG-CD 4.47Å; E821-K825 WeakPolarHBondContact O-CG 3.37Å; E821-K825 PolarHBondContact O-N 3.05Å; E821-K825 WeakPolarHBondContact OE1-CE 3.44Å; E821-K825 IonicContact OE1-NZ 3.73Å; E821-K825 PolarHBondContact OE1-NZ 3.36Å; E821-L858 HydrophobicContact CB-CD1 4.44Å; E821-L858 HydrophobicContact CB-CD2 4.22Å; E821-L858 HydrophobicContact CG-CD2 4.3Å; E821-H862 WeakPolarHBondContact CG-NE2 3.31Å; E821-H862 IonicContact OE1-CD2 2.82Å; E821-H862 IonicContact OE1-CE1 2.8Å; E821-H862 PolarHBondContact OE1-CE1 3.42Å; E821-H862 IonicContact OE1-NE2 3.62Å; E821-H862 PolarHBondContact OE1-NE2 3.32Å
822	E	80.4	Confident	78.7	Confident	82 Å²	82	44.7 Å²	44.7	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-42.5	176.5	-163.6	-167.6	153.8	0	0	111.6	A818 K825 K826	A818-E822 PolarHBondContact O-N 3.36Å; E822-K825 PolarHBondContact O-N 3.36Å; E822-K826 PolarHBondContact O-N 3.41Å; E822-K826 WeakPolarHBondContact OE1-CE 3.45Å; E822-K826 IonicContact OE1-NZ 2.84Å; E822-K826 PolarHBondContact OE1-NZ 2.96Å
823	G	81.1	Confident	79.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-41.3	175	0	0	0	0	0	113.5	V780 A819 L820 E821 K825 K826 I827	V780-G823 VanDerWaalsContact CG2-CA 3.46Å; A819-G823 PolarHBondContact O-N 3.23Å; L820-G823 PolarHBondContact O-N 3.41Å; E821-G823 VanDerWaalsContact C-N 3.32Å; E821-G823 PolarHBondContact O-N 3.36Å; G823-K825 PolarHBondContact O-N 3.19Å; G823-K826 PolarHBondContact O-N 3.22Å; G823-I827 WeakPolarHBondContact O-CG1 3.47Å; G823-I827 PolarHBondContact O-N 3.31Å
824	L	82.9	Confident	79.5	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-36.6	176.9	-72.6	169.5	0	0	0	112.3	L820 E821 I827 F828 L858 I859 H862 L863	L820-L824 HydrophobicContact CG-CD1 4.21Å; L820-L824 WeakPolarHBondContact O-CB 3.42Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.49Å; L820-L824 PolarHBondContact O-N 3.14Å; E821-L824 PolarHBondContact O-N 3.11Å; L824-I827 PolarHBondContact O-N 2.78Å; L824-F828 PolarHBondContact O-N 3.25Å; L824-L858 HydrophobicContact CD1-CB 4.1Å; L824-I859 HydrophobicContact CD1-CG1 3.97Å; L824-I859 HydrophobicContact CD2-CG1 4.25Å; L824-H862 HydrophobicContact CB-CB 4.38Å; L824-L863 HydrophobicContact CD2-CD1 3.88Å
825	K	83.3	Confident	79.9	Confident	97 Å²	97	58.7 Å²	58.7	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-45	172.9	-70.3	172.3	-176.5	173.1	0	111.8	E821 E822 G823 I827 F828 L829 H862	E821-K825 HydrophobicContact CG-CD 4.47Å; E821-K825 WeakPolarHBondContact O-CG 3.37Å; E821-K825 PolarHBondContact O-N 3.05Å; E821-K825 WeakPolarHBondContact OE1-CE 3.44Å; E821-K825 IonicContact OE1-NZ 3.73Å; E821-K825 PolarHBondContact OE1-NZ 3.36Å; E822-K825 PolarHBondContact O-N 3.36Å; G823-K825 PolarHBondContact O-N 3.19Å; K825-I827 PolarHBondContact O-N 3.01Å; K825-F828 WeakPolarHBondContact O-CB 3.31Å; K825-F828 PolarHBondContact O-N 3.03Å; K825-L829 PolarHBondContact O-N 3Å; K825-H862 VanDerWaalsContact CE-CE1 3.48Å; K825-H862 WeakPolarHBondContact CE-CE1 3.29Å
826	K	80.6	Confident	80.1	Confident	24 Å²	24	58 Å²	58	10%	0.104	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-38.6	176.4	-67.8	172	-172	171.6	0	112.2	L687 S689 G778 V780 E822 G823 L829 A830	L687-K826 HydrophobicContact CD1-CB 4.11Å; S689-K826 PolarHBondContact OG-NZ 2.85Å; S689-K826 VanDerWaalsContact OG-NZ 3.1Å; G778-K826 PolarHBondContact O-NZ 3.04Å; V780-K826 HydrophobicContact CG2-CB 4.12Å; V780-K826 HydrophobicContact CG2-CD 4.41Å; E822-K826 PolarHBondContact O-N 3.41Å; E822-K826 WeakPolarHBondContact OE1-CE 3.45Å; E822-K826 IonicContact OE1-NZ 2.84Å; E822-K826 PolarHBondContact OE1-NZ 2.96Å; G823-K826 PolarHBondContact O-N 3.22Å; K826-L829 PolarHBondContact O-N 2.78Å; K826-A830 PolarHBondContact O-N 3.1Å
827	I	83.3	Confident	80.3	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-40	175.2	-70.7	165.1	0	0	0	111.7	V737 V780 A799 I801 G823 L824 K825 L829 A830 A831 V838 L863	V737-I827 HydrophobicContact CG1-CD1 3.7Å; V737-I827 HydrophobicContact CG2-CD1 4Å; V737-I827 HydrophobicContact CG2-CG2 4.27Å; V780-I827 HydrophobicContact CG1-CD1 4.25Å; V780-I827 HydrophobicContact CG1-CG1 3.93Å; V780-I827 HydrophobicContact CG2-CG1 4.45Å; A799-I827 HydrophobicContact CB-CD1 4.3Å; A799-I827 HydrophobicContact CB-CG1 4.41Å; I801-I827 HydrophobicContact CD1-CD1 3.54Å; I801-I827 HydrophobicContact CG1-CD1 3.66Å; G823-I827 WeakPolarHBondContact O-CG1 3.47Å; G823-I827 PolarHBondContact O-N 3.31Å; L824-I827 PolarHBondContact O-N 2.78Å; K825-I827 PolarHBondContact O-N 3.01Å; I827-L829 VanDerWaalsContact C-N 3.34Å; I827-L829 PolarHBondContact O-N 3.37Å; I827-A830 PolarHBondContact O-N 3.13Å; I827-A831 VanDerWaalsContact O-CB 3.24Å; I827-A831 WeakPolarHBondContact O-CB 3.28Å; I827-A831 PolarHBondContact O-N 3.04Å; I827-V838 HydrophobicContact CG2-CG2 4.38Å; I827-L863 HydrophobicContact CG2-CD2 4.37Å
828	F	82.5	Confident	80.7	Confident	20 Å²	20	50.5 Å²	50.5	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-54.9	-48.1	175.9	169.8	-100.6	0	0	0	111.8	L824 K825 A831 K832 H862 L863 R866 I868	L824-F828 PolarHBondContact O-N 3.25Å; K825-F828 WeakPolarHBondContact O-CB 3.31Å; K825-F828 PolarHBondContact O-N 3.03Å; F828-A831 PolarHBondContact O-N 3.14Å; F828-K832 HydrophobicContact CE1-CD 4.35Å; F828-K832 HydrophobicContact CZ-CD 4.11Å; F828-K832 WeakPolarHBondContact O-CB 3.44Å; F828-K832 PolarHBondContact O-N 2.82Å; F828-H862 VanDerWaalsContact CD2-O 3.25Å; F828-H862 WeakPolarHBondContact CD2-O 3.47Å; F828-L863 HydrophobicContact CB-CD2 3.89Å; F828-L863 HydrophobicContact CD2-CD2 4.45Å; F828-R866 HydrophobicContact CD2-CB 4.03Å; F828-R866 HydrophobicContact CE2-CB 3.31Å; F828-R866 HydrophobicContact CE2-CG 4.14Å; F828-R866 HydrophobicContact CZ-CB 3.86Å; F828-R866 HydrophobicContact CZ-CG 4.4Å; F828-I868 HydrophobicContact CD2-CD1 3.36Å; F828-I868 HydrophobicContact CD2-CG1 4.02Å; F828-I868 HydrophobicContact CE2-CD1 3.69Å; F828-I868 HydrophobicContact CE2-CG1 4Å; F828-I868 HydrophobicContact CG-CD1 4.29Å
829	L	80.3	Confident	80.9	Confident	70 Å²	70	46.8 Å²	46.8	37%	0.366	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-44.8	178.8	-65.6	168.8	0	0	0	112.1	E690 K825 K826 I827 K832 K833	E690-L829 VanDerWaalsContact CD-CD1 3.49Å; E690-L829 HydrophobicContact CG-CD1 4.49Å; E690-L829 VanDerWaalsContact OE1-CD1 3.23Å; E690-L829 WeakPolarHBondContact OE1-CD1 3.44Å; E690-L829 WeakPolarHBondContact OE2-CD1 3.32Å; K825-L829 PolarHBondContact O-N 3Å; K826-L829 PolarHBondContact O-N 2.78Å; I827-L829 VanDerWaalsContact C-N 3.34Å; I827-L829 PolarHBondContact O-N 3.37Å; L829-K832 PolarHBondContact O-N 3.41Å; L829-K833 WeakPolarHBondContact O-CB 3.3Å; L829-K833 PolarHBondContact O-N 2.85Å
830	A	77.6	Confident	81.1	Confident	14 Å²	14	46.4 Å²	46.4	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-42.5	177.2	0	0	0	0	0	112.4	L687 L782 K826 I827 K833 K834	L687-A830 HydrophobicContact CD1-CB 4Å; L782-A830 HydrophobicContact CD2-CB 4.16Å; K826-A830 PolarHBondContact O-N 3.1Å; I827-A830 PolarHBondContact O-N 3.13Å; A830-K833 PolarHBondContact O-N 3.36Å; A830-K834 PolarHBondContact O-N 2.61Å; A830-K834 VanDerWaalsContact O-N 3.1Å
831	A	80.6	Confident	80.9	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-44.3	177.3	0	0	0	0	0	111.8	L735 I827 F828 K833 K834 K835 A836 V838 I868	L735-A831 HydrophobicContact CD1-CB 3.53Å; I827-A831 VanDerWaalsContact O-CB 3.24Å; I827-A831 WeakPolarHBondContact O-CB 3.28Å; I827-A831 PolarHBondContact O-N 3.04Å; F828-A831 PolarHBondContact O-N 3.14Å; A831-K833 PolarHBondContact O-N 3.2Å; A831-K834 PolarHBondContact O-N 2.83Å; A831-K835 WeakPolarHBondContact O-CA 3.46Å; A831-K835 PolarHBondContact O-N 3.3Å; A831-A836 PolarHBondContact O-N 3.46Å; A831-A836 VanDerWaalsContact O-N 3.08Å; A831-V838 HydrophobicContact CB-CG2 4.09Å; A831-I868 HydrophobicContact CB-CD1 3.66Å; A831-I868 HydrophobicContact CB-CG2 4.32Å
832	K	81.2	Confident	80.6	Confident	146 Å²	146	50.4 Å²	50.4	64%	0.635	23%	0.226	S	C	*	.	H	α-helix	trans	-61	-43.5	174.9	-171.2	180	-178.6	-176.1	0	111.8	F828 L829 K834 K835	F828-K832 HydrophobicContact CE1-CD 4.35Å; F828-K832 HydrophobicContact CZ-CD 4.11Å; F828-K832 WeakPolarHBondContact O-CB 3.44Å; F828-K832 PolarHBondContact O-N 2.82Å; L829-K832 PolarHBondContact O-N 3.41Å; K832-K834 VanDerWaalsContact C-N 3.34Å; K832-K834 PolarHBondContact O-N 2.86Å; K832-K835 PolarHBondContact O-N 3.19Å
833	K	80.6	Confident	80.1	Confident	193 Å²	193	47 Å²	47	84%	0.839	21%	0.211	S	C	*	.	H	α-helix	trans	-66.3	-32.4	179.2	-170.3	169.1	-174.4	168	0	113.2	L829 A830 A831	L829-K833 WeakPolarHBondContact O-CB 3.3Å; L829-K833 PolarHBondContact O-N 2.85Å; A830-K833 PolarHBondContact O-N 3.36Å; A831-K833 PolarHBondContact O-N 3.2Å
834	K	74.8	Confident	79.1	Confident	90 Å²	90	47.6 Å²	47.6	39%	0.391	22%	0.217	S	C	.	.	H	α-helix	trans	-97	-7	179.2	-69.7	-166.6	171.9	-161.3	0	115.2	L797 A830 A831 K832 A836	L797-K834 HydrophobicContact CD1-CD 3.58Å; A830-K834 PolarHBondContact O-N 2.61Å; A830-K834 VanDerWaalsContact O-N 3.1Å; A831-K834 PolarHBondContact O-N 2.83Å; K832-K834 VanDerWaalsContact C-N 3.34Å; K832-K834 PolarHBondContact O-N 2.86Å; K834-A836 HydrophobicContact CB-CB 4.15Å; K834-A836 PolarHBondContact O-N 3.17Å
835	K	77.9	Confident	77.8	Confident	180 Å²	180	53.7 Å²	53.7	78%	0.783	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.2	-168.2	-57.7	-174.8	178.1	-175.6	0	112.3	A831 K832	A831-K835 WeakPolarHBondContact O-CA 3.46Å; A831-K835 PolarHBondContact O-N 3.3Å; K832-K835 PolarHBondContact O-N 3.19Å
836	A	80.3	Confident	76.3	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.025	26%	0.264	C	S	.	.			trans	-98.1	146.7	-175.2	0	0	0	0	0	112.1	D733 L735 A831 K834	D733-A836 HydrophobicContact CB-CB 3.87Å; D733-A836 CarbonylContact O-C 3.47Å; D733-A836 VanDerWaalsContact O-CA 3.27Å; D733-A836 WeakPolarHBondContact O-CA 3.12Å; D733-A836 WeakPolarHBondContact O-CB 3.49Å; L735-A836 HydrophobicContact CD1-CB 3.7Å; L735-A836 HydrophobicContact CG-CB 3.95Å; A831-A836 PolarHBondContact O-N 3.46Å; A831-A836 VanDerWaalsContact O-N 3.08Å; K834-A836 HydrophobicContact CB-CB 4.15Å; K834-A836 PolarHBondContact O-N 3.17Å
837	S	83.1	Confident	75.3	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	146.3	172.6	54.7	0	0	0	0	111	A729 D733 L735	A729-S837 WeakPolarHBondContact CB-OG 3.39Å; D733-S837 PolarHBondContact O-N 3.2Å; D733-S837 PolarHBondContact O-OG 3.08Å; L735-S837 PolarHBondContact N-O 3.33Å
838	V	84.6	Confident	73.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.5	-175.1	178.9	0	0	0	0	110.9	L735 V737 I827 A831 L840 L863 I868 P869 T870 Y871	L735-V838 HydrophobicContact CB-CG2 4.35Å; L735-V838 HydrophobicContact CD1-CG2 4.43Å; V737-V838 HydrophobicContact CG2-CG1 3.77Å; I827-V838 HydrophobicContact CG2-CG2 4.38Å; A831-V838 HydrophobicContact CB-CG2 4.09Å; V838-L840 HydrophobicContact CG1-CD1 3.9Å; V838-L840 HydrophobicContact CG1-CG 4.21Å; V838-L863 HydrophobicContact CG1-CD1 4Å; V838-I868 HydrophobicContact CG2-CG2 3.81Å; V838-P869 PolarHBondContact N-O 3.38Å; V838-T870 HydrophobicContact CB-CG2 4.42Å; V838-T870 HydrophobicContact CG1-CG2 4.45Å; V838-T870 CarbonylContact O-C 3.3Å; V838-T870 WeakPolarHBondContact O-CA 3.29Å; V838-Y871 PolarHBondContact O-N 2.89Å
839	H	83.1	Confident	72.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.8	-176.2	-62.8	-100.8	0	0	0	110.3	V724 P727 Q728 L735 V737 Y871 Y873	V724-H839 HydrophobicContact CG1-CB 4.37Å; P727-H839 HydrophobicContact CB-CB 4.33Å; P727-H839 WeakPolarHBondContact CB-ND1 3.33Å; Q728-H839 PolarHBondContact N-NE2 3.29Å; L735-H839 PolarHBondContact O-N 2.92Å; V737-H839 PolarHBondContact N-O 3.26Å; H839-Y871 AromaticContact ND1-CD2 3.89Å; H839-Y871 AromaticContact NE2-CD2 3.25Å; H839-Y871 WeakPolarHBondContact NE2-CD2 3.34Å; H839-Y871 AromaticContact NE2-CE2 3.61Å; H839-Y871 AromaticContact NE2-CG 3.67Å; H839-Y873 HydrophobicContact CB-CE2 3.89Å; H839-Y873 AromaticContact CE1-CD2 3.78Å; H839-Y873 AromaticContact CE1-CE1 3.98Å; H839-Y873 AromaticContact CE1-CE2 2.44Å; H839-Y873 WeakPolarHBondContact CE1-CE2 3.43Å; H839-Y873 AromaticContact CE1-CZ 2.59Å; H839-Y873 PolarHBondContact CE1-OH 3.12Å; H839-Y873 AromaticContact ND1-CE2 3.34Å; H839-Y873 VanDerWaalsContact ND1-CE2 3.34Å; H839-Y873 WeakPolarHBondContact ND1-CE2 3.35Å; H839-Y873 AromaticContact ND1-CZ 3.6Å; H839-Y873 PolarHBondContact ND1-OH 3.06Å; H839-Y873 PolarHBondContact NE2-OH 3.14Å
840	L	81.6	Confident	71.5	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	-172.4	-76.8	145.1	0	0	0	111.3	V737 V838 I843 I859 L863 T870 Y871 I872 Y873	V737-L840 HydrophobicContact CB-CD2 3.59Å; V737-L840 HydrophobicContact CB-CG 4.07Å; V737-L840 HydrophobicContact CG1-CD2 3.64Å; V737-L840 HydrophobicContact CG2-CD2 4.45Å; V838-L840 HydrophobicContact CG1-CD1 3.9Å; V838-L840 HydrophobicContact CG1-CG 4.21Å; L840-I843 HydrophobicContact CD2-CD1 3.76Å; L840-I859 HydrophobicContact CD1-CD1 4.23Å; L840-I859 HydrophobicContact CD1-CG1 4.46Å; L840-I859 HydrophobicContact CD1-CG2 3.98Å; L840-L863 HydrophobicContact CD1-CD1 4.49Å; L840-T870 HydrophobicContact CD1-CG2 3.87Å; L840-Y871 PolarHBondContact N-O 3.24Å; L840-I872 WeakPolarHBondContact O-CA 3.23Å; L840-Y873 PolarHBondContact O-N 3.43Å
841	P	78.6	Confident	71	Confident	19 Å²	19	70.6 Å²	70.6	12%	0.123	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	164.9	161	31.5	-31.6	0	0	0	110.2	V724 V737 L751 I843	V724-P841 HydrophobicContact CG2-CB 3.81Å; V737-P841 WeakPolarHBondContact O-CD 3.45Å; L751-P841 HydrophobicContact CD2-CG 4.38Å; P841-I843 VanDerWaalsContact C-N 3.27Å; P841-I843 HydrophobicContact CG-CG1 4.44Å; P841-I843 PolarHBondContact O-N 2.95Å
842	R	74	Confident	70.7	Confident	112 Å²	112	72 Å²	72	42%	0.423	37%	0.371	S	S	.	.			trans	-67.8	85.3	164.7	-162.6	175.4	-173.6	-172.1	6.5	111.2	H845 W852 Y873	R842-H845 HydrophobicContact CG-CB 4.37Å; R842-W852 HydrophobicContact CB-CH2 4.39Å; R842-W852 HydrophobicContact CB-CZ3 4.33Å; R842-W852 HydrophobicContact CG-CD2 3.83Å; R842-W852 HydrophobicContact CG-CE3 3.65Å; R842-W852 HydrophobicContact CG-CH2 3.9Å; R842-W852 HydrophobicContact CG-CZ2 4.04Å; R842-W852 HydrophobicContact CG-CZ3 3.72Å; R842-Y873 PolarHBondContact N-O 2.89Å
843	I	70.8	Confident	69.9	Low	11 Å²	11	72 Å²	72	6%	0.056	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	142.7	177.4	-64.4	163	0	0	0	110.7	I815 L840 P841 H845 F850 W852	I815-I843 HydrophobicContact CD1-CG2 3.47Å; I815-I843 VanDerWaalsContact CD1-CG2 3.47Å; L840-I843 HydrophobicContact CD2-CD1 3.76Å; P841-I843 VanDerWaalsContact C-N 3.27Å; P841-I843 HydrophobicContact CG-CG1 4.44Å; P841-I843 PolarHBondContact O-N 2.95Å; I843-H845 PolarHBondContact O-N 3.4Å; I843-F850 HydrophobicContact CG2-CZ 4.02Å; I843-F850 WeakPolarHBondContact O-CE1 3.47Å; I843-W852 HydrophobicContact CB-CZ3 4.19Å
844	G	58.6	Low	69.3	Low	13 Å²	13	63.9 Å²	63.9	13%	0.134	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	-0.6	169.5	0	0	0	0	0	117.2	A846 T847	G844-A846 PolarHBondContact O-N 2.89Å; G844-T847 WeakPolarHBondContact O-CB 3.25Å; G844-T847 PolarHBondContact O-N 2.96Å; G844-T847 PolarHBondContact O-OG1 3.41Å
845	H	56.3	Low	69.3	Low	129 Å²	129	59.6 Å²	59.6	60%	0.597	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.4	-178.8	-175.7	-83.5	0	0	0	115.2	R842 I843	R842-H845 HydrophobicContact CG-CB 4.37Å; I843-H845 PolarHBondContact O-N 3.4Å
846	A	52.8	Low	69.1	Low	101 Å²	101	52.3 Å²	52.3	84%	0.835	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.8	176.2	0	0	0	0	0	113.9	G844	G844-A846 PolarHBondContact O-N 2.89Å
847	T	58.1	Low	68.7	Low	53 Å²	53	60.7 Å²	60.7	33%	0.325	32%	0.32	S	S	.	.	S	Bend	trans	-98.4	121.1	-173.1	-46.3	0	0	0	0	109.8	G844 G849 F850	G844-T847 WeakPolarHBondContact O-CB 3.25Å; G844-T847 PolarHBondContact O-N 2.96Å; G844-T847 PolarHBondContact O-OG1 3.41Å; T847-G849 PolarHBondContact O-N 3.28Å; T847-F850 HydrophobicContact CG2-CB 4.49Å; T847-F850 WeakPolarHBondContact O-CB 3.48Å; T847-F850 PolarHBondContact O-N 3.4Å
848	K	47.1	Very low	68.4	Low	211 Å²	211	61.9 Å²	61.9	92%	0.917	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	133.4	176.1	-69.8	-176.2	175.9	-175.8	0	110.1
849	G	54.3	Low	68.2	Low	91 Å²	91	62 Å²	62	94%	0.938	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	15	179.3	0	0	0	0	0	115.4	T847	T847-G849 PolarHBondContact O-N 3.28Å
850	F	65.9	Low	67.8	Low	37 Å²	37	68.1 Å²	68.1	16%	0.162	35%	0.351	C	S	.	.			trans	-86.4	119.9	-179.6	179.1	-97.8	0	0	0	113.1	I815 M817 I843 T847 W852 T855	I815-F850 HydrophobicContact CB-CD2 4.3Å; I815-F850 HydrophobicContact CB-CE2 3.85Å; I815-F850 HydrophobicContact CD1-CD2 4.2Å; I815-F850 HydrophobicContact CD1-CE2 3.7Å; I815-F850 HydrophobicContact CD1-CZ 4.15Å; I815-F850 HydrophobicContact CG1-CD2 4.49Å; I815-F850 HydrophobicContact CG1-CE2 4.19Å; I815-F850 HydrophobicContact CG2-CE2 4.3Å; M817-F850 HydrophobicContact CE-CE2 3.68Å; M817-F850 HydrophobicContact CE-CZ 4.37Å; I843-F850 HydrophobicContact CG2-CZ 4.02Å; I843-F850 WeakPolarHBondContact O-CE1 3.47Å; T847-F850 HydrophobicContact CG2-CB 4.49Å; T847-F850 WeakPolarHBondContact O-CB 3.48Å; T847-F850 PolarHBondContact O-N 3.4Å; F850-W852 HydrophobicContact CE1-CB 4.41Å; F850-W852 HydrophobicContact CE1-CE3 4.29Å; F850-W852 PolarHBondContact O-N 2.88Å; F850-W852 VanDerWaalsContact O-N 3.12Å; F850-T855 HydrophobicContact CZ-CG2 4.26Å; F850-T855 WeakPolarHBondContact CZ-OG1 3.46Å
851	N	66.8	Low	67.6	Low	90 Å²	90	74 Å²	74	48%	0.481	38%	0.376	S	S	.	.			trans	-79.4	91.6	177.4	-170.7	-16.6	0	0	0	111.7	Y853 G854 T855	N851-Y853 VanDerWaalsContact C-N 3.29Å; N851-Y853 PolarHBondContact O-N 3.27Å; N851-Y853 WeakPolarHBondContact OD1-CB 3.48Å; N851-Y853 PolarHBondContact OD1-N 3.5Å; N851-G854 PolarHBondContact OD1-N 2.89Å; N851-T855 PolarHBondContact O-N 3.4Å; N851-T855 PolarHBondContact O-OG1 3.37Å
852	W	73.4	Confident	67.6	Low	30 Å²	30	73.4 Å²	73.4	11%	0.114	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-36.1	172.8	172.3	-98.5	0	0	0	112.6	R842 I843 F850 T855 E856 I872	R842-W852 HydrophobicContact CB-CH2 4.39Å; R842-W852 HydrophobicContact CB-CZ3 4.33Å; R842-W852 HydrophobicContact CG-CD2 3.83Å; R842-W852 HydrophobicContact CG-CE3 3.65Å; R842-W852 HydrophobicContact CG-CH2 3.9Å; R842-W852 HydrophobicContact CG-CZ2 4.04Å; R842-W852 HydrophobicContact CG-CZ3 3.72Å; I843-W852 HydrophobicContact CB-CZ3 4.19Å; F850-W852 HydrophobicContact CE1-CB 4.41Å; F850-W852 HydrophobicContact CE1-CE3 4.29Å; F850-W852 PolarHBondContact O-N 2.88Å; F850-W852 VanDerWaalsContact O-N 3.12Å; W852-T855 HydrophobicContact CZ3-CG2 4.36Å; W852-T855 WeakPolarHBondContact O-CB 3.5Å; W852-T855 PolarHBondContact O-N 3.16Å; W852-E856 PolarHBondContact NE1-OE2 2.85Å; W852-E856 PolarHBondContact O-N 3.38Å; W852-I872 HydrophobicContact CH2-CD1 4.26Å; W852-I872 HydrophobicContact CH2-CG2 3.94Å; W852-I872 HydrophobicContact CZ2-CD1 4.03Å; W852-I872 HydrophobicContact CZ2-CG2 3.96Å
853	Y	65.4	Low	67.8	Low	146 Å²	146	68 Å²	68	57%	0.573	35%	0.351	S	S	*	.	H	α-helix	trans	-66.9	-43	-176.3	-176.1	-100.8	0	0	0	112.1	N851 T855 E856 R857	N851-Y853 VanDerWaalsContact C-N 3.29Å; N851-Y853 PolarHBondContact O-N 3.27Å; N851-Y853 WeakPolarHBondContact OD1-CB 3.48Å; N851-Y853 PolarHBondContact OD1-N 3.5Å; Y853-T855 VanDerWaalsContact C-N 3.31Å; Y853-T855 PolarHBondContact O-N 3.33Å; Y853-E856 PolarHBondContact O-N 3.49Å; Y853-R857 WeakPolarHBondContact O-CB 3.4Å; Y853-R857 PolarHBondContact O-N 3.41Å
854	G	67.6	Low	67.9	Low	23 Å²	23	67.7 Å²	67.7	24%	0.237	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-39.4	171.6	0	0	0	0	0	112.6	N851 R857 L858	N851-G854 PolarHBondContact OD1-N 2.89Å; G854-R857 PolarHBondContact O-N 2.7Å; G854-L858 PolarHBondContact O-N 2.89Å
855	T	74.2	Confident	68.6	Low	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-44.3	175.1	-62.9	0	0	0	0	112.1	L820 F850 N851 W852 Y853 R857 L858 I859	L820-T855 HydrophobicContact CD2-CG2 3.84Å; F850-T855 HydrophobicContact CZ-CG2 4.26Å; F850-T855 WeakPolarHBondContact CZ-OG1 3.46Å; N851-T855 PolarHBondContact O-N 3.4Å; N851-T855 PolarHBondContact O-OG1 3.37Å; W852-T855 HydrophobicContact CZ3-CG2 4.36Å; W852-T855 WeakPolarHBondContact O-CB 3.5Å; W852-T855 PolarHBondContact O-N 3.16Å; Y853-T855 VanDerWaalsContact C-N 3.31Å; Y853-T855 PolarHBondContact O-N 3.33Å; T855-R857 VanDerWaalsContact C-N 3.32Å; T855-R857 PolarHBondContact O-N 2.98Å; T855-L858 PolarHBondContact O-N 3.16Å; T855-I859 HydrophobicContact CG2-CD1 3.86Å; T855-I859 WeakPolarHBondContact O-CG1 3.42Å; T855-I859 PolarHBondContact O-N 2.8Å
856	E	74.1	Confident	69.4	Low	27 Å²	27	71 Å²	71	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-62	-39.8	175.2	-173.2	-176.4	161.3	0	0	111.6	L717 Y719 W852 Y853 L858 I859 R860	L717-E856 HydrophobicContact CD1-CG 3.94Å; Y719-E856 PolarHBondContact OH-OE1 3.44Å; Y719-E856 PolarHBondContact OH-OE2 2.77Å; W852-E856 PolarHBondContact NE1-OE2 2.85Å; W852-E856 PolarHBondContact O-N 3.38Å; Y853-E856 PolarHBondContact O-N 3.49Å; E856-L858 PolarHBondContact O-N 3.44Å; E856-I859 PolarHBondContact O-N 3.27Å; E856-R860 VanDerWaalsContact O-CB 3.29Å; E856-R860 WeakPolarHBondContact O-CB 3.44Å; E856-R860 PolarHBondContact O-N 3.03Å; E856-R860 IonicContact OE1-CZ 3.46Å; E856-R860 IonicContact OE1-NH2 3.91Å; E856-R860 PolarHBondContact OE1-NH2 3.43Å
857	R	72.4	Confident	70.2	Confident	179 Å²	179	68.6 Å²	68.6	68%	0.675	35%	0.353	S	S	*	.	H	α-helix	trans	-61.8	-41.4	175.4	-171	176.6	179.3	-174.3	-1.6	111.7	Y853 G854 T855 R860 K861	Y853-R857 WeakPolarHBondContact O-CB 3.4Å; Y853-R857 PolarHBondContact O-N 3.41Å; G854-R857 PolarHBondContact O-N 2.7Å; T855-R857 VanDerWaalsContact C-N 3.32Å; T855-R857 PolarHBondContact O-N 2.98Å; R857-R860 PolarHBondContact O-N 3.09Å; R857-K861 VanDerWaalsContact O-CB 3.26Å; R857-K861 WeakPolarHBondContact O-CB 3.21Å; R857-K861 PolarHBondContact O-N 2.9Å
858	L	76.1	Confident	71.2	Confident	27 Å²	27	66.7 Å²	66.7	14%	0.141	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-45.5	174.7	-72.8	172.9	0	0	0	112.3	M817 E821 L824 G854 T855 E856 R860 K861 H862	M817-L858 HydrophobicContact SD-CD1 4.37Å; E821-L858 HydrophobicContact CB-CD1 4.44Å; E821-L858 HydrophobicContact CB-CD2 4.22Å; E821-L858 HydrophobicContact CG-CD2 4.3Å; L824-L858 HydrophobicContact CD1-CB 4.1Å; G854-L858 PolarHBondContact O-N 2.89Å; T855-L858 PolarHBondContact O-N 3.16Å; E856-L858 PolarHBondContact O-N 3.44Å; L858-R860 VanDerWaalsContact C-N 3.32Å; L858-R860 PolarHBondContact O-N 2.86Å; L858-K861 PolarHBondContact O-N 3.13Å; L858-H862 PolarHBondContact O-CD2 3.26Å; L858-H862 PolarHBondContact O-N 3.07Å
859	I	79.9	Confident	72.7	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-44	175.1	-68	163.6	0	0	0	110.2	L717 L824 L840 T855 E856 L863 A864 T870	L717-I859 HydrophobicContact CD2-CG2 3.96Å; L824-I859 HydrophobicContact CD1-CG1 3.97Å; L824-I859 HydrophobicContact CD2-CG1 4.25Å; L840-I859 HydrophobicContact CD1-CD1 4.23Å; L840-I859 HydrophobicContact CD1-CG1 4.46Å; L840-I859 HydrophobicContact CD1-CG2 3.98Å; T855-I859 HydrophobicContact CG2-CD1 3.86Å; T855-I859 WeakPolarHBondContact O-CG1 3.42Å; T855-I859 PolarHBondContact O-N 2.8Å; E856-I859 PolarHBondContact O-N 3.27Å; I859-L863 HydrophobicContact CG2-CD1 4.34Å; I859-L863 WeakPolarHBondContact O-CB 3.48Å; I859-L863 PolarHBondContact O-N 3.39Å; I859-A864 PolarHBondContact O-N 3.47Å; I859-T870 HydrophobicContact CG2-CG2 3.94Å
860	R	74.7	Confident	74	Confident	129 Å²	129	54.7 Å²	54.7	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-44.5	177.9	-163.8	-179.7	-64.6	-136.8	2	112	L717 E856 R857 L858 A865	L717-R860 HydrophobicContact CD1-CB 3.95Å; L717-R860 HydrophobicContact CD1-CG 4.16Å; E856-R860 VanDerWaalsContact O-CB 3.29Å; E856-R860 WeakPolarHBondContact O-CB 3.44Å; E856-R860 PolarHBondContact O-N 3.03Å; E856-R860 IonicContact OE1-CZ 3.46Å; E856-R860 IonicContact OE1-NH2 3.91Å; E856-R860 PolarHBondContact OE1-NH2 3.43Å; R857-R860 PolarHBondContact O-N 3.09Å; L858-R860 VanDerWaalsContact C-N 3.32Å; L858-R860 PolarHBondContact O-N 2.86Å; R860-A865 WeakPolarHBondContact O-CB 3.37Å; R860-A865 PolarHBondContact O-N 3.11Å
861	K	77.7	Confident	74.9	Confident	124 Å²	124	55.4 Å²	55.4	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-43.3	180	-176.5	-178.1	-179.9	-174.3	0	112.7	R857 L858	R857-K861 VanDerWaalsContact O-CB 3.26Å; R857-K861 WeakPolarHBondContact O-CB 3.21Å; R857-K861 PolarHBondContact O-N 2.9Å; L858-K861 PolarHBondContact O-N 3.13Å
862	H	78.9	Confident	75.6	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-99.5	-18.4	-170.3	-67.6	-58.5	0	0	0	115.1	E821 L824 K825 F828 L858	E821-H862 WeakPolarHBondContact CG-NE2 3.31Å; E821-H862 IonicContact OE1-CD2 2.82Å; E821-H862 IonicContact OE1-CE1 2.8Å; E821-H862 PolarHBondContact OE1-CE1 3.42Å; E821-H862 IonicContact OE1-NE2 3.62Å; E821-H862 PolarHBondContact OE1-NE2 3.32Å; L824-H862 HydrophobicContact CB-CB 4.38Å; K825-H862 VanDerWaalsContact CE-CE1 3.48Å; K825-H862 WeakPolarHBondContact CE-CE1 3.29Å; F828-H862 VanDerWaalsContact CD2-O 3.25Å; F828-H862 WeakPolarHBondContact CD2-O 3.47Å; L858-H862 PolarHBondContact O-CD2 3.26Å; L858-H862 PolarHBondContact O-N 3.07Å
863	L	78.8	Confident	75.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-67.1	178.6	-60.4	172.5	0	0	0	112.5	L824 I827 F828 V838 L840 I859 R866 G867 I868 T870	L824-L863 HydrophobicContact CD2-CD1 3.88Å; I827-L863 HydrophobicContact CG2-CD2 4.37Å; F828-L863 HydrophobicContact CB-CD2 3.89Å; F828-L863 HydrophobicContact CD2-CD2 4.45Å; V838-L863 HydrophobicContact CG1-CD1 4Å; L840-L863 HydrophobicContact CD1-CD1 4.49Å; I859-L863 HydrophobicContact CG2-CD1 4.34Å; I859-L863 WeakPolarHBondContact O-CB 3.48Å; I859-L863 PolarHBondContact O-N 3.39Å; L863-R866 CarbonylContact O-C 3.58Å; L863-R866 PolarHBondContact O-N 3.36Å; L863-R866 VanDerWaalsContact O-N 3.15Å; L863-G867 PolarHBondContact O-N 2.95Å; L863-I868 HydrophobicContact CD2-CD1 4.45Å; L863-I868 PolarHBondContact O-N 2.92Å; L863-T870 HydrophobicContact CD1-CG2 4.43Å
864	A	72.8	Confident	76.2	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.025	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-66.5	-44.9	-169.1	0	0	0	0	0	113.3	L717 I859 R866 G867	L717-A864 HydrophobicContact CD2-CB 4.07Å; L717-A864 HydrophobicContact CG-CB 3.98Å; I859-A864 PolarHBondContact O-N 3.47Å; A864-R866 PolarHBondContact O-N 3.02Å; A864-G867 PolarHBondContact O-N 2.9Å
865	A	72.8	Confident	75.8	Confident	73 Å²	73	54 Å²	54	60%	0.603	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15	177.2	0	0	0	0	0	113.5	R860	R860-A865 WeakPolarHBondContact O-CB 3.37Å; R860-A865 PolarHBondContact O-N 3.11Å
866	R	74.5	Confident	74.2	Confident	139 Å²	139	58.4 Å²	58.4	53%	0.525	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-99.9	15.2	175.1	-60.8	-174.9	170.6	-160.6	-9.7	112.8	F828 L863 A864	F828-R866 HydrophobicContact CD2-CB 4.03Å; F828-R866 HydrophobicContact CE2-CB 3.31Å; F828-R866 HydrophobicContact CE2-CG 4.14Å; F828-R866 HydrophobicContact CZ-CB 3.86Å; F828-R866 HydrophobicContact CZ-CG 4.4Å; L863-R866 CarbonylContact O-C 3.58Å; L863-R866 PolarHBondContact O-N 3.36Å; L863-R866 VanDerWaalsContact O-N 3.15Å; A864-R866 PolarHBondContact O-N 3.02Å
867	G	69.5	Low	72.5	Confident	50 Å²	50	68 Å²	68	52%	0.515	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	15.6	170.9	0	0	0	0	0	116.2	L863 A864	L863-G867 PolarHBondContact O-N 2.95Å; A864-G867 PolarHBondContact O-N 2.9Å
868	I	78.2	Confident	70.7	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.072	31%	0.314	C	S	.	.			trans	-93.2	122.8	177.4	-58	-163.7	0	0	0	110.8	F828 A831 V838 L863 T870	F828-I868 HydrophobicContact CD2-CD1 3.36Å; F828-I868 HydrophobicContact CD2-CG1 4.02Å; F828-I868 HydrophobicContact CE2-CD1 3.69Å; F828-I868 HydrophobicContact CE2-CG1 4Å; F828-I868 HydrophobicContact CG-CD1 4.29Å; A831-I868 HydrophobicContact CB-CD1 3.66Å; A831-I868 HydrophobicContact CB-CG2 4.32Å; V838-I868 HydrophobicContact CG2-CG2 3.81Å; L863-I868 HydrophobicContact CD2-CD1 4.45Å; L863-I868 PolarHBondContact O-N 2.92Å; I868-T870 PolarHBondContact O-N 2.96Å; I868-T870 VanDerWaalsContact O-N 3.08Å; I868-T870 PolarHBondContact O-OG1 3.36Å
869	P	78.9	Confident	68.6	Low	47 Å²	47	71.7 Å²	71.7	31%	0.305	35%	0.349	S	S	.	.			trans	-63.5	114.4	178	25.3	-32.4	0	0	0	110.1	V838 Y871	V838-P869 PolarHBondContact N-O 3.38Å; P869-Y871 HydrophobicContact CB-CE2 4.21Å
870	T	81.9	Confident	66.2	Low	2 Å²	2	75.1 Å²	75.1	1%	0.012	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.4	-169.5	-56.2	0	0	0	0	110.6	L717 K718 V838 L840 I859 L863 I868	L717-T870 HydrophobicContact CD2-CG2 3.59Å; K718-T870 PolarHBondContact N-O 3.09Å; K718-T870 VanDerWaalsContact N-O 3.1Å; V838-T870 HydrophobicContact CB-CG2 4.42Å; V838-T870 HydrophobicContact CG1-CG2 4.45Å; V838-T870 CarbonylContact O-C 3.3Å; V838-T870 WeakPolarHBondContact O-CA 3.29Å; L840-T870 HydrophobicContact CD1-CG2 3.87Å; I859-T870 HydrophobicContact CG2-CG2 3.94Å; L863-T870 HydrophobicContact CD1-CG2 4.43Å; I868-T870 PolarHBondContact O-N 2.96Å; I868-T870 VanDerWaalsContact O-N 3.08Å; I868-T870 PolarHBondContact O-OG1 3.36Å
871	Y	83.1	Confident	64.1	Low	52 Å²	52	72 Å²	72	20%	0.204	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.7	-174.8	-61.4	-86.3	0	0	0	111.5	K718 V720 V838 H839 L840 P869	K718-Y871 HydrophobicContact CB-CD1 3.58Å; K718-Y871 HydrophobicContact CB-CE1 3.76Å; K718-Y871 HydrophobicContact CD-CD1 4.44Å; K718-Y871 HydrophobicContact CD-CE1 3.73Å; K718-Y871 HydrophobicContact CG-CE1 4.32Å; K718-Y871 CarbonylContact O-C 3.52Å; K718-Y871 VanDerWaalsContact O-CA 3.29Å; K718-Y871 WeakPolarHBondContact O-CA 3.17Å; V720-Y871 HydrophobicContact CG2-CD1 3.89Å; V838-Y871 PolarHBondContact O-N 2.89Å; H839-Y871 AromaticContact ND1-CD2 3.89Å; H839-Y871 AromaticContact NE2-CD2 3.25Å; H839-Y871 WeakPolarHBondContact NE2-CD2 3.34Å; H839-Y871 AromaticContact NE2-CE2 3.61Å; H839-Y871 AromaticContact NE2-CG 3.67Å; L840-Y871 PolarHBondContact N-O 3.24Å; P869-Y871 HydrophobicContact CB-CE2 4.21Å
872	I	82.3	Confident	62	Low	2 Å²	2	70.7 Å²	70.7	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.7	178.1	-58.9	178.9	0	0	0	109.8	L717 K718 Y719 V720 L840 W852	L717-I872 HydrophobicContact CD1-CD1 4.41Å; L717-I872 HydrophobicContact CD2-CD1 4.05Å; L717-I872 HydrophobicContact CD2-CG1 4.43Å; K718-I872 PolarHBondContact O-N 2.79Å; Y719-I872 WeakPolarHBondContact CA-O 3.4Å; Y719-I872 HydrophobicContact CD1-CB 3.86Å; Y719-I872 HydrophobicContact CD1-CG2 3.95Å; Y719-I872 HydrophobicContact CE1-CB 3.79Å; Y719-I872 HydrophobicContact CE1-CD1 4.05Å; Y719-I872 HydrophobicContact CE1-CG1 4.49Å; Y719-I872 HydrophobicContact CE1-CG2 3.68Å; V720-I872 PolarHBondContact N-O 2.98Å; L840-I872 WeakPolarHBondContact O-CA 3.23Å; W852-I872 HydrophobicContact CH2-CD1 4.26Å; W852-I872 HydrophobicContact CH2-CG2 3.94Å; W852-I872 HydrophobicContact CZ2-CD1 4.03Å; W852-I872 HydrophobicContact CZ2-CG2 3.96Å
873	Y	78.3	Confident	59.7	Low	6 Å²	6	76.6 Å²	76.6	2%	0.024	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.2	-174.4	-72.5	-104.2	0	0	0	112.7	V720 V724 Q728 H839 L840 R842	V720-Y873 HydrophobicContact CB-CD1 4.23Å; V720-Y873 HydrophobicContact CB-CE1 4.13Å; V720-Y873 HydrophobicContact CG1-CD1 4.24Å; V720-Y873 HydrophobicContact CG1-CE1 3.88Å; V720-Y873 VanDerWaalsContact O-CA 3.29Å; V720-Y873 WeakPolarHBondContact O-CA 3.4Å; V724-Y873 HydrophobicContact CB-CD2 4.44Å; V724-Y873 HydrophobicContact CB-CG 4.28Å; V724-Y873 HydrophobicContact CG1-CD2 3.82Å; V724-Y873 HydrophobicContact CG1-CE2 4.35Å; V724-Y873 HydrophobicContact CG1-CG 4.15Å; V724-Y873 HydrophobicContact CG2-CD2 4.47Å; V724-Y873 HydrophobicContact CG2-CG 4Å; Q728-Y873 PolarHBondContact N-OH 3.39Å; Q728-Y873 VanDerWaalsContact N-OH 3.17Å; H839-Y873 HydrophobicContact CB-CE2 3.89Å; H839-Y873 AromaticContact CE1-CD2 3.78Å; H839-Y873 AromaticContact CE1-CE1 3.98Å; H839-Y873 AromaticContact CE1-CE2 2.44Å; H839-Y873 WeakPolarHBondContact CE1-CE2 3.43Å; H839-Y873 AromaticContact CE1-CZ 2.59Å; H839-Y873 PolarHBondContact CE1-OH 3.12Å; H839-Y873 AromaticContact ND1-CE2 3.34Å; H839-Y873 VanDerWaalsContact ND1-CE2 3.34Å; H839-Y873 WeakPolarHBondContact ND1-CE2 3.35Å; H839-Y873 AromaticContact ND1-CZ 3.6Å; H839-Y873 PolarHBondContact ND1-OH 3.06Å; H839-Y873 PolarHBondContact NE2-OH 3.14Å; L840-Y873 PolarHBondContact O-N 3.43Å; R842-Y873 PolarHBondContact N-O 2.89Å
874	Y	72.9	Confident	57.4	Low	112 Å²	112	84.2 Å²	84.2	44%	0.439	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.7	173.9	66.2	-82.4	0	0	0	112.2	V720 S721 G722	V720-Y874 WeakPolarHBondContact O-CD1 3.31Å; V720-Y874 WeakPolarHBondContact O-CE1 3.49Å; V720-Y874 PolarHBondContact O-N 3.22Å; S721-Y874 WeakPolarHBondContact CA-O 3.43Å; G722-Y874 PolarHBondContact N-O 3.02Å
875	F	59.3	Low	55.4	Low	140 Å²	140	88 Å²	88	61%	0.614	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-97.9	121.2	175.5	-91.3	-87.3	0	0	0	110.6	D723 R877	D723-F875 HydrophobicContact CB-CE2 4.38Å; D723-F875 HydrophobicContact CB-CZ 3.79Å; F875-R877 PolarHBondContact O-N 2.89Å
876	P	41.5	Very low	53.5	Low	92 Å²	92	91.5 Å²	91.5	60%	0.597	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.3	128.7	165.9	-15.3	29.5	0	0	0	109.6	S878	P876-S878 PolarHBondContact O-N 2.86Å
877	R	37	Very low	51.4	Low	228 Å²	228	88.8 Å²	88.8	86%	0.86	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-71.4	118.4	170.1	-79.6	-173.7	172.9	-175.5	-1.5	109.4	F875	F875-R877 PolarHBondContact O-N 2.89Å
878	S	35.3	Very low	49.6	Very low	84 Å²	84	91.1 Å²	91.1	59%	0.587	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-66.5	148.9	166.7	69.1	0	0	0	0	110.3	P876 S880	P876-S878 PolarHBondContact O-N 2.86Å; S878-S880 PolarHBondContact O-N 3.28Å; S878-S880 PolarHBondContact OG-OG 3.24Å
879	K	32.3	Very low	47.4	Very low	200 Å²	200	95.5 Å²	95.5	87%	0.87	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-64.1	-7.9	-173.1	-71.2	176.6	175.5	174.1	0	114.7
880	S	29.7	Very low	45.3	Very low	74 Å²	74	98.2 Å²	98.2	52%	0.517	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-73.7	-27.8	-174.6	58.4	0	0	0	0	114.5	S878 V882 L883	S878-S880 PolarHBondContact O-N 3.28Å; S878-S880 PolarHBondContact OG-OG 3.24Å; S880-V882 PolarHBondContact O-N 3.42Å; S880-L883 PolarHBondContact O-N 3.22Å
881	A	30.9	Very low	42.8	Very low	64 Å²	64	103.7 Å²	103.7	53%	0.529	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-68.5	-16.8	-174.2	0	0	0	0	0	114.6
882	V	32.4	Very low	40.4	Very low	97 Å²	97	106.9 Å²	106.9	59%	0.588	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-76.5	-24.3	179.2	-178.9	0	0	0	0	112.1	S880 S885	S880-V882 PolarHBondContact O-N 3.42Å; V882-S885 PolarHBondContact O-OG 3.47Å
883	L	31.3	Very low	37.9	Very low	130 Å²	130	117.8 Å²	117.8	68%	0.681	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-22.5	-176.6	-77	160	0	0	0	113.9	S880	S880-L883 PolarHBondContact O-N 3.22Å
884	H	30.7	Very low	35.6	Very low	159 Å²	159	126.2 Å²	126.2	74%	0.736	69%	0.685	S	S	*	*	S	Bend	trans	-91.5	-10	178.9	-82.5	-31.4	0	0	0	114.9
885	S	31.6	Very low	33.4	Very low	83 Å²	83	129 Å²	129	58%	0.58	71%	0.707	S	S	*	*	S	Bend	trans	-88	-6.7	174.1	56.5	0	0	0	0	114.2	V882	V882-S885 PolarHBondContact O-OG 3.47Å
886	Q	31.9	Very low	31.9	Very low	146 Å²	146	128.4 Å²	128.4	68%	0.682	71%	0.714	S	S	*	*	S	Bend	trans	-100.9	-7.1	179.7	-69.4	-167.9	-20.3	0	0	114.2
887	S	30.6	Very low	32.1	Very low	82 Å²	82	133.3 Å²	133.3	57%	0.573	75%	0.747	S	S	*	*	S	Bend	trans	-100.8	11.6	-173.7	65.9	0	0	0	0	115.1
888	S	31.9	Very low	31.9	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	74%	0.741	S	S	*	*	S	Bend	trans	-122.5	10.7	-171.4	56.4	0	0	0	0	115.4
889	S	32.5	Very low	31.7	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	75%	0.749	S	S	*	*	S	Bend	trans	-119.5	17.6	-174.8	56.1	0	0	0	0	115.3
890	S	33.2	Very low	31.7	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	74%	0.742	S	S	*	*	S	Bend	trans	-132.2	41	-171.1	56	0	0	0	0	115.9
891	S	31.1	Very low	31.8	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	76%	0.756	S	S	*	*			trans	-153.2	72.6	171.8	51.2	0	0	0	0	115.4
892	S	31	Very low	31.9	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	77%	0.77	S	S	*	*			trans	-164.1	72.5	163.6	44.8	0	0	0	0	114.6
893	R	30.8	Very low	31.8	Very low	232 Å²	232	136.9 Å²	136.9	88%	0.875	78%	0.782	S	S	*	*			trans	-138.3	106.8	158	-81	-165.1	175.5	178	-1.6	113.2
894	Q	30.6	Very low	31.9	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	79%	0.789	S	S	*	*			trans	56.4	108.1	139.1	-68.2	175.4	-49.2	0	0	121.8
895	L	26.9	Very low	32	Very low	172 Å²	172	135.7 Å²	135.7	90%	0.901	79%	0.793	S	S	*	*			trans	-158.7	140	155.1	-79.9	-179.2	0	0	0	104
896	V	27.1	Very low	32	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	81%	0.811	S	S	*	*			cis	-151.6	157.3	2.9	-176	0	0	0	0	105.7
897	P	46.4	Very low	32	Very low	196 Å²	196	139.5 Å²	139.5	100%	1.273	82%	0.822	S	S	*	*			cis	-114.3	0	-1.7	16.1	7.6	0	0	0	115.6

Retrieved 897 of 897 residues in 393.5 ms (Link to these results)

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