A0A087XJY7_POEFO Loading...

Adhesion G protein-coupled receptor D2

AlphaFold DB , UniProt , Accession A0A087XJY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 796 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	D	35.5	Very low	42.6	Very low	189 Å²	189	141.6 Å²	141.6	100%	1.011	79%	0.793	S	S	*	*				0	-32.3	0	-63.3	15.9	0	0	0	114.5
2	Q	40.7	Very low	43.5	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-75.8	-28	-177.5	-74.2	-177.2	-18.7	0	0	115.9	S4	Q2-S4 PolarHBondContact O-N 2.81Å
3	D	39.3	Very low	44.3	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-60.3	-16.5	-179.4	-68.4	-45.9	0	0	0	114.5	F5	D3-F5 PolarHBondContact O-N 3.01Å
4	S	38.6	Very low	44.5	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-78.6	-11.1	-172.6	-55.9	0	0	0	0	115.3	Q2	Q2-S4 PolarHBondContact O-N 2.81Å
5	F	35.9	Very low	45.1	Very low	183 Å²	183	135.5 Å²	135.5	80%	0.803	76%	0.759	S	S	*	*	S	Bend	trans	-122.6	-5.1	-167.7	-82.6	-74.5	0	0	0	117.5	D3 G7	D3-F5 PolarHBondContact O-N 3.01Å; F5-G7 PolarHBondContact O-N 3.48Å
6	G	40.4	Very low	45.4	Very low	81 Å²	81	132.8 Å²	132.8	84%	0.835	74%	0.742	S	S	*	*			trans	52.1	29.3	161.1	0	0	0	0	0	117.1
7	G	40.7	Very low	45.7	Very low	57 Å²	57	128.8 Å²	128.8	59%	0.588	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-101.2	135.2	-173.4	0	0	0	0	0	113.1	F5 F9	F5-G7 PolarHBondContact O-N 3.48Å; G7-F9 PolarHBondContact O-N 3.38Å
8	N	46.9	Very low	46.1	Very low	153 Å²	153	124.9 Å²	124.9	82%	0.818	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-70.6	127.4	166.1	-71.9	-5.5	0	0	0	109.4	T10	N8-T10 PolarHBondContact O-N 2.73Å
9	F	50.4	Low	46.1	Very low	174 Å²	174	123.7 Å²	123.7	76%	0.763	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-61.2	117.9	169.8	-73.4	-92.7	0	0	0	109.8	G7	G7-F9 PolarHBondContact O-N 3.38Å
10	T	49.8	Very low	46.5	Very low	137 Å²	137	120.5 Å²	120.5	84%	0.84	67%	0.671	S	S	*	*			trans	-110.4	1.8	174.8	46	0	0	0	0	112.8	N8	N8-T10 PolarHBondContact O-N 2.73Å
11	E	50	Low	46.9	Very low	165 Å²	165	119.7 Å²	119.7	77%	0.771	67%	0.666	S	S	*	*	S	Bend	trans	-104.1	140.6	175.2	-63	-172.3	167.8	0	0	110.6	F13	E11-F13 PolarHBondContact O-N 3.42Å
12	P	54.1	Low	48	Very low	113 Å²	113	114 Å²	114	73%	0.734	64%	0.638	S	S	*	*			trans	-77.5	112.8	-175.9	30.3	-34	0	0	0	111.9
13	F	53.1	Low	48.8	Very low	104 Å²	104	111.2 Å²	111.2	46%	0.456	62%	0.62	S	S	.	*			trans	-67.8	133.6	173.7	176.4	-105.2	0	0	0	112.2	E11 G15 N16 L20	E11-F13 PolarHBondContact O-N 3.42Å; F13-G15 VanDerWaalsContact CE1-C 3.43Å; F13-N16 WeakPolarHBondContact CE1-O 3.47Å; F13-N16 WeakPolarHBondContact CZ-O 3.49Å; F13-L20 HydrophobicContact CD1-CD1 3.72Å; F13-L20 HydrophobicContact CD1-CD2 4.26Å; F13-L20 HydrophobicContact CD1-CG 4.17Å; F13-L20 HydrophobicContact CD2-CD2 3.77Å; F13-L20 HydrophobicContact CE1-CD1 3.84Å; F13-L20 HydrophobicContact CE1-CD2 4.16Å; F13-L20 HydrophobicContact CE1-CG 3.87Å; F13-L20 HydrophobicContact CE2-CD2 3.67Å; F13-L20 HydrophobicContact CE2-CG 4.25Å; F13-L20 HydrophobicContact CG-CD1 4.13Å; F13-L20 HydrophobicContact CG-CD2 4.05Å; F13-L20 HydrophobicContact CG-CG 4.45Å; F13-L20 HydrophobicContact CZ-CD1 4.36Å; F13-L20 HydrophobicContact CZ-CD2 3.86Å; F13-L20 HydrophobicContact CZ-CG 3.91Å
14	F	46.7	Very low	49.6	Very low	200 Å²	200	107.5 Å²	107.5	88%	0.877	60%	0.601	S	S	*	*			trans	-123.1	110	166.9	-92.4	-98	0	0	0	108.6
15	G	54.1	Low	50.6	Low	57 Å²	57	105.3 Å²	105.3	59%	0.588	58%	0.583	S	S	*	*	S	Bend	trans	171.2	-170.6	-177.5	0	0	0	0	0	111.2	F13	F13-G15 VanDerWaalsContact CE1-C 3.43Å
16	N	49.5	Very low	51.7	Low	93 Å²	93	101.5 Å²	101.5	50%	0.497	58%	0.579	S	S	.	*			trans	-80.6	133.3	174.1	-174.9	5.1	0	0	0	109.9	F13 T18 D19	F13-N16 WeakPolarHBondContact CE1-O 3.47Å; F13-N16 WeakPolarHBondContact CZ-O 3.49Å; N16-T18 PolarHBondContact ND2-OG1 3.37Å; N16-T18 PolarHBondContact O-N 3.03Å; N16-T18 PolarHBondContact OD1-OG1 3.23Å; N16-D19 WeakPolarHBondContact CB-OD2 3.3Å; N16-D19 PolarHBondContact O-N 3.29Å
17	I	51.3	Low	52.8	Low	65 Å²	65	99.9 Å²	99.9	33%	0.333	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-66.3	-23.8	-173.9	-157.6	168.8	0	0	0	112.6	D19 L20 W49 I54	I17-D19 PolarHBondContact O-N 3.28Å; I17-L20 HydrophobicContact CG1-CD1 4.3Å; I17-L20 PolarHBondContact O-N 3.41Å; I17-W49 HydrophobicContact CG1-CE3 4.35Å; I17-W49 HydrophobicContact CG1-CZ3 4.3Å; I17-W49 WeakPolarHBondContact O-CH2 3.42Å; I17-W49 VanDerWaalsContact O-CZ3 3.3Å; I17-W49 WeakPolarHBondContact O-CZ3 3.3Å; I17-I54 HydrophobicContact CD1-CD1 3.69Å
18	T	52.1	Low	53.9	Low	59 Å²	59	101.3 Å²	101.3	36%	0.362	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-58.9	-31.2	177.5	49.4	0	0	0	0	113.4	N16 L20 N21 W49	N16-T18 PolarHBondContact ND2-OG1 3.37Å; N16-T18 PolarHBondContact O-N 3.03Å; N16-T18 PolarHBondContact OD1-OG1 3.23Å; T18-L20 PolarHBondContact O-N 2.81Å; T18-N21 PolarHBondContact O-N 3.4Å; T18-W49 HydrophobicContact CG2-CZ2 4.25Å
19	D	46.5	Very low	54.8	Low	102 Å²	102	99.1 Å²	99.1	55%	0.545	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-74.9	-21.9	-170.7	-46.5	-18.5	0	0	0	110.8	N16 I17 N21	N16-D19 WeakPolarHBondContact CB-OD2 3.3Å; N16-D19 PolarHBondContact O-N 3.29Å; I17-D19 PolarHBondContact O-N 3.28Å; D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.27Å; D19-N21 PolarHBondContact O-ND2 3.34Å
20	L	54.5	Low	55.5	Low	59 Å²	59	98.3 Å²	98.3	31%	0.309	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-74.3	-10.9	178	-61.9	179.1	0	0	0	114.4	F13 I17 T18 V22	F13-L20 HydrophobicContact CD1-CD1 3.72Å; F13-L20 HydrophobicContact CD1-CD2 4.26Å; F13-L20 HydrophobicContact CD1-CG 4.17Å; F13-L20 HydrophobicContact CD2-CD2 3.77Å; F13-L20 HydrophobicContact CE1-CD1 3.84Å; F13-L20 HydrophobicContact CE1-CD2 4.16Å; F13-L20 HydrophobicContact CE1-CG 3.87Å; F13-L20 HydrophobicContact CE2-CD2 3.67Å; F13-L20 HydrophobicContact CE2-CG 4.25Å; F13-L20 HydrophobicContact CG-CD1 4.13Å; F13-L20 HydrophobicContact CG-CD2 4.05Å; F13-L20 HydrophobicContact CG-CG 4.45Å; F13-L20 HydrophobicContact CZ-CD1 4.36Å; F13-L20 HydrophobicContact CZ-CD2 3.86Å; F13-L20 HydrophobicContact CZ-CG 3.91Å; I17-L20 HydrophobicContact CG1-CD1 4.3Å; I17-L20 PolarHBondContact O-N 3.41Å; T18-L20 PolarHBondContact O-N 2.81Å; L20-V22 HydrophobicContact CB-CG2 3.88Å; L20-V22 WeakPolarHBondContact O-CG2 3.32Å; L20-V22 PolarHBondContact O-N 3.02Å; L20-V22 VanDerWaalsContact O-N 3.07Å
21	N	55.3	Low	56.3	Low	103 Å²	103	93.1 Å²	93.1	55%	0.551	49%	0.493	S	S	*	.			trans	53.8	28	176.3	-75.5	-83.1	0	0	0	116.1	T18 D19 W23	T18-N21 PolarHBondContact O-N 3.4Å; D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.27Å; D19-N21 PolarHBondContact O-ND2 3.34Å; N21-W23 VanDerWaalsContact C-N 3.31Å; N21-W23 PolarHBondContact O-N 3.16Å; N21-W23 PolarHBondContact OD1-NE1 2.97Å
22	V	56.9	Low	56.8	Low	70 Å²	70	88 Å²	88	42%	0.424	47%	0.473	S	S	.	.			trans	-82.1	71.9	-177.6	-167.1	0	0	0	0	111.7	L20 W49	L20-V22 HydrophobicContact CB-CG2 3.88Å; L20-V22 WeakPolarHBondContact O-CG2 3.32Å; L20-V22 PolarHBondContact O-N 3.02Å; L20-V22 VanDerWaalsContact O-N 3.07Å; V22-W49 HydrophobicContact CB-CE3 4.21Å; V22-W49 HydrophobicContact CB-CZ3 3.81Å; V22-W49 HydrophobicContact CG2-CZ3 4.43Å
23	W	59	Low	57.2	Low	97 Å²	97	90.6 Å²	90.6	37%	0.367	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-83.8	129.8	-177.1	-54.1	109.3	0	0	0	112.6	N21 V25 F47 W49	N21-W23 VanDerWaalsContact C-N 3.31Å; N21-W23 PolarHBondContact O-N 3.16Å; N21-W23 PolarHBondContact OD1-NE1 2.97Å; W23-V25 PolarHBondContact O-N 2.98Å; W23-F47 HydrophobicContact CD2-CD1 4.11Å; W23-F47 HydrophobicContact CE3-CB 4.12Å; W23-F47 AromaticContact CE3-CD1 3.81Å; W23-F47 HydrophobicContact CE3-CD1 3.81Å; W23-F47 HydrophobicContact CE3-CG 4.4Å; W23-F47 HydrophobicContact CZ3-CB 4Å; W23-F47 HydrophobicContact CZ3-CD1 4.06Å; W23-F47 HydrophobicContact CZ3-CG 4.34Å; W23-W49 HydrophobicContact CE3-CZ2 4.12Å; W23-W49 HydrophobicContact CH2-CH2 4.32Å; W23-W49 AromaticContact CH2-CZ2 3.49Å; W23-W49 HydrophobicContact CH2-CZ2 3.49Å; W23-W49 VanDerWaalsContact CH2-CZ2 3.49Å; W23-W49 HydrophobicContact CZ2-CH2 4.39Å; W23-W49 AromaticContact CZ2-CZ2 3.98Å; W23-W49 HydrophobicContact CZ2-CZ2 3.98Å; W23-W49 AromaticContact CZ3-CE2 3.75Å; W23-W49 HydrophobicContact CZ3-CH2 4.44Å; W23-W49 AromaticContact CZ3-CZ2 3.56Å; W23-W49 HydrophobicContact CZ3-CZ2 3.56Å; W23-W49 AromaticContact CZ3-NE1 3.85Å
24	N	55.9	Low	57.6	Low	88 Å²	88	86.5 Å²	86.5	47%	0.471	45%	0.453	S	S	.	.	S	Bend	trans	-70.2	-11.8	177	-166.6	59.2	0	0	0	113.9	S48 N50	N24-S48 WeakPolarHBondContact CB-O 3.49Å; N24-S48 PolarHBondContact N-O 3.44Å; N24-N50 HydrophobicContact CB-CB 4.12Å; N24-N50 PolarHBondContact OD1-ND2 3.22Å
25	V	58.6	Low	58.2	Low	52 Å²	52	79 Å²	79	32%	0.315	42%	0.422	S	S	.	.	S	Bend	trans	-147	127.9	-179.6	-179.4	0	0	0	0	109	W23	W23-V25 PolarHBondContact O-N 2.98Å
26	S	60.5	Low	58.2	Low	103 Å²	103	82.5 Å²	82.5	72%	0.72	43%	0.427	S	S	*	.			trans	-90.1	142	169	57.2	0	0	0	0	111.5	E28	S26-E28 PolarHBondContact O-N 3.5Å
27	L	61.9	Low	58.6	Low	46 Å²	46	84 Å²	84	24%	0.241	44%	0.435	C	S	.	.			trans	-79.4	107.2	177.3	-66.3	179.2	0	0	0	111.7	H31 V32 L35 L46 F47	L27-H31 HydrophobicContact CB-CB 4.5Å; L27-H31 HydrophobicContact CD2-CB 4.17Å; L27-V32 HydrophobicContact CB-CG2 3.94Å; L27-L35 HydrophobicContact CD1-CD1 4.03Å; L27-L46 HydrophobicContact CD2-CD2 4.28Å; L27-F47 HydrophobicContact CD1-CE1 4.33Å; L27-F47 HydrophobicContact CD1-CE2 4.48Å; L27-F47 HydrophobicContact CD1-CZ 3.76Å; L27-F47 HydrophobicContact CG-CZ 4.43Å
28	E	65.4	Low	58.7	Low	87 Å²	87	84.3 Å²	84.3	41%	0.407	44%	0.442	S	S	.	.			trans	-54.5	150.5	167.9	-54.1	170.2	-134.8	0	0	111.7	S26 R30 H31 V32	S26-E28 PolarHBondContact O-N 3.5Å; E28-R30 HydrophobicContact CB-CG 4.17Å; E28-R30 VanDerWaalsContact CD-NH2 3.28Å; E28-R30 PolarHBondContact O-N 3.44Å; E28-R30 IonicContact OE1-CZ 2.83Å; E28-R30 IonicContact OE1-NE 3.21Å; E28-R30 IonicContact OE1-NH2 2.71Å; E28-R30 PolarHBondContact OE1-NH2 2.93Å; E28-R30 IonicContact OE2-CZ 3.22Å; E28-R30 VanDerWaalsContact OE2-CZ 3.23Å; E28-R30 IonicContact OE2-NE 2.75Å; E28-R30 PolarHBondContact OE2-NE 3.38Å; E28-R30 IonicContact OE2-NH2 2.89Å; E28-R30 PolarHBondContact OE2-NH2 3.15Å; E28-H31 WeakPolarHBondContact O-CB 3.45Å; E28-H31 PolarHBondContact O-N 3.13Å; E28-H31 IonicContact OE1-CE1 2.71Å; E28-H31 PolarHBondContact OE1-CE1 3.5Å; E28-V32 PolarHBondContact O-N 3.2Å
29	T	65.4	Low	58.9	Low	107 Å²	107	84 Å²	84	66%	0.656	44%	0.442	S	S	*	.	H	α-helix	trans	-54.3	-28.6	-175.7	-37.3	0	0	0	0	114.2	R33	T29-R33 WeakPolarHBondContact O-CB 3.44Å; T29-R33 PolarHBondContact O-N 3.25Å
30	R	65.4	Low	59.2	Low	158 Å²	158	83.4 Å²	83.4	60%	0.596	45%	0.451	S	S	*	.	H	α-helix	trans	-67.4	-34.2	173.8	59.9	172.1	167.1	144.5	3.9	113.4	E28 A34	E28-R30 HydrophobicContact CB-CG 4.17Å; E28-R30 VanDerWaalsContact CD-NH2 3.28Å; E28-R30 PolarHBondContact O-N 3.44Å; E28-R30 IonicContact OE1-CZ 2.83Å; E28-R30 IonicContact OE1-NE 3.21Å; E28-R30 IonicContact OE1-NH2 2.71Å; E28-R30 PolarHBondContact OE1-NH2 2.93Å; E28-R30 IonicContact OE2-CZ 3.22Å; E28-R30 VanDerWaalsContact OE2-CZ 3.23Å; E28-R30 IonicContact OE2-NE 2.75Å; E28-R30 PolarHBondContact OE2-NE 3.38Å; E28-R30 IonicContact OE2-NH2 2.89Å; E28-R30 PolarHBondContact OE2-NH2 3.15Å; R30-A34 VanDerWaalsContact O-CB 3.3Å; R30-A34 WeakPolarHBondContact O-CB 3.48Å; R30-A34 PolarHBondContact O-N 3.06Å
31	H	65.3	Low	59.2	Low	28 Å²	28	82 Å²	82	13%	0.13	45%	0.446	C	S	.	.	H	α-helix	trans	-75	-41.4	177.4	-54	119.3	0	0	0	110.7	L27 E28 R33 A34 L35	L27-H31 HydrophobicContact CB-CB 4.5Å; L27-H31 HydrophobicContact CD2-CB 4.17Å; E28-H31 WeakPolarHBondContact O-CB 3.45Å; E28-H31 PolarHBondContact O-N 3.13Å; E28-H31 IonicContact OE1-CE1 2.71Å; E28-H31 PolarHBondContact OE1-CE1 3.5Å; H31-R33 VanDerWaalsContact C-N 3.32Å; H31-R33 PolarHBondContact O-N 2.7Å; H31-A34 PolarHBondContact O-N 3.38Å; H31-L35 WeakPolarHBondContact O-CG 3.46Å; H31-L35 PolarHBondContact O-N 3.1Å
32	V	61.1	Low	59.1	Low	58 Å²	58	85.5 Å²	85.5	35%	0.352	46%	0.462	S	S	.	.	H	α-helix	trans	-58.7	-44.8	171.5	-176.8	0	0	0	0	110.5	L27 E28 L35 N36	L27-V32 HydrophobicContact CB-CG2 3.94Å; E28-V32 PolarHBondContact O-N 3.2Å; V32-L35 PolarHBondContact O-N 3.48Å; V32-N36 WeakPolarHBondContact O-CB 3.35Å; V32-N36 VanDerWaalsContact O-CG 3.26Å; V32-N36 PolarHBondContact O-N 2.76Å; V32-N36 PolarHBondContact O-OD1 3.37Å
33	R	61.7	Low	58.9	Low	167 Å²	167	88 Å²	88	63%	0.63	46%	0.464	S	S	*	.	H	α-helix	trans	-65.2	-37.7	175	-169.8	179	-66.2	161.6	-0.4	112.7	T29 H31 N36 L37	T29-R33 WeakPolarHBondContact O-CB 3.44Å; T29-R33 PolarHBondContact O-N 3.25Å; H31-R33 VanDerWaalsContact C-N 3.32Å; H31-R33 PolarHBondContact O-N 2.7Å; R33-N36 PolarHBondContact O-N 3.1Å; R33-L37 HydrophobicContact CG-CD1 3.94Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 VanDerWaalsContact O-CG 3.24Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.15Å; R33-L37 VanDerWaalsContact O-N 3.1Å
34	A	62.8	Low	58.7	Low	18 Å²	18	92 Å²	92	15%	0.149	49%	0.487	C	S	.	.	H	α-helix	trans	-65.9	-39.6	177.3	0	0	0	0	0	112.6	R30 H31 L37 C38 S39 T41	R30-A34 VanDerWaalsContact O-CB 3.3Å; R30-A34 WeakPolarHBondContact O-CB 3.48Å; R30-A34 PolarHBondContact O-N 3.06Å; H31-A34 PolarHBondContact O-N 3.38Å; A34-L37 CarbonylContact O-C 2.91Å; A34-L37 PolarHBondContact O-N 2.95Å; A34-C38 PolarHBondContact O-N 3.43Å; A34-S39 VanDerWaalsContact CA-OG 3.26Å; A34-S39 WeakPolarHBondContact CA-OG 3.29Å; A34-S39 WeakPolarHBondContact CB-OG 3.47Å; A34-S39 PolarHBondContact O-N 2.86Å; A34-S39 PolarHBondContact O-OG 3.08Å; A34-T41 HydrophobicContact CB-CG2 3.91Å
35	L	58.9	Low	58.6	Low	43 Å²	43	94.5 Å²	94.5	23%	0.225	49%	0.494	C	S	.	.	H	α-helix	trans	-66.1	-47.4	173.6	-71.1	165.3	0	0	0	111.3	L27 H31 V32 L37 C38 L46 C100	L27-L35 HydrophobicContact CD1-CD1 4.03Å; H31-L35 WeakPolarHBondContact O-CG 3.46Å; H31-L35 PolarHBondContact O-N 3.1Å; V32-L35 PolarHBondContact O-N 3.48Å; L35-L37 PolarHBondContact O-N 2.76Å; L35-L37 VanDerWaalsContact O-N 3.12Å; L35-C38 PolarHBondContact O-N 2.96Å; L35-L46 HydrophobicContact CD2-CD1 4.2Å; L35-C100 PolarHBondContact O-SG 3.24Å; L35-C100 VanDerWaalsContact O-SG 3.37Å
36	N	53.7	Low	58.4	Low	129 Å²	129	94 Å²	94	69%	0.69	49%	0.489	S	S	*	.	H	α-helix	trans	-64.1	-16	176.6	-69.3	5.5	0	0	0	113.8	V32 R33	V32-N36 WeakPolarHBondContact O-CB 3.35Å; V32-N36 VanDerWaalsContact O-CG 3.26Å; V32-N36 PolarHBondContact O-N 2.76Å; V32-N36 PolarHBondContact O-OD1 3.37Å; R33-N36 PolarHBondContact O-N 3.1Å
37	L	57.8	Low	58.1	Low	126 Å²	126	94.1 Å²	94.1	66%	0.66	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	8.1	174.7	-68	172.5	0	0	0	113	R33 A34 L35 S39	R33-L37 HydrophobicContact CG-CD1 3.94Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 VanDerWaalsContact O-CG 3.24Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.15Å; R33-L37 VanDerWaalsContact O-N 3.1Å; A34-L37 CarbonylContact O-C 2.91Å; A34-L37 PolarHBondContact O-N 2.95Å; L35-L37 PolarHBondContact O-N 2.76Å; L35-L37 VanDerWaalsContact O-N 3.12Å; L37-S39 PolarHBondContact O-N 3.39Å; L37-S39 VanDerWaalsContact O-N 3.07Å
38	C	54.8	Low	57.8	Low	71 Å²	71	93.5 Å²	93.5	48%	0.48	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	32.6	-178.1	-55.6	0	0	0	0	114.5	A34 L35 C100	A34-C38 PolarHBondContact O-N 3.43Å; L35-C38 PolarHBondContact O-N 2.96Å; C38-C100 WeakPolarHBondContact CA-SG 3.37Å; C38-C100 HydrophobicContact CB-CB 3.74Å; C38-C100 WeakPolarHBondContact CB-SG 3.44Å; C38-C100 WeakPolarHBondContact SG-CB 3.41Å; C38-C100 CovalentContact SG-SG 2.03Å; C38-C100 PolarHBondContact SG-SG 3Å
39	S	55.8	Low	57.3	Low	51 Å²	51	92.3 Å²	92.3	36%	0.357	47%	0.468	S	S	.	.			trans	-90.2	142.4	-179.9	61.7	0	0	0	0	111.5	A34 L37 T41	A34-S39 VanDerWaalsContact CA-OG 3.26Å; A34-S39 WeakPolarHBondContact CA-OG 3.29Å; A34-S39 WeakPolarHBondContact CB-OG 3.47Å; A34-S39 PolarHBondContact O-N 2.86Å; A34-S39 PolarHBondContact O-OG 3.08Å; L37-S39 PolarHBondContact O-N 3.39Å; L37-S39 VanDerWaalsContact O-N 3.07Å; S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 VanDerWaalsContact O-N 3.11Å
40	A	52.9	Low	57	Low	91 Å²	91	89.4 Å²	89.4	75%	0.752	45%	0.449	S	S	*	.			trans	-61.5	112.5	-175.8	0	0	0	0	0	112.2
41	T	53.9	Low	56.8	Low	30 Å²	30	88.4 Å²	88.4	18%	0.184	45%	0.454	C	S	.	.			trans	-87	121.6	178.4	40.5	0	0	0	0	111.1	A34 S39 R43	A34-T41 HydrophobicContact CB-CG2 3.91Å; S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 VanDerWaalsContact O-N 3.11Å; T41-R43 PolarHBondContact O-N 3.3Å
42	I	52.6	Low	56.7	Low	176 Å²	176	92.1 Å²	92.1	90%	0.903	48%	0.483	S	S	*	.	S	Bend	trans	-78.1	26.4	-171.1	-51.7	160.7	0	0	0	112.4
43	R	53.3	Low	56.6	Low	123 Å²	123	95.2 Å²	95.2	46%	0.464	50%	0.497	S	S	.	.			trans	-119.3	112.2	176.8	-84.8	-170.8	172.7	179.3	-0.3	110.2	T41 K45 L46	T41-R43 PolarHBondContact O-N 3.3Å; R43-K45 PolarHBondContact O-N 2.94Å; R43-K45 VanDerWaalsContact O-N 3.08Å; R43-L46 HydrophobicContact CB-CD2 4.2Å
44	E	55.7	Low	56.5	Low	180 Å²	180	90.4 Å²	90.4	84%	0.841	48%	0.483	S	S	*	.	S	Bend	trans	-58.6	-18.8	176.4	-60.4	172.1	149.5	0	0	113.6
45	K	53.6	Low	56.4	Low	141 Å²	141	97.8 Å²	97.8	61%	0.613	52%	0.52	S	S	*	.			trans	-140.4	111.4	175.7	-155.8	175.1	-166	-171.2	0	111.4	R43 F47 S48	R43-K45 PolarHBondContact O-N 2.94Å; R43-K45 VanDerWaalsContact O-N 3.08Å; K45-F47 VanDerWaalsContact CE-O 3.3Å; K45-F47 WeakPolarHBondContact CE-O 3.48Å; K45-F47 WeakPolarHBondContact CG-O 3.26Å; K45-S48 PolarHBondContact NZ-OG 3.47Å
46	L	54.6	Low	56.5	Low	41 Å²	41	100.2 Å²	100.2	22%	0.215	54%	0.541	C	S	.	.	S	Bend	trans	-84.9	-35.8	177	-66	175.7	0	0	0	112.5	L27 L35 R43	L27-L46 HydrophobicContact CD2-CD2 4.28Å; L35-L46 HydrophobicContact CD2-CD1 4.2Å; R43-L46 HydrophobicContact CB-CD2 4.2Å
47	F	53.8	Low	56.6	Low	105 Å²	105	99.7 Å²	99.7	46%	0.461	53%	0.534	S	S	.	.			trans	-127.5	139.5	-178.5	-61	-82	0	0	0	111.2	W23 L27 K45	W23-F47 HydrophobicContact CD2-CD1 4.11Å; W23-F47 HydrophobicContact CE3-CB 4.12Å; W23-F47 AromaticContact CE3-CD1 3.81Å; W23-F47 HydrophobicContact CE3-CD1 3.81Å; W23-F47 HydrophobicContact CE3-CG 4.4Å; W23-F47 HydrophobicContact CZ3-CB 4Å; W23-F47 HydrophobicContact CZ3-CD1 4.06Å; W23-F47 HydrophobicContact CZ3-CG 4.34Å; L27-F47 HydrophobicContact CD1-CE1 4.33Å; L27-F47 HydrophobicContact CD1-CE2 4.48Å; L27-F47 HydrophobicContact CD1-CZ 3.76Å; L27-F47 HydrophobicContact CG-CZ 4.43Å; K45-F47 VanDerWaalsContact CE-O 3.3Å; K45-F47 WeakPolarHBondContact CE-O 3.48Å; K45-F47 WeakPolarHBondContact CG-O 3.26Å
48	S	54.7	Low	56.7	Low	34 Å²	34	101.5 Å²	101.5	24%	0.238	54%	0.539	C	S	.	.			trans	-153.3	136.7	168.9	-164.4	0	0	0	0	109.5	N24 K45	N24-S48 WeakPolarHBondContact CB-O 3.49Å; N24-S48 PolarHBondContact N-O 3.44Å; K45-S48 PolarHBondContact NZ-OG 3.47Å
49	W	55.8	Low	56.4	Low	61 Å²	61	103 Å²	103	23%	0.231	55%	0.545	C	S	.	.	B	Isolated β-bridge	trans	-68.5	149	161.1	-60.7	92.1	0	0	0	109.2	I17 T18 V22 W23	I17-W49 HydrophobicContact CG1-CE3 4.35Å; I17-W49 HydrophobicContact CG1-CZ3 4.3Å; I17-W49 WeakPolarHBondContact O-CH2 3.42Å; I17-W49 VanDerWaalsContact O-CZ3 3.3Å; I17-W49 WeakPolarHBondContact O-CZ3 3.3Å; T18-W49 HydrophobicContact CG2-CZ2 4.25Å; V22-W49 HydrophobicContact CB-CE3 4.21Å; V22-W49 HydrophobicContact CB-CZ3 3.81Å; V22-W49 HydrophobicContact CG2-CZ3 4.43Å; W23-W49 HydrophobicContact CE3-CZ2 4.12Å; W23-W49 HydrophobicContact CH2-CH2 4.32Å; W23-W49 AromaticContact CH2-CZ2 3.49Å; W23-W49 HydrophobicContact CH2-CZ2 3.49Å; W23-W49 VanDerWaalsContact CH2-CZ2 3.49Å; W23-W49 HydrophobicContact CZ2-CH2 4.39Å; W23-W49 AromaticContact CZ2-CZ2 3.98Å; W23-W49 HydrophobicContact CZ2-CZ2 3.98Å; W23-W49 AromaticContact CZ3-CE2 3.75Å; W23-W49 HydrophobicContact CZ3-CH2 4.44Å; W23-W49 AromaticContact CZ3-CZ2 3.56Å; W23-W49 HydrophobicContact CZ3-CZ2 3.56Å; W23-W49 AromaticContact CZ3-NE1 3.85Å
50	N	59.2	Low	56.3	Low	47 Å²	47	105.5 Å²	105.5	25%	0.251	56%	0.558	S	S	.	*			trans	-105.6	93.4	170.9	-168.8	-16.1	0	0	0	109.6	N24 S52 L53	N24-N50 HydrophobicContact CB-CB 4.12Å; N24-N50 PolarHBondContact OD1-ND2 3.22Å; N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 PolarHBondContact OD1-N 2.89Å; N50-S52 PolarHBondContact OD1-OG 2.85Å; N50-S52 VanDerWaalsContact OD1-OG 3.06Å; N50-L53 HydrophobicContact CB-CD1 3.98Å; N50-L53 HydrophobicContact CB-CG 4.13Å; N50-L53 PolarHBondContact O-N 2.83Å
51	L	61.4	Low	56.2	Low	137 Å²	137	109.9 Å²	109.9	72%	0.717	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-63.4	-20.4	-176	-67.7	169.1	0	0	0	113.4	L53 I54	L51-L53 PolarHBondContact O-N 2.8Å; L51-I54 HydrophobicContact CD2-CD1 4.33Å; L51-I54 PolarHBondContact O-N 2.78Å
52	S	62.1	Low	56.1	Low	105 Å²	105	116.1 Å²	116.1	73%	0.734	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-82	7.2	175.1	77.5	0	0	0	0	113.9	N50	N50-S52 PolarHBondContact O-N 3.13Å; N50-S52 PolarHBondContact OD1-N 2.89Å; N50-S52 PolarHBondContact OD1-OG 2.85Å; N50-S52 VanDerWaalsContact OD1-OG 3.06Å
53	L	58.7	Low	55.7	Low	124 Å²	124	113.8 Å²	113.8	65%	0.649	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-107.3	5.4	169.6	-57.8	-179.3	0	0	0	112.2	N50 L51	N50-L53 HydrophobicContact CB-CD1 3.98Å; N50-L53 HydrophobicContact CB-CG 4.13Å; N50-L53 PolarHBondContact O-N 2.83Å; L51-L53 PolarHBondContact O-N 2.8Å
54	I	60.7	Low	55.2	Low	65 Å²	65	116.4 Å²	116.4	33%	0.333	60%	0.596	S	S	.	*			trans	-123.3	98.4	-173.4	-62.4	153.8	0	0	0	108.9	I17 L51 S56	I17-I54 HydrophobicContact CD1-CD1 3.69Å; L51-I54 HydrophobicContact CD2-CD1 4.33Å; L51-I54 PolarHBondContact O-N 2.78Å; I54-S56 PolarHBondContact O-N 2.72Å
55	D	60.4	Low	54.5	Low	174 Å²	174	111.3 Å²	111.3	93%	0.93	58%	0.584	S	S	*	*			trans	-75.1	108.3	172.3	-90.6	-43.3	0	0	0	110.6
56	S	60	Low	53.9	Low	93 Å²	93	109.4 Å²	109.4	65%	0.65	59%	0.586	S	S	*	*			trans	-80.6	124.3	177	62	0	0	0	0	111.8	I54	I54-S56 PolarHBondContact O-N 2.72Å
57	H	57.4	Low	53.1	Low	118 Å²	118	113.2 Å²	113.2	55%	0.546	61%	0.607	S	S	.	*			trans	-63.3	138.5	174.8	-170.7	-100.9	0	0	0	111.7	V59 V60	H57-V59 PolarHBondContact O-N 3.33Å; H57-V60 WeakPolarHBondContact O-CB 3.4Å; H57-V60 WeakPolarHBondContact O-CG2 3.49Å; H57-V60 PolarHBondContact O-N 3.17Å
58	H	58.7	Low	52.6	Low	164 Å²	164	114.2 Å²	114.2	76%	0.759	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-1.2	-169.8	67.5	-91.9	0	0	0	117.3
59	V	50	Low	52.1	Low	102 Å²	102	114.2 Å²	114.2	62%	0.618	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-22.8	175	-179.5	0	0	0	0	111.5	H57	H57-V59 PolarHBondContact O-N 3.33Å
60	V	53.4	Low	51.4	Low	104 Å²	104	114.7 Å²	114.7	63%	0.63	62%	0.621	S	S	*	*			trans	-69.6	129.2	176.1	-177.2	0	0	0	0	109	H57	H57-V60 WeakPolarHBondContact O-CB 3.4Å; H57-V60 WeakPolarHBondContact O-CG2 3.49Å; H57-V60 PolarHBondContact O-N 3.17Å
61	K	50.4	Low	50.6	Low	184 Å²	184	114.3 Å²	114.3	80%	0.8	62%	0.621	S	S	*	*			trans	-106.8	129.5	175	-66.3	-177.7	-179.6	178.1	0	109.5	V63	K61-V63 PolarHBondContact O-N 3.36Å
62	E	52.6	Low	49.7	Very low	161 Å²	161	111.7 Å²	111.7	75%	0.752	61%	0.606	S	S	*	*			trans	-63.4	127.4	169.9	-168.6	-166.9	153.3	0	0	109.5	K64	E62-K64 WeakPolarHBondContact OE1-CE 3.45Å; E62-K64 IonicContact OE1-NZ 3.68Å
63	V	42.2	Very low	48.7	Very low	126 Å²	126	109 Å²	109	76%	0.764	59%	0.588	S	S	*	*			trans	-119.3	118.9	175.6	179.3	0	0	0	0	108.2	K61 A65	K61-V63 PolarHBondContact O-N 3.36Å; V63-A65 PolarHBondContact O-N 3.26Å
64	K	44.1	Very low	47.7	Very low	178 Å²	178	109.4 Å²	109.4	77%	0.774	59%	0.586	S	S	*	*			trans	-85.7	107.1	177.6	-63.6	-170.3	176.9	-172.1	0	109.7	E62	E62-K64 WeakPolarHBondContact OE1-CE 3.45Å; E62-K64 IonicContact OE1-NZ 3.68Å
65	A	40.6	Very low	46.5	Very low	73 Å²	73	109.3 Å²	109.3	60%	0.603	59%	0.588	S	S	*	*			trans	-97.5	132.8	171.2	0	0	0	0	0	110	V63	V63-A65 PolarHBondContact O-N 3.26Å
66	P	41.1	Very low	45.1	Very low	101 Å²	101	108.6 Å²	108.6	66%	0.656	58%	0.577	S	S	*	*			trans	-71.1	134	168	30.6	-32.6	0	0	0	109.6	F68	P66-F68 HydrophobicContact CB-CE2 3.92Å; P66-F68 HydrophobicContact CB-CZ 4.13Å; P66-F68 HydrophobicContact CG-CE2 4.1Å
67	L	38.4	Very low	44	Very low	122 Å²	122	110 Å²	110	64%	0.639	57%	0.573	S	S	*	*			trans	-111	122.6	176.2	-70.2	170.8	0	0	0	108.9	C92	L67-C92 HydrophobicContact CB-CB 4.27Å; L67-C92 PolarHBondContact O-N 3.25Å
68	F	43.3	Very low	42.9	Very low	125 Å²	125	111.9 Å²	111.9	55%	0.548	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	132.3	178.8	-62.7	-78.2	0	0	0	110.4	P66 W89 T90	P66-F68 HydrophobicContact CB-CE2 3.92Å; P66-F68 HydrophobicContact CB-CZ 4.13Å; P66-F68 HydrophobicContact CG-CE2 4.1Å; F68-W89 HydrophobicContact CB-CB 4.29Å; F68-W89 HydrophobicContact CB-CE3 4.15Å; F68-T90 CarbonylContact C-O 3.51Å; F68-T90 WeakPolarHBondContact CA-O 3.32Å
69	C	43.7	Very low	41.9	Very low	34 Å²	34	114.6 Å²	114.6	23%	0.23	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	139.3	-178.6	-82.1	0	0	0	0	110	T90 C92 L96	C69-T90 PolarHBondContact N-O 3.14Å; C69-T90 PolarHBondContact O-N 3.09Å; C69-C92 VanDerWaalsContact CA-SG 3.56Å; C69-C92 HydrophobicContact CB-CB 4.07Å; C69-C92 WeakPolarHBondContact CB-SG 3.16Å; C69-C92 PolarHBondContact N-SG 3.38Å; C69-C92 VanDerWaalsContact SG-CA 3.54Å; C69-C92 WeakPolarHBondContact SG-CB 3.49Å; C69-C92 CovalentContact SG-SG 2.05Å; C69-C92 PolarHBondContact SG-SG 2.87Å; C69-L96 HydrophobicContact CB-CD1 3.79Å
70	P	41.9	Very low	41.2	Very low	71 Å²	71	115.8 Å²	115.8	46%	0.461	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	136.8	178.3	31.9	-34	0	0	0	111.1	F87 W89	P70-F87 HydrophobicContact CB-CD1 3.98Å; P70-W89 HydrophobicContact CB-CE3 4.35Å; P70-W89 HydrophobicContact CB-CZ3 4.14Å; P70-W89 HydrophobicContact CG-CZ3 4.41Å
71	V	42.2	Very low	40.1	Very low	40 Å²	40	117.3 Å²	117.3	24%	0.242	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	134.9	-178.5	-177	0	0	0	0	109.7	F87 I88 T90 L96	V71-F87 WeakPolarHBondContact O-CA 3.3Å; V71-I88 PolarHBondContact N-O 2.98Å; V71-I88 PolarHBondContact O-N 3.24Å; V71-T90 HydrophobicContact CB-CG2 4.13Å; V71-T90 HydrophobicContact CG2-CG2 3.57Å; V71-T90 VanDerWaalsContact CG2-OG1 3.25Å; V71-T90 WeakPolarHBondContact CG2-OG1 3.47Å; V71-L96 HydrophobicContact CG1-CD2 4.41Å; V71-L96 HydrophobicContact CG2-CD1 3.79Å; V71-L96 HydrophobicContact CG2-CD2 3.51Å; V71-L96 HydrophobicContact CG2-CG 4.31Å
72	I	42.7	Very low	39.3	Very low	81 Å²	81	112.4 Å²	112.4	42%	0.415	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.3	134.9	179.5	-68.4	164.6	0	0	0	110.7	E85 F87	I72-E85 HydrophobicContact CG2-CB 3.87Å; I72-E85 HydrophobicContact CG2-CG 3.72Å; I72-F87 HydrophobicContact CD1-CE1 4.17Å; I72-F87 HydrophobicContact CD1-CZ 4.39Å; I72-F87 HydrophobicContact CG1-CD1 4.03Å; I72-F87 HydrophobicContact CG1-CE1 3.44Å; I72-F87 VanDerWaalsContact CG1-CE1 3.44Å; I72-F87 HydrophobicContact CG1-CZ 3.9Å
73	S	39.6	Very low	38.3	Very low	48 Å²	48	108 Å²	108	34%	0.336	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.4	120.1	171.7	-163.2	0	0	0	0	110.1	V75 S86	S73-V75 PolarHBondContact O-N 3.36Å; S73-S86 PolarHBondContact N-O 3.2Å; S73-S86 PolarHBondContact O-N 2.99Å; S73-S86 PolarHBondContact O-OG 3.37Å
74	E	37.3	Very low	38	Very low	134 Å²	134	105.6 Å²	105.6	63%	0.626	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.7	124.7	175.4	-72.7	-175.9	-160.3	0	0	111.1
75	V	36.9	Very low	37.6	Very low	62 Å²	62	102 Å²	102	38%	0.376	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.6	122.4	166.9	179.8	0	0	0	0	109.1	S73 V84 S86	S73-V75 PolarHBondContact O-N 3.36Å; V75-V84 PolarHBondContact N-O 3.45Å; V75-V84 PolarHBondContact O-N 2.95Å; V75-S86 WeakPolarHBondContact CG2-OG 3.48Å
76	K	30.6	Very low	37.4	Very low	159 Å²	159	100.5 Å²	100.5	69%	0.691	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.2	173.2	-76.2	-175.1	175.5	-179.5	0	110.5	T83	K76-T83 HydrophobicContact CD-CG2 4.35Å; K76-T83 HydrophobicContact CG-CG2 3.76Å
77	H	36.1	Very low	37.4	Very low	123 Å²	123	101.8 Å²	101.8	57%	0.569	53%	0.531	S	S	*	.			trans	-107.4	125.7	166.7	-79	-69.1	0	0	0	109.6	Y79	H77-Y79 PolarHBondContact O-N 2.79Å
78	D	35.5	Very low	37.7	Very low	158 Å²	158	100.3 Å²	100.3	85%	0.845	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	5.9	-170.7	-84.3	-25	0	0	0	116.2
79	Y	37.3	Very low	37.9	Very low	220 Å²	220	102.5 Å²	102.5	86%	0.863	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-21	-171	-73.9	-82.8	0	0	0	115.7	H77	H77-Y79 PolarHBondContact O-N 2.79Å
80	L	35.8	Very low	38.1	Very low	128 Å²	128	102.6 Å²	102.6	67%	0.67	53%	0.528	S	S	*	.	S	Bend	trans	-121.5	135.1	158	-88.1	77.6	0	0	0	106.4	T82	L80-T82 PolarHBondContact O-N 3.43Å
81	S	30.6	Very low	38.4	Very low	136 Å²	136	103.2 Å²	103.2	95%	0.951	53%	0.527	S	S	*	.	S	Bend	trans	-78.2	52.7	-177.8	59.7	0	0	0	0	112.6
82	T	33.6	Very low	38.8	Very low	80 Å²	80	103.8 Å²	103.8	49%	0.491	53%	0.533	S	S	.	.	S	Bend	trans	-133.8	124.6	-178.5	46.4	0	0	0	0	108.8	L80 V84	L80-T82 PolarHBondContact O-N 3.43Å; T82-V84 PolarHBondContact O-N 3.37Å
83	T	30.8	Very low	39.2	Very low	70 Å²	70	104.7 Å²	104.7	43%	0.429	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	125	166.8	34.1	0	0	0	0	109.2	K76	K76-T83 HydrophobicContact CD-CG2 4.35Å; K76-T83 HydrophobicContact CG-CG2 3.76Å
84	V	35.5	Very low	39.7	Very low	74 Å²	74	107.2 Å²	107.2	45%	0.448	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.4	124	173.6	-179	0	0	0	0	107.9	V75 T82	V75-V84 PolarHBondContact N-O 3.45Å; V75-V84 PolarHBondContact O-N 2.95Å; T82-V84 PolarHBondContact O-N 3.37Å
85	E	35.2	Very low	40.1	Very low	103 Å²	103	108 Å²	108	48%	0.481	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	129	173.1	-72.9	-174.6	179.6	0	0	109.7	I72	I72-E85 HydrophobicContact CG2-CB 3.87Å; I72-E85 HydrophobicContact CG2-CG 3.72Å
86	S	36.7	Very low	40.8	Very low	41 Å²	41	108.2 Å²	108.2	29%	0.287	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.2	138.3	-178.7	69.3	0	0	0	0	110.5	S73 V75	S73-S86 PolarHBondContact N-O 3.2Å; S73-S86 PolarHBondContact O-N 2.99Å; S73-S86 PolarHBondContact O-OG 3.37Å; V75-S86 WeakPolarHBondContact CG2-OG 3.48Å
87	F	41	Very low	41.5	Very low	128 Å²	128	106.3 Å²	106.3	56%	0.561	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	-176.7	-70.5	-83.3	0	0	0	112.1	P70 V71 I72	P70-F87 HydrophobicContact CB-CD1 3.98Å; V71-F87 WeakPolarHBondContact O-CA 3.3Å; I72-F87 HydrophobicContact CD1-CE1 4.17Å; I72-F87 HydrophobicContact CD1-CZ 4.39Å; I72-F87 HydrophobicContact CG1-CD1 4.03Å; I72-F87 HydrophobicContact CG1-CE1 3.44Å; I72-F87 VanDerWaalsContact CG1-CE1 3.44Å; I72-F87 HydrophobicContact CG1-CZ 3.9Å
88	I	46.5	Very low	41.9	Very low	91 Å²	91	105.4 Å²	105.4	47%	0.467	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	143.2	172.6	-59.3	179.5	0	0	0	108.3	V71	V71-I88 PolarHBondContact N-O 2.98Å; V71-I88 PolarHBondContact O-N 3.24Å
89	W	46.6	Very low	42.3	Very low	171 Å²	171	104.7 Å²	104.7	65%	0.648	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	122.4	178.3	-59.6	94.6	0	0	0	110.8	F68 P70	F68-W89 HydrophobicContact CB-CB 4.29Å; F68-W89 HydrophobicContact CB-CE3 4.15Å; P70-W89 HydrophobicContact CB-CE3 4.35Å; P70-W89 HydrophobicContact CB-CZ3 4.14Å; P70-W89 HydrophobicContact CG-CZ3 4.41Å
90	T	47.3	Very low	42.4	Very low	37 Å²	37	96.2 Å²	96.2	23%	0.227	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	174.3	173.9	69.8	0	0	0	0	111.1	F68 C69 V71	F68-T90 CarbonylContact C-O 3.51Å; F68-T90 WeakPolarHBondContact CA-O 3.32Å; C69-T90 PolarHBondContact N-O 3.14Å; C69-T90 PolarHBondContact O-N 3.09Å; V71-T90 HydrophobicContact CB-CG2 4.13Å; V71-T90 HydrophobicContact CG2-CG2 3.57Å; V71-T90 VanDerWaalsContact CG2-OG1 3.25Å; V71-T90 WeakPolarHBondContact CG2-OG1 3.47Å
91	D	48.3	Very low	42.5	Very low	84 Å²	84	101.6 Å²	101.6	45%	0.449	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.9	169.4	-163.9	-55	0	0	0	109.5	S93 D94	D91-S93 PolarHBondContact O-N 2.94Å; D91-S93 VanDerWaalsContact O-N 3.15Å; D91-S93 WeakPolarHBondContact OD1-CB 3.33Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 3.47Å; D91-D94 PolarHBondContact O-N 3.3Å
92	C	51.2	Low	42.6	Very low	52 Å²	52	98.1 Å²	98.1	35%	0.351	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-2	175	-70.5	0	0	0	0	114.1	L67 C69 D94	L67-C92 HydrophobicContact CB-CB 4.27Å; L67-C92 PolarHBondContact O-N 3.25Å; C69-C92 VanDerWaalsContact CA-SG 3.56Å; C69-C92 HydrophobicContact CB-CB 4.07Å; C69-C92 WeakPolarHBondContact CB-SG 3.16Å; C69-C92 PolarHBondContact N-SG 3.38Å; C69-C92 VanDerWaalsContact SG-CA 3.54Å; C69-C92 WeakPolarHBondContact SG-CB 3.49Å; C69-C92 CovalentContact SG-SG 2.05Å; C69-C92 PolarHBondContact SG-SG 2.87Å; C92-D94 VanDerWaalsContact C-N 3.34Å
93	S	50.7	Low	42.8	Very low	99 Å²	99	98.1 Å²	98.1	69%	0.692	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.3	174.1	-52.9	0	0	0	0	113.5	D91	D91-S93 PolarHBondContact O-N 2.94Å; D91-S93 VanDerWaalsContact O-N 3.15Å; D91-S93 WeakPolarHBondContact OD1-CB 3.33Å; D91-S93 PolarHBondContact OD1-N 2.76Å; D91-S93 PolarHBondContact OD1-OG 3.47Å
94	D	49.3	Very low	43	Very low	102 Å²	102	103.5 Å²	103.5	55%	0.545	53%	0.531	S	S	.	.	S	Bend	trans	-78.9	144.7	179.2	-71.9	-43.9	0	0	0	112.2	D91 C92 L96	D91-D94 PolarHBondContact O-N 3.3Å; C92-D94 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 3.48Å
95	L	47.8	Very low	43.1	Very low	150 Å²	150	101.3 Å²	101.3	79%	0.785	52%	0.52	S	S	*	.			trans	-75.7	88.8	-179.6	-82.3	165	0	0	0	111.6
96	L	51.6	Low	43	Very low	67 Å²	67	101.5 Å²	101.5	35%	0.351	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-81.1	146.1	176.9	-58.7	-178.5	0	0	0	112.7	C69 V71 D94 F98	C69-L96 HydrophobicContact CB-CD1 3.79Å; V71-L96 HydrophobicContact CG1-CD2 4.41Å; V71-L96 HydrophobicContact CG2-CD1 3.79Å; V71-L96 HydrophobicContact CG2-CD2 3.51Å; V71-L96 HydrophobicContact CG2-CG 4.31Å; D94-L96 PolarHBondContact O-N 3.48Å; L96-F98 PolarHBondContact O-N 2.98Å
97	P	45.3	Very low	42.9	Very low	119 Å²	119	105.6 Å²	105.6	77%	0.773	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.7	132	167.8	28.9	-33.6	0	0	0	109.8
98	F	44.5	Very low	42.7	Very low	104 Å²	104	102.9 Å²	102.9	46%	0.456	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-73.8	130.6	-177.8	59.3	-90.2	0	0	0	111.4	L96 C100	L96-F98 PolarHBondContact O-N 2.98Å; F98-C100 HydrophobicContact CD2-CB 4.22Å; F98-C100 HydrophobicContact CE2-CB 4.15Å; F98-C100 PolarHBondContact O-N 3Å
99	I	43.7	Very low	42.3	Very low	142 Å²	142	101.4 Å²	101.4	73%	0.728	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-66.5	119.2	167.6	-62.2	171.9	0	0	0	107.5
100	C	38	Very low	41.8	Very low	43 Å²	43	99.6 Å²	99.6	29%	0.291	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-98.7	130.5	177.8	-166.8	0	0	0	0	110.3	L35 C38 F98	L35-C100 PolarHBondContact O-SG 3.24Å; L35-C100 VanDerWaalsContact O-SG 3.37Å; C38-C100 WeakPolarHBondContact CA-SG 3.37Å; C38-C100 HydrophobicContact CB-CB 3.74Å; C38-C100 WeakPolarHBondContact CB-SG 3.44Å; C38-C100 WeakPolarHBondContact SG-CB 3.41Å; C38-C100 CovalentContact SG-SG 2.03Å; C38-C100 PolarHBondContact SG-SG 3Å; F98-C100 HydrophobicContact CD2-CB 4.22Å; F98-C100 HydrophobicContact CE2-CB 4.15Å; F98-C100 PolarHBondContact O-N 3Å
101	R	38.7	Very low	41	Very low	240 Å²	240	102.6 Å²	102.6	91%	0.906	55%	0.545	S	S	*	.			trans	64.5	91.2	-173.4	-175.2	-171.5	171	-171.1	-4.9	114.1
102	S	33.3	Very low	40.2	Very low	63 Å²	63	104.2 Å²	104.2	44%	0.441	56%	0.558	S	S	.	*			trans	-106.6	150.9	150	-179.9	0	0	0	0	109.1	L106	S102-L106 WeakPolarHBondContact OG-CB 3.42Å
103	S	37.7	Very low	39.4	Very low	80 Å²	80	106.7 Å²	106.7	56%	0.559	57%	0.572	S	S	*	*			trans	-75.3	162.9	161.1	68.9	0	0	0	0	109.7	A105 L106	S103-A105 PolarHBondContact O-N 2.96Å; S103-L106 PolarHBondContact O-N 3.46Å
104	R	34.5	Very low	38.4	Very low	184 Å²	184	109 Å²	109	69%	0.694	58%	0.577	S	S	*	*	H	α-helix	trans	-62.8	-27.5	178.5	-160.5	177.5	-172.7	172.8	-5.4	112.3	L106 L107 E406	R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.42Å; R104-L107 PolarHBondContact O-N 3.28Å; R104-E406 IonicContact CZ-OE1 2.94Å; R104-E406 IonicContact NH1-OE1 2.68Å; R104-E406 PolarHBondContact NH1-OE1 3.14Å
105	A	36.5	Very low	37.5	Very low	28 Å²	28	114.1 Å²	114.1	23%	0.231	59%	0.594	C	S	.	*	H	α-helix	trans	-60.9	-32.1	-178	0	0	0	0	0	113.9	S103 V109 V228	S103-A105 PolarHBondContact O-N 2.96Å; A105-V109 WeakPolarHBondContact O-CG2 3.49Å; A105-V228 HydrophobicContact CB-CG1 4.03Å
106	L	33.8	Very low	36.5	Very low	107 Å²	107	109.8 Å²	109.8	56%	0.56	58%	0.58	S	S	*	*	H	α-helix	trans	-74.3	-31.2	-177.3	-152.2	79.7	0	0	0	113.1	S102 S103 R104 F110	S102-L106 WeakPolarHBondContact OG-CB 3.42Å; S103-L106 PolarHBondContact O-N 3.46Å; R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.42Å; L106-F110 HydrophobicContact CG-CE2 4.5Å; L106-F110 WeakPolarHBondContact O-CD2 3.27Å
107	L	33.7	Very low	35.4	Very low	127 Å²	127	115 Å²	115	67%	0.665	61%	0.608	S	S	*	*	H	α-helix	trans	-72.8	-36.6	-174.8	-97.6	147.8	0	0	0	112.8	R104 V109	R104-L107 PolarHBondContact O-N 3.28Å; L107-V109 VanDerWaalsContact C-N 3.28Å; L107-V109 PolarHBondContact O-N 3.1Å
108	N	36.7	Very low	34.8	Very low	70 Å²	70	115.2 Å²	115.2	37%	0.374	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	-178.6	-73.1	30.1	0	0	0	113.7	P111 E227 V228	N108-P111 WeakPolarHBondContact O-CD 3.49Å; N108-E227 PolarHBondContact ND2-OE2 3.31Å; N108-V228 HydrophobicContact CB-CG2 4.25Å
109	V	39.4	Very low	34.1	Very low	60 Å²	60	117.6 Å²	117.6	36%	0.364	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-25.8	-178.8	171	0	0	0	0	113	A105 L107	A105-V109 WeakPolarHBondContact O-CG2 3.49Å; L107-V109 VanDerWaalsContact C-N 3.28Å; L107-V109 PolarHBondContact O-N 3.1Å
110	F	35.7	Very low	33.7	Very low	134 Å²	134	115.8 Å²	115.8	59%	0.588	62%	0.615	S	S	*	*	S	Bend	trans	-77.5	-28.3	-171	-76.2	-82.3	0	0	0	118.2	L106 T112 T113	L106-F110 HydrophobicContact CG-CE2 4.5Å; L106-F110 WeakPolarHBondContact O-CD2 3.27Å; F110-T112 VanDerWaalsContact C-N 3.33Å; F110-T112 PolarHBondContact O-N 3.48Å; F110-T113 PolarHBondContact O-OG1 3.36Å
111	P	30.7	Very low	33.7	Very low	100 Å²	100	116.8 Å²	116.8	65%	0.649	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-65.7	-27	-174.1	-24.1	34.8	0	0	0	115.8	N108	N108-P111 WeakPolarHBondContact O-CD 3.49Å
112	T	31.2	Very low	33.6	Very low	118 Å²	118	108 Å²	108	72%	0.724	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-87.4	-16	-165.9	49.6	0	0	0	0	114.8	F110 N114	F110-T112 VanDerWaalsContact C-N 3.33Å; F110-T112 PolarHBondContact O-N 3.48Å; T112-N114 PolarHBondContact O-N 2.97Å
113	T	33.9	Very low	33.9	Very low	103 Å²	103	113.8 Å²	113.8	63%	0.632	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-68.2	-17.4	-175	54.2	0	0	0	0	114.5	F110 K115	F110-T113 PolarHBondContact O-OG1 3.36Å; T113-K115 VanDerWaalsContact C-N 3.34Å; T113-K115 PolarHBondContact O-N 3.49Å; T113-K115 VanDerWaalsContact O-N 3.12Å
114	N	30.8	Very low	34.1	Very low	149 Å²	149	115.6 Å²	115.6	80%	0.797	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	37.2	-162.1	-126.9	-18	0	0	0	114.8	T112	T112-N114 PolarHBondContact O-N 2.97Å
115	K	29.2	Very low	34.5	Very low	209 Å²	209	107.8 Å²	107.8	91%	0.909	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.6	22.6	-179.5	-123.1	167.5	-169.5	175.7	0	118.7	T113	T113-K115 VanDerWaalsContact C-N 3.34Å; T113-K115 PolarHBondContact O-N 3.49Å; T113-K115 VanDerWaalsContact O-N 3.12Å
116	A	28.4	Very low	34.7	Very low	59 Å²	59	109 Å²	109	49%	0.488	60%	0.595	S	S	.	*			trans	-131.3	124.9	174.6	0	0	0	0	0	113.1	F118	A116-F118 HydrophobicContact CB-CD2 3.86Å; A116-F118 HydrophobicContact CB-CE2 3.5Å; A116-F118 HydrophobicContact CB-CZ 4.14Å; A116-F118 PolarHBondContact O-N 3.44Å; A116-F118 VanDerWaalsContact O-N 3.13Å
117	N	28.6	Very low	35	Very low	177 Å²	177	107 Å²	107	95%	0.947	59%	0.59	S	S	*	*			trans	-80	83.8	171.4	-83.8	-26.1	0	0	0	110	N119	N117-N119 PolarHBondContact O-N 2.95Å
118	F	31.3	Very low	35.6	Very low	123 Å²	123	104.2 Å²	104.2	54%	0.539	57%	0.573	S	S	.	*			trans	-72.1	124	177.1	-78.1	-78.5	0	0	0	112.5	A116 F122	A116-F118 HydrophobicContact CB-CD2 3.86Å; A116-F118 HydrophobicContact CB-CE2 3.5Å; A116-F118 HydrophobicContact CB-CZ 4.14Å; A116-F118 PolarHBondContact O-N 3.44Å; A116-F118 VanDerWaalsContact O-N 3.13Å; F118-F122 HydrophobicContact CD1-CB 3.99Å; F118-F122 HydrophobicContact CD1-CD1 4.15Å; F118-F122 HydrophobicContact CD1-CD2 4.04Å; F118-F122 AromaticContact CD1-CG 3.79Å; F118-F122 HydrophobicContact CD1-CG 3.79Å; F118-F122 HydrophobicContact CE1-CD1 4.25Å; F118-F122 AromaticContact CE1-CD2 3.81Å; F118-F122 HydrophobicContact CE1-CD2 3.81Å; F118-F122 HydrophobicContact CE1-CE1 4.39Å; F118-F122 AromaticContact CE1-CE2 3.97Å; F118-F122 HydrophobicContact CE1-CE2 3.97Å; F118-F122 AromaticContact CE1-CG 3.97Å; F118-F122 HydrophobicContact CE1-CG 3.97Å; F118-F122 HydrophobicContact CE1-CZ 4.26Å; F118-F122 HydrophobicContact CG-CB 4.45Å; F118-F122 HydrophobicContact CG-CD1 4.33Å; F118-F122 HydrophobicContact CG-CG 4.35Å; F118-F122 HydrophobicContact CZ-CE1 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.35Å; F118-F122 HydrophobicContact CZ-CZ 4.23Å
119	N	31.2	Very low	36	Very low	154 Å²	154	101.8 Å²	101.8	82%	0.824	56%	0.559	S	S	*	*			trans	-145.4	144.1	166.8	-163	12.4	0	0	0	109.5	N117	N117-N119 PolarHBondContact O-N 2.95Å
120	S	35.1	Very low	36.2	Very low	104 Å²	104	104.6 Å²	104.6	73%	0.727	57%	0.571	S	S	*	*	S	Bend	trans	65.3	158.4	-161	79.7	0	0	0	0	115.1	F122	S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.4Å
121	G	37.2	Very low	36.7	Very low	63 Å²	63	101.6 Å²	101.6	65%	0.649	57%	0.566	S	S	*	*	S	Bend	trans	63.1	-70.9	178.7	0	0	0	0	0	116.9	K123 I124	G121-K123 VanDerWaalsContact C-N 3.28Å; G121-K123 PolarHBondContact O-N 3.17Å; G121-I124 PolarHBondContact O-N 3.17Å
122	F	37.4	Very low	37.5	Very low	55 Å²	55	97.5 Å²	97.5	24%	0.241	54%	0.539	C	S	.	.	H	α-helix	trans	-61.8	-18.5	-151.1	-140.7	-108.5	0	0	0	117.2	F118 S120 I124 T126 Q166	F118-F122 HydrophobicContact CD1-CB 3.99Å; F118-F122 HydrophobicContact CD1-CD1 4.15Å; F118-F122 HydrophobicContact CD1-CD2 4.04Å; F118-F122 AromaticContact CD1-CG 3.79Å; F118-F122 HydrophobicContact CD1-CG 3.79Å; F118-F122 HydrophobicContact CE1-CD1 4.25Å; F118-F122 AromaticContact CE1-CD2 3.81Å; F118-F122 HydrophobicContact CE1-CD2 3.81Å; F118-F122 HydrophobicContact CE1-CE1 4.39Å; F118-F122 AromaticContact CE1-CE2 3.97Å; F118-F122 HydrophobicContact CE1-CE2 3.97Å; F118-F122 AromaticContact CE1-CG 3.97Å; F118-F122 HydrophobicContact CE1-CG 3.97Å; F118-F122 HydrophobicContact CE1-CZ 4.26Å; F118-F122 HydrophobicContact CG-CB 4.45Å; F118-F122 HydrophobicContact CG-CD1 4.33Å; F118-F122 HydrophobicContact CG-CG 4.35Å; F118-F122 HydrophobicContact CZ-CE1 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.35Å; F118-F122 HydrophobicContact CZ-CZ 4.23Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.4Å; F122-I124 PolarHBondContact O-N 3.38Å; F122-T126 HydrophobicContact CD1-CG2 3.58Å; F122-T126 HydrophobicContact CE1-CG2 3.62Å; F122-T126 WeakPolarHBondContact O-CG2 3.21Å; F122-T126 PolarHBondContact O-N 3.06Å; F122-T126 VanDerWaalsContact O-N 3.1Å; F122-T126 PolarHBondContact O-OG1 3.43Å; F122-Q166 HydrophobicContact CE2-CG 4.34Å; F122-Q166 HydrophobicContact CZ-CG 4.48Å
123	K	38.7	Very low	38.1	Very low	185 Å²	185	94.4 Å²	94.4	80%	0.804	52%	0.522	S	S	*	.	H	α-helix	trans	-68.3	-29.8	-179.6	-83.8	-168.1	172.9	-174.6	0	114.6	G121 T126	G121-K123 VanDerWaalsContact C-N 3.28Å; G121-K123 PolarHBondContact O-N 3.17Å; K123-T126 PolarHBondContact O-OG1 3.37Å
124	I	42	Very low	38.4	Very low	118 Å²	118	95.1 Å²	95.1	61%	0.605	52%	0.517	S	S	*	.	H	α-helix	trans	-78.2	-47.5	178.7	-62.5	175.7	0	0	0	109.1	G121 F122 T126 S127 K128	G121-I124 PolarHBondContact O-N 3.17Å; F122-I124 PolarHBondContact O-N 3.38Å; I124-T126 PolarHBondContact O-N 3.16Å; I124-S127 PolarHBondContact O-N 3.01Å; I124-S127 VanDerWaalsContact O-N 3.15Å; I124-S127 PolarHBondContact O-OG 2.93Å; I124-K128 PolarHBondContact O-N 3.02Å; I124-K128 VanDerWaalsContact O-N 3.08Å
125	Y	43.9	Very low	39	Very low	20 Å²	20	90.8 Å²	90.8	8%	0.078	49%	0.493	C	S	.	.	H	α-helix	trans	-57.2	-48	179.5	-160.6	-83.2	0	0	0	112.2	S127 K128 M129 A156 D169	Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 3.28Å; Y125-K128 PolarHBondContact O-N 3.28Å; Y125-M129 HydrophobicContact CD1-CG 3.86Å; Y125-M129 HydrophobicContact CE1-CE 3.72Å; Y125-M129 HydrophobicContact CE1-CG 3.6Å; Y125-M129 WeakPolarHBondContact O-CB 3.47Å; Y125-M129 PolarHBondContact O-N 2.93Å; Y125-A156 HydrophobicContact CD2-CB 3.89Å; Y125-A156 HydrophobicContact CE2-CB 3.66Å; Y125-A156 WeakPolarHBondContact CE2-O 3.5Å; Y125-D169 HydrophobicContact CE1-CB 4.2Å; Y125-D169 WeakPolarHBondContact CE1-OD1 3.43Å
126	T	39.2	Very low	39.6	Very low	55 Å²	55	82.4 Å²	82.4	34%	0.337	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-38.9	176.1	44.3	0	0	0	0	113.1	F122 K123 I124 M129 I130	F122-T126 HydrophobicContact CD1-CG2 3.58Å; F122-T126 HydrophobicContact CE1-CG2 3.62Å; F122-T126 WeakPolarHBondContact O-CG2 3.21Å; F122-T126 PolarHBondContact O-N 3.06Å; F122-T126 VanDerWaalsContact O-N 3.1Å; F122-T126 PolarHBondContact O-OG1 3.43Å; K123-T126 PolarHBondContact O-OG1 3.37Å; I124-T126 PolarHBondContact O-N 3.16Å; T126-M129 PolarHBondContact O-N 2.96Å; T126-I130 WeakPolarHBondContact O-CD1 3.46Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.36Å; T126-I130 PolarHBondContact O-N 3.07Å
127	S	40.2	Very low	40.1	Very low	65 Å²	65	87.4 Å²	87.4	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-67.6	-36.8	176.9	72.5	0	0	0	0	113.6	I124 Y125 S131	I124-S127 PolarHBondContact O-N 3.01Å; I124-S127 VanDerWaalsContact O-N 3.15Å; I124-S127 PolarHBondContact O-OG 2.93Å; Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 3.28Å; S127-S131 PolarHBondContact O-N 3.14Å; S127-S131 PolarHBondContact O-OG 3.01Å
128	K	46	Very low	40.9	Very low	67 Å²	67	84.2 Å²	84.2	29%	0.291	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-47.1	171	-77.3	-176.7	172.4	-178.8	0	110.9	I124 Y125 I130 S131 I132 A156	I124-K128 PolarHBondContact O-N 3.02Å; I124-K128 VanDerWaalsContact O-N 3.08Å; Y125-K128 PolarHBondContact O-N 3.28Å; K128-I130 PolarHBondContact O-N 3.45Å; K128-S131 WeakPolarHBondContact O-CA 3.49Å; K128-S131 VanDerWaalsContact O-CB 3.29Å; K128-S131 WeakPolarHBondContact O-CB 3.32Å; K128-S131 PolarHBondContact O-N 2.87Å; K128-S131 VanDerWaalsContact O-N 3.1Å; K128-I132 WeakPolarHBondContact O-CG1 3.39Å; K128-I132 PolarHBondContact O-N 3.49Å; K128-A156 HydrophobicContact CD-CB 4.44Å
129	M	45.3	Very low	41.7	Very low	19 Å²	19	80 Å²	80	9%	0.094	45%	0.45	C	S	.	.	H	α-helix	trans	-61.7	-43	-179.5	-87.3	-64	-167.6	0	0	113.4	Y125 T126 S131 I132 S133 D169 T172 L173	Y125-M129 HydrophobicContact CD1-CG 3.86Å; Y125-M129 HydrophobicContact CE1-CE 3.72Å; Y125-M129 HydrophobicContact CE1-CG 3.6Å; Y125-M129 WeakPolarHBondContact O-CB 3.47Å; Y125-M129 PolarHBondContact O-N 2.93Å; T126-M129 PolarHBondContact O-N 2.96Å; M129-S131 PolarHBondContact O-N 3.19Å; M129-I132 WeakPolarHBondContact O-CA 3.22Å; M129-I132 WeakPolarHBondContact O-CB 3.25Å; M129-I132 PolarHBondContact O-N 2.85Å; M129-I132 HydrophobicContact SD-CD1 4.1Å; M129-S133 PolarHBondContact O-N 2.87Å; M129-S133 PolarHBondContact O-OG 3.25Å; M129-D169 HydrophobicContact CE-CB 3.88Å; M129-T172 HydrophobicContact CE-CG2 4.47Å; M129-T172 HydrophobicContact SD-CG2 3.6Å; M129-T172 VanDerWaalsContact SD-CG2 3.6Å; M129-L173 HydrophobicContact CE-CD2 4.33Å; M129-L173 HydrophobicContact CE-CG 4.18Å
130	I	44	Very low	43.1	Very low	120 Å²	120	73.9 Å²	73.9	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-57.4	-37.7	174.6	-70.2	163.6	0	0	0	111	T126 K128 S133 F134	T126-I130 WeakPolarHBondContact O-CD1 3.46Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.36Å; T126-I130 PolarHBondContact O-N 3.07Å; K128-I130 PolarHBondContact O-N 3.45Å; I130-S133 PolarHBondContact O-N 2.92Å; I130-F134 WeakPolarHBondContact O-CB 3.39Å; I130-F134 PolarHBondContact O-N 3.5Å
131	S	46.2	Very low	44.3	Very low	70 Å²	70	76.4 Å²	76.4	49%	0.49	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-36.4	175.9	-50.9	0	0	0	0	112.3	S127 K128 M129 L135	S127-S131 PolarHBondContact O-N 3.14Å; S127-S131 PolarHBondContact O-OG 3.01Å; K128-S131 WeakPolarHBondContact O-CA 3.49Å; K128-S131 VanDerWaalsContact O-CB 3.29Å; K128-S131 WeakPolarHBondContact O-CB 3.32Å; K128-S131 PolarHBondContact O-N 2.87Å; K128-S131 VanDerWaalsContact O-N 3.1Å; M129-S131 PolarHBondContact O-N 3.19Å; S131-L135 WeakPolarHBondContact O-CG 3.34Å; S131-L135 PolarHBondContact O-N 3.24Å; S131-L135 VanDerWaalsContact O-N 3.14Å
132	I	47.8	Very low	45.9	Very low	15 Å²	15	75.8 Å²	75.8	8%	0.077	41%	0.408	C	S	.	.	H	α-helix	trans	-68	-46.2	175.2	-64.4	167	0	0	0	110.4	K128 M129 F134 L135 A136 L149 T172 L176	K128-I132 WeakPolarHBondContact O-CG1 3.39Å; K128-I132 PolarHBondContact O-N 3.49Å; M129-I132 WeakPolarHBondContact O-CA 3.22Å; M129-I132 WeakPolarHBondContact O-CB 3.25Å; M129-I132 PolarHBondContact O-N 2.85Å; M129-I132 HydrophobicContact SD-CD1 4.1Å; I132-F134 PolarHBondContact O-N 3.5Å; I132-L135 PolarHBondContact O-N 3.03Å; I132-A136 PolarHBondContact O-N 2.79Å; I132-L149 HydrophobicContact CG1-CD2 4.26Å; I132-T172 HydrophobicContact CB-CG2 4.49Å; I132-T172 HydrophobicContact CG2-CG2 3.86Å; I132-L176 HydrophobicContact CG2-CD1 4.36Å; I132-L176 HydrophobicContact CG2-CD2 4.26Å
133	S	43.2	Very low	47.6	Very low	52 Å²	52	74.4 Å²	74.4	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-40	177.4	-55.6	0	0	0	0	112.6	M129 I130 A136 E137	M129-S133 PolarHBondContact O-N 2.87Å; M129-S133 PolarHBondContact O-OG 3.25Å; I130-S133 PolarHBondContact O-N 2.92Å; S133-A136 WeakPolarHBondContact O-CB 3.48Å; S133-A136 PolarHBondContact O-N 3.41Å; S133-E137 PolarHBondContact O-N 3.46Å
134	F	40.8	Very low	49.1	Very low	118 Å²	118	68.1 Å²	68.1	52%	0.518	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-31.5	178	-168.2	-100.2	0	0	0	112.9	I130 I132 E137 N138	I130-F134 WeakPolarHBondContact O-CB 3.39Å; I130-F134 PolarHBondContact O-N 3.5Å; I132-F134 PolarHBondContact O-N 3.5Å; F134-E137 PolarHBondContact O-N 3.37Å; F134-N138 PolarHBondContact O-ND2 3.01Å
135	L	43.9	Very low	50.6	Low	58 Å²	58	65.6 Å²	65.6	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-72.4	-34.8	171.2	-74.1	170.3	0	0	0	112.1	S131 I132 E137 N138 G139 L149	S131-L135 WeakPolarHBondContact O-CG 3.34Å; S131-L135 PolarHBondContact O-N 3.24Å; S131-L135 VanDerWaalsContact O-N 3.14Å; I132-L135 PolarHBondContact O-N 3.03Å; L135-E137 PolarHBondContact O-N 3.47Å; L135-N138 PolarHBondContact O-N 2.91Å; L135-N138 VanDerWaalsContact O-N 3.13Å; L135-G139 PolarHBondContact O-N 3.29Å; L135-G139 VanDerWaalsContact O-N 3.17Å; L135-L149 HydrophobicContact CD1-CD1 4.2Å; L135-L149 HydrophobicContact CD1-CD2 3.84Å
136	A	42.2	Very low	52.2	Low	34 Å²	34	64.6 Å²	64.6	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-24.8	174.5	0	0	0	0	0	113.3	I132 S133 L179	I132-A136 PolarHBondContact O-N 2.79Å; S133-A136 WeakPolarHBondContact O-CB 3.48Å; S133-A136 PolarHBondContact O-N 3.41Å; A136-L179 HydrophobicContact CB-CD1 3.49Å; A136-L179 VanDerWaalsContact CB-CD1 3.49Å
137	E	38.9	Very low	54.1	Low	163 Å²	163	62.2 Å²	62.2	76%	0.762	35%	0.353	S	S	*	.	H	α-helix	trans	-84.1	-22.5	177.7	-145.8	167.8	-160.4	0	0	113.6	S133 F134 L135	S133-E137 PolarHBondContact O-N 3.46Å; F134-E137 PolarHBondContact O-N 3.37Å; L135-E137 PolarHBondContact O-N 3.47Å
138	N	43.8	Very low	55.9	Low	111 Å²	111	61.9 Å²	61.9	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-102.3	-13.3	-175.2	-75.6	-80.7	0	0	0	114.6	F134 L135	F134-N138 PolarHBondContact O-ND2 3.01Å; L135-N138 PolarHBondContact O-N 2.91Å; L135-N138 VanDerWaalsContact O-N 3.13Å
139	G	48.6	Very low	57.3	Low	33 Å²	33	59.8 Å²	59.8	34%	0.34	35%	0.347	S	S	.	.			trans	92.9	171	-176.1	0	0	0	0	0	113.4	L135	L135-G139 PolarHBondContact O-N 3.29Å; L135-G139 VanDerWaalsContact O-N 3.17Å
140	L	60.6	Low	59.2	Low	26 Å²	26	58.9 Å²	58.9	14%	0.136	34%	0.342	C	S	.	.			trans	-133.3	78.3	-168.1	-171	53.8	0	0	0	111	S142 Q145 A146 L149 T180 V183	L140-S142 PolarHBondContact O-N 3.47Å; L140-S142 VanDerWaalsContact O-N 3.17Å; L140-Q145 HydrophobicContact CD1-CB 3.95Å; L140-Q145 HydrophobicContact CD1-CG 3.61Å; L140-A146 HydrophobicContact CD2-CB 3.73Å; L140-A146 HydrophobicContact CG-CB 4.13Å; L140-L149 HydrophobicContact CD1-CD1 3.8Å; L140-L149 HydrophobicContact CD2-CD1 4.41Å; L140-T180 HydrophobicContact CD2-CG2 3.58Å; L140-V183 HydrophobicContact CB-CG2 4.2Å; L140-V183 HydrophobicContact CD2-CG2 3.89Å; L140-V183 HydrophobicContact CG-CG2 3.92Å
141	D	59.9	Low	61.1	Low	157 Å²	157	55.3 Å²	55.3	84%	0.84	32%	0.324	S	S	*	.			trans	-72.6	-5.7	-166.7	-65.5	-20.4	0	0	0	115.3
142	S	70.6	Confident	62.5	Low	50 Å²	50	53.5 Å²	53.5	35%	0.35	31%	0.314	S	S	.	.			trans	-145.6	140.8	-179.2	73.7	0	0	0	0	114.9	L140 A144 Q145 A146	L140-S142 PolarHBondContact O-N 3.47Å; L140-S142 VanDerWaalsContact O-N 3.17Å; S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 3.08Å; S142-Q145 WeakPolarHBondContact O-CB 3.09Å; S142-Q145 PolarHBondContact O-N 3.32Å; S142-Q145 WeakPolarHBondContact OG-CB 3.46Å; S142-Q145 PolarHBondContact OG-N 3.41Å; S142-A146 PolarHBondContact O-N 2.76Å
143	L	73	Confident	64	Low	26 Å²	26	53 Å²	53	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-30.1	-178.4	-159.9	143.7	0	0	0	112.8	A146 A147 V183 N198 I199 L202 F246	L143-A146 WeakPolarHBondContact O-CB 3.5Å; L143-A146 PolarHBondContact O-N 3.25Å; L143-A147 PolarHBondContact O-N 3.45Å; L143-V183 HydrophobicContact CB-CG1 4.41Å; L143-N198 HydrophobicContact CD2-CB 3.74Å; L143-N198 WeakPolarHBondContact CD2-O 3.43Å; L143-I199 HydrophobicContact CD1-CD1 4.36Å; L143-I199 HydrophobicContact CD1-CG1 3.61Å; L143-I199 HydrophobicContact CD2-CG1 3.88Å; L143-I199 HydrophobicContact CG-CG1 4.43Å; L143-L202 HydrophobicContact CD1-CD2 4.17Å; L143-L202 HydrophobicContact CD2-CB 4.08Å; L143-L202 HydrophobicContact CD2-CD2 4.16Å; L143-L202 HydrophobicContact CG-CD2 4Å; L143-F246 HydrophobicContact CD1-CE1 3.59Å; L143-F246 HydrophobicContact CD1-CZ 3.88Å
144	A	70.6	Confident	66	Low	53 Å²	53	51.6 Å²	51.6	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-38	173.3	0	0	0	0	0	112.5	S142 A147 A148	S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 3.08Å; A144-A147 PolarHBondContact O-N 3.5Å; A144-A148 VanDerWaalsContact O-CB 3.32Å; A144-A148 WeakPolarHBondContact O-CB 3.33Å; A144-A148 PolarHBondContact O-N 2.82Å
145	Q	73.3	Confident	67.8	Low	65 Å²	65	50.2 Å²	50.2	30%	0.304	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-38.5	173.6	-173.5	-177.1	-0.8	0	0	111	L140 S142 A148 L149	L140-Q145 HydrophobicContact CD1-CB 3.95Å; L140-Q145 HydrophobicContact CD1-CG 3.61Å; S142-Q145 WeakPolarHBondContact O-CB 3.09Å; S142-Q145 PolarHBondContact O-N 3.32Å; S142-Q145 WeakPolarHBondContact OG-CB 3.46Å; S142-Q145 PolarHBondContact OG-N 3.41Å; Q145-A148 PolarHBondContact O-N 3.44Å; Q145-L149 HydrophobicContact CG-CD1 4.38Å; Q145-L149 WeakPolarHBondContact O-CB 3.22Å; Q145-L149 VanDerWaalsContact O-CG 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.27Å; Q145-L149 PolarHBondContact O-N 3.37Å
146	A	77.9	Confident	69.1	Low	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-47.9	173.5	0	0	0	0	0	112.6	L140 S142 L143 A148 L149 L150 T180 V183 L202	L140-A146 HydrophobicContact CD2-CB 3.73Å; L140-A146 HydrophobicContact CG-CB 4.13Å; S142-A146 PolarHBondContact O-N 2.76Å; L143-A146 WeakPolarHBondContact O-CB 3.5Å; L143-A146 PolarHBondContact O-N 3.25Å; A146-A148 PolarHBondContact O-N 3.2Å; A146-L149 PolarHBondContact O-N 2.93Å; A146-L150 WeakPolarHBondContact O-CG 3.41Å; A146-L150 PolarHBondContact O-N 2.94Å; A146-L150 VanDerWaalsContact O-N 3.1Å; A146-T180 HydrophobicContact CB-CG2 4.02Å; A146-V183 HydrophobicContact CB-CG2 4.23Å; A146-L202 HydrophobicContact CB-CD1 3.53Å
147	A	79.9	Confident	70.6	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-42.6	176.2	0	0	0	0	0	112.1	L143 A144 L149 L150 N151 L202	L143-A147 PolarHBondContact O-N 3.45Å; A144-A147 PolarHBondContact O-N 3.5Å; A147-L149 PolarHBondContact O-N 3.27Å; A147-L150 PolarHBondContact O-N 3.36Å; A147-N151 VanDerWaalsContact O-CB 3.3Å; A147-N151 WeakPolarHBondContact O-CB 3.42Å; A147-N151 PolarHBondContact O-N 3.41Å; A147-L202 HydrophobicContact CB-CB 4.36Å; A147-L202 HydrophobicContact CB-CD1 4.17Å
148	A	77	Confident	72.4	Confident	58 Å²	58	46.1 Å²	46.1	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-38.1	177.5	0	0	0	0	0	113.1	A144 Q145 A146 A152	A144-A148 VanDerWaalsContact O-CB 3.32Å; A144-A148 WeakPolarHBondContact O-CB 3.33Å; A144-A148 PolarHBondContact O-N 2.82Å; Q145-A148 PolarHBondContact O-N 3.44Å; A146-A148 PolarHBondContact O-N 3.2Å; A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.89Å
149	L	76.9	Confident	73.5	Confident	24 Å²	24	47.1 Å²	47.1	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-47.6	175.4	-73.6	168.8	0	0	0	111.7	I132 L135 L140 Q145 A146 A147 N151 A152 S153 L176	I132-L149 HydrophobicContact CG1-CD2 4.26Å; L135-L149 HydrophobicContact CD1-CD1 4.2Å; L135-L149 HydrophobicContact CD1-CD2 3.84Å; L140-L149 HydrophobicContact CD1-CD1 3.8Å; L140-L149 HydrophobicContact CD2-CD1 4.41Å; Q145-L149 HydrophobicContact CG-CD1 4.38Å; Q145-L149 WeakPolarHBondContact O-CB 3.22Å; Q145-L149 VanDerWaalsContact O-CG 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.27Å; Q145-L149 PolarHBondContact O-N 3.37Å; A146-L149 PolarHBondContact O-N 2.93Å; A147-L149 PolarHBondContact O-N 3.27Å; L149-N151 PolarHBondContact O-N 2.83Å; L149-A152 PolarHBondContact O-N 3.34Å; L149-S153 PolarHBondContact O-N 3.41Å; L149-S153 PolarHBondContact O-OG 3.46Å; L149-L176 HydrophobicContact CB-CD1 4.35Å; L149-L176 HydrophobicContact CD1-CD1 4.35Å
150	L	83.8	Confident	74.2	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-40.4	178.8	-66.5	167	0	0	0	111.7	A146 A147 S153 I154 L176 L177 T180 L202 H205 F206 V209	A146-L150 WeakPolarHBondContact O-CG 3.41Å; A146-L150 PolarHBondContact O-N 2.94Å; A146-L150 VanDerWaalsContact O-N 3.1Å; A147-L150 PolarHBondContact O-N 3.36Å; L150-S153 WeakPolarHBondContact O-CB 3.23Å; L150-S153 PolarHBondContact O-N 2.69Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.86Å; L150-L176 HydrophobicContact CD2-CD2 4.04Å; L150-L176 HydrophobicContact CD2-CG 4.15Å; L150-L177 HydrophobicContact CD2-CD2 4.08Å; L150-T180 HydrophobicContact CD1-CG2 4.14Å; L150-T180 HydrophobicContact CD2-CG2 4.38Å; L150-T180 HydrophobicContact CG-CG2 4.2Å; L150-L202 HydrophobicContact CD1-CD1 3.89Å; L150-L202 HydrophobicContact CD1-CG 4.48Å; L150-H205 HydrophobicContact CB-CB 3.73Å; L150-F206 HydrophobicContact CD1-CB 4.01Å; L150-F206 HydrophobicContact CD1-CD2 4.16Å; L150-V209 HydrophobicContact CD2-CB 4.42Å; L150-V209 HydrophobicContact CD2-CG2 4.12Å
151	N	83.4	Confident	74.1	Confident	45 Å²	45	54 Å²	54	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-45.8	173.1	-168.2	-22.6	0	0	0	111.4	A147 L149 S153 I154 Q155 H205	A147-N151 VanDerWaalsContact O-CB 3.3Å; A147-N151 WeakPolarHBondContact O-CB 3.42Å; A147-N151 PolarHBondContact O-N 3.41Å; L149-N151 PolarHBondContact O-N 2.83Å; N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 PolarHBondContact O-N 3.11Å; N151-I154 PolarHBondContact O-N 3.43Å; N151-I154 VanDerWaalsContact O-N 3.16Å; N151-Q155 WeakPolarHBondContact O-CG 3.29Å; N151-Q155 PolarHBondContact O-N 2.9Å; N151-Q155 PolarHBondContact OD1-NE2 3.17Å; N151-H205 PolarHBondContact ND2-CE1 2.84Å
152	A	76.5	Confident	73.9	Confident	32 Å²	32	55.9 Å²	55.9	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-30.5	176.3	0	0	0	0	0	113.6	A148 L149 A156	A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.89Å; L149-A152 PolarHBondContact O-N 3.34Å; A152-A156 WeakPolarHBondContact O-CB 3.35Å; A152-A156 PolarHBondContact O-N 3.13Å
153	S	80.3	Confident	73.4	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.028	32%	0.32	C	S	.	.	H	α-helix	trans	-69.1	-43.2	170.6	-67.6	0	0	0	0	112.3	L149 L150 N151 A156 M157	L149-S153 PolarHBondContact O-N 3.41Å; L149-S153 PolarHBondContact O-OG 3.46Å; L150-S153 WeakPolarHBondContact O-CB 3.23Å; L150-S153 PolarHBondContact O-N 2.69Å; N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 PolarHBondContact O-N 3.11Å; S153-A156 PolarHBondContact O-N 3.2Å; S153-M157 WeakPolarHBondContact O-CG 3.5Å; S153-M157 PolarHBondContact O-N 3.04Å
154	I	83.3	Confident	73.2	Confident	22 Å²	22	59.7 Å²	59.7	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-51.3	177.1	-67.4	161.9	0	0	0	110.6	L150 N151 A156 M157 E158 H205 V209	L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.86Å; N151-I154 PolarHBondContact O-N 3.43Å; N151-I154 VanDerWaalsContact O-N 3.16Å; I154-A156 PolarHBondContact O-N 3.16Å; I154-M157 HydrophobicContact CG1-CE 4.23Å; I154-M157 PolarHBondContact O-N 3.28Å; I154-E158 PolarHBondContact O-N 3.45Å; I154-H205 HydrophobicContact CD1-CB 3.75Å; I154-H205 VanDerWaalsContact CD1-CD2 3.47Å; I154-H205 WeakPolarHBondContact CD1-CD2 3.45Å; I154-V209 HydrophobicContact CD1-CG2 4.19Å; I154-V209 HydrophobicContact CG1-CG2 3.71Å
155	Q	78.6	Confident	73.5	Confident	89 Å²	89	58 Å²	58	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-55.8	-39.8	176.4	-66.8	173	18.1	0	0	112	N151 M157 E158 D159	N151-Q155 WeakPolarHBondContact O-CG 3.29Å; N151-Q155 PolarHBondContact O-N 2.9Å; N151-Q155 PolarHBondContact OD1-NE2 3.17Å; Q155-M157 VanDerWaalsContact C-N 3.35Å; Q155-M157 PolarHBondContact O-N 3.44Å; Q155-E158 PolarHBondContact O-N 3.32Å; Q155-D159 WeakPolarHBondContact O-CB 3.3Å; Q155-D159 PolarHBondContact O-N 3.12Å
156	A	71.6	Confident	73.7	Confident	6 Å²	6	58.1 Å²	58.1	5%	0.05	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-29.9	178.1	0	0	0	0	0	113.2	Y125 K128 A152 S153 I154 T160	Y125-A156 HydrophobicContact CD2-CB 3.89Å; Y125-A156 HydrophobicContact CE2-CB 3.66Å; Y125-A156 WeakPolarHBondContact CE2-O 3.5Å; K128-A156 HydrophobicContact CD-CB 4.44Å; A152-A156 WeakPolarHBondContact O-CB 3.35Å; A152-A156 PolarHBondContact O-N 3.13Å; S153-A156 PolarHBondContact O-N 3.2Å; I154-A156 PolarHBondContact O-N 3.16Å; A156-T160 WeakPolarHBondContact O-CB 3.32Å; A156-T160 PolarHBondContact O-N 3.21Å; A156-T160 PolarHBondContact O-OG1 3.21Å
157	M	75.1	Confident	73.6	Confident	30 Å²	30	60.1 Å²	60.1	15%	0.148	32%	0.323	C	S	.	.	H	α-helix	trans	-73.2	-40.3	172.3	-68	-174.9	-62	0	0	111.5	S153 I154 Q155 T160 Q161 L165 L173 V209	S153-M157 WeakPolarHBondContact O-CG 3.5Å; S153-M157 PolarHBondContact O-N 3.04Å; I154-M157 HydrophobicContact CG1-CE 4.23Å; I154-M157 PolarHBondContact O-N 3.28Å; Q155-M157 VanDerWaalsContact C-N 3.35Å; Q155-M157 PolarHBondContact O-N 3.44Å; M157-T160 CarbonylContact O-C 3.57Å; M157-T160 PolarHBondContact O-N 3.28Å; M157-T160 VanDerWaalsContact O-N 3.15Å; M157-Q161 PolarHBondContact O-N 2.05Å; M157-L165 HydrophobicContact CG-CD2 4.09Å; M157-L165 HydrophobicContact SD-CD1 4.05Å; M157-L165 HydrophobicContact SD-CD2 3.93Å; M157-L165 HydrophobicContact SD-CG 4.26Å; M157-L173 HydrophobicContact SD-CD1 3.99Å; M157-V209 HydrophobicContact CE-CG2 4.2Å
158	E	75.8	Confident	73	Confident	133 Å²	133	62.7 Å²	62.7	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-44.4	173.8	-67.3	-174.9	143.6	0	0	111.9	I154 Q155 T160 Q161	I154-E158 PolarHBondContact O-N 3.45Å; Q155-E158 PolarHBondContact O-N 3.32Å; E158-T160 PolarHBondContact O-N 3.27Å; E158-T160 VanDerWaalsContact O-N 3.13Å; E158-Q161 WeakPolarHBondContact O-CB 3.42Å; E158-Q161 PolarHBondContact O-N 3.37Å
159	D	68	Low	73	Confident	132 Å²	132	60.6 Å²	60.6	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.2	173.8	-80.9	-27.8	0	0	0	113.2	Q155	Q155-D159 WeakPolarHBondContact O-CB 3.3Å; Q155-D159 PolarHBondContact O-N 3.12Å
160	T	62.3	Low	73	Confident	32 Å²	32	59.4 Å²	59.4	20%	0.196	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	17.7	-171.3	-41.2	0	0	0	0	112.9	A156 M157 E158 Q162 D163 G164	A156-T160 WeakPolarHBondContact O-CB 3.32Å; A156-T160 PolarHBondContact O-N 3.21Å; A156-T160 PolarHBondContact O-OG1 3.21Å; M157-T160 CarbonylContact O-C 3.57Å; M157-T160 PolarHBondContact O-N 3.28Å; M157-T160 VanDerWaalsContact O-N 3.15Å; E158-T160 PolarHBondContact O-N 3.27Å; E158-T160 VanDerWaalsContact O-N 3.13Å; T160-Q162 PolarHBondContact O-N 2.99Å; T160-D163 HydrophobicContact CG2-CB 4.39Å; T160-D163 PolarHBondContact O-N 3.22Å; T160-D163 VanDerWaalsContact O-N 3.16Å; T160-G164 PolarHBondContact O-N 2.62Å; T160-G164 VanDerWaalsContact O-N 3.07Å
161	Q	57.9	Low	72.7	Confident	171 Å²	171	60 Å²	60	80%	0.799	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.6	-172.1	-171.2	173.4	67.4	0	0	115.9	M157 E158	M157-Q161 PolarHBondContact O-N 2.05Å; E158-Q161 WeakPolarHBondContact O-CB 3.42Å; E158-Q161 PolarHBondContact O-N 3.37Å
162	Q	55.9	Low	72.3	Confident	198 Å²	198	59 Å²	59	93%	0.925	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-30.5	176.6	-70.5	-166.7	-74.7	0	0	115.1	T160	T160-Q162 PolarHBondContact O-N 2.99Å
163	D	59.6	Low	72.6	Confident	129 Å²	129	57.5 Å²	57.5	69%	0.69	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-26	-178.4	-67.4	-43.7	0	0	0	112.3	T160	T160-D163 HydrophobicContact CG2-CB 4.39Å; T160-D163 PolarHBondContact O-N 3.22Å; T160-D163 VanDerWaalsContact O-N 3.16Å
164	G	69.8	Low	72.8	Confident	26 Å²	26	57.5 Å²	57.5	27%	0.268	31%	0.305	S	S	.	.			trans	71.6	167.8	179.1	0	0	0	0	0	114.8	T160 Q166	T160-G164 PolarHBondContact O-N 2.62Å; T160-G164 VanDerWaalsContact O-N 3.07Å; G164-Q166 PolarHBondContact O-N 2.82Å; G164-Q166 PolarHBondContact O-NE2 3.37Å; G164-Q166 VanDerWaalsContact O-NE2 3.11Å
165	L	76.9	Confident	72.6	Confident	19 Å²	19	60.2 Å²	60.2	10%	0.099	32%	0.317	C	S	.	.			trans	-52.1	133.7	177.4	-77.8	166.1	0	0	0	111.6	M157 D169 M170 L173 S212 K221	M157-L165 HydrophobicContact CG-CD2 4.09Å; M157-L165 HydrophobicContact SD-CD1 4.05Å; M157-L165 HydrophobicContact SD-CD2 3.93Å; M157-L165 HydrophobicContact SD-CG 4.26Å; L165-D169 HydrophobicContact CD2-CB 3.95Å; L165-M170 HydrophobicContact CB-CG 4.3Å; L165-L173 HydrophobicContact CD2-CD1 3.61Å; L165-S212 WeakPolarHBondContact CD1-O 3.43Å; L165-K221 WeakPolarHBondContact O-CD 3.21Å; L165-K221 VanDerWaalsContact O-CE 3.3Å; L165-K221 WeakPolarHBondContact O-CE 3.28Å; L165-K221 PolarHBondContact O-NZ 3.47Å
166	Q	77.8	Confident	72.8	Confident	67 Å²	67	56.3 Å²	56.3	31%	0.313	30%	0.299	S	S	.	.			trans	-93.4	159.2	171.5	-58.4	-59	-58.7	0	0	111.3	F122 G164 A168 D169 M170	F122-Q166 HydrophobicContact CE2-CG 4.34Å; F122-Q166 HydrophobicContact CZ-CG 4.48Å; G164-Q166 PolarHBondContact O-N 2.82Å; G164-Q166 PolarHBondContact O-NE2 3.37Å; G164-Q166 VanDerWaalsContact O-NE2 3.11Å; Q166-A168 VanDerWaalsContact C-N 3.27Å; Q166-A168 PolarHBondContact O-N 3.15Å; Q166-D169 VanDerWaalsContact CB-OD2 3.28Å; Q166-D169 WeakPolarHBondContact CB-OD2 3.06Å; Q166-D169 PolarHBondContact N-OD2 3.1Å; Q166-D169 WeakPolarHBondContact O-CB 3.11Å; Q166-D169 PolarHBondContact O-N 2.81Å; Q166-M170 PolarHBondContact O-N 3.08Å; Q166-M170 VanDerWaalsContact O-N 3.16Å
167	P	74.7	Confident	73.5	Confident	41 Å²	41	56 Å²	56	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-50.6	-41.7	176.5	-31.9	38	0	0	0	114.3	M170 V171 K221 A224 I225	P167-M170 PolarHBondContact O-N 2.94Å; P167-V171 PolarHBondContact O-N 2.76Å; P167-K221 HydrophobicContact CG-CB 4.38Å; P167-A224 HydrophobicContact CB-CB 4.23Å; P167-A224 HydrophobicContact CG-CB 4.07Å; P167-I225 HydrophobicContact CB-CG2 3.65Å; P167-I225 WeakPolarHBondContact O-CG2 3.44Å
168	A	68.8	Low	74	Confident	58 Å²	58	57.3 Å²	57.3	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-42	177.7	0	0	0	0	0	112.4	Q166 M170 V171 T172	Q166-A168 VanDerWaalsContact C-N 3.27Å; Q166-A168 PolarHBondContact O-N 3.15Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.84Å; A168-V171 PolarHBondContact O-N 2.99Å; A168-T172 PolarHBondContact O-N 3.32Å
169	D	75.3	Confident	74.2	Confident	14 Å²	14	53.9 Å²	53.9	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-41.1	-179.3	-48.3	-31.2	0	0	0	111	Y125 M129 L165 Q166 V171 T172 L173	Y125-D169 HydrophobicContact CE1-CB 4.2Å; Y125-D169 WeakPolarHBondContact CE1-OD1 3.43Å; M129-D169 HydrophobicContact CE-CB 3.88Å; L165-D169 HydrophobicContact CD2-CB 3.95Å; Q166-D169 VanDerWaalsContact CB-OD2 3.28Å; Q166-D169 WeakPolarHBondContact CB-OD2 3.06Å; Q166-D169 PolarHBondContact N-OD2 3.1Å; Q166-D169 WeakPolarHBondContact O-CB 3.11Å; Q166-D169 PolarHBondContact O-N 2.81Å; D169-V171 VanDerWaalsContact C-N 3.34Å; D169-V171 PolarHBondContact O-N 2.86Å; D169-T172 PolarHBondContact O-N 2.91Å; D169-L173 WeakPolarHBondContact O-CB 3.46Å; D169-L173 VanDerWaalsContact O-CG 3.32Å; D169-L173 WeakPolarHBondContact O-CG 3.35Å; D169-L173 PolarHBondContact O-N 2.91Å
170	M	78.6	Confident	74.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-43.5	177.1	-67	173.3	66.2	0	0	111.5	L165 Q166 P167 A168 T172 L173 I174 I213 N218 K221 W222 I225	L165-M170 HydrophobicContact CB-CG 4.3Å; Q166-M170 PolarHBondContact O-N 3.08Å; Q166-M170 VanDerWaalsContact O-N 3.16Å; P167-M170 PolarHBondContact O-N 2.94Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.84Å; M170-T172 PolarHBondContact O-N 2.99Å; M170-L173 PolarHBondContact O-N 3.14Å; M170-I174 WeakPolarHBondContact O-CB 3.49Å; M170-I174 WeakPolarHBondContact O-CD1 3.14Å; M170-I174 WeakPolarHBondContact O-CG1 3.33Å; M170-I174 PolarHBondContact O-N 2.83Å; M170-I213 HydrophobicContact CE-CG2 4.17Å; M170-N218 HydrophobicContact CE-CB 3.92Å; M170-N218 HydrophobicContact SD-CB 4.23Å; M170-K221 HydrophobicContact CE-CB 4.37Å; M170-K221 HydrophobicContact SD-CB 3.56Å; M170-K221 VanDerWaalsContact SD-CB 3.56Å; M170-K221 HydrophobicContact SD-CD 4.01Å; M170-K221 HydrophobicContact SD-CG 4.46Å; M170-W222 HydrophobicContact CE-CD2 3.89Å; M170-W222 HydrophobicContact CE-CG 3.89Å; M170-W222 HydrophobicContact CE-CZ2 4.33Å; M170-W222 VanDerWaalsContact CE-NE1 3.35Å; M170-I225 HydrophobicContact CB-CD1 3.98Å; M170-I225 HydrophobicContact CE-CD1 4.09Å
171	V	76.8	Confident	76	Confident	12 Å²	12	46.1 Å²	46.1	7%	0.073	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-45.3	177.6	177.4	0	0	0	0	111.1	P167 A168 D169 I174 Q175 I225 V228 V229	P167-V171 PolarHBondContact O-N 2.76Å; A168-V171 PolarHBondContact O-N 2.99Å; D169-V171 VanDerWaalsContact C-N 3.34Å; D169-V171 PolarHBondContact O-N 2.86Å; V171-I174 PolarHBondContact O-N 2.87Å; V171-Q175 WeakPolarHBondContact O-CG 3.43Å; V171-Q175 PolarHBondContact O-N 2.59Å; V171-I225 HydrophobicContact CG2-CB 4.02Å; V171-I225 HydrophobicContact CG2-CD1 4.32Å; V171-I225 HydrophobicContact CG2-CG2 3.87Å; V171-V228 HydrophobicContact CG1-CG1 3.96Å; V171-V228 HydrophobicContact CG2-CG1 4.24Å; V171-V229 HydrophobicContact CG1-CG1 4.26Å; V171-V229 HydrophobicContact CG2-CG1 4.24Å
172	T	75.6	Confident	76.9	Confident	23 Å²	23	41.3 Å²	41.3	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-36.5	178.4	-54.3	0	0	0	0	112.5	M129 I132 A168 D169 M170 Q175 L176	M129-T172 HydrophobicContact CE-CG2 4.47Å; M129-T172 HydrophobicContact SD-CG2 3.6Å; M129-T172 VanDerWaalsContact SD-CG2 3.6Å; I132-T172 HydrophobicContact CB-CG2 4.49Å; I132-T172 HydrophobicContact CG2-CG2 3.86Å; A168-T172 PolarHBondContact O-N 3.32Å; D169-T172 PolarHBondContact O-N 2.91Å; M170-T172 PolarHBondContact O-N 2.99Å; T172-Q175 PolarHBondContact O-N 3.31Å; T172-L176 WeakPolarHBondContact O-CB 3.24Å; T172-L176 PolarHBondContact O-N 2.95Å
173	L	82.8	Confident	78.1	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-37.9	174.9	-67.8	174.6	0	0	0	112.3	M129 M157 L165 D169 M170 Q175 L176 L177 V209 I213	M129-L173 HydrophobicContact CE-CD2 4.33Å; M129-L173 HydrophobicContact CE-CG 4.18Å; M157-L173 HydrophobicContact SD-CD1 3.99Å; L165-L173 HydrophobicContact CD2-CD1 3.61Å; D169-L173 WeakPolarHBondContact O-CB 3.46Å; D169-L173 VanDerWaalsContact O-CG 3.32Å; D169-L173 WeakPolarHBondContact O-CG 3.35Å; D169-L173 PolarHBondContact O-N 2.91Å; M170-L173 PolarHBondContact O-N 3.14Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-L176 HydrophobicContact CD2-CD2 4.43Å; L173-L176 PolarHBondContact O-N 3.24Å; L173-L177 WeakPolarHBondContact O-CG 3.3Å; L173-L177 PolarHBondContact O-N 2.57Å; L173-V209 HydrophobicContact CB-CG1 4.41Å; L173-V209 HydrophobicContact CD2-CG1 4.19Å; L173-I213 HydrophobicContact CB-CD1 3.74Å; L173-I213 HydrophobicContact CB-CG1 4.25Å; L173-I213 HydrophobicContact CD1-CG1 4.36Å
174	I	83.4	Confident	78.4	Confident	4 Å²	4	31 Å²	31	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-40.7	174.5	-67	161.5	0	0	0	110.8	M170 V171 L177 T178 I213 W222 I225 V229 D234 V235	M170-I174 WeakPolarHBondContact O-CB 3.49Å; M170-I174 WeakPolarHBondContact O-CD1 3.14Å; M170-I174 WeakPolarHBondContact O-CG1 3.33Å; M170-I174 PolarHBondContact O-N 2.83Å; V171-I174 PolarHBondContact O-N 2.87Å; I174-L177 PolarHBondContact O-N 2.76Å; I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.02Å; I174-I213 HydrophobicContact CD1-CG2 4.4Å; I174-I213 HydrophobicContact CG1-CD1 4.33Å; I174-I213 HydrophobicContact CG1-CG2 4.24Å; I174-W222 HydrophobicContact CD1-CH2 3.51Å; I174-W222 HydrophobicContact CD1-CZ2 4.27Å; I174-W222 HydrophobicContact CD1-CZ3 3.88Å; I174-W222 HydrophobicContact CG1-CH2 4.39Å; I174-I225 HydrophobicContact CD1-CD1 4.3Å; I174-V229 HydrophobicContact CD1-CB 4.46Å; I174-V229 HydrophobicContact CD1-CG1 4.21Å; I174-V229 HydrophobicContact CD1-CG2 4.18Å; I174-V229 HydrophobicContact CG2-CG1 4.36Å; I174-D234 HydrophobicContact CG2-CB 4.48Å; I174-V235 HydrophobicContact CG1-CG2 4.06Å
175	Q	79.4	Confident	77.9	Confident	79 Å²	79	32.6 Å²	32.6	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-63.8	-42.6	172.6	-71.1	170.7	-3.9	0	0	111.9	V171 T172 L173 T178 L179	V171-Q175 WeakPolarHBondContact O-CG 3.43Å; V171-Q175 PolarHBondContact O-N 2.59Å; T172-Q175 PolarHBondContact O-N 3.31Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; Q175-T178 WeakPolarHBondContact O-CB 3.31Å; Q175-T178 PolarHBondContact O-N 3.44Å; Q175-L179 WeakPolarHBondContact O-CG 3.47Å; Q175-L179 PolarHBondContact O-N 2.84Å
176	L	82.5	Confident	76.5	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-42.4	175.8	-178.8	62.9	0	0	0	112	I132 L149 L150 T172 L173 T178 L179 T180	I132-L176 HydrophobicContact CG2-CD1 4.36Å; I132-L176 HydrophobicContact CG2-CD2 4.26Å; L149-L176 HydrophobicContact CB-CD1 4.35Å; L149-L176 HydrophobicContact CD1-CD1 4.35Å; L150-L176 HydrophobicContact CD2-CD2 4.04Å; L150-L176 HydrophobicContact CD2-CG 4.15Å; T172-L176 WeakPolarHBondContact O-CB 3.24Å; T172-L176 PolarHBondContact O-N 2.95Å; L173-L176 HydrophobicContact CD2-CD2 4.43Å; L173-L176 PolarHBondContact O-N 3.24Å; L176-T178 VanDerWaalsContact C-N 3.35Å; L176-L179 PolarHBondContact O-N 2.77Å; L176-T180 HydrophobicContact CD1-CG2 3.86Å; L176-T180 HydrophobicContact CG-CG2 4.26Å; L176-T180 WeakPolarHBondContact O-CB 3.39Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.26Å; L176-T180 PolarHBondContact O-N 3.04Å; L176-T180 PolarHBondContact O-OG1 3.44Å
177	L	87.4	Confident	75	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-39.6	174	-70.4	-178.3	0	0	0	111.9	L150 L173 I174 T180 A181 F206 V209 A210 I213 V235	L150-L177 HydrophobicContact CD2-CD2 4.08Å; L173-L177 WeakPolarHBondContact O-CG 3.3Å; L173-L177 PolarHBondContact O-N 2.57Å; I174-L177 PolarHBondContact O-N 2.76Å; L177-T180 WeakPolarHBondContact CA-OG1 3.21Å; L177-T180 PolarHBondContact O-OG1 2.69Å; L177-A181 VanDerWaalsContact O-CB 3.28Å; L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 3.49Å; L177-F206 HydrophobicContact CB-CE2 4.26Å; L177-F206 HydrophobicContact CB-CZ 3.97Å; L177-F206 HydrophobicContact CD2-CD1 3.87Å; L177-F206 HydrophobicContact CD2-CD2 3.79Å; L177-F206 HydrophobicContact CD2-CE1 3.84Å; L177-F206 HydrophobicContact CD2-CE2 3.79Å; L177-F206 HydrophobicContact CD2-CG 3.84Å; L177-F206 HydrophobicContact CD2-CZ 3.81Å; L177-F206 HydrophobicContact CG-CZ 4.42Å; L177-F206 VanDerWaalsContact O-CE2 3.26Å; L177-F206 WeakPolarHBondContact O-CE2 3.38Å; L177-F206 WeakPolarHBondContact O-CZ 3.37Å; L177-V209 HydrophobicContact CD1-CG1 4.29Å; L177-V209 HydrophobicContact CD2-CB 4.16Å; L177-V209 HydrophobicContact CD2-CG1 3.93Å; L177-V209 HydrophobicContact CG-CG1 4.14Å; L177-A210 HydrophobicContact CD1-CB 3.93Å; L177-I213 HydrophobicContact CD1-CD1 3.59Å; L177-I213 HydrophobicContact CG-CD1 4.46Å; L177-V235 HydrophobicContact CD1-CG1 4.12Å
178	T	84.7	Confident	73.1	Confident	56 Å²	56	44.1 Å²	44.1	34%	0.344	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-46.2	176.3	-54.4	0	0	0	0	111.2	I174 Q175 L176	I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.02Å; Q175-T178 WeakPolarHBondContact O-CB 3.31Å; Q175-T178 PolarHBondContact O-N 3.44Å; L176-T178 VanDerWaalsContact C-N 3.35Å
179	L	80.9	Confident	71.8	Confident	62 Å²	62	49.9 Å²	49.9	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-71.3	-43.1	179.9	-70.2	168.7	0	0	0	113	A136 Q175 L176 A181 D182 V183	A136-L179 HydrophobicContact CB-CD1 3.49Å; A136-L179 VanDerWaalsContact CB-CD1 3.49Å; Q175-L179 WeakPolarHBondContact O-CG 3.47Å; Q175-L179 PolarHBondContact O-N 2.84Å; L176-L179 PolarHBondContact O-N 2.77Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.19Å; L179-D182 PolarHBondContact O-N 3.34Å; L179-D182 VanDerWaalsContact O-N 3.14Å; L179-V183 PolarHBondContact O-N 3.11Å
180	T	82.8	Confident	70.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-27	179.2	50.4	0	0	0	0	112.5	L140 A146 L150 L176 L177 D182 F206	L140-T180 HydrophobicContact CD2-CG2 3.58Å; A146-T180 HydrophobicContact CB-CG2 4.02Å; L150-T180 HydrophobicContact CD1-CG2 4.14Å; L150-T180 HydrophobicContact CD2-CG2 4.38Å; L150-T180 HydrophobicContact CG-CG2 4.2Å; L176-T180 HydrophobicContact CD1-CG2 3.86Å; L176-T180 HydrophobicContact CG-CG2 4.26Å; L176-T180 WeakPolarHBondContact O-CB 3.39Å; L176-T180 VanDerWaalsContact O-CG2 3.29Å; L176-T180 WeakPolarHBondContact O-CG2 3.26Å; L176-T180 PolarHBondContact O-N 3.04Å; L176-T180 PolarHBondContact O-OG1 3.44Å; L177-T180 WeakPolarHBondContact CA-OG1 3.21Å; L177-T180 PolarHBondContact O-OG1 2.69Å; T180-D182 VanDerWaalsContact C-N 3.32Å; T180-F206 WeakPolarHBondContact OG1-CD2 3.37Å; T180-F206 VanDerWaalsContact OG1-CE2 3.23Å; T180-F206 WeakPolarHBondContact OG1-CE2 3.48Å
181	A	84.6	Confident	68.4	Low	1 Å²	1	56.1 Å²	56.1	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-67.7	-30.4	171.9	0	0	0	0	0	112.9	L177 L179 F206 R241 M242 R245	L177-A181 VanDerWaalsContact O-CB 3.28Å; L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 3.49Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.19Å; A181-F206 HydrophobicContact CB-CE2 4Å; A181-F206 HydrophobicContact CB-CZ 4.01Å; A181-R241 HydrophobicContact CB-CB 4.32Å; A181-M242 HydrophobicContact CB-CB 4.15Å; A181-R245 PolarHBondContact O-NH1 3.24Å
182	D	77.6	Confident	67.2	Low	70 Å²	70	63.5 Å²	63.5	37%	0.374	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	11.2	-176.6	-82.8	-40.9	0	0	0	114.5	L179 T180 R241 R245	L179-D182 PolarHBondContact O-N 3.34Å; L179-D182 VanDerWaalsContact O-N 3.14Å; T180-D182 VanDerWaalsContact C-N 3.32Å; D182-R241 IonicContact OD2-NH1 3.91Å; D182-R241 PolarHBondContact OD2-NH1 3.18Å; D182-R245 IonicContact OD1-CZ 2.86Å; D182-R245 IonicContact OD1-NH1 3.93Å; D182-R245 PolarHBondContact OD1-NH1 3.43Å; D182-R245 IonicContact OD1-NH2 3.7Å; D182-R245 PolarHBondContact OD1-NH2 2.83Å
183	V	79.9	Confident	66.1	Low	8 Å²	8	68.4 Å²	68.4	5%	0.048	39%	0.391	C	S	.	.			trans	-65.5	132	172.1	175.3	0	0	0	0	111.3	L140 L143 A146 L179	L140-V183 HydrophobicContact CB-CG2 4.2Å; L140-V183 HydrophobicContact CD2-CG2 3.89Å; L140-V183 HydrophobicContact CG-CG2 3.92Å; L143-V183 HydrophobicContact CB-CG1 4.41Å; A146-V183 HydrophobicContact CB-CG2 4.23Å; L179-V183 PolarHBondContact O-N 3.11Å
184	S	66.1	Low	64.8	Low	102 Å²	102	71.4 Å²	71.4	71%	0.713	41%	0.412	S	S	*	.			trans	-65.2	135.4	178.3	-65.5	0	0	0	0	112.9
185	S	58.7	Low	63.9	Low	59 Å²	59	73.5 Å²	73.5	41%	0.413	43%	0.427	S	S	.	.			trans	-100	17.8	179.2	56.6	0	0	0	0	114.2
186	E	49	Very low	63.2	Low	178 Å²	178	72.6 Å²	72.6	83%	0.832	42%	0.42	S	S	*	.			trans	-63.2	125.9	-177.4	-75.7	-158.4	150	0	0	112	S188	E186-S188 PolarHBondContact O-N 3.21Å
187	P	44.8	Very low	62.5	Low	105 Å²	105	76.6 Å²	76.6	68%	0.682	44%	0.441	S	S	*	.			trans	-76.7	113.1	-177.3	29.5	-33.8	0	0	0	111.2	I189	P187-I189 PolarHBondContact O-N 2.7Å
188	S	36.5	Very low	62	Low	87 Å²	87	79.2 Å²	79.2	61%	0.608	46%	0.455	S	S	*	.			trans	-63.1	133.5	162.1	70.3	0	0	0	0	109.8	E186 S190	E186-S188 PolarHBondContact O-N 3.21Å; S188-S190 PolarHBondContact O-N 3.03Å
189	I	41.2	Very low	61.9	Low	178 Å²	178	77 Å²	77	91%	0.913	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	34.4	-156.2	-56.4	164.3	0	0	0	113.2	P187	P187-I189 PolarHBondContact O-N 2.7Å
190	S	38.7	Very low	62.1	Low	114 Å²	114	78.4 Å²	78.4	80%	0.797	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.7	9	-175.6	57.3	0	0	0	0	116.8	S188	S188-S190 PolarHBondContact O-N 3.03Å
191	A	42.8	Very low	62.2	Low	31 Å²	31	82 Å²	82	26%	0.256	46%	0.463	S	S	.	.			trans	-147.1	43.3	-169	0	0	0	0	0	115.8	N193 S195	A191-N193 PolarHBondContact O-N 3.19Å; A191-S195 VanDerWaalsContact O-CB 3.32Å; A191-S195 WeakPolarHBondContact O-CB 3.28Å; A191-S195 PolarHBondContact O-N 3.28Å; A191-S195 VanDerWaalsContact O-N 3.09Å; A191-S195 PolarHBondContact O-OG 2.98Å; A191-S195 VanDerWaalsContact O-OG 3.14Å
192	E	51.3	Low	62.4	Low	167 Å²	167	82 Å²	82	78%	0.78	46%	0.463	S	S	*	.	H	α-helix	trans	-53.5	-53.6	-176.4	-64.1	-179.3	144.9	0	0	113.1	S195 R196	E192-S195 PolarHBondContact O-N 3.4Å; E192-S195 PolarHBondContact O-OG 3.47Å; E192-R196 PolarHBondContact O-N 3.14Å
193	N	53.6	Low	63	Low	127 Å²	127	78.7 Å²	78.7	68%	0.679	45%	0.445	S	S	*	.	H	α-helix	trans	-62.4	-52.7	-176	-67.1	23.5	0	0	0	113.4	A191 S195 R196 D197	A191-N193 PolarHBondContact O-N 3.19Å; N193-S195 VanDerWaalsContact C-N 3.29Å; N193-S195 PolarHBondContact O-N 2.81Å; N193-R196 PolarHBondContact O-N 3.02Å; N193-R196 VanDerWaalsContact O-N 3.17Å; N193-D197 PolarHBondContact O-N 2.85Å
194	S	55.5	Low	63.5	Low	64 Å²	64	82.9 Å²	82.9	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-68.6	-27.7	-177	53	0	0	0	0	113.2	R196 N198	S194-R196 VanDerWaalsContact C-N 3.3Å; S194-N198 WeakPolarHBondContact O-CB 3.26Å; S194-N198 PolarHBondContact O-N 3.04Å; S194-N198 PolarHBondContact O-ND2 3.02Å; S194-N198 PolarHBondContact O-OD1 3.25Å
195	S	63.8	Low	64.7	Low	47 Å²	47	79.7 Å²	79.7	33%	0.329	44%	0.438	S	S	.	.	H	α-helix	trans	-66.6	-33.1	174.3	69	0	0	0	0	112.3	A191 E192 N193 I199	A191-S195 VanDerWaalsContact O-CB 3.32Å; A191-S195 WeakPolarHBondContact O-CB 3.28Å; A191-S195 PolarHBondContact O-N 3.28Å; A191-S195 VanDerWaalsContact O-N 3.09Å; A191-S195 PolarHBondContact O-OG 2.98Å; A191-S195 VanDerWaalsContact O-OG 3.14Å; E192-S195 PolarHBondContact O-N 3.4Å; E192-S195 PolarHBondContact O-OG 3.47Å; N193-S195 VanDerWaalsContact C-N 3.29Å; N193-S195 PolarHBondContact O-N 2.81Å; S195-I199 WeakPolarHBondContact O-CD1 3.49Å; S195-I199 VanDerWaalsContact O-CG1 3.3Å; S195-I199 WeakPolarHBondContact O-CG1 3.46Å; S195-I199 PolarHBondContact O-N 2.97Å
196	R	64	Low	66.4	Low	61 Å²	61	76.9 Å²	76.9	23%	0.23	42%	0.418	C	S	.	.	H	α-helix	trans	-76.6	-42.3	179.3	-166.7	-169.7	65.5	156.5	-17.9	112.9	E192 N193 S194 N198 I199 Q200 E253	E192-R196 PolarHBondContact O-N 3.14Å; N193-R196 PolarHBondContact O-N 3.02Å; N193-R196 VanDerWaalsContact O-N 3.17Å; S194-R196 VanDerWaalsContact C-N 3.3Å; R196-N198 VanDerWaalsContact C-N 3.25Å; R196-N198 PolarHBondContact O-N 2.8Å; R196-I199 WeakPolarHBondContact O-CA 3.4Å; R196-I199 WeakPolarHBondContact O-CB 3.46Å; R196-I199 PolarHBondContact O-N 2.9Å; R196-Q200 PolarHBondContact O-N 3.24Å; R196-E253 VanDerWaalsContact CZ-CD 3.42Å; R196-E253 IonicContact CZ-OE1 3.27Å; R196-E253 IonicContact CZ-OE2 2.6Å; R196-E253 IonicContact NH1-OE1 3.24Å; R196-E253 IonicContact NH1-OE2 3.93Å; R196-E253 PolarHBondContact NH1-OE2 2.88Å; R196-E253 VanDerWaalsContact NH2-CD 3.25Å; R196-E253 IonicContact NH2-OE1 3.82Å; R196-E253 PolarHBondContact NH2-OE1 3.45Å; R196-E253 IonicContact NH2-OE2 3.62Å; R196-E253 PolarHBondContact NH2-OE2 2.82Å
197	D	69.4	Low	68.5	Low	91 Å²	91	68.4 Å²	68.4	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-43.3	176	-63.4	-15	0	0	0	110	N193 I199 Q200 E201	N193-D197 PolarHBondContact O-N 2.85Å; D197-I199 VanDerWaalsContact C-N 3.32Å; D197-I199 PolarHBondContact O-N 3.4Å; D197-Q200 PolarHBondContact O-N 2.87Å; D197-E201 WeakPolarHBondContact O-CB 3.35Å; D197-E201 PolarHBondContact O-N 3.04Å
198	N	76.3	Confident	70.8	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-36	172.7	-66.5	-11.4	0	0	0	113.2	L143 S194 R196 L202	L143-N198 HydrophobicContact CD2-CB 3.74Å; L143-N198 WeakPolarHBondContact CD2-O 3.43Å; S194-N198 WeakPolarHBondContact O-CB 3.26Å; S194-N198 PolarHBondContact O-N 3.04Å; S194-N198 PolarHBondContact O-ND2 3.02Å; S194-N198 PolarHBondContact O-OD1 3.25Å; R196-N198 VanDerWaalsContact C-N 3.25Å; R196-N198 PolarHBondContact O-N 2.8Å; N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 PolarHBondContact O-N 3.41Å
199	I	82.9	Confident	73.4	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-69.2	-42.1	176.5	-72.4	163.2	0	0	0	110.9	L143 S195 R196 D197 L202 S203 F246 L250	L143-I199 HydrophobicContact CD1-CD1 4.36Å; L143-I199 HydrophobicContact CD1-CG1 3.61Å; L143-I199 HydrophobicContact CD2-CG1 3.88Å; L143-I199 HydrophobicContact CG-CG1 4.43Å; S195-I199 WeakPolarHBondContact O-CD1 3.49Å; S195-I199 VanDerWaalsContact O-CG1 3.3Å; S195-I199 WeakPolarHBondContact O-CG1 3.46Å; S195-I199 PolarHBondContact O-N 2.97Å; R196-I199 WeakPolarHBondContact O-CA 3.4Å; R196-I199 WeakPolarHBondContact O-CB 3.46Å; R196-I199 PolarHBondContact O-N 2.9Å; D197-I199 VanDerWaalsContact C-N 3.32Å; D197-I199 PolarHBondContact O-N 3.4Å; I199-L202 PolarHBondContact O-N 3.48Å; I199-S203 PolarHBondContact O-N 3.24Å; I199-S203 PolarHBondContact O-OG 3.41Å; I199-F246 HydrophobicContact CD1-CD1 4.41Å; I199-F246 HydrophobicContact CG1-CD1 4.27Å; I199-F246 HydrophobicContact CG1-CE1 4.49Å; I199-F246 HydrophobicContact CG2-CB 3.98Å; I199-F246 HydrophobicContact CG2-CD1 4.04Å; I199-F246 HydrophobicContact CG2-CG 4.1Å; I199-L250 HydrophobicContact CG2-CD2 3.97Å; I199-L250 HydrophobicContact CG2-CG 4.21Å
200	Q	84.1	Confident	75.9	Confident	90 Å²	90	52.6 Å²	52.6	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-41.8	177.4	-175.6	171.7	-16.4	0	0	111.6	R196 D197 S203 Q204	R196-Q200 PolarHBondContact O-N 3.24Å; D197-Q200 PolarHBondContact O-N 2.87Å; Q200-S203 PolarHBondContact O-N 3.22Å; Q200-Q204 WeakPolarHBondContact O-CG 3.13Å; Q200-Q204 PolarHBondContact O-N 3.38Å
201	E	85.3	Confident	78.5	Confident	76 Å²	76	47.8 Å²	47.8	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-46.7	172.7	-176.5	179.5	162.5	0	0	111.5	D197 S203 Q204 H205	D197-E201 WeakPolarHBondContact O-CB 3.35Å; D197-E201 PolarHBondContact O-N 3.04Å; E201-S203 PolarHBondContact O-N 3.39Å; E201-Q204 PolarHBondContact O-N 3.29Å; E201-H205 WeakPolarHBondContact CG-CE1 3.32Å; E201-H205 PolarHBondContact O-N 3.25Å; E201-H205 PolarHBondContact O-ND1 2.81Å; E201-H205 IonicContact OE1-CE1 2.7Å; E201-H205 PolarHBondContact OE1-CE1 3.47Å; E201-H205 VanDerWaalsContact OE1-CE1 3.27Å; E201-H205 IonicContact OE1-ND1 2.81Å
202	L	88.3	Confident	80.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-52.6	174.8	-178.7	88.9	0	0	0	111.2	L143 A146 A147 L150 N198 I199 Q204 H205 F206 F246	L143-L202 HydrophobicContact CD1-CD2 4.17Å; L143-L202 HydrophobicContact CD2-CB 4.08Å; L143-L202 HydrophobicContact CD2-CD2 4.16Å; L143-L202 HydrophobicContact CG-CD2 4Å; A146-L202 HydrophobicContact CB-CD1 3.53Å; A147-L202 HydrophobicContact CB-CB 4.36Å; A147-L202 HydrophobicContact CB-CD1 4.17Å; L150-L202 HydrophobicContact CD1-CD1 3.89Å; L150-L202 HydrophobicContact CD1-CG 4.48Å; N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 PolarHBondContact O-N 3.41Å; I199-L202 PolarHBondContact O-N 3.48Å; L202-Q204 VanDerWaalsContact C-N 3.32Å; L202-Q204 PolarHBondContact O-N 3.36Å; L202-H205 PolarHBondContact O-N 2.86Å; L202-F206 VanDerWaalsContact O-CB 3.22Å; L202-F206 WeakPolarHBondContact O-CB 3.32Å; L202-F206 PolarHBondContact O-N 2.76Å; L202-F246 HydrophobicContact CD2-CD2 4.19Å; L202-F246 HydrophobicContact CD2-CE1 4.49Å; L202-F246 HydrophobicContact CD2-CE2 3.51Å; L202-F246 HydrophobicContact CD2-CZ 3.7Å
203	S	90.6	Very high	82.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-37.8	-178.9	-67	0	0	0	0	112.2	I199 Q200 E201 I207 M242	I199-S203 PolarHBondContact O-N 3.24Å; I199-S203 PolarHBondContact O-OG 3.41Å; Q200-S203 PolarHBondContact O-N 3.22Å; E201-S203 PolarHBondContact O-N 3.39Å; S203-I207 VanDerWaalsContact O-CG1 3.27Å; S203-I207 WeakPolarHBondContact O-CG1 3.47Å; S203-I207 PolarHBondContact O-N 2.75Å; S203-I207 VanDerWaalsContact O-N 3.08Å; S203-M242 PolarHBondContact OG-SD 2.78Å; S203-M242 VanDerWaalsContact OG-SD 3.37Å
204	Q	91	Very high	84.4	Confident	96 Å²	96	34.1 Å²	34.1	45%	0.449	18%	0.183	S	C	.	.	H	α-helix	trans	-65.2	-47.9	175.2	-74.1	178.8	-5.6	0	0	111.8	Q200 E201 L202 F206 I207 S208	Q200-Q204 WeakPolarHBondContact O-CG 3.13Å; Q200-Q204 PolarHBondContact O-N 3.38Å; E201-Q204 PolarHBondContact O-N 3.29Å; L202-Q204 VanDerWaalsContact C-N 3.32Å; L202-Q204 PolarHBondContact O-N 3.36Å; Q204-F206 PolarHBondContact O-N 2.84Å; Q204-I207 PolarHBondContact O-N 3.34Å; Q204-S208 WeakPolarHBondContact O-CB 3.34Å; Q204-S208 PolarHBondContact O-N 2.85Å
205	H	90.9	Very high	86	Confident	35 Å²	35	32.1 Å²	32.1	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177.3	-66.3	147.9	0	0	0	112.6	L150 N151 I154 E201 L202 S208 V209	L150-H205 HydrophobicContact CB-CB 3.73Å; N151-H205 PolarHBondContact ND2-CE1 2.84Å; I154-H205 HydrophobicContact CD1-CB 3.75Å; I154-H205 VanDerWaalsContact CD1-CD2 3.47Å; I154-H205 WeakPolarHBondContact CD1-CD2 3.45Å; E201-H205 WeakPolarHBondContact CG-CE1 3.32Å; E201-H205 PolarHBondContact O-N 3.25Å; E201-H205 PolarHBondContact O-ND1 2.81Å; E201-H205 IonicContact OE1-CE1 2.7Å; E201-H205 PolarHBondContact OE1-CE1 3.47Å; E201-H205 VanDerWaalsContact OE1-CE1 3.27Å; E201-H205 IonicContact OE1-ND1 2.81Å; L202-H205 PolarHBondContact O-N 2.86Å; H205-S208 PolarHBondContact O-N 2.86Å; H205-V209 WeakPolarHBondContact O-CG2 3.01Å; H205-V209 PolarHBondContact O-N 2.98Å
206	F	93.7	Very high	87.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-48.4	177	-170	-71.6	0	0	0	111.6	L150 L177 T180 A181 L202 Q204 V209 A210 S238 V239 M242	L150-F206 HydrophobicContact CD1-CB 4.01Å; L150-F206 HydrophobicContact CD1-CD2 4.16Å; L177-F206 HydrophobicContact CB-CE2 4.26Å; L177-F206 HydrophobicContact CB-CZ 3.97Å; L177-F206 HydrophobicContact CD2-CD1 3.87Å; L177-F206 HydrophobicContact CD2-CD2 3.79Å; L177-F206 HydrophobicContact CD2-CE1 3.84Å; L177-F206 HydrophobicContact CD2-CE2 3.79Å; L177-F206 HydrophobicContact CD2-CG 3.84Å; L177-F206 HydrophobicContact CD2-CZ 3.81Å; L177-F206 HydrophobicContact CG-CZ 4.42Å; L177-F206 VanDerWaalsContact O-CE2 3.26Å; L177-F206 WeakPolarHBondContact O-CE2 3.38Å; L177-F206 WeakPolarHBondContact O-CZ 3.37Å; T180-F206 WeakPolarHBondContact OG1-CD2 3.37Å; T180-F206 VanDerWaalsContact OG1-CE2 3.23Å; T180-F206 WeakPolarHBondContact OG1-CE2 3.48Å; A181-F206 HydrophobicContact CB-CE2 4Å; A181-F206 HydrophobicContact CB-CZ 4.01Å; L202-F206 VanDerWaalsContact O-CB 3.22Å; L202-F206 WeakPolarHBondContact O-CB 3.32Å; L202-F206 PolarHBondContact O-N 2.76Å; Q204-F206 PolarHBondContact O-N 2.84Å; F206-V209 PolarHBondContact O-N 2.94Å; F206-A210 WeakPolarHBondContact O-CB 3.42Å; F206-A210 PolarHBondContact O-N 2.71Å; F206-S238 WeakPolarHBondContact CZ-O 3.33Å; F206-V239 HydrophobicContact CD1-CG2 4.31Å; F206-V239 HydrophobicContact CE1-CB 4.37Å; F206-V239 HydrophobicContact CE1-CG2 3.79Å; F206-M242 HydrophobicContact CB-CE 4.08Å; F206-M242 HydrophobicContact CD1-CB 4.31Å; F206-M242 HydrophobicContact CD1-CE 3.58Å; F206-M242 HydrophobicContact CD1-CG 4.06Å; F206-M242 HydrophobicContact CD2-CB 4.39Å; F206-M242 HydrophobicContact CD2-CG 3.8Å; F206-M242 HydrophobicContact CE1-CB 3.93Å; F206-M242 HydrophobicContact CE1-CE 4.21Å; F206-M242 HydrophobicContact CE1-CG 4.17Å; F206-M242 HydrophobicContact CE2-CB 3.99Å; F206-M242 HydrophobicContact CE2-CG 3.89Å; F206-M242 HydrophobicContact CG-CE 3.9Å; F206-M242 HydrophobicContact CG-CG 3.89Å; F206-M242 HydrophobicContact CZ-CB 3.75Å; F206-M242 HydrophobicContact CZ-CG 4.08Å
207	I	94.1	Very high	88	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-39.2	177.4	-62.7	-63.2	0	0	0	110.8	S203 Q204 V209 A210 D211 V239 M242 I259 T261 I264 V266	S203-I207 VanDerWaalsContact O-CG1 3.27Å; S203-I207 WeakPolarHBondContact O-CG1 3.47Å; S203-I207 PolarHBondContact O-N 2.75Å; S203-I207 VanDerWaalsContact O-N 3.08Å; Q204-I207 PolarHBondContact O-N 3.34Å; I207-V209 PolarHBondContact O-N 3.37Å; I207-A210 PolarHBondContact O-N 2.76Å; I207-D211 VanDerWaalsContact O-CB 3.26Å; I207-D211 WeakPolarHBondContact O-CB 3.41Å; I207-D211 PolarHBondContact O-N 2.84Å; I207-V239 HydrophobicContact CD1-CG1 3.54Å; I207-V239 HydrophobicContact CD1-CG2 4.18Å; I207-M242 HydrophobicContact CD1-CE 3.77Å; I207-M242 HydrophobicContact CG1-CE 3.96Å; I207-I259 HydrophobicContact CB-CG2 4.05Å; I207-I259 HydrophobicContact CG1-CG2 4.11Å; I207-I259 HydrophobicContact CG2-CG2 4.05Å; I207-T261 HydrophobicContact CG2-CG2 3.96Å; I207-I264 HydrophobicContact CG2-CB 4.08Å; I207-I264 HydrophobicContact CG2-CD1 4.38Å; I207-I264 HydrophobicContact CG2-CG2 4.1Å; I207-V266 HydrophobicContact CD1-CG2 3.79Å; I207-V266 HydrophobicContact CG1-CG2 4.31Å
208	S	92.6	Very high	88.8	Confident	39 Å²	39	34.9 Å²	34.9	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-36.5	176.6	-165.4	0	0	0	0	113.4	Q204 H205 S212	Q204-S208 WeakPolarHBondContact O-CB 3.34Å; Q204-S208 PolarHBondContact O-N 2.85Å; H205-S208 PolarHBondContact O-N 2.86Å; S208-S212 PolarHBondContact O-N 3.01Å; S208-S212 PolarHBondContact O-OG 3.03Å
209	V	91.1	Very high	89.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-45.7	172.8	172.1	0	0	0	0	110.5	L150 I154 M157 L173 L177 H205 F206 I207 D211 S212 I213	L150-V209 HydrophobicContact CD2-CB 4.42Å; L150-V209 HydrophobicContact CD2-CG2 4.12Å; I154-V209 HydrophobicContact CD1-CG2 4.19Å; I154-V209 HydrophobicContact CG1-CG2 3.71Å; M157-V209 HydrophobicContact CE-CG2 4.2Å; L173-V209 HydrophobicContact CB-CG1 4.41Å; L173-V209 HydrophobicContact CD2-CG1 4.19Å; L177-V209 HydrophobicContact CD1-CG1 4.29Å; L177-V209 HydrophobicContact CD2-CB 4.16Å; L177-V209 HydrophobicContact CD2-CG1 3.93Å; L177-V209 HydrophobicContact CG-CG1 4.14Å; H205-V209 WeakPolarHBondContact O-CG2 3.01Å; H205-V209 PolarHBondContact O-N 2.98Å; F206-V209 PolarHBondContact O-N 2.94Å; I207-V209 PolarHBondContact O-N 3.37Å; V209-D211 PolarHBondContact O-N 3Å; V209-S212 WeakPolarHBondContact O-CB 3.45Å; V209-S212 PolarHBondContact O-N 3.29Å; V209-I213 HydrophobicContact CG1-CD1 4.09Å; V209-I213 WeakPolarHBondContact O-CG1 3.03Å; V209-I213 PolarHBondContact O-N 2.86Å
210	A	93.9	Very high	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-44.7	177.3	0	0	0	0	0	112.6	L177 F206 I207 S212 I213 I214 V235 V239 I264	L177-A210 HydrophobicContact CD1-CB 3.93Å; F206-A210 WeakPolarHBondContact O-CB 3.42Å; F206-A210 PolarHBondContact O-N 2.71Å; I207-A210 PolarHBondContact O-N 2.76Å; A210-S212 VanDerWaalsContact C-N 3.34Å; A210-S212 PolarHBondContact O-N 2.68Å; A210-I213 PolarHBondContact O-N 3.46Å; A210-I214 PolarHBondContact O-N 2.9Å; A210-I214 VanDerWaalsContact O-N 3.11Å; A210-V235 HydrophobicContact CB-CG1 3.76Å; A210-V239 HydrophobicContact CB-CG2 3.76Å; A210-I264 HydrophobicContact CB-CD1 3.73Å
211	D	93.2	Very high	89.2	Confident	12 Å²	12	37.5 Å²	37.5	6%	0.064	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-45.4	176.7	-166.3	103.2	0	0	0	111.6	I207 V209 I213 I214 S215 T261 N263 I264	I207-D211 VanDerWaalsContact O-CB 3.26Å; I207-D211 WeakPolarHBondContact O-CB 3.41Å; I207-D211 PolarHBondContact O-N 2.84Å; V209-D211 PolarHBondContact O-N 3Å; D211-I213 VanDerWaalsContact C-N 3.3Å; D211-I213 PolarHBondContact O-N 2.89Å; D211-I214 PolarHBondContact O-N 3.17Å; D211-S215 PolarHBondContact O-N 3.49Å; D211-T261 VanDerWaalsContact CG-OG1 3.3Å; D211-T261 WeakPolarHBondContact OD1-CB 3.19Å; D211-T261 PolarHBondContact OD1-OG1 3.37Å; D211-N263 VanDerWaalsContact OD1-CA 3.31Å; D211-N263 WeakPolarHBondContact OD1-CA 3.41Å; D211-N263 VanDerWaalsContact OD1-CB 3.3Å; D211-N263 WeakPolarHBondContact OD1-CB 3.19Å; D211-N263 PolarHBondContact OD1-N 3.27Å; D211-N263 PolarHBondContact OD2-ND2 3.41Å; D211-I264 HydrophobicContact CB-CD1 4.16Å; D211-I264 HydrophobicContact CB-CG1 4.29Å; D211-I264 PolarHBondContact OD1-N 2.87Å
212	S	90.1	Very high	89.1	Confident	37 Å²	37	34.1 Å²	34.1	26%	0.259	18%	0.182	S	C	.	.	H	α-helix	trans	-62.6	-32.7	178.3	-57	0	0	0	0	113.2	L165 S208 V209 A210 N218	L165-S212 WeakPolarHBondContact CD1-O 3.43Å; S208-S212 PolarHBondContact O-N 3.01Å; S208-S212 PolarHBondContact O-OG 3.03Å; V209-S212 WeakPolarHBondContact O-CB 3.45Å; V209-S212 PolarHBondContact O-N 3.29Å; A210-S212 VanDerWaalsContact C-N 3.34Å; A210-S212 PolarHBondContact O-N 2.68Å; S212-N218 PolarHBondContact O-ND2 3.47Å
213	I	89.8	Confident	88.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-76.8	-37.9	177.6	-58.1	162.4	0	0	0	110.8	M170 L173 I174 L177 V209 A210 D211 S215 N218 W222 V235	M170-I213 HydrophobicContact CE-CG2 4.17Å; L173-I213 HydrophobicContact CB-CD1 3.74Å; L173-I213 HydrophobicContact CB-CG1 4.25Å; L173-I213 HydrophobicContact CD1-CG1 4.36Å; I174-I213 HydrophobicContact CD1-CG2 4.4Å; I174-I213 HydrophobicContact CG1-CD1 4.33Å; I174-I213 HydrophobicContact CG1-CG2 4.24Å; L177-I213 HydrophobicContact CD1-CD1 3.59Å; L177-I213 HydrophobicContact CG-CD1 4.46Å; V209-I213 HydrophobicContact CG1-CD1 4.09Å; V209-I213 WeakPolarHBondContact O-CG1 3.03Å; V209-I213 PolarHBondContact O-N 2.86Å; A210-I213 PolarHBondContact O-N 3.46Å; D211-I213 VanDerWaalsContact C-N 3.3Å; D211-I213 PolarHBondContact O-N 2.89Å; I213-S215 PolarHBondContact O-N 3.36Å; I213-N218 PolarHBondContact O-ND2 2.98Å; I213-W222 HydrophobicContact CG2-CH2 4.4Å; I213-W222 HydrophobicContact CG2-CZ2 3.65Å; I213-W222 PolarHBondContact O-NE1 3.14Å; I213-V235 HydrophobicContact CG2-CG2 4.24Å
214	I	91.5	Very high	87.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-89	10.8	-177.9	73.8	162.8	0	0	0	114.8	A210 D211 V235 N263 I264 Y321 L324 L327	A210-I214 PolarHBondContact O-N 2.9Å; A210-I214 VanDerWaalsContact O-N 3.11Å; D211-I214 PolarHBondContact O-N 3.17Å; I214-V235 HydrophobicContact CG2-CB 4.19Å; I214-V235 HydrophobicContact CG2-CG1 3.96Å; I214-V235 HydrophobicContact CG2-CG2 4.46Å; I214-N263 HydrophobicContact CD1-CB 4.15Å; I214-N263 HydrophobicContact CG1-CB 4.12Å; I214-I264 HydrophobicContact CD1-CD1 3.92Å; I214-I264 HydrophobicContact CD1-CG1 3.62Å; I214-I264 HydrophobicContact CG1-CD1 4.4Å; I214-I264 HydrophobicContact CG1-CG1 4.36Å; I214-Y321 HydrophobicContact CD1-CD1 4Å; I214-L324 HydrophobicContact CB-CD2 4.02Å; I214-L324 HydrophobicContact CD1-CD2 4.18Å; I214-L324 HydrophobicContact CG2-CD2 3.93Å; I214-L327 HydrophobicContact CB-CD1 4.05Å; I214-L327 HydrophobicContact CG2-CD1 4.5Å
215	S	89.9	Confident	87.1	Confident	22 Å²	22	36.2 Å²	36.2	15%	0.154	20%	0.204	C	C	.	.	S	Bend	trans	-60.7	145.7	172.4	-162.7	0	0	0	0	111.6	D211 I213 D217 N218	D211-S215 PolarHBondContact O-N 3.49Å; I213-S215 PolarHBondContact O-N 3.36Å; S215-D217 PolarHBondContact O-N 2.92Å; S215-D217 PolarHBondContact OG-OD2 3.49Å; S215-N218 PolarHBondContact O-N 3.16Å
216	E	85.9	Confident	86.2	Confident	122 Å²	122	39.1 Å²	39.1	57%	0.57	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-55.5	-32.1	175.6	178.3	159.9	-148.7	0	0	111.8	N218 A219 P326	E216-N218 PolarHBondContact O-N 3.34Å; E216-A219 WeakPolarHBondContact O-CB 3.37Å; E216-A219 PolarHBondContact O-N 3.4Å; E216-A219 VanDerWaalsContact O-N 3.12Å; E216-P326 HydrophobicContact CB-CG 4.27Å; E216-P326 HydrophobicContact CG-CB 4.03Å; E216-P326 HydrophobicContact CG-CG 3.72Å; E216-P326 VanDerWaalsContact OE1-CG 3.25Å; E216-P326 WeakPolarHBondContact OE1-CG 3.44Å
217	D	84.2	Confident	84.9	Confident	129 Å²	129	46.9 Å²	46.9	69%	0.69	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.9	-10.5	176.6	-44.4	-73.6	0	0	0	114.8	S215 K221	S215-D217 PolarHBondContact O-N 2.92Å; S215-D217 PolarHBondContact OG-OD2 3.49Å; D217-K221 WeakPolarHBondContact O-CE 3.34Å
218	N	86.6	Confident	83.6	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.037	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-103.4	2.5	179	-62.7	-34.1	0	0	0	113.7	M170 S212 I213 S215 E216 D220 K221 W222	M170-N218 HydrophobicContact CE-CB 3.92Å; M170-N218 HydrophobicContact SD-CB 4.23Å; S212-N218 PolarHBondContact O-ND2 3.47Å; I213-N218 PolarHBondContact O-ND2 2.98Å; S215-N218 PolarHBondContact O-N 3.16Å; E216-N218 PolarHBondContact O-N 3.34Å; N218-D220 PolarHBondContact O-N 2.71Å; N218-K221 HydrophobicContact CB-CD 4.23Å; N218-K221 WeakPolarHBondContact O-CA 3.34Å; N218-K221 WeakPolarHBondContact O-CB 3.42Å; N218-K221 PolarHBondContact O-N 3.12Å; N218-K221 WeakPolarHBondContact OD1-CD 3.49Å; N218-K221 WeakPolarHBondContact OD1-CE 3.24Å; N218-K221 PolarHBondContact OD1-NZ 2.83Å; N218-W222 PolarHBondContact O-N 3.34Å
219	A	84.9	Confident	82.6	Confident	21 Å²	21	47.3 Å²	47.3	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-52	-49.9	-175.8	0	0	0	0	0	113.6	E216 K221 W222 P326 L327	E216-A219 WeakPolarHBondContact O-CB 3.37Å; E216-A219 PolarHBondContact O-N 3.4Å; E216-A219 VanDerWaalsContact O-N 3.12Å; A219-K221 PolarHBondContact O-N 3.11Å; A219-W222 PolarHBondContact O-N 2.73Å; A219-P326 HydrophobicContact CB-CB 4.36Å; A219-P326 WeakPolarHBondContact CB-O 3.19Å; A219-L327 HydrophobicContact CB-CD2 4.09Å
220	D	81.3	Confident	81.8	Confident	145 Å²	145	50.1 Å²	50.1	78%	0.775	27%	0.269	S	S	*	.	H	α-helix	trans	-62.8	-30.3	177.5	-63.4	-33.8	0	0	0	112.8	N218 Q223	N218-D220 PolarHBondContact O-N 2.71Å; D220-Q223 PolarHBondContact O-N 3.3Å
221	K	83.8	Confident	81.3	Confident	44 Å²	44	51 Å²	51	19%	0.191	28%	0.278	C	S	.	.	H	α-helix	trans	-77.9	-33.7	-176.5	-48	176.7	-166.2	171	0	111.4	L165 P167 M170 D217 N218 A219 Q223 A224 I225	L165-K221 WeakPolarHBondContact O-CD 3.21Å; L165-K221 VanDerWaalsContact O-CE 3.3Å; L165-K221 WeakPolarHBondContact O-CE 3.28Å; L165-K221 PolarHBondContact O-NZ 3.47Å; P167-K221 HydrophobicContact CG-CB 4.38Å; M170-K221 HydrophobicContact CE-CB 4.37Å; M170-K221 HydrophobicContact SD-CB 3.56Å; M170-K221 VanDerWaalsContact SD-CB 3.56Å; M170-K221 HydrophobicContact SD-CD 4.01Å; M170-K221 HydrophobicContact SD-CG 4.46Å; D217-K221 WeakPolarHBondContact O-CE 3.34Å; N218-K221 HydrophobicContact CB-CD 4.23Å; N218-K221 WeakPolarHBondContact O-CA 3.34Å; N218-K221 WeakPolarHBondContact O-CB 3.42Å; N218-K221 PolarHBondContact O-N 3.12Å; N218-K221 WeakPolarHBondContact OD1-CD 3.49Å; N218-K221 WeakPolarHBondContact OD1-CE 3.24Å; N218-K221 PolarHBondContact OD1-NZ 2.83Å; A219-K221 PolarHBondContact O-N 3.11Å; K221-Q223 PolarHBondContact O-N 3.34Å; K221-A224 WeakPolarHBondContact O-CB 3.25Å; K221-A224 PolarHBondContact O-N 3.28Å; K221-A224 VanDerWaalsContact O-N 3.09Å; K221-I225 PolarHBondContact O-N 3.33Å
222	W	84.1	Confident	81.1	Confident	5 Å²	5	50.9 Å²	50.9	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-35.7	170.8	-84.5	104	0	0	0	112	M170 I174 I213 N218 A219 A224 I225 K226 V229 G231 P232 V235	M170-W222 HydrophobicContact CE-CD2 3.89Å; M170-W222 HydrophobicContact CE-CG 3.89Å; M170-W222 HydrophobicContact CE-CZ2 4.33Å; M170-W222 VanDerWaalsContact CE-NE1 3.35Å; I174-W222 HydrophobicContact CD1-CH2 3.51Å; I174-W222 HydrophobicContact CD1-CZ2 4.27Å; I174-W222 HydrophobicContact CD1-CZ3 3.88Å; I174-W222 HydrophobicContact CG1-CH2 4.39Å; I213-W222 HydrophobicContact CG2-CH2 4.4Å; I213-W222 HydrophobicContact CG2-CZ2 3.65Å; I213-W222 PolarHBondContact O-NE1 3.14Å; N218-W222 PolarHBondContact O-N 3.34Å; A219-W222 PolarHBondContact O-N 2.73Å; W222-A224 VanDerWaalsContact C-N 3.31Å; W222-A224 PolarHBondContact O-N 2.96Å; W222-I225 HydrophobicContact CD2-CD1 4.34Å; W222-I225 HydrophobicContact CE3-CD1 3.86Å; W222-I225 HydrophobicContact CE3-CG1 4.13Å; W222-I225 HydrophobicContact CZ3-CD1 4.15Å; W222-I225 WeakPolarHBondContact O-CG1 3.15Å; W222-I225 PolarHBondContact O-N 3.43Å; W222-K226 PolarHBondContact O-N 3.39Å; W222-V229 HydrophobicContact CE3-CG2 4.33Å; W222-V229 HydrophobicContact CZ3-CG2 3.79Å; W222-G231 WeakPolarHBondContact CZ3-O 3.25Å; W222-P232 HydrophobicContact CD2-CG 4.01Å; W222-P232 HydrophobicContact CE3-CG 4.16Å; W222-P232 HydrophobicContact CG-CG 4.48Å; W222-P232 HydrophobicContact CH2-CB 4.37Å; W222-P232 HydrophobicContact CH2-CG 4.45Å; W222-P232 HydrophobicContact CZ2-CB 4.21Å; W222-P232 HydrophobicContact CZ2-CG 4.29Å; W222-P232 HydrophobicContact CZ3-CG 4.39Å; W222-V235 HydrophobicContact CH2-CG2 4Å; W222-V235 HydrophobicContact CZ2-CG2 4.14Å
223	Q	76.8	Confident	81	Confident	63 Å²	63	49.2 Å²	49.2	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-33.9	173.9	-63	-52.8	-51.2	0	0	112.9	D220 K221 I225 N329	D220-Q223 PolarHBondContact O-N 3.3Å; K221-Q223 PolarHBondContact O-N 3.34Å; Q223-I225 VanDerWaalsContact C-N 3.27Å; Q223-I225 PolarHBondContact O-N 3.09Å; Q223-N329 PolarHBondContact OE1-ND2 3.03Å
224	A	75.8	Confident	80.9	Confident	72 Å²	72	50.3 Å²	50.3	60%	0.595	27%	0.272	S	S	*	.	H	α-helix	trans	-73	-14.5	178.8	0	0	0	0	0	114.2	P167 K221 W222	P167-A224 HydrophobicContact CB-CB 4.23Å; P167-A224 HydrophobicContact CG-CB 4.07Å; K221-A224 WeakPolarHBondContact O-CB 3.25Å; K221-A224 PolarHBondContact O-N 3.28Å; K221-A224 VanDerWaalsContact O-N 3.09Å; W222-A224 VanDerWaalsContact C-N 3.31Å; W222-A224 PolarHBondContact O-N 2.96Å
225	I	74.8	Confident	80.9	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-116.3	2.6	-177.2	65.9	178.5	0	0	0	114.3	P167 M170 V171 I174 K221 W222 Q223 E227 V228 V229	P167-I225 HydrophobicContact CB-CG2 3.65Å; P167-I225 WeakPolarHBondContact O-CG2 3.44Å; M170-I225 HydrophobicContact CB-CD1 3.98Å; M170-I225 HydrophobicContact CE-CD1 4.09Å; V171-I225 HydrophobicContact CG2-CB 4.02Å; V171-I225 HydrophobicContact CG2-CD1 4.32Å; V171-I225 HydrophobicContact CG2-CG2 3.87Å; I174-I225 HydrophobicContact CD1-CD1 4.3Å; K221-I225 PolarHBondContact O-N 3.33Å; W222-I225 HydrophobicContact CD2-CD1 4.34Å; W222-I225 HydrophobicContact CE3-CD1 3.86Å; W222-I225 HydrophobicContact CE3-CG1 4.13Å; W222-I225 HydrophobicContact CZ3-CD1 4.15Å; W222-I225 WeakPolarHBondContact O-CG1 3.15Å; W222-I225 PolarHBondContact O-N 3.43Å; Q223-I225 VanDerWaalsContact C-N 3.27Å; Q223-I225 PolarHBondContact O-N 3.09Å; I225-E227 PolarHBondContact O-N 3.42Å; I225-E227 VanDerWaalsContact O-N 3.08Å; I225-V228 PolarHBondContact O-N 3.3Å; I225-V229 HydrophobicContact CB-CG2 4.23Å; I225-V229 HydrophobicContact CD1-CG2 3.71Å; I225-V229 HydrophobicContact CG1-CG2 3.72Å; I225-V229 PolarHBondContact O-N 3.46Å
226	K	71.9	Confident	81.1	Confident	97 Å²	97	49.5 Å²	49.5	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.8	-172.5	75.8	-178.8	-178.3	-177.7	0	116	W222 E332	W222-K226 PolarHBondContact O-N 3.39Å; K226-E332 IonicContact NZ-OE1 3.75Å; K226-E332 PolarHBondContact NZ-OE1 2.81Å; K226-E332 IonicContact NZ-OE2 3.66Å; K226-E332 PolarHBondContact NZ-OE2 2.7Å
227	E	66.4	Low	81.3	Confident	162 Å²	162	46 Å²	46	76%	0.757	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.6	171.2	-61.9	-171.9	177	0	0	113.6	N108 I225	N108-E227 PolarHBondContact ND2-OE2 3.31Å; I225-E227 PolarHBondContact O-N 3.42Å; I225-E227 VanDerWaalsContact O-N 3.08Å
228	V	66.6	Low	81.6	Confident	36 Å²	36	40.2 Å²	40.2	22%	0.218	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-27.7	-169.2	-173.7	0	0	0	0	112.4	A105 N108 V171 I225	A105-V228 HydrophobicContact CB-CG1 4.03Å; N108-V228 HydrophobicContact CB-CG2 4.25Å; V171-V228 HydrophobicContact CG1-CG1 3.96Å; V171-V228 HydrophobicContact CG2-CG1 4.24Å; I225-V228 PolarHBondContact O-N 3.3Å
229	V	72.4	Confident	81.9	Confident	13 Å²	13	39.9 Å²	39.9	8%	0.079	22%	0.217	C	C	.	.	S	Bend	trans	-132.6	150.8	177.1	-63.8	0	0	0	0	110.6	V171 I174 W222 I225 G231	V171-V229 HydrophobicContact CG1-CG1 4.26Å; V171-V229 HydrophobicContact CG2-CG1 4.24Å; I174-V229 HydrophobicContact CD1-CB 4.46Å; I174-V229 HydrophobicContact CD1-CG1 4.21Å; I174-V229 HydrophobicContact CD1-CG2 4.18Å; I174-V229 HydrophobicContact CG2-CG1 4.36Å; W222-V229 HydrophobicContact CE3-CG2 4.33Å; W222-V229 HydrophobicContact CZ3-CG2 3.79Å; I225-V229 HydrophobicContact CB-CG2 4.23Å; I225-V229 HydrophobicContact CD1-CG2 3.71Å; I225-V229 HydrophobicContact CG1-CG2 3.72Å; I225-V229 PolarHBondContact O-N 3.46Å; V229-G231 PolarHBondContact O-N 2.87Å
230	N	74.3	Confident	82.2	Confident	58 Å²	58	41 Å²	41	31%	0.31	22%	0.219	S	C	.	.			trans	-81.6	39.5	-173.4	-42.7	-92.3	0	0	0	112.8	D234 G408	N230-D234 VanDerWaalsContact CB-OD2 3.24Å; N230-D234 WeakPolarHBondContact CB-OD2 3.38Å; N230-D234 PolarHBondContact N-OD2 3.38Å; N230-D234 PolarHBondContact ND2-OD2 3.28Å; N230-G408 PolarHBondContact OD1-N 3.19Å
231	G	83.3	Confident	82.7	Confident	18 Å²	18	39 Å²	39	19%	0.186	20%	0.201	C	C	.	.			trans	69.2	-172.5	-178.8	0	0	0	0	0	115.4	W222 V229 M233 D234	W222-G231 WeakPolarHBondContact CZ3-O 3.25Å; V229-G231 PolarHBondContact O-N 2.87Å; G231-M233 PolarHBondContact O-N 3.31Å; G231-M233 VanDerWaalsContact O-N 3.08Å; G231-D234 PolarHBondContact O-N 3.48Å
232	P	88.5	Confident	83	Confident	10 Å²	10	37 Å²	37	7%	0.065	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	-172.6	-26.2	35	0	0	0	115.4	W222 D234 V235 V236 L324 L327	W222-P232 HydrophobicContact CD2-CG 4.01Å; W222-P232 HydrophobicContact CE3-CG 4.16Å; W222-P232 HydrophobicContact CG-CG 4.48Å; W222-P232 HydrophobicContact CH2-CB 4.37Å; W222-P232 HydrophobicContact CH2-CG 4.45Å; W222-P232 HydrophobicContact CZ2-CB 4.21Å; W222-P232 HydrophobicContact CZ2-CG 4.29Å; W222-P232 HydrophobicContact CZ3-CG 4.39Å; P232-D234 VanDerWaalsContact C-N 3.26Å; P232-D234 PolarHBondContact O-N 3.08Å; P232-V235 WeakPolarHBondContact O-CB 3.39Å; P232-V235 PolarHBondContact O-N 3.37Å; P232-V235 VanDerWaalsContact O-N 3.11Å; P232-V236 PolarHBondContact O-N 3.25Å; P232-L324 HydrophobicContact CB-CD2 3.88Å; P232-L327 HydrophobicContact CB-CB 4.41Å; P232-L327 HydrophobicContact CB-CD1 4.09Å; P232-L327 HydrophobicContact CG-CB 3.58Å; P232-L327 HydrophobicContact CG-CD1 4.04Å; P232-L327 HydrophobicContact CG-CG 4.49Å
233	M	89.2	Confident	83.4	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-71.5	-18	-177.3	-63.2	-55.9	-62.2	0	0	113.5	G231 V235 V236 K237 L324 F328 W398 F400 N435	G231-M233 PolarHBondContact O-N 3.31Å; G231-M233 VanDerWaalsContact O-N 3.08Å; M233-V235 VanDerWaalsContact C-N 3.28Å; M233-V235 PolarHBondContact O-N 2.03Å; M233-V236 HydrophobicContact CE-CB 3.97Å; M233-V236 HydrophobicContact CE-CG1 3.91Å; M233-V236 HydrophobicContact CE-CG2 4.12Å; M233-V236 PolarHBondContact O-N 3.07Å; M233-V236 HydrophobicContact SD-CB 4.37Å; M233-V236 HydrophobicContact SD-CG2 3.96Å; M233-K237 VanDerWaalsContact O-CB 3.24Å; M233-K237 WeakPolarHBondContact O-CB 3.3Å; M233-K237 PolarHBondContact O-N 2.82Å; M233-L324 HydrophobicContact SD-CD1 4.44Å; M233-F328 HydrophobicContact CG-CZ 3.88Å; M233-F328 HydrophobicContact SD-CZ 4.11Å; M233-W398 HydrophobicContact CB-CD2 4.17Å; M233-W398 HydrophobicContact CB-CG 4.42Å; M233-W398 HydrophobicContact CB-CZ2 4.18Å; M233-W398 HydrophobicContact CE-CB 3.74Å; M233-W398 HydrophobicContact CE-CD2 4.39Å; M233-W398 HydrophobicContact CE-CG 3.9Å; M233-W398 HydrophobicContact CG-CD2 3.69Å; M233-W398 HydrophobicContact CG-CE3 3.9Å; M233-W398 HydrophobicContact CG-CG 4.13Å; M233-W398 HydrophobicContact CG-CH2 4.31Å; M233-W398 HydrophobicContact CG-CZ2 4.11Å; M233-W398 HydrophobicContact CG-CZ3 4.21Å; M233-F400 HydrophobicContact CB-CE1 4.2Å; M233-F400 HydrophobicContact CE-CZ 4.4Å; M233-N435 WeakPolarHBondContact CE-OD1 3.24Å
234	D	87.1	Confident	83.9	Confident	23 Å²	23	35.8 Å²	35.8	12%	0.123	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-32.1	168.9	-84.6	-20.9	0	0	0	112	I174 N230 G231 P232 S238	I174-D234 HydrophobicContact CG2-CB 4.48Å; N230-D234 VanDerWaalsContact CB-OD2 3.24Å; N230-D234 WeakPolarHBondContact CB-OD2 3.38Å; N230-D234 PolarHBondContact N-OD2 3.38Å; N230-D234 PolarHBondContact ND2-OD2 3.28Å; G231-D234 PolarHBondContact O-N 3.48Å; P232-D234 VanDerWaalsContact C-N 3.26Å; P232-D234 PolarHBondContact O-N 3.08Å; D234-S238 WeakPolarHBondContact O-CB 3.46Å; D234-S238 PolarHBondContact O-N 3.11Å; D234-S238 PolarHBondContact O-OG 2.91Å
235	V	92.1	Very high	84.5	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-70.4	-45.4	174.3	-177.4	0	0	0	0	110.1	I174 L177 A210 I213 I214 W222 P232 M233 K237 S238 V239	I174-V235 HydrophobicContact CG1-CG2 4.06Å; L177-V235 HydrophobicContact CD1-CG1 4.12Å; A210-V235 HydrophobicContact CB-CG1 3.76Å; I213-V235 HydrophobicContact CG2-CG2 4.24Å; I214-V235 HydrophobicContact CG2-CB 4.19Å; I214-V235 HydrophobicContact CG2-CG1 3.96Å; I214-V235 HydrophobicContact CG2-CG2 4.46Å; W222-V235 HydrophobicContact CH2-CG2 4Å; W222-V235 HydrophobicContact CZ2-CG2 4.14Å; P232-V235 WeakPolarHBondContact O-CB 3.39Å; P232-V235 PolarHBondContact O-N 3.37Å; P232-V235 VanDerWaalsContact O-N 3.11Å; M233-V235 VanDerWaalsContact C-N 3.28Å; M233-V235 PolarHBondContact O-N 2.03Å; V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 3.37Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 VanDerWaalsContact O-N 3.16Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 2.96Å
236	V	92.4	Very high	85	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-57.3	-45.1	175.2	178.2	0	0	0	0	111	P232 M233 S238 V239 D240 Y321 L324	P232-V236 PolarHBondContact O-N 3.25Å; M233-V236 HydrophobicContact CE-CB 3.97Å; M233-V236 HydrophobicContact CE-CG1 3.91Å; M233-V236 HydrophobicContact CE-CG2 4.12Å; M233-V236 PolarHBondContact O-N 3.07Å; M233-V236 HydrophobicContact SD-CB 4.37Å; M233-V236 HydrophobicContact SD-CG2 3.96Å; V236-S238 PolarHBondContact O-N 2.98Å; V236-V239 PolarHBondContact O-N 3.08Å; V236-D240 WeakPolarHBondContact O-CB 3.46Å; V236-D240 PolarHBondContact O-N 2.71Å; V236-Y321 HydrophobicContact CG1-CD2 4.48Å; V236-Y321 HydrophobicContact CG1-CE2 3.86Å; V236-Y321 HydrophobicContact CG2-CD1 4.26Å; V236-Y321 HydrophobicContact CG2-CE1 4.18Å; V236-Y321 HydrophobicContact CG2-CE2 4.48Å; V236-Y321 HydrophobicContact CG2-CG 4.44Å; V236-L324 HydrophobicContact CG2-CD1 3.69Å
237	K	90.6	Very high	85.8	Confident	50 Å²	50	32 Å²	32	22%	0.217	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.2	-166	-179.1	-159.2	165.1	0	112.8	M233 V235 R241 F400	M233-K237 VanDerWaalsContact O-CB 3.24Å; M233-K237 WeakPolarHBondContact O-CB 3.3Å; M233-K237 PolarHBondContact O-N 2.82Å; V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 3.37Å; K237-R241 WeakPolarHBondContact O-CB 3.48Å; K237-R241 VanDerWaalsContact O-CG 3.3Å; K237-R241 WeakPolarHBondContact O-CG 3.43Å; K237-R241 PolarHBondContact O-N 3.37Å; K237-R241 VanDerWaalsContact O-N 3.14Å; K237-F400 HydrophobicContact CB-CE1 3.77Å; K237-F400 HydrophobicContact CB-CZ 3.77Å; K237-F400 HydrophobicContact CD-CD1 3.72Å; K237-F400 HydrophobicContact CD-CE1 3.67Å; K237-F400 HydrophobicContact CD-CG 4.4Å; K237-F400 HydrophobicContact CD-CZ 4.32Å; K237-F400 HydrophobicContact CG-CD1 4.25Å; K237-F400 HydrophobicContact CG-CE1 3.88Å; K237-F400 HydrophobicContact CG-CE2 4.49Å; K237-F400 HydrophobicContact CG-CZ 4.01Å
238	S	91.4	Very high	86.6	Confident	7 Å²	7	26.6 Å²	26.6	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-40.4	177.3	-58.2	0	0	0	0	111.7	F206 D234 V235 V236 M242	F206-S238 WeakPolarHBondContact CZ-O 3.33Å; D234-S238 WeakPolarHBondContact O-CB 3.46Å; D234-S238 PolarHBondContact O-N 3.11Å; D234-S238 PolarHBondContact O-OG 2.91Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 VanDerWaalsContact O-N 3.16Å; V236-S238 PolarHBondContact O-N 2.98Å; S238-M242 WeakPolarHBondContact O-CB 3.03Å; S238-M242 PolarHBondContact O-N 2.96Å
239	V	93.3	Very high	87.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-48.5	174.1	173.7	0	0	0	0	111.3	F206 I207 A210 V235 V236 R241 M242 V243 M319 Y321	F206-V239 HydrophobicContact CD1-CG2 4.31Å; F206-V239 HydrophobicContact CE1-CB 4.37Å; F206-V239 HydrophobicContact CE1-CG2 3.79Å; I207-V239 HydrophobicContact CD1-CG1 3.54Å; I207-V239 HydrophobicContact CD1-CG2 4.18Å; A210-V239 HydrophobicContact CB-CG2 3.76Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 2.96Å; V236-V239 PolarHBondContact O-N 3.08Å; V239-R241 VanDerWaalsContact C-N 3.35Å; V239-R241 PolarHBondContact O-N 2.91Å; V239-M242 PolarHBondContact O-N 3.45Å; V239-M242 VanDerWaalsContact O-N 3.17Å; V239-V243 HydrophobicContact CG1-CG2 4.13Å; V239-V243 WeakPolarHBondContact O-CG2 3.35Å; V239-V243 PolarHBondContact O-N 3.42Å; V239-M319 HydrophobicContact CG1-SD 3.8Å; V239-Y321 HydrophobicContact CG1-CE1 4.45Å; V239-Y321 VanDerWaalsContact CG1-OH 3.25Å; V239-Y321 WeakPolarHBondContact CG1-OH 3.45Å
240	D	90.8	Very high	87.9	Confident	43 Å²	43	26.8 Å²	26.8	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-43.8	179.2	-179.5	72.4	0	0	0	111.9	V236 T244 M319	V236-D240 WeakPolarHBondContact O-CB 3.46Å; V236-D240 PolarHBondContact O-N 2.71Å; D240-T244 WeakPolarHBondContact O-CB 3.37Å; D240-T244 VanDerWaalsContact O-CG2 3.3Å; D240-T244 WeakPolarHBondContact O-CG2 3.26Å; D240-T244 PolarHBondContact O-N 3.06Å; D240-T244 PolarHBondContact O-OG1 2.78Å; D240-M319 HydrophobicContact CB-CE 3.92Å; D240-M319 VanDerWaalsContact OD1-CE 3.27Å; D240-M319 WeakPolarHBondContact OD1-CE 3.2Å
241	R	90.3	Very high	88.3	Confident	105 Å²	105	24 Å²	24	40%	0.396	12%	0.124	S	C	.	.	H	α-helix	trans	-59.9	-46.5	172.4	-76.3	176.3	174.9	-161.7	0.9	113.2	A181 D182 K237 V239 T244 R245	A181-R241 HydrophobicContact CB-CB 4.32Å; D182-R241 IonicContact OD2-NH1 3.91Å; D182-R241 PolarHBondContact OD2-NH1 3.18Å; K237-R241 WeakPolarHBondContact O-CB 3.48Å; K237-R241 VanDerWaalsContact O-CG 3.3Å; K237-R241 WeakPolarHBondContact O-CG 3.43Å; K237-R241 PolarHBondContact O-N 3.37Å; K237-R241 VanDerWaalsContact O-N 3.14Å; V239-R241 VanDerWaalsContact C-N 3.35Å; V239-R241 PolarHBondContact O-N 2.91Å; R241-T244 PolarHBondContact O-OG1 2.04Å; R241-R245 WeakPolarHBondContact O-CB 3.46Å; R241-R245 PolarHBondContact O-N 3.11Å
242	M	91.7	Very high	87.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-51.1	-179.9	-178.3	-77.3	-69.5	0	0	110.7	A181 S203 F206 I207 S238 V239 R245 F246	A181-M242 HydrophobicContact CB-CB 4.15Å; S203-M242 PolarHBondContact OG-SD 2.78Å; S203-M242 VanDerWaalsContact OG-SD 3.37Å; F206-M242 HydrophobicContact CB-CE 4.08Å; F206-M242 HydrophobicContact CD1-CB 4.31Å; F206-M242 HydrophobicContact CD1-CE 3.58Å; F206-M242 HydrophobicContact CD1-CG 4.06Å; F206-M242 HydrophobicContact CD2-CB 4.39Å; F206-M242 HydrophobicContact CD2-CG 3.8Å; F206-M242 HydrophobicContact CE1-CB 3.93Å; F206-M242 HydrophobicContact CE1-CE 4.21Å; F206-M242 HydrophobicContact CE1-CG 4.17Å; F206-M242 HydrophobicContact CE2-CB 3.99Å; F206-M242 HydrophobicContact CE2-CG 3.89Å; F206-M242 HydrophobicContact CG-CE 3.9Å; F206-M242 HydrophobicContact CG-CG 3.89Å; F206-M242 HydrophobicContact CZ-CB 3.75Å; F206-M242 HydrophobicContact CZ-CG 4.08Å; I207-M242 HydrophobicContact CD1-CE 3.77Å; I207-M242 HydrophobicContact CG1-CE 3.96Å; S238-M242 WeakPolarHBondContact O-CB 3.03Å; S238-M242 PolarHBondContact O-N 2.96Å; V239-M242 PolarHBondContact O-N 3.45Å; V239-M242 VanDerWaalsContact O-N 3.17Å; M242-R245 PolarHBondContact O-N 3.36Å; M242-F246 HydrophobicContact CG-CD2 3.88Å; M242-F246 HydrophobicContact CG-CE2 4.05Å; M242-F246 WeakPolarHBondContact O-CD2 3.35Å; M242-F246 PolarHBondContact O-N 3.11Å; M242-F246 HydrophobicContact SD-CD2 3.92Å
243	V	90.9	Very high	87.1	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-43.2	-177	-178	0	0	0	0	111.3	V239 S247 V266 L268 V317 M319	V239-V243 HydrophobicContact CG1-CG2 4.13Å; V239-V243 WeakPolarHBondContact O-CG2 3.35Å; V239-V243 PolarHBondContact O-N 3.42Å; V243-S247 WeakPolarHBondContact O-CA 3.44Å; V243-S247 WeakPolarHBondContact O-CB 3.47Å; V243-S247 PolarHBondContact O-N 2.82Å; V243-V266 HydrophobicContact CG1-CG1 3.83Å; V243-V266 HydrophobicContact CG2-CG1 4Å; V243-L268 HydrophobicContact CG1-CD1 4.06Å; V243-L268 HydrophobicContact CG1-CD2 4Å; V243-L268 HydrophobicContact CG1-CG 4.11Å; V243-V317 HydrophobicContact CB-CG1 4.34Å; V243-V317 HydrophobicContact CG1-CG1 3.5Å; V243-M319 HydrophobicContact CB-SD 4.46Å; V243-M319 HydrophobicContact CG2-SD 4.24Å
244	T	88.4	Confident	86.5	Confident	41 Å²	41	35.5 Å²	35.5	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-66.2	-38.4	178	53.6	0	0	0	0	112.6	D240 R241	D240-T244 WeakPolarHBondContact O-CB 3.37Å; D240-T244 VanDerWaalsContact O-CG2 3.3Å; D240-T244 WeakPolarHBondContact O-CG2 3.26Å; D240-T244 PolarHBondContact O-N 3.06Å; D240-T244 PolarHBondContact O-OG1 2.78Å; R241-T244 PolarHBondContact O-OG1 2.04Å
245	R	87.3	Confident	86.2	Confident	94 Å²	94	38.3 Å²	38.3	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-67.5	-42.2	176.7	179.3	175.3	-86.8	125.6	-14.9	112.9	A181 D182 R241 M242	A181-R245 PolarHBondContact O-NH1 3.24Å; D182-R245 IonicContact OD1-CZ 2.86Å; D182-R245 IonicContact OD1-NH1 3.93Å; D182-R245 PolarHBondContact OD1-NH1 3.43Å; D182-R245 IonicContact OD1-NH2 3.7Å; D182-R245 PolarHBondContact OD1-NH2 2.83Å; R241-R245 WeakPolarHBondContact O-CB 3.46Å; R241-R245 PolarHBondContact O-N 3.11Å; M242-R245 PolarHBondContact O-N 3.36Å
246	F	87	Confident	85.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-89.3	-10.2	-179.3	-64.6	-60.7	0	0	0	114.4	L143 I199 L202 M242 P248 S249 L250	L143-F246 HydrophobicContact CD1-CE1 3.59Å; L143-F246 HydrophobicContact CD1-CZ 3.88Å; I199-F246 HydrophobicContact CD1-CD1 4.41Å; I199-F246 HydrophobicContact CG1-CD1 4.27Å; I199-F246 HydrophobicContact CG1-CE1 4.49Å; I199-F246 HydrophobicContact CG2-CB 3.98Å; I199-F246 HydrophobicContact CG2-CD1 4.04Å; I199-F246 HydrophobicContact CG2-CG 4.1Å; L202-F246 HydrophobicContact CD2-CD2 4.19Å; L202-F246 HydrophobicContact CD2-CE1 4.49Å; L202-F246 HydrophobicContact CD2-CE2 3.51Å; L202-F246 HydrophobicContact CD2-CZ 3.7Å; M242-F246 HydrophobicContact CG-CD2 3.88Å; M242-F246 HydrophobicContact CG-CE2 4.05Å; M242-F246 WeakPolarHBondContact O-CD2 3.35Å; M242-F246 PolarHBondContact O-N 3.11Å; M242-F246 HydrophobicContact SD-CD2 3.92Å; F246-P248 VanDerWaalsContact C-CD 3.48Å; F246-S249 WeakPolarHBondContact O-CB 3.08Å; F246-S249 PolarHBondContact O-N 2.68Å; F246-L250 HydrophobicContact CB-CD1 4.17Å; F246-L250 HydrophobicContact CB-CG 4.42Å; F246-L250 PolarHBondContact O-N 2.85Å
247	S	87.7	Confident	85.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-45.3	-46.9	178.6	167.8	0	0	0	0	114.8	V243 S249 L250 T251 L362	V243-S247 WeakPolarHBondContact O-CA 3.44Å; V243-S247 WeakPolarHBondContact O-CB 3.47Å; V243-S247 PolarHBondContact O-N 2.82Å; S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 2.86Å; S247-L250 PolarHBondContact O-N 2.85Å; S247-T251 PolarHBondContact O-N 3.01Å; S247-T251 PolarHBondContact O-OG1 3.35Å; S247-L362 WeakPolarHBondContact OG-CD1 3.15Å
248	P	83.6	Confident	85.7	Confident	49 Å²	49	44.7 Å²	44.7	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-28.5	-180	-21.5	34.4	0	0	0	113.7	F246 D365	F246-P248 VanDerWaalsContact C-CD 3.48Å; P248-D365 HydrophobicContact CG-CB 4.3Å
249	S	83.3	Confident	85.7	Confident	40 Å²	40	45.1 Å²	45.1	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-81.5	-37.2	176.8	-58	0	0	0	0	112.1	F246 S247	F246-S249 WeakPolarHBondContact O-CB 3.08Å; F246-S249 PolarHBondContact O-N 2.68Å; S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 2.86Å
250	L	83.3	Confident	85.5	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-37	177.2	-69	169.4	0	0	0	112.2	I199 F246 S247 T254 L268	I199-L250 HydrophobicContact CG2-CD2 3.97Å; I199-L250 HydrophobicContact CG2-CG 4.21Å; F246-L250 HydrophobicContact CB-CD1 4.17Å; F246-L250 HydrophobicContact CB-CG 4.42Å; F246-L250 PolarHBondContact O-N 2.85Å; S247-L250 PolarHBondContact O-N 2.85Å; L250-T254 PolarHBondContact O-OG1 2.89Å; L250-L268 HydrophobicContact CB-CD2 4.41Å; L250-L268 HydrophobicContact CD1-CD1 4.46Å; L250-L268 HydrophobicContact CD1-CD2 4.18Å
251	T	81.2	Confident	85.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9.6	-177.1	56.3	0	0	0	0	114.7	S247 E253 T254 L268 Q270 T315	S247-T251 PolarHBondContact O-N 3.01Å; S247-T251 PolarHBondContact O-OG1 3.35Å; T251-E253 PolarHBondContact O-N 3.17Å; T251-T254 WeakPolarHBondContact CA-O 3.46Å; T251-L268 HydrophobicContact CG2-CB 3.99Å; T251-L268 HydrophobicContact CG2-CD2 4.29Å; T251-Q270 HydrophobicContact CG2-CB 4.21Å; T251-Q270 PolarHBondContact O-NE2 3.1Å; T251-Q270 VanDerWaalsContact O-NE2 3.08Å; T251-Q270 PolarHBondContact OG1-OE1 3.38Å; T251-T315 HydrophobicContact CG2-CG2 4Å
252	A	76.5	Confident	85.3	Confident	71 Å²	71	49.4 Å²	49.4	59%	0.587	28%	0.275	S	S	*	.	S	Bend	trans	-67.2	-36.8	-173.3	0	0	0	0	0	114.6
253	E	70.3	Confident	85.1	Confident	138 Å²	138	50.3 Å²	50.3	65%	0.645	28%	0.28	S	S	*	.	S	Bend	trans	-109.1	-26.4	175.9	-69.9	-177.5	177.9	0	0	113.4	R196 T251	R196-E253 VanDerWaalsContact CZ-CD 3.42Å; R196-E253 IonicContact CZ-OE1 3.27Å; R196-E253 IonicContact CZ-OE2 2.6Å; R196-E253 IonicContact NH1-OE1 3.24Å; R196-E253 IonicContact NH1-OE2 3.93Å; R196-E253 PolarHBondContact NH1-OE2 2.88Å; R196-E253 VanDerWaalsContact NH2-CD 3.25Å; R196-E253 IonicContact NH2-OE1 3.82Å; R196-E253 PolarHBondContact NH2-OE1 3.45Å; R196-E253 IonicContact NH2-OE2 3.62Å; R196-E253 PolarHBondContact NH2-OE2 2.82Å; T251-E253 PolarHBondContact O-N 3.17Å
254	T	77.5	Confident	85.3	Confident	63 Å²	63	50.2 Å²	50.2	39%	0.387	28%	0.279	S	S	.	.			trans	-120.9	117	-171.2	44.3	0	0	0	0	110.7	L250 T251 H256 V257	L250-T254 PolarHBondContact O-OG1 2.89Å; T251-T254 WeakPolarHBondContact CA-O 3.46Å; T254-H256 PolarHBondContact O-N 2.86Å; T254-H256 VanDerWaalsContact O-N 3.1Å; T254-V257 WeakPolarHBondContact OG1-CG2 3.31Å
255	D	81.3	Confident	85.5	Confident	82 Å²	82	50.1 Å²	50.1	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-67.5	-5.8	177.7	-73.2	-44.2	0	0	0	113.6	Q269 Q270	D255-Q269 CarbonylContact O-C 3.48Å; D255-Q269 WeakPolarHBondContact O-CA 3.38Å; D255-Q270 PolarHBondContact O-N 2.8Å; D255-Q270 PolarHBondContact OD1-NE2 3.49Å
256	H	85.9	Confident	85.7	Confident	91 Å²	91	45.6 Å²	45.6	42%	0.421	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132	175.9	-178.8	-119	0	0	0	110.6	T254 T258 E267 L268	T254-H256 PolarHBondContact O-N 2.86Å; T254-H256 VanDerWaalsContact O-N 3.1Å; H256-T258 VanDerWaalsContact CE1-CG2 3.46Å; H256-T258 WeakPolarHBondContact CE1-CG2 3.2Å; H256-E267 IonicContact CD2-OE1 2.72Å; H256-E267 IonicContact CE1-OE1 2.78Å; H256-E267 IonicContact NE2-OE1 3.15Å; H256-E267 PolarHBondContact NE2-OE1 3.3Å; H256-L268 CarbonylContact C-O 3.56Å; H256-L268 WeakPolarHBondContact CA-O 3.16Å
257	V	88.8	Confident	86	Confident	23 Å²	23	47 Å²	47	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128.8	177.7	179.9	0	0	0	0	109	T254 E267 L268	T254-V257 WeakPolarHBondContact OG1-CG2 3.31Å; V257-E267 WeakPolarHBondContact O-CA 3.08Å; V257-L268 HydrophobicContact CB-CB 4.38Å; V257-L268 HydrophobicContact CB-CD1 4.29Å; V257-L268 HydrophobicContact CG1-CD1 4.38Å; V257-L268 PolarHBondContact N-O 2.91Å; V257-L268 PolarHBondContact O-N 3.12Å
258	T	89.4	Confident	86.1	Confident	75 Å²	75	47 Å²	47	46%	0.46	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.3	176.4	55.2	0	0	0	0	111.7	H256 V266 E267	H256-T258 VanDerWaalsContact CE1-CG2 3.46Å; H256-T258 WeakPolarHBondContact CE1-CG2 3.2Å; T258-V266 WeakPolarHBondContact CA-O 3.27Å; T258-E267 HydrophobicContact CG2-CB 4.19Å; T258-E267 HydrophobicContact CG2-CG 3.98Å
259	I	90.5	Very high	86.3	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.087	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.4	168.2	-53.6	177.1	0	0	0	107	I207 V266	I207-I259 HydrophobicContact CB-CG2 4.05Å; I207-I259 HydrophobicContact CG1-CG2 4.11Å; I207-I259 HydrophobicContact CG2-CG2 4.05Å; I259-V266 HydrophobicContact CB-CB 4.31Å; I259-V266 PolarHBondContact N-O 3.46Å; I259-V266 PolarHBondContact O-N 3.11Å
260	H	89.3	Confident	86.5	Confident	113 Å²	113	45.5 Å²	45.5	52%	0.523	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	119.5	-172.9	177.7	-105.8	0	0	0	110.9
261	T	90.5	Very high	86.3	Confident	22 Å²	22	46.1 Å²	46.1	14%	0.135	25%	0.252	C	S	.	.			trans	-124.5	170.5	172.9	55.1	0	0	0	0	108.4	I207 D211 N263 I264	I207-T261 HydrophobicContact CG2-CG2 3.96Å; D211-T261 VanDerWaalsContact CG-OG1 3.3Å; D211-T261 WeakPolarHBondContact OD1-CB 3.19Å; D211-T261 PolarHBondContact OD1-OG1 3.37Å; T261-N263 VanDerWaalsContact C-N 3.29Å; T261-N263 PolarHBondContact O-N 2.89Å; T261-I264 PolarHBondContact N-O 3.05Å; T261-I264 VanDerWaalsContact O-O 3.06Å; T261-I264 PolarHBondContact OG1-O 2.75Å
262	P	86.3	Confident	86.2	Confident	103 Å²	103	55.2 Å²	55.2	67%	0.669	29%	0.286	S	S	*	.	S	Bend	trans	-59.1	-34.7	-171.4	-27.2	36.4	0	0	0	115.1
263	N	89.3	Confident	86.1	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.102	27%	0.265	C	S	.	.	S	Bend	trans	-106.6	-20.7	-174.7	-55.5	-71.2	0	0	0	112.9	D211 I214 T261 Y321 G322 S323	D211-N263 VanDerWaalsContact OD1-CA 3.31Å; D211-N263 WeakPolarHBondContact OD1-CA 3.41Å; D211-N263 VanDerWaalsContact OD1-CB 3.3Å; D211-N263 WeakPolarHBondContact OD1-CB 3.19Å; D211-N263 PolarHBondContact OD1-N 3.27Å; D211-N263 PolarHBondContact OD2-ND2 3.41Å; I214-N263 HydrophobicContact CD1-CB 4.15Å; I214-N263 HydrophobicContact CG1-CB 4.12Å; T261-N263 VanDerWaalsContact C-N 3.29Å; T261-N263 PolarHBondContact O-N 2.89Å; N263-Y321 WeakPolarHBondContact O-CA 3.34Å; N263-G322 PolarHBondContact O-N 3.32Å; N263-S323 VanDerWaalsContact OD1-CB 3.24Å; N263-S323 WeakPolarHBondContact OD1-CB 3.31Å; N263-S323 PolarHBondContact OD1-OG 3.08Å
264	I	93.3	Very high	85.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.6	-178.1	-49.8	179	0	0	0	111.7	I207 A210 D211 I214 T261 V266 W320 Y321	I207-I264 HydrophobicContact CG2-CB 4.08Å; I207-I264 HydrophobicContact CG2-CD1 4.38Å; I207-I264 HydrophobicContact CG2-CG2 4.1Å; A210-I264 HydrophobicContact CB-CD1 3.73Å; D211-I264 HydrophobicContact CB-CD1 4.16Å; D211-I264 HydrophobicContact CB-CG1 4.29Å; D211-I264 PolarHBondContact OD1-N 2.87Å; I214-I264 HydrophobicContact CD1-CD1 3.92Å; I214-I264 HydrophobicContact CD1-CG1 3.62Å; I214-I264 HydrophobicContact CG1-CD1 4.4Å; I214-I264 HydrophobicContact CG1-CG1 4.36Å; T261-I264 PolarHBondContact N-O 3.05Å; T261-I264 VanDerWaalsContact O-O 3.06Å; T261-I264 PolarHBondContact OG1-O 2.75Å; I264-V266 HydrophobicContact CG2-CG2 4.01Å; I264-W320 WeakPolarHBondContact CA-O 3.38Å; I264-Y321 HydrophobicContact CD1-CD1 4.31Å; I264-Y321 HydrophobicContact CD1-CE1 4.21Å; I264-Y321 HydrophobicContact CG1-CD1 3.99Å; I264-Y321 HydrophobicContact CG1-CE1 4.28Å; I264-Y321 HydrophobicContact CG2-CD1 4.22Å; I264-Y321 HydrophobicContact CG2-CE1 4.01Å
265	K	92.8	Very high	84.4	Confident	39 Å²	39	55.3 Å²	55.3	17%	0.17	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.1	164.3	-173.3	-175.9	173.1	-169.6	0	109.7	F282 C283 M319 W320	K265-F282 HydrophobicContact CB-CZ 4.21Å; K265-F282 HydrophobicContact CD-CE2 3.71Å; K265-F282 HydrophobicContact CD-CZ 3.98Å; K265-F282 HydrophobicContact CG-CE2 3.92Å; K265-F282 HydrophobicContact CG-CZ 4.02Å; K265-C283 PolarHBondContact NZ-O 3.18Å; K265-M319 CarbonylContact O-C 3.56Å; K265-M319 VanDerWaalsContact O-CA 3.24Å; K265-M319 WeakPolarHBondContact O-CA 3.39Å; K265-W320 HydrophobicContact CB-CB 4.41Å; K265-W320 HydrophobicContact CB-CE3 4.36Å; K265-W320 PolarHBondContact N-O 3.27Å; K265-W320 PolarHBondContact O-N 3.3Å
266	V	93.2	Very high	83.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.8	172.9	-174.5	0	0	0	0	108.9	I207 V243 T258 I259 I264 L268 M319	I207-V266 HydrophobicContact CD1-CG2 3.79Å; I207-V266 HydrophobicContact CG1-CG2 4.31Å; V243-V266 HydrophobicContact CG1-CG1 3.83Å; V243-V266 HydrophobicContact CG2-CG1 4Å; T258-V266 WeakPolarHBondContact CA-O 3.27Å; I259-V266 HydrophobicContact CB-CB 4.31Å; I259-V266 PolarHBondContact N-O 3.46Å; I259-V266 PolarHBondContact O-N 3.11Å; I264-V266 HydrophobicContact CG2-CG2 4.01Å; V266-L268 HydrophobicContact CG1-CD1 3.94Å; V266-M319 HydrophobicContact CB-CG 4.38Å; V266-M319 HydrophobicContact CG1-CG 4.04Å; V266-M319 HydrophobicContact CG2-CG 4.13Å
267	E	91.6	Very high	81.7	Confident	28 Å²	28	53.1 Å²	53.1	13%	0.131	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.3	172.9	179.3	167	-93	0	0	110.3	H256 V257 T258 F282 N318	H256-E267 IonicContact CD2-OE1 2.72Å; H256-E267 IonicContact CE1-OE1 2.78Å; H256-E267 IonicContact NE2-OE1 3.15Å; H256-E267 PolarHBondContact NE2-OE1 3.3Å; V257-E267 WeakPolarHBondContact O-CA 3.08Å; T258-E267 HydrophobicContact CG2-CB 4.19Å; T258-E267 HydrophobicContact CG2-CG 3.98Å; E267-F282 HydrophobicContact CB-CD2 3.56Å; E267-F282 HydrophobicContact CB-CE2 3.56Å; E267-F282 HydrophobicContact CG-CD2 4.27Å; E267-F282 WeakPolarHBondContact OE2-CD2 3.31Å; E267-N318 PolarHBondContact N-O 3.19Å; E267-N318 PolarHBondContact O-N 3.32Å
268	L	90.6	Very high	80.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	168.7	-57.5	90	0	0	0	108	V243 L250 T251 H256 V257 V266 L316 V317	V243-L268 HydrophobicContact CG1-CD1 4.06Å; V243-L268 HydrophobicContact CG1-CD2 4Å; V243-L268 HydrophobicContact CG1-CG 4.11Å; L250-L268 HydrophobicContact CB-CD2 4.41Å; L250-L268 HydrophobicContact CD1-CD1 4.46Å; L250-L268 HydrophobicContact CD1-CD2 4.18Å; T251-L268 HydrophobicContact CG2-CB 3.99Å; T251-L268 HydrophobicContact CG2-CD2 4.29Å; H256-L268 CarbonylContact C-O 3.56Å; H256-L268 WeakPolarHBondContact CA-O 3.16Å; V257-L268 HydrophobicContact CB-CB 4.38Å; V257-L268 HydrophobicContact CB-CD1 4.29Å; V257-L268 HydrophobicContact CG1-CD1 4.38Å; V257-L268 PolarHBondContact N-O 2.91Å; V257-L268 PolarHBondContact O-N 3.12Å; V266-L268 HydrophobicContact CG1-CD1 3.94Å; L268-L316 CarbonylContact C-O 3.6Å; L268-L316 WeakPolarHBondContact CA-O 3.47Å; L268-V317 HydrophobicContact CD2-CG2 4.19Å; L268-V317 HydrophobicContact CG-CG2 4.3Å
269	Q	88.7	Confident	79.1	Confident	37 Å²	37	57.9 Å²	57.9	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.9	174	-177.7	174.6	76.5	0	0	109.6	D255 L316	D255-Q269 CarbonylContact O-C 3.48Å; D255-Q269 WeakPolarHBondContact O-CA 3.38Å; Q269-L316 HydrophobicContact CB-CB 4.46Å; Q269-L316 PolarHBondContact N-O 2.96Å; Q269-L316 PolarHBondContact O-N 3.48Å
270	Q	86.4	Confident	78.1	Confident	21 Å²	21	63.2 Å²	63.2	10%	0.098	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.8	170.9	-177.5	178.5	-101.4	0	0	109.6	T251 D255 K313 I314 T315	T251-Q270 HydrophobicContact CG2-CB 4.21Å; T251-Q270 PolarHBondContact O-NE2 3.1Å; T251-Q270 VanDerWaalsContact O-NE2 3.08Å; T251-Q270 PolarHBondContact OG1-OE1 3.38Å; D255-Q270 PolarHBondContact O-N 2.8Å; D255-Q270 PolarHBondContact OD1-NE2 3.49Å; Q270-K313 HydrophobicContact CG-CG 4.47Å; Q270-I314 CarbonylContact C-O 3.5Å; Q270-I314 WeakPolarHBondContact CA-O 3.36Å; Q270-T315 HydrophobicContact CB-CG2 4.38Å
271	Q	80	Confident	77.6	Confident	25 Å²	25	61 Å²	61	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.3	-179.7	-172.2	162.9	114.8	0	0	110.5	S277 R278 I314	Q271-S277 PolarHBondContact OE1-OG 3.34Å; Q271-R278 PolarHBondContact NE2-O 3.21Å; Q271-I314 PolarHBondContact N-O 3.43Å; Q271-I314 PolarHBondContact O-N 2.93Å
272	R	79	Confident	77.4	Confident	192 Å²	192	60 Å²	60	73%	0.725	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	129.9	168.3	-57.4	-177.4	-168.7	-160.2	0.3	108.6	G274 Y312	R272-G274 PolarHBondContact O-N 3.45Å; R272-Y312 WeakPolarHBondContact CA-O 3.44Å
273	L	73	Confident	77.5	Confident	28 Å²	28	56.5 Å²	56.5	15%	0.147	30%	0.295	C	S	.	.			trans	-78.1	115.5	-174.2	-72.3	165.8	0	0	0	111.3	I303 Q307 F311 Y312 I314	L273-I303 HydrophobicContact CD2-CG2 3.68Å; L273-Q307 HydrophobicContact CB-CB 4.25Å; L273-Q307 HydrophobicContact CB-CG 3.97Å; L273-Q307 HydrophobicContact CD1-CB 4.05Å; L273-Q307 HydrophobicContact CD2-CB 4.37Å; L273-Q307 HydrophobicContact CG-CB 4.46Å; L273-F311 HydrophobicContact CD1-CB 4.17Å; L273-F311 VanDerWaalsContact CD1-O 3.23Å; L273-F311 WeakPolarHBondContact CD1-O 3.3Å; L273-Y312 PolarHBondContact N-O 2.78Å; L273-I314 HydrophobicContact CD1-CD1 3.76Å; L273-I314 HydrophobicContact CD1-CG1 3.93Å; L273-I314 HydrophobicContact CD2-CD1 4.16Å; L273-I314 HydrophobicContact CG-CD1 4.29Å; L273-I314 HydrophobicContact CG-CG1 4.43Å
274	G	66.8	Low	77	Confident	33 Å²	33	56 Å²	56	34%	0.34	29%	0.293	S	S	.	.			trans	-164.9	169.8	-176	0	0	0	0	0	112.6	R272 G276 S277	R272-G274 PolarHBondContact O-N 3.45Å; G274-G276 PolarHBondContact O-N 3.18Å; G274-S277 PolarHBondContact O-N 2.9Å
275	E	46.5	Very low	76.1	Confident	212 Å²	212	58.8 Å²	58.8	99%	0.991	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	119.4	-176.1	-72.4	-167.8	119.1	0	0	112.3
276	G	56	Low	74.5	Confident	74 Å²	74	59.6 Å²	59.6	76%	0.763	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	0.5	173.2	0	0	0	0	0	116	G274 R278	G274-G276 PolarHBondContact O-N 3.18Å; G276-R278 PolarHBondContact O-N 2.91Å
277	S	54.8	Low	72.2	Confident	53 Å²	53	64.2 Å²	64.2	37%	0.371	36%	0.363	S	S	.	.			trans	-61.8	135.9	178.1	80.7	0	0	0	0	111.8	Q271 G274	Q271-S277 PolarHBondContact OE1-OG 3.34Å; G274-S277 PolarHBondContact O-N 2.9Å
278	R	59.2	Low	69.7	Low	182 Å²	182	72 Å²	72	69%	0.687	40%	0.4	S	S	*	.			trans	-111.8	120.1	174.5	-67.4	-176.5	-179.2	-172.9	1.7	108	Q271 G276	Q271-R278 PolarHBondContact NE2-O 3.21Å; G276-R278 PolarHBondContact O-N 2.91Å
279	V	63.4	Low	67.3	Low	16 Å²	16	76.7 Å²	76.7	10%	0.097	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-87.6	130.1	155.9	171.8	0	0	0	0	107.5	I303 L316	V279-I303 HydrophobicContact CB-CD1 3.78Å; V279-I303 HydrophobicContact CG1-CD1 4.08Å; V279-I303 HydrophobicContact CG2-CD1 3.55Å; V279-L316 HydrophobicContact CB-CD1 4.34Å; V279-L316 HydrophobicContact CG1-CD1 3.48Å; V279-L316 VanDerWaalsContact CG1-CD1 3.48Å; V279-L316 HydrophobicContact CG2-CD1 3.88Å
280	E	68.9	Low	65.5	Low	130 Å²	130	83.1 Å²	83.1	61%	0.607	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-99.1	161.8	174.2	-55	-159.1	143.4	0	0	109.1
281	S	80.3	Confident	63.9	Low	66 Å²	66	85.8 Å²	85.8	46%	0.462	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-79.3	123.3	178.2	49.9	0	0	0	0	110.1	C283 I296	S281-C283 PolarHBondContact O-N 3Å; S281-I296 WeakPolarHBondContact CA-O 3.35Å
282	F	86.6	Confident	62.9	Low	2 Å²	2	88.5 Å²	88.5	1%	0.009	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.1	166.5	170.5	-103.4	0	0	0	108.9	K265 E267 C295 I296 N318 W320 I357	K265-F282 HydrophobicContact CB-CZ 4.21Å; K265-F282 HydrophobicContact CD-CE2 3.71Å; K265-F282 HydrophobicContact CD-CZ 3.98Å; K265-F282 HydrophobicContact CG-CE2 3.92Å; K265-F282 HydrophobicContact CG-CZ 4.02Å; E267-F282 HydrophobicContact CB-CD2 3.56Å; E267-F282 HydrophobicContact CB-CE2 3.56Å; E267-F282 HydrophobicContact CG-CD2 4.27Å; E267-F282 WeakPolarHBondContact OE2-CD2 3.31Å; F282-C295 CarbonylContact O-C 3.56Å; F282-C295 WeakPolarHBondContact O-CA 3.39Å; F282-I296 HydrophobicContact CB-CG2 4.16Å; F282-I296 HydrophobicContact CD1-CG2 3.91Å; F282-I296 PolarHBondContact N-O 2.8Å; F282-I296 VanDerWaalsContact N-O 3.11Å; F282-I296 PolarHBondContact O-N 2.89Å; F282-N318 HydrophobicContact CB-CB 3.59Å; F282-N318 HydrophobicContact CD1-CB 3.55Å; F282-N318 HydrophobicContact CD2-CB 3.76Å; F282-N318 HydrophobicContact CE1-CB 4.05Å; F282-N318 HydrophobicContact CE2-CB 4.23Å; F282-N318 HydrophobicContact CG-CB 3.36Å; F282-N318 HydrophobicContact CZ-CB 4.36Å; F282-W320 HydrophobicContact CE1-CB 3.74Å; F282-W320 HydrophobicContact CZ-CB 3.91Å; F282-I357 HydrophobicContact CD1-CD1 4.15Å; F282-I357 HydrophobicContact CD1-CG1 4.33Å; F282-I357 HydrophobicContact CE1-CD1 4.29Å; F282-I357 HydrophobicContact CE1-CG1 4.2Å
283	C	87.4	Confident	62.9	Low	29 Å²	29	81.4 Å²	81.4	20%	0.196	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.9	176.8	-63.8	0	0	0	0	110.9	K265 S281 I293 D294 C295	K265-C283 PolarHBondContact NZ-O 3.18Å; S281-C283 PolarHBondContact O-N 3Å; C283-I293 HydrophobicContact CB-CG2 3.83Å; C283-D294 CarbonylContact C-O 3.55Å; C283-D294 WeakPolarHBondContact CA-O 3.34Å; C283-C295 HydrophobicContact CB-CB 4.11Å; C283-C295 WeakPolarHBondContact CB-SG 3.41Å; C283-C295 WeakPolarHBondContact SG-CB 3.3Å; C283-C295 CovalentContact SG-SG 2.04Å; C283-C295 PolarHBondContact SG-SG 3.23Å
284	G	79.1	Confident	63.6	Low	7 Å²	7	80.6 Å²	80.6	7%	0.072	47%	0.471	C	S	.	.			trans	-65.8	171.2	172.4	0	0	0	0	0	113	G286 D294	G284-G286 PolarHBondContact O-N 3.28Å; G284-D294 PolarHBondContact N-O 2.82Å
285	P	73.4	Confident	64.8	Low	59 Å²	59	80.1 Å²	80.1	38%	0.383	46%	0.462	S	S	.	.	S	Bend	trans	-66.8	123.8	177.7	27.7	-32.7	0	0	0	111.1	W320	P285-W320 VanDerWaalsContact CD-CE3 3.49Å; P285-W320 VanDerWaalsContact CD-CZ3 3.49Å; P285-W320 HydrophobicContact CG-CE3 4.03Å; P285-W320 HydrophobicContact CG-CH2 3.6Å; P285-W320 HydrophobicContact CG-CZ2 4.25Å; P285-W320 HydrophobicContact CG-CZ3 3.48Å; P285-W320 VanDerWaalsContact CG-CZ3 3.48Å
286	G	58.9	Low	67	Low	57 Å²	57	70 Å²	70	59%	0.588	42%	0.415	S	S	*	.			trans	-153.6	151.5	-178.3	0	0	0	0	0	112.4	G284	G284-G286 PolarHBondContact O-N 3.28Å
287	S	44.8	Very low	68.6	Low	96 Å²	96	68.8 Å²	68.8	67%	0.671	40%	0.395	S	S	*	.			trans	-75.4	165	175.4	-165.6	0	0	0	0	111.6	T289	S287-T289 PolarHBondContact O-N 2.88Å
288	E	39.6	Very low	70.3	Confident	191 Å²	191	66.7 Å²	66.7	89%	0.893	38%	0.379	S	S	*	.	S	Bend	trans	-65.2	9.1	-161.2	-55.6	-179.4	133	0	0	116.5	L290	E288-L290 PolarHBondContact O-N 3Å
289	T	40.7	Very low	71.6	Confident	100 Å²	100	59.5 Å²	59.5	61%	0.613	36%	0.356	S	S	*	.			trans	-85.6	100.5	176.9	52	0	0	0	0	111.8	S287 S291	S287-T289 PolarHBondContact O-N 2.88Å; T289-S291 PolarHBondContact O-N 3.48Å
290	L	50.3	Low	72.5	Confident	172 Å²	172	66.3 Å²	66.3	90%	0.901	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	10.2	-166.5	-123.1	79.3	0	0	0	120	E288	E288-L290 PolarHBondContact O-N 3Å
291	S	52.3	Low	73.2	Confident	78 Å²	78	67.1 Å²	67.1	55%	0.545	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-3.6	-166.1	65.4	0	0	0	0	116.9	T289	T289-S291 PolarHBondContact O-N 3.48Å
292	L	60.7	Low	73.5	Confident	82 Å²	82	67.9 Å²	67.9	43%	0.429	38%	0.379	S	S	.	.	S	Bend	trans	-139.8	59.5	-173.2	-76.6	167.5	0	0	0	111.3	Y425	L292-Y425 HydrophobicContact CD2-CD1 3.88Å
293	I	78.1	Confident	73.3	Confident	43 Å²	43	68.4 Å²	68.4	22%	0.221	38%	0.382	C	S	.	.			trans	-125	139.7	-179.9	-46.6	178.2	0	0	0	109.3	C283 C295 Q375	C283-I293 HydrophobicContact CB-CG2 3.83Å; I293-C295 PolarHBondContact O-N 2.82Å; I293-Q375 PolarHBondContact O-NE2 3.23Å
294	D	88.6	Confident	73.1	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.059	40%	0.397	C	S	.	.			trans	-67.1	119.3	168.5	-72.7	-22.7	0	0	0	109.3	C283 G284 W320 A355 Q375 L376 Q377	C283-D294 CarbonylContact C-O 3.55Å; C283-D294 WeakPolarHBondContact CA-O 3.34Å; G284-D294 PolarHBondContact N-O 2.82Å; D294-W320 PolarHBondContact OD2-NE1 2.98Å; D294-A355 VanDerWaalsContact OD2-CB 3.31Å; D294-A355 WeakPolarHBondContact OD2-CB 3.27Å; D294-Q375 CarbonylContact C-O 3.43Å; D294-Q375 WeakPolarHBondContact CA-O 3.39Å; D294-L376 HydrophobicContact CB-CD2 3.75Å; D294-L376 WeakPolarHBondContact OD1-CA 3.3Å; D294-Q377 WeakPolarHBondContact OD1-CB 3.47Å; D294-Q377 PolarHBondContact OD1-N 2.66Å
295	C	91.4	Very high	73.3	Confident	22 Å²	22	75 Å²	75	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.7	-177	-59.7	0	0	0	0	112.8	F282 C283 I293 F374 Q375	F282-C295 CarbonylContact O-C 3.56Å; F282-C295 WeakPolarHBondContact O-CA 3.39Å; C283-C295 HydrophobicContact CB-CB 4.11Å; C283-C295 WeakPolarHBondContact CB-SG 3.41Å; C283-C295 WeakPolarHBondContact SG-CB 3.3Å; C283-C295 CovalentContact SG-SG 2.04Å; C283-C295 PolarHBondContact SG-SG 3.23Å; I293-C295 PolarHBondContact O-N 2.82Å; C295-F374 CarbonylContact O-C 3.57Å; C295-F374 WeakPolarHBondContact O-CA 3.47Å; C295-F374 WeakPolarHBondContact O-CB 3.47Å; C295-Q375 PolarHBondContact N-O 3.47Å; C295-Q375 PolarHBondContact O-N 3.28Å
296	I	92.4	Very high	73.9	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.3	170.9	-168.7	155.1	0	0	0	110.4	S281 F282 I357 V372 H373 F374 F436	S281-I296 WeakPolarHBondContact CA-O 3.35Å; F282-I296 HydrophobicContact CB-CG2 4.16Å; F282-I296 HydrophobicContact CD1-CG2 3.91Å; F282-I296 PolarHBondContact N-O 2.8Å; F282-I296 VanDerWaalsContact N-O 3.11Å; F282-I296 PolarHBondContact O-N 2.89Å; I296-I357 HydrophobicContact CB-CD1 3.84Å; I296-I357 HydrophobicContact CB-CG1 4.2Å; I296-I357 HydrophobicContact CD1-CG2 4.23Å; I296-I357 HydrophobicContact CG2-CD1 3.82Å; I296-I357 HydrophobicContact CG2-CG1 3.97Å; I296-V372 HydrophobicContact CD1-CB 4.29Å; I296-V372 HydrophobicContact CD1-CG2 4.26Å; I296-V372 HydrophobicContact CG1-CB 4.3Å; I296-H373 CarbonylContact C-O 3.52Å; I296-F374 HydrophobicContact CB-CB 4.03Å; I296-F374 HydrophobicContact CD1-CB 4.15Å; I296-F374 HydrophobicContact CD1-CD1 4.35Å; I296-F374 HydrophobicContact CG1-CB 3.96Å; I296-F436 HydrophobicContact CD1-CD2 3.81Å; I296-F436 HydrophobicContact CD1-CE2 4.12Å
297	S	90.2	Very high	75	Confident	47 Å²	47	73.8 Å²	73.8	33%	0.329	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.5	-179.8	61.1	0	0	0	0	111.8	H373	S297-H373 PolarHBondContact N-O 3.41Å; S297-H373 PolarHBondContact O-N 2.84Å; S297-H373 PolarHBondContact OG-O 3.16Å
298	V	89.1	Confident	76.8	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.055	39%	0.386	C	S	.	.			trans	-86.5	125.6	169.5	-179.9	0	0	0	0	108.3	R300 I303 L316 V361 M370 V372	V298-R300 PolarHBondContact O-N 3.07Å; V298-I303 HydrophobicContact CB-CD1 4.13Å; V298-I303 HydrophobicContact CB-CG1 4.37Å; V298-I303 HydrophobicContact CG1-CD1 3.97Å; V298-I303 HydrophobicContact CG1-CG1 3.66Å; V298-L316 HydrophobicContact CG2-CD2 4.19Å; V298-V361 HydrophobicContact CG2-CG2 4.06Å; V298-M370 HydrophobicContact CG1-CE 3.37Å; V298-M370 HydrophobicContact CG1-CG 4.27Å; V298-M370 HydrophobicContact CG1-SD 3.69Å; V298-V372 HydrophobicContact CG2-CG1 4.33Å
299	P	87.7	Confident	79	Confident	31 Å²	31	72.3 Å²	72.3	20%	0.201	38%	0.375	C	S	.	.			trans	-60.1	130.2	178.8	-28.1	38.8	0	0	0	112.1	Q301 K302 I303 A371	P299-Q301 PolarHBondContact O-N 3.15Å; P299-K302 WeakPolarHBondContact O-CA 3.39Å; P299-K302 PolarHBondContact O-N 2.83Å; P299-I303 PolarHBondContact O-N 2.82Å; P299-A371 WeakPolarHBondContact CD-O 3.24Å
300	R	82.1	Confident	80.9	Confident	160 Å²	160	70.2 Å²	70.2	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-53.8	-31.4	-178.1	-65	-179.6	-179.1	155.3	2.5	113.7	V298 K302 I303 Q304	V298-R300 PolarHBondContact O-N 3.07Å; R300-K302 VanDerWaalsContact C-N 3.34Å; R300-K302 PolarHBondContact O-N 2.72Å; R300-I303 PolarHBondContact O-N 2.95Å; R300-Q304 WeakPolarHBondContact O-CG 3.45Å; R300-Q304 PolarHBondContact O-N 3.01Å
301	Q	84.2	Confident	82.5	Confident	146 Å²	146	64.9 Å²	64.9	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-59.5	-41.4	172.8	-69	174.9	-15.1	0	0	112.2	P299 I303 Q304 D305	P299-Q301 PolarHBondContact O-N 3.15Å; Q301-I303 VanDerWaalsContact C-N 3.32Å; Q301-I303 PolarHBondContact O-N 2.75Å; Q301-Q304 PolarHBondContact O-N 2.82Å; Q301-D305 PolarHBondContact O-N 3.44Å
302	K	86.2	Confident	83.9	Confident	83 Å²	83	68.6 Å²	68.6	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-72.8	-24.5	178.1	-65.1	-47.6	-171.1	-179	0	113.7	P299 R300 D305 L306 M370 A371	P299-K302 WeakPolarHBondContact O-CA 3.39Å; P299-K302 PolarHBondContact O-N 2.83Å; R300-K302 VanDerWaalsContact C-N 3.34Å; R300-K302 PolarHBondContact O-N 2.72Å; K302-D305 WeakPolarHBondContact CD-OD2 3.47Å; K302-D305 WeakPolarHBondContact CE-OD2 3.24Å; K302-D305 IonicContact NZ-OD2 3.93Å; K302-D305 PolarHBondContact NZ-OD2 3.4Å; K302-L306 WeakPolarHBondContact O-CG 3.35Å; K302-L306 PolarHBondContact O-N 2.86Å; K302-M370 HydrophobicContact CB-CE 3.48Å; K302-M370 VanDerWaalsContact CB-CE 3.48Å; K302-M370 WeakPolarHBondContact O-CE 3.49Å; K302-A371 HydrophobicContact CG-CB 4.44Å
303	I	82.5	Confident	85	Confident	13 Å²	13	66.2 Å²	66.2	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-74.9	-38.3	171.9	-50.9	-172.1	0	0	0	110.4	L273 V279 V298 P299 R300 Q301 L306 Q307 I314 M370	L273-I303 HydrophobicContact CD2-CG2 3.68Å; V279-I303 HydrophobicContact CB-CD1 3.78Å; V279-I303 HydrophobicContact CG1-CD1 4.08Å; V279-I303 HydrophobicContact CG2-CD1 3.55Å; V298-I303 HydrophobicContact CB-CD1 4.13Å; V298-I303 HydrophobicContact CB-CG1 4.37Å; V298-I303 HydrophobicContact CG1-CD1 3.97Å; V298-I303 HydrophobicContact CG1-CG1 3.66Å; P299-I303 PolarHBondContact O-N 2.82Å; R300-I303 PolarHBondContact O-N 2.95Å; Q301-I303 VanDerWaalsContact C-N 3.32Å; Q301-I303 PolarHBondContact O-N 2.75Å; I303-L306 PolarHBondContact O-N 2.84Å; I303-Q307 PolarHBondContact O-N 3.45Å; I303-I314 HydrophobicContact CG2-CD1 4.22Å; I303-M370 HydrophobicContact CG1-CE 4.41Å
304	Q	82.1	Confident	85.5	Confident	110 Å²	110	64.5 Å²	64.5	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-37.5	171.7	-70.5	171.4	-15.2	0	0	112.3	R300 Q301 L306 Q307 N308	R300-Q304 WeakPolarHBondContact O-CG 3.45Å; R300-Q304 PolarHBondContact O-N 3.01Å; Q301-Q304 PolarHBondContact O-N 2.82Å; Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 PolarHBondContact O-N 2.79Å; Q304-Q307 PolarHBondContact O-N 2.82Å; Q304-N308 VanDerWaalsContact O-CG 3.29Å; Q304-N308 PolarHBondContact O-N 3.13Å; Q304-N308 PolarHBondContact O-ND2 2.9Å; Q304-N308 VanDerWaalsContact O-ND2 3.11Å
305	D	84.9	Confident	85.5	Confident	63 Å²	63	64 Å²	64	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-56.4	-41.3	171.7	-72.4	-13.9	0	0	0	111.2	Q301 K302 N308 N309	Q301-D305 PolarHBondContact O-N 3.44Å; K302-D305 WeakPolarHBondContact CD-OD2 3.47Å; K302-D305 WeakPolarHBondContact CE-OD2 3.24Å; K302-D305 IonicContact NZ-OD2 3.93Å; K302-D305 PolarHBondContact NZ-OD2 3.4Å; D305-N308 PolarHBondContact O-N 3.32Å; D305-N309 WeakPolarHBondContact O-CB 3.24Å; D305-N309 PolarHBondContact O-N 2.99Å; D305-N309 PolarHBondContact O-ND2 3.38Å; D305-N309 VanDerWaalsContact O-ND2 3.09Å
306	L	84.1	Confident	85.5	Confident	12 Å²	12	63.2 Å²	63.2	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-40.3	177.2	-67.6	173.6	0	0	0	112.8	K302 I303 Q304 N308 N309 G310 F311 I314 I368 M370	K302-L306 WeakPolarHBondContact O-CG 3.35Å; K302-L306 PolarHBondContact O-N 2.86Å; I303-L306 PolarHBondContact O-N 2.84Å; Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 PolarHBondContact O-N 2.79Å; L306-N308 VanDerWaalsContact C-N 3.33Å; L306-N308 PolarHBondContact O-N 3.32Å; L306-N309 PolarHBondContact O-N 3.14Å; L306-N309 VanDerWaalsContact O-N 3.16Å; L306-G310 PolarHBondContact O-N 3.28Å; L306-F311 HydrophobicContact CB-CD2 4.07Å; L306-F311 HydrophobicContact CD2-CD2 3.78Å; L306-F311 HydrophobicContact CD2-CE2 3.84Å; L306-F311 WeakPolarHBondContact O-CD2 3.39Å; L306-F311 PolarHBondContact O-N 3.12Å; L306-I314 HydrophobicContact CB-CD1 3.98Å; L306-I314 HydrophobicContact CD1-CD1 3.51Å; L306-I314 HydrophobicContact CG-CD1 4.39Å; L306-I368 HydrophobicContact CD2-CD1 4.07Å; L306-I368 HydrophobicContact CD2-CG2 4.08Å; L306-M370 HydrophobicContact CD1-CE 3.55Å; L306-M370 HydrophobicContact CD1-SD 3.85Å; L306-M370 HydrophobicContact CG-CE 4.29Å
307	Q	82.3	Confident	85.5	Confident	80 Å²	80	63.1 Å²	63.1	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-42	173.1	-170.8	177	13.2	0	0	111.8	L273 I303 Q304 N309 G310	L273-Q307 HydrophobicContact CB-CB 4.25Å; L273-Q307 HydrophobicContact CB-CG 3.97Å; L273-Q307 HydrophobicContact CD1-CB 4.05Å; L273-Q307 HydrophobicContact CD2-CB 4.37Å; L273-Q307 HydrophobicContact CG-CB 4.46Å; I303-Q307 PolarHBondContact O-N 3.45Å; Q304-Q307 PolarHBondContact O-N 2.82Å; Q307-N309 VanDerWaalsContact C-N 3.27Å; Q307-N309 PolarHBondContact O-N 3.18Å; Q307-G310 PolarHBondContact O-N 3.26Å; Q307-G310 VanDerWaalsContact O-N 3.17Å
308	N	83.9	Confident	85.6	Confident	132 Å²	132	61.3 Å²	61.3	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-65.9	-28.8	175.8	-68.7	-36.7	0	0	0	112.8	Q304 D305 L306 G310	Q304-N308 VanDerWaalsContact O-CG 3.29Å; Q304-N308 PolarHBondContact O-N 3.13Å; Q304-N308 PolarHBondContact O-ND2 2.9Å; Q304-N308 VanDerWaalsContact O-ND2 3.11Å; D305-N308 PolarHBondContact O-N 3.32Å; L306-N308 VanDerWaalsContact C-N 3.33Å; L306-N308 PolarHBondContact O-N 3.32Å; N308-G310 VanDerWaalsContact C-N 3.28Å; N308-G310 PolarHBondContact O-N 3.3Å
309	N	84.9	Confident	85.8	Confident	123 Å²	123	60.9 Å²	60.9	66%	0.658	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.1	175.7	-69.7	-30.7	0	0	0	113.9	D305 L306 Q307 F311	D305-N309 WeakPolarHBondContact O-CB 3.24Å; D305-N309 PolarHBondContact O-N 2.99Å; D305-N309 PolarHBondContact O-ND2 3.38Å; D305-N309 VanDerWaalsContact O-ND2 3.09Å; L306-N309 PolarHBondContact O-N 3.14Å; L306-N309 VanDerWaalsContact O-N 3.16Å; Q307-N309 VanDerWaalsContact C-N 3.27Å; Q307-N309 PolarHBondContact O-N 3.18Å; N309-F311 HydrophobicContact CB-CD2 4.34Å; N309-F311 HydrophobicContact CB-CE2 4.42Å
310	G	82	Confident	86.1	Confident	57 Å²	57	60.7 Å²	60.7	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	2.3	171.6	0	0	0	0	0	116.2	L306 Q307 N308	L306-G310 PolarHBondContact O-N 3.28Å; Q307-G310 PolarHBondContact O-N 3.26Å; Q307-G310 VanDerWaalsContact O-N 3.17Å; N308-G310 VanDerWaalsContact C-N 3.28Å; N308-G310 PolarHBondContact O-N 3.3Å
311	F	83.9	Confident	86.7	Confident	59 Å²	59	53.1 Å²	53.1	26%	0.259	27%	0.265	S	S	.	.			trans	-67.3	140.4	172	-67.1	-77.3	0	0	0	110.6	L273 L306 N309 D364 I368	L273-F311 HydrophobicContact CD1-CB 4.17Å; L273-F311 VanDerWaalsContact CD1-O 3.23Å; L273-F311 WeakPolarHBondContact CD1-O 3.3Å; L306-F311 HydrophobicContact CB-CD2 4.07Å; L306-F311 HydrophobicContact CD2-CD2 3.78Å; L306-F311 HydrophobicContact CD2-CE2 3.84Å; L306-F311 WeakPolarHBondContact O-CD2 3.39Å; L306-F311 PolarHBondContact O-N 3.12Å; N309-F311 HydrophobicContact CB-CD2 4.34Å; N309-F311 HydrophobicContact CB-CE2 4.42Å; F311-D364 HydrophobicContact CD1-CB 4.36Å; F311-I368 HydrophobicContact CD1-CD1 4.19Å; F311-I368 HydrophobicContact CD2-CD1 4.3Å; F311-I368 HydrophobicContact CE1-CD1 3.62Å; F311-I368 HydrophobicContact CE2-CD1 3.75Å; F311-I368 HydrophobicContact CZ-CD1 3.38Å
312	Y	80.1	Confident	86.9	Confident	157 Å²	157	46.7 Å²	46.7	62%	0.616	24%	0.238	S	C	*	.			trans	-117.6	-28.3	-179.7	61.1	-83.8	0	0	0	112.6	R272 L273 D364	R272-Y312 WeakPolarHBondContact CA-O 3.44Å; L273-Y312 PolarHBondContact N-O 2.78Å; Y312-D364 WeakPolarHBondContact CD1-OD1 3.15Å; Y312-D364 HydrophobicContact CE1-CB 4.45Å; Y312-D364 WeakPolarHBondContact CE1-OD1 3.35Å; Y312-D364 WeakPolarHBondContact CE1-OD2 3.25Å
313	K	85.1	Confident	86.8	Confident	32 Å²	32	43.8 Å²	43.8	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.8	174.7	-175.1	-161.1	-172	-165.9	0	109.3	Q270 D364 D365	Q270-K313 HydrophobicContact CG-CG 4.47Å; K313-D364 PolarHBondContact N-OD1 2.88Å; K313-D364 PolarHBondContact O-N 2.9Å; K313-D364 VanDerWaalsContact O-N 3.11Å; K313-D365 IonicContact NZ-OD1 3.33Å; K313-D365 PolarHBondContact NZ-OD1 2.7Å; K313-D365 IonicContact NZ-OD2 3.73Å; K313-D365 PolarHBondContact NZ-OD2 2.63Å
314	I	88	Confident	86.9	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.1	163.7	-69.8	-178.2	0	0	0	108.8	Q270 Q271 L273 I303 L306 L316 V361 L362	Q270-I314 CarbonylContact C-O 3.5Å; Q270-I314 WeakPolarHBondContact CA-O 3.36Å; Q271-I314 PolarHBondContact N-O 3.43Å; Q271-I314 PolarHBondContact O-N 2.93Å; L273-I314 HydrophobicContact CD1-CD1 3.76Å; L273-I314 HydrophobicContact CD1-CG1 3.93Å; L273-I314 HydrophobicContact CD2-CD1 4.16Å; L273-I314 HydrophobicContact CG-CD1 4.29Å; L273-I314 HydrophobicContact CG-CG1 4.43Å; I303-I314 HydrophobicContact CG2-CD1 4.22Å; L306-I314 HydrophobicContact CB-CD1 3.98Å; L306-I314 HydrophobicContact CD1-CD1 3.51Å; L306-I314 HydrophobicContact CG-CD1 4.39Å; I314-L316 HydrophobicContact CG2-CD2 4.04Å; I314-L316 HydrophobicContact CG2-CG 4.31Å; I314-V361 HydrophobicContact CG2-CG1 3.7Å; I314-L362 CarbonylContact C-O 3.59Å; I314-L362 VanDerWaalsContact CA-O 3.31Å; I314-L362 WeakPolarHBondContact CA-O 3.3Å
315	T	88.9	Confident	86.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120	163.6	-50.1	0	0	0	0	109.2	T251 Q270 V317 L362	T251-T315 HydrophobicContact CG2-CG2 4Å; Q270-T315 HydrophobicContact CB-CG2 4.38Å; T315-V317 HydrophobicContact CG2-CG2 4.43Å; T315-L362 PolarHBondContact N-O 3Å; T315-L362 PolarHBondContact O-N 3.28Å
316	L	90.2	Very high	86.3	Confident	5 Å²	5	40 Å²	40	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.5	170.7	-57.5	174.4	0	0	0	108.2	L268 Q269 V279 V298 I314 V361	L268-L316 CarbonylContact C-O 3.6Å; L268-L316 WeakPolarHBondContact CA-O 3.47Å; Q269-L316 HydrophobicContact CB-CB 4.46Å; Q269-L316 PolarHBondContact N-O 2.96Å; Q269-L316 PolarHBondContact O-N 3.48Å; V279-L316 HydrophobicContact CB-CD1 4.34Å; V279-L316 HydrophobicContact CG1-CD1 3.48Å; V279-L316 VanDerWaalsContact CG1-CD1 3.48Å; V279-L316 HydrophobicContact CG2-CD1 3.88Å; V298-L316 HydrophobicContact CG2-CD2 4.19Å; I314-L316 HydrophobicContact CG2-CD2 4.04Å; I314-L316 HydrophobicContact CG2-CG 4.31Å; L316-V361 HydrophobicContact CD2-CB 4.36Å; L316-V361 HydrophobicContact CD2-CG1 4Å; L316-V361 HydrophobicContact CD2-CG2 3.58Å
317	V	92.3	Very high	85.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.8	172.6	175	0	0	0	0	107.1	V243 L268 T315 M319 S359 T360 L362	V243-V317 HydrophobicContact CB-CG1 4.34Å; V243-V317 HydrophobicContact CG1-CG1 3.5Å; L268-V317 HydrophobicContact CD2-CG2 4.19Å; L268-V317 HydrophobicContact CG-CG2 4.3Å; T315-V317 HydrophobicContact CG2-CG2 4.43Å; V317-M319 HydrophobicContact CG1-CE 4.39Å; V317-S359 CarbonylContact O-C 3.49Å; V317-S359 WeakPolarHBondContact O-CA 3.13Å; V317-T360 PolarHBondContact N-O 3.47Å; V317-T360 PolarHBondContact O-N 3.02Å; V317-T360 PolarHBondContact O-OG1 3.38Å; V317-L362 HydrophobicContact CG2-CD1 4.35Å
318	N	93.4	Very high	85.2	Confident	9 Å²	9	37.7 Å²	37.7	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.4	-177.9	-56.1	-62.5	0	0	0	110.4	E267 F282 S358 S359	E267-N318 PolarHBondContact N-O 3.19Å; E267-N318 PolarHBondContact O-N 3.32Å; F282-N318 HydrophobicContact CB-CB 3.59Å; F282-N318 HydrophobicContact CD1-CB 3.55Å; F282-N318 HydrophobicContact CD2-CB 3.76Å; F282-N318 HydrophobicContact CE1-CB 4.05Å; F282-N318 HydrophobicContact CE2-CB 4.23Å; F282-N318 HydrophobicContact CG-CB 3.36Å; F282-N318 HydrophobicContact CZ-CB 4.36Å; N318-S358 WeakPolarHBondContact CA-O 3.4Å; N318-S359 VanDerWaalsContact OD1-CB 3.31Å; N318-S359 WeakPolarHBondContact OD1-CB 3.23Å; N318-S359 PolarHBondContact OD1-OG 2.95Å
319	M	93.8	Very high	84.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.6	-177.3	-62.1	176.3	-74.7	0	0	111.4	V239 D240 V243 K265 V266 V317 Y321 I357 S358	V239-M319 HydrophobicContact CG1-SD 3.8Å; D240-M319 HydrophobicContact CB-CE 3.92Å; D240-M319 VanDerWaalsContact OD1-CE 3.27Å; D240-M319 WeakPolarHBondContact OD1-CE 3.2Å; V243-M319 HydrophobicContact CB-SD 4.46Å; V243-M319 HydrophobicContact CG2-SD 4.24Å; K265-M319 CarbonylContact O-C 3.56Å; K265-M319 VanDerWaalsContact O-CA 3.24Å; K265-M319 WeakPolarHBondContact O-CA 3.39Å; V266-M319 HydrophobicContact CB-CG 4.38Å; V266-M319 HydrophobicContact CG1-CG 4.04Å; V266-M319 HydrophobicContact CG2-CG 4.13Å; V317-M319 HydrophobicContact CG1-CE 4.39Å; M319-Y321 HydrophobicContact CB-CE2 3.82Å; M319-Y321 PolarHBondContact SD-OH 3.34Å; M319-I357 CarbonylContact O-C 3.59Å; M319-I357 WeakPolarHBondContact O-CA 3.28Å; M319-I357 WeakPolarHBondContact O-CG1 3.36Å; M319-S358 PolarHBondContact N-O 3.4Å; M319-S358 PolarHBondContact O-N 3.47Å
320	W	94.3	Very high	82.5	Confident	26 Å²	26	31.4 Å²	31.4	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.5	175.4	170.9	94.7	0	0	0	109.8	I264 K265 F282 P285 D294 G322	I264-W320 WeakPolarHBondContact CA-O 3.38Å; K265-W320 HydrophobicContact CB-CB 4.41Å; K265-W320 HydrophobicContact CB-CE3 4.36Å; K265-W320 PolarHBondContact N-O 3.27Å; K265-W320 PolarHBondContact O-N 3.3Å; F282-W320 HydrophobicContact CE1-CB 3.74Å; F282-W320 HydrophobicContact CZ-CB 3.91Å; P285-W320 VanDerWaalsContact CD-CE3 3.49Å; P285-W320 VanDerWaalsContact CD-CZ3 3.49Å; P285-W320 HydrophobicContact CG-CE3 4.03Å; P285-W320 HydrophobicContact CG-CH2 3.6Å; P285-W320 HydrophobicContact CG-CZ2 4.25Å; P285-W320 HydrophobicContact CG-CZ3 3.48Å; P285-W320 VanDerWaalsContact CG-CZ3 3.48Å; D294-W320 PolarHBondContact OD2-NE1 2.98Å; W320-G322 VanDerWaalsContact CH2-CA 3.43Å
321	Y	93.2	Very high	81	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	98.2	-178.4	-56.2	-92.1	0	0	0	109.3	I214 V236 V239 N263 I264 M319 L324 A355 V356	I214-Y321 HydrophobicContact CD1-CD1 4Å; V236-Y321 HydrophobicContact CG1-CD2 4.48Å; V236-Y321 HydrophobicContact CG1-CE2 3.86Å; V236-Y321 HydrophobicContact CG2-CD1 4.26Å; V236-Y321 HydrophobicContact CG2-CE1 4.18Å; V236-Y321 HydrophobicContact CG2-CE2 4.48Å; V236-Y321 HydrophobicContact CG2-CG 4.44Å; V239-Y321 HydrophobicContact CG1-CE1 4.45Å; V239-Y321 VanDerWaalsContact CG1-OH 3.25Å; V239-Y321 WeakPolarHBondContact CG1-OH 3.45Å; N263-Y321 WeakPolarHBondContact O-CA 3.34Å; I264-Y321 HydrophobicContact CD1-CD1 4.31Å; I264-Y321 HydrophobicContact CD1-CE1 4.21Å; I264-Y321 HydrophobicContact CG1-CD1 3.99Å; I264-Y321 HydrophobicContact CG1-CE1 4.28Å; I264-Y321 HydrophobicContact CG2-CD1 4.22Å; I264-Y321 HydrophobicContact CG2-CE1 4.01Å; M319-Y321 HydrophobicContact CB-CE2 3.82Å; M319-Y321 PolarHBondContact SD-OH 3.34Å; Y321-L324 HydrophobicContact CG-CD1 4.07Å; Y321-A355 WeakPolarHBondContact O-CB 3.42Å; Y321-V356 HydrophobicContact CD2-CB 4.43Å; Y321-V356 PolarHBondContact N-O 3.25Å; Y321-V356 PolarHBondContact O-N 3.29Å; Y321-V356 VanDerWaalsContact O-N 3.12Å
322	G	88.1	Confident	79.7	Confident	11 Å²	11	38.9 Å²	38.9	11%	0.113	19%	0.19	C	C	.	.	S	Bend	trans	-69.7	-43.7	-172.5	0	0	0	0	0	114.2	N263 W320	N263-G322 PolarHBondContact O-N 3.32Å; W320-G322 VanDerWaalsContact CH2-CA 3.43Å
323	S	84.2	Confident	78.8	Confident	22 Å²	22	34.8 Å²	34.8	15%	0.154	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	16.9	-160.4	-52.8	0	0	0	0	114.6	N263 R325 P326	N263-S323 VanDerWaalsContact OD1-CB 3.24Å; N263-S323 WeakPolarHBondContact OD1-CB 3.31Å; N263-S323 PolarHBondContact OD1-OG 3.08Å; S323-R325 VanDerWaalsContact C-N 3.3Å; S323-R325 PolarHBondContact O-N 3.38Å; S323-P326 VanDerWaalsContact O-CD 3.24Å; S323-P326 WeakPolarHBondContact O-CD 3.1Å
324	L	84.8	Confident	78.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.1	174.2	-65.8	175.9	0	0	0	112.9	I214 P232 M233 V236 Y321 L327 F328 L352 V356	I214-L324 HydrophobicContact CB-CD2 4.02Å; I214-L324 HydrophobicContact CD1-CD2 4.18Å; I214-L324 HydrophobicContact CG2-CD2 3.93Å; P232-L324 HydrophobicContact CB-CD2 3.88Å; M233-L324 HydrophobicContact SD-CD1 4.44Å; V236-L324 HydrophobicContact CG2-CD1 3.69Å; Y321-L324 HydrophobicContact CG-CD1 4.07Å; L324-L327 HydrophobicContact CD2-CD1 3.91Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 3.23Å; L324-L327 VanDerWaalsContact O-N 3.11Å; L324-F328 HydrophobicContact CB-CE2 4.49Å; L324-F328 WeakPolarHBondContact O-CD2 3.46Å; L324-L352 HydrophobicContact CB-CD2 4.49Å; L324-V356 HydrophobicContact CB-CG2 4.41Å; L324-V356 HydrophobicContact CD1-CB 3.89Å; L324-V356 HydrophobicContact CD1-CG2 3.62Å
325	R	81.8	Confident	77.3	Confident	63 Å²	63	38.4 Å²	38.4	24%	0.238	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-53.6	-48.3	-174.9	-47.2	-175.3	-148.7	-154.4	-0.1	114	S323 L327 G353 S354 A355 Q377	S323-R325 VanDerWaalsContact C-N 3.3Å; S323-R325 PolarHBondContact O-N 3.38Å; R325-L327 VanDerWaalsContact C-N 3.26Å; R325-L327 PolarHBondContact O-N 3.18Å; R325-G353 PolarHBondContact NH1-O 3.37Å; R325-S354 VanDerWaalsContact CG-O 3.28Å; R325-S354 WeakPolarHBondContact CG-O 3.4Å; R325-S354 VanDerWaalsContact NE-C 3.27Å; R325-A355 VanDerWaalsContact NH2-N 3.12Å; R325-Q377 PolarHBondContact NH1-O 3.33Å; R325-Q377 PolarHBondContact NH2-O 3.33Å
326	P	74.2	Confident	76.6	Confident	45 Å²	45	40.3 Å²	40.3	29%	0.292	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-73.9	-15.3	-178	-15.5	33.4	0	0	0	113.6	E216 A219 S323	E216-P326 HydrophobicContact CB-CG 4.27Å; E216-P326 HydrophobicContact CG-CB 4.03Å; E216-P326 HydrophobicContact CG-CG 3.72Å; E216-P326 VanDerWaalsContact OE1-CG 3.25Å; E216-P326 WeakPolarHBondContact OE1-CG 3.44Å; A219-P326 HydrophobicContact CB-CB 4.36Å; A219-P326 WeakPolarHBondContact CB-O 3.19Å; S323-P326 VanDerWaalsContact O-CD 3.24Å; S323-P326 WeakPolarHBondContact O-CD 3.1Å
327	L	70.6	Confident	75.9	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-82.2	-21.7	-177.3	-43.9	-176.8	0	0	0	112.2	I214 A219 P232 L324 R325	I214-L327 HydrophobicContact CB-CD1 4.05Å; I214-L327 HydrophobicContact CG2-CD1 4.5Å; A219-L327 HydrophobicContact CB-CD2 4.09Å; P232-L327 HydrophobicContact CB-CB 4.41Å; P232-L327 HydrophobicContact CB-CD1 4.09Å; P232-L327 HydrophobicContact CG-CB 3.58Å; P232-L327 HydrophobicContact CG-CD1 4.04Å; P232-L327 HydrophobicContact CG-CG 4.49Å; L324-L327 HydrophobicContact CD2-CD1 3.91Å; L324-L327 WeakPolarHBondContact O-CB 3.36Å; L324-L327 PolarHBondContact O-N 3.23Å; L324-L327 VanDerWaalsContact O-N 3.11Å; R325-L327 VanDerWaalsContact C-N 3.26Å; R325-L327 PolarHBondContact O-N 3.18Å
328	F	71.3	Confident	75.2	Confident	39 Å²	39	50.4 Å²	50.4	17%	0.171	26%	0.264	C	S	.	.	S	Bend	trans	-82.1	123.5	167.9	-73.1	-91.4	0	0	0	109.1	M233 L324 L352 W398 W411	M233-F328 HydrophobicContact CG-CZ 3.88Å; M233-F328 HydrophobicContact SD-CZ 4.11Å; L324-F328 HydrophobicContact CB-CE2 4.49Å; L324-F328 WeakPolarHBondContact O-CD2 3.46Å; F328-L352 HydrophobicContact CD2-CB 4.48Å; F328-L352 HydrophobicContact CD2-CD2 3.41Å; F328-L352 VanDerWaalsContact CD2-CD2 3.41Å; F328-L352 HydrophobicContact CE2-CD2 3.61Å; F328-L352 HydrophobicContact CG-CD2 4.25Å; F328-W398 HydrophobicContact CE1-CH2 4.4Å; F328-W398 AromaticContact CE1-CZ3 3.89Å; F328-W398 HydrophobicContact CE1-CZ3 3.89Å; F328-W398 HydrophobicContact CZ-CZ3 4.27Å; F328-W411 HydrophobicContact CE1-CZ2 4.36Å; F328-W411 AromaticContact CE1-NE1 3.72Å; F328-W411 HydrophobicContact CE2-CZ2 4.3Å; F328-W411 AromaticContact CZ-CZ2 3.87Å; F328-W411 HydrophobicContact CZ-CZ2 3.87Å
329	N	61.1	Low	74.3	Confident	39 Å²	39	54 Å²	54	21%	0.209	29%	0.286	C	S	.	.			trans	-63.3	122.5	-173.2	-175.1	-0.4	0	0	0	111.6	Q223 E331 E332	Q223-N329 PolarHBondContact OE1-ND2 3.03Å; N329-E331 PolarHBondContact O-N 2.94Å; N329-E331 PolarHBondContact OD1-N 3.3Å; N329-E331 VanDerWaalsContact OD1-N 3.14Å; N329-E332 HydrophobicContact CB-CB 4.13Å; N329-E332 HydrophobicContact CB-CG 4.49Å; N329-E332 WeakPolarHBondContact ND2-CG 3.23Å; N329-E332 PolarHBondContact ND2-OE2 3.23Å; N329-E332 PolarHBondContact O-N 3.46Å
330	P	52.3	Low	73.1	Confident	84 Å²	84	56.1 Å²	56.1	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.3	179.4	27.6	-35.8	0	0	0	114.1
331	E	49.3	Very low	71.8	Confident	164 Å²	164	60.1 Å²	60.1	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-25	177.1	-59.4	-168.8	162	0	0	113.4	N329 N333	N329-E331 PolarHBondContact O-N 2.94Å; N329-E331 PolarHBondContact OD1-N 3.3Å; N329-E331 VanDerWaalsContact OD1-N 3.14Å; E331-N333 PolarHBondContact O-N 2.84Å; E331-N333 VanDerWaalsContact O-N 3.15Å
332	E	57	Low	70.1	Confident	108 Å²	108	66.3 Å²	66.3	51%	0.505	36%	0.358	S	S	.	.	S	Bend	trans	-89.2	77.5	176.3	-73.4	169.6	142.6	0	0	110.3	K226 N329 I334	K226-E332 IonicContact NZ-OE1 3.75Å; K226-E332 PolarHBondContact NZ-OE1 2.81Å; K226-E332 IonicContact NZ-OE2 3.66Å; K226-E332 PolarHBondContact NZ-OE2 2.7Å; N329-E332 HydrophobicContact CB-CB 4.13Å; N329-E332 HydrophobicContact CB-CG 4.49Å; N329-E332 WeakPolarHBondContact ND2-CG 3.23Å; N329-E332 PolarHBondContact ND2-OE2 3.23Å; N329-E332 PolarHBondContact O-N 3.46Å; E332-I334 PolarHBondContact O-N 3.18Å
333	N	60.6	Low	68.6	Low	72 Å²	72	68.4 Å²	68.4	39%	0.385	38%	0.379	S	S	.	.			trans	-49.8	122.9	177.5	-68.1	-64.4	0	0	0	112.3	E331 T335 G349	E331-N333 PolarHBondContact O-N 2.84Å; E331-N333 VanDerWaalsContact O-N 3.15Å; N333-T335 PolarHBondContact O-N 3.06Å; N333-T335 VanDerWaalsContact O-N 3.16Å; N333-G349 WeakPolarHBondContact OD1-CA 3.39Å
334	I	73.1	Confident	67.3	Low	13 Å²	13	71.6 Å²	71.6	7%	0.067	40%	0.398	C	S	.	.			trans	-59.5	120.6	175.2	-60.6	160.8	0	0	0	108.1	E332 M336 Y347 T350 W410 W411 L439	E332-I334 PolarHBondContact O-N 3.18Å; I334-M336 PolarHBondContact O-N 3.01Å; I334-Y347 PolarHBondContact O-OH 3.27Å; I334-T350 HydrophobicContact CB-CG2 4.24Å; I334-T350 WeakPolarHBondContact CB-O 3.14Å; I334-T350 PolarHBondContact N-O 3.35Å; I334-T350 WeakPolarHBondContact O-CB 3.4Å; I334-W410 HydrophobicContact CG2-CZ2 4.48Å; I334-W411 HydrophobicContact CD1-CG 4.49Å; I334-W411 HydrophobicContact CG2-CB 4.14Å; I334-W411 HydrophobicContact CG2-CG 4.33Å; I334-L439 HydrophobicContact CD1-CD1 4.4Å; I334-L439 HydrophobicContact CD1-CD2 3.88Å
335	T	68.7	Low	66.5	Low	101 Å²	101	73.7 Å²	73.7	62%	0.62	41%	0.408	S	S	*	.			trans	-73.8	114.1	176.4	52.5	0	0	0	0	109.3	N333 W410	N333-T335 PolarHBondContact O-N 3.06Å; N333-T335 VanDerWaalsContact O-N 3.16Å; T335-W410 PolarHBondContact O-NE1 3.31Å; T335-W410 VanDerWaalsContact O-NE1 3.14Å; T335-W410 WeakPolarHBondContact OG1-CZ2 3.43Å
336	M	73.8	Confident	66	Low	41 Å²	41	77.8 Å²	77.8	20%	0.202	42%	0.423	C	S	.	.			trans	-151.5	154.4	-178.4	-139.3	-157.8	82.5	0	0	108	I334 V394 T413 L439	I334-M336 PolarHBondContact O-N 3.01Å; M336-V394 HydrophobicContact CE-CG1 3.87Å; M336-V394 HydrophobicContact CE-CG2 4.31Å; M336-V394 HydrophobicContact SD-CG1 4.07Å; M336-T413 HydrophobicContact CE-CG2 4.06Å; M336-T413 HydrophobicContact SD-CG2 3.8Å; M336-L439 HydrophobicContact SD-CD1 4.28Å
337	E	76.3	Confident	66.2	Low	170 Å²	170	78.7 Å²	78.7	79%	0.794	42%	0.421	S	S	*	.			trans	-69.4	136.3	176.2	-64.4	-170.5	147.7	0	0	110.7	T339 Q441	E337-T339 PolarHBondContact O-N 3.29Å; E337-Q441 PolarHBondContact O-NE2 3.31Å
338	P	78.3	Confident	66.5	Low	47 Å²	47	82 Å²	82	31%	0.305	44%	0.438	S	S	.	.			trans	-71.6	126.3	178.7	28.1	-33.4	0	0	0	110.8	I340 T341 Y347 Y443	P338-I340 PolarHBondContact O-N 3.36Å; P338-T341 HydrophobicContact CG-CG2 4.03Å; P338-Y347 HydrophobicContact CB-CD2 3.89Å; P338-Y347 HydrophobicContact CB-CE2 4.41Å; P338-Y347 HydrophobicContact CB-CG 3.96Å; P338-Y443 WeakPolarHBondContact CA-OH 3.27Å; P338-Y443 HydrophobicContact CB-CE1 4.33Å; P338-Y443 WeakPolarHBondContact CB-OH 3.35Å
339	T	74.9	Confident	66.9	Low	83 Å²	83	80.1 Å²	80.1	51%	0.509	43%	0.43	S	S	.	.	S	Bend	trans	-61	-34.5	177.7	-53.5	0	0	0	0	112	E337 Q441 Y443	E337-T339 PolarHBondContact O-N 3.29Å; T339-Q441 VanDerWaalsContact CB-OE1 3.28Å; T339-Q441 PolarHBondContact OG1-OE1 3.37Å; T339-Y443 PolarHBondContact N-OH 3.11Å
340	I	68.5	Low	68.1	Low	46 Å²	46	78.3 Å²	78.3	24%	0.236	42%	0.42	C	S	.	.			trans	-104.7	118.4	176.8	-53.6	173.9	0	0	0	109.2	P338 Y443	P338-I340 PolarHBondContact O-N 3.36Å; I340-Y443 HydrophobicContact CB-CE1 3.97Å; I340-Y443 HydrophobicContact CD1-CD2 4.46Å; I340-Y443 HydrophobicContact CD1-CE2 4.18Å; I340-Y443 HydrophobicContact CG1-CE2 4.38Å; I340-Y443 PolarHBondContact N-OH 3.16Å
341	T	65.1	Low	69.7	Low	110 Å²	110	75.8 Å²	75.8	68%	0.675	40%	0.403	S	S	*	.			trans	-119.4	4	-178.3	45.4	0	0	0	0	114.3	P338 G343	P338-T341 HydrophobicContact CG-CG2 4.03Å; T341-G343 PolarHBondContact O-N 3.33Å
342	D	58	Low	71.6	Confident	131 Å²	131	68.6 Å²	68.6	70%	0.701	37%	0.37	S	S	*	.	S	Bend	trans	-64.1	2	-173.9	-67	-19.1	0	0	0	115.8	T344	D342-T344 HydrophobicContact CB-CG2 4.46Å; D342-T344 PolarHBondContact O-N 3.28Å
343	G	57.3	Low	73	Confident	55 Å²	55	63.8 Å²	63.8	57%	0.567	35%	0.35	S	S	*	.	S	Bend	trans	71.6	-8.6	-180	0	0	0	0	0	115.5	T341 Q345 Q446	T341-G343 PolarHBondContact O-N 3.33Å; G343-Q345 VanDerWaalsContact C-N 3.29Å; G343-Q345 PolarHBondContact O-N 3.03Å; G343-Q446 PolarHBondContact O-NE2 3.06Å
344	T	56.2	Low	74.4	Confident	89 Å²	89	60.3 Å²	60.3	55%	0.546	33%	0.331	S	S	.	.	S	Bend	trans	-73.7	-15.4	178.9	51.9	0	0	0	0	114.2	D342	D342-T344 HydrophobicContact CB-CG2 4.46Å; D342-T344 PolarHBondContact O-N 3.28Å
345	Q	67.6	Low	75.3	Confident	44 Å²	44	59.7 Å²	59.7	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.4	-179.1	-68.3	179.1	-46.1	0	0	109.3	G343 Y443 E444	G343-Q345 VanDerWaalsContact C-N 3.29Å; G343-Q345 PolarHBondContact O-N 3.03Å; Q345-Y443 HydrophobicContact CB-CD1 3.95Å; Q345-Y443 HydrophobicContact CB-CG 4.42Å; Q345-E444 WeakPolarHBondContact CA-O 3.48Å
346	R	71.1	Confident	76.5	Confident	148 Å²	148	54.9 Å²	54.9	56%	0.558	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.9	175.7	171	178.5	171.5	89.9	5	108.5	L348 Y443 E444 Q446	R346-L348 HydrophobicContact CG-CD2 4.3Å; R346-L348 PolarHBondContact O-N 3.48Å; R346-Y443 WeakPolarHBondContact O-CA 3.47Å; R346-E444 HydrophobicContact CB-CB 4.24Å; R346-E444 WeakPolarHBondContact CD-OE2 3.49Å; R346-E444 PolarHBondContact N-O 3.17Å; R346-E444 IonicContact NE-OE2 3.36Å; R346-E444 PolarHBondContact O-N 3.01Å; R346-Q446 HydrophobicContact CB-CG 4.13Å
347	Y	80.4	Confident	77.4	Confident	65 Å²	65	53 Å²	53	26%	0.255	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	121.1	169.6	176.2	-104.8	0	0	0	109.2	I334 P338 G349 T350 Q441 Y443	I334-Y347 PolarHBondContact O-OH 3.27Å; P338-Y347 HydrophobicContact CB-CD2 3.89Å; P338-Y347 HydrophobicContact CB-CE2 4.41Å; P338-Y347 HydrophobicContact CB-CG 3.96Å; Y347-G349 VanDerWaalsContact CE2-C 3.46Å; Y347-G349 WeakPolarHBondContact CE2-O 3.48Å; Y347-G349 VanDerWaalsContact CZ-C 3.42Å; Y347-G349 VanDerWaalsContact CZ-CA 3.44Å; Y347-G349 VanDerWaalsContact OH-C 3.31Å; Y347-T350 PolarHBondContact OH-N 3Å; Y347-T350 PolarHBondContact OH-OG1 2.87Å; Y347-Q441 HydrophobicContact CE2-CB 4.18Å; Y347-Q441 HydrophobicContact CE2-CG 4.43Å; Y347-Y443 HydrophobicContact CD2-CE1 4.06Å
348	L	75.4	Confident	78.3	Confident	72 Å²	72	45 Å²	45	38%	0.377	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-37	174.4	-64.1	-178.2	0	0	0	111.1	R346 V442 E444	R346-L348 HydrophobicContact CG-CD2 4.3Å; R346-L348 PolarHBondContact O-N 3.48Å; L348-V442 HydrophobicContact CB-CB 4.34Å; L348-V442 HydrophobicContact CB-CG1 4.4Å; L348-V442 HydrophobicContact CD1-CG1 4.14Å; L348-V442 PolarHBondContact N-O 3.24Å; L348-E444 HydrophobicContact CD1-CB 4.01Å; L348-E444 HydrophobicContact CD2-CB 4.12Å; L348-E444 HydrophobicContact CG-CB 3.99Å
349	G	81.1	Confident	79	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-171.7	-179.7	0	0	0	0	0	113.8	N333 Y347 V442	N333-G349 WeakPolarHBondContact OD1-CA 3.39Å; Y347-G349 VanDerWaalsContact CE2-C 3.46Å; Y347-G349 WeakPolarHBondContact CE2-O 3.48Å; Y347-G349 VanDerWaalsContact CZ-C 3.42Å; Y347-G349 VanDerWaalsContact CZ-CA 3.44Å; Y347-G349 VanDerWaalsContact OH-C 3.31Å; G349-V442 PolarHBondContact O-N 3.05Å
350	T	85.6	Confident	79.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.4	176.2	-62.5	0	0	0	0	109.6	I334 Y347 L439 L440 Q441	I334-T350 HydrophobicContact CB-CG2 4.24Å; I334-T350 WeakPolarHBondContact CB-O 3.14Å; I334-T350 PolarHBondContact N-O 3.35Å; I334-T350 WeakPolarHBondContact O-CB 3.4Å; Y347-T350 PolarHBondContact OH-N 3Å; Y347-T350 PolarHBondContact OH-OG1 2.87Å; T350-L439 HydrophobicContact CG2-CB 3.61Å; T350-L439 HydrophobicContact CG2-CD1 3.87Å; T350-L439 HydrophobicContact CG2-CG 4.29Å; T350-L440 WeakPolarHBondContact CA-O 3.45Å; T350-Q441 HydrophobicContact CG2-CG 4.3Å; T350-Q441 WeakPolarHBondContact OG1-CG 3.43Å; T350-Q441 PolarHBondContact OG1-NE2 3.5Å
351	V	85.9	Confident	80.9	Confident	31 Å²	31	37.5 Å²	37.5	19%	0.188	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.4	-179.3	-61.7	0	0	0	0	111.6	G353 L439 L440 V442	V351-G353 PolarHBondContact O-N 3.11Å; V351-L439 CarbonylContact O-C 3.59Å; V351-L439 WeakPolarHBondContact O-CA 3.5Å; V351-L440 HydrophobicContact CG2-CB 4.16Å; V351-L440 PolarHBondContact N-O 2.98Å; V351-L440 PolarHBondContact O-N 3.32Å; V351-V442 HydrophobicContact CG2-CG2 4.2Å
352	L	88.1	Confident	82	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.068	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.7	176.8	178.3	57	0	0	0	111.1	L324 F328 S354 V356 W411 A437 L439	L324-L352 HydrophobicContact CB-CD2 4.49Å; F328-L352 HydrophobicContact CD2-CB 4.48Å; F328-L352 HydrophobicContact CD2-CD2 3.41Å; F328-L352 VanDerWaalsContact CD2-CD2 3.41Å; F328-L352 HydrophobicContact CE2-CD2 3.61Å; F328-L352 HydrophobicContact CG-CD2 4.25Å; L352-S354 WeakPolarHBondContact CD1-O 3.42Å; L352-V356 HydrophobicContact CD2-CG2 4.42Å; L352-W411 HydrophobicContact CD1-CH2 4.37Å; L352-W411 HydrophobicContact CD1-CZ2 4.13Å; L352-W411 HydrophobicContact CD2-CZ2 4.35Å; L352-A437 HydrophobicContact CD1-CB 3.54Å; L352-L439 HydrophobicContact CB-CD2 4.36Å; L352-L439 HydrophobicContact CD1-CD2 3.89Å
353	G	86.5	Confident	83.4	Confident	7 Å²	7	26.5 Å²	26.5	7%	0.072	15%	0.145	C	C	.	.			trans	-87.9	-31.1	-174.6	0	0	0	0	0	115.2	R325 V351 H378 V438	R325-G353 PolarHBondContact NH1-O 3.37Å; V351-G353 PolarHBondContact O-N 3.11Å; G353-H378 WeakPolarHBondContact O-CA 3.48Å; G353-H378 WeakPolarHBondContact O-CB 3.47Å; G353-V438 VanDerWaalsContact CA-O 3.3Å; G353-V438 WeakPolarHBondContact CA-O 3.38Å; G353-V438 PolarHBondContact N-O 3.41Å
354	S	90.2	Very high	84.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-116.9	172.3	-173.8	71.2	0	0	0	0	114.3	R325 L352 L376 V438	R325-S354 VanDerWaalsContact CG-O 3.28Å; R325-S354 WeakPolarHBondContact CG-O 3.4Å; R325-S354 VanDerWaalsContact NE-C 3.27Å; L352-S354 WeakPolarHBondContact CD1-O 3.42Å; S354-L376 WeakPolarHBondContact OG-CD1 3.4Å; S354-V438 PolarHBondContact N-O 2.96Å; S354-V438 VanDerWaalsContact N-O 3.13Å; S354-V438 PolarHBondContact OG-N 3.24Å
355	A	91.6	Very high	85.8	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.			trans	-59.2	161.4	158	0	0	0	0	0	110.1	D294 Y321 R325	D294-A355 VanDerWaalsContact OD2-CB 3.31Å; D294-A355 WeakPolarHBondContact OD2-CB 3.27Å; Y321-A355 WeakPolarHBondContact O-CB 3.42Å; R325-A355 VanDerWaalsContact NH2-N 3.12Å
356	V	93.7	Very high	86.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.4	169.5	-175.6	0	0	0	0	108.4	Y321 L324 L352 W411 N435 F436 A437	Y321-V356 HydrophobicContact CD2-CB 4.43Å; Y321-V356 PolarHBondContact N-O 3.25Å; Y321-V356 PolarHBondContact O-N 3.29Å; Y321-V356 VanDerWaalsContact O-N 3.12Å; L324-V356 HydrophobicContact CB-CG2 4.41Å; L324-V356 HydrophobicContact CD1-CB 3.89Å; L324-V356 HydrophobicContact CD1-CG2 3.62Å; L352-V356 HydrophobicContact CD2-CG2 4.42Å; V356-W411 HydrophobicContact CG2-CH2 4.1Å; V356-N435 HydrophobicContact CG1-CB 4.18Å; V356-F436 CarbonylContact C-O 3.59Å; V356-F436 WeakPolarHBondContact CA-O 3.5Å; V356-A437 HydrophobicContact CG2-CB 4.44Å
357	I	94.3	Very high	87.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131	177.8	-159.4	165.3	0	0	0	109.3	F282 I296 M319 F374 L376 F436	F282-I357 HydrophobicContact CD1-CD1 4.15Å; F282-I357 HydrophobicContact CD1-CG1 4.33Å; F282-I357 HydrophobicContact CE1-CD1 4.29Å; F282-I357 HydrophobicContact CE1-CG1 4.2Å; I296-I357 HydrophobicContact CB-CD1 3.84Å; I296-I357 HydrophobicContact CB-CG1 4.2Å; I296-I357 HydrophobicContact CD1-CG2 4.23Å; I296-I357 HydrophobicContact CG2-CD1 3.82Å; I296-I357 HydrophobicContact CG2-CG1 3.97Å; M319-I357 CarbonylContact O-C 3.59Å; M319-I357 WeakPolarHBondContact O-CA 3.28Å; M319-I357 WeakPolarHBondContact O-CG1 3.36Å; I357-F374 HydrophobicContact CG2-CB 4.36Å; I357-F374 HydrophobicContact CG2-CG 4.48Å; I357-L376 HydrophobicContact CB-CD2 4.11Å; I357-L376 HydrophobicContact CD1-CD2 4.42Å; I357-L376 HydrophobicContact CG2-CD1 3.91Å; I357-L376 HydrophobicContact CG2-CD2 3.92Å; I357-L376 HydrophobicContact CG2-CG 4.23Å; I357-F436 HydrophobicContact CG2-CB 4.22Å; I357-F436 PolarHBondContact N-O 3.3Å; I357-F436 PolarHBondContact O-N 3.18Å
358	S	94.1	Very high	87.7	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.028	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.1	177.9	-170	0	0	0	0	110.7	N318 M319 T434	N318-S358 WeakPolarHBondContact CA-O 3.4Å; M319-S358 PolarHBondContact N-O 3.4Å; M319-S358 PolarHBondContact O-N 3.47Å; S358-T434 WeakPolarHBondContact CA-O 3.11Å; S358-T434 PolarHBondContact OG-O 2.7Å
359	S	93.1	Very high	88.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	117.9	170.3	-173.2	0	0	0	0	107.4	V317 N318 T433 T434	V317-S359 CarbonylContact O-C 3.49Å; V317-S359 WeakPolarHBondContact O-CA 3.13Å; N318-S359 VanDerWaalsContact OD1-CB 3.31Å; N318-S359 WeakPolarHBondContact OD1-CB 3.23Å; N318-S359 PolarHBondContact OD1-OG 2.95Å; S359-T433 CarbonylContact O-C 3.56Å; S359-T433 WeakPolarHBondContact O-CA 3.46Å; S359-T433 WeakPolarHBondContact O-CB 3.4Å; S359-T434 PolarHBondContact N-O 3.16Å; S359-T434 VanDerWaalsContact N-O 3.15Å
360	T	92.3	Very high	88.8	Confident	17 Å²	17	27 Å²	27	10%	0.104	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.1	173.5	39.9	0	0	0	0	108.8	V317	V317-T360 PolarHBondContact N-O 3.47Å; V317-T360 PolarHBondContact O-N 3.02Å; V317-T360 PolarHBondContact O-OG1 3.38Å
361	V	91.1	Very high	89.1	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	-175.2	-178.8	0	0	0	0	109.3	V298 I314 L316 P367 I368 M370 T433	V298-V361 HydrophobicContact CG2-CG2 4.06Å; I314-V361 HydrophobicContact CG2-CG1 3.7Å; L316-V361 HydrophobicContact CD2-CB 4.36Å; L316-V361 HydrophobicContact CD2-CG1 4Å; L316-V361 HydrophobicContact CD2-CG2 3.58Å; V361-P367 CarbonylContact O-C 3.52Å; V361-P367 WeakPolarHBondContact O-CA 3.35Å; V361-I368 PolarHBondContact O-N 3.17Å; V361-M370 HydrophobicContact CB-SD 3.8Å; V361-M370 HydrophobicContact CG1-SD 3.69Å; V361-M370 HydrophobicContact CG2-CG 4.26Å; V361-M370 HydrophobicContact CG2-SD 3.67Å; V361-T433 HydrophobicContact CB-CG2 4.48Å; V361-T433 HydrophobicContact CG2-CG2 3.89Å
362	L	89.6	Confident	89.5	Confident	8 Å²	8	25.8 Å²	25.8	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.2	177.1	-53.4	178	0	0	0	108.7	S247 I314 T315 V317 Q366 P367	S247-L362 WeakPolarHBondContact OG-CD1 3.15Å; I314-L362 CarbonylContact C-O 3.59Å; I314-L362 VanDerWaalsContact CA-O 3.31Å; I314-L362 WeakPolarHBondContact CA-O 3.3Å; T315-L362 PolarHBondContact N-O 3Å; T315-L362 PolarHBondContact O-N 3.28Å; V317-L362 HydrophobicContact CG2-CD1 4.35Å; L362-Q366 CarbonylContact C-O 3.51Å; L362-Q366 VanDerWaalsContact CA-O 3.27Å; L362-Q366 WeakPolarHBondContact CA-O 3.12Å; L362-P367 HydrophobicContact CD2-CB 4.1Å
363	G	87.3	Confident	89.8	Confident	2 Å²	2	28.4 Å²	28.4	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.2	167.2	0	0	0	0	0	109.1	D365 Q366	G363-D365 PolarHBondContact O-N 3.5Å; G363-D365 VanDerWaalsContact O-N 3.17Å; G363-Q366 PolarHBondContact N-O 3.09Å; G363-Q366 PolarHBondContact O-N 2.8Å
364	D	82.4	Confident	90.1	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	44.7	-173.7	-57.1	-15	0	0	0	112.8	F311 Y312 K313 Q366	F311-D364 HydrophobicContact CD1-CB 4.36Å; Y312-D364 WeakPolarHBondContact CD1-OD1 3.15Å; Y312-D364 HydrophobicContact CE1-CB 4.45Å; Y312-D364 WeakPolarHBondContact CE1-OD1 3.35Å; Y312-D364 WeakPolarHBondContact CE1-OD2 3.25Å; K313-D364 PolarHBondContact N-OD1 2.88Å; K313-D364 PolarHBondContact O-N 2.9Å; K313-D364 VanDerWaalsContact O-N 3.11Å; D364-Q366 VanDerWaalsContact C-N 3.3Å; D364-Q366 PolarHBondContact O-N 3.37Å
365	D	80.2	Confident	90.2	Very high	58 Å²	58	30.7 Å²	30.7	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	25.3	-179.7	-57.6	-44.9	0	0	0	115.8	P248 K313 G363	P248-D365 HydrophobicContact CG-CB 4.3Å; K313-D365 IonicContact NZ-OD1 3.33Å; K313-D365 PolarHBondContact NZ-OD1 2.7Å; K313-D365 IonicContact NZ-OD2 3.73Å; K313-D365 PolarHBondContact NZ-OD2 2.63Å; G363-D365 PolarHBondContact O-N 3.5Å; G363-D365 VanDerWaalsContact O-N 3.17Å
366	Q	83.4	Confident	90.3	Very high	135 Å²	135	30.7 Å²	30.7	63%	0.631	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.5	168.7	-67.6	-64.9	-81.6	0	0	112.1	L362 G363 D364	L362-Q366 CarbonylContact C-O 3.51Å; L362-Q366 VanDerWaalsContact CA-O 3.27Å; L362-Q366 WeakPolarHBondContact CA-O 3.12Å; G363-Q366 PolarHBondContact N-O 3.09Å; G363-Q366 PolarHBondContact O-N 2.8Å; D364-Q366 VanDerWaalsContact C-N 3.3Å; D364-Q366 PolarHBondContact O-N 3.37Å
367	P	86.5	Confident	90	Very high	101 Å²	101	34 Å²	34	66%	0.656	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.7	-178.1	28.6	-34.5	0	0	0	112.6	V361 L362	V361-P367 CarbonylContact O-C 3.52Å; V361-P367 WeakPolarHBondContact O-CA 3.35Å; L362-P367 HydrophobicContact CD2-CB 4.1Å
368	I	89.3	Confident	89.5	Confident	34 Å²	34	34.5 Å²	34.5	17%	0.174	19%	0.187	C	C	.	.			trans	-120.6	119.7	-179.3	-57.9	-179.7	0	0	0	109.7	L306 F311 V361 M370 T433	L306-I368 HydrophobicContact CD2-CD1 4.07Å; L306-I368 HydrophobicContact CD2-CG2 4.08Å; F311-I368 HydrophobicContact CD1-CD1 4.19Å; F311-I368 HydrophobicContact CD2-CD1 4.3Å; F311-I368 HydrophobicContact CE1-CD1 3.62Å; F311-I368 HydrophobicContact CE2-CD1 3.75Å; F311-I368 HydrophobicContact CZ-CD1 3.38Å; V361-I368 PolarHBondContact O-N 3.17Å; I368-M370 PolarHBondContact O-N 3.32Å; I368-T433 PolarHBondContact O-OG1 3.23Å
369	S	89.9	Confident	88.3	Confident	86 Å²	86	41.4 Å²	41.4	60%	0.601	22%	0.217	S	C	*	.			trans	-71.4	121.3	172.1	-169.2	0	0	0	0	111.1	H432 T433	S369-H432 WeakPolarHBondContact OG-CA 3.39Å; S369-H432 WeakPolarHBondContact OG-CB 3.5Å; S369-T433 WeakPolarHBondContact CA-OG1 3.36Å
370	M	89.7	Confident	86.6	Confident	15 Å²	15	43.4 Å²	43.4	7%	0.074	23%	0.233	C	C	.	.			trans	-144.7	165.2	177.8	68.6	-170.1	-51.2	0	0	111.9	V298 K302 I303 L306 V361 I368 N431 H432 T433	V298-M370 HydrophobicContact CG1-CE 3.37Å; V298-M370 HydrophobicContact CG1-CG 4.27Å; V298-M370 HydrophobicContact CG1-SD 3.69Å; K302-M370 HydrophobicContact CB-CE 3.48Å; K302-M370 VanDerWaalsContact CB-CE 3.48Å; K302-M370 WeakPolarHBondContact O-CE 3.49Å; I303-M370 HydrophobicContact CG1-CE 4.41Å; L306-M370 HydrophobicContact CD1-CE 3.55Å; L306-M370 HydrophobicContact CD1-SD 3.85Å; L306-M370 HydrophobicContact CG-CE 4.29Å; V361-M370 HydrophobicContact CB-SD 3.8Å; V361-M370 HydrophobicContact CG1-SD 3.69Å; V361-M370 HydrophobicContact CG2-CG 4.26Å; V361-M370 HydrophobicContact CG2-SD 3.67Å; I368-M370 PolarHBondContact O-N 3.32Å; M370-N431 CarbonylContact C-O 3.53Å; M370-H432 CarbonylContact O-C 3.58Å; M370-H432 WeakPolarHBondContact O-CA 3.44Å; M370-H432 PolarHBondContact O-N 3.12Å; M370-T433 HydrophobicContact CG-CG2 3.67Å; M370-T433 PolarHBondContact O-N 2.86Å
371	A	92.9	Very high	84.4	Confident	6 Å²	6	50.6 Å²	50.6	5%	0.05	27%	0.266	C	S	.	.			trans	-74.5	147.4	-177	0	0	0	0	0	113.2	P299 K302 Y429 C430	P299-A371 WeakPolarHBondContact CD-O 3.24Å; K302-A371 HydrophobicContact CG-CB 4.44Å; A371-Y429 HydrophobicContact CB-CE2 3.69Å; A371-C430 CarbonylContact C-O 3.59Å; A371-C430 WeakPolarHBondContact CA-O 3.49Å; A371-C430 WeakPolarHBondContact CB-O 3.45Å
372	V	93.9	Very high	82.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.4	-179.8	-61.4	0	0	0	0	111.5	I296 V298 F374 Y429 C430 T433 F436	I296-V372 HydrophobicContact CD1-CB 4.29Å; I296-V372 HydrophobicContact CD1-CG2 4.26Å; I296-V372 HydrophobicContact CG1-CB 4.3Å; V298-V372 HydrophobicContact CG2-CG1 4.33Å; V372-F374 HydrophobicContact CG2-CD1 4.42Å; V372-Y429 WeakPolarHBondContact O-CA 3.34Å; V372-C430 HydrophobicContact CG2-CB 4.07Å; V372-C430 PolarHBondContact N-O 2.9Å; V372-C430 PolarHBondContact O-N 2.99Å; V372-T433 HydrophobicContact CG1-CG2 3.91Å; V372-F436 HydrophobicContact CG2-CD2 4.46Å; V372-F436 HydrophobicContact CG2-CE2 3.77Å; V372-F436 HydrophobicContact CG2-CZ 3.82Å
373	H	93.8	Very high	79.7	Confident	69 Å²	69	59.4 Å²	59.4	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	162.1	-76.6	-105	0	0	0	109.5	I296 S297 C428 Y429	I296-H373 CarbonylContact C-O 3.52Å; S297-H373 PolarHBondContact N-O 3.41Å; S297-H373 PolarHBondContact O-N 2.84Å; S297-H373 PolarHBondContact OG-O 3.16Å; H373-C428 WeakPolarHBondContact CA-O 3.36Å; H373-Y429 AromaticContact CD2-CD2 3.74Å; H373-Y429 AromaticContact CE1-CD2 3.79Å; H373-Y429 AromaticContact NE2-CD2 3.38Å; H373-Y429 WeakPolarHBondContact NE2-CD2 3.43Å
374	F	93.5	Very high	77.3	Confident	4 Å²	4	68.2 Å²	68.2	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.4	172.5	60.6	-96	0	0	0	112.5	C295 I296 I357 V372 L376 V427 C428 F436 V438	C295-F374 CarbonylContact O-C 3.57Å; C295-F374 WeakPolarHBondContact O-CA 3.47Å; C295-F374 WeakPolarHBondContact O-CB 3.47Å; I296-F374 HydrophobicContact CB-CB 4.03Å; I296-F374 HydrophobicContact CD1-CB 4.15Å; I296-F374 HydrophobicContact CD1-CD1 4.35Å; I296-F374 HydrophobicContact CG1-CB 3.96Å; I357-F374 HydrophobicContact CG2-CB 4.36Å; I357-F374 HydrophobicContact CG2-CG 4.48Å; V372-F374 HydrophobicContact CG2-CD1 4.42Å; F374-L376 HydrophobicContact CD2-CD1 3.63Å; F374-L376 HydrophobicContact CD2-CG 3.81Å; F374-L376 HydrophobicContact CE2-CD1 3.71Å; F374-L376 HydrophobicContact CE2-CG 4.32Å; F374-V427 WeakPolarHBondContact O-CA 3.11Å; F374-C428 HydrophobicContact CD1-CB 4.17Å; F374-C428 HydrophobicContact CD2-CB 3.78Å; F374-C428 HydrophobicContact CE1-CB 3.74Å; F374-C428 HydrophobicContact CE2-CB 3.34Å; F374-C428 WeakPolarHBondContact CE2-SG 3.37Å; F374-C428 HydrophobicContact CG-CB 4.19Å; F374-C428 HydrophobicContact CZ-CB 3.3Å; F374-C428 PolarHBondContact N-O 2.98Å; F374-C428 VanDerWaalsContact N-O 3.12Å; F374-C428 PolarHBondContact O-N 3.23Å; F374-F436 HydrophobicContact CD1-CB 4Å; F374-F436 HydrophobicContact CD1-CD1 4.45Å; F374-F436 HydrophobicContact CD1-CD2 4.25Å; F374-F436 AromaticContact CD1-CG 3.98Å; F374-F436 HydrophobicContact CD1-CG 3.98Å; F374-F436 HydrophobicContact CE1-CB 3.47Å; F374-F436 VanDerWaalsContact CE1-CB 3.47Å; F374-F436 AromaticContact CE1-CD1 3.6Å; F374-F436 HydrophobicContact CE1-CD1 3.6Å; F374-F436 HydrophobicContact CE1-CD2 4.16Å; F374-F436 HydrophobicContact CE1-CE1 4.39Å; F374-F436 AromaticContact CE1-CG 3.46Å; F374-F436 HydrophobicContact CE1-CG 3.46Å; F374-F436 VanDerWaalsContact CE1-CG 3.46Å; F374-F436 HydrophobicContact CE2-CB 4.18Å; F374-F436 HydrophobicContact CZ-CB 3.57Å; F374-F436 HydrophobicContact CZ-CD1 4.15Å; F374-F436 HydrophobicContact CZ-CG 4.04Å; F374-V438 HydrophobicContact CE2-CG2 4.29Å
375	Q	92.8	Very high	75.2	Confident	50 Å²	50	73.1 Å²	73.1	23%	0.234	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.5	170.8	177.9	-177.4	-91	0	0	107.4	I293 D294 C295 Y425 T426 V427	I293-Q375 PolarHBondContact O-NE2 3.23Å; D294-Q375 CarbonylContact C-O 3.43Å; D294-Q375 WeakPolarHBondContact CA-O 3.39Å; C295-Q375 PolarHBondContact N-O 3.47Å; C295-Q375 PolarHBondContact O-N 3.28Å; Q375-Y425 HydrophobicContact CG-CD2 3.79Å; Q375-Y425 HydrophobicContact CG-CG 4.39Å; Q375-T426 WeakPolarHBondContact CA-O 3.49Å; Q375-V427 HydrophobicContact CB-CG2 4.28Å; Q375-V427 HydrophobicContact CG-CG2 4.18Å
376	L	92.2	Very high	73.3	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136	179.6	-73.1	174.3	0	0	0	111.9	D294 S354 I357 F374 Y425 T426 V438	D294-L376 HydrophobicContact CB-CD2 3.75Å; D294-L376 WeakPolarHBondContact OD1-CA 3.3Å; S354-L376 WeakPolarHBondContact OG-CD1 3.4Å; I357-L376 HydrophobicContact CB-CD2 4.11Å; I357-L376 HydrophobicContact CD1-CD2 4.42Å; I357-L376 HydrophobicContact CG2-CD1 3.91Å; I357-L376 HydrophobicContact CG2-CD2 3.92Å; I357-L376 HydrophobicContact CG2-CG 4.23Å; F374-L376 HydrophobicContact CD2-CD1 3.63Å; F374-L376 HydrophobicContact CD2-CG 3.81Å; F374-L376 HydrophobicContact CE2-CD1 3.71Å; F374-L376 HydrophobicContact CE2-CG 4.32Å; L376-Y425 CarbonylContact O-C 3.48Å; L376-Y425 VanDerWaalsContact O-CA 3.23Å; L376-Y425 WeakPolarHBondContact O-CA 3.08Å; L376-T426 PolarHBondContact N-O 2.03Å; L376-T426 PolarHBondContact O-N 2.85Å; L376-V438 HydrophobicContact CB-CG2 3.97Å; L376-V438 HydrophobicContact CD1-CG2 4.34Å
377	Q	88.8	Confident	71.9	Confident	69 Å²	69	71.7 Å²	71.7	32%	0.322	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.4	-179.5	-164.1	-165.7	43.9	0	0	110.6	D294 R325 G424	D294-Q377 WeakPolarHBondContact OD1-CB 3.47Å; D294-Q377 PolarHBondContact OD1-N 2.66Å; R325-Q377 PolarHBondContact NH1-O 3.33Å; R325-Q377 PolarHBondContact NH2-O 3.33Å; Q377-G424 WeakPolarHBondContact CA-O 3.02Å; Q377-G424 WeakPolarHBondContact CG-O 3Å
378	H	84.3	Confident	70.5	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.056	37%	0.371	C	S	.	.			trans	-124.6	138.5	177.1	55.9	82.9	0	0	0	110.2	G353 A380 H422 G424 Y425 T426 L440	G353-H378 WeakPolarHBondContact O-CA 3.48Å; G353-H378 WeakPolarHBondContact O-CB 3.47Å; H378-A380 PolarHBondContact O-N 3.28Å; H378-H422 PolarHBondContact CE1-O 3.19Å; H378-H422 PolarHBondContact NE2-O 2.79Å; H378-G424 PolarHBondContact N-O 2.99Å; H378-G424 VanDerWaalsContact N-O 3.07Å; H378-G424 CarbonylContact O-C 3.58Å; H378-G424 WeakPolarHBondContact O-CA 3.41Å; H378-Y425 WeakPolarHBondContact NE2-CA 3.3Å; H378-Y425 PolarHBondContact NE2-O 3.43Å; H378-T426 WeakPolarHBondContact NE2-CA 3.09Å; H378-T426 WeakPolarHBondContact NE2-CB 3.49Å; H378-T426 PolarHBondContact NE2-N 3.25Å; H378-T426 PolarHBondContact NE2-OG1 3.16Å; H378-L440 HydrophobicContact CB-CD1 4.41Å
379	K	68.1	Low	69.3	Low	148 Å²	148	71.3 Å²	71.3	64%	0.643	37%	0.373	S	S	*	.			trans	-90.9	97.2	175.4	-71.2	179.9	-177.3	170.7	0	108.6	Q381	K379-Q381 PolarHBondContact O-N 2.71Å
380	A	56.7	Low	68.7	Low	42 Å²	42	69.9 Å²	69.9	35%	0.347	36%	0.361	S	S	.	.			trans	-70.8	36.8	166.1	0	0	0	0	0	112.7	H378	H378-A380 PolarHBondContact O-N 3.28Å
381	Q	46	Very low	68.3	Low	168 Å²	168	71.5 Å²	71.5	79%	0.785	37%	0.366	S	S	*	.			trans	-124.8	30.5	-176.5	-74.7	-168.5	-32.6	0	0	111.7	K379 S383	K379-Q381 PolarHBondContact O-N 2.71Å; Q381-S383 PolarHBondContact O-N 2.04Å
382	F	46.1	Very low	68	Low	132 Å²	132	72.1 Å²	72.1	58%	0.579	37%	0.369	S	S	*	.	S	Bend	trans	-65.3	121.8	161.1	-100.6	-87.7	0	0	0	108.4	Y391	F382-Y391 PolarHBondContact O-OH 2.03Å
383	S	37.2	Very low	67.9	Low	62 Å²	62	72.3 Å²	72.3	43%	0.434	37%	0.37	S	S	.	.			trans	56.6	98.9	178.6	178.4	0	0	0	0	116.2	Q381 N385 S386	Q381-S383 PolarHBondContact O-N 2.04Å; S383-N385 PolarHBondContact O-N 3.07Å; S383-N385 PolarHBondContact OG-N 3.22Å; S383-S386 WeakPolarHBondContact CB-OG 3.36Å; S383-S386 PolarHBondContact O-OG 3.35Å; S383-S386 PolarHBondContact OG-N 3.44Å; S383-S386 PolarHBondContact OG-OG 2.88Å
384	Q	35.8	Very low	67.8	Low	187 Å²	187	69.8 Å²	69.8	87%	0.874	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	5.7	162.2	-160.3	168.4	10.1	0	0	113
385	N	38	Very low	67.8	Low	158 Å²	158	69.9 Å²	69.9	85%	0.845	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-4.8	-177.4	-63.7	-17.4	0	0	0	113.5	S383	S383-N385 PolarHBondContact O-N 3.07Å; S383-N385 PolarHBondContact OG-N 3.22Å
386	S	41.5	Very low	67.9	Low	48 Å²	48	67.5 Å²	67.5	34%	0.336	35%	0.349	S	S	.	.			trans	-125.1	96.1	-177.6	48.6	0	0	0	0	110.3	S383 D388	S383-S386 WeakPolarHBondContact CB-OG 3.36Å; S383-S386 PolarHBondContact O-OG 3.35Å; S383-S386 PolarHBondContact OG-N 3.44Å; S383-S386 PolarHBondContact OG-OG 2.88Å; S386-D388 PolarHBondContact O-N 2.86Å
387	I	52.7	Low	67.9	Low	115 Å²	115	68.3 Å²	68.3	59%	0.59	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.1	-165.6	-68.8	174.6	0	0	0	113.1	Q595	I387-Q595 VanDerWaalsContact CD1-NE2 3.28Å
388	D	56.7	Low	68.1	Low	94 Å²	94	66 Å²	66	50%	0.503	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.5	-174.8	-62	-67.2	0	0	0	115.1	S386 T445	S386-D388 PolarHBondContact O-N 2.86Å; D388-T445 WeakPolarHBondContact O-CB 3.44Å; D388-T445 PolarHBondContact O-N 2.93Å; D388-T445 PolarHBondContact O-OG1 2.91Å
389	S	65.8	Low	68.3	Low	33 Å²	33	66.1 Å²	66.1	23%	0.231	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.3	179.4	-57.6	0	0	0	0	112.6	Y443	S389-Y443 WeakPolarHBondContact CA-O 3.46Å
390	V	75.8	Confident	69.1	Low	55 Å²	55	61.7 Å²	61.7	33%	0.333	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.8	172.3	170.5	0	0	0	0	109.3	Y443 T445	V390-Y443 PolarHBondContact N-O 2.97Å; V390-Y443 PolarHBondContact O-N 2.93Å; V390-T445 WeakPolarHBondContact CG2-OG1 3.29Å
391	Y	81.5	Confident	70.2	Confident	50 Å²	50	67.1 Å²	67.1	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.9	178.4	-60.2	-85.9	0	0	0	110.1	F382 L440 Q441 V442	F382-Y391 PolarHBondContact O-OH 2.03Å; Y391-L440 HydrophobicContact CD1-CB 4.36Å; Y391-Q441 WeakPolarHBondContact CA-O 3.17Å; Y391-V442 HydrophobicContact CD1-CB 4.5Å; Y391-V442 HydrophobicContact CD1-CG1 4.34Å; Y391-V442 HydrophobicContact CD1-CG2 4Å; Y391-V442 HydrophobicContact CE1-CB 4.35Å; Y391-V442 HydrophobicContact CE1-CG1 3.85Å; Y391-V442 HydrophobicContact CE1-CG2 3.82Å
392	D	87.1	Confident	71.2	Confident	18 Å²	18	62.2 Å²	62.2	10%	0.096	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.6	173.5	-142.2	53.9	0	0	0	111.9	K421 Q441 Y443	D392-K421 IonicContact OD1-NZ 2.9Å; D392-K421 PolarHBondContact OD1-NZ 2.82Å; D392-K421 IonicContact OD2-NZ 3.3Å; D392-K421 PolarHBondContact OD2-NZ 3.18Å; D392-Q441 PolarHBondContact N-O 2.98Å; D392-Q441 PolarHBondContact O-N 2.88Å; D392-Y443 HydrophobicContact CB-CD2 4.35Å; D392-Y443 HydrophobicContact CB-CE2 4.02Å
393	P	90.7	Very high	71.7	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.032	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.1	-175	32.2	-34	0	0	0	112.7	K421 T426 V438 L439 L440	P393-K421 HydrophobicContact CG-CB 4.09Å; P393-K421 HydrophobicContact CG-CD 3.89Å; P393-T426 HydrophobicContact CB-CG2 4.25Å; P393-T426 VanDerWaalsContact CB-OG1 3.31Å; P393-T426 WeakPolarHBondContact CB-OG1 3.42Å; P393-T426 WeakPolarHBondContact CG-OG1 3.03Å; P393-V438 HydrophobicContact CB-CG1 3.63Å; P393-L439 CarbonylContact C-O 3.49Å; P393-L439 WeakPolarHBondContact CA-O 3.09Å; P393-L440 HydrophobicContact CB-CD2 4.07Å
394	V	92.1	Very high	72.1	Confident	16 Å²	16	60.5 Å²	60.5	10%	0.097	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.7	178.2	176.4	0	0	0	0	110.5	M336 T413 V438 L439 Q441	M336-V394 HydrophobicContact CE-CG1 3.87Å; M336-V394 HydrophobicContact CE-CG2 4.31Å; M336-V394 HydrophobicContact SD-CG1 4.07Å; V394-T413 HydrophobicContact CG1-CG2 3.6Å; V394-V438 CarbonylContact O-C 3.51Å; V394-V438 WeakPolarHBondContact O-CA 3.42Å; V394-L439 PolarHBondContact N-O 2.96Å; V394-L439 PolarHBondContact O-N 2.88Å; V394-Q441 HydrophobicContact CG2-CG 3.78Å
395	C	94.3	Very high	72.7	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.034	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.2	174.3	-54.5	0	0	0	0	110.3	C416 C428	C395-C416 HydrophobicContact CB-CB 4.2Å; C395-C428 HydrophobicContact CB-CB 3.69Å; C395-C428 WeakPolarHBondContact CB-SG 3.3Å; C395-C428 WeakPolarHBondContact SG-CB 3.28Å; C395-C428 CovalentContact SG-SG 2.03Å; C395-C428 PolarHBondContact SG-SG 3.02Å
396	A	94.1	Very high	73.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.8	-177.3	0	0	0	0	0	112.6	W411 N412 T413 F436 A437 L439	A396-W411 HydrophobicContact CB-CE3 4.18Å; A396-N412 CarbonylContact C-O 3.58Å; A396-N412 VanDerWaalsContact CA-O 3.26Å; A396-N412 WeakPolarHBondContact CA-O 3.3Å; A396-N412 WeakPolarHBondContact CB-O 3.35Å; A396-T413 HydrophobicContact CB-CG2 4.41Å; A396-F436 WeakPolarHBondContact O-CA 3.38Å; A396-A437 PolarHBondContact N-O 2.78Å; A396-A437 PolarHBondContact O-N 2.95Å; A396-L439 HydrophobicContact CB-CD1 3.77Å; A396-L439 HydrophobicContact CB-CG 3.95Å
397	F	93.6	Very high	73.9	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.2	171.7	74	-82.2	0	0	0	110.1	D399 N412 R414 H432 N435 F436	F397-D399 HydrophobicContact CD2-CB 4.34Å; F397-D399 HydrophobicContact CE2-CB 3.73Å; F397-D399 HydrophobicContact CZ-CB 4.24Å; F397-N412 HydrophobicContact CD1-CB 4.23Å; F397-N412 WeakPolarHBondContact CD1-O 3.46Å; F397-N412 HydrophobicContact CE1-CB 3.75Å; F397-N412 HydrophobicContact CE2-CB 4.39Å; F397-N412 HydrophobicContact CZ-CB 3.87Å; F397-N412 WeakPolarHBondContact CZ-ND2 3.39Å; F397-N412 PolarHBondContact N-O 2.84Å; F397-N412 PolarHBondContact O-N 3.47Å; F397-R414 HydrophobicContact CE1-CB 4.34Å; F397-R414 WeakPolarHBondContact CE1-O 3.44Å; F397-H432 AromaticContact CD1-CE1 3.57Å; F397-H432 AromaticContact CD1-NE2 3.59Å; F397-H432 AromaticContact CD2-CE1 3.78Å; F397-H432 AromaticContact CE1-CE1 3.89Å; F397-H432 AromaticContact CE1-NE2 3.52Å; F397-H432 AromaticContact CG-CE1 3.51Å; F397-H432 AromaticContact CZ-NE2 3.85Å; F397-N435 WeakPolarHBondContact CA-O 3.45Å; F397-N435 WeakPolarHBondContact CB-O 3.33Å; F397-F436 HydrophobicContact CB-CD1 3.84Å; F397-F436 HydrophobicContact CB-CE1 3.99Å
398	W	91.1	Very high	74.6	Confident	20 Å²	20	51.9 Å²	51.9	8%	0.076	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117	172	-170	-89	0	0	0	110.5	M233 F328 F400 G409 W411 N435	M233-W398 HydrophobicContact CB-CD2 4.17Å; M233-W398 HydrophobicContact CB-CG 4.42Å; M233-W398 HydrophobicContact CB-CZ2 4.18Å; M233-W398 HydrophobicContact CE-CB 3.74Å; M233-W398 HydrophobicContact CE-CD2 4.39Å; M233-W398 HydrophobicContact CE-CG 3.9Å; M233-W398 HydrophobicContact CG-CD2 3.69Å; M233-W398 HydrophobicContact CG-CE3 3.9Å; M233-W398 HydrophobicContact CG-CG 4.13Å; M233-W398 HydrophobicContact CG-CH2 4.31Å; M233-W398 HydrophobicContact CG-CZ2 4.11Å; M233-W398 HydrophobicContact CG-CZ3 4.21Å; F328-W398 HydrophobicContact CE1-CH2 4.4Å; F328-W398 AromaticContact CE1-CZ3 3.89Å; F328-W398 HydrophobicContact CE1-CZ3 3.89Å; F328-W398 HydrophobicContact CZ-CZ3 4.27Å; W398-F400 AromaticContact CD1-CD1 3.34Å; W398-F400 AromaticContact CD1-CE1 3.3Å; W398-F400 AromaticContact CD1-CG 3.76Å; W398-F400 AromaticContact CD1-CZ 3.69Å; W398-F400 HydrophobicContact CG-CE1 4.42Å; W398-F400 AromaticContact NE1-CD1 3.42Å; W398-F400 AromaticContact NE1-CE1 3.51Å; W398-G409 VanDerWaalsContact CZ2-C 3.43Å; W398-G409 WeakPolarHBondContact CZ2-O 3.2Å; W398-W411 HydrophobicContact CB-CE3 4.36Å; W398-W411 HydrophobicContact CB-CZ3 4.21Å; W398-W411 AromaticContact CE3-CD1 3.9Å; W398-W411 AromaticContact CE3-CD2 3.71Å; W398-W411 HydrophobicContact CE3-CD2 3.71Å; W398-W411 AromaticContact CE3-CE2 3.6Å; W398-W411 HydrophobicContact CE3-CE3 4.26Å; W398-W411 AromaticContact CE3-CG 3.92Å; W398-W411 HydrophobicContact CE3-CG 3.92Å; W398-W411 HydrophobicContact CE3-CZ2 4.04Å; W398-W411 AromaticContact CE3-NE1 3.74Å; W398-W411 AromaticContact CZ3-CD1 3.67Å; W398-W411 HydrophobicContact CZ3-CD2 4.27Å; W398-W411 AromaticContact CZ3-CE2 3.92Å; W398-W411 HydrophobicContact CZ3-CG 4.13Å; W398-W411 AromaticContact CZ3-NE1 3.55Å; W398-N435 WeakPolarHBondContact CB-OD1 3.18Å; W398-N435 PolarHBondContact N-O 3.1Å; W398-N435 PolarHBondContact N-OD1 3.48Å; W398-N435 PolarHBondContact O-ND2 2.89Å
399	D	89.4	Confident	75.7	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.08	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	100.2	178.9	-167.4	-29.9	0	0	0	108.9	F397 D401 L402 G409 W410 N412 R414	F397-D399 HydrophobicContact CD2-CB 4.34Å; F397-D399 HydrophobicContact CE2-CB 3.73Å; F397-D399 HydrophobicContact CZ-CB 4.24Å; D399-D401 PolarHBondContact O-N 3.02Å; D399-D401 PolarHBondContact OD1-N 3.25Å; D399-L402 HydrophobicContact CB-CB 4.29Å; D399-L402 HydrophobicContact CB-CD1 3.95Å; D399-L402 HydrophobicContact CB-CG 4.18Å; D399-L402 PolarHBondContact O-N 3.47Å; D399-L402 PolarHBondContact OD1-N 3.47Å; D399-L402 WeakPolarHBondContact OD2-CD1 3.39Å; D399-G409 CarbonylContact O-C 3.54Å; D399-G409 VanDerWaalsContact O-CA 3.25Å; D399-G409 WeakPolarHBondContact O-CA 3.46Å; D399-W410 PolarHBondContact N-O 3.15Å; D399-W410 PolarHBondContact O-N 2.92Å; D399-N412 HydrophobicContact CB-CB 3.75Å; D399-N412 PolarHBondContact OD2-ND2 3.16Å; D399-R414 IonicContact OD2-CZ 2.69Å; D399-R414 IonicContact OD2-NH2 3.02Å; D399-R414 PolarHBondContact OD2-NH2 3.48Å
400	F	85.1	Confident	76.7	Confident	55 Å²	55	50.2 Å²	50.2	24%	0.241	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.2	-178.6	-68.3	-72.3	0	0	0	114	M233 K237 W398	M233-F400 HydrophobicContact CB-CE1 4.2Å; M233-F400 HydrophobicContact CE-CZ 4.4Å; K237-F400 HydrophobicContact CB-CE1 3.77Å; K237-F400 HydrophobicContact CB-CZ 3.77Å; K237-F400 HydrophobicContact CD-CD1 3.72Å; K237-F400 HydrophobicContact CD-CE1 3.67Å; K237-F400 HydrophobicContact CD-CG 4.4Å; K237-F400 HydrophobicContact CD-CZ 4.32Å; K237-F400 HydrophobicContact CG-CD1 4.25Å; K237-F400 HydrophobicContact CG-CE1 3.88Å; K237-F400 HydrophobicContact CG-CE2 4.49Å; K237-F400 HydrophobicContact CG-CZ 4.01Å; W398-F400 AromaticContact CD1-CD1 3.34Å; W398-F400 AromaticContact CD1-CE1 3.3Å; W398-F400 AromaticContact CD1-CG 3.76Å; W398-F400 AromaticContact CD1-CZ 3.69Å; W398-F400 HydrophobicContact CG-CE1 4.42Å; W398-F400 AromaticContact NE1-CD1 3.42Å; W398-F400 AromaticContact NE1-CE1 3.51Å
401	D	79.6	Confident	77.3	Confident	156 Å²	156	48 Å²	48	83%	0.834	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-3.6	-178.5	-63.4	-33.1	0	0	0	112.7	D399	D399-D401 PolarHBondContact O-N 3.02Å; D399-D401 PolarHBondContact OD1-N 3.25Å
402	L	67.2	Low	77.7	Confident	64 Å²	64	46.3 Å²	46.3	34%	0.335	26%	0.257	S	S	.	.	S	Bend	trans	-92.7	144.1	177.6	-80	179.6	0	0	0	113.5	D399 G409 W410 N412	D399-L402 HydrophobicContact CB-CB 4.29Å; D399-L402 HydrophobicContact CB-CD1 3.95Å; D399-L402 HydrophobicContact CB-CG 4.18Å; D399-L402 PolarHBondContact O-N 3.47Å; D399-L402 PolarHBondContact OD1-N 3.47Å; D399-L402 WeakPolarHBondContact OD2-CD1 3.39Å; L402-G409 WeakPolarHBondContact O-CA 3.2Å; L402-W410 HydrophobicContact CB-CB 4.42Å; L402-N412 HydrophobicContact CD1-CB 4.18Å
403	T	57.1	Low	77.9	Confident	96 Å²	96	48 Å²	48	59%	0.589	27%	0.268	S	S	*	.	S	Bend	trans	64.2	178.8	-179.7	35.8	0	0	0	0	115.7
404	S	45	Very low	78	Confident	62 Å²	62	54.9 Å²	54.9	43%	0.434	29%	0.293	S	S	.	.			trans	-71.9	161.8	-156.6	52.6	0	0	0	0	114.2	E406 A407	S404-E406 PolarHBondContact O-N 2.91Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 VanDerWaalsContact O-N 3.12Å
405	P	49	Very low	78	Confident	137 Å²	137	55.5 Å²	55.5	89%	0.89	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	8.6	176.6	-24.1	35.4	0	0	0	116.6
406	E	49	Very low	78	Confident	139 Å²	139	56 Å²	56	65%	0.65	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	1.4	-179.1	-57.6	-178	137.7	0	0	112.2	R104 S404	R104-E406 IonicContact CZ-OE1 2.94Å; R104-E406 IonicContact NH1-OE1 2.68Å; R104-E406 PolarHBondContact NH1-OE1 3.14Å; S404-E406 PolarHBondContact O-N 2.91Å
407	A	55.5	Low	78	Confident	36 Å²	36	62.2 Å²	62.2	30%	0.298	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-9.5	-173.4	0	0	0	0	0	116.2	S404 G409	S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 VanDerWaalsContact O-N 3.12Å; A407-G409 PolarHBondContact O-N 2.94Å
408	G	66.3	Low	77.9	Confident	16 Å²	16	64.9 Å²	64.9	17%	0.165	35%	0.35	C	S	.	.			trans	68.2	-6.2	170.6	0	0	0	0	0	119.2	N230	N230-G408 PolarHBondContact OD1-N 3.19Å
409	G	81.4	Confident	78	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.021	37%	0.368	C	S	.	.			trans	150.1	-175.9	171.5	0	0	0	0	0	112.7	W398 D399 L402 A407	W398-G409 VanDerWaalsContact CZ2-C 3.43Å; W398-G409 WeakPolarHBondContact CZ2-O 3.2Å; D399-G409 CarbonylContact O-C 3.54Å; D399-G409 VanDerWaalsContact O-CA 3.25Å; D399-G409 WeakPolarHBondContact O-CA 3.46Å; L402-G409 WeakPolarHBondContact O-CA 3.2Å; A407-G409 PolarHBondContact O-N 2.94Å
410	W	85.2	Confident	78	Confident	89 Å²	89	68.4 Å²	68.4	34%	0.337	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.2	174.1	-154.8	-107.4	0	0	0	113.3	I334 T335 D399 L402	I334-W410 HydrophobicContact CG2-CZ2 4.48Å; T335-W410 PolarHBondContact O-NE1 3.31Å; T335-W410 VanDerWaalsContact O-NE1 3.14Å; T335-W410 WeakPolarHBondContact OG1-CZ2 3.43Å; D399-W410 PolarHBondContact N-O 3.15Å; D399-W410 PolarHBondContact O-N 2.92Å; L402-W410 HydrophobicContact CB-CB 4.42Å
411	W	88.9	Confident	78.1	Confident	9 Å²	9	71.2 Å²	71.2	3%	0.034	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.3	171.2	-71.1	110.7	0	0	0	111.8	F328 I334 L352 V356 A396 W398 A437 L439	F328-W411 HydrophobicContact CE1-CZ2 4.36Å; F328-W411 AromaticContact CE1-NE1 3.72Å; F328-W411 HydrophobicContact CE2-CZ2 4.3Å; F328-W411 AromaticContact CZ-CZ2 3.87Å; F328-W411 HydrophobicContact CZ-CZ2 3.87Å; I334-W411 HydrophobicContact CD1-CG 4.49Å; I334-W411 HydrophobicContact CG2-CB 4.14Å; I334-W411 HydrophobicContact CG2-CG 4.33Å; L352-W411 HydrophobicContact CD1-CH2 4.37Å; L352-W411 HydrophobicContact CD1-CZ2 4.13Å; L352-W411 HydrophobicContact CD2-CZ2 4.35Å; V356-W411 HydrophobicContact CG2-CH2 4.1Å; A396-W411 HydrophobicContact CB-CE3 4.18Å; W398-W411 HydrophobicContact CB-CE3 4.36Å; W398-W411 HydrophobicContact CB-CZ3 4.21Å; W398-W411 AromaticContact CE3-CD1 3.9Å; W398-W411 AromaticContact CE3-CD2 3.71Å; W398-W411 HydrophobicContact CE3-CD2 3.71Å; W398-W411 AromaticContact CE3-CE2 3.6Å; W398-W411 HydrophobicContact CE3-CE3 4.26Å; W398-W411 AromaticContact CE3-CG 3.92Å; W398-W411 HydrophobicContact CE3-CG 3.92Å; W398-W411 HydrophobicContact CE3-CZ2 4.04Å; W398-W411 AromaticContact CE3-NE1 3.74Å; W398-W411 AromaticContact CZ3-CD1 3.67Å; W398-W411 HydrophobicContact CZ3-CD2 4.27Å; W398-W411 AromaticContact CZ3-CE2 3.92Å; W398-W411 HydrophobicContact CZ3-CG 4.13Å; W398-W411 AromaticContact CZ3-NE1 3.55Å; W411-A437 HydrophobicContact CH2-CB 3.67Å; W411-A437 HydrophobicContact CZ3-CB 3.72Å; W411-L439 HydrophobicContact CB-CD1 3.96Å; W411-L439 HydrophobicContact CD2-CD1 4.34Å; W411-L439 HydrophobicContact CD2-CD2 4.09Å; W411-L439 HydrophobicContact CG-CD1 4Å; W411-L439 HydrophobicContact CG-CD2 4.36Å
412	N	90	Very high	78.4	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.08	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.7	-175.8	-177.4	4.4	0	0	0	111.1	A396 F397 D399 L402 R414	A396-N412 CarbonylContact C-O 3.58Å; A396-N412 VanDerWaalsContact CA-O 3.26Å; A396-N412 WeakPolarHBondContact CA-O 3.3Å; A396-N412 WeakPolarHBondContact CB-O 3.35Å; F397-N412 HydrophobicContact CD1-CB 4.23Å; F397-N412 WeakPolarHBondContact CD1-O 3.46Å; F397-N412 HydrophobicContact CE1-CB 3.75Å; F397-N412 HydrophobicContact CE2-CB 4.39Å; F397-N412 HydrophobicContact CZ-CB 3.87Å; F397-N412 WeakPolarHBondContact CZ-ND2 3.39Å; F397-N412 PolarHBondContact N-O 2.84Å; F397-N412 PolarHBondContact O-N 3.47Å; D399-N412 HydrophobicContact CB-CB 3.75Å; D399-N412 PolarHBondContact OD2-ND2 3.16Å; L402-N412 HydrophobicContact CD1-CB 4.18Å; N412-R414 PolarHBondContact ND2-NE 2.96Å; N412-R414 PolarHBondContact ND2-NH2 2.84Å; N412-R414 WeakPolarHBondContact OD1-CB 3.37Å; N412-R414 VanDerWaalsContact OD1-CG 3.29Å; N412-R414 WeakPolarHBondContact OD1-CG 3.31Å; N412-R414 PolarHBondContact OD1-N 3.23Å
413	T	92.3	Very high	78.8	Confident	52 Å²	52	75.2 Å²	75.2	32%	0.319	39%	0.391	S	S	.	.			trans	-110.7	-6	-179.8	57.8	0	0	0	0	113.5	M336 V394 A396 G415 C416	M336-T413 HydrophobicContact CE-CG2 4.06Å; M336-T413 HydrophobicContact SD-CG2 3.8Å; V394-T413 HydrophobicContact CG1-CG2 3.6Å; A396-T413 HydrophobicContact CB-CG2 4.41Å; T413-G415 PolarHBondContact O-N 3.07Å; T413-G415 VanDerWaalsContact O-N 3.14Å; T413-C416 PolarHBondContact O-N 2.69Å
414	R	91.7	Very high	79.9	Confident	151 Å²	151	71.8 Å²	71.8	57%	0.57	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	117.6	-178	-73.4	-176	-64.9	164.9	8.5	112.1	F397 D399 N412 C416 H432	F397-R414 HydrophobicContact CE1-CB 4.34Å; F397-R414 WeakPolarHBondContact CE1-O 3.44Å; D399-R414 IonicContact OD2-CZ 2.69Å; D399-R414 IonicContact OD2-NH2 3.02Å; D399-R414 PolarHBondContact OD2-NH2 3.48Å; N412-R414 PolarHBondContact ND2-NE 2.96Å; N412-R414 PolarHBondContact ND2-NH2 2.84Å; N412-R414 WeakPolarHBondContact OD1-CB 3.37Å; N412-R414 VanDerWaalsContact OD1-CG 3.29Å; N412-R414 WeakPolarHBondContact OD1-CG 3.31Å; N412-R414 PolarHBondContact OD1-N 3.23Å; R414-C416 VanDerWaalsContact C-N 3.34Å; R414-H432 PolarHBondContact O-NE2 3.32Å
415	G	91.3	Very high	81.9	Confident	28 Å²	28	71.6 Å²	71.6	29%	0.289	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	5.6	179.7	0	0	0	0	0	115	T413 C430 N431	T413-G415 PolarHBondContact O-N 3.07Å; T413-G415 VanDerWaalsContact O-N 3.14Å; G415-C430 CarbonylContact O-C 3.49Å; G415-C430 VanDerWaalsContact O-CA 3.27Å; G415-C430 WeakPolarHBondContact O-CA 3.26Å; G415-N431 WeakPolarHBondContact CA-OD1 3.45Å; G415-N431 PolarHBondContact O-N 2.85Å; G415-N431 PolarHBondContact O-OD1 2.74Å
416	C	94.7	Very high	84	Confident	17 Å²	17	65.1 Å²	65.1	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.8	173.2	-71.4	0	0	0	0	111.6	C395 T413 R414 Y429 C430	C395-C416 HydrophobicContact CB-CB 4.2Å; T413-C416 PolarHBondContact O-N 2.69Å; R414-C416 VanDerWaalsContact C-N 3.34Å; C416-Y429 CarbonylContact C-O 3.51Å; C416-Y429 WeakPolarHBondContact CA-O 3.36Å; C416-C430 VanDerWaalsContact CA-SG 3.59Å; C416-C430 HydrophobicContact CB-CB 4.16Å; C416-C430 WeakPolarHBondContact CB-SG 3.44Å; C416-C430 WeakPolarHBondContact SG-CB 3.11Å; C416-C430 CovalentContact SG-SG 2.04Å; C416-C430 PolarHBondContact SG-SG 2.91Å
417	E	94	Very high	86	Confident	129 Å²	129	59.8 Å²	59.8	60%	0.603	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.7	-175.3	-64.9	179.8	-173.5	0	0	111	Y429	E417-Y429 HydrophobicContact CB-CD1 4.41Å; E417-Y429 PolarHBondContact N-O 2.83Å; E417-Y429 PolarHBondContact O-N 3.04Å
418	L	93.1	Very high	88	Confident	74 Å²	74	58.1 Å²	58.1	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.5	177.5	179.4	67.9	0	0	0	110.6	K421 T426	L418-K421 HydrophobicContact CD2-CD 4.06Å; L418-K421 HydrophobicContact CD2-CG 4.34Å; L418-T426 HydrophobicContact CD1-CG2 3.32Å
419	V	92.9	Very high	89.4	Confident	76 Å²	76	60.6 Å²	60.6	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-46.7	-178.5	-179.2	0	0	0	0	111.9	V427	V419-V427 WeakPolarHBondContact CA-O 3.46Å; V419-V427 HydrophobicContact CB-CB 4.36Å; V419-V427 HydrophobicContact CB-CG1 4.15Å; V419-V427 WeakPolarHBondContact CB-O 2.88Å; V419-V427 HydrophobicContact CG1-CG1 4.35Å; V419-V427 PolarHBondContact N-O 3.5Å
420	S	89.6	Confident	90	Very high	33 Å²	33	60.5 Å²	60.5	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	132.3	176.3	76.1	0	0	0	0	117	H422 V427	S420-H422 PolarHBondContact OG-CD2 3.48Å; S420-H422 PolarHBondContact OG-NE2 2.88Å; S420-V427 PolarHBondContact N-O 3.2Å; S420-V427 VanDerWaalsContact N-O 3.1Å; S420-V427 PolarHBondContact O-N 3.15Å; S420-V427 WeakPolarHBondContact OG-CB 3.22Å; S420-V427 WeakPolarHBondContact OG-CG2 3.4Å
421	K	87	Confident	90.5	Very high	115 Å²	115	60.5 Å²	60.5	50%	0.5	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	104.6	167	86.4	177.5	176.8	-171.2	0	117.8	D392 P393 L418	D392-K421 IonicContact OD1-NZ 2.9Å; D392-K421 PolarHBondContact OD1-NZ 2.82Å; D392-K421 IonicContact OD2-NZ 3.3Å; D392-K421 PolarHBondContact OD2-NZ 3.18Å; P393-K421 HydrophobicContact CG-CB 4.09Å; P393-K421 HydrophobicContact CG-CD 3.89Å; L418-K421 HydrophobicContact CD2-CD 4.06Å; L418-K421 HydrophobicContact CD2-CG 4.34Å
422	H	84.1	Confident	90.7	Very high	74 Å²	74	61.1 Å²	61.1	34%	0.343	30%	0.299	S	S	.	.			trans	-135.8	156.9	164.7	-50.1	-88.1	0	0	0	113.4	H378 S420 G424 Y425	H378-H422 PolarHBondContact CE1-O 3.19Å; H378-H422 PolarHBondContact NE2-O 2.79Å; S420-H422 PolarHBondContact OG-CD2 3.48Å; S420-H422 PolarHBondContact OG-NE2 2.88Å; H422-G424 VanDerWaalsContact C-N 3.28Å; H422-G424 PolarHBondContact O-N 3.14Å; H422-Y425 CarbonylContact C-O 3.53Å; H422-Y425 WeakPolarHBondContact CA-O 3.3Å; H422-Y425 HydrophobicContact CB-CD1 4.02Å; H422-Y425 HydrophobicContact CB-CD2 4.23Å; H422-Y425 HydrophobicContact CB-CE1 3.77Å; H422-Y425 HydrophobicContact CB-CE2 4.01Å; H422-Y425 HydrophobicContact CB-CG 4.24Å; H422-Y425 VanDerWaalsContact CB-O 3.3Å; H422-Y425 WeakPolarHBondContact CB-O 3.22Å; H422-Y425 AromaticContact CD2-CD2 3.87Å; H422-Y425 AromaticContact CD2-CE2 3.17Å; H422-Y425 WeakPolarHBondContact CD2-CE2 3.46Å; H422-Y425 AromaticContact CD2-CZ 3.46Å; H422-Y425 VanDerWaalsContact CD2-CZ 3.46Å; H422-Y425 AromaticContact CG-CE1 3.96Å; H422-Y425 AromaticContact CG-CE2 3.62Å; H422-Y425 AromaticContact CG-CZ 3.43Å; H422-Y425 VanDerWaalsContact CG-CZ 3.43Å; H422-Y425 PolarHBondContact N-O 3.25Å; H422-Y425 AromaticContact ND1-CZ 3.94Å; H422-Y425 AromaticContact NE2-CE2 3.82Å; H422-Y425 AromaticContact NE2-CZ 3.99Å
423	Y	76.6	Confident	90.8	Very high	229 Å²	229	61.1 Å²	61.1	90%	0.898	30%	0.3	S	S	*	.	S	Bend	trans	-67.3	-17.8	-170.4	-78.9	-74	0	0	0	115.9
424	G	80.9	Confident	90.8	Very high	24 Å²	24	60.6 Å²	60.6	25%	0.247	30%	0.297	C	S	.	.	S	Bend	trans	-138.1	2.2	179.8	0	0	0	0	0	114.5	Q377 H378 H422	Q377-G424 WeakPolarHBondContact CA-O 3.02Å; Q377-G424 WeakPolarHBondContact CG-O 3Å; H378-G424 PolarHBondContact N-O 2.99Å; H378-G424 VanDerWaalsContact N-O 3.07Å; H378-G424 CarbonylContact O-C 3.58Å; H378-G424 WeakPolarHBondContact O-CA 3.41Å; H422-G424 VanDerWaalsContact C-N 3.28Å; H422-G424 PolarHBondContact O-N 3.14Å
425	Y	87.4	Confident	90.9	Very high	59 Å²	59	53.8 Å²	53.8	23%	0.231	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.1	173.9	68.5	-90.6	0	0	0	109.9	L292 Q375 L376 H378 H422 V427	L292-Y425 HydrophobicContact CD2-CD1 3.88Å; Q375-Y425 HydrophobicContact CG-CD2 3.79Å; Q375-Y425 HydrophobicContact CG-CG 4.39Å; L376-Y425 CarbonylContact O-C 3.48Å; L376-Y425 VanDerWaalsContact O-CA 3.23Å; L376-Y425 WeakPolarHBondContact O-CA 3.08Å; H378-Y425 WeakPolarHBondContact NE2-CA 3.3Å; H378-Y425 PolarHBondContact NE2-O 3.43Å; H422-Y425 CarbonylContact C-O 3.53Å; H422-Y425 WeakPolarHBondContact CA-O 3.3Å; H422-Y425 HydrophobicContact CB-CD1 4.02Å; H422-Y425 HydrophobicContact CB-CD2 4.23Å; H422-Y425 HydrophobicContact CB-CE1 3.77Å; H422-Y425 HydrophobicContact CB-CE2 4.01Å; H422-Y425 HydrophobicContact CB-CG 4.24Å; H422-Y425 VanDerWaalsContact CB-O 3.3Å; H422-Y425 WeakPolarHBondContact CB-O 3.22Å; H422-Y425 AromaticContact CD2-CD2 3.87Å; H422-Y425 AromaticContact CD2-CE2 3.17Å; H422-Y425 WeakPolarHBondContact CD2-CE2 3.46Å; H422-Y425 AromaticContact CD2-CZ 3.46Å; H422-Y425 VanDerWaalsContact CD2-CZ 3.46Å; H422-Y425 AromaticContact CG-CE1 3.96Å; H422-Y425 AromaticContact CG-CE2 3.62Å; H422-Y425 AromaticContact CG-CZ 3.43Å; H422-Y425 VanDerWaalsContact CG-CZ 3.43Å; H422-Y425 PolarHBondContact N-O 3.25Å; H422-Y425 AromaticContact ND1-CZ 3.94Å; H422-Y425 AromaticContact NE2-CE2 3.82Å; H422-Y425 AromaticContact NE2-CZ 3.99Å; Y425-V427 HydrophobicContact CD2-CG2 4.26Å; Y425-V427 HydrophobicContact CE2-CG2 4.18Å
426	T	91.2	Very high	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.1	176.1	-77.4	0	0	0	0	109.1	Q375 L376 H378 P393 L418 V438	Q375-T426 WeakPolarHBondContact CA-O 3.49Å; L376-T426 PolarHBondContact N-O 2.03Å; L376-T426 PolarHBondContact O-N 2.85Å; H378-T426 WeakPolarHBondContact NE2-CA 3.09Å; H378-T426 WeakPolarHBondContact NE2-CB 3.49Å; H378-T426 PolarHBondContact NE2-N 3.25Å; H378-T426 PolarHBondContact NE2-OG1 3.16Å; P393-T426 HydrophobicContact CB-CG2 4.25Å; P393-T426 VanDerWaalsContact CB-OG1 3.31Å; P393-T426 WeakPolarHBondContact CB-OG1 3.42Å; P393-T426 WeakPolarHBondContact CG-OG1 3.03Å; L418-T426 HydrophobicContact CD1-CG2 3.32Å; T426-V438 HydrophobicContact CG2-CG1 4.34Å; T426-V438 HydrophobicContact CG2-CG2 4.01Å
427	V	92.9	Very high	91	Very high	28 Å²	28	51.7 Å²	51.7	17%	0.17	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.2	173.1	-172.7	0	0	0	0	109.4	F374 Q375 V419 S420 Y425	F374-V427 WeakPolarHBondContact O-CA 3.11Å; Q375-V427 HydrophobicContact CB-CG2 4.28Å; Q375-V427 HydrophobicContact CG-CG2 4.18Å; V419-V427 WeakPolarHBondContact CA-O 3.46Å; V419-V427 HydrophobicContact CB-CB 4.36Å; V419-V427 HydrophobicContact CB-CG1 4.15Å; V419-V427 WeakPolarHBondContact CB-O 2.88Å; V419-V427 HydrophobicContact CG1-CG1 4.35Å; V419-V427 PolarHBondContact N-O 3.5Å; S420-V427 PolarHBondContact N-O 3.2Å; S420-V427 VanDerWaalsContact N-O 3.1Å; S420-V427 PolarHBondContact O-N 3.15Å; S420-V427 WeakPolarHBondContact OG-CB 3.22Å; S420-V427 WeakPolarHBondContact OG-CG2 3.4Å; Y425-V427 HydrophobicContact CD2-CG2 4.26Å; Y425-V427 HydrophobicContact CE2-CG2 4.18Å
428	C	95.6	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157	-176.8	-64.4	0	0	0	0	111.2	H373 F374 C395	H373-C428 WeakPolarHBondContact CA-O 3.36Å; F374-C428 HydrophobicContact CD1-CB 4.17Å; F374-C428 HydrophobicContact CD2-CB 3.78Å; F374-C428 HydrophobicContact CE1-CB 3.74Å; F374-C428 HydrophobicContact CE2-CB 3.34Å; F374-C428 WeakPolarHBondContact CE2-SG 3.37Å; F374-C428 HydrophobicContact CG-CB 4.19Å; F374-C428 HydrophobicContact CZ-CB 3.3Å; F374-C428 PolarHBondContact N-O 2.98Å; F374-C428 VanDerWaalsContact N-O 3.12Å; F374-C428 PolarHBondContact O-N 3.23Å; C395-C428 HydrophobicContact CB-CB 3.69Å; C395-C428 WeakPolarHBondContact CB-SG 3.3Å; C395-C428 WeakPolarHBondContact SG-CB 3.28Å; C395-C428 CovalentContact SG-SG 2.03Å; C395-C428 PolarHBondContact SG-SG 3.02Å
429	Y	95.6	Very high	90.9	Very high	69 Å²	69	42 Å²	42	27%	0.271	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	167.8	166.7	-105.2	0	0	0	107.9	A371 V372 H373 C416 E417	A371-Y429 HydrophobicContact CB-CE2 3.69Å; V372-Y429 WeakPolarHBondContact O-CA 3.34Å; H373-Y429 AromaticContact CD2-CD2 3.74Å; H373-Y429 AromaticContact CE1-CD2 3.79Å; H373-Y429 AromaticContact NE2-CD2 3.38Å; H373-Y429 WeakPolarHBondContact NE2-CD2 3.43Å; C416-Y429 CarbonylContact C-O 3.51Å; C416-Y429 WeakPolarHBondContact CA-O 3.36Å; E417-Y429 HydrophobicContact CB-CD1 4.41Å; E417-Y429 PolarHBondContact N-O 2.83Å; E417-Y429 PolarHBondContact O-N 3.04Å
430	C	95.9	Very high	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.5	168	-60.2	0	0	0	0	109.9	A371 V372 G415 C416 H432 F436	A371-C430 CarbonylContact C-O 3.59Å; A371-C430 WeakPolarHBondContact CA-O 3.49Å; A371-C430 WeakPolarHBondContact CB-O 3.45Å; V372-C430 HydrophobicContact CG2-CB 4.07Å; V372-C430 PolarHBondContact N-O 2.9Å; V372-C430 PolarHBondContact O-N 2.99Å; G415-C430 CarbonylContact O-C 3.49Å; G415-C430 VanDerWaalsContact O-CA 3.27Å; G415-C430 WeakPolarHBondContact O-CA 3.26Å; C416-C430 VanDerWaalsContact CA-SG 3.59Å; C416-C430 HydrophobicContact CB-CB 4.16Å; C416-C430 WeakPolarHBondContact CB-SG 3.44Å; C416-C430 WeakPolarHBondContact SG-CB 3.11Å; C416-C430 CovalentContact SG-SG 2.04Å; C416-C430 PolarHBondContact SG-SG 2.91Å; C430-H432 VanDerWaalsContact C-N 3.31Å; C430-H432 PolarHBondContact O-N 3.07Å; C430-F436 HydrophobicContact CB-CD1 4.3Å; C430-F436 HydrophobicContact CB-CE1 3.58Å; C430-F436 HydrophobicContact CB-CZ 4.08Å; C430-F436 VanDerWaalsContact SG-CD1 3.6Å; C430-F436 WeakPolarHBondContact SG-CE1 3.46Å
431	N	94.5	Very high	90.6	Very high	89 Å²	89	37 Å²	37	48%	0.476	17%	0.174	S	C	.	.	S	Bend	trans	-87	3.8	-176.6	70.8	3.5	0	0	0	114.6	M370 G415	M370-N431 CarbonylContact C-O 3.53Å; G415-N431 WeakPolarHBondContact CA-OD1 3.45Å; G415-N431 PolarHBondContact O-N 2.85Å; G415-N431 PolarHBondContact O-OD1 2.74Å
432	H	93.6	Very high	90.4	Very high	21 Å²	21	32.4 Å²	32.4	10%	0.097	16%	0.155	C	C	.	.	S	Bend	trans	-135.3	168.4	-179	58	77.6	0	0	0	112	S369 M370 F397 R414 C430 T434 F436	S369-H432 WeakPolarHBondContact OG-CA 3.39Å; S369-H432 WeakPolarHBondContact OG-CB 3.5Å; M370-H432 CarbonylContact O-C 3.58Å; M370-H432 WeakPolarHBondContact O-CA 3.44Å; M370-H432 PolarHBondContact O-N 3.12Å; F397-H432 AromaticContact CD1-CE1 3.57Å; F397-H432 AromaticContact CD1-NE2 3.59Å; F397-H432 AromaticContact CD2-CE1 3.78Å; F397-H432 AromaticContact CE1-CE1 3.89Å; F397-H432 AromaticContact CE1-NE2 3.52Å; F397-H432 AromaticContact CG-CE1 3.51Å; F397-H432 AromaticContact CZ-NE2 3.85Å; R414-H432 PolarHBondContact O-NE2 3.32Å; C430-H432 VanDerWaalsContact C-N 3.31Å; C430-H432 PolarHBondContact O-N 3.07Å; H432-T434 PolarHBondContact CE1-OG1 3.33Å; H432-T434 PolarHBondContact ND1-OG1 2.96Å; H432-F436 AromaticContact CE1-CE1 3.6Å; H432-F436 AromaticContact ND1-CE1 3.77Å; H432-F436 AromaticContact ND1-CZ 3.73Å; H432-F436 VanDerWaalsContact O-CZ 3.3Å; H432-F436 WeakPolarHBondContact O-CZ 3.5Å
433	T	92	Very high	90.1	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.098	14%	0.139	C	C	.	.			trans	-109.1	106.6	175.6	43.9	0	0	0	0	110	S359 V361 I368 S369 M370 V372	S359-T433 CarbonylContact O-C 3.56Å; S359-T433 WeakPolarHBondContact O-CA 3.46Å; S359-T433 WeakPolarHBondContact O-CB 3.4Å; V361-T433 HydrophobicContact CB-CG2 4.48Å; V361-T433 HydrophobicContact CG2-CG2 3.89Å; I368-T433 PolarHBondContact O-OG1 3.23Å; S369-T433 WeakPolarHBondContact CA-OG1 3.36Å; M370-T433 HydrophobicContact CG-CG2 3.67Å; M370-T433 PolarHBondContact O-N 2.86Å; V372-T433 HydrophobicContact CG1-CG2 3.91Å
434	T	92.1	Very high	89.6	Confident	41 Å²	41	22.1 Å²	22.1	25%	0.252	12%	0.115	S	C	.	.	S	Bend	trans	-145.5	-142.9	177.4	56.9	0	0	0	0	109.8	S358 S359 H432 F436	S358-T434 WeakPolarHBondContact CA-O 3.11Å; S358-T434 PolarHBondContact OG-O 2.7Å; S359-T434 PolarHBondContact N-O 3.16Å; S359-T434 VanDerWaalsContact N-O 3.15Å; H432-T434 PolarHBondContact CE1-OG1 3.33Å; H432-T434 PolarHBondContact ND1-OG1 2.96Å; T434-F436 WeakPolarHBondContact O-CE2 3.31Å; T434-F436 WeakPolarHBondContact OG1-CE1 3.18Å; T434-F436 VanDerWaalsContact OG1-CZ 3.3Å; T434-F436 WeakPolarHBondContact OG1-CZ 3.34Å
435	N	93.4	Very high	88.5	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.043	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.2	173.7	69.9	90.9	0	0	0	108.7	M233 V356 F397 W398	M233-N435 WeakPolarHBondContact CE-OD1 3.24Å; V356-N435 HydrophobicContact CG1-CB 4.18Å; F397-N435 WeakPolarHBondContact CA-O 3.45Å; F397-N435 WeakPolarHBondContact CB-O 3.33Å; W398-N435 WeakPolarHBondContact CB-OD1 3.18Å; W398-N435 PolarHBondContact N-O 3.1Å; W398-N435 PolarHBondContact N-OD1 3.48Å; W398-N435 PolarHBondContact O-ND2 2.89Å
436	F	95.4	Very high	86.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.1	-165.7	-58.5	-75.4	0	0	0	112.9	I296 V356 I357 V372 F374 A396 F397 C430 H432 T434	I296-F436 HydrophobicContact CD1-CD2 3.81Å; I296-F436 HydrophobicContact CD1-CE2 4.12Å; V356-F436 CarbonylContact C-O 3.59Å; V356-F436 WeakPolarHBondContact CA-O 3.5Å; I357-F436 HydrophobicContact CG2-CB 4.22Å; I357-F436 PolarHBondContact N-O 3.3Å; I357-F436 PolarHBondContact O-N 3.18Å; V372-F436 HydrophobicContact CG2-CD2 4.46Å; V372-F436 HydrophobicContact CG2-CE2 3.77Å; V372-F436 HydrophobicContact CG2-CZ 3.82Å; F374-F436 HydrophobicContact CD1-CB 4Å; F374-F436 HydrophobicContact CD1-CD1 4.45Å; F374-F436 HydrophobicContact CD1-CD2 4.25Å; F374-F436 AromaticContact CD1-CG 3.98Å; F374-F436 HydrophobicContact CD1-CG 3.98Å; F374-F436 HydrophobicContact CE1-CB 3.47Å; F374-F436 VanDerWaalsContact CE1-CB 3.47Å; F374-F436 AromaticContact CE1-CD1 3.6Å; F374-F436 HydrophobicContact CE1-CD1 3.6Å; F374-F436 HydrophobicContact CE1-CD2 4.16Å; F374-F436 HydrophobicContact CE1-CE1 4.39Å; F374-F436 AromaticContact CE1-CG 3.46Å; F374-F436 HydrophobicContact CE1-CG 3.46Å; F374-F436 VanDerWaalsContact CE1-CG 3.46Å; F374-F436 HydrophobicContact CE2-CB 4.18Å; F374-F436 HydrophobicContact CZ-CB 3.57Å; F374-F436 HydrophobicContact CZ-CD1 4.15Å; F374-F436 HydrophobicContact CZ-CG 4.04Å; A396-F436 WeakPolarHBondContact O-CA 3.38Å; F397-F436 HydrophobicContact CB-CD1 3.84Å; F397-F436 HydrophobicContact CB-CE1 3.99Å; C430-F436 HydrophobicContact CB-CD1 4.3Å; C430-F436 HydrophobicContact CB-CE1 3.58Å; C430-F436 HydrophobicContact CB-CZ 4.08Å; C430-F436 VanDerWaalsContact SG-CD1 3.6Å; C430-F436 WeakPolarHBondContact SG-CE1 3.46Å; H432-F436 AromaticContact CE1-CE1 3.6Å; H432-F436 AromaticContact ND1-CE1 3.77Å; H432-F436 AromaticContact ND1-CZ 3.73Å; H432-F436 VanDerWaalsContact O-CZ 3.3Å; H432-F436 WeakPolarHBondContact O-CZ 3.5Å; T434-F436 WeakPolarHBondContact O-CE2 3.31Å; T434-F436 WeakPolarHBondContact OG1-CE1 3.18Å; T434-F436 VanDerWaalsContact OG1-CZ 3.3Å; T434-F436 WeakPolarHBondContact OG1-CZ 3.34Å
437	A	94.1	Very high	84.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.3	172	0	0	0	0	0	111.8	L352 V356 A396 W411	L352-A437 HydrophobicContact CD1-CB 3.54Å; V356-A437 HydrophobicContact CG2-CB 4.44Å; A396-A437 PolarHBondContact N-O 2.78Å; A396-A437 PolarHBondContact O-N 2.95Å; W411-A437 HydrophobicContact CH2-CB 3.67Å; W411-A437 HydrophobicContact CZ3-CB 3.72Å
438	V	93.1	Very high	82.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.6	161.7	176.8	0	0	0	0	107.7	G353 S354 F374 L376 P393 V394 T426	G353-V438 VanDerWaalsContact CA-O 3.3Å; G353-V438 WeakPolarHBondContact CA-O 3.38Å; G353-V438 PolarHBondContact N-O 3.41Å; S354-V438 PolarHBondContact N-O 2.96Å; S354-V438 VanDerWaalsContact N-O 3.13Å; S354-V438 PolarHBondContact OG-N 3.24Å; F374-V438 HydrophobicContact CE2-CG2 4.29Å; L376-V438 HydrophobicContact CB-CG2 3.97Å; L376-V438 HydrophobicContact CD1-CG2 4.34Å; P393-V438 HydrophobicContact CB-CG1 3.63Å; V394-V438 CarbonylContact O-C 3.51Å; V394-V438 WeakPolarHBondContact O-CA 3.42Å; T426-V438 HydrophobicContact CG2-CG1 4.34Å; T426-V438 HydrophobicContact CG2-CG2 4.01Å
439	L	91.4	Very high	80.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	153.3	167.9	-56.2	-178.8	0	0	0	109.5	I334 M336 T350 V351 L352 P393 V394 A396 W411	I334-L439 HydrophobicContact CD1-CD1 4.4Å; I334-L439 HydrophobicContact CD1-CD2 3.88Å; M336-L439 HydrophobicContact SD-CD1 4.28Å; T350-L439 HydrophobicContact CG2-CB 3.61Å; T350-L439 HydrophobicContact CG2-CD1 3.87Å; T350-L439 HydrophobicContact CG2-CG 4.29Å; V351-L439 CarbonylContact O-C 3.59Å; V351-L439 WeakPolarHBondContact O-CA 3.5Å; L352-L439 HydrophobicContact CB-CD2 4.36Å; L352-L439 HydrophobicContact CD1-CD2 3.89Å; P393-L439 CarbonylContact C-O 3.49Å; P393-L439 WeakPolarHBondContact CA-O 3.09Å; V394-L439 PolarHBondContact N-O 2.96Å; V394-L439 PolarHBondContact O-N 2.88Å; A396-L439 HydrophobicContact CB-CD1 3.77Å; A396-L439 HydrophobicContact CB-CG 3.95Å; W411-L439 HydrophobicContact CB-CD1 3.96Å; W411-L439 HydrophobicContact CD2-CD1 4.34Å; W411-L439 HydrophobicContact CD2-CD2 4.09Å; W411-L439 HydrophobicContact CG-CD1 4Å; W411-L439 HydrophobicContact CG-CD2 4.36Å
440	L	88.6	Confident	78.6	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.7	172.4	-66.3	172.5	0	0	0	109.1	T350 V351 H378 Y391 P393	T350-L440 WeakPolarHBondContact CA-O 3.45Å; V351-L440 HydrophobicContact CG2-CB 4.16Å; V351-L440 PolarHBondContact N-O 2.98Å; V351-L440 PolarHBondContact O-N 3.32Å; H378-L440 HydrophobicContact CB-CD1 4.41Å; Y391-L440 HydrophobicContact CD1-CB 4.36Å; P393-L440 HydrophobicContact CB-CD2 4.07Å
441	Q	87.1	Confident	76.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123	169.3	-56.7	-155.3	-59.2	0	0	108.7	E337 T339 Y347 T350 Y391 D392 V394 Y443	E337-Q441 PolarHBondContact O-NE2 3.31Å; T339-Q441 VanDerWaalsContact CB-OE1 3.28Å; T339-Q441 PolarHBondContact OG1-OE1 3.37Å; Y347-Q441 HydrophobicContact CE2-CB 4.18Å; Y347-Q441 HydrophobicContact CE2-CG 4.43Å; T350-Q441 HydrophobicContact CG2-CG 4.3Å; T350-Q441 WeakPolarHBondContact OG1-CG 3.43Å; T350-Q441 PolarHBondContact OG1-NE2 3.5Å; Y391-Q441 WeakPolarHBondContact CA-O 3.17Å; D392-Q441 PolarHBondContact N-O 2.98Å; D392-Q441 PolarHBondContact O-N 2.88Å; V394-Q441 HydrophobicContact CG2-CG 3.78Å; Q441-Y443 HydrophobicContact CB-CD2 4.26Å; Q441-Y443 HydrophobicContact CB-CE2 3.59Å; Q441-Y443 PolarHBondContact OE1-OH 2.85Å
442	V	82.9	Confident	75.4	Confident	18 Å²	18	38.1 Å²	38.1	11%	0.109	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.3	-177.4	-167.5	0	0	0	0	108.9	L348 G349 V351 Y391	L348-V442 HydrophobicContact CB-CB 4.34Å; L348-V442 HydrophobicContact CB-CG1 4.4Å; L348-V442 HydrophobicContact CD1-CG1 4.14Å; L348-V442 PolarHBondContact N-O 3.24Å; G349-V442 PolarHBondContact O-N 3.05Å; V351-V442 HydrophobicContact CG2-CG2 4.2Å; Y391-V442 HydrophobicContact CD1-CB 4.5Å; Y391-V442 HydrophobicContact CD1-CG1 4.34Å; Y391-V442 HydrophobicContact CD1-CG2 4Å; Y391-V442 HydrophobicContact CE1-CB 4.35Å; Y391-V442 HydrophobicContact CE1-CG1 3.85Å; Y391-V442 HydrophobicContact CE1-CG2 3.82Å
443	Y	77.1	Confident	74.1	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.9	178.8	-70.9	-81.5	0	0	0	110.2	P338 T339 I340 Q345 R346 Y347 S389 V390 D392 Q441	P338-Y443 WeakPolarHBondContact CA-OH 3.27Å; P338-Y443 HydrophobicContact CB-CE1 4.33Å; P338-Y443 WeakPolarHBondContact CB-OH 3.35Å; T339-Y443 PolarHBondContact N-OH 3.11Å; I340-Y443 HydrophobicContact CB-CE1 3.97Å; I340-Y443 HydrophobicContact CD1-CD2 4.46Å; I340-Y443 HydrophobicContact CD1-CE2 4.18Å; I340-Y443 HydrophobicContact CG1-CE2 4.38Å; I340-Y443 PolarHBondContact N-OH 3.16Å; Q345-Y443 HydrophobicContact CB-CD1 3.95Å; Q345-Y443 HydrophobicContact CB-CG 4.42Å; R346-Y443 WeakPolarHBondContact O-CA 3.47Å; Y347-Y443 HydrophobicContact CD2-CE1 4.06Å; S389-Y443 WeakPolarHBondContact CA-O 3.46Å; V390-Y443 PolarHBondContact N-O 2.97Å; V390-Y443 PolarHBondContact O-N 2.93Å; D392-Y443 HydrophobicContact CB-CD2 4.35Å; D392-Y443 HydrophobicContact CB-CE2 4.02Å; Q441-Y443 HydrophobicContact CB-CD2 4.26Å; Q441-Y443 HydrophobicContact CB-CE2 3.59Å; Q441-Y443 PolarHBondContact OE1-OH 2.85Å
444	E	67.3	Low	73.1	Confident	87 Å²	87	44.7 Å²	44.7	41%	0.407	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.6	164.8	-171.5	174.4	-138.4	0	0	108.6	Q345 R346 L348 Q446	Q345-E444 WeakPolarHBondContact CA-O 3.48Å; R346-E444 HydrophobicContact CB-CB 4.24Å; R346-E444 WeakPolarHBondContact CD-OE2 3.49Å; R346-E444 PolarHBondContact N-O 3.17Å; R346-E444 IonicContact NE-OE2 3.36Å; R346-E444 PolarHBondContact O-N 3.01Å; L348-E444 HydrophobicContact CD1-CB 4.01Å; L348-E444 HydrophobicContact CD2-CB 4.12Å; L348-E444 HydrophobicContact CG-CB 3.99Å; E444-Q446 PolarHBondContact O-N 2.94Å
445	T	58.2	Low	72.2	Confident	48 Å²	48	45 Å²	45	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	113.1	176.5	-53.3	0	0	0	0	108.2	D388 V390 T447	D388-T445 WeakPolarHBondContact O-CB 3.44Å; D388-T445 PolarHBondContact O-N 2.93Å; D388-T445 PolarHBondContact O-OG1 2.91Å; V390-T445 WeakPolarHBondContact CG2-OG1 3.29Å; T445-T447 PolarHBondContact O-N 3.14Å
446	Q	47.4	Very low	71.3	Confident	83 Å²	83	48.7 Å²	48.7	39%	0.388	26%	0.255	S	S	.	.			trans	-75.5	76.3	179.6	-73.4	-164.9	74	0	0	111.8	G343 R346 E444 S448	G343-Q446 PolarHBondContact O-NE2 3.06Å; R346-Q446 HydrophobicContact CB-CG 4.13Å; E444-Q446 PolarHBondContact O-N 2.94Å; Q446-S448 PolarHBondContact O-N 3.42Å
447	T	49.8	Very low	70.6	Confident	87 Å²	87	52.8 Å²	52.8	53%	0.534	28%	0.28	S	S	.	.			trans	-66.5	67.4	141.7	-47.3	0	0	0	0	107	T445	T445-T447 PolarHBondContact O-N 3.14Å
448	S	49.2	Very low	70	Confident	12 Å²	12	55.5 Å²	55.5	8%	0.084	29%	0.294	C	S	.	.			trans	-48.2	135.9	-158	163.3	0	0	0	0	112.5	Q446 E450 N451 E452	Q446-S448 PolarHBondContact O-N 3.42Å; S448-E450 PolarHBondContact O-N 3Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 WeakPolarHBondContact OG-CB 3.49Å; S448-E450 PolarHBondContact OG-N 3.07Å; S448-E450 VanDerWaalsContact OG-N 3.14Å; S448-N451 CarbonylContact O-C 3.51Å; S448-N451 WeakPolarHBondContact O-CA 3.2Å; S448-N451 WeakPolarHBondContact O-CB 3.29Å; S448-N451 PolarHBondContact O-N 2.95Å; S448-E452 PolarHBondContact O-N 2.81Å
449	P	52.4	Low	69.5	Low	80 Å²	80	57.6 Å²	57.6	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-17.1	177.2	26.9	-35.1	0	0	0	112.5	K453	P449-K453 WeakPolarHBondContact O-CB 3.29Å; P449-K453 VanDerWaalsContact O-CG 3.25Å; P449-K453 WeakPolarHBondContact O-CG 3.43Å; P449-K453 PolarHBondContact O-N 3.37Å; P449-K453 VanDerWaalsContact O-N 3.17Å
450	E	54.8	Low	69.1	Low	156 Å²	156	63 Å²	63	73%	0.729	33%	0.331	S	S	*	.	H	α-helix	trans	-73.9	-42.8	167.5	-55.7	-170.1	145.7	0	0	111.4	S448 A454	S448-E450 PolarHBondContact O-N 3Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 WeakPolarHBondContact OG-CB 3.49Å; S448-E450 PolarHBondContact OG-N 3.07Å; S448-E450 VanDerWaalsContact OG-N 3.14Å; E450-A454 WeakPolarHBondContact O-CB 3.42Å; E450-A454 PolarHBondContact O-N 2.95Å
451	N	58	Low	69	Low	68 Å²	68	67.7 Å²	67.7	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-44.5	174.3	-77.1	-27.2	0	0	0	111.1	S448 A454 L455 Y681	S448-N451 CarbonylContact O-C 3.51Å; S448-N451 WeakPolarHBondContact O-CA 3.2Å; S448-N451 WeakPolarHBondContact O-CB 3.29Å; S448-N451 PolarHBondContact O-N 2.95Å; N451-A454 PolarHBondContact O-N 3.18Å; N451-L455 VanDerWaalsContact O-CB 3.26Å; N451-L455 WeakPolarHBondContact O-CB 3.4Å; N451-L455 PolarHBondContact O-N 2.92Å; N451-Y681 PolarHBondContact OD1-OH 2.82Å
452	E	65.1	Low	68.9	Low	71 Å²	71	67.9 Å²	67.9	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-49	178.2	-161.3	-155.1	157.8	0	0	111.3	S448 A454 L455 Q456 H589	S448-E452 PolarHBondContact O-N 2.81Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.94Å; E452-L455 CarbonylContact O-C 3.6Å; E452-L455 WeakPolarHBondContact O-CA 3.38Å; E452-L455 VanDerWaalsContact O-CB 3.29Å; E452-L455 WeakPolarHBondContact O-CB 3.39Å; E452-L455 PolarHBondContact O-N 2.86Å; E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 3.21Å; E452-Q456 PolarHBondContact OE1-NE2 2.9Å; E452-H589 IonicContact OE1-CE1 2.7Å
453	K	66.4	Low	69	Low	132 Å²	132	67.7 Å²	67.7	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-64.9	-36.2	176.9	-72	174.6	-177.8	175.9	0	112.3	P449 L455 Q456 V457	P449-K453 WeakPolarHBondContact O-CB 3.29Å; P449-K453 VanDerWaalsContact O-CG 3.25Å; P449-K453 WeakPolarHBondContact O-CG 3.43Å; P449-K453 PolarHBondContact O-N 3.37Å; P449-K453 VanDerWaalsContact O-N 3.17Å; K453-L455 VanDerWaalsContact C-N 3.32Å; K453-Q456 PolarHBondContact O-N 2.85Å; K453-V457 WeakPolarHBondContact O-CB 3.46Å; K453-V457 VanDerWaalsContact O-CG2 3.28Å; K453-V457 WeakPolarHBondContact O-CG2 3.44Å; K453-V457 PolarHBondContact O-N 2.72Å
454	A	71.2	Confident	69.5	Low	43 Å²	43	68.7 Å²	68.7	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-38.1	171.2	0	0	0	0	0	111.7	E450 N451 E452 L458	E450-A454 WeakPolarHBondContact O-CB 3.42Å; E450-A454 PolarHBondContact O-N 2.95Å; N451-A454 PolarHBondContact O-N 3.18Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.94Å; A454-L458 WeakPolarHBondContact O-CB 3.48Å; A454-L458 PolarHBondContact O-N 3.29Å
455	L	72.6	Confident	70.5	Confident	48 Å²	48	67.8 Å²	67.8	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-43.7	177	-154.5	75.9	0	0	0	111.4	N451 E452 K453 T459 Y681 I684	N451-L455 VanDerWaalsContact O-CB 3.26Å; N451-L455 WeakPolarHBondContact O-CB 3.4Å; N451-L455 PolarHBondContact O-N 2.92Å; E452-L455 CarbonylContact O-C 3.6Å; E452-L455 WeakPolarHBondContact O-CA 3.38Å; E452-L455 VanDerWaalsContact O-CB 3.29Å; E452-L455 WeakPolarHBondContact O-CB 3.39Å; E452-L455 PolarHBondContact O-N 2.86Å; K453-L455 VanDerWaalsContact C-N 3.32Å; L455-T459 VanDerWaalsContact O-CB 3.26Å; L455-T459 WeakPolarHBondContact O-CB 3.21Å; L455-T459 PolarHBondContact O-N 3.29Å; L455-T459 PolarHBondContact O-OG1 2.94Å; L455-Y681 HydrophobicContact CD1-CD1 4.06Å; L455-Y681 HydrophobicContact CD1-CE1 3.95Å; L455-I684 HydrophobicContact CD1-CD1 3.29Å; L455-I684 HydrophobicContact CD2-CD1 4.41Å; L455-I684 HydrophobicContact CG-CD1 3.49Å; L455-I684 VanDerWaalsContact CG-CD1 3.49Å
456	Q	74.8	Confident	72	Confident	84 Å²	84	65.5 Å²	65.5	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-52.4	173.6	-68.9	168.9	2.9	0	0	111	E452 K453 L458 T459 F460	E452-Q456 WeakPolarHBondContact O-CG 3.46Å; E452-Q456 PolarHBondContact O-N 3.21Å; E452-Q456 PolarHBondContact OE1-NE2 2.9Å; K453-Q456 PolarHBondContact O-N 2.85Å; Q456-L458 PolarHBondContact O-N 2.8Å; Q456-T459 PolarHBondContact O-N 3.31Å; Q456-T459 VanDerWaalsContact O-N 3.16Å; Q456-F460 WeakPolarHBondContact O-CB 3.4Å; Q456-F460 PolarHBondContact O-N 2.86Å
457	V	80.6	Confident	74	Confident	86 Å²	86	62.6 Å²	62.6	52%	0.521	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-42.5	178.9	169.6	0	0	0	0	111.8	K453 T459 F460 I461	K453-V457 WeakPolarHBondContact O-CB 3.46Å; K453-V457 VanDerWaalsContact O-CG2 3.28Å; K453-V457 WeakPolarHBondContact O-CG2 3.44Å; K453-V457 PolarHBondContact O-N 2.72Å; V457-T459 VanDerWaalsContact C-N 3.34Å; V457-F460 PolarHBondContact O-N 3.4Å; V457-I461 HydrophobicContact CG1-CD1 3.8Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.48Å; V457-I461 PolarHBondContact O-N 2.89Å
458	L	81.6	Confident	75.9	Confident	58 Å²	58	62.5 Å²	62.5	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-39.2	175.8	-169.3	75.8	0	0	0	111.4	A454 Q456 G462 Y681 I684	A454-L458 WeakPolarHBondContact O-CB 3.48Å; A454-L458 PolarHBondContact O-N 3.29Å; Q456-L458 PolarHBondContact O-N 2.8Å; L458-G462 WeakPolarHBondContact O-CA 3.34Å; L458-G462 PolarHBondContact O-N 3.37Å; L458-Y681 HydrophobicContact CD2-CD1 3.83Å; L458-Y681 HydrophobicContact CD2-CE1 4.36Å; L458-I684 HydrophobicContact CB-CG2 4.25Å; L458-I684 HydrophobicContact CD2-CB 4.09Å; L458-I684 HydrophobicContact CD2-CD1 4.5Å; L458-I684 HydrophobicContact CD2-CG2 3.78Å; L458-I684 HydrophobicContact CG-CG2 3.7Å
459	T	82.1	Confident	77.7	Confident	43 Å²	43	62.3 Å²	62.3	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-43.1	176.6	-59.5	0	0	0	0	111.5	L455 Q456 V457 G462 C463 I684	L455-T459 VanDerWaalsContact O-CB 3.26Å; L455-T459 WeakPolarHBondContact O-CB 3.21Å; L455-T459 PolarHBondContact O-N 3.29Å; L455-T459 PolarHBondContact O-OG1 2.94Å; Q456-T459 PolarHBondContact O-N 3.31Å; Q456-T459 VanDerWaalsContact O-N 3.16Å; V457-T459 VanDerWaalsContact C-N 3.34Å; T459-G462 PolarHBondContact O-N 3.25Å; T459-C463 VanDerWaalsContact O-CB 3.32Å; T459-C463 WeakPolarHBondContact O-CB 3.04Å; T459-C463 PolarHBondContact O-N 2.92Å; T459-C463 PolarHBondContact O-SG 3.4Å; T459-I684 VanDerWaalsContact OG1-CD1 3.3Å; T459-I684 WeakPolarHBondContact OG1-CD1 3.43Å
460	F	84.6	Confident	79.4	Confident	115 Å²	115	58.6 Å²	58.6	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-49.2	177	-178	-90.8	0	0	0	111.9	Q456 V457 G464 M506	Q456-F460 WeakPolarHBondContact O-CB 3.4Å; Q456-F460 PolarHBondContact O-N 2.86Å; V457-F460 PolarHBondContact O-N 3.4Å; F460-G464 PolarHBondContact O-N 3.45Å; F460-M506 HydrophobicContact CD1-CE 4.35Å; F460-M506 HydrophobicContact CD2-CE 3.7Å; F460-M506 HydrophobicContact CE1-CE 4.17Å; F460-M506 HydrophobicContact CE2-CE 3.5Å; F460-M506 HydrophobicContact CG-CE 4.12Å; F460-M506 HydrophobicContact CZ-CE 3.76Å; F460-M506 WeakPolarHBondContact O-CE 3.48Å
461	I	86.1	Confident	80.9	Confident	102 Å²	102	55.5 Å²	55.5	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.5	-66	168.6	0	0	0	110.4	V457 G464 V465	V457-I461 HydrophobicContact CG1-CD1 3.8Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.48Å; V457-I461 PolarHBondContact O-N 2.89Å; I461-G464 PolarHBondContact O-N 3.15Å; I461-V465 WeakPolarHBondContact O-CG2 3.3Å; I461-V465 PolarHBondContact O-N 2.04Å
462	G	84.6	Confident	82.3	Confident	4 Å²	4	57.7 Å²	57.7	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-50.6	-179.3	0	0	0	0	0	113.7	L458 T459 G464 V465 S466 S688	L458-G462 WeakPolarHBondContact O-CA 3.34Å; L458-G462 PolarHBondContact O-N 3.37Å; T459-G462 PolarHBondContact O-N 3.25Å; G462-G464 VanDerWaalsContact C-N 3.32Å; G462-G464 PolarHBondContact O-N 2.85Å; G462-V465 PolarHBondContact O-N 3.16Å; G462-S466 PolarHBondContact O-N 3.08Å; G462-S688 WeakPolarHBondContact CA-OG 3.01Å
463	C	85.8	Confident	83.2	Confident	14 Å²	14	54.3 Å²	54.3	10%	0.095	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-40.7	175.2	-64.8	0	0	0	0	110.8	T459 V465 S466 L467 M506	T459-C463 VanDerWaalsContact O-CB 3.32Å; T459-C463 WeakPolarHBondContact O-CB 3.04Å; T459-C463 PolarHBondContact O-N 2.92Å; T459-C463 PolarHBondContact O-SG 3.4Å; C463-V465 VanDerWaalsContact C-N 3.34Å; C463-V465 PolarHBondContact O-N 3.35Å; C463-S466 PolarHBondContact O-N 3.16Å; C463-L467 WeakPolarHBondContact O-CB 3.47Å; C463-L467 PolarHBondContact O-N 3.5Å; C463-M506 HydrophobicContact CB-CG 3.75Å; C463-M506 HydrophobicContact CB-SD 3.91Å
464	G	87.7	Confident	84.1	Confident	21 Å²	21	51.7 Å²	51.7	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-42.2	174.9	0	0	0	0	0	113.4	F460 I461 G462 C468	F460-G464 PolarHBondContact O-N 3.45Å; I461-G464 PolarHBondContact O-N 3.15Å; G462-G464 VanDerWaalsContact C-N 3.32Å; G462-G464 PolarHBondContact O-N 2.85Å; G464-C468 WeakPolarHBondContact O-CB 3.43Å; G464-C468 PolarHBondContact O-N 3.43Å; G464-C468 VanDerWaalsContact O-N 3.13Å; G464-C468 PolarHBondContact O-SG 2.9Å
465	V	87.4	Confident	84.7	Confident	69 Å²	69	54.4 Å²	54.4	42%	0.418	29%	0.292	S	S	.	.	H	α-helix	trans	-68.9	-44.4	176.2	170.8	0	0	0	0	111.9	I461 G462 C463 C468 G469	I461-V465 WeakPolarHBondContact O-CG2 3.3Å; I461-V465 PolarHBondContact O-N 2.04Å; G462-V465 PolarHBondContact O-N 3.16Å; C463-V465 VanDerWaalsContact C-N 3.34Å; C463-V465 PolarHBondContact O-N 3.35Å; V465-C468 PolarHBondContact O-N 2.92Å; V465-G469 PolarHBondContact O-N 3.16Å
466	S	89.3	Confident	85.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-50.5	177.1	-169.2	0	0	0	0	111.2	G462 C463 C468 G469 L470 E502 G691	G462-S466 PolarHBondContact O-N 3.08Å; C463-S466 PolarHBondContact O-N 3.16Å; S466-C468 VanDerWaalsContact C-N 3.34Å; S466-C468 PolarHBondContact O-N 3.15Å; S466-G469 WeakPolarHBondContact O-CA 3.43Å; S466-G469 PolarHBondContact O-N 3.12Å; S466-L470 PolarHBondContact O-N 3.25Å; S466-E502 WeakPolarHBondContact CB-OE1 3.27Å; S466-E502 WeakPolarHBondContact CB-OE2 3.49Å; S466-E502 VanDerWaalsContact OG-CD 3.25Å; S466-E502 PolarHBondContact OG-OE1 3.04Å; S466-E502 PolarHBondContact OG-OE2 3.33Å; S466-G691 WeakPolarHBondContact OG-CA 3.01Å; S466-G691 PolarHBondContact OG-N 3.42Å
467	L	89.8	Confident	85.4	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-39.9	-179.2	-176.8	60.9	0	0	0	112	C463 G469 L470 L471 G499 E502 L503 M506	C463-L467 WeakPolarHBondContact O-CB 3.47Å; C463-L467 PolarHBondContact O-N 3.5Å; L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 3.19Å; L467-L470 PolarHBondContact O-N 3.46Å; L467-L471 HydrophobicContact CD1-CD1 4.28Å; L467-L471 HydrophobicContact CD1-CG 4.14Å; L467-L471 HydrophobicContact CG-CD1 3.95Å; L467-L471 HydrophobicContact CG-CG 4.28Å; L467-L471 WeakPolarHBondContact O-CB 3.33Å; L467-L471 VanDerWaalsContact O-CG 3.25Å; L467-L471 WeakPolarHBondContact O-CG 3.36Å; L467-L471 PolarHBondContact O-N 3.33Å; L467-G499 WeakPolarHBondContact CD1-O 3.23Å; L467-E502 WeakPolarHBondContact CA-OE2 3.48Å; L467-E502 PolarHBondContact N-OE2 3.03Å; L467-E502 VanDerWaalsContact N-OE2 3.12Å; L467-L503 HydrophobicContact CD2-CB 4.4Å; L467-L503 HydrophobicContact CD2-CD1 4.29Å; L467-M506 HydrophobicContact CD2-SD 4.33Å
468	C	89.8	Confident	85.4	Confident	85 Å²	85	50.4 Å²	50.4	57%	0.574	27%	0.269	S	S	*	.	H	α-helix	trans	-59.1	-40.9	173.3	-74.2	0	0	0	0	112.4	G464 V465 S466 F472	G464-C468 WeakPolarHBondContact O-CB 3.43Å; G464-C468 PolarHBondContact O-N 3.43Å; G464-C468 VanDerWaalsContact O-N 3.13Å; G464-C468 PolarHBondContact O-SG 2.9Å; V465-C468 PolarHBondContact O-N 2.92Å; S466-C468 VanDerWaalsContact C-N 3.34Å; S466-C468 PolarHBondContact O-N 3.15Å; C468-F472 WeakPolarHBondContact O-CB 3.47Å; C468-F472 PolarHBondContact O-N 3.12Å; C468-F472 VanDerWaalsContact O-N 3.1Å
469	G	87.4	Confident	85.1	Confident	7 Å²	7	51.4 Å²	51.4	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-45.4	174.5	0	0	0	0	0	112.8	V465 S466 L467 T473	V465-G469 PolarHBondContact O-N 3.16Å; S466-G469 WeakPolarHBondContact O-CA 3.43Å; S466-G469 PolarHBondContact O-N 3.12Å; L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 3.19Å; G469-T473 WeakPolarHBondContact O-CB 3.41Å; G469-T473 PolarHBondContact O-N 3.33Å; G469-T473 PolarHBondContact O-OG1 2.6Å
470	L	87.5	Confident	84.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-47.1	177.5	-65.9	179.6	0	0	0	112	S466 L467 T473 F474 I495 L498 E502 I694	S466-L470 PolarHBondContact O-N 3.25Å; L467-L470 PolarHBondContact O-N 3.46Å; L470-T473 WeakPolarHBondContact O-CB 3.43Å; L470-T473 PolarHBondContact O-N 3.26Å; L470-F474 WeakPolarHBondContact O-CB 3.16Å; L470-F474 PolarHBondContact O-N 2.96Å; L470-I495 HydrophobicContact CB-CG2 4.21Å; L470-I495 HydrophobicContact CD2-CG1 4.37Å; L470-I495 HydrophobicContact CD2-CG2 4.28Å; L470-L498 HydrophobicContact CD1-CB 4.23Å; L470-L498 HydrophobicContact CD1-CD2 3.87Å; L470-L498 HydrophobicContact CD1-CG 3.81Å; L470-L498 HydrophobicContact CD2-CD2 4.24Å; L470-E502 WeakPolarHBondContact CD1-OE2 3.4Å; L470-I694 HydrophobicContact CD2-CB 4.13Å; L470-I694 HydrophobicContact CD2-CD1 3.98Å; L470-I694 HydrophobicContact CD2-CG2 3.95Å
471	L	87.7	Confident	83.4	Confident	91 Å²	91	47.7 Å²	47.7	48%	0.476	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-47.1	177.9	-73.4	172.2	0	0	0	111.8	L467 T473 F474 I475	L467-L471 HydrophobicContact CD1-CD1 4.28Å; L467-L471 HydrophobicContact CD1-CG 4.14Å; L467-L471 HydrophobicContact CG-CD1 3.95Å; L467-L471 HydrophobicContact CG-CG 4.28Å; L467-L471 WeakPolarHBondContact O-CB 3.33Å; L467-L471 VanDerWaalsContact O-CG 3.25Å; L467-L471 WeakPolarHBondContact O-CG 3.36Å; L467-L471 PolarHBondContact O-N 3.33Å; L471-T473 VanDerWaalsContact C-N 3.31Å; L471-T473 PolarHBondContact O-N 2.81Å; L471-F474 PolarHBondContact O-N 3.38Å; L471-I475 WeakPolarHBondContact O-CB 3.49Å; L471-I475 VanDerWaalsContact O-CG1 3.28Å; L471-I475 WeakPolarHBondContact O-CG1 3.43Å; L471-I475 PolarHBondContact O-N 3.31Å
472	F	86.8	Confident	82.4	Confident	115 Å²	115	43.2 Å²	43.2	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-37.8	177.7	-171.6	-93.4	0	0	0	111.9	C468 L476 F695	C468-F472 WeakPolarHBondContact O-CB 3.47Å; C468-F472 PolarHBondContact O-N 3.12Å; C468-F472 VanDerWaalsContact O-N 3.1Å; F472-L476 HydrophobicContact CE1-CD1 3.97Å; F472-L476 VanDerWaalsContact O-CB 3.25Å; F472-L476 WeakPolarHBondContact O-CB 3.39Å; F472-L476 PolarHBondContact O-N 2.94Å; F472-F695 AromaticContact CD1-CD2 3.86Å; F472-F695 HydrophobicContact CD1-CD2 3.86Å; F472-F695 AromaticContact CD1-CE2 3.36Å; F472-F695 HydrophobicContact CD1-CE2 3.36Å; F472-F695 AromaticContact CD1-CZ 3.77Å; F472-F695 HydrophobicContact CD1-CZ 3.77Å; F472-F695 HydrophobicContact CE1-CD2 4.45Å; F472-F695 AromaticContact CE1-CE2 3.52Å; F472-F695 HydrophobicContact CE1-CE2 3.52Å; F472-F695 AromaticContact CE1-CZ 3.68Å; F472-F695 HydrophobicContact CE1-CZ 3.68Å
473	T	84.6	Confident	81.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-46.2	173.8	-52.4	0	0	0	0	111.7	G469 L470 L471 L476 F477 I495 F695 A699	G469-T473 WeakPolarHBondContact O-CB 3.41Å; G469-T473 PolarHBondContact O-N 3.33Å; G469-T473 PolarHBondContact O-OG1 2.6Å; L470-T473 WeakPolarHBondContact O-CB 3.43Å; L470-T473 PolarHBondContact O-N 3.26Å; L471-T473 VanDerWaalsContact C-N 3.31Å; L471-T473 PolarHBondContact O-N 2.81Å; T473-L476 PolarHBondContact O-N 2.91Å; T473-F477 HydrophobicContact CG2-CE1 4.32Å; T473-F477 HydrophobicContact CG2-CE2 4.42Å; T473-F477 HydrophobicContact CG2-CZ 4.29Å; T473-F477 WeakPolarHBondContact O-CB 3.43Å; T473-F477 WeakPolarHBondContact O-CG 3.49Å; T473-F477 PolarHBondContact O-N 2.99Å; T473-I495 HydrophobicContact CG2-CD1 3.6Å; T473-F695 WeakPolarHBondContact OG1-CA 3.34Å; T473-F695 WeakPolarHBondContact OG1-CB 3.47Å; T473-F695 WeakPolarHBondContact OG1-CD2 3.34Å; T473-A699 HydrophobicContact CG2-CB 4.31Å
474	F	84.1	Confident	80.5	Confident	77 Å²	77	55.5 Å²	55.5	34%	0.338	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-46.5	179.8	-171.6	-99.5	0	0	0	112	L470 L471 L476 F477 I478 I495 A496	L470-F474 WeakPolarHBondContact O-CB 3.16Å; L470-F474 PolarHBondContact O-N 2.96Å; L471-F474 PolarHBondContact O-N 3.38Å; F474-L476 PolarHBondContact O-N 2.74Å; F474-F477 WeakPolarHBondContact O-CB 3.47Å; F474-F477 PolarHBondContact O-N 3.21Å; F474-I478 HydrophobicContact CD1-CD1 3.9Å; F474-I478 HydrophobicContact CE1-CD1 3.51Å; F474-I478 HydrophobicContact CZ-CD1 4.05Å; F474-I478 PolarHBondContact O-N 2.69Å; F474-I478 VanDerWaalsContact O-N 3.15Å; F474-I495 HydrophobicContact CB-CG2 4.15Å; F474-I495 HydrophobicContact CD2-CG2 4.32Å; F474-A496 HydrophobicContact CE2-CB 4.43Å
475	I	84.6	Confident	79.9	Confident	100 Å²	100	56.1 Å²	56.1	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-46.7	174.7	-69.2	165	0	0	0	110.5	L471 F477 I478 A479	L471-I475 WeakPolarHBondContact O-CB 3.49Å; L471-I475 VanDerWaalsContact O-CG1 3.28Å; L471-I475 WeakPolarHBondContact O-CG1 3.43Å; L471-I475 PolarHBondContact O-N 3.31Å; I475-F477 VanDerWaalsContact C-N 3.33Å; I475-F477 PolarHBondContact O-N 3.03Å; I475-I478 PolarHBondContact O-N 2.94Å; I475-I478 VanDerWaalsContact O-N 3.13Å; I475-A479 WeakPolarHBondContact O-CB 3.4Å; I475-A479 PolarHBondContact O-N 3.11Å
476	L	82.1	Confident	79.6	Confident	28 Å²	28	53.9 Å²	53.9	15%	0.147	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-41.4	178.5	-168.8	155.6	0	0	0	111.3	F472 T473 F474 I478 A479 V480 A699 V705	F472-L476 HydrophobicContact CE1-CD1 3.97Å; F472-L476 VanDerWaalsContact O-CB 3.25Å; F472-L476 WeakPolarHBondContact O-CB 3.39Å; F472-L476 PolarHBondContact O-N 2.94Å; T473-L476 PolarHBondContact O-N 2.91Å; F474-L476 PolarHBondContact O-N 2.74Å; L476-I478 PolarHBondContact O-N 3.32Å; L476-A479 PolarHBondContact O-N 3.38Å; L476-V480 HydrophobicContact CD2-CB 4.34Å; L476-V480 HydrophobicContact CD2-CG2 3.74Å; L476-V480 HydrophobicContact CG-CG2 3.85Å; L476-V480 WeakPolarHBondContact O-CB 3.11Å; L476-V480 VanDerWaalsContact O-CG2 3.32Å; L476-V480 WeakPolarHBondContact O-CG2 3.5Å; L476-V480 PolarHBondContact O-N 2.85Å; L476-A699 HydrophobicContact CD1-CB 4.18Å; L476-A699 HydrophobicContact CD2-CB 4.16Å; L476-V705 HydrophobicContact CD2-CG1 3.47Å; L476-V705 VanDerWaalsContact CD2-CG1 3.47Å
477	F	79.9	Confident	79.1	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-16.1	176.2	-85.5	14.9	0	0	0	115	T473 F474 I475 H491 K492 I495 Y698 A699 V705	T473-F477 HydrophobicContact CG2-CE1 4.32Å; T473-F477 HydrophobicContact CG2-CE2 4.42Å; T473-F477 HydrophobicContact CG2-CZ 4.29Å; T473-F477 WeakPolarHBondContact O-CB 3.43Å; T473-F477 WeakPolarHBondContact O-CG 3.49Å; T473-F477 PolarHBondContact O-N 2.99Å; F474-F477 WeakPolarHBondContact O-CB 3.47Å; F474-F477 PolarHBondContact O-N 3.21Å; I475-F477 VanDerWaalsContact C-N 3.33Å; I475-F477 PolarHBondContact O-N 3.03Å; F477-H491 HydrophobicContact CE2-CB 3.98Å; F477-K492 HydrophobicContact CD2-CG 3.92Å; F477-K492 WeakPolarHBondContact O-CE 3.28Å; F477-K492 PolarHBondContact O-NZ 3.45Å; F477-I495 HydrophobicContact CD2-CD1 4.4Å; F477-I495 HydrophobicContact CE2-CD1 4.07Å; F477-Y698 WeakPolarHBondContact CE1-O 3.43Å; F477-Y698 WeakPolarHBondContact CZ-O 3.33Å; F477-A699 HydrophobicContact CE1-CB 4.45Å; F477-V705 HydrophobicContact CD1-CG2 4.46Å; F477-V705 HydrophobicContact CE1-CG2 3.84Å
478	I	79.4	Confident	78.6	Confident	105 Å²	105	54.7 Å²	54.7	54%	0.538	31%	0.308	S	S	.	.	H	α-helix	trans	-92.3	-57.5	169.5	-65.9	170.8	0	0	0	109.5	F474 I475 L476 V480 G481	F474-I478 HydrophobicContact CD1-CD1 3.9Å; F474-I478 HydrophobicContact CE1-CD1 3.51Å; F474-I478 HydrophobicContact CZ-CD1 4.05Å; F474-I478 PolarHBondContact O-N 2.69Å; F474-I478 VanDerWaalsContact O-N 3.15Å; I475-I478 PolarHBondContact O-N 2.94Å; I475-I478 VanDerWaalsContact O-N 3.13Å; L476-I478 PolarHBondContact O-N 3.32Å; I478-V480 VanDerWaalsContact C-N 3.35Å; I478-V480 PolarHBondContact O-N 3.43Å; I478-G481 PolarHBondContact O-N 3.22Å
479	A	75.9	Confident	78.4	Confident	79 Å²	79	52.2 Å²	52.2	65%	0.653	29%	0.29	S	S	*	.	H	α-helix	trans	-65.9	-29	-171.5	0	0	0	0	0	114.7	I475 L476 G481	I475-A479 WeakPolarHBondContact O-CB 3.4Å; I475-A479 PolarHBondContact O-N 3.11Å; L476-A479 PolarHBondContact O-N 3.38Å; A479-G481 VanDerWaalsContact C-N 3.27Å
480	V	68.6	Low	78.4	Confident	22 Å²	22	51.9 Å²	51.9	13%	0.133	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.2	176.3	175.7	0	0	0	0	112	L476 I478 V482 A708 I709 I712	L476-V480 HydrophobicContact CD2-CB 4.34Å; L476-V480 HydrophobicContact CD2-CG2 3.74Å; L476-V480 HydrophobicContact CG-CG2 3.85Å; L476-V480 WeakPolarHBondContact O-CB 3.11Å; L476-V480 VanDerWaalsContact O-CG2 3.32Å; L476-V480 WeakPolarHBondContact O-CG2 3.5Å; L476-V480 PolarHBondContact O-N 2.85Å; I478-V480 VanDerWaalsContact C-N 3.35Å; I478-V480 PolarHBondContact O-N 3.43Å; V480-V482 HydrophobicContact CB-CG2 4.07Å; V480-V482 HydrophobicContact CG1-CG2 3.89Å; V480-V482 PolarHBondContact O-N 3.12Å; V480-A708 HydrophobicContact CG1-CB 3.5Å; V480-I709 HydrophobicContact CG1-CG1 3.87Å; V480-I709 HydrophobicContact CG2-CD1 4.43Å; V480-I709 HydrophobicContact CG2-CG1 3.94Å; V480-I712 HydrophobicContact CB-CD1 4.5Å; V480-I712 HydrophobicContact CG1-CD1 4.12Å; V480-I712 WeakPolarHBondContact O-CD1 3.17Å
481	G	62.6	Low	78.3	Confident	58 Å²	58	51.9 Å²	51.9	60%	0.598	29%	0.287	S	S	*	.			trans	57.7	37.1	178.2	0	0	0	0	0	112.8	I478 A479	I478-G481 PolarHBondContact O-N 3.22Å; A479-G481 VanDerWaalsContact C-N 3.27Å
482	V	64.4	Low	78.2	Confident	8 Å²	8	50.3 Å²	50.3	5%	0.048	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.5	130.2	-176.9	-171.3	0	0	0	0	108.8	V480 K484 T488 V705	V480-V482 HydrophobicContact CB-CG2 4.07Å; V480-V482 HydrophobicContact CG1-CG2 3.89Å; V480-V482 PolarHBondContact O-N 3.12Å; V482-K484 PolarHBondContact O-N 2.93Å; V482-T488 HydrophobicContact CG1-CG2 3.87Å; V482-V705 HydrophobicContact CG2-CG2 4.28Å
483	P	63.6	Low	78.4	Confident	73 Å²	73	45.9 Å²	45.9	47%	0.474	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-51.1	134.6	-178.4	-29	35.6	0	0	0	112.1	S485 T488	P483-S485 PolarHBondContact O-N 2.93Å; P483-S485 VanDerWaalsContact O-N 3.12Å; P483-T488 PolarHBondContact O-OG1 2.78Å
484	K	66.4	Low	78.6	Confident	203 Å²	203	46.2 Å²	46.2	88%	0.883	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-59.4	117.4	175.1	-66.7	-176.4	179.6	-178.3	0	108.3	V482	V482-K484 PolarHBondContact O-N 2.93Å
485	S	76.7	Confident	78.8	Confident	34 Å²	34	42.8 Å²	42.8	24%	0.238	24%	0.244	C	C	.	.			trans	-138.7	156.1	174.2	72.7	0	0	0	0	108.6	P483 R487 T488 T489	P483-S485 PolarHBondContact O-N 2.93Å; P483-S485 VanDerWaalsContact O-N 3.12Å; S485-R487 PolarHBondContact O-N 3.3Å; S485-R487 VanDerWaalsContact O-N 3.12Å; S485-T488 PolarHBondContact N-OG1 3.2Å; S485-T488 VanDerWaalsContact N-OG1 3.1Å; S485-T488 PolarHBondContact O-N 3.09Å; S485-T488 VanDerWaalsContact O-N 3.15Å; S485-T488 PolarHBondContact O-OG1 3.21Å; S485-T488 PolarHBondContact OG-N 3.03Å; S485-T488 PolarHBondContact OG-OG1 3.44Å; S485-T488 VanDerWaalsContact OG-OG1 3.13Å; S485-T489 WeakPolarHBondContact O-CB 3.47Å; S485-T489 PolarHBondContact O-N 3Å; S485-T489 PolarHBondContact O-OG1 2.94Å
486	D	79.6	Confident	79.1	Confident	21 Å²	21	40 Å²	40	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-47.8	-43.7	176.3	-66.1	27.9	0	0	0	111.4	T489 V490 L542 R557 M558	D486-T489 PolarHBondContact O-N 2.83Å; D486-V490 VanDerWaalsContact O-CG2 3.29Å; D486-V490 WeakPolarHBondContact O-CG2 3.47Å; D486-V490 PolarHBondContact O-N 3.27Å; D486-L542 HydrophobicContact CB-CD1 3.78Å; D486-L542 HydrophobicContact CB-CD2 4.25Å; D486-R557 IonicContact OD2-CZ 3.8Å; D486-R557 VanDerWaalsContact OD2-CZ 3.24Å; D486-R557 IonicContact OD2-NE 2.7Å; D486-R557 PolarHBondContact OD2-NE 3.42Å; D486-R557 IonicContact OD2-NH2 2.63Å; D486-R557 PolarHBondContact OD2-NH2 2.81Å; D486-M558 HydrophobicContact CB-CG 4.38Å; D486-M558 HydrophobicContact CB-SD 3.57Å; D486-M558 VanDerWaalsContact CB-SD 3.57Å
487	R	79.5	Confident	79.5	Confident	38 Å²	38	38.7 Å²	38.7	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-50	-178.5	-171.3	179.5	-166.6	135.2	28.6	112.2	S485 T489 V490 H491 E539 L542	S485-R487 PolarHBondContact O-N 3.3Å; S485-R487 VanDerWaalsContact O-N 3.12Å; R487-T489 PolarHBondContact O-N 2.8Å; R487-V490 PolarHBondContact O-N 3.18Å; R487-H491 WeakPolarHBondContact CG-NE2 3.14Å; R487-H491 PolarHBondContact NE-NE2 3.34Å; R487-H491 WeakPolarHBondContact O-CB 3.23Å; R487-H491 PolarHBondContact O-N 3.47Å; R487-E539 IonicContact NH2-OE1 3.99Å; R487-E539 PolarHBondContact NH2-OE1 3.48Å; R487-L542 HydrophobicContact CB-CD2 4.06Å; R487-L542 HydrophobicContact CG-CD2 4.45Å
488	T	79.7	Confident	80	Confident	2 Å²	2	39 Å²	39	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-24.1	-180	57.8	0	0	0	0	111.8	V482 P483 S485 K492	V482-T488 HydrophobicContact CG1-CG2 3.87Å; P483-T488 PolarHBondContact O-OG1 2.78Å; S485-T488 PolarHBondContact N-OG1 3.2Å; S485-T488 VanDerWaalsContact N-OG1 3.1Å; S485-T488 PolarHBondContact O-N 3.09Å; S485-T488 VanDerWaalsContact O-N 3.15Å; S485-T488 PolarHBondContact O-OG1 3.21Å; S485-T488 PolarHBondContact OG-N 3.03Å; S485-T488 PolarHBondContact OG-OG1 3.44Å; S485-T488 VanDerWaalsContact OG-OG1 3.13Å; T488-K492 WeakPolarHBondContact O-CB 3.27Å; T488-K492 WeakPolarHBondContact O-CD 3.41Å; T488-K492 WeakPolarHBondContact O-CG 3.38Å; T488-K492 PolarHBondContact O-N 3.08Å; T488-K492 VanDerWaalsContact O-N 3.16Å
489	T	84.9	Confident	80.5	Confident	32 Å²	32	34.5 Å²	34.5	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-74.5	-47.6	173.7	-53.1	0	0	0	0	111.7	S485 D486 R487 K492 N493 M558 Y562	S485-T489 WeakPolarHBondContact O-CB 3.47Å; S485-T489 PolarHBondContact O-N 3Å; S485-T489 PolarHBondContact O-OG1 2.94Å; D486-T489 PolarHBondContact O-N 2.83Å; R487-T489 PolarHBondContact O-N 2.8Å; T489-K492 PolarHBondContact O-N 3.13Å; T489-N493 PolarHBondContact O-N 3.2Å; T489-N493 VanDerWaalsContact O-N 3.14Å; T489-N493 PolarHBondContact O-ND2 3.14Å; T489-M558 HydrophobicContact CG2-CE 3.69Å; T489-Y562 HydrophobicContact CG2-CE2 4.08Å; T489-Y562 WeakPolarHBondContact CG2-OH 3.29Å
490	V	87.6	Confident	81.2	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-51.7	174.1	168.6	0	0	0	0	110.6	D486 R487 K492 N493 L494 W535 V538 E539 L542	D486-V490 VanDerWaalsContact O-CG2 3.29Å; D486-V490 WeakPolarHBondContact O-CG2 3.47Å; D486-V490 PolarHBondContact O-N 3.27Å; R487-V490 PolarHBondContact O-N 3.18Å; V490-K492 VanDerWaalsContact C-N 3.28Å; V490-K492 PolarHBondContact O-N 3.35Å; V490-N493 PolarHBondContact O-N 2.97Å; V490-N493 VanDerWaalsContact O-N 3.14Å; V490-L494 PolarHBondContact O-N 2.93Å; V490-W535 HydrophobicContact CB-CE3 4.48Å; V490-W535 HydrophobicContact CG1-CE3 4.27Å; V490-W535 HydrophobicContact CG2-CE3 4.34Å; V490-W535 HydrophobicContact CG2-CZ3 4.02Å; V490-V538 HydrophobicContact CG1-CG1 4.12Å; V490-V538 HydrophobicContact CG2-CG1 3.62Å; V490-E539 HydrophobicContact CG1-CB 3.83Å; V490-E539 HydrophobicContact CG1-CG 4.49Å; V490-L542 HydrophobicContact CB-CD2 4.41Å; V490-L542 HydrophobicContact CG2-CD2 4.07Å
491	H	85.1	Confident	82.3	Confident	3 Å²	3	33 Å²	33	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-57.7	-38.2	178	-65.1	-22.1	0	0	0	112.9	F477 R487 L494 I495 E539 Y698	F477-H491 HydrophobicContact CE2-CB 3.98Å; R487-H491 WeakPolarHBondContact CG-NE2 3.14Å; R487-H491 PolarHBondContact NE-NE2 3.34Å; R487-H491 WeakPolarHBondContact O-CB 3.23Å; R487-H491 PolarHBondContact O-N 3.47Å; H491-L494 PolarHBondContact O-N 3.4Å; H491-I495 WeakPolarHBondContact O-CB 3.37Å; H491-I495 WeakPolarHBondContact O-CD1 3.42Å; H491-I495 VanDerWaalsContact O-CG1 3.24Å; H491-I495 WeakPolarHBondContact O-CG1 3.38Å; H491-I495 PolarHBondContact O-N 3.06Å; H491-E539 IonicContact CE1-OE1 2.84Å; H491-E539 PolarHBondContact CE1-OE1 3.29Å; H491-E539 IonicContact CE1-OE2 3.77Å; H491-E539 PolarHBondContact CE1-OE2 2.96Å; H491-E539 IonicContact ND1-OE1 2.74Å; H491-E539 IonicContact ND1-OE2 3.85Å; H491-E539 PolarHBondContact ND1-OE2 3.28Å; H491-Y698 HydrophobicContact CB-CD2 3.91Å; H491-Y698 HydrophobicContact CB-CE2 4.11Å; H491-Y698 AromaticContact CD2-CD2 3.73Å; H491-Y698 AromaticContact CE1-CD2 3.91Å; H491-Y698 AromaticContact CE1-CE2 3.49Å; H491-Y698 VanDerWaalsContact CE1-CE2 3.49Å; H491-Y698 WeakPolarHBondContact CE1-CE2 3.39Å; H491-Y698 AromaticContact CE1-CZ 3.65Å; H491-Y698 AromaticContact CG-CD2 3.6Å; H491-Y698 AromaticContact CG-CE2 3.62Å; H491-Y698 AromaticContact ND1-CD2 3.76Å; H491-Y698 AromaticContact ND1-CE2 3.27Å; H491-Y698 VanDerWaalsContact ND1-CE2 3.27Å; H491-Y698 WeakPolarHBondContact ND1-CE2 3.44Å; H491-Y698 AromaticContact ND1-CZ 3.85Å; H491-Y698 AromaticContact NE2-CD2 3.97Å
492	K	86.1	Confident	83.5	Confident	58 Å²	58	30.5 Å²	30.5	25%	0.252	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-41.9	176.7	-83.4	171.8	176.1	-179.1	0	112.7	F477 T488 T489 V490 A496	F477-K492 HydrophobicContact CD2-CG 3.92Å; F477-K492 WeakPolarHBondContact O-CE 3.28Å; F477-K492 PolarHBondContact O-NZ 3.45Å; T488-K492 WeakPolarHBondContact O-CB 3.27Å; T488-K492 WeakPolarHBondContact O-CD 3.41Å; T488-K492 WeakPolarHBondContact O-CG 3.38Å; T488-K492 PolarHBondContact O-N 3.08Å; T488-K492 VanDerWaalsContact O-N 3.16Å; T489-K492 PolarHBondContact O-N 3.13Å; V490-K492 VanDerWaalsContact C-N 3.28Å; V490-K492 PolarHBondContact O-N 3.35Å; K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.45Å; K492-A496 PolarHBondContact O-N 3.17Å; K492-A496 VanDerWaalsContact O-N 3.09Å
493	N	90.3	Very high	84.8	Confident	21 Å²	21	34 Å²	34	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-41.8	177	-71.4	-94.2	0	0	0	111.1	T489 V490 A496 A497 W535 Y562 W566	T489-N493 PolarHBondContact O-N 3.2Å; T489-N493 VanDerWaalsContact O-N 3.14Å; T489-N493 PolarHBondContact O-ND2 3.14Å; V490-N493 PolarHBondContact O-N 2.97Å; V490-N493 VanDerWaalsContact O-N 3.14Å; N493-A496 PolarHBondContact O-N 3.45Å; N493-A497 WeakPolarHBondContact O-CB 3.09Å; N493-A497 PolarHBondContact O-N 3.26Å; N493-W535 HydrophobicContact CB-CD2 3.47Å; N493-W535 VanDerWaalsContact CB-CD2 3.47Å; N493-W535 HydrophobicContact CB-CE3 3.89Å; N493-W535 HydrophobicContact CB-CG 3.94Å; N493-W535 HydrophobicContact CB-CH2 4.07Å; N493-W535 HydrophobicContact CB-CZ2 3.67Å; N493-W535 HydrophobicContact CB-CZ3 4.17Å; N493-W535 VanDerWaalsContact CG-CZ2 3.45Å; N493-W535 WeakPolarHBondContact OD1-CZ2 3.27Å; N493-Y562 PolarHBondContact ND2-OH 2.9Å; N493-W566 PolarHBondContact OD1-NE1 3.34Å
494	L	88.6	Confident	86	Confident	7 Å²	7	31.5 Å²	31.5	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-47.5	177.5	-179.4	58.1	0	0	0	112.2	V490 H491 A496 A497 L498 S532 W535 M536 V662	V490-L494 PolarHBondContact O-N 2.93Å; H491-L494 PolarHBondContact O-N 3.4Å; L494-A496 VanDerWaalsContact C-N 3.34Å; L494-A496 PolarHBondContact O-N 3.47Å; L494-A497 PolarHBondContact O-N 3.49Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 PolarHBondContact O-N 2.94Å; L494-S532 VanDerWaalsContact CD1-O 3.25Å; L494-S532 WeakPolarHBondContact CD1-O 3.45Å; L494-W535 HydrophobicContact CB-CB 4.14Å; L494-W535 HydrophobicContact CD1-CB 4.15Å; L494-M536 HydrophobicContact CD1-CB 4.17Å; L494-V662 HydrophobicContact CD2-CG1 4.35Å
495	I	88.9	Confident	87	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-40.9	176.4	-70.9	164.7	0	0	0	111.2	L470 T473 F474 F477 H491 G499 I694 Y698	L470-I495 HydrophobicContact CB-CG2 4.21Å; L470-I495 HydrophobicContact CD2-CG1 4.37Å; L470-I495 HydrophobicContact CD2-CG2 4.28Å; T473-I495 HydrophobicContact CG2-CD1 3.6Å; F474-I495 HydrophobicContact CB-CG2 4.15Å; F474-I495 HydrophobicContact CD2-CG2 4.32Å; F477-I495 HydrophobicContact CD2-CD1 4.4Å; F477-I495 HydrophobicContact CE2-CD1 4.07Å; H491-I495 WeakPolarHBondContact O-CB 3.37Å; H491-I495 WeakPolarHBondContact O-CD1 3.42Å; H491-I495 VanDerWaalsContact O-CG1 3.24Å; H491-I495 WeakPolarHBondContact O-CG1 3.38Å; H491-I495 PolarHBondContact O-N 3.06Å; I495-G499 PolarHBondContact O-N 3.09Å; I495-I694 HydrophobicContact CD1-CG2 4.06Å; I495-I694 HydrophobicContact CG1-CG2 3.91Å; I495-Y698 HydrophobicContact CD1-CD2 4.33Å
496	A	90.5	Very high	87.4	Confident	42 Å²	42	24.3 Å²	24.3	35%	0.347	13%	0.131	S	C	.	.	H	α-helix	trans	-68.1	-41.7	179	0	0	0	0	0	112.6	F474 K492 N493 L494 L500	F474-A496 HydrophobicContact CE2-CB 4.43Å; K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.45Å; K492-A496 PolarHBondContact O-N 3.17Å; K492-A496 VanDerWaalsContact O-N 3.09Å; N493-A496 PolarHBondContact O-N 3.45Å; L494-A496 VanDerWaalsContact C-N 3.34Å; L494-A496 PolarHBondContact O-N 3.47Å; A496-L500 VanDerWaalsContact O-CB 3.25Å; A496-L500 WeakPolarHBondContact O-CB 3.48Å; A496-L500 PolarHBondContact O-N 3.34Å; A496-L500 VanDerWaalsContact O-N 3.1Å
497	A	91.8	Very high	87.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-47.6	176.1	0	0	0	0	0	111.6	N493 L494 L500 A501 A531 W566	N493-A497 WeakPolarHBondContact O-CB 3.09Å; N493-A497 PolarHBondContact O-N 3.26Å; L494-A497 PolarHBondContact O-N 3.49Å; A497-L500 PolarHBondContact O-N 2.83Å; A497-A501 WeakPolarHBondContact O-CB 3.25Å; A497-A501 PolarHBondContact O-N 2.96Å; A497-A531 HydrophobicContact CB-CB 4.22Å; A497-W566 HydrophobicContact CB-CH2 3.92Å
498	L	89.3	Confident	87.9	Confident	9 Å²	9	25 Å²	25	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-47.4	179.2	-177.2	63.9	0	0	0	112	L470 L494 L500 A501 E502 F529 I694	L470-L498 HydrophobicContact CD1-CB 4.23Å; L470-L498 HydrophobicContact CD1-CD2 3.87Å; L470-L498 HydrophobicContact CD1-CG 3.81Å; L470-L498 HydrophobicContact CD2-CD2 4.24Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 PolarHBondContact O-N 2.94Å; L498-L500 VanDerWaalsContact C-N 3.29Å; L498-L500 PolarHBondContact O-N 2.86Å; L498-A501 WeakPolarHBondContact O-CB 3.4Å; L498-A501 PolarHBondContact O-N 3.48Å; L498-A501 VanDerWaalsContact O-N 3.17Å; L498-E502 WeakPolarHBondContact O-CG 3.15Å; L498-E502 PolarHBondContact O-N 3.27Å; L498-F529 HydrophobicContact CD1-CE1 4.4Å; L498-I694 HydrophobicContact CD2-CD1 3.7Å
499	G	89.6	Confident	87.9	Confident	10 Å²	10	29.2 Å²	29.2	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-30.3	-179.8	0	0	0	0	0	113.6	L467 I495 L503	L467-G499 WeakPolarHBondContact CD1-O 3.23Å; I495-G499 PolarHBondContact O-N 3.09Å; G499-L503 VanDerWaalsContact O-CB 3.29Å; G499-L503 WeakPolarHBondContact O-CB 3.42Å; G499-L503 PolarHBondContact O-N 3.17Å
500	L	92.3	Very high	87.8	Confident	68 Å²	68	38.2 Å²	38.2	36%	0.356	20%	0.196	S	C	.	.	H	α-helix	trans	-77.1	-31.7	173.8	-172.2	50.2	0	0	0	112.2	A496 A497 L498 L503 L504 F528	A496-L500 VanDerWaalsContact O-CB 3.25Å; A496-L500 WeakPolarHBondContact O-CB 3.48Å; A496-L500 PolarHBondContact O-N 3.34Å; A496-L500 VanDerWaalsContact O-N 3.1Å; A497-L500 PolarHBondContact O-N 2.83Å; L498-L500 VanDerWaalsContact C-N 3.29Å; L498-L500 PolarHBondContact O-N 2.86Å; L500-L503 HydrophobicContact CD1-CD2 4.22Å; L500-L504 HydrophobicContact CD1-CD1 4.49Å; L500-L504 HydrophobicContact CG-CD1 4.37Å; L500-L504 WeakPolarHBondContact O-CB 3.33Å; L500-L504 WeakPolarHBondContact O-CD1 3.29Å; L500-L504 VanDerWaalsContact O-CG 3.27Å; L500-L504 WeakPolarHBondContact O-CG 3.44Å; L500-L504 PolarHBondContact O-N 3.22Å; L500-F528 HydrophobicContact CB-CG 4.45Å; L500-F528 HydrophobicContact CD2-CD1 4.13Å; L500-F528 HydrophobicContact CD2-CD2 4.15Å; L500-F528 HydrophobicContact CD2-CE1 3.63Å; L500-F528 HydrophobicContact CD2-CE2 3.63Å; L500-F528 HydrophobicContact CD2-CG 4.39Å; L500-F528 HydrophobicContact CD2-CZ 3.36Å; L500-F528 HydrophobicContact CG-CD1 4.41Å; L500-F528 HydrophobicContact CG-CD2 3.94Å; L500-F528 HydrophobicContact CG-CE1 4.35Å; L500-F528 HydrophobicContact CG-CE2 3.84Å; L500-F528 HydrophobicContact CG-CG 4.24Å; L500-F528 HydrophobicContact CG-CZ 4.08Å
501	A	90.1	Very high	87.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-45.8	170.2	0	0	0	0	0	112	A497 L498 L503 L504 L505 L525 F528 F529	A497-A501 WeakPolarHBondContact O-CB 3.25Å; A497-A501 PolarHBondContact O-N 2.96Å; L498-A501 WeakPolarHBondContact O-CB 3.4Å; L498-A501 PolarHBondContact O-N 3.48Å; L498-A501 VanDerWaalsContact O-N 3.17Å; A501-L503 PolarHBondContact O-N 3.01Å; A501-L504 PolarHBondContact O-N 2.95Å; A501-L505 PolarHBondContact O-N 2.84Å; A501-L525 WeakPolarHBondContact O-CD2 3.5Å; A501-F528 HydrophobicContact CB-CB 3.85Å; A501-F529 HydrophobicContact CB-CD1 3.83Å; A501-F529 HydrophobicContact CB-CD2 4.1Å; A501-F529 HydrophobicContact CB-CE1 3.62Å; A501-F529 HydrophobicContact CB-CE2 3.93Å; A501-F529 HydrophobicContact CB-CG 4.05Å; A501-F529 HydrophobicContact CB-CZ 3.67Å
502	E	89.2	Confident	87.2	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-42.2	174.6	-72.3	178.7	-177.8	0	0	111.9	S466 L467 L470 L498 L504 L505 M506	S466-E502 WeakPolarHBondContact CB-OE1 3.27Å; S466-E502 WeakPolarHBondContact CB-OE2 3.49Å; S466-E502 VanDerWaalsContact OG-CD 3.25Å; S466-E502 PolarHBondContact OG-OE1 3.04Å; S466-E502 PolarHBondContact OG-OE2 3.33Å; L467-E502 WeakPolarHBondContact CA-OE2 3.48Å; L467-E502 PolarHBondContact N-OE2 3.03Å; L467-E502 VanDerWaalsContact N-OE2 3.12Å; L470-E502 WeakPolarHBondContact CD1-OE2 3.4Å; L498-E502 WeakPolarHBondContact O-CG 3.15Å; L498-E502 PolarHBondContact O-N 3.27Å; E502-L504 PolarHBondContact O-N 3.37Å; E502-L505 PolarHBondContact O-N 3.45Å; E502-M506 PolarHBondContact O-N 3.02Å; E502-M506 VanDerWaalsContact O-N 3.07Å
503	L	90.3	Very high	86.9	Confident	80 Å²	80	46.2 Å²	46.2	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-42.2	174.8	179.3	62.5	0	0	0	112.1	L467 G499 L500 A501 L505 M506 C507	L467-L503 HydrophobicContact CD2-CB 4.4Å; L467-L503 HydrophobicContact CD2-CD1 4.29Å; G499-L503 VanDerWaalsContact O-CB 3.29Å; G499-L503 WeakPolarHBondContact O-CB 3.42Å; G499-L503 PolarHBondContact O-N 3.17Å; L500-L503 HydrophobicContact CD1-CD2 4.22Å; A501-L503 PolarHBondContact O-N 3.01Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.17Å; L503-M506 PolarHBondContact O-N 3.04Å; L503-C507 PolarHBondContact O-N 2.97Å; L503-C507 VanDerWaalsContact O-N 3.12Å; L503-C507 PolarHBondContact O-SG 2.97Å; L503-C507 VanDerWaalsContact O-SG 3.39Å
504	L	90.6	Very high	86.6	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-29.1	177.4	-75.7	164.3	0	0	0	112.9	L500 A501 E502 C507 S508 V521 L524 L525 F528	L500-L504 HydrophobicContact CD1-CD1 4.49Å; L500-L504 HydrophobicContact CG-CD1 4.37Å; L500-L504 WeakPolarHBondContact O-CB 3.33Å; L500-L504 WeakPolarHBondContact O-CD1 3.29Å; L500-L504 VanDerWaalsContact O-CG 3.27Å; L500-L504 WeakPolarHBondContact O-CG 3.44Å; L500-L504 PolarHBondContact O-N 3.22Å; A501-L504 PolarHBondContact O-N 2.95Å; E502-L504 PolarHBondContact O-N 3.37Å; L504-C507 CarbonylContact O-C 3.58Å; L504-C507 PolarHBondContact O-N 3.28Å; L504-S508 PolarHBondContact O-N 2.84Å; L504-S508 VanDerWaalsContact O-N 3.08Å; L504-V521 HydrophobicContact CD2-CG2 4.42Å; L504-L524 HydrophobicContact CD1-CB 3.63Å; L504-L524 HydrophobicContact CD2-CD1 4.38Å; L504-L525 HydrophobicContact CB-CD2 3.56Å; L504-L525 HydrophobicContact CB-CG 3.94Å; L504-F528 HydrophobicContact CD1-CD2 3.53Å; L504-F528 HydrophobicContact CD1-CE2 3.94Å
505	L	86.4	Confident	86.2	Confident	48 Å²	48	54.8 Å²	54.8	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-66.4	-44.8	169.5	-75	-177.9	0	0	0	110.6	A501 E502 L503 C507 S508 L525 F529 W591	A501-L505 PolarHBondContact O-N 2.84Å; E502-L505 PolarHBondContact O-N 3.45Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.17Å; L505-C507 PolarHBondContact O-N 3.49Å; L505-C507 VanDerWaalsContact O-N 3.1Å; L505-S508 PolarHBondContact O-N 3.06Å; L505-S508 PolarHBondContact O-OG 2.86Å; L505-L525 HydrophobicContact CD2-CD1 4.02Å; L505-L525 HydrophobicContact CD2-CD2 3.69Å; L505-L525 HydrophobicContact CG-CD2 3.76Å; L505-F529 HydrophobicContact CD1-CE2 4.03Å; L505-F529 HydrophobicContact CD1-CZ 3.69Å; L505-F529 HydrophobicContact CD2-CE2 4.33Å; L505-F529 HydrophobicContact CG-CE2 4.1Å; L505-F529 HydrophobicContact CG-CZ 4.16Å; L505-W591 HydrophobicContact CD2-CZ3 4.32Å
506	M	85.9	Confident	86	Confident	38 Å²	38	57.5 Å²	57.5	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-15.3	175.2	-63.3	-173.1	76	0	0	113.5	F460 C463 L467 E502 L503	F460-M506 HydrophobicContact CD1-CE 4.35Å; F460-M506 HydrophobicContact CD2-CE 3.7Å; F460-M506 HydrophobicContact CE1-CE 4.17Å; F460-M506 HydrophobicContact CE2-CE 3.5Å; F460-M506 HydrophobicContact CG-CE 4.12Å; F460-M506 HydrophobicContact CZ-CE 3.76Å; F460-M506 WeakPolarHBondContact O-CE 3.48Å; C463-M506 HydrophobicContact CB-CG 3.75Å; C463-M506 HydrophobicContact CB-SD 3.91Å; L467-M506 HydrophobicContact CD2-SD 4.33Å; E502-M506 PolarHBondContact O-N 3.02Å; E502-M506 VanDerWaalsContact O-N 3.07Å; L503-M506 PolarHBondContact O-N 3.04Å
507	C	85.8	Confident	85.8	Confident	54 Å²	54	57 Å²	57	37%	0.365	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.9	173.1	-64.9	0	0	0	0	114.3	L503 L504 L505 D509 A511	L503-C507 PolarHBondContact O-N 2.97Å; L503-C507 VanDerWaalsContact O-N 3.12Å; L503-C507 PolarHBondContact O-SG 2.97Å; L503-C507 VanDerWaalsContact O-SG 3.39Å; L504-C507 CarbonylContact O-C 3.58Å; L504-C507 PolarHBondContact O-N 3.28Å; L505-C507 PolarHBondContact O-N 3.49Å; L505-C507 VanDerWaalsContact O-N 3.1Å; C507-D509 PolarHBondContact O-N 3.48Å; C507-A511 WeakPolarHBondContact O-CB 3.46Å; C507-A511 PolarHBondContact O-N 3.25Å
508	S	83.8	Confident	85.5	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-176.2	58.5	0	0	0	0	112.7	L504 L505 A511 A512	L504-S508 PolarHBondContact O-N 2.84Å; L504-S508 VanDerWaalsContact O-N 3.08Å; L505-S508 PolarHBondContact O-N 3.06Å; L505-S508 PolarHBondContact O-OG 2.86Å; S508-A511 WeakPolarHBondContact O-CB 3.35Å; S508-A511 PolarHBondContact O-N 3.42Å; S508-A511 VanDerWaalsContact O-N 3.09Å; S508-A512 PolarHBondContact O-N 3.12Å; S508-A512 VanDerWaalsContact O-N 3.15Å
509	D	79.9	Confident	85.4	Confident	91 Å²	91	60.9 Å²	60.9	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-70.2	-44.6	-174.5	-49.1	-17.1	0	0	0	110	C507 A511 A512	C507-D509 PolarHBondContact O-N 3.48Å; D509-A511 PolarHBondContact O-N 2.84Å; D509-A512 WeakPolarHBondContact O-CB 3.34Å; D509-A512 PolarHBondContact O-N 3.1Å; D509-A512 VanDerWaalsContact O-N 3.12Å
510	W	81.9	Confident	85.4	Confident	220 Å²	220	65.1 Å²	65.1	83%	0.833	34%	0.34	S	S	*	.	H	α-helix	trans	-62.8	-19.5	170.7	-79.5	90.7	0	0	0	113.9
511	A	81.1	Confident	85.4	Confident	8 Å²	8	62.6 Å²	62.6	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-91.1	-13.3	176.5	0	0	0	0	0	113.3	C507 S508 D509 E513 N514 A517 C518 V521	C507-A511 WeakPolarHBondContact O-CB 3.46Å; C507-A511 PolarHBondContact O-N 3.25Å; S508-A511 WeakPolarHBondContact O-CB 3.35Å; S508-A511 PolarHBondContact O-N 3.42Å; S508-A511 VanDerWaalsContact O-N 3.09Å; D509-A511 PolarHBondContact O-N 2.84Å; A511-E513 PolarHBondContact O-N 3.09Å; A511-N514 PolarHBondContact O-N 3.3Å; A511-N514 VanDerWaalsContact O-O 3.07Å; A511-A517 HydrophobicContact CB-CB 4.23Å; A511-C518 WeakPolarHBondContact O-CB 3.35Å; A511-C518 PolarHBondContact O-N 2.73Å; A511-V521 HydrophobicContact CB-CB 4.27Å; A511-V521 HydrophobicContact CB-CG2 3.77Å
512	A	79.3	Confident	85.3	Confident	41 Å²	41	62.7 Å²	62.7	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-35.6	-174.7	0	0	0	0	0	113.6	S508 D509 N514 C590	S508-A512 PolarHBondContact O-N 3.12Å; S508-A512 VanDerWaalsContact O-N 3.15Å; D509-A512 WeakPolarHBondContact O-CB 3.34Å; D509-A512 PolarHBondContact O-N 3.1Å; D509-A512 VanDerWaalsContact O-N 3.12Å; A512-N514 PolarHBondContact O-N 3.25Å; A512-N514 VanDerWaalsContact O-N 3.16Å; A512-C590 WeakPolarHBondContact CA-SG 3.29Å
513	E	79.1	Confident	85.3	Confident	181 Å²	181	63.2 Å²	63.2	85%	0.846	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.7	177.9	-60.7	-176.5	173.8	0	0	113.3	A511	A511-E513 PolarHBondContact O-N 3.09Å
514	N	84.1	Confident	85.4	Confident	91 Å²	91	62.3 Å²	62.3	49%	0.487	33%	0.329	S	S	.	.	S	Bend	trans	-120	107.3	-176.1	-179.1	-30.1	0	0	0	111	A511 A512 A516 A517 C518	A511-N514 PolarHBondContact O-N 3.3Å; A511-N514 VanDerWaalsContact O-O 3.07Å; A512-N514 PolarHBondContact O-N 3.25Å; A512-N514 VanDerWaalsContact O-N 3.16Å; N514-A516 PolarHBondContact O-N 3.49Å; N514-A516 WeakPolarHBondContact OD1-CB 3.32Å; N514-A516 PolarHBondContact OD1-N 3.39Å; N514-A517 HydrophobicContact CB-CB 3.89Å; N514-A517 PolarHBondContact O-N 2.87Å; N514-A517 PolarHBondContact OD1-N 3.17Å; N514-C518 WeakPolarHBondContact O-CB 3.35Å; N514-C518 PolarHBondContact O-N 3.07Å
515	Q	81.4	Confident	85.5	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-52	-33.6	-177.2	-63.5	-63.2	-38.2	0	0	114.2	F519	Q515-F519 WeakPolarHBondContact O-CB 3.32Å; Q515-F519 PolarHBondContact O-N 2.95Å; Q515-F519 VanDerWaalsContact O-N 3.15Å
516	A	84.4	Confident	85.6	Confident	61 Å²	61	59.2 Å²	59.2	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-77.8	-41	177.4	0	0	0	0	0	112.4	N514 F519 I520	N514-A516 PolarHBondContact O-N 3.49Å; N514-A516 WeakPolarHBondContact OD1-CB 3.32Å; N514-A516 PolarHBondContact OD1-N 3.39Å; A516-F519 PolarHBondContact O-N 3.47Å; A516-I520 VanDerWaalsContact O-CG1 3.31Å; A516-I520 WeakPolarHBondContact O-CG1 3.25Å; A516-I520 PolarHBondContact O-N 2.97Å; A516-I520 VanDerWaalsContact O-N 3.08Å
517	A	85.1	Confident	86	Confident	32 Å²	32	59 Å²	59	26%	0.264	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-45.8	173.8	0	0	0	0	0	110.9	A511 N514 F519 I520 V521	A511-A517 HydrophobicContact CB-CB 4.23Å; N514-A517 HydrophobicContact CB-CB 3.89Å; N514-A517 PolarHBondContact O-N 2.87Å; N514-A517 PolarHBondContact OD1-N 3.17Å; A517-F519 PolarHBondContact O-N 3.31Å; A517-I520 PolarHBondContact O-N 2.89Å; A517-I520 VanDerWaalsContact O-N 3.16Å; A517-V521 WeakPolarHBondContact O-CG2 3.36Å; A517-V521 PolarHBondContact O-N 3.37Å
518	C	87	Confident	86.4	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-53.5	-48.6	174.9	-167.1	0	0	0	0	112	A511 N514 V521 T522 C590	A511-C518 WeakPolarHBondContact O-CB 3.35Å; A511-C518 PolarHBondContact O-N 2.73Å; N514-C518 WeakPolarHBondContact O-CB 3.35Å; N514-C518 PolarHBondContact O-N 3.07Å; C518-V521 PolarHBondContact O-N 3.13Å; C518-T522 PolarHBondContact O-N 3.14Å; C518-T522 PolarHBondContact O-OG1 3.43Å; C518-C590 WeakPolarHBondContact CA-SG 3.34Å; C518-C590 HydrophobicContact CB-CB 4.12Å; C518-C590 WeakPolarHBondContact CB-SG 3.49Å; C518-C590 WeakPolarHBondContact SG-CA 3.49Å; C518-C590 WeakPolarHBondContact SG-CB 3.33Å; C518-C590 CovalentContact SG-SG 2.04Å; C518-C590 PolarHBondContact SG-SG 3.46Å
519	F	87.1	Confident	86.6	Confident	88 Å²	88	57.3 Å²	57.3	39%	0.386	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-44.3	175.8	177.3	-96.8	0	0	0	113	Q515 A516 A517 T522 A523 L577 Y584 K585	Q515-F519 WeakPolarHBondContact O-CB 3.32Å; Q515-F519 PolarHBondContact O-N 2.95Å; Q515-F519 VanDerWaalsContact O-N 3.15Å; A516-F519 PolarHBondContact O-N 3.47Å; A517-F519 PolarHBondContact O-N 3.31Å; F519-T522 PolarHBondContact O-N 3.41Å; F519-A523 WeakPolarHBondContact O-CB 3.43Å; F519-A523 PolarHBondContact O-N 2.92Å; F519-L577 HydrophobicContact CE2-CD2 4.21Å; F519-L577 HydrophobicContact CZ-CD2 3.79Å; F519-Y584 HydrophobicContact CD2-CD1 4.35Å; F519-Y584 AromaticContact CE2-CD1 3.95Å; F519-Y584 HydrophobicContact CE2-CD1 3.95Å; F519-Y584 HydrophobicContact CE2-CG 4.42Å; F519-K585 HydrophobicContact CB-CD 4.39Å
520	I	89.6	Confident	87.2	Confident	99 Å²	99	53 Å²	53	51%	0.508	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-45	177.4	-68.9	165.3	0	0	0	110.5	A516 A517 A523 L524	A516-I520 VanDerWaalsContact O-CG1 3.31Å; A516-I520 WeakPolarHBondContact O-CG1 3.25Å; A516-I520 PolarHBondContact O-N 2.97Å; A516-I520 VanDerWaalsContact O-N 3.08Å; A517-I520 PolarHBondContact O-N 2.89Å; A517-I520 VanDerWaalsContact O-N 3.16Å; I520-A523 PolarHBondContact O-N 3.28Å; I520-L524 HydrophobicContact CG2-CD1 3.84Å; I520-L524 HydrophobicContact CG2-CG 4.34Å; I520-L524 WeakPolarHBondContact O-CB 3.31Å; I520-L524 VanDerWaalsContact O-CG 3.3Å; I520-L524 WeakPolarHBondContact O-CG 3.39Å; I520-L524 PolarHBondContact O-N 2.95Å
521	V	90.4	Very high	87.8	Confident	15 Å²	15	42.6 Å²	42.6	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-45.8	176.8	170.4	0	0	0	0	110.8	L504 A511 A517 C518 A523 L524 L525	L504-V521 HydrophobicContact CD2-CG2 4.42Å; A511-V521 HydrophobicContact CB-CB 4.27Å; A511-V521 HydrophobicContact CB-CG2 3.77Å; A517-V521 WeakPolarHBondContact O-CG2 3.36Å; A517-V521 PolarHBondContact O-N 3.37Å; C518-V521 PolarHBondContact O-N 3.13Å; V521-A523 VanDerWaalsContact C-N 3.33Å; V521-A523 PolarHBondContact O-N 3.13Å; V521-L524 PolarHBondContact O-N 3.03Å; V521-L525 HydrophobicContact CG1-CD1 3.64Å; V521-L525 HydrophobicContact CG1-CG 4.11Å; V521-L525 VanDerWaalsContact O-CB 3.27Å; V521-L525 WeakPolarHBondContact O-CB 3.48Å; V521-L525 VanDerWaalsContact O-CG 3.23Å; V521-L525 WeakPolarHBondContact O-CG 3.27Å; V521-L525 PolarHBondContact O-N 3.37Å
522	T	89	Confident	88.2	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-41.5	174.6	-54.6	0	0	0	0	112.7	C518 F519 H526 Y584 K585 C590 W591	C518-T522 PolarHBondContact O-N 3.14Å; C518-T522 PolarHBondContact O-OG1 3.43Å; F519-T522 PolarHBondContact O-N 3.41Å; T522-H526 PolarHBondContact O-N 2.97Å; T522-H526 VanDerWaalsContact O-N 3.12Å; T522-Y584 HydrophobicContact CG2-CD1 4.21Å; T522-Y584 HydrophobicContact CG2-CE1 3.86Å; T522-K585 HydrophobicContact CG2-CB 4.26Å; T522-C590 PolarHBondContact OG1-O 3.05Å; T522-W591 VanDerWaalsContact CG2-C 3.41Å
523	A	90.1	Very high	88.7	Confident	17 Å²	17	40.4 Å²	40.4	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-42.7	178.1	0	0	0	0	0	112.5	F519 I520 V521 L527 Y584	F519-A523 WeakPolarHBondContact O-CB 3.43Å; F519-A523 PolarHBondContact O-N 2.92Å; I520-A523 PolarHBondContact O-N 3.28Å; V521-A523 VanDerWaalsContact C-N 3.33Å; V521-A523 PolarHBondContact O-N 3.13Å; A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 PolarHBondContact O-N 3.32Å; A523-L527 VanDerWaalsContact O-N 3.11Å; A523-Y584 HydrophobicContact CB-CE1 4.29Å
524	L	92.4	Very high	89.3	Confident	62 Å²	62	31.9 Å²	31.9	33%	0.325	18%	0.176	S	C	.	.	H	α-helix	trans	-70.3	-38.8	177.2	-66.8	175.1	0	0	0	112.2	L504 I520 V521 L527 F528	L504-L524 HydrophobicContact CD1-CB 3.63Å; L504-L524 HydrophobicContact CD2-CD1 4.38Å; I520-L524 HydrophobicContact CG2-CD1 3.84Å; I520-L524 HydrophobicContact CG2-CG 4.34Å; I520-L524 WeakPolarHBondContact O-CB 3.31Å; I520-L524 VanDerWaalsContact O-CG 3.3Å; I520-L524 WeakPolarHBondContact O-CG 3.39Å; I520-L524 PolarHBondContact O-N 2.95Å; V521-L524 PolarHBondContact O-N 3.03Å; L524-L527 PolarHBondContact O-N 3.24Å; L524-F528 HydrophobicContact CB-CD2 4.22Å; L524-F528 HydrophobicContact CB-CE2 4.14Å; L524-F528 HydrophobicContact CD2-CE2 4.07Å; L524-F528 WeakPolarHBondContact O-CD2 3.48Å; L524-F528 PolarHBondContact O-N 3.25Å
525	L	90.7	Very high	89.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-50.6	174.1	-80.7	170.5	0	0	0	111.5	A501 L504 L505 V521 L527 F528 F529 W591	A501-L525 WeakPolarHBondContact O-CD2 3.5Å; L504-L525 HydrophobicContact CB-CD2 3.56Å; L504-L525 HydrophobicContact CB-CG 3.94Å; L505-L525 HydrophobicContact CD2-CD1 4.02Å; L505-L525 HydrophobicContact CD2-CD2 3.69Å; L505-L525 HydrophobicContact CG-CD2 3.76Å; V521-L525 HydrophobicContact CG1-CD1 3.64Å; V521-L525 HydrophobicContact CG1-CG 4.11Å; V521-L525 VanDerWaalsContact O-CB 3.27Å; V521-L525 WeakPolarHBondContact O-CB 3.48Å; V521-L525 VanDerWaalsContact O-CG 3.23Å; V521-L525 WeakPolarHBondContact O-CG 3.27Å; V521-L525 PolarHBondContact O-N 3.37Å; L525-L527 VanDerWaalsContact C-N 3.29Å; L525-L527 PolarHBondContact O-N 2.95Å; L525-F528 PolarHBondContact O-N 3.37Å; L525-F529 HydrophobicContact CD2-CD2 4.45Å; L525-F529 HydrophobicContact CD2-CE2 3.93Å; L525-F529 WeakPolarHBondContact O-CB 3.38Å; L525-F529 WeakPolarHBondContact O-CD2 3.48Å; L525-F529 PolarHBondContact O-N 3.08Å; L525-W591 HydrophobicContact CB-CE3 4.5Å; L525-W591 HydrophobicContact CB-CZ3 4.01Å; L525-W591 HydrophobicContact CD1-CE3 4.12Å; L525-W591 HydrophobicContact CD1-CZ3 4.23Å
526	H	90.4	Very high	90	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-43.6	175.8	-172.5	-174.4	0	0	0	110.9	T522 M530 V573 Y584 F602	T522-H526 PolarHBondContact O-N 2.97Å; T522-H526 VanDerWaalsContact O-N 3.12Å; H526-M530 WeakPolarHBondContact O-CB 3.21Å; H526-M530 PolarHBondContact O-N 3.43Å; H526-V573 HydrophobicContact CB-CG2 4.34Å; H526-Y584 WeakPolarHBondContact CB-OH 3.21Å; H526-Y584 AromaticContact ND1-CZ 3.85Å; H526-Y584 PolarHBondContact ND1-OH 2.89Å; H526-F602 AromaticContact CD2-CD2 3.62Å; H526-F602 AromaticContact NE2-CD2 3.9Å
527	L	93.4	Very high	90.2	Very high	33 Å²	33	20.8 Å²	20.8	17%	0.173	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-48.6	177.8	-179.6	63	0	0	0	113.5	A523 L524 L525 M530 A531 P569 V570 V573	A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 PolarHBondContact O-N 3.32Å; A523-L527 VanDerWaalsContact O-N 3.11Å; L524-L527 PolarHBondContact O-N 3.24Å; L525-L527 VanDerWaalsContact C-N 3.29Å; L525-L527 PolarHBondContact O-N 2.95Å; L527-M530 PolarHBondContact O-N 3.24Å; L527-A531 VanDerWaalsContact O-CB 3.23Å; L527-A531 WeakPolarHBondContact O-CB 3.39Å; L527-A531 PolarHBondContact O-N 3.19Å; L527-P569 HydrophobicContact CD1-CB 3.83Å; L527-V570 HydrophobicContact CD1-CG2 3.78Å; L527-V573 HydrophobicContact CB-CG2 4.23Å; L527-V573 HydrophobicContact CD1-CG2 4.33Å
528	F	93.3	Very high	90.4	Very high	30 Å²	30	19.2 Å²	19.2	13%	0.132	10%	0.099	C	C	.	.	H	α-helix	trans	-76.5	-31.5	-175.1	-69.7	-61.1	0	0	0	113.3	L500 A501 L504 L524 L525 S532 W566	L500-F528 HydrophobicContact CB-CG 4.45Å; L500-F528 HydrophobicContact CD2-CD1 4.13Å; L500-F528 HydrophobicContact CD2-CD2 4.15Å; L500-F528 HydrophobicContact CD2-CE1 3.63Å; L500-F528 HydrophobicContact CD2-CE2 3.63Å; L500-F528 HydrophobicContact CD2-CG 4.39Å; L500-F528 HydrophobicContact CD2-CZ 3.36Å; L500-F528 HydrophobicContact CG-CD1 4.41Å; L500-F528 HydrophobicContact CG-CD2 3.94Å; L500-F528 HydrophobicContact CG-CE1 4.35Å; L500-F528 HydrophobicContact CG-CE2 3.84Å; L500-F528 HydrophobicContact CG-CG 4.24Å; L500-F528 HydrophobicContact CG-CZ 4.08Å; A501-F528 HydrophobicContact CB-CB 3.85Å; L504-F528 HydrophobicContact CD1-CD2 3.53Å; L504-F528 HydrophobicContact CD1-CE2 3.94Å; L524-F528 HydrophobicContact CB-CD2 4.22Å; L524-F528 HydrophobicContact CB-CE2 4.14Å; L524-F528 HydrophobicContact CD2-CE2 4.07Å; L524-F528 WeakPolarHBondContact O-CD2 3.48Å; L524-F528 PolarHBondContact O-N 3.25Å; L525-F528 PolarHBondContact O-N 3.37Å; F528-S532 PolarHBondContact O-N 2.97Å; F528-W566 HydrophobicContact CD1-CH2 4.13Å; F528-W566 AromaticContact CD1-CZ3 3.89Å; F528-W566 HydrophobicContact CD1-CZ3 3.89Å; F528-W566 HydrophobicContact CE1-CH2 4.08Å; F528-W566 AromaticContact CE1-CZ3 3.84Å; F528-W566 HydrophobicContact CE1-CZ3 3.84Å
529	F	89.9	Confident	90.4	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.039	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-48	167.2	-76.8	-57.4	0	0	0	111.6	L498 A501 L505 L525 A531 S532 F533 W591 F602 W667	L498-F529 HydrophobicContact CD1-CE1 4.4Å; A501-F529 HydrophobicContact CB-CD1 3.83Å; A501-F529 HydrophobicContact CB-CD2 4.1Å; A501-F529 HydrophobicContact CB-CE1 3.62Å; A501-F529 HydrophobicContact CB-CE2 3.93Å; A501-F529 HydrophobicContact CB-CG 4.05Å; A501-F529 HydrophobicContact CB-CZ 3.67Å; L505-F529 HydrophobicContact CD1-CE2 4.03Å; L505-F529 HydrophobicContact CD1-CZ 3.69Å; L505-F529 HydrophobicContact CD2-CE2 4.33Å; L505-F529 HydrophobicContact CG-CE2 4.1Å; L505-F529 HydrophobicContact CG-CZ 4.16Å; L525-F529 HydrophobicContact CD2-CD2 4.45Å; L525-F529 HydrophobicContact CD2-CE2 3.93Å; L525-F529 WeakPolarHBondContact O-CB 3.38Å; L525-F529 WeakPolarHBondContact O-CD2 3.48Å; L525-F529 PolarHBondContact O-N 3.08Å; F529-A531 PolarHBondContact O-N 3.19Å; F529-S532 PolarHBondContact O-N 3.21Å; F529-S532 PolarHBondContact O-OG 3.43Å; F529-F533 WeakPolarHBondContact O-CD2 3.5Å; F529-F533 PolarHBondContact O-N 3.04Å; F529-W591 AromaticContact CD2-CH2 3.87Å; F529-W591 HydrophobicContact CD2-CH2 3.87Å; F529-W591 HydrophobicContact CD2-CZ3 4.08Å; F529-W591 HydrophobicContact CE2-CH2 4.14Å; F529-W591 HydrophobicContact CE2-CZ3 4.06Å; F529-F602 HydrophobicContact CB-CE2 3.91Å; F529-F602 HydrophobicContact CB-CZ 4.21Å; F529-W667 AromaticContact CD1-CH2 3.53Å; F529-W667 HydrophobicContact CD1-CH2 3.53Å; F529-W667 AromaticContact CD1-CZ2 3.78Å; F529-W667 HydrophobicContact CD1-CZ2 3.78Å; F529-W667 AromaticContact CE1-CH2 3.54Å; F529-W667 HydrophobicContact CE1-CH2 3.54Å; F529-W667 AromaticContact CE1-CZ2 3.78Å; F529-W667 HydrophobicContact CE1-CZ2 3.78Å; F529-W667 HydrophobicContact CG-CH2 4.27Å; F529-W667 HydrophobicContact CZ-CH2 4.25Å
530	M	91.3	Very high	90.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-35	176.3	-168.1	60.2	62.5	0	0	111.8	H526 L527 C534 P569 I572 F602 P605	H526-M530 WeakPolarHBondContact O-CB 3.21Å; H526-M530 PolarHBondContact O-N 3.43Å; L527-M530 PolarHBondContact O-N 3.24Å; M530-C534 WeakPolarHBondContact O-CB 3.05Å; M530-C534 PolarHBondContact O-N 3.01Å; M530-C534 PolarHBondContact O-SG 3.49Å; M530-P569 HydrophobicContact CB-CB 4.1Å; M530-P569 HydrophobicContact CG-CB 3.98Å; M530-P569 HydrophobicContact CG-CG 4.31Å; M530-I572 HydrophobicContact CE-CG2 4.24Å; M530-I572 HydrophobicContact CG-CD1 4.11Å; M530-I572 HydrophobicContact SD-CD1 3.92Å; M530-F602 HydrophobicContact CE-CD2 3.82Å; M530-F602 HydrophobicContact CE-CE2 4.45Å; M530-P605 HydrophobicContact CE-CB 3.9Å; M530-P605 HydrophobicContact CE-CG 4.24Å; M530-P605 HydrophobicContact SD-CB 3.85Å
531	A	93.7	Very high	90.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.8	-38.7	172.8	0	0	0	0	0	113.7	A497 L527 F529 C534 W535 W566 P569	A497-A531 HydrophobicContact CB-CB 4.22Å; L527-A531 VanDerWaalsContact O-CB 3.23Å; L527-A531 WeakPolarHBondContact O-CB 3.39Å; L527-A531 PolarHBondContact O-N 3.19Å; F529-A531 PolarHBondContact O-N 3.19Å; A531-C534 PolarHBondContact O-N 3.45Å; A531-W535 WeakPolarHBondContact O-CB 3.23Å; A531-W535 VanDerWaalsContact O-CD1 3.26Å; A531-W535 PolarHBondContact O-N 3.29Å; A531-W566 HydrophobicContact CB-CE3 3.71Å; A531-W566 HydrophobicContact CB-CH2 4.25Å; A531-W566 HydrophobicContact CB-CZ3 3.48Å; A531-W566 VanDerWaalsContact CB-CZ3 3.48Å; A531-P569 VanDerWaalsContact CA-CG 3.48Å; A531-P569 HydrophobicContact CB-CB 4.17Å; A531-P569 HydrophobicContact CB-CG 3.92Å
532	S	90.5	Very high	90	Very high	4 Å²	4	12 Å²	12	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-65	-41.1	174.8	76.9	0	0	0	0	111	L494 F528 F529 C534 W535 M536	L494-S532 VanDerWaalsContact CD1-O 3.25Å; L494-S532 WeakPolarHBondContact CD1-O 3.45Å; F528-S532 PolarHBondContact O-N 2.97Å; F529-S532 PolarHBondContact O-N 3.21Å; F529-S532 PolarHBondContact O-OG 3.43Å; S532-C534 PolarHBondContact O-N 2.84Å; S532-W535 PolarHBondContact O-N 2.92Å; S532-M536 WeakPolarHBondContact O-CB 3.42Å; S532-M536 PolarHBondContact O-N 3.04Å
533	F	88.9	Confident	89.5	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.4	-44.9	170.5	-73.7	-69.2	0	0	0	112.9	F529 M536 L537 F602 V606 V609 W667	F529-F533 WeakPolarHBondContact O-CD2 3.5Å; F529-F533 PolarHBondContact O-N 3.04Å; F533-M536 HydrophobicContact CD1-CE 3.42Å; F533-M536 VanDerWaalsContact CD1-CE 3.42Å; F533-M536 HydrophobicContact CE1-CE 3.85Å; F533-M536 HydrophobicContact CG-CE 4.3Å; F533-M536 WeakPolarHBondContact O-CB 3.13Å; F533-M536 PolarHBondContact O-N 2.9Å; F533-L537 PolarHBondContact O-N 3.32Å; F533-F602 HydrophobicContact CE2-CE2 4.2Å; F533-F602 AromaticContact CE2-CZ 4Å; F533-F602 HydrophobicContact CE2-CZ 4Å; F533-V606 HydrophobicContact CD1-CG1 4.31Å; F533-V606 HydrophobicContact CD1-CG2 4.28Å; F533-V606 HydrophobicContact CD2-CG2 3.58Å; F533-V606 HydrophobicContact CE1-CB 4.44Å; F533-V606 HydrophobicContact CE1-CG1 3.67Å; F533-V606 HydrophobicContact CE1-CG2 4.12Å; F533-V606 HydrophobicContact CE2-CB 4.47Å; F533-V606 HydrophobicContact CE2-CG1 4.26Å; F533-V606 HydrophobicContact CE2-CG2 3.39Å; F533-V606 HydrophobicContact CG-CG2 4.05Å; F533-V606 HydrophobicContact CZ-CB 4.3Å; F533-V606 HydrophobicContact CZ-CG1 3.63Å; F533-V606 HydrophobicContact CZ-CG2 3.66Å; F533-V609 HydrophobicContact CB-CG1 4.18Å; F533-V609 HydrophobicContact CD1-CG1 4.25Å; F533-V609 WeakPolarHBondContact O-CG1 3.25Å; F533-W667 HydrophobicContact CE1-CB 4.16Å; F533-W667 AromaticContact CE1-CD1 3.93Å; F533-W667 AromaticContact CE1-CD2 4Å; F533-W667 HydrophobicContact CE1-CD2 4Å; F533-W667 AromaticContact CE1-CG 3.74Å; F533-W667 HydrophobicContact CE1-CG 3.74Å; F533-W667 HydrophobicContact CE2-CD2 4.3Å; F533-W667 HydrophobicContact CE2-CE3 4.32Å; F533-W667 HydrophobicContact CE2-CZ3 4.42Å; F533-W667 HydrophobicContact CZ-CB 4.21Å; F533-W667 AromaticContact CZ-CD2 3.37Å; F533-W667 HydrophobicContact CZ-CD2 3.37Å; F533-W667 AromaticContact CZ-CE2 3.73Å; F533-W667 AromaticContact CZ-CE3 3.62Å; F533-W667 HydrophobicContact CZ-CE3 3.62Å; F533-W667 AromaticContact CZ-CG 3.62Å; F533-W667 HydrophobicContact CZ-CG 3.62Å; F533-W667 HydrophobicContact CZ-CH2 4.45Å; F533-W667 HydrophobicContact CZ-CZ2 4.27Å; F533-W667 HydrophobicContact CZ-CZ3 4.16Å
534	C	92.5	Very high	89.1	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-70.3	-36.9	179.9	-68	0	0	0	0	113	M530 A531 S532 M536 L537 V538 I564 P569	M530-C534 WeakPolarHBondContact O-CB 3.05Å; M530-C534 PolarHBondContact O-N 3.01Å; M530-C534 PolarHBondContact O-SG 3.49Å; A531-C534 PolarHBondContact O-N 3.45Å; S532-C534 PolarHBondContact O-N 2.84Å; C534-M536 VanDerWaalsContact C-N 3.33Å; C534-L537 PolarHBondContact O-N 3.18Å; C534-V538 WeakPolarHBondContact O-CG2 3.2Å; C534-V538 PolarHBondContact O-N 2.89Å; C534-I564 WeakPolarHBondContact CB-O 3.32Å; C534-P569 HydrophobicContact CB-CG 3.83Å
535	W	92.3	Very high	88.7	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.3	-30.4	172.2	-83.3	108.5	0	0	0	113	V490 N493 L494 A531 S532 V538 E539 Y562 G565 W566	V490-W535 HydrophobicContact CB-CE3 4.48Å; V490-W535 HydrophobicContact CG1-CE3 4.27Å; V490-W535 HydrophobicContact CG2-CE3 4.34Å; V490-W535 HydrophobicContact CG2-CZ3 4.02Å; N493-W535 HydrophobicContact CB-CD2 3.47Å; N493-W535 VanDerWaalsContact CB-CD2 3.47Å; N493-W535 HydrophobicContact CB-CE3 3.89Å; N493-W535 HydrophobicContact CB-CG 3.94Å; N493-W535 HydrophobicContact CB-CH2 4.07Å; N493-W535 HydrophobicContact CB-CZ2 3.67Å; N493-W535 HydrophobicContact CB-CZ3 4.17Å; N493-W535 VanDerWaalsContact CG-CZ2 3.45Å; N493-W535 WeakPolarHBondContact OD1-CZ2 3.27Å; L494-W535 HydrophobicContact CB-CB 4.14Å; L494-W535 HydrophobicContact CD1-CB 4.15Å; A531-W535 WeakPolarHBondContact O-CB 3.23Å; A531-W535 VanDerWaalsContact O-CD1 3.26Å; A531-W535 PolarHBondContact O-N 3.29Å; S532-W535 PolarHBondContact O-N 2.92Å; W535-V538 HydrophobicContact CE3-CB 4.14Å; W535-V538 HydrophobicContact CE3-CG1 3.79Å; W535-V538 HydrophobicContact CZ3-CG1 3.84Å; W535-V538 WeakPolarHBondContact O-CB 3.37Å; W535-V538 PolarHBondContact O-N 3.13Å; W535-E539 PolarHBondContact O-N 3.22Å; W535-Y562 AromaticContact CH2-CD1 3.8Å; W535-Y562 HydrophobicContact CH2-CD1 3.8Å; W535-Y562 HydrophobicContact CH2-CD2 4.16Å; W535-Y562 AromaticContact CH2-CE1 3.87Å; W535-Y562 HydrophobicContact CH2-CE1 3.87Å; W535-Y562 HydrophobicContact CH2-CE2 4.23Å; W535-Y562 AromaticContact CH2-CG 3.94Å; W535-Y562 HydrophobicContact CH2-CG 3.94Å; W535-Y562 AromaticContact CZ2-CD1 3.73Å; W535-Y562 HydrophobicContact CZ2-CD1 3.73Å; W535-Y562 AromaticContact CZ2-CE1 3.85Å; W535-Y562 HydrophobicContact CZ2-CE1 3.85Å; W535-Y562 HydrophobicContact CZ2-CG 4.26Å; W535-G565 VanDerWaalsContact CD1-O 3.27Å; W535-G565 PolarHBondContact NE1-O 2.84Å; W535-W566 AromaticContact CE2-CD1 3.76Å; W535-W566 AromaticContact CE2-NE1 3.57Å; W535-W566 AromaticContact CZ2-CD1 3.47Å; W535-W566 VanDerWaalsContact CZ2-CD1 3.47Å; W535-W566 HydrophobicContact CZ2-CG 4.4Å; W535-W566 AromaticContact CZ2-NE1 3.49Å; W535-W566 AromaticContact NE1-CD1 3.45Å; W535-W566 AromaticContact NE1-CD2 3.63Å; W535-W566 AromaticContact NE1-CE2 3.29Å; W535-W566 VanDerWaalsContact NE1-CE2 3.29Å; W535-W566 AromaticContact NE1-CG 3.73Å; W535-W566 AromaticContact NE1-CZ2 3.86Å; W535-W566 AromaticContact NE1-NE1 3.14Å; W535-W566 VanDerWaalsContact NE1-NE1 3.14Å
536	M	87.4	Confident	88	Confident	9 Å²	9	19.6 Å²	19.6	4%	0.044	9%	0.091	C	C	.	.	H	α-helix	trans	-71.2	-39.3	172.7	175.7	162.8	56.9	0	0	112.4	L494 S532 F533 C534 V538 E539 G540 V662 L663	L494-M536 HydrophobicContact CD1-CB 4.17Å; S532-M536 WeakPolarHBondContact O-CB 3.42Å; S532-M536 PolarHBondContact O-N 3.04Å; F533-M536 HydrophobicContact CD1-CE 3.42Å; F533-M536 VanDerWaalsContact CD1-CE 3.42Å; F533-M536 HydrophobicContact CE1-CE 3.85Å; F533-M536 HydrophobicContact CG-CE 4.3Å; F533-M536 WeakPolarHBondContact O-CB 3.13Å; F533-M536 PolarHBondContact O-N 2.9Å; C534-M536 VanDerWaalsContact C-N 3.33Å; M536-V538 VanDerWaalsContact C-N 3.32Å; M536-E539 PolarHBondContact O-N 3.18Å; M536-G540 PolarHBondContact O-N 2.97Å; M536-G540 VanDerWaalsContact O-N 3.08Å; M536-V662 VanDerWaalsContact SD-C 3.59Å; M536-V662 HydrophobicContact SD-CG1 3.87Å; M536-L663 HydrophobicContact CG-CD2 3.55Å; M536-L663 VanDerWaalsContact SD-CA 3.59Å; M536-L663 HydrophobicContact SD-CD2 3.8Å
537	L	88.6	Confident	87.2	Confident	26 Å²	26	22.2 Å²	22.2	14%	0.136	11%	0.107	C	C	.	.	H	α-helix	trans	-58.3	-44.3	166.4	177.5	62.1	0	0	0	111.5	F533 C534 E539 G540 L541 I564 V609 V612 N613	F533-L537 PolarHBondContact O-N 3.32Å; C534-L537 PolarHBondContact O-N 3.18Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 2.81Å; L537-G540 PolarHBondContact O-N 2.88Å; L537-L541 HydrophobicContact CD1-CD1 4.35Å; L537-L541 HydrophobicContact CD1-CG 4.33Å; L537-L541 HydrophobicContact CG-CD1 4.07Å; L537-L541 HydrophobicContact CG-CG 4.47Å; L537-L541 WeakPolarHBondContact O-CG 3.42Å; L537-L541 PolarHBondContact O-N 3.17Å; L537-I564 HydrophobicContact CD2-CG2 4.43Å; L537-V609 HydrophobicContact CB-CG1 4.21Å; L537-V609 HydrophobicContact CD2-CG2 4.36Å; L537-V612 HydrophobicContact CD1-CB 4.17Å; L537-V612 HydrophobicContact CD1-CG1 3.61Å; L537-N613 WeakPolarHBondContact CA-ND2 3.27Å
538	V	90.8	Very high	86	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.6	-36.4	174.3	162	0	0	0	0	112.2	V490 C534 W535 M536 L541 L542 Y561 I564	V490-V538 HydrophobicContact CG1-CG1 4.12Å; V490-V538 HydrophobicContact CG2-CG1 3.62Å; C534-V538 WeakPolarHBondContact O-CG2 3.2Å; C534-V538 PolarHBondContact O-N 2.89Å; W535-V538 HydrophobicContact CE3-CB 4.14Å; W535-V538 HydrophobicContact CE3-CG1 3.79Å; W535-V538 HydrophobicContact CZ3-CG1 3.84Å; W535-V538 WeakPolarHBondContact O-CB 3.37Å; W535-V538 PolarHBondContact O-N 3.13Å; M536-V538 VanDerWaalsContact C-N 3.32Å; V538-L541 PolarHBondContact O-N 2.87Å; V538-L542 VanDerWaalsContact O-CB 3.3Å; V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 2.92Å; V538-Y561 HydrophobicContact CG1-CD1 4.13Å; V538-Y561 HydrophobicContact CG1-CD2 3.99Å; V538-Y561 HydrophobicContact CG1-CG 3.68Å; V538-Y561 HydrophobicContact CG2-CD1 4.24Å; V538-Y561 HydrophobicContact CG2-CG 4.38Å; V538-I564 HydrophobicContact CG2-CB 3.92Å; V538-I564 HydrophobicContact CG2-CG2 3.75Å
539	E	86.3	Confident	84.4	Confident	4 Å²	4	25.1 Å²	25.1	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-44.5	173.2	-174.9	167	164.9	0	0	112.1	R487 V490 H491 W535 M536 L537 L541 L542 L543 I658 L659 Y698	R487-E539 IonicContact NH2-OE1 3.99Å; R487-E539 PolarHBondContact NH2-OE1 3.48Å; V490-E539 HydrophobicContact CG1-CB 3.83Å; V490-E539 HydrophobicContact CG1-CG 4.49Å; H491-E539 IonicContact CE1-OE1 2.84Å; H491-E539 PolarHBondContact CE1-OE1 3.29Å; H491-E539 IonicContact CE1-OE2 3.77Å; H491-E539 PolarHBondContact CE1-OE2 2.96Å; H491-E539 IonicContact ND1-OE1 2.74Å; H491-E539 IonicContact ND1-OE2 3.85Å; H491-E539 PolarHBondContact ND1-OE2 3.28Å; W535-E539 PolarHBondContact O-N 3.22Å; M536-E539 PolarHBondContact O-N 3.18Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 2.81Å; E539-L541 VanDerWaalsContact C-N 3.35Å; E539-L541 PolarHBondContact O-N 3.1Å; E539-L542 PolarHBondContact O-N 2.88Å; E539-L543 WeakPolarHBondContact O-CG 3.37Å; E539-L543 PolarHBondContact O-N 3.44Å; E539-I658 VanDerWaalsContact OE1-CG2 3.24Å; E539-I658 WeakPolarHBondContact OE1-CG2 3.48Å; E539-L659 HydrophobicContact CG-CD1 4.22Å; E539-Y698 PolarHBondContact OE2-OH 3.38Å; E539-Y698 VanDerWaalsContact OE2-OH 3.07Å
540	G	85.7	Confident	82.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.6	-50.9	172.7	0	0	0	0	0	111.6	M536 L537 L542 L543 W544 V616	M536-G540 PolarHBondContact O-N 2.97Å; M536-G540 VanDerWaalsContact O-N 3.08Å; L537-G540 PolarHBondContact O-N 2.88Å; G540-L542 VanDerWaalsContact C-N 3.33Å; G540-L542 PolarHBondContact O-N 3.29Å; G540-L543 PolarHBondContact O-N 3.14Å; G540-W544 PolarHBondContact O-N 3.03Å; G540-V616 WeakPolarHBondContact O-CG1 3.34Å
541	L	86.9	Confident	81.2	Confident	47 Å²	47	38.8 Å²	38.8	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-34.8	177.7	-67	173.6	0	0	0	113.1	L537 V538 E539 W544 S545 Y561 I564	L537-L541 HydrophobicContact CD1-CD1 4.35Å; L537-L541 HydrophobicContact CD1-CG 4.33Å; L537-L541 HydrophobicContact CG-CD1 4.07Å; L537-L541 HydrophobicContact CG-CG 4.47Å; L537-L541 WeakPolarHBondContact O-CG 3.42Å; L537-L541 PolarHBondContact O-N 3.17Å; V538-L541 PolarHBondContact O-N 2.87Å; E539-L541 VanDerWaalsContact C-N 3.35Å; E539-L541 PolarHBondContact O-N 3.1Å; L541-W544 PolarHBondContact O-N 3.09Å; L541-S545 VanDerWaalsContact O-CB 3.25Å; L541-S545 WeakPolarHBondContact O-CB 3.42Å; L541-S545 PolarHBondContact O-N 3.36Å; L541-Y561 HydrophobicContact CB-CE1 4.12Å; L541-Y561 PolarHBondContact O-OH 3.48Å; L541-I564 HydrophobicContact CD1-CD1 4.44Å
542	L	84.8	Confident	79.8	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-41.1	173.9	177.5	66.5	0	0	0	112	D486 R487 V490 V538 E539 G540 K546 Y561	D486-L542 HydrophobicContact CB-CD1 3.78Å; D486-L542 HydrophobicContact CB-CD2 4.25Å; R487-L542 HydrophobicContact CB-CD2 4.06Å; R487-L542 HydrophobicContact CG-CD2 4.45Å; V490-L542 HydrophobicContact CB-CD2 4.41Å; V490-L542 HydrophobicContact CG2-CD2 4.07Å; V538-L542 VanDerWaalsContact O-CB 3.3Å; V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 2.92Å; E539-L542 PolarHBondContact O-N 2.88Å; G540-L542 VanDerWaalsContact C-N 3.33Å; G540-L542 PolarHBondContact O-N 3.29Å; L542-K546 HydrophobicContact CD1-CD 4.33Å; L542-K546 WeakPolarHBondContact O-CG 3.3Å; L542-K546 PolarHBondContact O-N 3.18Å; L542-K546 VanDerWaalsContact O-N 3.14Å; L542-Y561 HydrophobicContact CB-CE2 4.16Å; L542-Y561 HydrophobicContact CD1-CE2 3.99Å
543	L	80.5	Confident	79	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-42.6	174.9	-68.2	176.8	0	0	0	111.5	E539 G540 K546 V547 L659	E539-L543 WeakPolarHBondContact O-CG 3.37Å; E539-L543 PolarHBondContact O-N 3.44Å; G540-L543 PolarHBondContact O-N 3.14Å; L543-K546 PolarHBondContact O-N 2.69Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.16Å; L543-L659 HydrophobicContact CD1-CD1 3.49Å; L543-L659 VanDerWaalsContact CD1-CD1 3.49Å; L543-L659 HydrophobicContact CD1-CD2 3.9Å; L543-L659 HydrophobicContact CD1-CG 4.37Å
544	W	81.7	Confident	78.3	Confident	88 Å²	88	52.9 Å²	52.9	33%	0.333	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-51.4	173.3	-179.6	-117.1	0	0	0	111.9	G540 L541 K546 V547 V548 V616 R619 V620	G540-W544 PolarHBondContact O-N 3.03Å; L541-W544 PolarHBondContact O-N 3.09Å; W544-K546 VanDerWaalsContact C-N 3.27Å; W544-K546 PolarHBondContact O-N 2.89Å; W544-V547 PolarHBondContact O-N 3.48Å; W544-V548 HydrophobicContact CD2-CB 4.4Å; W544-V548 HydrophobicContact CD2-CG2 4.19Å; W544-V548 HydrophobicContact CE3-CG2 3.81Å; W544-V548 HydrophobicContact CH2-CB 4.31Å; W544-V548 HydrophobicContact CH2-CG1 4.26Å; W544-V548 HydrophobicContact CH2-CG2 3.69Å; W544-V548 HydrophobicContact CZ2-CB 4.18Å; W544-V548 HydrophobicContact CZ2-CG1 4.01Å; W544-V548 HydrophobicContact CZ2-CG2 4.06Å; W544-V548 HydrophobicContact CZ3-CB 4.44Å; W544-V548 HydrophobicContact CZ3-CG2 3.52Å; W544-V548 PolarHBondContact O-N 3.37Å; W544-V616 HydrophobicContact CB-CG1 3.96Å; W544-R619 HydrophobicContact CE3-CB 4.26Å; W544-R619 HydrophobicContact CH2-CB 3.98Å; W544-R619 HydrophobicContact CZ3-CB 3.46Å; W544-R619 VanDerWaalsContact CZ3-CB 3.46Å; W544-R619 HydrophobicContact CZ3-CG 4.47Å; W544-V620 HydrophobicContact CE3-CG2 4.02Å
545	S	82.5	Confident	77.5	Confident	13 Å²	13	58.9 Å²	58.9	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-40.2	-180	-173.8	0	0	0	0	111.6	L541 V547 S549	L541-S545 VanDerWaalsContact O-CB 3.25Å; L541-S545 WeakPolarHBondContact O-CB 3.42Å; L541-S545 PolarHBondContact O-N 3.36Å; S545-V547 VanDerWaalsContact C-N 3.27Å; S545-V547 PolarHBondContact O-N 2.81Å; S545-S549 WeakPolarHBondContact O-CA 3.32Å; S545-S549 WeakPolarHBondContact O-CB 3.29Å; S545-S549 PolarHBondContact O-N 3.25Å; S545-S549 VanDerWaalsContact O-O 3.13Å
546	K	76.3	Confident	76.9	Confident	116 Å²	116	62.3 Å²	62.3	50%	0.504	34%	0.341	S	S	.	.	H	α-helix	trans	-73.3	-11.9	178.8	-76.7	179.3	173.2	178.6	0	115	L542 L543 W544	L542-K546 HydrophobicContact CD1-CD 4.33Å; L542-K546 WeakPolarHBondContact O-CG 3.3Å; L542-K546 PolarHBondContact O-N 3.18Å; L542-K546 VanDerWaalsContact O-N 3.14Å; L543-K546 PolarHBondContact O-N 2.69Å; W544-K546 VanDerWaalsContact C-N 3.27Å; W544-K546 PolarHBondContact O-N 2.89Å
547	V	73.5	Confident	76.8	Confident	59 Å²	59	63.3 Å²	63.3	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-107.4	-26.7	-178.6	173.2	0	0	0	0	112.2	L543 W544 S545 V620 V623	L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.16Å; W544-V547 PolarHBondContact O-N 3.48Å; S545-V547 VanDerWaalsContact C-N 3.27Å; S545-V547 PolarHBondContact O-N 2.81Å; V547-V620 HydrophobicContact CG2-CG1 4.4Å; V547-V623 HydrophobicContact CG1-CB 3.87Å; V547-V623 HydrophobicContact CG1-CG1 3.49Å; V547-V623 VanDerWaalsContact CG1-CG1 3.49Å
548	V	69.1	Low	76.6	Confident	68 Å²	68	63.1 Å²	63.1	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-129.5	-24.4	-171.1	-175.5	0	0	0	0	114.4	W544 V623	W544-V548 HydrophobicContact CD2-CB 4.4Å; W544-V548 HydrophobicContact CD2-CG2 4.19Å; W544-V548 HydrophobicContact CE3-CG2 3.81Å; W544-V548 HydrophobicContact CH2-CB 4.31Å; W544-V548 HydrophobicContact CH2-CG1 4.26Å; W544-V548 HydrophobicContact CH2-CG2 3.69Å; W544-V548 HydrophobicContact CZ2-CB 4.18Å; W544-V548 HydrophobicContact CZ2-CG1 4.01Å; W544-V548 HydrophobicContact CZ2-CG2 4.06Å; W544-V548 HydrophobicContact CZ3-CB 4.44Å; W544-V548 HydrophobicContact CZ3-CG2 3.52Å; W544-V548 PolarHBondContact O-N 3.37Å; V548-V623 HydrophobicContact CG2-CG2 4.44Å
549	S	59.8	Low	76.5	Confident	57 Å²	57	70.4 Å²	70.4	40%	0.399	38%	0.375	S	S	.	.			trans	-97.4	133.7	-177.1	-168.4	0	0	0	0	112.3	S545	S545-S549 WeakPolarHBondContact O-CA 3.32Å; S545-S549 WeakPolarHBondContact O-CB 3.29Å; S545-S549 PolarHBondContact O-N 3.25Å; S545-S549 VanDerWaalsContact O-O 3.13Å
550	V	58	Low	76.6	Confident	144 Å²	144	75 Å²	75	87%	0.873	40%	0.399	S	S	*	.			trans	-115.3	-12.6	-172.2	-171.7	0	0	0	0	112.7
551	N	54.9	Low	76.9	Confident	152 Å²	152	75.7 Å²	75.7	81%	0.813	40%	0.402	S	S	*	.			trans	-144.7	54.2	-160.3	-161.7	24.9	0	0	0	115.7
552	I	65.1	Low	77.1	Confident	101 Å²	101	78.1 Å²	78.1	52%	0.518	41%	0.408	S	S	.	.			trans	-136.5	131.4	167.7	-64.5	-178.8	0	0	0	109.7	R557	I552-R557 HydrophobicContact CG2-CB 4.07Å
553	S	74.4	Confident	77.6	Confident	80 Å²	80	82.5 Å²	82.5	56%	0.559	44%	0.435	S	S	*	.			trans	-62.9	136.5	176	57.3	0	0	0	0	112.5	D555 C556 R557	S553-D555 PolarHBondContact O-N 3.14Å; S553-C556 PolarHBondContact O-N 3.01Å; S553-C556 VanDerWaalsContact O-N 3.14Å; S553-C556 WeakPolarHBondContact OG-CB 3.49Å; S553-R557 PolarHBondContact O-N 3.37Å; S553-R557 VanDerWaalsContact O-N 3.13Å
554	E	73.4	Confident	78.1	Confident	119 Å²	119	83.2 Å²	83.2	56%	0.556	44%	0.439	S	S	*	.	H	α-helix	trans	-63.1	-40.2	-166.9	-46.3	-151.7	109.3	0	0	113.1	C556 R557 M558	E554-C556 PolarHBondContact O-N 2.83Å; E554-R557 VanDerWaalsContact CD-NH2 3.32Å; E554-R557 WeakPolarHBondContact O-CB 3.26Å; E554-R557 PolarHBondContact O-N 2.85Å; E554-R557 IonicContact OE1-CZ 2.63Å; E554-R557 IonicContact OE1-NH1 3.46Å; E554-R557 IonicContact OE1-NH2 3.87Å; E554-R557 PolarHBondContact OE1-NH2 2.92Å; E554-M558 PolarHBondContact O-N 3.43Å
555	D	74.9	Confident	78.6	Confident	128 Å²	128	79 Å²	79	68%	0.684	42%	0.423	S	S	*	.	H	α-helix	trans	-62.6	-38.2	176.6	-65	-60.2	0	0	0	113.3	S553 K559	S553-D555 PolarHBondContact O-N 3.14Å; D555-K559 VanDerWaalsContact O-CG 3.31Å; D555-K559 WeakPolarHBondContact O-CG 3.3Å; D555-K559 PolarHBondContact O-N 2.86Å
556	C	80.9	Confident	79.2	Confident	73 Å²	73	81.9 Å²	81.9	49%	0.493	43%	0.432	S	S	.	.	H	α-helix	trans	-70	-40.6	177.9	-168	0	0	0	0	111	S553 E554 K559 L560	S553-C556 PolarHBondContact O-N 3.01Å; S553-C556 VanDerWaalsContact O-N 3.14Å; S553-C556 WeakPolarHBondContact OG-CB 3.49Å; E554-C556 PolarHBondContact O-N 2.83Å; C556-K559 PolarHBondContact O-N 2.84Å; C556-L560 PolarHBondContact O-N 3.04Å; C556-L560 VanDerWaalsContact O-N 3.13Å
557	R	84.2	Confident	80	Confident	29 Å²	29	78 Å²	78	11%	0.109	43%	0.425	C	S	.	.	H	α-helix	trans	-59.9	-47.9	174.6	177.2	175.7	68.8	-136.3	5.3	111.1	D486 I552 S553 E554 L560 Y561	D486-R557 IonicContact OD2-CZ 3.8Å; D486-R557 VanDerWaalsContact OD2-CZ 3.24Å; D486-R557 IonicContact OD2-NE 2.7Å; D486-R557 PolarHBondContact OD2-NE 3.42Å; D486-R557 IonicContact OD2-NH2 2.63Å; D486-R557 PolarHBondContact OD2-NH2 2.81Å; I552-R557 HydrophobicContact CG2-CB 4.07Å; S553-R557 PolarHBondContact O-N 3.37Å; S553-R557 VanDerWaalsContact O-N 3.13Å; E554-R557 VanDerWaalsContact CD-NH2 3.32Å; E554-R557 WeakPolarHBondContact O-CB 3.26Å; E554-R557 PolarHBondContact O-N 2.85Å; E554-R557 IonicContact OE1-CZ 2.63Å; E554-R557 IonicContact OE1-NH1 3.46Å; E554-R557 IonicContact OE1-NH2 3.87Å; E554-R557 PolarHBondContact OE1-NH2 2.92Å; R557-L560 PolarHBondContact O-N 3.35Å; R557-Y561 HydrophobicContact CG-CD2 4.04Å; R557-Y561 HydrophobicContact CG-CE1 4.33Å; R557-Y561 HydrophobicContact CG-CE2 3.42Å; R557-Y561 VanDerWaalsContact CG-CE2 3.42Å; R557-Y561 VanDerWaalsContact O-CG 3.31Å; R557-Y561 PolarHBondContact O-N 2.84Å
558	M	85.9	Confident	80.9	Confident	23 Å²	23	78.6 Å²	78.6	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-66.7	-37.3	178.9	-75.3	-59	-59.9	0	0	113	D486 T489 E554 Y561 Y562	D486-M558 HydrophobicContact CB-CG 4.38Å; D486-M558 HydrophobicContact CB-SD 3.57Å; D486-M558 VanDerWaalsContact CB-SD 3.57Å; T489-M558 HydrophobicContact CG2-CE 3.69Å; E554-M558 PolarHBondContact O-N 3.43Å; M558-Y561 PolarHBondContact O-N 3.35Å; M558-Y561 HydrophobicContact SD-CD2 3.89Å; M558-Y562 HydrophobicContact CE-CD2 4.4Å; M558-Y562 HydrophobicContact CE-CE2 4Å; M558-Y562 WeakPolarHBondContact O-CD2 3.48Å; M558-Y562 PolarHBondContact O-N 3.46Å
559	K	87.8	Confident	82.2	Confident	152 Å²	152	75.3 Å²	75.3	66%	0.661	41%	0.406	S	S	*	.	H	α-helix	trans	-59.5	-46.1	173	-75.8	171.8	-176.9	178.9	0	112	D555 C556 Y561 Y562 V563	D555-K559 VanDerWaalsContact O-CG 3.31Å; D555-K559 WeakPolarHBondContact O-CG 3.3Å; D555-K559 PolarHBondContact O-N 2.86Å; C556-K559 PolarHBondContact O-N 2.84Å; K559-Y561 VanDerWaalsContact C-N 3.33Å; K559-Y561 PolarHBondContact O-N 2.91Å; K559-Y562 PolarHBondContact O-N 3.45Å; K559-V563 PolarHBondContact O-N 3.41Å; K559-V563 VanDerWaalsContact O-N 3.14Å
560	L	89.1	Confident	83.8	Confident	101 Å²	101	76.7 Å²	76.7	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-42.3	175.2	178.4	62	0	0	0	111.7	C556 R557 Y562 V563 I564	C556-L560 PolarHBondContact O-N 3.04Å; C556-L560 VanDerWaalsContact O-N 3.13Å; R557-L560 PolarHBondContact O-N 3.35Å; L560-Y562 PolarHBondContact O-N 3.35Å; L560-V563 PolarHBondContact O-N 3.48Å; L560-I564 HydrophobicContact CD1-CD1 4.19Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CG-CD1 4.02Å; L560-I564 WeakPolarHBondContact O-CG1 3.26Å; L560-I564 PolarHBondContact O-N 3.47Å
561	Y	91	Very high	85.5	Confident	15 Å²	15	75.4 Å²	75.4	6%	0.059	40%	0.399	C	S	.	.	H	α-helix	trans	-63.9	-34.9	176.6	-69	-16.4	0	0	0	113.6	V538 L541 L542 R557 M558 K559 I564 G565	V538-Y561 HydrophobicContact CG1-CD1 4.13Å; V538-Y561 HydrophobicContact CG1-CD2 3.99Å; V538-Y561 HydrophobicContact CG1-CG 3.68Å; V538-Y561 HydrophobicContact CG2-CD1 4.24Å; V538-Y561 HydrophobicContact CG2-CG 4.38Å; L541-Y561 HydrophobicContact CB-CE1 4.12Å; L541-Y561 PolarHBondContact O-OH 3.48Å; L542-Y561 HydrophobicContact CB-CE2 4.16Å; L542-Y561 HydrophobicContact CD1-CE2 3.99Å; R557-Y561 HydrophobicContact CG-CD2 4.04Å; R557-Y561 HydrophobicContact CG-CE1 4.33Å; R557-Y561 HydrophobicContact CG-CE2 3.42Å; R557-Y561 VanDerWaalsContact CG-CE2 3.42Å; R557-Y561 VanDerWaalsContact O-CG 3.31Å; R557-Y561 PolarHBondContact O-N 2.84Å; M558-Y561 PolarHBondContact O-N 3.35Å; M558-Y561 HydrophobicContact SD-CD2 3.89Å; K559-Y561 VanDerWaalsContact C-N 3.33Å; K559-Y561 PolarHBondContact O-N 2.91Å; Y561-I564 PolarHBondContact O-N 3.19Å; Y561-G565 PolarHBondContact O-N 2.9Å
562	Y	91.9	Very high	87.3	Confident	97 Å²	97	69.5 Å²	69.5	38%	0.38	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-37.6	172	-92.2	-80.8	0	0	0	112.8	T489 N493 W535 M558 K559 L560 W566	T489-Y562 HydrophobicContact CG2-CE2 4.08Å; T489-Y562 WeakPolarHBondContact CG2-OH 3.29Å; N493-Y562 PolarHBondContact ND2-OH 2.9Å; W535-Y562 AromaticContact CH2-CD1 3.8Å; W535-Y562 HydrophobicContact CH2-CD1 3.8Å; W535-Y562 HydrophobicContact CH2-CD2 4.16Å; W535-Y562 AromaticContact CH2-CE1 3.87Å; W535-Y562 HydrophobicContact CH2-CE1 3.87Å; W535-Y562 HydrophobicContact CH2-CE2 4.23Å; W535-Y562 AromaticContact CH2-CG 3.94Å; W535-Y562 HydrophobicContact CH2-CG 3.94Å; W535-Y562 AromaticContact CZ2-CD1 3.73Å; W535-Y562 HydrophobicContact CZ2-CD1 3.73Å; W535-Y562 AromaticContact CZ2-CE1 3.85Å; W535-Y562 HydrophobicContact CZ2-CE1 3.85Å; W535-Y562 HydrophobicContact CZ2-CG 4.26Å; M558-Y562 HydrophobicContact CE-CD2 4.4Å; M558-Y562 HydrophobicContact CE-CE2 4Å; M558-Y562 WeakPolarHBondContact O-CD2 3.48Å; M558-Y562 PolarHBondContact O-N 3.46Å; K559-Y562 PolarHBondContact O-N 3.45Å; L560-Y562 PolarHBondContact O-N 3.35Å; Y562-W566 AromaticContact CD1-CD1 3.99Å; Y562-W566 PolarHBondContact O-N 3.45Å; Y562-W566 VanDerWaalsContact O-N 3.09Å
563	V	93.9	Very high	88.5	Confident	95 Å²	95	65.1 Å²	65.1	58%	0.576	35%	0.345	S	S	*	.	I	π-helix	trans	-65.3	-41.3	174.8	173.6	0	0	0	0	111.4	K559 L560 G567 L568	K559-V563 PolarHBondContact O-N 3.41Å; K559-V563 VanDerWaalsContact O-N 3.14Å; L560-V563 PolarHBondContact O-N 3.48Å; V563-G567 CarbonylContact O-C 3.6Å; V563-G567 WeakPolarHBondContact O-CA 3.39Å; V563-G567 PolarHBondContact O-N 2.9Å; V563-L568 PolarHBondContact O-N 2.68Å; V563-L568 VanDerWaalsContact O-N 3.16Å
564	I	92.3	Very high	89.3	Confident	37 Å²	37	62.9 Å²	62.9	19%	0.19	33%	0.334	C	S	.	.	I	π-helix	trans	-68.7	-48.5	175.1	-63.6	167	0	0	0	110.6	C534 L537 V538 L541 L560 Y561 W566 L568 P569	C534-I564 WeakPolarHBondContact CB-O 3.32Å; L537-I564 HydrophobicContact CD2-CG2 4.43Å; V538-I564 HydrophobicContact CG2-CB 3.92Å; V538-I564 HydrophobicContact CG2-CG2 3.75Å; L541-I564 HydrophobicContact CD1-CD1 4.44Å; L560-I564 HydrophobicContact CD1-CD1 4.19Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CG-CD1 4.02Å; L560-I564 WeakPolarHBondContact O-CG1 3.26Å; L560-I564 PolarHBondContact O-N 3.47Å; Y561-I564 PolarHBondContact O-N 3.19Å; I564-W566 PolarHBondContact O-N 3.4Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-P569 WeakPolarHBondContact O-CD 3.49Å
565	G	91.1	Very high	90.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	I	π-helix	trans	-69.3	-31.2	-172	0	0	0	0	0	115.6	W535 Y561 P569	W535-G565 VanDerWaalsContact CD1-O 3.27Å; W535-G565 PolarHBondContact NE1-O 2.84Å; Y561-G565 PolarHBondContact O-N 2.9Å; G565-P569 WeakPolarHBondContact O-CG 3.39Å
566	W	94.9	Very high	90.7	Very high	73 Å²	73	56.5 Å²	56.5	28%	0.277	30%	0.304	S	S	.	.	I	π-helix	trans	-121	-35.2	178	-69.8	116.7	0	0	0	114.2	N493 A497 F528 A531 W535 Y562 I564 P569 V570	N493-W566 PolarHBondContact OD1-NE1 3.34Å; A497-W566 HydrophobicContact CB-CH2 3.92Å; F528-W566 HydrophobicContact CD1-CH2 4.13Å; F528-W566 AromaticContact CD1-CZ3 3.89Å; F528-W566 HydrophobicContact CD1-CZ3 3.89Å; F528-W566 HydrophobicContact CE1-CH2 4.08Å; F528-W566 AromaticContact CE1-CZ3 3.84Å; F528-W566 HydrophobicContact CE1-CZ3 3.84Å; A531-W566 HydrophobicContact CB-CE3 3.71Å; A531-W566 HydrophobicContact CB-CH2 4.25Å; A531-W566 HydrophobicContact CB-CZ3 3.48Å; A531-W566 VanDerWaalsContact CB-CZ3 3.48Å; W535-W566 AromaticContact CE2-CD1 3.76Å; W535-W566 AromaticContact CE2-NE1 3.57Å; W535-W566 AromaticContact CZ2-CD1 3.47Å; W535-W566 VanDerWaalsContact CZ2-CD1 3.47Å; W535-W566 HydrophobicContact CZ2-CG 4.4Å; W535-W566 AromaticContact CZ2-NE1 3.49Å; W535-W566 AromaticContact NE1-CD1 3.45Å; W535-W566 AromaticContact NE1-CD2 3.63Å; W535-W566 AromaticContact NE1-CE2 3.29Å; W535-W566 VanDerWaalsContact NE1-CE2 3.29Å; W535-W566 AromaticContact NE1-CG 3.73Å; W535-W566 AromaticContact NE1-CZ2 3.86Å; W535-W566 AromaticContact NE1-NE1 3.14Å; W535-W566 VanDerWaalsContact NE1-NE1 3.14Å; Y562-W566 AromaticContact CD1-CD1 3.99Å; Y562-W566 PolarHBondContact O-N 3.45Å; Y562-W566 VanDerWaalsContact O-N 3.09Å; I564-W566 PolarHBondContact O-N 3.4Å; W566-P569 WeakPolarHBondContact O-CD 3.28Å; W566-V570 WeakPolarHBondContact O-CG2 3.13Å; W566-V570 PolarHBondContact O-N 3.45Å
567	G	94.3	Very high	91.1	Very high	35 Å²	35	56 Å²	56	36%	0.361	30%	0.296	S	S	.	.	I	π-helix	trans	-70.4	-43.2	-176.9	0	0	0	0	0	113.7	V563 V570 L571	V563-G567 CarbonylContact O-C 3.6Å; V563-G567 WeakPolarHBondContact O-CA 3.39Å; V563-G567 PolarHBondContact O-N 2.9Å; G567-V570 PolarHBondContact O-N 2.94Å; G567-L571 WeakPolarHBondContact O-CB 3.33Å; G567-L571 PolarHBondContact O-N 2.98Å
568	L	93.1	Very high	91.2	Very high	71 Å²	71	59.2 Å²	59.2	37%	0.372	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-44.6	177.4	179.8	62.8	0	0	0	112.9	V563 I564 V570 L571 I572	V563-L568 PolarHBondContact O-N 2.68Å; V563-L568 VanDerWaalsContact O-N 3.16Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; L568-V570 PolarHBondContact O-N 3.21Å; L568-L571 PolarHBondContact O-N 2.84Å; L568-I572 HydrophobicContact CD1-CD1 3.95Å; L568-I572 HydrophobicContact CD1-CG1 4.16Å; L568-I572 HydrophobicContact CG-CD1 3.89Å; L568-I572 WeakPolarHBondContact O-CG1 3.35Å; L568-I572 PolarHBondContact O-N 3.2Å
569	P	94.4	Very high	91.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-54.3	-47.5	170.3	-27.7	32.1	0	0	0	114.1	L527 M530 A531 C534 I564 G565 W566 L571 I572 V573	L527-P569 HydrophobicContact CD1-CB 3.83Å; M530-P569 HydrophobicContact CB-CB 4.1Å; M530-P569 HydrophobicContact CG-CB 3.98Å; M530-P569 HydrophobicContact CG-CG 4.31Å; A531-P569 VanDerWaalsContact CA-CG 3.48Å; A531-P569 HydrophobicContact CB-CB 4.17Å; A531-P569 HydrophobicContact CB-CG 3.92Å; C534-P569 HydrophobicContact CB-CG 3.83Å; I564-P569 WeakPolarHBondContact O-CD 3.49Å; G565-P569 WeakPolarHBondContact O-CG 3.39Å; W566-P569 WeakPolarHBondContact O-CD 3.28Å; P569-L571 VanDerWaalsContact C-N 3.31Å; P569-L571 PolarHBondContact O-N 2.93Å; P569-I572 PolarHBondContact O-N 3.21Å; P569-V573 WeakPolarHBondContact O-CB 3.49Å; P569-V573 WeakPolarHBondContact O-CG2 3.25Å; P569-V573 PolarHBondContact O-N 3.28Å
570	V	95.1	Very high	90.5	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-39.2	179.1	171.2	0	0	0	0	111.1	L527 W566 G567 L568 G574	L527-V570 HydrophobicContact CD1-CG2 3.78Å; W566-V570 WeakPolarHBondContact O-CG2 3.13Å; W566-V570 PolarHBondContact O-N 3.45Å; G567-V570 PolarHBondContact O-N 2.94Å; L568-V570 PolarHBondContact O-N 3.21Å; V570-G574 PolarHBondContact O-N 3.26Å
571	L	93.9	Very high	89.2	Confident	117 Å²	117	62.9 Å²	62.9	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-64.6	-46.7	175.9	179.6	62.4	0	0	0	112.2	G567 L568 P569 L575	G567-L571 WeakPolarHBondContact O-CB 3.33Å; G567-L571 PolarHBondContact O-N 2.98Å; L568-L571 PolarHBondContact O-N 2.84Å; P569-L571 VanDerWaalsContact C-N 3.31Å; P569-L571 PolarHBondContact O-N 2.93Å; L571-L575 VanDerWaalsContact O-CB 3.28Å; L571-L575 WeakPolarHBondContact O-CB 3.34Å; L571-L575 PolarHBondContact O-N 3.41Å
572	I	91.6	Very high	87.9	Confident	29 Å²	29	66.1 Å²	66.1	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-62.7	-52.1	179.5	-68.1	166	0	0	0	110.3	M530 L568 P569 G574 L575 T576 P605	M530-I572 HydrophobicContact CE-CG2 4.24Å; M530-I572 HydrophobicContact CG-CD1 4.11Å; M530-I572 HydrophobicContact SD-CD1 3.92Å; L568-I572 HydrophobicContact CD1-CD1 3.95Å; L568-I572 HydrophobicContact CD1-CG1 4.16Å; L568-I572 HydrophobicContact CG-CD1 3.89Å; L568-I572 WeakPolarHBondContact O-CG1 3.35Å; L568-I572 PolarHBondContact O-N 3.2Å; P569-I572 PolarHBondContact O-N 3.21Å; I572-G574 PolarHBondContact O-N 3.08Å; I572-L575 PolarHBondContact O-N 2.74Å; I572-T576 PolarHBondContact O-N 3.36Å; I572-T576 PolarHBondContact O-OG1 2.8Å; I572-P605 HydrophobicContact CD1-CB 4.27Å; I572-P605 HydrophobicContact CD1-CG 4.32Å
573	V	91.3	Very high	86.8	Confident	9 Å²	9	68.4 Å²	68.4	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-43	-178.2	176.5	0	0	0	0	111.2	H526 L527 P569 L575 T576 L577	H526-V573 HydrophobicContact CB-CG2 4.34Å; L527-V573 HydrophobicContact CB-CG2 4.23Å; L527-V573 HydrophobicContact CD1-CG2 4.33Å; P569-V573 WeakPolarHBondContact O-CB 3.49Å; P569-V573 WeakPolarHBondContact O-CG2 3.25Å; P569-V573 PolarHBondContact O-N 3.28Å; V573-L575 PolarHBondContact O-N 3.42Å; V573-T576 PolarHBondContact O-N 2.84Å; V573-L577 HydrophobicContact CG1-CD1 3.85Å; V573-L577 HydrophobicContact CG1-CG 4.34Å; V573-L577 WeakPolarHBondContact O-CB 3.49Å; V573-L577 VanDerWaalsContact O-CG 3.29Å; V573-L577 WeakPolarHBondContact O-CG 3.36Å; V573-L577 PolarHBondContact O-N 3.47Å
574	G	90.6	Very high	85.9	Confident	32 Å²	32	64.1 Å²	64.1	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.9	0	0	0	0	0	112.9	V570 I572 L577 V578	V570-G574 PolarHBondContact O-N 3.26Å; I572-G574 PolarHBondContact O-N 3.08Å; G574-L577 PolarHBondContact O-N 2.82Å; G574-V578 WeakPolarHBondContact O-CG2 3.28Å; G574-V578 PolarHBondContact O-N 3.39Å; G574-V578 VanDerWaalsContact O-N 3.16Å
575	L	90.2	Very high	85.2	Confident	101 Å²	101	63.9 Å²	63.9	53%	0.529	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-44.3	175.6	-176.7	60.1	0	0	0	111.6	L571 I572 V573 L577 V578 I579	L571-L575 VanDerWaalsContact O-CB 3.28Å; L571-L575 WeakPolarHBondContact O-CB 3.34Å; L571-L575 PolarHBondContact O-N 3.41Å; I572-L575 PolarHBondContact O-N 2.74Å; V573-L575 PolarHBondContact O-N 3.42Å; L575-L577 VanDerWaalsContact C-N 3.35Å; L575-L577 PolarHBondContact O-N 3.48Å; L575-V578 PolarHBondContact O-N 2.88Å; L575-I579 HydrophobicContact CD1-CD1 3.9Å; L575-I579 HydrophobicContact CD1-CG1 4.37Å; L575-I579 HydrophobicContact CG-CD1 3.86Å; L575-I579 WeakPolarHBondContact O-CG1 3.31Å; L575-I579 PolarHBondContact O-N 3.33Å; L575-I579 VanDerWaalsContact O-N 3.07Å
576	T	88.1	Confident	84.1	Confident	12 Å²	12	64.9 Å²	64.9	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-41.4	177	-53.4	0	0	0	0	111.9	I572 V573 V578 I579 S580 Y584 T598 A601	I572-T576 PolarHBondContact O-N 3.36Å; I572-T576 PolarHBondContact O-OG1 2.8Å; V573-T576 PolarHBondContact O-N 2.84Å; T576-V578 VanDerWaalsContact C-N 3.35Å; T576-V578 PolarHBondContact O-N 3.32Å; T576-I579 PolarHBondContact O-N 3.43Å; T576-S580 WeakPolarHBondContact O-CB 3.45Å; T576-S580 PolarHBondContact O-N 3.42Å; T576-Y584 HydrophobicContact CG2-CD2 4.06Å; T576-Y584 HydrophobicContact CG2-CE2 3.75Å; T576-T598 HydrophobicContact CG2-CG2 3.93Å; T576-A601 HydrophobicContact CG2-CB 3.75Å; T576-A601 WeakPolarHBondContact OG1-CB 3.3Å
577	L	87.7	Confident	82.5	Confident	62 Å²	62	69 Å²	69	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-34.4	176.4	-74.2	167.9	0	0	0	113.1	F519 V573 G574 L575 Y584	F519-L577 HydrophobicContact CE2-CD2 4.21Å; F519-L577 HydrophobicContact CZ-CD2 3.79Å; V573-L577 HydrophobicContact CG1-CD1 3.85Å; V573-L577 HydrophobicContact CG1-CG 4.34Å; V573-L577 WeakPolarHBondContact O-CB 3.49Å; V573-L577 VanDerWaalsContact O-CG 3.29Å; V573-L577 WeakPolarHBondContact O-CG 3.36Å; V573-L577 PolarHBondContact O-N 3.47Å; G574-L577 PolarHBondContact O-N 2.82Å; L575-L577 VanDerWaalsContact C-N 3.35Å; L575-L577 PolarHBondContact O-N 3.48Å; L577-Y584 HydrophobicContact CD2-CD1 3.88Å; L577-Y584 HydrophobicContact CD2-CD2 3.77Å; L577-Y584 HydrophobicContact CD2-CE1 3.77Å; L577-Y584 HydrophobicContact CD2-CE2 3.65Å; L577-Y584 HydrophobicContact CD2-CG 3.89Å; L577-Y584 HydrophobicContact CG-CD2 4.39Å; L577-Y584 HydrophobicContact CG-CE2 3.96Å
578	V	86.6	Confident	81	Confident	98 Å²	98	73 Å²	73	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-73.3	-33.7	177	169	0	0	0	0	112.1	G574 L575 T576	G574-V578 WeakPolarHBondContact O-CG2 3.28Å; G574-V578 PolarHBondContact O-N 3.39Å; G574-V578 VanDerWaalsContact O-N 3.16Å; L575-V578 PolarHBondContact O-N 2.88Å; T576-V578 VanDerWaalsContact C-N 3.35Å; T576-V578 PolarHBondContact O-N 3.32Å
579	I	85.1	Confident	80	Confident	117 Å²	117	74.8 Å²	74.8	60%	0.6	40%	0.4	S	S	*	.	H	α-helix	trans	-79.7	-53.1	179.8	-66.6	170.1	0	0	0	111.3	L575 T576 R581	L575-I579 HydrophobicContact CD1-CD1 3.9Å; L575-I579 HydrophobicContact CD1-CG1 4.37Å; L575-I579 HydrophobicContact CG-CD1 3.86Å; L575-I579 WeakPolarHBondContact O-CG1 3.31Å; L575-I579 PolarHBondContact O-N 3.33Å; L575-I579 VanDerWaalsContact O-N 3.07Å; T576-I579 PolarHBondContact O-N 3.43Å; I579-R581 PolarHBondContact O-N 3.45Å
580	S	74.6	Confident	79.3	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.133	40%	0.403	C	S	.	.	S	Bend	trans	-80.4	59.5	-173.1	-64.5	0	0	0	0	113.2	T576 G582 K583 T598	T576-S580 WeakPolarHBondContact O-CB 3.45Å; T576-S580 PolarHBondContact O-N 3.42Å; S580-G582 PolarHBondContact O-N 3.1Å; S580-K583 PolarHBondContact O-N 2.92Å; S580-T598 WeakPolarHBondContact OG-CG2 2.95Å; S580-T598 PolarHBondContact OG-OG1 2.82Å
581	R	60.9	Low	78.6	Confident	216 Å²	216	74.7 Å²	74.7	82%	0.815	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	101.7	177.7	-64.5	-175.9	-176.9	-179.7	-0.1	111.3	I579 K583	I579-R581 PolarHBondContact O-N 3.45Å; R581-K583 VanDerWaalsContact C-N 3.33Å; R581-K583 PolarHBondContact O-N 3.16Å
582	G	64.3	Low	77.7	Confident	83 Å²	83	69.3 Å²	69.3	86%	0.856	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-19.5	176.6	0	0	0	0	0	116.1	S580	S580-G582 PolarHBondContact O-N 3.1Å
583	K	68.3	Low	76.7	Confident	146 Å²	146	68.4 Å²	68.4	64%	0.635	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	18.2	-177.5	-63	-166.5	176.3	-168.5	0	114.7	S580 R581 S593 T596	S580-K583 PolarHBondContact O-N 2.92Å; R581-K583 VanDerWaalsContact C-N 3.33Å; R581-K583 PolarHBondContact O-N 3.16Å; K583-S593 WeakPolarHBondContact O-CB 3.08Å; K583-T596 HydrophobicContact CB-CG2 4.42Å; K583-T596 HydrophobicContact CD-CG2 4.2Å
584	Y	76.3	Confident	75.3	Confident	4 Å²	4	71 Å²	71	2%	0.016	38%	0.375	C	S	.	.	S	Bend	trans	-74.3	-44.7	-172.1	-176	-96.6	0	0	0	113.8	F519 T522 A523 H526 T576 L577 L592 S593 T598	F519-Y584 HydrophobicContact CD2-CD1 4.35Å; F519-Y584 AromaticContact CE2-CD1 3.95Å; F519-Y584 HydrophobicContact CE2-CD1 3.95Å; F519-Y584 HydrophobicContact CE2-CG 4.42Å; T522-Y584 HydrophobicContact CG2-CD1 4.21Å; T522-Y584 HydrophobicContact CG2-CE1 3.86Å; A523-Y584 HydrophobicContact CB-CE1 4.29Å; H526-Y584 WeakPolarHBondContact CB-OH 3.21Å; H526-Y584 AromaticContact ND1-CZ 3.85Å; H526-Y584 PolarHBondContact ND1-OH 2.89Å; T576-Y584 HydrophobicContact CG2-CD2 4.06Å; T576-Y584 HydrophobicContact CG2-CE2 3.75Å; L577-Y584 HydrophobicContact CD2-CD1 3.88Å; L577-Y584 HydrophobicContact CD2-CD2 3.77Å; L577-Y584 HydrophobicContact CD2-CE1 3.77Å; L577-Y584 HydrophobicContact CD2-CE2 3.65Å; L577-Y584 HydrophobicContact CD2-CG 3.89Å; L577-Y584 HydrophobicContact CG-CD2 4.39Å; L577-Y584 HydrophobicContact CG-CE2 3.96Å; Y584-L592 HydrophobicContact CD1-CD1 4.2Å; Y584-L592 HydrophobicContact CD2-CD1 3.87Å; Y584-L592 HydrophobicContact CE1-CD1 3.88Å; Y584-L592 HydrophobicContact CE2-CD1 3.53Å; Y584-L592 HydrophobicContact CG-CD1 4.18Å; Y584-L592 WeakPolarHBondContact O-CD1 3.4Å; Y584-S593 PolarHBondContact O-N 3.26Å; Y584-T598 HydrophobicContact CD2-CG2 4.32Å
585	K	77.8	Confident	73.6	Confident	33 Å²	33	75.6 Å²	75.6	14%	0.143	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-97.2	160.6	178	71.8	167.7	-156.7	81.6	0	111.8	F519 T522 W591	F519-K585 HydrophobicContact CB-CD 4.39Å; T522-K585 HydrophobicContact CG2-CB 4.26Å; K585-W591 CarbonylContact C-O 3.53Å; K585-W591 WeakPolarHBondContact CA-O 3.33Å
586	S	67.7	Low	72.2	Confident	21 Å²	21	72.4 Å²	72.4	15%	0.147	37%	0.373	C	S	.	.			trans	-70.2	166.5	166.3	-150.3	0	0	0	0	111.9	H589 W591	S586-H589 WeakPolarHBondContact CB-O 3.29Å; S586-W591 PolarHBondContact N-O 3.14Å
587	H	61.5	Low	71.1	Confident	158 Å²	158	78.3 Å²	78.3	73%	0.731	40%	0.404	S	S	*	.	S	Bend	trans	-74.2	-46.9	173.1	-79.9	-95.6	0	0	0	111
588	D	61.5	Low	70.5	Confident	121 Å²	121	76 Å²	76	65%	0.647	39%	0.393	S	S	*	.	S	Bend	trans	-99.8	-17.1	-161.7	-36.4	-77.1	0	0	0	113.9
589	H	71.9	Confident	70.1	Confident	107 Å²	107	72.5 Å²	72.5	50%	0.495	37%	0.37	S	S	.	.	S	Bend	trans	-138.1	150.6	179.8	-50.1	-50.3	0	0	0	111.6	E452 S586 W591	E452-H589 IonicContact OE1-CE1 2.7Å; S586-H589 WeakPolarHBondContact CB-O 3.29Å; H589-W591 PolarHBondContact O-N 3.14Å
590	C	80.3	Confident	70	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.054	37%	0.37	C	S	.	.	S	Bend	trans	-80.9	48.1	179.6	-55.9	0	0	0	0	114	A512 C518 T522	A512-C590 WeakPolarHBondContact CA-SG 3.29Å; C518-C590 WeakPolarHBondContact CA-SG 3.34Å; C518-C590 HydrophobicContact CB-CB 4.12Å; C518-C590 WeakPolarHBondContact CB-SG 3.49Å; C518-C590 WeakPolarHBondContact SG-CA 3.49Å; C518-C590 WeakPolarHBondContact SG-CB 3.33Å; C518-C590 CovalentContact SG-SG 2.04Å; C518-C590 PolarHBondContact SG-SG 3.46Å; T522-C590 PolarHBondContact OG1-O 3.05Å
591	W	80	Confident	70.5	Confident	76 Å²	76	75 Å²	75	29%	0.288	38%	0.375	S	S	.	.	S	Bend	trans	-120.6	169.1	174.4	-169.8	-107.5	0	0	0	111.7	L505 T522 L525 F529 K585 S586 H589 F602	L505-W591 HydrophobicContact CD2-CZ3 4.32Å; T522-W591 VanDerWaalsContact CG2-C 3.41Å; L525-W591 HydrophobicContact CB-CE3 4.5Å; L525-W591 HydrophobicContact CB-CZ3 4.01Å; L525-W591 HydrophobicContact CD1-CE3 4.12Å; L525-W591 HydrophobicContact CD1-CZ3 4.23Å; F529-W591 AromaticContact CD2-CH2 3.87Å; F529-W591 HydrophobicContact CD2-CH2 3.87Å; F529-W591 HydrophobicContact CD2-CZ3 4.08Å; F529-W591 HydrophobicContact CE2-CH2 4.14Å; F529-W591 HydrophobicContact CE2-CZ3 4.06Å; K585-W591 CarbonylContact C-O 3.53Å; K585-W591 WeakPolarHBondContact CA-O 3.33Å; S586-W591 PolarHBondContact N-O 3.14Å; H589-W591 PolarHBondContact O-N 3.14Å; W591-F602 HydrophobicContact CZ2-CD1 4.47Å; W591-F602 HydrophobicContact CZ2-CE1 4.12Å; W591-F602 HydrophobicContact CZ2-CZ 4.45Å
592	L	74.9	Confident	71.6	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-63.9	137.7	176.4	-160.2	76.6	0	0	0	109.9	Y584 V594 T598 I599 F602	Y584-L592 HydrophobicContact CD1-CD1 4.2Å; Y584-L592 HydrophobicContact CD2-CD1 3.87Å; Y584-L592 HydrophobicContact CE1-CD1 3.88Å; Y584-L592 HydrophobicContact CE2-CD1 3.53Å; Y584-L592 HydrophobicContact CG-CD1 4.18Å; Y584-L592 WeakPolarHBondContact O-CD1 3.4Å; L592-V594 PolarHBondContact O-N 3.26Å; L592-T598 HydrophobicContact CD1-CG2 3.93Å; L592-T598 HydrophobicContact CD2-CG2 4.25Å; L592-T598 HydrophobicContact CG-CG2 4Å; L592-I599 HydrophobicContact CD2-CD1 4.32Å; L592-F602 HydrophobicContact CD2-CB 3.93Å
593	S	70.4	Confident	72.6	Confident	10 Å²	10	62.9 Å²	62.9	7%	0.07	31%	0.307	C	S	.	.			trans	-62.3	118.1	-177.1	179	0	0	0	0	112	K583 Y584 T596	K583-S593 WeakPolarHBondContact O-CB 3.08Å; Y584-S593 PolarHBondContact O-N 3.26Å; S593-T596 WeakPolarHBondContact CB-OG1 3.41Å; S593-T596 PolarHBondContact OG-OG1 3.48Å
594	V	62.7	Low	73.5	Confident	62 Å²	62	57.2 Å²	57.2	38%	0.376	29%	0.291	S	S	.	.	S	Bend	trans	-81.5	-30.7	178.5	-178.8	0	0	0	0	112	L592 T596 I599	L592-V594 PolarHBondContact O-N 3.26Å; V594-T596 PolarHBondContact O-N 2.96Å; V594-T596 VanDerWaalsContact O-N 3.17Å; V594-I599 HydrophobicContact CG2-CD1 4.34Å
595	Q	55.5	Low	74.1	Confident	130 Å²	130	58.6 Å²	58.6	61%	0.607	30%	0.3	S	S	*	.	S	Bend	trans	-76.1	6.6	179.4	-65.6	164	-0.8	0	0	113.4	I387	I387-Q595 VanDerWaalsContact CD1-NE2 3.28Å
596	T	59.8	Low	74.5	Confident	33 Å²	33	57.2 Å²	57.2	20%	0.202	29%	0.294	C	S	.	.	S	Bend	trans	-132.3	153.1	175.1	66.9	0	0	0	0	110.1	K583 S593 V594 T598 I599	K583-T596 HydrophobicContact CB-CG2 4.42Å; K583-T596 HydrophobicContact CD-CG2 4.2Å; S593-T596 WeakPolarHBondContact CB-OG1 3.41Å; S593-T596 PolarHBondContact OG-OG1 3.48Å; V594-T596 PolarHBondContact O-N 2.96Å; V594-T596 VanDerWaalsContact O-N 3.17Å; T596-T598 PolarHBondContact O-N 3.49Å; T596-T598 WeakPolarHBondContact OG1-CB 3.16Å; T596-T598 PolarHBondContact OG1-OG1 2.96Å; T596-I599 PolarHBondContact O-N 3.42Å; T596-I599 VanDerWaalsContact O-N 3.16Å
597	D	66.6	Low	75.5	Confident	136 Å²	136	59.2 Å²	59.2	73%	0.727	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.1	-10.7	179.8	-59.2	-66.4	0	0	0	114.2	I599 W600	D597-I599 PolarHBondContact O-N 2.68Å; D597-I599 VanDerWaalsContact O-N 3.11Å; D597-W600 WeakPolarHBondContact O-CB 3.36Å; D597-W600 PolarHBondContact O-N 2.96Å
598	T	73.6	Confident	76.8	Confident	14 Å²	14	57.1 Å²	57.1	9%	0.086	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-46.8	-35	168.6	-47.7	0	0	0	0	112.6	T576 S580 Y584 L592 T596 W600 A601	T576-T598 HydrophobicContact CG2-CG2 3.93Å; S580-T598 WeakPolarHBondContact OG-CG2 2.95Å; S580-T598 PolarHBondContact OG-OG1 2.82Å; Y584-T598 HydrophobicContact CD2-CG2 4.32Å; L592-T598 HydrophobicContact CD1-CG2 3.93Å; L592-T598 HydrophobicContact CD2-CG2 4.25Å; L592-T598 HydrophobicContact CG-CG2 4Å; T596-T598 PolarHBondContact O-N 3.49Å; T596-T598 WeakPolarHBondContact OG1-CB 3.16Å; T596-T598 PolarHBondContact OG1-OG1 2.96Å; T598-W600 PolarHBondContact O-N 2.81Å; T598-A601 VanDerWaalsContact O-CB 3.29Å; T598-A601 WeakPolarHBondContact O-CB 3.42Å; T598-A601 PolarHBondContact O-N 3.29Å
599	I	79.6	Confident	78	Confident	24 Å²	24	51.9 Å²	51.9	12%	0.123	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.5	-30.1	179.3	-167.1	57	0	0	0	113.4	L592 V594 T596 D597 A601 F602 V603	L592-I599 HydrophobicContact CD2-CD1 4.32Å; V594-I599 HydrophobicContact CG2-CD1 4.34Å; T596-I599 PolarHBondContact O-N 3.42Å; T596-I599 VanDerWaalsContact O-N 3.16Å; D597-I599 PolarHBondContact O-N 2.68Å; D597-I599 VanDerWaalsContact O-N 3.11Å; I599-A601 VanDerWaalsContact C-N 3.25Å; I599-A601 PolarHBondContact O-N 2.86Å; I599-F602 PolarHBondContact O-N 3.38Å; I599-F602 VanDerWaalsContact O-N 3.12Å; I599-V603 HydrophobicContact CD1-CG2 4.26Å; I599-V603 HydrophobicContact CG1-CG2 4.01Å; I599-V603 PolarHBondContact O-N 3.06Å
600	W	83.1	Confident	78.6	Confident	159 Å²	159	47.6 Å²	47.6	60%	0.602	25%	0.25	S	C	*	.	H	α-helix	trans	-67.6	-23.7	176.4	-74.5	105.6	0	0	0	113.4	D597 T598 F602 V603 G604	D597-W600 WeakPolarHBondContact O-CB 3.36Å; D597-W600 PolarHBondContact O-N 2.96Å; T598-W600 PolarHBondContact O-N 2.81Å; W600-F602 PolarHBondContact O-N 3.43Å; W600-V603 HydrophobicContact CE3-CG1 4.44Å; W600-V603 HydrophobicContact CZ3-CG1 4.34Å; W600-G604 WeakPolarHBondContact O-CA 3.24Å; W600-G604 PolarHBondContact O-N 3.48Å
601	A	83.8	Confident	78.9	Confident	29 Å²	29	51 Å²	51	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-22.2	173.8	0	0	0	0	0	112.7	T576 T598 I599 P605	T576-A601 HydrophobicContact CG2-CB 3.75Å; T576-A601 WeakPolarHBondContact OG1-CB 3.3Å; T598-A601 VanDerWaalsContact O-CB 3.29Å; T598-A601 WeakPolarHBondContact O-CB 3.42Å; T598-A601 PolarHBondContact O-N 3.29Å; I599-A601 VanDerWaalsContact C-N 3.25Å; I599-A601 PolarHBondContact O-N 2.86Å; A601-P605 WeakPolarHBondContact O-CD 3.41Å; A601-P605 WeakPolarHBondContact O-CG 3.23Å
602	F	84.4	Confident	79.3	Confident	18 Å²	18	50.1 Å²	50.1	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-92.5	-54.5	169.5	178.3	-112.8	0	0	0	111.5	H526 F529 M530 F533 W591 L592 I599 W600 G604 P605 V606	H526-F602 AromaticContact CD2-CD2 3.62Å; H526-F602 AromaticContact NE2-CD2 3.9Å; F529-F602 HydrophobicContact CB-CE2 3.91Å; F529-F602 HydrophobicContact CB-CZ 4.21Å; M530-F602 HydrophobicContact CE-CD2 3.82Å; M530-F602 HydrophobicContact CE-CE2 4.45Å; F533-F602 HydrophobicContact CE2-CE2 4.2Å; F533-F602 AromaticContact CE2-CZ 4Å; F533-F602 HydrophobicContact CE2-CZ 4Å; W591-F602 HydrophobicContact CZ2-CD1 4.47Å; W591-F602 HydrophobicContact CZ2-CE1 4.12Å; W591-F602 HydrophobicContact CZ2-CZ 4.45Å; L592-F602 HydrophobicContact CD2-CB 3.93Å; I599-F602 PolarHBondContact O-N 3.38Å; I599-F602 VanDerWaalsContact O-N 3.12Å; W600-F602 PolarHBondContact O-N 3.43Å; F602-G604 PolarHBondContact O-N 3.4Å; F602-P605 WeakPolarHBondContact O-CD 3.42Å; F602-V606 HydrophobicContact CD2-CG2 4.4Å; F602-V606 HydrophobicContact CE1-CG2 4.46Å; F602-V606 HydrophobicContact CE2-CG2 4.13Å; F602-V606 HydrophobicContact CZ-CG2 4.17Å; F602-V606 VanDerWaalsContact O-CG2 3.28Å; F602-V606 WeakPolarHBondContact O-CG2 3.47Å; F602-V606 PolarHBondContact O-N 2.99Å
603	V	85.2	Confident	79.7	Confident	27 Å²	27	49.9 Å²	49.9	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-37.5	-171.1	174.8	0	0	0	0	112.8	I599 W600 V606 I607 V671	I599-V603 HydrophobicContact CD1-CG2 4.26Å; I599-V603 HydrophobicContact CG1-CG2 4.01Å; I599-V603 PolarHBondContact O-N 3.06Å; W600-V603 HydrophobicContact CE3-CG1 4.44Å; W600-V603 HydrophobicContact CZ3-CG1 4.34Å; V603-V606 PolarHBondContact O-N 3.35Å; V603-I607 HydrophobicContact CG1-CD1 3.67Å; V603-I607 HydrophobicContact CG1-CG1 4.27Å; V603-I607 WeakPolarHBondContact O-CG1 3.26Å; V603-I607 PolarHBondContact O-N 3.14Å; V603-V671 HydrophobicContact CG1-CG1 4.49Å
604	G	87.4	Confident	80.4	Confident	28 Å²	28	51.7 Å²	51.7	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-56.2	179.5	0	0	0	0	0	113.3	W600 F602 V606 I607 L608	W600-G604 WeakPolarHBondContact O-CA 3.24Å; W600-G604 PolarHBondContact O-N 3.48Å; F602-G604 PolarHBondContact O-N 3.4Å; G604-V606 VanDerWaalsContact C-N 3.27Å; G604-V606 PolarHBondContact O-N 3.07Å; G604-I607 PolarHBondContact O-N 3.19Å; G604-L608 PolarHBondContact O-N 3.12Å
605	P	88.6	Confident	81.5	Confident	33 Å²	33	52.8 Å²	52.8	21%	0.214	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-35.3	174	-27.9	36.4	0	0	0	113.8	M530 I572 A601 F602 L608 V609	M530-P605 HydrophobicContact CE-CB 3.9Å; M530-P605 HydrophobicContact CE-CG 4.24Å; M530-P605 HydrophobicContact SD-CB 3.85Å; I572-P605 HydrophobicContact CD1-CB 4.27Å; I572-P605 HydrophobicContact CD1-CG 4.32Å; A601-P605 WeakPolarHBondContact O-CD 3.41Å; A601-P605 WeakPolarHBondContact O-CG 3.23Å; F602-P605 WeakPolarHBondContact O-CD 3.42Å; P605-L608 PolarHBondContact O-N 2.95Å; P605-V609 WeakPolarHBondContact O-CG2 3.38Å; P605-V609 PolarHBondContact O-N 2.99Å
606	V	86.7	Confident	82.8	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-52.6	174.7	168.8	0	0	0	0	111.1	F533 F602 V603 G604 L608 V609 L610	F533-V606 HydrophobicContact CD1-CG1 4.31Å; F533-V606 HydrophobicContact CD1-CG2 4.28Å; F533-V606 HydrophobicContact CD2-CG2 3.58Å; F533-V606 HydrophobicContact CE1-CB 4.44Å; F533-V606 HydrophobicContact CE1-CG1 3.67Å; F533-V606 HydrophobicContact CE1-CG2 4.12Å; F533-V606 HydrophobicContact CE2-CB 4.47Å; F533-V606 HydrophobicContact CE2-CG1 4.26Å; F533-V606 HydrophobicContact CE2-CG2 3.39Å; F533-V606 HydrophobicContact CG-CG2 4.05Å; F533-V606 HydrophobicContact CZ-CB 4.3Å; F533-V606 HydrophobicContact CZ-CG1 3.63Å; F533-V606 HydrophobicContact CZ-CG2 3.66Å; F602-V606 HydrophobicContact CD2-CG2 4.4Å; F602-V606 HydrophobicContact CE1-CG2 4.46Å; F602-V606 HydrophobicContact CE2-CG2 4.13Å; F602-V606 HydrophobicContact CZ-CG2 4.17Å; F602-V606 VanDerWaalsContact O-CG2 3.28Å; F602-V606 WeakPolarHBondContact O-CG2 3.47Å; F602-V606 PolarHBondContact O-N 2.99Å; V603-V606 PolarHBondContact O-N 3.35Å; G604-V606 VanDerWaalsContact C-N 3.27Å; G604-V606 PolarHBondContact O-N 3.07Å; V606-L608 PolarHBondContact O-N 2.63Å; V606-V609 PolarHBondContact O-N 2.89Å; V606-V609 VanDerWaalsContact O-N 3.13Å; V606-L610 HydrophobicContact CG1-CD1 3.9Å; V606-L610 HydrophobicContact CG1-CG 4.24Å; V606-L610 VanDerWaalsContact O-CG 3.27Å; V606-L610 WeakPolarHBondContact O-CG 3.35Å; V606-L610 PolarHBondContact O-N 3.26Å
607	I	87.3	Confident	83.8	Confident	64 Å²	64	46.6 Å²	46.6	33%	0.328	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-38.3	178.3	-68.5	170.2	0	0	0	111.3	V603 G604 T611 V671	V603-I607 HydrophobicContact CG1-CD1 3.67Å; V603-I607 HydrophobicContact CG1-CG1 4.27Å; V603-I607 WeakPolarHBondContact O-CG1 3.26Å; V603-I607 PolarHBondContact O-N 3.14Å; G604-I607 PolarHBondContact O-N 3.19Å; I607-T611 WeakPolarHBondContact O-CB 3.34Å; I607-T611 PolarHBondContact O-N 2.9Å; I607-T611 PolarHBondContact O-OG1 3.4Å; I607-V671 HydrophobicContact CD1-CG1 4.48Å
608	L	89	Confident	84.5	Confident	114 Å²	114	43.9 Å²	43.9	60%	0.597	26%	0.255	S	S	*	.	H	α-helix	trans	-63.2	-48.1	174.9	-179.5	62.1	0	0	0	112	G604 P605 V606 T611 V612	G604-L608 PolarHBondContact O-N 3.12Å; P605-L608 PolarHBondContact O-N 2.95Å; V606-L608 PolarHBondContact O-N 2.63Å; L608-T611 PolarHBondContact O-N 3.23Å; L608-V612 HydrophobicContact CD1-CG2 4.24Å; L608-V612 WeakPolarHBondContact O-CG2 3.43Å; L608-V612 PolarHBondContact O-N 2.83Å
609	V	87.3	Confident	85	Confident	11 Å²	11	50.7 Å²	50.7	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-45.8	176.8	164.5	0	0	0	0	111.5	F533 L537 P605 V606 T611 V612 N613	F533-V609 HydrophobicContact CB-CG1 4.18Å; F533-V609 HydrophobicContact CD1-CG1 4.25Å; F533-V609 WeakPolarHBondContact O-CG1 3.25Å; L537-V609 HydrophobicContact CB-CG1 4.21Å; L537-V609 HydrophobicContact CD2-CG2 4.36Å; P605-V609 WeakPolarHBondContact O-CG2 3.38Å; P605-V609 PolarHBondContact O-N 2.99Å; V606-V609 PolarHBondContact O-N 2.89Å; V606-V609 VanDerWaalsContact O-N 3.13Å; V609-T611 VanDerWaalsContact C-N 3.34Å; V609-T611 PolarHBondContact O-N 2.84Å; V609-V612 PolarHBondContact O-N 3.3Å; V609-N613 VanDerWaalsContact O-CB 3.32Å; V609-N613 WeakPolarHBondContact O-CB 3.46Å; V609-N613 PolarHBondContact O-N 3.47Å; V609-N613 PolarHBondContact O-ND2 2.95Å
610	L	85.3	Confident	85	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-47	176.6	-68.3	177.3	0	0	0	111.1	V606 N613 A614 L663 W667 M668	V606-L610 HydrophobicContact CG1-CD1 3.9Å; V606-L610 HydrophobicContact CG1-CG 4.24Å; V606-L610 VanDerWaalsContact O-CG 3.27Å; V606-L610 WeakPolarHBondContact O-CG 3.35Å; V606-L610 PolarHBondContact O-N 3.26Å; L610-N613 PolarHBondContact O-N 3.39Å; L610-A614 WeakPolarHBondContact O-CB 3.42Å; L610-A614 PolarHBondContact O-N 3.13Å; L610-L663 WeakPolarHBondContact CD2-O 3.48Å; L610-W667 HydrophobicContact CD2-CB 4.49Å; L610-M668 HydrophobicContact CD1-CE 3.76Å; L610-M668 HydrophobicContact CD1-CG 4.26Å; L610-M668 HydrophobicContact CD1-SD 4.13Å
611	T	86.3	Confident	84.7	Confident	80 Å²	80	43.8 Å²	43.8	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-48.2	-179.8	-57.6	0	0	0	0	111.8	I607 L608 V609 N613 A614 V615	I607-T611 WeakPolarHBondContact O-CB 3.34Å; I607-T611 PolarHBondContact O-N 2.9Å; I607-T611 PolarHBondContact O-OG1 3.4Å; L608-T611 PolarHBondContact O-N 3.23Å; V609-T611 VanDerWaalsContact C-N 3.34Å; V609-T611 PolarHBondContact O-N 2.84Å; T611-N613 PolarHBondContact O-N 3.46Å; T611-A614 PolarHBondContact O-N 3.13Å; T611-V615 WeakPolarHBondContact O-CG2 3.41Å; T611-V615 PolarHBondContact O-N 3.01Å
612	V	87.1	Confident	84.6	Confident	56 Å²	56	48.6 Å²	48.6	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-43.3	178.9	173.6	0	0	0	0	111	L537 L608 V609 V615 V616	L537-V612 HydrophobicContact CD1-CB 4.17Å; L537-V612 HydrophobicContact CD1-CG1 3.61Å; L608-V612 HydrophobicContact CD1-CG2 4.24Å; L608-V612 WeakPolarHBondContact O-CG2 3.43Å; L608-V612 PolarHBondContact O-N 2.83Å; V609-V612 PolarHBondContact O-N 3.3Å; V612-V615 PolarHBondContact O-N 2.85Å; V612-V616 HydrophobicContact CG1-CG2 4.48Å; V612-V616 WeakPolarHBondContact O-CB 3.21Å; V612-V616 WeakPolarHBondContact O-CG2 3.12Å; V612-V616 PolarHBondContact O-N 2.99Å
613	N	84.7	Confident	84.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-36.1	177.9	-81.2	-32.3	0	0	0	113.2	L537 V609 L610 T611 V616 L617 L663	L537-N613 WeakPolarHBondContact CA-ND2 3.27Å; V609-N613 VanDerWaalsContact O-CB 3.32Å; V609-N613 WeakPolarHBondContact O-CB 3.46Å; V609-N613 PolarHBondContact O-N 3.47Å; V609-N613 PolarHBondContact O-ND2 2.95Å; L610-N613 PolarHBondContact O-N 3.39Å; T611-N613 PolarHBondContact O-N 3.46Å; N613-V616 PolarHBondContact O-N 2.97Å; N613-L617 WeakPolarHBondContact O-CB 3.34Å; N613-L617 PolarHBondContact O-N 3.01Å; N613-L663 HydrophobicContact CB-CD1 3.92Å; N613-L663 HydrophobicContact CB-CD2 3.51Å; N613-L663 HydrophobicContact CB-CG 4.35Å
614	A	83.8	Confident	83.8	Confident	48 Å²	48	49.8 Å²	49.8	40%	0.397	28%	0.283	S	S	.	.	H	α-helix	trans	-62.5	-46.7	172.8	0	0	0	0	0	111.3	L610 T611 V616 L617 C618	L610-A614 WeakPolarHBondContact O-CB 3.42Å; L610-A614 PolarHBondContact O-N 3.13Å; T611-A614 PolarHBondContact O-N 3.13Å; A614-V616 VanDerWaalsContact C-N 3.35Å; A614-V616 PolarHBondContact O-N 2.82Å; A614-L617 PolarHBondContact O-N 3.37Å; A614-C618 WeakPolarHBondContact O-CB 3.25Å; A614-C618 PolarHBondContact O-N 3.29Å; A614-C618 PolarHBondContact O-SG 3.26Å; A614-C618 VanDerWaalsContact O-SG 3.34Å
615	V	86.4	Confident	83.1	Confident	85 Å²	85	51.8 Å²	51.8	52%	0.515	29%	0.29	S	S	.	.	H	α-helix	trans	-59.9	-44.7	175.2	171.6	0	0	0	0	111.2	T611 V612 C618 R619	T611-V615 WeakPolarHBondContact O-CG2 3.41Å; T611-V615 PolarHBondContact O-N 3.01Å; V612-V615 PolarHBondContact O-N 2.85Å; V615-C618 PolarHBondContact O-N 3.01Å; V615-R619 HydrophobicContact CG1-CG 4.44Å; V615-R619 WeakPolarHBondContact O-CB 3.34Å; V615-R619 VanDerWaalsContact O-CG 3.26Å; V615-R619 WeakPolarHBondContact O-CG 3.14Å; V615-R619 PolarHBondContact O-N 2.96Å
616	V	83.4	Confident	82.6	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-47.1	176.3	165.7	0	0	0	0	111.3	G540 W544 V612 N613 A614 R619 V620	G540-V616 WeakPolarHBondContact O-CG1 3.34Å; W544-V616 HydrophobicContact CB-CG1 3.96Å; V612-V616 HydrophobicContact CG1-CG2 4.48Å; V612-V616 WeakPolarHBondContact O-CB 3.21Å; V612-V616 WeakPolarHBondContact O-CG2 3.12Å; V612-V616 PolarHBondContact O-N 2.99Å; N613-V616 PolarHBondContact O-N 2.97Å; A614-V616 VanDerWaalsContact C-N 3.35Å; A614-V616 PolarHBondContact O-N 2.82Å; V616-R619 PolarHBondContact O-N 3.37Å; V616-V620 HydrophobicContact CG1-CG2 4.23Å; V616-V620 WeakPolarHBondContact O-CB 3.08Å; V616-V620 WeakPolarHBondContact O-CG2 3.47Å; V616-V620 PolarHBondContact O-N 3.34Å
617	L	80	Confident	81.9	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.089	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-49.3	178.1	179.3	59.7	0	0	0	111.2	N613 A614 R619 V620 V621 I656 L659 L663	N613-L617 WeakPolarHBondContact O-CB 3.34Å; N613-L617 PolarHBondContact O-N 3.01Å; A614-L617 PolarHBondContact O-N 3.37Å; L617-R619 VanDerWaalsContact C-N 3.32Å; L617-R619 PolarHBondContact O-N 3.49Å; L617-V620 PolarHBondContact O-N 2.92Å; L617-V621 HydrophobicContact CD1-CG2 4.15Å; L617-V621 WeakPolarHBondContact O-CB 3.4Å; L617-V621 VanDerWaalsContact O-CG2 3.3Å; L617-V621 WeakPolarHBondContact O-CG2 3.45Å; L617-V621 PolarHBondContact O-N 3.03Å; L617-I656 HydrophobicContact CD1-CG1 4.24Å; L617-L659 HydrophobicContact CB-CD2 4.35Å; L617-L659 HydrophobicContact CD1-CB 4.23Å; L617-L659 HydrophobicContact CD1-CD2 4.07Å; L617-L659 HydrophobicContact CD2-CB 4.32Å; L617-L663 HydrophobicContact CD2-CD1 4.2Å
618	C	82.4	Confident	81	Confident	80 Å²	80	51.1 Å²	51.1	54%	0.541	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-43.2	176.3	-71.4	0	0	0	0	112.1	A614 V615 M622	A614-C618 WeakPolarHBondContact O-CB 3.25Å; A614-C618 PolarHBondContact O-N 3.29Å; A614-C618 PolarHBondContact O-SG 3.26Å; A614-C618 VanDerWaalsContact O-SG 3.34Å; V615-C618 PolarHBondContact O-N 3.01Å; C618-M622 WeakPolarHBondContact O-CB 3.49Å; C618-M622 WeakPolarHBondContact O-CG 3.31Å; C618-M622 PolarHBondContact O-N 3.32Å
619	R	83.3	Confident	80	Confident	157 Å²	157	50.9 Å²	50.9	59%	0.592	29%	0.288	S	S	*	.	H	α-helix	trans	-70	-40.6	178.1	-67.8	-69.4	-168.9	-172	1.7	112.4	W544 V615 V616 L617 M622 V623	W544-R619 HydrophobicContact CE3-CB 4.26Å; W544-R619 HydrophobicContact CH2-CB 3.98Å; W544-R619 HydrophobicContact CZ3-CB 3.46Å; W544-R619 VanDerWaalsContact CZ3-CB 3.46Å; W544-R619 HydrophobicContact CZ3-CG 4.47Å; V615-R619 HydrophobicContact CG1-CG 4.44Å; V615-R619 WeakPolarHBondContact O-CB 3.34Å; V615-R619 VanDerWaalsContact O-CG 3.26Å; V615-R619 WeakPolarHBondContact O-CG 3.14Å; V615-R619 PolarHBondContact O-N 2.96Å; V616-R619 PolarHBondContact O-N 3.37Å; L617-R619 VanDerWaalsContact C-N 3.32Å; L617-R619 PolarHBondContact O-N 3.49Å; R619-M622 PolarHBondContact O-N 3.28Å; R619-V623 WeakPolarHBondContact O-CG2 3.26Å; R619-V623 PolarHBondContact O-N 3.14Å
620	V	79.4	Confident	79.2	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-44.6	174	166.1	0	0	0	0	110.9	W544 V547 V616 L617 T624 P655	W544-V620 HydrophobicContact CE3-CG2 4.02Å; V547-V620 HydrophobicContact CG2-CG1 4.4Å; V616-V620 HydrophobicContact CG1-CG2 4.23Å; V616-V620 WeakPolarHBondContact O-CB 3.08Å; V616-V620 WeakPolarHBondContact O-CG2 3.47Å; V616-V620 PolarHBondContact O-N 3.34Å; L617-V620 PolarHBondContact O-N 2.92Å; V620-T624 VanDerWaalsContact O-CB 3.24Å; V620-T624 WeakPolarHBondContact O-CB 3.5Å; V620-T624 PolarHBondContact O-N 3.29Å; V620-T624 PolarHBondContact O-OG1 3.37Å; V620-P655 HydrophobicContact CG1-CB 4.45Å
621	V	77.3	Confident	78.3	Confident	31 Å²	31	64.7 Å²	64.7	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-50.6	175.7	169	0	0	0	0	110.6	L617 V623 T624 V625 V652 I656	L617-V621 HydrophobicContact CD1-CG2 4.15Å; L617-V621 WeakPolarHBondContact O-CB 3.4Å; L617-V621 VanDerWaalsContact O-CG2 3.3Å; L617-V621 WeakPolarHBondContact O-CG2 3.45Å; L617-V621 PolarHBondContact O-N 3.03Å; V621-V623 PolarHBondContact O-N 3.37Å; V621-T624 PolarHBondContact O-N 2.69Å; V621-V625 HydrophobicContact CG1-CG2 4.29Å; V621-V625 WeakPolarHBondContact O-CB 3.47Å; V621-V625 VanDerWaalsContact O-CG2 3.31Å; V621-V625 WeakPolarHBondContact O-CG2 3.45Å; V621-V625 PolarHBondContact O-N 2.99Å; V621-V652 HydrophobicContact CG1-CG1 4.19Å; V621-I656 HydrophobicContact CG1-CD1 4.42Å; V621-I656 HydrophobicContact CG2-CD1 3.72Å; V621-I656 HydrophobicContact CG2-CG1 3.55Å
622	M	81.1	Confident	77.2	Confident	130 Å²	130	63.2 Å²	63.2	64%	0.64	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-44	179.3	-73.3	-70.4	-81	0	0	112.8	C618 R619 S626	C618-M622 WeakPolarHBondContact O-CB 3.49Å; C618-M622 WeakPolarHBondContact O-CG 3.31Å; C618-M622 PolarHBondContact O-N 3.32Å; R619-M622 PolarHBondContact O-N 3.28Å; M622-S626 VanDerWaalsContact O-CB 3.31Å; M622-S626 WeakPolarHBondContact O-CB 3.43Å; M622-S626 PolarHBondContact O-N 3.46Å; M622-S626 PolarHBondContact O-OG 3Å
623	V	79.3	Confident	76	Confident	50 Å²	50	68.1 Å²	68.1	30%	0.303	35%	0.35	S	S	.	.	H	α-helix	trans	-66.5	-44.1	176.3	176.2	0	0	0	0	110.7	V547 V548 R619 V621 S626 S627	V547-V623 HydrophobicContact CG1-CB 3.87Å; V547-V623 HydrophobicContact CG1-CG1 3.49Å; V547-V623 VanDerWaalsContact CG1-CG1 3.49Å; V548-V623 HydrophobicContact CG2-CG2 4.44Å; R619-V623 WeakPolarHBondContact O-CG2 3.26Å; R619-V623 PolarHBondContact O-N 3.14Å; V621-V623 PolarHBondContact O-N 3.37Å; V623-S626 PolarHBondContact O-N 2.92Å; V623-S626 PolarHBondContact O-OG 3.02Å; V623-S627 PolarHBondContact O-N 3.22Å
624	T	73.2	Confident	74.9	Confident	21 Å²	21	75.5 Å²	75.5	13%	0.129	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-52.2	178.4	-57.7	0	0	0	0	110.9	V620 V621 S626 S627 A628 V652	V620-T624 VanDerWaalsContact O-CB 3.24Å; V620-T624 WeakPolarHBondContact O-CB 3.5Å; V620-T624 PolarHBondContact O-N 3.29Å; V620-T624 PolarHBondContact O-OG1 3.37Å; V621-T624 PolarHBondContact O-N 2.69Å; T624-S626 VanDerWaalsContact C-N 3.34Å; T624-S626 PolarHBondContact O-N 3.12Å; T624-S627 PolarHBondContact O-N 2.89Å; T624-S627 PolarHBondContact O-OG 3.38Å; T624-A628 VanDerWaalsContact O-CB 3.28Å; T624-A628 WeakPolarHBondContact O-CB 3.34Å; T624-A628 PolarHBondContact O-N 2.79Å; T624-V652 HydrophobicContact CG2-CG2 3.85Å
625	V	73.9	Confident	73.5	Confident	69 Å²	69	78.5 Å²	78.5	42%	0.418	40%	0.395	S	S	.	.	H	α-helix	trans	-58.1	-42.4	175.4	171.1	0	0	0	0	111.5	V621 S627 A628 H629 V652	V621-V625 HydrophobicContact CG1-CG2 4.29Å; V621-V625 WeakPolarHBondContact O-CB 3.47Å; V621-V625 VanDerWaalsContact O-CG2 3.31Å; V621-V625 WeakPolarHBondContact O-CG2 3.45Å; V621-V625 PolarHBondContact O-N 2.99Å; V625-S627 PolarHBondContact O-N 2.98Å; V625-A628 WeakPolarHBondContact O-CB 3.33Å; V625-A628 PolarHBondContact O-N 3.07Å; V625-H629 WeakPolarHBondContact O-CB 3.35Å; V625-H629 PolarHBondContact O-N 3.12Å; V625-V652 HydrophobicContact CG2-CB 4.46Å; V625-V652 HydrophobicContact CG2-CG1 3.84Å; V625-V652 HydrophobicContact CG2-CG2 3.68Å
626	S	77.8	Confident	71.6	Confident	45 Å²	45	80 Å²	80	32%	0.315	41%	0.409	S	S	.	.	H	α-helix	trans	-65.8	-39	177.7	82.6	0	0	0	0	112.7	M622 V623 T624 R630	M622-S626 VanDerWaalsContact O-CB 3.31Å; M622-S626 WeakPolarHBondContact O-CB 3.43Å; M622-S626 PolarHBondContact O-N 3.46Å; M622-S626 PolarHBondContact O-OG 3Å; V623-S626 PolarHBondContact O-N 2.92Å; V623-S626 PolarHBondContact O-OG 3.02Å; T624-S626 VanDerWaalsContact C-N 3.34Å; T624-S626 PolarHBondContact O-N 3.12Å; S626-R630 WeakPolarHBondContact O-CG 3.41Å; S626-R630 PolarHBondContact O-N 3.36Å
627	S	71.7	Confident	70.5	Confident	36 Å²	36	85.2 Å²	85.2	25%	0.252	44%	0.444	S	S	.	.	H	α-helix	trans	-72.8	-31.6	177.4	82.1	0	0	0	0	112.3	V623 T624 V625 R631	V623-S627 PolarHBondContact O-N 3.22Å; T624-S627 PolarHBondContact O-N 2.89Å; T624-S627 PolarHBondContact O-OG 3.38Å; V625-S627 PolarHBondContact O-N 2.98Å; S627-R631 WeakPolarHBondContact O-CB 3.45Å; S627-R631 WeakPolarHBondContact O-CG 3.42Å; S627-R631 PolarHBondContact O-N 3.18Å; S627-R631 PolarHBondContact O-NE 3.15Å; S627-R631 VanDerWaalsContact O-NE 3.1Å; S627-R631 PolarHBondContact OG-NH2 3.32Å
628	A	67.9	Low	68.8	Low	5 Å²	5	88.8 Å²	88.8	4%	0.041	47%	0.47	C	S	.	.	H	α-helix	trans	-64.9	-50.2	172.5	0	0	0	0	0	110.4	T624 V625 R630 R631 A632 L648	T624-A628 VanDerWaalsContact O-CB 3.28Å; T624-A628 WeakPolarHBondContact O-CB 3.34Å; T624-A628 PolarHBondContact O-N 2.79Å; V625-A628 WeakPolarHBondContact O-CB 3.33Å; V625-A628 PolarHBondContact O-N 3.07Å; A628-R630 PolarHBondContact O-N 3.21Å; A628-R631 PolarHBondContact O-N 3.27Å; A628-A632 WeakPolarHBondContact O-CB 3.46Å; A628-A632 PolarHBondContact O-N 3.36Å; A628-L648 HydrophobicContact CB-CD1 3.48Å; A628-L648 VanDerWaalsContact CB-CD1 3.48Å; A628-L648 HydrophobicContact CB-CD2 4.03Å; A628-L648 HydrophobicContact CB-CG 3.65Å
629	H	68.8	Low	67.1	Low	109 Å²	109	95 Å²	95	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-39.1	176.4	-177.6	-137.1	0	0	0	112.7	V625 A632 K633	V625-H629 WeakPolarHBondContact O-CB 3.35Å; V625-H629 PolarHBondContact O-N 3.12Å; H629-A632 PolarHBondContact O-N 3.1Å; H629-K633 WeakPolarHBondContact NE2-CE 3.49Å; H629-K633 PolarHBondContact O-N 2.95Å; H629-K633 VanDerWaalsContact O-N 3.11Å
630	R	69.7	Low	65.5	Low	171 Å²	171	90.2 Å²	90.2	65%	0.645	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-43.1	171.9	-72.5	-178.7	-150.2	-148	7.5	112.5	S626 A628 K633 M634	S626-R630 WeakPolarHBondContact O-CG 3.41Å; S626-R630 PolarHBondContact O-N 3.36Å; A628-R630 PolarHBondContact O-N 3.21Å; R630-K633 PolarHBondContact O-N 3.13Å; R630-M634 PolarHBondContact O-N 3.29Å
631	R	66.2	Low	64.3	Low	147 Å²	147	93.7 Å²	93.7	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-66.9	-39.7	177.5	-79.4	178.1	-79.2	173.2	-8.5	112.3	S627 A628 K633 M634	S627-R631 WeakPolarHBondContact O-CB 3.45Å; S627-R631 WeakPolarHBondContact O-CG 3.42Å; S627-R631 PolarHBondContact O-N 3.18Å; S627-R631 PolarHBondContact O-NE 3.15Å; S627-R631 VanDerWaalsContact O-NE 3.1Å; S627-R631 PolarHBondContact OG-NH2 3.32Å; A628-R631 PolarHBondContact O-N 3.27Å; R631-K633 VanDerWaalsContact C-N 3.25Å; R631-K633 PolarHBondContact O-N 3.45Å; R631-M634 PolarHBondContact O-N 2.91Å; R631-M634 VanDerWaalsContact O-N 3.16Å
632	A	64.3	Low	63	Low	50 Å²	50	100.9 Å²	100.9	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-31.7	173.3	0	0	0	0	0	112.7	A628 H629	A628-A632 WeakPolarHBondContact O-CB 3.46Å; A628-A632 PolarHBondContact O-N 3.36Å; H629-A632 PolarHBondContact O-N 3.1Å
633	K	62.6	Low	61.5	Low	159 Å²	159	101.4 Å²	101.4	69%	0.691	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.7	175.3	-76.1	-171.7	171.6	-172.3	0	115.4	H629 R630 R631	H629-K633 WeakPolarHBondContact NE2-CE 3.49Å; H629-K633 PolarHBondContact O-N 2.95Å; H629-K633 VanDerWaalsContact O-N 3.11Å; R630-K633 PolarHBondContact O-N 3.13Å; R631-K633 VanDerWaalsContact C-N 3.25Å; R631-K633 PolarHBondContact O-N 3.45Å
634	M	59.9	Low	60.3	Low	154 Å²	154	102.9 Å²	102.9	76%	0.759	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.7	178.8	-77.1	-163.7	-83.8	0	0	114.3	R630 R631	R630-M634 PolarHBondContact O-N 3.29Å; R631-M634 PolarHBondContact O-N 2.91Å; R631-M634 VanDerWaalsContact O-N 3.16Å
635	L	55.3	Low	59.5	Low	111 Å²	111	105.6 Å²	105.6	58%	0.581	56%	0.558	S	S	*	*	S	Bend	trans	-125	122.6	179.4	-69.1	169.8	0	0	0	110.4
636	S	45.8	Very low	58.7	Low	116 Å²	116	108.8 Å²	108.8	81%	0.811	57%	0.567	S	S	*	*			trans	-68	142.9	179	-164	0	0	0	0	111.3	S638	S636-S638 PolarHBondContact O-N 3.28Å
637	P	60.1	Low	57.9	Low	126 Å²	126	110.9 Å²	110.9	82%	0.818	58%	0.575	S	S	*	*			trans	-84.4	112.6	-166.8	31.6	-35	0	0	0	113.8
638	S	46	Very low	57.3	Low	92 Å²	92	112.2 Å²	112.2	64%	0.643	58%	0.578	S	S	*	*	S	Bend	trans	-140.9	103.8	166.4	62.5	0	0	0	0	112.1	S636 A640	S636-S638 PolarHBondContact O-N 3.28Å; S638-A640 PolarHBondContact O-N 2.83Å
639	F	46.7	Very low	56.9	Low	211 Å²	211	116 Å²	116	93%	0.925	60%	0.601	S	S	*	*	S	Bend	trans	54.8	-20.3	169.3	-69.4	-85.6	0	0	0	120.3	S641	F639-S641 PolarHBondContact O-N 3.41Å
640	A	49.8	Very low	56.7	Low	56 Å²	56	115.3 Å²	115.3	46%	0.463	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-10.2	178.5	0	0	0	0	0	114.2	S638 K642 M643 Q644	S638-A640 PolarHBondContact O-N 2.83Å; A640-K642 VanDerWaalsContact C-N 3.31Å; A640-K642 PolarHBondContact O-N 3.41Å; A640-K642 VanDerWaalsContact O-N 3.13Å; A640-M643 PolarHBondContact O-N 3.38Å; A640-M643 VanDerWaalsContact O-N 3.11Å; A640-Q644 WeakPolarHBondContact O-CB 3.27Å; A640-Q644 PolarHBondContact O-N 3.41Å
641	S	53.1	Low	56.4	Low	78 Å²	78	109.5 Å²	109.5	55%	0.545	58%	0.583	S	S	.	*	H	α-helix	trans	-53	-40.6	-167.1	59.1	0	0	0	0	114.1	F639 Q644 T645	F639-S641 PolarHBondContact O-N 3.41Å; S641-Q644 PolarHBondContact O-N 2.9Å; S641-T645 WeakPolarHBondContact O-CB 3.24Å; S641-T645 WeakPolarHBondContact O-CG2 3.39Å; S641-T645 PolarHBondContact O-N 3Å; S641-T645 PolarHBondContact O-OG1 3.46Å
642	K	50.6	Low	56.2	Low	182 Å²	182	103.8 Å²	103.8	79%	0.791	56%	0.564	S	S	*	*	H	α-helix	trans	-73.5	-28.8	-176.4	-156.7	174.4	-173.2	178.7	0	113.9	A640 T645	A640-K642 VanDerWaalsContact C-N 3.31Å; A640-K642 PolarHBondContact O-N 3.41Å; A640-K642 VanDerWaalsContact O-N 3.13Å; K642-T645 PolarHBondContact O-OG1 2.83Å
643	M	48.6	Very low	56.2	Low	142 Å²	142	104 Å²	104	70%	0.7	56%	0.561	S	S	*	*	H	α-helix	trans	-82.9	-39	172.4	-162.9	164.9	87.9	0	0	110.4	A640 T645 F646 D647	A640-M643 PolarHBondContact O-N 3.38Å; A640-M643 VanDerWaalsContact O-N 3.11Å; M643-T645 PolarHBondContact O-N 3.37Å; M643-F646 WeakPolarHBondContact O-CB 3.23Å; M643-F646 PolarHBondContact O-N 3.03Å; M643-D647 PolarHBondContact O-N 3.31Å
644	Q	55.5	Low	56.5	Low	81 Å²	81	99.5 Å²	99.5	38%	0.379	54%	0.539	S	S	.	.	H	α-helix	trans	-65.1	-37.3	178	-163.3	174.6	17.8	0	0	112.6	A640 S641 L648	A640-Q644 WeakPolarHBondContact O-CB 3.27Å; A640-Q644 PolarHBondContact O-N 3.41Å; S641-Q644 PolarHBondContact O-N 2.9Å; Q644-L648 WeakPolarHBondContact O-CB 3.48Å; Q644-L648 PolarHBondContact O-N 2.71Å
645	T	56.1	Low	56.8	Low	77 Å²	77	93.2 Å²	93.2	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-72	-32.1	172.2	52.6	0	0	0	0	112.8	S641 K642 M643 L648 T649	S641-T645 WeakPolarHBondContact O-CB 3.24Å; S641-T645 WeakPolarHBondContact O-CG2 3.39Å; S641-T645 PolarHBondContact O-N 3Å; S641-T645 PolarHBondContact O-OG1 3.46Å; K642-T645 PolarHBondContact O-OG1 2.83Å; M643-T645 PolarHBondContact O-N 3.37Å; T645-L648 PolarHBondContact O-N 3.26Å; T645-T649 WeakPolarHBondContact O-CB 3.24Å; T645-T649 PolarHBondContact O-N 3.42Å; T645-T649 PolarHBondContact O-OG1 3.28Å
646	F	57.1	Low	57.4	Low	136 Å²	136	90.5 Å²	90.5	60%	0.596	50%	0.495	S	S	*	.	H	α-helix	trans	-64	-48.5	171.8	-177.1	-92.6	0	0	0	110.8	M643 L648 T649 W650	M643-F646 WeakPolarHBondContact O-CB 3.23Å; M643-F646 PolarHBondContact O-N 3.03Å; F646-L648 VanDerWaalsContact C-N 3.32Å; F646-L648 PolarHBondContact O-N 3.13Å; F646-T649 PolarHBondContact O-N 3.23Å; F646-W650 VanDerWaalsContact O-CB 3.25Å; F646-W650 WeakPolarHBondContact O-CB 3.33Å; F646-W650 PolarHBondContact O-N 2.94Å
647	D	59.6	Low	58.5	Low	90 Å²	90	87.8 Å²	87.8	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-62.5	-36.8	174.7	-79.5	-32.8	0	0	0	112.5	M643 A651	M643-D647 PolarHBondContact O-N 3.31Å; D647-A651 WeakPolarHBondContact O-CB 3.43Å; D647-A651 PolarHBondContact O-N 3.46Å
648	L	59.2	Low	58.8	Low	63 Å²	63	82.2 Å²	82.2	33%	0.33	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-48.2	174.5	-138.4	69.8	0	0	0	111.6	A628 Q644 T645 F646 A651 V652	A628-L648 HydrophobicContact CB-CD1 3.48Å; A628-L648 VanDerWaalsContact CB-CD1 3.48Å; A628-L648 HydrophobicContact CB-CD2 4.03Å; A628-L648 HydrophobicContact CB-CG 3.65Å; Q644-L648 WeakPolarHBondContact O-CB 3.48Å; Q644-L648 PolarHBondContact O-N 2.71Å; T645-L648 PolarHBondContact O-N 3.26Å; F646-L648 VanDerWaalsContact C-N 3.32Å; F646-L648 PolarHBondContact O-N 3.13Å; L648-A651 PolarHBondContact O-N 3.15Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 2.97Å; L648-V652 VanDerWaalsContact O-N 3.14Å
649	T	60.3	Low	59.8	Low	84 Å²	84	78.2 Å²	78.2	52%	0.515	41%	0.406	S	S	.	.	H	α-helix	trans	-64.9	-46.6	179.3	-54.3	0	0	0	0	109.5	T645 F646 A651 V652 T653	T645-T649 WeakPolarHBondContact O-CB 3.24Å; T645-T649 PolarHBondContact O-N 3.42Å; T645-T649 PolarHBondContact O-OG1 3.28Å; F646-T649 PolarHBondContact O-N 3.23Å; T649-A651 VanDerWaalsContact C-N 3.32Å; T649-A651 PolarHBondContact O-N 3.38Å; T649-V652 PolarHBondContact O-N 2.9Å; T649-T653 VanDerWaalsContact O-CB 3.23Å; T649-T653 WeakPolarHBondContact O-CB 3.41Å; T649-T653 PolarHBondContact O-N 3.41Å; T649-T653 PolarHBondContact O-OG1 3.05Å; T649-T653 VanDerWaalsContact O-OG1 3.05Å
650	W	64.9	Low	60.8	Low	95 Å²	95	71.9 Å²	71.9	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-37.9	176.6	-172.7	-121.5	0	0	0	112.4	F646 V652 R654 L657	F646-W650 VanDerWaalsContact O-CB 3.25Å; F646-W650 WeakPolarHBondContact O-CB 3.33Å; F646-W650 PolarHBondContact O-N 2.94Å; W650-V652 PolarHBondContact O-N 3.24Å; W650-R654 WeakPolarHBondContact O-CB 3.35Å; W650-R654 PolarHBondContact O-N 3.1Å; W650-L657 HydrophobicContact CZ3-CD2 4.48Å
651	A	63.5	Low	61.5	Low	50 Å²	50	71 Å²	71	41%	0.413	37%	0.371	S	S	.	.	H	α-helix	trans	-67.8	-31	175.9	0	0	0	0	0	113.9	D647 L648 T649 P655	D647-A651 WeakPolarHBondContact O-CB 3.43Å; D647-A651 PolarHBondContact O-N 3.46Å; L648-A651 PolarHBondContact O-N 3.15Å; T649-A651 VanDerWaalsContact C-N 3.32Å; T649-A651 PolarHBondContact O-N 3.38Å; A651-P655 WeakPolarHBondContact O-CD 3.22Å
652	V	62.3	Low	61.9	Low	26 Å²	26	67.8 Å²	67.8	16%	0.158	35%	0.348	C	S	.	.	H	α-helix	trans	-85.6	-42	176.9	174.3	0	0	0	0	111.6	V621 T624 V625 L648 T649 W650 P655 I656	V621-V652 HydrophobicContact CG1-CG1 4.19Å; T624-V652 HydrophobicContact CG2-CG2 3.85Å; V625-V652 HydrophobicContact CG2-CB 4.46Å; V625-V652 HydrophobicContact CG2-CG1 3.84Å; V625-V652 HydrophobicContact CG2-CG2 3.68Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 2.97Å; L648-V652 VanDerWaalsContact O-N 3.14Å; T649-V652 PolarHBondContact O-N 2.9Å; W650-V652 PolarHBondContact O-N 3.24Å; V652-P655 WeakPolarHBondContact O-CD 3.18Å; V652-I656 HydrophobicContact CG1-CD1 4.29Å; V652-I656 WeakPolarHBondContact O-CG1 3.48Å
653	T	63.9	Low	62.5	Low	56 Å²	56	59.7 Å²	59.7	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-71.6	-35.7	179.4	-61.1	0	0	0	0	111.9	T649 I656 L657	T649-T653 VanDerWaalsContact O-CB 3.23Å; T649-T653 WeakPolarHBondContact O-CB 3.41Å; T649-T653 PolarHBondContact O-N 3.41Å; T649-T653 PolarHBondContact O-OG1 3.05Å; T649-T653 VanDerWaalsContact O-OG1 3.05Å; T653-I656 CarbonylContact O-C 3.59Å; T653-I656 PolarHBondContact O-N 3.43Å; T653-I656 VanDerWaalsContact O-N 3.09Å; T653-L657 HydrophobicContact CG2-CB 4.49Å; T653-L657 VanDerWaalsContact O-CB 3.23Å; T653-L657 WeakPolarHBondContact O-CB 3.49Å; T653-L657 PolarHBondContact O-N 3.37Å
654	R	68.6	Low	63.1	Low	63 Å²	63	53.7 Å²	53.7	24%	0.238	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-44	-176.8	179.3	176.3	-177.4	-174.4	2.8	113.6	W650 I658 S703	W650-R654 WeakPolarHBondContact O-CB 3.35Å; W650-R654 PolarHBondContact O-N 3.1Å; R654-I658 HydrophobicContact CG-CD1 3.68Å; R654-I658 HydrophobicContact CG-CG1 4.49Å; R654-I658 VanDerWaalsContact O-CB 3.28Å; R654-I658 WeakPolarHBondContact O-CB 3.45Å; R654-I658 WeakPolarHBondContact O-CD1 3.18Å; R654-I658 WeakPolarHBondContact O-CG1 3.22Å; R654-I658 PolarHBondContact O-N 3.32Å; R654-S703 PolarHBondContact NH1-OG 3.03Å; R654-S703 PolarHBondContact NH2-OG 3.48Å
655	P	66.4	Low	63.6	Low	23 Å²	23	54.4 Å²	54.4	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-44	169.7	-26	34.7	0	0	0	113.6	V620 A651 V652 I658 L659	V620-P655 HydrophobicContact CG1-CB 4.45Å; A651-P655 WeakPolarHBondContact O-CD 3.22Å; V652-P655 WeakPolarHBondContact O-CD 3.18Å; P655-I658 PolarHBondContact O-N 2.9Å; P655-L659 WeakPolarHBondContact O-CB 3.25Å; P655-L659 PolarHBondContact O-N 2.97Å
656	I	67.9	Low	64.7	Low	53 Å²	53	50.9 Å²	50.9	27%	0.272	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-44	179.7	-59.1	168.8	0	0	0	110.7	L617 V621 V652 T653 L659 L660	L617-I656 HydrophobicContact CD1-CG1 4.24Å; V621-I656 HydrophobicContact CG1-CD1 4.42Å; V621-I656 HydrophobicContact CG2-CD1 3.72Å; V621-I656 HydrophobicContact CG2-CG1 3.55Å; V652-I656 HydrophobicContact CG1-CD1 4.29Å; V652-I656 WeakPolarHBondContact O-CG1 3.48Å; T653-I656 CarbonylContact O-C 3.59Å; T653-I656 PolarHBondContact O-N 3.43Å; T653-I656 VanDerWaalsContact O-N 3.09Å; I656-L659 PolarHBondContact O-N 2.88Å; I656-L660 HydrophobicContact CG2-CB 4.19Å; I656-L660 HydrophobicContact CG2-CD2 4.16Å; I656-L660 WeakPolarHBondContact O-CB 3.4Å; I656-L660 PolarHBondContact O-N 2.68Å
657	L	68	Low	65.6	Low	60 Å²	60	45.5 Å²	45.5	31%	0.314	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-42.2	177.2	-166.2	71.6	0	0	0	111.1	W650 T653 P661 Y693	W650-L657 HydrophobicContact CZ3-CD2 4.48Å; T653-L657 HydrophobicContact CG2-CB 4.49Å; T653-L657 VanDerWaalsContact O-CB 3.23Å; T653-L657 WeakPolarHBondContact O-CB 3.49Å; T653-L657 PolarHBondContact O-N 3.37Å; L657-P661 WeakPolarHBondContact O-CD 3.36Å; L657-Y693 WeakPolarHBondContact CD1-OH 3.17Å; L657-Y693 VanDerWaalsContact CG-OH 3.23Å; L657-Y693 WeakPolarHBondContact CG-OH 3.47Å; L657-Y693 WeakPolarHBondContact O-CE1 3.33Å; L657-Y693 PolarHBondContact O-OH 3.22Å
658	I	67.3	Low	66.3	Low	8 Å²	8	45 Å²	45	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-42.1	177.8	-76.1	168.3	0	0	0	112.3	E539 R654 P655 V662 V697 Y698	E539-I658 VanDerWaalsContact OE1-CG2 3.24Å; E539-I658 WeakPolarHBondContact OE1-CG2 3.48Å; R654-I658 HydrophobicContact CG-CD1 3.68Å; R654-I658 HydrophobicContact CG-CG1 4.49Å; R654-I658 VanDerWaalsContact O-CB 3.28Å; R654-I658 WeakPolarHBondContact O-CB 3.45Å; R654-I658 WeakPolarHBondContact O-CD1 3.18Å; R654-I658 WeakPolarHBondContact O-CG1 3.22Å; R654-I658 PolarHBondContact O-N 3.32Å; P655-I658 PolarHBondContact O-N 2.9Å; I658-V662 WeakPolarHBondContact O-CG2 3.45Å; I658-V697 HydrophobicContact CB-CG1 4.41Å; I658-V697 HydrophobicContact CD1-CG1 4.39Å; I658-V697 HydrophobicContact CG1-CG1 3.4Å; I658-V697 VanDerWaalsContact CG1-CG1 3.4Å; I658-Y698 HydrophobicContact CG2-CE1 3.87Å
659	L	66.7	Low	67	Low	8 Å²	8	43.3 Å²	43.3	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-89.1	-53.8	-175.2	-103.6	54.3	0	0	0	112.8	E539 L543 L617 P655 I656 V662 L663	E539-L659 HydrophobicContact CG-CD1 4.22Å; L543-L659 HydrophobicContact CD1-CD1 3.49Å; L543-L659 VanDerWaalsContact CD1-CD1 3.49Å; L543-L659 HydrophobicContact CD1-CD2 3.9Å; L543-L659 HydrophobicContact CD1-CG 4.37Å; L617-L659 HydrophobicContact CB-CD2 4.35Å; L617-L659 HydrophobicContact CD1-CB 4.23Å; L617-L659 HydrophobicContact CD1-CD2 4.07Å; L617-L659 HydrophobicContact CD2-CB 4.32Å; P655-L659 WeakPolarHBondContact O-CB 3.25Å; P655-L659 PolarHBondContact O-N 2.97Å; I656-L659 PolarHBondContact O-N 2.88Å; L659-V662 CarbonylContact O-C 3.6Å; L659-V662 PolarHBondContact O-N 2.88Å; L659-L663 HydrophobicContact CB-CD1 3.74Å; L659-L663 HydrophobicContact CB-CG 3.86Å; L659-L663 HydrophobicContact CD2-CD1 4.06Å; L659-L663 HydrophobicContact CG-CD1 3.87Å; L659-L663 HydrophobicContact CG-CD2 4.23Å; L659-L663 HydrophobicContact CG-CG 3.9Å; L659-L663 VanDerWaalsContact O-CB 3.31Å; L659-L663 WeakPolarHBondContact O-CB 3.28Å; L659-L663 VanDerWaalsContact O-CG 3.28Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.34Å
660	L	67.9	Low	67.6	Low	78 Å²	78	40.1 Å²	40.1	41%	0.408	22%	0.221	S	C	.	.	H	α-helix	trans	-52.7	-45.5	-161.9	-178.4	66.5	0	0	0	115.1	I656 G664 L665	I656-L660 HydrophobicContact CG2-CB 4.19Å; I656-L660 HydrophobicContact CG2-CD2 4.16Å; I656-L660 WeakPolarHBondContact O-CB 3.4Å; I656-L660 PolarHBondContact O-N 2.68Å; L660-G664 PolarHBondContact O-N 2.98Å; L660-L665 HydrophobicContact CD1-CD1 4.46Å; L660-L665 HydrophobicContact CD2-CD1 4.43Å; L660-L665 HydrophobicContact CG-CD1 4.06Å
661	P	63.3	Low	67.9	Low	38 Å²	38	37.8 Å²	37.8	25%	0.247	22%	0.217	C	C	.	.	H	α-helix	trans	-82.1	-18.4	-179.8	-15.8	35.8	0	0	0	113.8	L657 Y693	L657-P661 WeakPolarHBondContact O-CD 3.36Å; P661-Y693 HydrophobicContact CB-CD1 4.05Å; P661-Y693 HydrophobicContact CB-CE1 3.82Å; P661-Y693 HydrophobicContact CG-CD1 4.35Å; P661-Y693 HydrophobicContact CG-CE1 3.63Å; P661-Y693 HydrophobicContact CG-CE2 4.39Å
662	V	62.4	Low	68.3	Low	11 Å²	11	39.2 Å²	39.2	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-82	-38.9	172.5	-178.2	0	0	0	0	109.9	L494 M536 I658 L659 I694	L494-V662 HydrophobicContact CD2-CG1 4.35Å; M536-V662 VanDerWaalsContact SD-C 3.59Å; M536-V662 HydrophobicContact SD-CG1 3.87Å; I658-V662 WeakPolarHBondContact O-CG2 3.45Å; L659-V662 CarbonylContact O-C 3.6Å; L659-V662 PolarHBondContact O-N 2.88Å; V662-I694 HydrophobicContact CG2-CG1 4Å
663	L	62.1	Low	68.6	Low	11 Å²	11	39.8 Å²	39.8	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-66.2	-177.4	-76.2	-172	0	0	0	113.1	M536 L610 N613 L617 L659	M536-L663 HydrophobicContact CG-CD2 3.55Å; M536-L663 VanDerWaalsContact SD-CA 3.59Å; M536-L663 HydrophobicContact SD-CD2 3.8Å; L610-L663 WeakPolarHBondContact CD2-O 3.48Å; N613-L663 HydrophobicContact CB-CD1 3.92Å; N613-L663 HydrophobicContact CB-CD2 3.51Å; N613-L663 HydrophobicContact CB-CG 4.35Å; L617-L663 HydrophobicContact CD2-CD1 4.2Å; L659-L663 HydrophobicContact CB-CD1 3.74Å; L659-L663 HydrophobicContact CB-CG 3.86Å; L659-L663 HydrophobicContact CD2-CD1 4.06Å; L659-L663 HydrophobicContact CG-CD1 3.87Å; L659-L663 HydrophobicContact CG-CD2 4.23Å; L659-L663 HydrophobicContact CG-CG 3.9Å; L659-L663 VanDerWaalsContact O-CB 3.31Å; L659-L663 WeakPolarHBondContact O-CB 3.28Å; L659-L663 VanDerWaalsContact O-CG 3.28Å; L659-L663 WeakPolarHBondContact O-CG 3.34Å; L659-L663 PolarHBondContact O-N 3.34Å
664	G	62.3	Low	68.5	Low	16 Å²	16	43.5 Å²	43.5	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-39.9	-147.6	0	0	0	0	0	116.9	L660 T666 W667 M668	L660-G664 PolarHBondContact O-N 2.98Å; G664-T666 PolarHBondContact O-N 2.76Å; G664-W667 PolarHBondContact O-N 3.09Å; G664-M668 WeakPolarHBondContact O-CB 3.45Å; G664-M668 WeakPolarHBondContact O-CG 3.3Å; G664-M668 PolarHBondContact O-N 2.83Å
665	L	66.9	Low	68.2	Low	96 Å²	96	47 Å²	47	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-66.8	-41.4	-170.3	-86.2	148.7	0	0	0	113.2	L660 C669	L660-L665 HydrophobicContact CD1-CD1 4.46Å; L660-L665 HydrophobicContact CD2-CD1 4.43Å; L660-L665 HydrophobicContact CG-CD1 4.06Å; L665-C669 PolarHBondContact O-SG 2.87Å; L665-C669 VanDerWaalsContact O-SG 3.42Å
666	T	77.6	Confident	68.4	Low	4 Å²	4	48.4 Å²	48.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-59.1	171.8	43.5	0	0	0	0	110.4	G664 M668 C669 G670 F683 L686 Q690	G664-T666 PolarHBondContact O-N 2.76Å; T666-M668 PolarHBondContact O-N 3.45Å; T666-C669 WeakPolarHBondContact O-CB 3.21Å; T666-C669 PolarHBondContact O-N 3.22Å; T666-G670 PolarHBondContact O-N 3.38Å; T666-F683 VanDerWaalsContact O-CD2 3.23Å; T666-F683 WeakPolarHBondContact O-CD2 3.32Å; T666-F683 WeakPolarHBondContact O-CE2 3.21Å; T666-L686 HydrophobicContact CG2-CB 3.65Å; T666-Q690 HydrophobicContact CG2-CB 4.49Å; T666-Q690 PolarHBondContact OG1-OE1 3.03Å
667	W	77.5	Confident	68.5	Low	22 Å²	22	49.2 Å²	49.2	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-72.4	-24.7	-171	-68	107.3	0	0	0	115.3	F529 F533 L610 G664 G670 V671 F683	F529-W667 AromaticContact CD1-CH2 3.53Å; F529-W667 HydrophobicContact CD1-CH2 3.53Å; F529-W667 AromaticContact CD1-CZ2 3.78Å; F529-W667 HydrophobicContact CD1-CZ2 3.78Å; F529-W667 AromaticContact CE1-CH2 3.54Å; F529-W667 HydrophobicContact CE1-CH2 3.54Å; F529-W667 AromaticContact CE1-CZ2 3.78Å; F529-W667 HydrophobicContact CE1-CZ2 3.78Å; F529-W667 HydrophobicContact CG-CH2 4.27Å; F529-W667 HydrophobicContact CZ-CH2 4.25Å; F533-W667 HydrophobicContact CE1-CB 4.16Å; F533-W667 AromaticContact CE1-CD1 3.93Å; F533-W667 AromaticContact CE1-CD2 4Å; F533-W667 HydrophobicContact CE1-CD2 4Å; F533-W667 AromaticContact CE1-CG 3.74Å; F533-W667 HydrophobicContact CE1-CG 3.74Å; F533-W667 HydrophobicContact CE2-CD2 4.3Å; F533-W667 HydrophobicContact CE2-CE3 4.32Å; F533-W667 HydrophobicContact CE2-CZ3 4.42Å; F533-W667 HydrophobicContact CZ-CB 4.21Å; F533-W667 AromaticContact CZ-CD2 3.37Å; F533-W667 HydrophobicContact CZ-CD2 3.37Å; F533-W667 AromaticContact CZ-CE2 3.73Å; F533-W667 AromaticContact CZ-CE3 3.62Å; F533-W667 HydrophobicContact CZ-CE3 3.62Å; F533-W667 AromaticContact CZ-CG 3.62Å; F533-W667 HydrophobicContact CZ-CG 3.62Å; F533-W667 HydrophobicContact CZ-CH2 4.45Å; F533-W667 HydrophobicContact CZ-CZ2 4.27Å; F533-W667 HydrophobicContact CZ-CZ3 4.16Å; L610-W667 HydrophobicContact CD2-CB 4.49Å; G664-W667 PolarHBondContact O-N 3.09Å; W667-G670 WeakPolarHBondContact O-CA 3.4Å; W667-G670 PolarHBondContact O-N 3Å; W667-V671 WeakPolarHBondContact O-CG2 3.37Å; W667-V671 PolarHBondContact O-N 3.26Å; W667-F683 HydrophobicContact CE3-CE2 4.24Å; W667-F683 HydrophobicContact CE3-CZ 4.43Å; W667-F683 HydrophobicContact CZ3-CE2 4.43Å; W667-F683 HydrophobicContact CZ3-CZ 4.16Å
668	M	72.9	Confident	68.9	Low	79 Å²	79	50.9 Å²	50.9	39%	0.389	29%	0.287	S	S	.	.	H	α-helix	trans	-71.3	-40.4	171.7	-66.9	-91.9	61.5	0	0	111.4	L610 G664 T666 G670 V671 L672	L610-M668 HydrophobicContact CD1-CE 3.76Å; L610-M668 HydrophobicContact CD1-CG 4.26Å; L610-M668 HydrophobicContact CD1-SD 4.13Å; G664-M668 WeakPolarHBondContact O-CB 3.45Å; G664-M668 WeakPolarHBondContact O-CG 3.3Å; G664-M668 PolarHBondContact O-N 2.83Å; T666-M668 PolarHBondContact O-N 3.45Å; M668-G670 PolarHBondContact O-N 2.96Å; M668-V671 HydrophobicContact CE-CB 4.16Å; M668-V671 HydrophobicContact CE-CG2 4.18Å; M668-V671 PolarHBondContact O-N 3.01Å; M668-L672 WeakPolarHBondContact O-CD1 3.24Å; M668-L672 PolarHBondContact O-N 3.38Å; M668-L672 VanDerWaalsContact O-N 3.08Å
669	C	73.9	Confident	69.3	Low	29 Å²	29	52 Å²	52	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-35.1	167.4	-66.8	0	0	0	0	111.2	L665 T666 L672 V673 V679 F683 L686	L665-C669 PolarHBondContact O-SG 2.87Å; L665-C669 VanDerWaalsContact O-SG 3.42Å; T666-C669 WeakPolarHBondContact O-CB 3.21Å; T666-C669 PolarHBondContact O-N 3.22Å; C669-L672 CarbonylContact O-C 3.59Å; C669-L672 PolarHBondContact O-N 3.29Å; C669-V673 PolarHBondContact O-N 2.94Å; C669-V679 HydrophobicContact CB-CG1 4.16Å; C669-V679 WeakPolarHBondContact O-CG1 3.47Å; C669-F683 HydrophobicContact CB-CB 4.21Å; C669-F683 HydrophobicContact CB-CD2 4.37Å; C669-L686 HydrophobicContact CB-CD1 4.44Å
670	G	73.9	Confident	69.7	Low	16 Å²	16	52.3 Å²	52.3	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-40.1	174.1	0	0	0	0	0	114.1	T666 W667 M668 L672 V673 F683	T666-G670 PolarHBondContact O-N 3.38Å; W667-G670 WeakPolarHBondContact O-CA 3.4Å; W667-G670 PolarHBondContact O-N 3Å; M668-G670 PolarHBondContact O-N 2.96Å; G670-L672 VanDerWaalsContact C-N 3.34Å; G670-V673 WeakPolarHBondContact O-CB 3.16Å; G670-V673 WeakPolarHBondContact O-CG1 3.28Å; G670-V673 PolarHBondContact O-N 2.87Å; G670-F683 VanDerWaalsContact N-CD2 3.25Å
671	V	70.7	Confident	70.3	Confident	47 Å²	47	51.7 Å²	51.7	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-32.6	174.2	173.7	0	0	0	0	111.6	V603 I607 W667 M668 V673	V603-V671 HydrophobicContact CG1-CG1 4.49Å; I607-V671 HydrophobicContact CD1-CG1 4.48Å; W667-V671 WeakPolarHBondContact O-CG2 3.37Å; W667-V671 PolarHBondContact O-N 3.26Å; M668-V671 HydrophobicContact CE-CB 4.16Å; M668-V671 HydrophobicContact CE-CG2 4.18Å; M668-V671 PolarHBondContact O-N 3.01Å; V671-V673 VanDerWaalsContact C-N 3.33Å
672	L	70.9	Confident	71.3	Confident	80 Å²	80	53.6 Å²	53.6	42%	0.419	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.3	178.6	-83.1	76.7	0	0	0	113.8	M668 C669 G670 H674 L675 V679	M668-L672 WeakPolarHBondContact O-CD1 3.24Å; M668-L672 PolarHBondContact O-N 3.38Å; M668-L672 VanDerWaalsContact O-N 3.08Å; C669-L672 CarbonylContact O-C 3.59Å; C669-L672 PolarHBondContact O-N 3.29Å; G670-L672 VanDerWaalsContact C-N 3.34Å; L672-H674 PolarHBondContact O-N 3.05Å; L672-L675 HydrophobicContact CB-CD1 4.18Å; L672-L675 HydrophobicContact CD2-CD1 4.11Å; L672-L675 HydrophobicContact CG-CD1 3.84Å; L672-L675 WeakPolarHBondContact O-CB 3.08Å; L672-L675 PolarHBondContact O-N 3.49Å; L672-V679 HydrophobicContact CB-CG1 4.04Å
673	V	68.8	Low	72.2	Confident	38 Å²	38	55.3 Å²	55.3	23%	0.23	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.1	-36.1	-174.5	74	0	0	0	0	113.1	C669 G670 V671 L675 S680	C669-V673 PolarHBondContact O-N 2.94Å; G670-V673 WeakPolarHBondContact O-CB 3.16Å; G670-V673 WeakPolarHBondContact O-CG1 3.28Å; G670-V673 PolarHBondContact O-N 2.87Å; V671-V673 VanDerWaalsContact C-N 3.33Å; V673-L675 PolarHBondContact O-N 2.92Å; V673-S680 VanDerWaalsContact CG2-OG 3.27Å; V673-S680 WeakPolarHBondContact CG2-OG 3.09Å
674	H	61.9	Low	73.2	Confident	134 Å²	134	55.4 Å²	55.4	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-72.6	-3.9	-180	-57.5	-64.5	0	0	0	114.2	L672	L672-H674 PolarHBondContact O-N 3.05Å
675	L	62.3	Low	74.2	Confident	137 Å²	137	58.6 Å²	58.6	72%	0.717	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-93.6	-21.7	-180	-57.8	179.3	0	0	0	113.6	L672 V673	L672-L675 HydrophobicContact CB-CD1 4.18Å; L672-L675 HydrophobicContact CD2-CD1 4.11Å; L672-L675 HydrophobicContact CG-CD1 3.84Å; L672-L675 WeakPolarHBondContact O-CB 3.08Å; L672-L675 PolarHBondContact O-N 3.49Å; V673-L675 PolarHBondContact O-N 2.92Å
676	S	70.9	Confident	74.9	Confident	52 Å²	52	56.8 Å²	56.8	36%	0.364	31%	0.307	S	S	.	.			trans	-170.1	139.3	177.7	-177.6	0	0	0	0	112.7	V678 V679 S680	S676-V678 PolarHBondContact O-N 3.42Å; S676-V678 VanDerWaalsContact O-N 3.13Å; S676-V678 PolarHBondContact OG-N 2.89Å; S676-V679 WeakPolarHBondContact O-CA 3.23Å; S676-V679 WeakPolarHBondContact O-CB 3.37Å; S676-V679 PolarHBondContact O-N 3.23Å; S676-S680 PolarHBondContact O-N 3.24Å
677	V	70.5	Confident	75.1	Confident	70 Å²	70	57.8 Å²	57.8	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-53.5	-31.4	170.1	-176.3	0	0	0	0	112.3	V679 S680 Y681	V677-V679 VanDerWaalsContact C-N 3.3Å; V677-V679 PolarHBondContact O-N 3.49Å; V677-S680 VanDerWaalsContact O-CB 3.3Å; V677-S680 WeakPolarHBondContact O-CB 3.39Å; V677-S680 PolarHBondContact O-N 2.85Å; V677-Y681 HydrophobicContact CG1-CD2 4.12Å; V677-Y681 HydrophobicContact CG1-CE2 3.71Å; V677-Y681 WeakPolarHBondContact O-CD2 3.33Å; V677-Y681 PolarHBondContact O-N 2.9Å; V677-Y681 VanDerWaalsContact O-N 3.14Å
678	V	76.2	Confident	75.5	Confident	94 Å²	94	57.5 Å²	57.5	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-64.8	-35.4	176	-177.2	0	0	0	0	111.4	S676 S680 Y681 I682	S676-V678 PolarHBondContact O-N 3.42Å; S676-V678 VanDerWaalsContact O-N 3.13Å; S676-V678 PolarHBondContact OG-N 2.89Å; V678-S680 VanDerWaalsContact C-N 3.35Å; V678-Y681 PolarHBondContact O-N 3.21Å; V678-I682 HydrophobicContact CG1-CD1 4.13Å; V678-I682 WeakPolarHBondContact O-CG1 3.06Å; V678-I682 PolarHBondContact O-N 2.89Å; V678-I682 VanDerWaalsContact O-N 3.1Å
679	V	76.8	Confident	76.1	Confident	31 Å²	31	59.6 Å²	59.6	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-34.6	175.4	-179.7	0	0	0	0	110.5	C669 L672 S676 V677 I682 F683	C669-V679 HydrophobicContact CB-CG1 4.16Å; C669-V679 WeakPolarHBondContact O-CG1 3.47Å; L672-V679 HydrophobicContact CB-CG1 4.04Å; S676-V679 WeakPolarHBondContact O-CA 3.23Å; S676-V679 WeakPolarHBondContact O-CB 3.37Å; S676-V679 PolarHBondContact O-N 3.23Å; V677-V679 VanDerWaalsContact C-N 3.3Å; V677-V679 PolarHBondContact O-N 3.49Å; V679-I682 PolarHBondContact O-N 2.87Å; V679-F683 VanDerWaalsContact O-CB 3.29Å; V679-F683 WeakPolarHBondContact O-CB 3.43Å; V679-F683 PolarHBondContact O-N 3.18Å
680	S	75.2	Confident	76.6	Confident	16 Å²	16	58.7 Å²	58.7	11%	0.112	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-46.7	172.3	-43.5	0	0	0	0	112.6	V673 S676 V677 V678 F683 I684	V673-S680 VanDerWaalsContact CG2-OG 3.27Å; V673-S680 WeakPolarHBondContact CG2-OG 3.09Å; S676-S680 PolarHBondContact O-N 3.24Å; V677-S680 VanDerWaalsContact O-CB 3.3Å; V677-S680 WeakPolarHBondContact O-CB 3.39Å; V677-S680 PolarHBondContact O-N 2.85Å; V678-S680 VanDerWaalsContact C-N 3.35Å; S680-F683 WeakPolarHBondContact O-CB 3.46Å; S680-F683 PolarHBondContact O-N 3.49Å; S680-I684 WeakPolarHBondContact O-CD1 3.38Å; S680-I684 WeakPolarHBondContact O-CG1 3.4Å; S680-I684 PolarHBondContact O-N 3.05Å; S680-I684 VanDerWaalsContact O-N 3.07Å
681	Y	80.6	Confident	77.1	Confident	65 Å²	65	57.9 Å²	57.9	26%	0.255	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.9	-75	-62.8	0	0	0	112.3	N451 L455 L458 V677 V678 F683 I684 I685	N451-Y681 PolarHBondContact OD1-OH 2.82Å; L455-Y681 HydrophobicContact CD1-CD1 4.06Å; L455-Y681 HydrophobicContact CD1-CE1 3.95Å; L458-Y681 HydrophobicContact CD2-CD1 3.83Å; L458-Y681 HydrophobicContact CD2-CE1 4.36Å; V677-Y681 HydrophobicContact CG1-CD2 4.12Å; V677-Y681 HydrophobicContact CG1-CE2 3.71Å; V677-Y681 WeakPolarHBondContact O-CD2 3.33Å; V677-Y681 PolarHBondContact O-N 2.9Å; V677-Y681 VanDerWaalsContact O-N 3.14Å; V678-Y681 PolarHBondContact O-N 3.21Å; Y681-F683 VanDerWaalsContact C-N 3.34Å; Y681-F683 PolarHBondContact O-N 2.88Å; Y681-I684 PolarHBondContact O-N 3Å; Y681-I685 WeakPolarHBondContact O-CD1 3.36Å; Y681-I685 VanDerWaalsContact O-CG1 3.26Å; Y681-I685 WeakPolarHBondContact O-CG1 3.43Å; Y681-I685 PolarHBondContact O-N 3.2Å
682	I	82.3	Confident	77.8	Confident	78 Å²	78	58.8 Å²	58.8	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-43.5	176.1	-68.8	166.5	0	0	0	110.9	V678 V679 I684 I685 L686	V678-I682 HydrophobicContact CG1-CD1 4.13Å; V678-I682 WeakPolarHBondContact O-CG1 3.06Å; V678-I682 PolarHBondContact O-N 2.89Å; V678-I682 VanDerWaalsContact O-N 3.1Å; V679-I682 PolarHBondContact O-N 2.87Å; I682-I684 PolarHBondContact O-N 3.35Å; I682-I685 PolarHBondContact O-N 2.93Å; I682-L686 HydrophobicContact CG2-CD1 3.73Å; I682-L686 HydrophobicContact CG2-CG 4.27Å; I682-L686 WeakPolarHBondContact O-CB 3.4Å; I682-L686 VanDerWaalsContact O-CG 3.23Å; I682-L686 WeakPolarHBondContact O-CG 3.1Å; I682-L686 PolarHBondContact O-N 3.14Å
683	F	82.6	Confident	78.4	Confident	47 Å²	47	57.6 Å²	57.6	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-47.6	178	175.2	-110.1	0	0	0	112	T666 W667 C669 G670 V679 S680 Y681 L686 N687	T666-F683 VanDerWaalsContact O-CD2 3.23Å; T666-F683 WeakPolarHBondContact O-CD2 3.32Å; T666-F683 WeakPolarHBondContact O-CE2 3.21Å; W667-F683 HydrophobicContact CE3-CE2 4.24Å; W667-F683 HydrophobicContact CE3-CZ 4.43Å; W667-F683 HydrophobicContact CZ3-CE2 4.43Å; W667-F683 HydrophobicContact CZ3-CZ 4.16Å; C669-F683 HydrophobicContact CB-CB 4.21Å; C669-F683 HydrophobicContact CB-CD2 4.37Å; G670-F683 VanDerWaalsContact N-CD2 3.25Å; V679-F683 VanDerWaalsContact O-CB 3.29Å; V679-F683 WeakPolarHBondContact O-CB 3.43Å; V679-F683 PolarHBondContact O-N 3.18Å; S680-F683 WeakPolarHBondContact O-CB 3.46Å; S680-F683 PolarHBondContact O-N 3.49Å; Y681-F683 VanDerWaalsContact C-N 3.34Å; Y681-F683 PolarHBondContact O-N 2.88Å; F683-L686 PolarHBondContact O-N 2.76Å; F683-N687 VanDerWaalsContact CD2-ND2 3.27Å; F683-N687 WeakPolarHBondContact CD2-ND2 3.46Å; F683-N687 WeakPolarHBondContact CE2-ND2 3.31Å; F683-N687 VanDerWaalsContact CZ-ND2 3.28Å; F683-N687 WeakPolarHBondContact CZ-ND2 3.28Å; F683-N687 PolarHBondContact O-N 3.2Å; F683-N687 PolarHBondContact O-ND2 2.92Å
684	I	82.6	Confident	79.1	Confident	12 Å²	12	56 Å²	56	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-42	-178.5	-64.8	157	0	0	0	111	L455 L458 T459 S680 Y681 I682 L686 N687 S688	L455-I684 HydrophobicContact CD1-CD1 3.29Å; L455-I684 HydrophobicContact CD2-CD1 4.41Å; L455-I684 HydrophobicContact CG-CD1 3.49Å; L455-I684 VanDerWaalsContact CG-CD1 3.49Å; L458-I684 HydrophobicContact CB-CG2 4.25Å; L458-I684 HydrophobicContact CD2-CB 4.09Å; L458-I684 HydrophobicContact CD2-CD1 4.5Å; L458-I684 HydrophobicContact CD2-CG2 3.78Å; L458-I684 HydrophobicContact CG-CG2 3.7Å; T459-I684 VanDerWaalsContact OG1-CD1 3.3Å; T459-I684 WeakPolarHBondContact OG1-CD1 3.43Å; S680-I684 WeakPolarHBondContact O-CD1 3.38Å; S680-I684 WeakPolarHBondContact O-CG1 3.4Å; S680-I684 PolarHBondContact O-N 3.05Å; S680-I684 VanDerWaalsContact O-N 3.07Å; Y681-I684 PolarHBondContact O-N 3Å; I682-I684 PolarHBondContact O-N 3.35Å; I684-L686 VanDerWaalsContact C-N 3.32Å; I684-L686 PolarHBondContact O-N 3.22Å; I684-N687 PolarHBondContact O-N 3.06Å; I684-S688 WeakPolarHBondContact O-CB 3.31Å; I684-S688 PolarHBondContact O-N 3.32Å; I684-S688 PolarHBondContact O-OG 3.04Å
685	I	83.1	Confident	80.2	Confident	83 Å²	83	51.4 Å²	51.4	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-44.4	175.5	-68.1	166.4	0	0	0	110.5	Y681 I682 S688 F689	Y681-I685 WeakPolarHBondContact O-CD1 3.36Å; Y681-I685 VanDerWaalsContact O-CG1 3.26Å; Y681-I685 WeakPolarHBondContact O-CG1 3.43Å; Y681-I685 PolarHBondContact O-N 3.2Å; I682-I685 PolarHBondContact O-N 2.93Å; I685-S688 WeakPolarHBondContact O-CB 3.43Å; I685-S688 PolarHBondContact O-N 3.14Å; I685-F689 HydrophobicContact CG2-CD2 4.19Å; I685-F689 HydrophobicContact CG2-CE2 3.93Å; I685-F689 WeakPolarHBondContact O-CD2 3.23Å; I685-F689 PolarHBondContact O-N 3.48Å
686	L	82.6	Confident	81.2	Confident	59 Å²	59	48 Å²	48	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-41.7	178	-69.8	172.2	0	0	0	112.2	T666 C669 I682 F683 I684 F689 Q690	T666-L686 HydrophobicContact CG2-CB 3.65Å; C669-L686 HydrophobicContact CB-CD1 4.44Å; I682-L686 HydrophobicContact CG2-CD1 3.73Å; I682-L686 HydrophobicContact CG2-CG 4.27Å; I682-L686 WeakPolarHBondContact O-CB 3.4Å; I682-L686 VanDerWaalsContact O-CG 3.23Å; I682-L686 WeakPolarHBondContact O-CG 3.1Å; I682-L686 PolarHBondContact O-N 3.14Å; F683-L686 PolarHBondContact O-N 2.76Å; I684-L686 VanDerWaalsContact C-N 3.32Å; I684-L686 PolarHBondContact O-N 3.22Å; L686-F689 PolarHBondContact O-N 2.84Å; L686-Q690 PolarHBondContact O-N 3.43Å
687	N	81.9	Confident	81.6	Confident	25 Å²	25	46.1 Å²	46.1	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-39	175.8	-80.4	-82	0	0	0	112.3	F683 I684 F689 Q690	F683-N687 VanDerWaalsContact CD2-ND2 3.27Å; F683-N687 WeakPolarHBondContact CD2-ND2 3.46Å; F683-N687 WeakPolarHBondContact CE2-ND2 3.31Å; F683-N687 VanDerWaalsContact CZ-ND2 3.28Å; F683-N687 WeakPolarHBondContact CZ-ND2 3.28Å; F683-N687 PolarHBondContact O-N 3.2Å; F683-N687 PolarHBondContact O-ND2 2.92Å; I684-N687 PolarHBondContact O-N 3.06Å; N687-F689 PolarHBondContact O-N 3.07Å; N687-F689 VanDerWaalsContact O-N 3.14Å; N687-Q690 VanDerWaalsContact O-CB 3.23Å; N687-Q690 WeakPolarHBondContact O-CB 3.26Å; N687-Q690 PolarHBondContact O-N 2.86Å; N687-Q690 PolarHBondContact OD1-NE2 3.27Å
688	S	85.1	Confident	82	Confident	16 Å²	16	43 Å²	43	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-54.6	-34.6	176.7	-56.5	0	0	0	0	112.6	G462 I684 I685	G462-S688 WeakPolarHBondContact CA-OG 3.01Å; I684-S688 WeakPolarHBondContact O-CB 3.31Å; I684-S688 PolarHBondContact O-N 3.32Å; I684-S688 PolarHBondContact O-OG 3.04Å; I685-S688 WeakPolarHBondContact O-CB 3.43Å; I685-S688 PolarHBondContact O-N 3.14Å
689	F	84.4	Confident	82.1	Confident	123 Å²	123	38.6 Å²	38.6	54%	0.539	19%	0.19	S	C	.	.	H	α-helix	trans	-89.2	-10.9	176.9	-68.4	-59.7	0	0	0	114.2	I685 L686 N687 L692 Y693	I685-F689 HydrophobicContact CG2-CD2 4.19Å; I685-F689 HydrophobicContact CG2-CE2 3.93Å; I685-F689 WeakPolarHBondContact O-CD2 3.23Å; I685-F689 PolarHBondContact O-N 3.48Å; L686-F689 PolarHBondContact O-N 2.84Å; N687-F689 PolarHBondContact O-N 3.07Å; N687-F689 VanDerWaalsContact O-N 3.14Å; F689-L692 HydrophobicContact CD1-CD2 4.3Å; F689-L692 PolarHBondContact O-N 3.16Å; F689-Y693 WeakPolarHBondContact O-CB 3.23Å; F689-Y693 PolarHBondContact O-N 3.29Å
690	Q	85.1	Confident	82.2	Confident	9 Å²	9	40.1 Å²	40.1	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-49.7	-172.3	-169.9	173.1	-108.4	0	0	112.3	T666 L686 N687 Y693 I694	T666-Q690 HydrophobicContact CG2-CB 4.49Å; T666-Q690 PolarHBondContact OG1-OE1 3.03Å; L686-Q690 PolarHBondContact O-N 3.43Å; N687-Q690 VanDerWaalsContact O-CB 3.23Å; N687-Q690 WeakPolarHBondContact O-CB 3.26Å; N687-Q690 PolarHBondContact O-N 2.86Å; N687-Q690 PolarHBondContact OD1-NE2 3.27Å; Q690-Y693 WeakPolarHBondContact O-CB 3.43Å; Q690-Y693 PolarHBondContact O-N 3.36Å; Q690-I694 HydrophobicContact CG-CD1 4.28Å; Q690-I694 WeakPolarHBondContact O-CG1 3.5Å; Q690-I694 PolarHBondContact O-N 3.21Å
691	G	85.3	Confident	82.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-36.5	177.4	0	0	0	0	0	114	S466 Y693 I694 F695	S466-G691 WeakPolarHBondContact OG-CA 3.01Å; S466-G691 PolarHBondContact OG-N 3.42Å; G691-Y693 VanDerWaalsContact C-N 3.34Å; G691-I694 PolarHBondContact O-N 3.03Å; G691-F695 PolarHBondContact O-N 3.47Å
692	L	84.2	Confident	81.8	Confident	65 Å²	65	43.1 Å²	43.1	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-38.7	172.7	-179.1	62.7	0	0	0	111.5	F689 F695 L696	F689-L692 HydrophobicContact CD1-CD2 4.3Å; F689-L692 PolarHBondContact O-N 3.16Å; L692-F695 HydrophobicContact CD1-CD1 4.32Å; L692-F695 WeakPolarHBondContact O-CB 3.29Å; L692-F695 PolarHBondContact O-N 3.1Å; L692-L696 WeakPolarHBondContact O-CG 3.27Å; L692-L696 PolarHBondContact O-N 2.88Å
693	Y	84.1	Confident	81.3	Confident	56 Å²	56	41.5 Å²	41.5	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-46.5	176.1	-170.6	-96.9	0	0	0	111.6	L657 P661 F689 Q690 G691 F695 L696 V697	L657-Y693 WeakPolarHBondContact CD1-OH 3.17Å; L657-Y693 VanDerWaalsContact CG-OH 3.23Å; L657-Y693 WeakPolarHBondContact CG-OH 3.47Å; L657-Y693 WeakPolarHBondContact O-CE1 3.33Å; L657-Y693 PolarHBondContact O-OH 3.22Å; P661-Y693 HydrophobicContact CB-CD1 4.05Å; P661-Y693 HydrophobicContact CB-CE1 3.82Å; P661-Y693 HydrophobicContact CG-CD1 4.35Å; P661-Y693 HydrophobicContact CG-CE1 3.63Å; P661-Y693 HydrophobicContact CG-CE2 4.39Å; F689-Y693 WeakPolarHBondContact O-CB 3.23Å; F689-Y693 PolarHBondContact O-N 3.29Å; Q690-Y693 WeakPolarHBondContact O-CB 3.43Å; Q690-Y693 PolarHBondContact O-N 3.36Å; G691-Y693 VanDerWaalsContact C-N 3.34Å; Y693-F695 VanDerWaalsContact C-N 3.3Å; Y693-F695 PolarHBondContact O-N 2.94Å; Y693-L696 PolarHBondContact O-N 3.41Å; Y693-V697 HydrophobicContact CD1-CG2 4.1Å; Y693-V697 HydrophobicContact CE1-CG2 3.63Å; Y693-V697 HydrophobicContact CE2-CG2 4.14Å; Y693-V697 WeakPolarHBondContact O-CG2 3.38Å; Y693-V697 PolarHBondContact O-N 2.88Å
694	I	84.5	Confident	80.8	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-57	-43.7	174.1	-70.9	163.7	0	0	0	110.4	L470 I495 L498 V662 Q690 G691 V697 Y698	L470-I694 HydrophobicContact CD2-CB 4.13Å; L470-I694 HydrophobicContact CD2-CD1 3.98Å; L470-I694 HydrophobicContact CD2-CG2 3.95Å; I495-I694 HydrophobicContact CD1-CG2 4.06Å; I495-I694 HydrophobicContact CG1-CG2 3.91Å; L498-I694 HydrophobicContact CD2-CD1 3.7Å; V662-I694 HydrophobicContact CG2-CG1 4Å; Q690-I694 HydrophobicContact CG-CD1 4.28Å; Q690-I694 WeakPolarHBondContact O-CG1 3.5Å; Q690-I694 PolarHBondContact O-N 3.21Å; G691-I694 PolarHBondContact O-N 3.03Å; I694-V697 PolarHBondContact O-N 2.97Å; I694-Y698 HydrophobicContact CG2-CD2 3.95Å; I694-Y698 HydrophobicContact CG2-CE2 4.33Å; I694-Y698 HydrophobicContact CG2-CG 4.24Å; I694-Y698 VanDerWaalsContact O-CB 3.24Å; I694-Y698 WeakPolarHBondContact O-CB 3.42Å; I694-Y698 PolarHBondContact O-N 3.36Å
695	F	84.3	Confident	80.4	Confident	38 Å²	38	42.3 Å²	42.3	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-53.4	174	167.5	-119.6	0	0	0	113	F472 T473 G691 L692 Y693 V697 A699 V700	F472-F695 AromaticContact CD1-CD2 3.86Å; F472-F695 HydrophobicContact CD1-CD2 3.86Å; F472-F695 AromaticContact CD1-CE2 3.36Å; F472-F695 HydrophobicContact CD1-CE2 3.36Å; F472-F695 AromaticContact CD1-CZ 3.77Å; F472-F695 HydrophobicContact CD1-CZ 3.77Å; F472-F695 HydrophobicContact CE1-CD2 4.45Å; F472-F695 AromaticContact CE1-CE2 3.52Å; F472-F695 HydrophobicContact CE1-CE2 3.52Å; F472-F695 AromaticContact CE1-CZ 3.68Å; F472-F695 HydrophobicContact CE1-CZ 3.68Å; T473-F695 WeakPolarHBondContact OG1-CA 3.34Å; T473-F695 WeakPolarHBondContact OG1-CB 3.47Å; T473-F695 WeakPolarHBondContact OG1-CD2 3.34Å; G691-F695 PolarHBondContact O-N 3.47Å; L692-F695 HydrophobicContact CD1-CD1 4.32Å; L692-F695 WeakPolarHBondContact O-CB 3.29Å; L692-F695 PolarHBondContact O-N 3.1Å; Y693-F695 VanDerWaalsContact C-N 3.3Å; Y693-F695 PolarHBondContact O-N 2.94Å; F695-V697 VanDerWaalsContact C-N 3.33Å; F695-V697 PolarHBondContact O-N 3.28Å; F695-A699 HydrophobicContact CD2-CB 3.81Å; F695-A699 HydrophobicContact CE2-CB 3.83Å; F695-A699 WeakPolarHBondContact O-CB 3.36Å; F695-A699 PolarHBondContact O-N 2.87Å; F695-V700 HydrophobicContact CD1-CG2 4.39Å; F695-V700 HydrophobicContact CD2-CG2 4.41Å; F695-V700 HydrophobicContact CE1-CG2 3.75Å; F695-V700 HydrophobicContact CE2-CG2 3.74Å; F695-V700 HydrophobicContact CZ-CG2 3.37Å; F695-V700 PolarHBondContact O-N 2.9Å
696	L	82.4	Confident	80.2	Confident	65 Å²	65	45.9 Å²	45.9	34%	0.34	22%	0.217	S	C	.	.	I	π-helix	trans	-57.8	-46.9	-179	-71.4	174.1	0	0	0	111.1	L692 Y693 V700 Y701	L692-L696 WeakPolarHBondContact O-CG 3.27Å; L692-L696 PolarHBondContact O-N 2.88Å; Y693-L696 PolarHBondContact O-N 3.41Å; L696-V700 HydrophobicContact CD2-CG2 4.29Å; L696-V700 CarbonylContact O-C 3.6Å; L696-V700 WeakPolarHBondContact O-CA 3.5Å; L696-V700 WeakPolarHBondContact O-CB 3.38Å; L696-V700 PolarHBondContact O-N 3.37Å; L696-Y701 HydrophobicContact CB-CD2 4.35Å; L696-Y701 HydrophobicContact CB-CE2 4.21Å; L696-Y701 WeakPolarHBondContact O-CD2 3.38Å; L696-Y701 PolarHBondContact O-N 2.8Å
697	V	79.9	Confident	80.1	Confident	13 Å²	13	47.3 Å²	47.3	8%	0.079	22%	0.224	C	C	.	.	I	π-helix	trans	-78.6	-41.6	-174.2	-174.8	0	0	0	0	112.5	I658 Y693 I694 F695	I658-V697 HydrophobicContact CB-CG1 4.41Å; I658-V697 HydrophobicContact CD1-CG1 4.39Å; I658-V697 HydrophobicContact CG1-CG1 3.4Å; I658-V697 VanDerWaalsContact CG1-CG1 3.4Å; Y693-V697 HydrophobicContact CD1-CG2 4.1Å; Y693-V697 HydrophobicContact CE1-CG2 3.63Å; Y693-V697 HydrophobicContact CE2-CG2 4.14Å; Y693-V697 WeakPolarHBondContact O-CG2 3.38Å; Y693-V697 PolarHBondContact O-N 2.88Å; I694-V697 PolarHBondContact O-N 2.97Å; F695-V697 VanDerWaalsContact C-N 3.33Å; F695-V697 PolarHBondContact O-N 3.28Å
698	Y	77.9	Confident	79.9	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.016	22%	0.22	C	C	.	.	I	π-helix	trans	-89.8	-25.7	-170.4	-70.5	18.1	0	0	0	113.1	F477 H491 I495 E539 I658 I694 N702	F477-Y698 WeakPolarHBondContact CE1-O 3.43Å; F477-Y698 WeakPolarHBondContact CZ-O 3.33Å; H491-Y698 HydrophobicContact CB-CD2 3.91Å; H491-Y698 HydrophobicContact CB-CE2 4.11Å; H491-Y698 AromaticContact CD2-CD2 3.73Å; H491-Y698 AromaticContact CE1-CD2 3.91Å; H491-Y698 AromaticContact CE1-CE2 3.49Å; H491-Y698 VanDerWaalsContact CE1-CE2 3.49Å; H491-Y698 WeakPolarHBondContact CE1-CE2 3.39Å; H491-Y698 AromaticContact CE1-CZ 3.65Å; H491-Y698 AromaticContact CG-CD2 3.6Å; H491-Y698 AromaticContact CG-CE2 3.62Å; H491-Y698 AromaticContact ND1-CD2 3.76Å; H491-Y698 AromaticContact ND1-CE2 3.27Å; H491-Y698 VanDerWaalsContact ND1-CE2 3.27Å; H491-Y698 WeakPolarHBondContact ND1-CE2 3.44Å; H491-Y698 AromaticContact ND1-CZ 3.85Å; H491-Y698 AromaticContact NE2-CD2 3.97Å; I495-Y698 HydrophobicContact CD1-CD2 4.33Å; E539-Y698 PolarHBondContact OE2-OH 3.38Å; E539-Y698 VanDerWaalsContact OE2-OH 3.07Å; I658-Y698 HydrophobicContact CG2-CE1 3.87Å; I694-Y698 HydrophobicContact CG2-CD2 3.95Å; I694-Y698 HydrophobicContact CG2-CE2 4.33Å; I694-Y698 HydrophobicContact CG2-CG 4.24Å; I694-Y698 VanDerWaalsContact O-CB 3.24Å; I694-Y698 WeakPolarHBondContact O-CB 3.42Å; I694-Y698 PolarHBondContact O-N 3.36Å; Y698-N702 WeakPolarHBondContact O-CB 3.43Å; Y698-N702 PolarHBondContact O-ND2 2.9Å
699	A	78.6	Confident	79.6	Confident	3 Å²	3	49 Å²	49	3%	0.025	23%	0.232	C	C	.	.	I	π-helix	trans	-105	-54.2	173.1	0	0	0	0	0	113.3	T473 L476 F477 F695 V705	T473-A699 HydrophobicContact CG2-CB 4.31Å; L476-A699 HydrophobicContact CD1-CB 4.18Å; L476-A699 HydrophobicContact CD2-CB 4.16Å; F477-A699 HydrophobicContact CE1-CB 4.45Å; F695-A699 HydrophobicContact CD2-CB 3.81Å; F695-A699 HydrophobicContact CE2-CB 3.83Å; F695-A699 WeakPolarHBondContact O-CB 3.36Å; F695-A699 PolarHBondContact O-N 2.87Å; A699-V705 WeakPolarHBondContact O-CG1 3.22Å
700	V	79.2	Confident	79.4	Confident	62 Å²	62	48.8 Å²	48.8	38%	0.376	23%	0.231	S	C	.	.	I	π-helix	trans	-75.6	-52	-168.8	-174.2	0	0	0	0	112.4	F695 L696 N702 R706	F695-V700 HydrophobicContact CD1-CG2 4.39Å; F695-V700 HydrophobicContact CD2-CG2 4.41Å; F695-V700 HydrophobicContact CE1-CG2 3.75Å; F695-V700 HydrophobicContact CE2-CG2 3.74Å; F695-V700 HydrophobicContact CZ-CG2 3.37Å; F695-V700 PolarHBondContact O-N 2.9Å; L696-V700 HydrophobicContact CD2-CG2 4.29Å; L696-V700 CarbonylContact O-C 3.6Å; L696-V700 WeakPolarHBondContact O-CA 3.5Å; L696-V700 WeakPolarHBondContact O-CB 3.38Å; L696-V700 PolarHBondContact O-N 3.37Å; V700-N702 VanDerWaalsContact C-N 3.3Å; V700-N702 PolarHBondContact O-N 2.88Å; V700-R706 VanDerWaalsContact O-CD 3.27Å; V700-R706 WeakPolarHBondContact O-CD 3.38Å; V700-R706 WeakPolarHBondContact O-CG 3.32Å
701	Y	72.9	Confident	79.2	Confident	138 Å²	138	54.5 Å²	54.5	54%	0.541	25%	0.252	S	S	.	.	S	Bend	trans	-81.2	-7	179.2	-66.5	-63.2	0	0	0	113.7	L696 S703	L696-Y701 HydrophobicContact CB-CD2 4.35Å; L696-Y701 HydrophobicContact CB-CE2 4.21Å; L696-Y701 WeakPolarHBondContact O-CD2 3.38Å; L696-Y701 PolarHBondContact O-N 2.8Å; Y701-S703 PolarHBondContact O-N 2.89Å
702	N	74.6	Confident	78.9	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	27%	0.267	C	S	.	.			trans	-74.3	111.8	-178	-173.2	-8.1	0	0	0	112.3	Y698 V700 E704 V705 R706	Y698-N702 WeakPolarHBondContact O-CB 3.43Å; Y698-N702 PolarHBondContact O-ND2 2.9Å; V700-N702 VanDerWaalsContact C-N 3.3Å; V700-N702 PolarHBondContact O-N 2.88Å; N702-E704 VanDerWaalsContact C-N 3.26Å; N702-E704 PolarHBondContact O-N 2.89Å; N702-E704 PolarHBondContact OD1-N 3.14Å; N702-V705 HydrophobicContact CB-CB 4.12Å; N702-V705 HydrophobicContact CB-CG2 3.95Å; N702-V705 PolarHBondContact O-N 3.48Å; N702-V705 VanDerWaalsContact O-N 3.14Å; N702-R706 WeakPolarHBondContact O-CG 3.48Å; N702-R706 PolarHBondContact O-N 2.84Å
703	S	71.6	Confident	78.7	Confident	43 Å²	43	61 Å²	61	30%	0.301	28%	0.28	S	S	.	.	H	α-helix	trans	-50.9	-38.3	176	48.3	0	0	0	0	114.4	R654 Y701 N707	R654-S703 PolarHBondContact NH1-OG 3.03Å; R654-S703 PolarHBondContact NH2-OG 3.48Å; Y701-S703 PolarHBondContact O-N 2.89Å; S703-N707 VanDerWaalsContact O-CB 3.26Å; S703-N707 WeakPolarHBondContact O-CB 3.25Å; S703-N707 PolarHBondContact O-N 3.48Å; S703-N707 PolarHBondContact O-ND2 3.24Å
704	E	72.8	Confident	78.7	Confident	77 Å²	77	62.5 Å²	62.5	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-68.1	-42.7	-179.7	-66.2	171.4	-147.8	0	0	111.2	N702 N707 A708	N702-E704 VanDerWaalsContact C-N 3.26Å; N702-E704 PolarHBondContact O-N 2.89Å; N702-E704 PolarHBondContact OD1-N 3.14Å; E704-N707 PolarHBondContact O-N 3.36Å; E704-A708 WeakPolarHBondContact O-CB 3.43Å; E704-A708 PolarHBondContact O-N 3.43Å
705	V	74.3	Confident	78.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-48.3	178.9	176.8	0	0	0	0	110.6	L476 F477 V482 A699 N702 N707 A708 I709	L476-V705 HydrophobicContact CD2-CG1 3.47Å; L476-V705 VanDerWaalsContact CD2-CG1 3.47Å; F477-V705 HydrophobicContact CD1-CG2 4.46Å; F477-V705 HydrophobicContact CE1-CG2 3.84Å; V482-V705 HydrophobicContact CG2-CG2 4.28Å; A699-V705 WeakPolarHBondContact O-CG1 3.22Å; N702-V705 HydrophobicContact CB-CB 4.12Å; N702-V705 HydrophobicContact CB-CG2 3.95Å; N702-V705 PolarHBondContact O-N 3.48Å; N702-V705 VanDerWaalsContact O-N 3.14Å; V705-N707 VanDerWaalsContact C-N 3.25Å; V705-N707 PolarHBondContact O-N 2.89Å; V705-A708 PolarHBondContact O-N 3.33Å; V705-I709 HydrophobicContact CG1-CD1 3.85Å; V705-I709 HydrophobicContact CG1-CG1 4.44Å; V705-I709 WeakPolarHBondContact O-CG1 3.43Å; V705-I709 PolarHBondContact O-N 3.31Å
706	R	79.5	Confident	78.1	Confident	158 Å²	158	76.8 Å²	76.8	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-55.7	-41	174.3	-67.6	178.9	75.6	-127.9	4.5	111.7	V700 N702 K710	V700-R706 VanDerWaalsContact O-CD 3.27Å; V700-R706 WeakPolarHBondContact O-CD 3.38Å; V700-R706 WeakPolarHBondContact O-CG 3.32Å; N702-R706 WeakPolarHBondContact O-CG 3.48Å; N702-R706 PolarHBondContact O-N 2.84Å; R706-K710 WeakPolarHBondContact O-CB 3.31Å; R706-K710 PolarHBondContact O-N 3Å
707	N	79.3	Confident	77.9	Confident	88 Å²	88	79.6 Å²	79.6	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-74.1	-27.9	177.6	-70.8	-11.2	0	0	0	113.4	S703 E704 V705 R711	S703-N707 VanDerWaalsContact O-CB 3.26Å; S703-N707 WeakPolarHBondContact O-CB 3.25Å; S703-N707 PolarHBondContact O-N 3.48Å; S703-N707 PolarHBondContact O-ND2 3.24Å; E704-N707 PolarHBondContact O-N 3.36Å; V705-N707 VanDerWaalsContact C-N 3.25Å; V705-N707 PolarHBondContact O-N 2.89Å; N707-R711 WeakPolarHBondContact O-CB 3.49Å; N707-R711 VanDerWaalsContact O-CG 3.29Å; N707-R711 WeakPolarHBondContact O-CG 3.34Å; N707-R711 PolarHBondContact O-N 3.34Å; N707-R711 VanDerWaalsContact O-N 3.16Å; N707-R711 PolarHBondContact O-NE 3.16Å
708	A	77.7	Confident	77.6	Confident	4 Å²	4	81.6 Å²	81.6	3%	0.033	37%	0.373	C	S	.	.	H	α-helix	trans	-70	-47.3	169.4	0	0	0	0	0	111.5	V480 E704 V705 K710 R711 I712	V480-A708 HydrophobicContact CG1-CB 3.5Å; E704-A708 WeakPolarHBondContact O-CB 3.43Å; E704-A708 PolarHBondContact O-N 3.43Å; V705-A708 PolarHBondContact O-N 3.33Å; A708-K710 VanDerWaalsContact C-N 3.33Å; A708-K710 PolarHBondContact O-N 3.45Å; A708-R711 PolarHBondContact O-N 3.07Å; A708-I712 WeakPolarHBondContact O-CG1 3.35Å; A708-I712 PolarHBondContact O-N 3.27Å
709	I	78.6	Confident	77.1	Confident	74 Å²	74	87.1 Å²	87.1	38%	0.379	40%	0.402	S	S	.	.	H	α-helix	trans	-59.2	-42.9	174.9	-65.6	169.6	0	0	0	110.9	V480 V705 I712 K713	V480-I709 HydrophobicContact CG1-CG1 3.87Å; V480-I709 HydrophobicContact CG2-CD1 4.43Å; V480-I709 HydrophobicContact CG2-CG1 3.94Å; V705-I709 HydrophobicContact CG1-CD1 3.85Å; V705-I709 HydrophobicContact CG1-CG1 4.44Å; V705-I709 WeakPolarHBondContact O-CG1 3.43Å; V705-I709 PolarHBondContact O-N 3.31Å; I709-I712 PolarHBondContact O-N 3.11Å; I709-K713 WeakPolarHBondContact O-CB 3.42Å; I709-K713 PolarHBondContact O-N 3.18Å
710	K	80.4	Confident	76.4	Confident	118 Å²	118	90.3 Å²	90.3	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-58.8	-49.7	175.3	-170	177.2	-175	-86.9	0	111.3	R706 A708 I712 K713 E714	R706-K710 WeakPolarHBondContact O-CB 3.31Å; R706-K710 PolarHBondContact O-N 3Å; A708-K710 VanDerWaalsContact C-N 3.33Å; A708-K710 PolarHBondContact O-N 3.45Å; K710-I712 VanDerWaalsContact C-N 3.32Å; K710-I712 PolarHBondContact O-N 3.36Å; K710-K713 PolarHBondContact O-N 3.45Å; K710-K713 VanDerWaalsContact O-N 3.14Å; K710-E714 WeakPolarHBondContact CE-OE1 3.43Å; K710-E714 HydrophobicContact CG-CG 4.5Å; K710-E714 WeakPolarHBondContact CG-OE1 3.38Å; K710-E714 IonicContact NZ-OE1 3.23Å; K710-E714 PolarHBondContact NZ-OE1 3.36Å; K710-E714 IonicContact NZ-OE2 2.91Å; K710-E714 WeakPolarHBondContact O-CB 3.48Å; K710-E714 VanDerWaalsContact O-CG 3.31Å; K710-E714 WeakPolarHBondContact O-CG 3.43Å; K710-E714 PolarHBondContact O-N 3.48Å
711	R	81.1	Confident	75.4	Confident	129 Å²	129	94.5 Å²	94.5	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-36.9	176	-74.9	178.3	-66.4	164	0.5	113.1	N707 A708 K715	N707-R711 WeakPolarHBondContact O-CB 3.49Å; N707-R711 VanDerWaalsContact O-CG 3.29Å; N707-R711 WeakPolarHBondContact O-CG 3.34Å; N707-R711 PolarHBondContact O-N 3.34Å; N707-R711 VanDerWaalsContact O-N 3.16Å; N707-R711 PolarHBondContact O-NE 3.16Å; A708-R711 PolarHBondContact O-N 3.07Å; R711-K715 WeakPolarHBondContact O-CB 3.35Å; R711-K715 WeakPolarHBondContact O-CG 3.33Å; R711-K715 PolarHBondContact O-N 3.37Å
712	I	79.9	Confident	74.6	Confident	59 Å²	59	92.5 Å²	92.5	30%	0.303	44%	0.44	S	S	.	.	H	α-helix	trans	-68.3	-43	174.6	-67.8	168.3	0	0	0	110.9	V480 A708 I709 K710 E714 K715 R716	V480-I712 HydrophobicContact CB-CD1 4.5Å; V480-I712 HydrophobicContact CG1-CD1 4.12Å; V480-I712 WeakPolarHBondContact O-CD1 3.17Å; A708-I712 WeakPolarHBondContact O-CG1 3.35Å; A708-I712 PolarHBondContact O-N 3.27Å; I709-I712 PolarHBondContact O-N 3.11Å; K710-I712 VanDerWaalsContact C-N 3.32Å; K710-I712 PolarHBondContact O-N 3.36Å; I712-E714 VanDerWaalsContact C-N 3.32Å; I712-E714 PolarHBondContact O-N 2.94Å; I712-K715 PolarHBondContact O-N 3.42Å; I712-R716 WeakPolarHBondContact O-CG 3.4Å; I712-R716 PolarHBondContact O-N 2.85Å
713	K	79.9	Confident	73.6	Confident	142 Å²	142	99.5 Å²	99.5	62%	0.617	48%	0.477	S	S	*	.	H	α-helix	trans	-64.4	-37.2	176.8	-168.7	169.2	-176.2	171.3	0	111.8	I709 K710 K717	I709-K713 WeakPolarHBondContact O-CB 3.42Å; I709-K713 PolarHBondContact O-N 3.18Å; K710-K713 PolarHBondContact O-N 3.45Å; K710-K713 VanDerWaalsContact O-N 3.14Å; K713-K717 WeakPolarHBondContact O-CG 3.35Å; K713-K717 PolarHBondContact O-N 2.63Å
714	E	83.1	Confident	72.6	Confident	88 Å²	88	102.9 Å²	102.9	41%	0.411	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-45	173.9	-72.9	164	163.8	0	0	111.8	K710 I712 R716 K717 A718	K710-E714 WeakPolarHBondContact CE-OE1 3.43Å; K710-E714 HydrophobicContact CG-CG 4.5Å; K710-E714 WeakPolarHBondContact CG-OE1 3.38Å; K710-E714 IonicContact NZ-OE1 3.23Å; K710-E714 PolarHBondContact NZ-OE1 3.36Å; K710-E714 IonicContact NZ-OE2 2.91Å; K710-E714 WeakPolarHBondContact O-CB 3.48Å; K710-E714 VanDerWaalsContact O-CG 3.31Å; K710-E714 WeakPolarHBondContact O-CG 3.43Å; K710-E714 PolarHBondContact O-N 3.48Å; I712-E714 VanDerWaalsContact C-N 3.32Å; I712-E714 PolarHBondContact O-N 2.94Å; E714-R716 PolarHBondContact O-N 3.47Å; E714-K717 PolarHBondContact O-N 3.29Å; E714-A718 PolarHBondContact O-N 3.43Å
715	K	79.4	Confident	71.5	Confident	153 Å²	153	103 Å²	103	67%	0.665	51%	0.509	S	S	*	.	H	α-helix	trans	-59.4	-44.4	172.4	-79	-174.4	174.5	-168.1	0	112.6	R711 I712 K717 A718 L719	R711-K715 WeakPolarHBondContact O-CB 3.35Å; R711-K715 WeakPolarHBondContact O-CG 3.33Å; R711-K715 PolarHBondContact O-N 3.37Å; I712-K715 PolarHBondContact O-N 3.42Å; K715-K717 VanDerWaalsContact C-N 3.35Å; K715-K717 PolarHBondContact O-N 2.89Å; K715-A718 PolarHBondContact O-N 3.19Å; K715-L719 WeakPolarHBondContact O-CG 3.45Å; K715-L719 PolarHBondContact O-N 2.71Å
716	R	77.9	Confident	69.9	Low	187 Å²	187	112.3 Å²	112.3	71%	0.706	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-40.6	175.7	-73.8	-175.5	-176.5	-170.3	2.2	111.8	I712 E714 S720	I712-R716 WeakPolarHBondContact O-CG 3.4Å; I712-R716 PolarHBondContact O-N 2.85Å; E714-R716 PolarHBondContact O-N 3.47Å; R716-S720 PolarHBondContact O-N 3.18Å; R716-S720 PolarHBondContact O-OG 2.91Å
717	K	77.3	Confident	68.4	Low	125 Å²	125	110.5 Å²	110.5	54%	0.543	56%	0.561	S	S	.	*	H	α-helix	trans	-62.7	-45.8	173.2	-80.4	-172.7	169.4	-160.9	0	112.7	K713 E714 K715 L719 S720 F721	K713-K717 WeakPolarHBondContact O-CG 3.35Å; K713-K717 PolarHBondContact O-N 2.63Å; E714-K717 PolarHBondContact O-N 3.29Å; K715-K717 VanDerWaalsContact C-N 3.35Å; K715-K717 PolarHBondContact O-N 2.89Å; K717-L719 VanDerWaalsContact C-N 3.34Å; K717-L719 PolarHBondContact O-N 2.88Å; K717-S720 WeakPolarHBondContact CA-OG 3.22Å; K717-S720 PolarHBondContact O-N 3.09Å; K717-S720 PolarHBondContact O-OG 3.29Å; K717-F721 VanDerWaalsContact O-CD2 3.22Å; K717-F721 WeakPolarHBondContact O-CD2 3.37Å; K717-F721 PolarHBondContact O-N 3.12Å; K717-F721 VanDerWaalsContact O-N 3.09Å
718	A	74.4	Confident	67	Low	55 Å²	55	112.6 Å²	112.6	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-60.2	-43.8	178.3	0	0	0	0	0	111.8	E714 K715 S720 F721 T722	E714-A718 PolarHBondContact O-N 3.43Å; K715-A718 PolarHBondContact O-N 3.19Å; A718-S720 VanDerWaalsContact C-N 3.35Å; A718-S720 PolarHBondContact O-N 2.73Å; A718-F721 PolarHBondContact O-N 2.92Å; A718-T722 PolarHBondContact O-N 3.11Å; A718-T722 PolarHBondContact O-OG1 2.96Å
719	L	67.4	Low	65	Low	119 Å²	119	117.6 Å²	117.6	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-61	-40.1	174.5	-72.1	165	0	0	0	112.2	K715 K717 F721 T722 N723	K715-L719 WeakPolarHBondContact O-CG 3.45Å; K715-L719 PolarHBondContact O-N 2.71Å; K717-L719 VanDerWaalsContact C-N 3.34Å; K717-L719 PolarHBondContact O-N 2.88Å; L719-F721 VanDerWaalsContact C-N 3.33Å; L719-F721 PolarHBondContact O-N 3.02Å; L719-T722 PolarHBondContact O-N 3.1Å; L719-N723 PolarHBondContact O-N 3.44Å
720	S	62.3	Low	63	Low	70 Å²	70	124 Å²	124	49%	0.49	64%	0.638	S	S	.	*	H	α-helix	trans	-67.5	-27.3	175.1	57	0	0	0	0	114.4	R716 K717 A718	R716-S720 PolarHBondContact O-N 3.18Å; R716-S720 PolarHBondContact O-OG 2.91Å; K717-S720 WeakPolarHBondContact CA-OG 3.22Å; K717-S720 PolarHBondContact O-N 3.09Å; K717-S720 PolarHBondContact O-OG 3.29Å; A718-S720 VanDerWaalsContact C-N 3.35Å; A718-S720 PolarHBondContact O-N 2.73Å
721	F	58.2	Low	61	Low	151 Å²	151	126 Å²	126	66%	0.662	65%	0.653	S	S	*	*	H	α-helix	trans	-78.8	-32.9	173.3	-78.5	-67.3	0	0	0	112.9	K717 A718 L719 N723 C724 S725	K717-F721 VanDerWaalsContact O-CD2 3.22Å; K717-F721 WeakPolarHBondContact O-CD2 3.37Å; K717-F721 PolarHBondContact O-N 3.12Å; K717-F721 VanDerWaalsContact O-N 3.09Å; A718-F721 PolarHBondContact O-N 2.92Å; L719-F721 VanDerWaalsContact C-N 3.33Å; L719-F721 PolarHBondContact O-N 3.02Å; F721-N723 VanDerWaalsContact C-N 3.32Å; F721-N723 PolarHBondContact O-N 3.45Å; F721-C724 PolarHBondContact O-N 3.2Å; F721-C724 VanDerWaalsContact O-N 3.1Å; F721-S725 PolarHBondContact O-OG 3.39Å
722	T	57.2	Low	59.2	Low	95 Å²	95	125.8 Å²	125.8	58%	0.583	67%	0.668	S	S	*	*	H	α-helix	trans	-64.4	-37.5	178.8	-49.5	0	0	0	0	111.3	A718 L719 C724 S725	A718-T722 PolarHBondContact O-N 3.11Å; A718-T722 PolarHBondContact O-OG1 2.96Å; L719-T722 PolarHBondContact O-N 3.1Å; T722-C724 PolarHBondContact O-N 3.13Å; T722-C724 VanDerWaalsContact O-N 3.12Å; T722-S725 PolarHBondContact O-N 3.4Å; T722-S725 PolarHBondContact O-OG 2.73Å
723	N	52.5	Low	57.3	Low	155 Å²	155	128 Å²	128	83%	0.829	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-6	174.6	-95.7	0	0	0	0	114.9	L719 F721	L719-N723 PolarHBondContact O-N 3.44Å; F721-N723 VanDerWaalsContact C-N 3.32Å; F721-N723 PolarHBondContact O-N 3.45Å
724	C	51.9	Low	55.3	Low	113 Å²	113	128.5 Å²	128.5	76%	0.764	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	13.2	178	-61.9	0	0	0	0	113.3	F721 T722	F721-C724 PolarHBondContact O-N 3.2Å; F721-C724 VanDerWaalsContact O-N 3.1Å; T722-C724 PolarHBondContact O-N 3.13Å; T722-C724 VanDerWaalsContact O-N 3.12Å
725	S	49.1	Very low	52.8	Low	80 Å²	80	134.6 Å²	134.6	56%	0.559	71%	0.713	S	S	*	*			trans	-134.4	59.7	-170.5	40.4	0	0	0	0	115	F721 T722	F721-S725 PolarHBondContact O-OG 3.39Å; T722-S725 PolarHBondContact O-N 3.4Å; T722-S725 PolarHBondContact O-OG 2.73Å
726	Q	41.3	Very low	50.6	Low	195 Å²	195	131.5 Å²	131.5	91%	0.911	72%	0.716	S	S	*	*			trans	-123.3	113.5	156	-80.3	-164.6	-20.9	0	0	110.8
727	P	47	Very low	49.3	Very low	120 Å²	120	128 Å²	128	78%	0.779	72%	0.717	S	S	*	*			trans	-100.7	121.9	178.3	34.5	-29.5	0	0	0	114.3
728	T	51.4	Low	47	Very low	133 Å²	133	127.6 Å²	127.6	82%	0.816	73%	0.725	S	S	*	*			trans	-3.4	134.9	154.8	53.4	0	0	0	0	121.7
729	S	35.5	Very low	45	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	74%	0.741	S	S	*	*			trans	-159.6	108.5	144.1	60.8	0	0	0	0	115.4
730	F	35.5	Very low	43.3	Very low	209 Å²	209	129.5 Å²	129.5	92%	0.917	74%	0.74	S	S	*	*			trans	45.9	146.9	143.7	-56.1	-76.4	0	0	0	125.7
731	L	38.4	Very low	41.8	Very low	160 Å²	160	136.9 Å²	136.9	84%	0.838	76%	0.757	S	S	*	*			trans	-73.4	170.6	171	-84.2	166.7	0	0	0	112.6
732	P	44.3	Very low	40.6	Very low	123 Å²	123	133.6 Å²	133.6	80%	0.799	75%	0.753	S	S	*	*			cis	-142.9	177.5	32.2	43	-23.2	0	0	0	119.3
733	S	40.1	Very low	39.3	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	77%	0.766	S	S	*	*			trans	-76.6	148	175.3	169.4	0	0	0	0	113.8
734	Q	37.2	Very low	38.5	Very low	153 Å²	153	137.7 Å²	137.7	72%	0.715	76%	0.762	S	S	*	*				-158.5	145.4	129.2	-126	-172.2	74.7	0	0	116.3
735	R	30	Very low	38.3	Very low	217 Å²	217	138.1 Å²	138.1	82%	0.819	76%	0.764	S	S	*	*			trans	89.4	138.6	154.7	-141	160.9	-67.8	-173	0.6	118
736	A	34.1	Very low	38.3	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	77%	0.773	S	S	*	*			trans	-136.2	-161.2	-163.6	0	0	0	0	0	109.1
737	P	49.3	Very low	37.9	Very low	113 Å²	113	136.6 Å²	136.6	73%	0.734	77%	0.767	S	S	*	*			cis	-103.6	-146.3	-0.1	23.9	0.6	0	0	0	111.1
738	T	30.3	Very low	37.2	Very low	116 Å²	116	135.8 Å²	135.8	71%	0.712	76%	0.764	S	S	*	*			cis	-169.5	162.8	17.3	-14.9	0	0	0	0	106.8
739	T	32.8	Very low	36.2	Very low	130 Å²	130	134.6 Å²	134.6	80%	0.798	76%	0.761	S	S	*	*			cis	-145.8	-129.7	9.2	-38.9	0	0	0	0	110.2
740	S	31.8	Very low	36.1	Very low	84 Å²	84	134.8 Å²	134.8	59%	0.587	76%	0.763	S	S	*	*			trans	-103	170.5	176.9	53.1	0	0	0	0	110.8
741	W	30.8	Very low	36.6	Very low	226 Å²	226	130 Å²	130	86%	0.856	75%	0.752	S	S	*	*			cis	-145.3	132	42.3	-78.8	67.9	0	0	0	114.9
742	S	32.1	Very low	36.1	Very low	81 Å²	81	130.3 Å²	130.3	57%	0.566	75%	0.749	S	S	*	*				8.7	151.4	129.4	68.3	0	0	0	0	120.8
743	R	30.3	Very low	35.4	Very low	228 Å²	228	130.3 Å²	130.3	86%	0.86	75%	0.747	S	S	*	*			cis	-138.9	149.2	21	-70.7	178.6	179.2	-179.6	-1.6	109.5
744	S	36.2	Very low	34.9	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	74%	0.744	S	S	*	*				73.7	144.4	54.2	-43.9	0	0	0	0	114.9
745	P	47.6	Very low	34.4	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	75%	0.747	S	S	*	*			cis	-136.2	-143.1	-21.3	38.1	-13.5	0	0	0	113.5
746	P	49.3	Very low	34.4	Very low	114 Å²	114	125.4 Å²	125.4	74%	0.74	75%	0.746	S	S	*	*				-138.9	-155.9	-105.7	47.5	-26.1	0	0	0	118
747	T	32.5	Very low	34.2	Very low	129 Å²	129	126.9 Å²	126.9	79%	0.791	75%	0.751	S	S	*	*			trans	-39.7	166.9	167.5	31.7	0	0	0	0	118.5
748	S	31.4	Very low	33.2	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	75%	0.753	S	S	*	*			cis	-156.4	-147.8	-2.1	41.5	0	0	0	0	109.9
749	S	31.2	Very low	33.7	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	76%	0.757	S	S	*	*			cis	-165.6	174.8	19.5	-39.1	0	0	0	0	113.2
750	S	33.2	Very low	33.4	Very low	113 Å²	113	127 Å²	127	79%	0.79	76%	0.76	S	S	*	*			trans	-74.6	-179.2	163.5	-38.9	0	0	0	0	112.4
751	P	46	Very low	33.1	Very low	107 Å²	107	127.7 Å²	127.7	70%	0.695	77%	0.765	S	S	*	*			cis	-146	-172.9	12.6	44.3	-22.6	0	0	0	118.7
752	E	28.3	Very low	32.9	Very low	167 Å²	167	122 Å²	122	78%	0.78	76%	0.759	S	S	*	*			trans	66.9	133.5	142.4	-82.5	170.9	162.8	0	0	126.8
753	T	29.2	Very low	32.7	Very low	124 Å²	124	123.9 Å²	123.9	76%	0.761	77%	0.768	S	S	*	*			trans	78.7	133.4	140.7	50.1	0	0	0	0	125.9
754	S	28.7	Very low	32.5	Very low	94 Å²	94	118.1 Å²	118.1	66%	0.657	76%	0.762	S	S	*	*			trans	67	109.4	140.6	60.9	0	0	0	0	123.9
755	D	28.3	Very low	32	Very low	148 Å²	148	120.3 Å²	120.3	79%	0.791	77%	0.771	S	S	*	*				80.6	127.6	117.6	-56.1	-18.7	0	0	0	125.3
756	T	28.4	Very low	30.8	Very low	129 Å²	129	119 Å²	119	79%	0.791	77%	0.765	S	S	*	*			trans	102	123.8	142.7	-15.8	0	0	0	0	121.4
757	S	30.5	Very low	29.5	Very low	120 Å²	120	121.1 Å²	121.1	84%	0.839	77%	0.769	S	S	*	*			trans	79.5	145	149.5	76.1	0	0	0	0	121.3
758	G	28.4	Very low	29	Very low	75 Å²	75	120.9 Å²	120.9	77%	0.773	77%	0.768	S	S	*	*			trans	100.8	103.5	161.4	0	0	0	0	0	117
759	P	40.1	Very low	28.6	Very low	122 Å²	122	123.1 Å²	123.1	79%	0.792	77%	0.77	S	S	*	*			trans	-108.1	140.1	175.6	36.7	-29	0	0	0	114.4
760	L	26.4	Very low	28.1	Very low	165 Å²	165	126 Å²	126	86%	0.864	77%	0.769	S	S	*	*			trans	-163.4	144.8	141	-141.5	71.5	0	0	0	112.6
761	S	26.3	Very low	27.5	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	76%	0.761	S	S	*	*			trans	32.7	128.5	155.4	59.9	0	0	0	0	119.9
762	S	27.5	Very low	26.4	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	76%	0.759	S	S	*	*				-178.1	153.9	67.1	42.8	0	0	0	0	115
763	T	26.5	Very low	26.1	Very low	122 Å²	122	125.5 Å²	125.5	75%	0.748	76%	0.756	S	S	*	*			trans	42.2	100.3	152.7	42.1	0	0	0	0	122.5
764	S	26.2	Very low	25.7	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	76%	0.758	S	S	*	*				54.3	119.1	119.3	64.8	0	0	0	0	122.3
765	T	25.3	Very low	25.4	Very low	153 Å²	153	129.3 Å²	129.3	94%	0.939	76%	0.762	S	S	*	*			trans	-133.5	164.5	150.6	48.7	0	0	0	0	110.8
766	S	22.2	Very low	25.1	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	76%	0.761	S	S	*	*			trans	-98.4	158	-168.3	59.7	0	0	0	0	115.8
767	L	22.3	Very low	24.8	Very low	157 Å²	157	127.4 Å²	127.4	82%	0.822	75%	0.754	S	S	*	*			trans	67.1	123.7	154	-69.1	155.8	0	0	0	119
768	V	22.7	Very low	24.4	Very low	125 Å²	125	127.9 Å²	127.9	76%	0.758	75%	0.752	S	S	*	*				172.1	117.9	108.8	155.8	0	0	0	0	112
769	I	21.9	Very low	24	Very low	149 Å²	149	131.6 Å²	131.6	76%	0.764	75%	0.753	S	S	*	*			trans	19.2	125.7	142.9	-27.2	172.3	0	0	0	119.7
770	K	21.3	Very low	23.1	Very low	170 Å²	170	129.4 Å²	129.4	74%	0.739	74%	0.741	S	S	*	*				144.5	129.1	107	-164.5	166.8	-177.9	-176.6	0	117.3
771	N	21.8	Very low	22.9	Very low	117 Å²	117	130.1 Å²	130.1	63%	0.626	74%	0.737	S	S	*	*			trans	61.7	157.2	158.9	-76.3	41.1	0	0	0	117.9
772	D	21	Very low	22.7	Very low	121 Å²	121	132.5 Å²	132.5	65%	0.647	74%	0.738	S	S	*	*			cis	-152.1	156.1	0.8	-116.2	-31.7	0	0	0	113.1
773	I	22.1	Very low	22.5	Very low	138 Å²	138	132.9 Å²	132.9	71%	0.708	74%	0.736	S	S	*	*			trans	53.9	111.5	146	-61.8	164.3	0	0	0	122.2
774	K	21.8	Very low	22.3	Very low	189 Å²	189	131.2 Å²	131.2	82%	0.822	74%	0.735	S	S	*	*			trans	58.2	131.4	143.5	-72.4	-176.1	174.6	-176.6	0	123.5
775	C	21.9	Very low	22.1	Very low	108 Å²	108	132.5 Å²	132.5	73%	0.73	74%	0.737	S	S	*	*			trans	40.3	132.2	133.1	-57.6	0	0	0	0	120
776	N	21.6	Very low	22.2	Very low	144 Å²	144	130 Å²	130	77%	0.77	72%	0.724	S	S	*	*			cis	-164.9	151.6	37.8	-127.7	8.4	0	0	0	114.4
777	S	22.5	Very low	22.2	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	73%	0.728	S	S	*	*			trans	60.8	125	139.9	73.6	0	0	0	0	124.3
778	V	22.2	Very low	22.2	Very low	130 Å²	130	128.5 Å²	128.5	79%	0.788	72%	0.721	S	S	*	*			trans	67.1	112.9	149.4	-136.5	0	0	0	0	121.6
779	L	21.1	Very low	22.2	Very low	152 Å²	152	127.8 Å²	127.8	80%	0.796	72%	0.722	S	S	*	*				-178.9	124.2	107.1	-119.2	88.5	0	0	0	114.4
780	S	21.3	Very low	22.2	Very low	77 Å²	77	126.1 Å²	126.1	54%	0.538	72%	0.718	S	S	.	*			trans	32.7	148.8	140.6	66.4	0	0	0	0	125.9
781	F	21.5	Very low	22.2	Very low	180 Å²	180	127.9 Å²	127.9	79%	0.789	73%	0.727	S	S	*	*			trans	74.2	149.7	151.2	-67.5	-50.5	0	0	0	119.5
782	Q	21.9	Very low	22.3	Very low	146 Å²	146	128.9 Å²	128.9	68%	0.682	73%	0.731	S	S	*	*			cis	-166.7	160.2	-26	-152.6	-178.9	-23.7	0	0	111.2
783	T	22.8	Very low	22.3	Very low	114 Å²	114	128.9 Å²	128.9	70%	0.699	74%	0.741	S	S	*	*			trans	58.8	124	152.1	36.9	0	0	0	0	123.5
784	A	23	Very low	22.3	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	75%	0.745	S	S	*	*			trans	73.2	161.2	132.4	0	0	0	0	0	118.9
785	V	22.9	Very low	22.4	Very low	133 Å²	133	124 Å²	124	81%	0.806	74%	0.742	S	S	*	*			cis	-127.5	-122.4	15.2	-151.8	0	0	0	0	114.2
786	P	25.9	Very low	22.7	Very low	102 Å²	102	129.6 Å²	129.6	66%	0.662	77%	0.772	S	S	*	*				-91.5	165.4	-112.5	28.7	-10.8	0	0	0	114.3
787	S	22.1	Very low	22.8	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	77%	0.772	S	S	*	*			cis	68.1	137.9	44.4	101.9	0	0	0	0	113.3
788	V	22.9	Very low	22.8	Very low	114 Å²	114	130.7 Å²	130.7	69%	0.691	78%	0.778	S	S	*	*			cis	-149.6	148.3	1.9	178.4	0	0	0	0	109.6	V790	V788-V790 HydrophobicContact CG1-CG2 4.33Å
789	S	22.1	Very low	22.8	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	78%	0.778	S	S	*	*			trans	154.3	107.5	135.7	-68.2	0	0	0	0	111.2
790	V	22.9	Very low	22.9	Very low	114 Å²	114	129.5 Å²	129.5	69%	0.691	78%	0.777	S	S	*	*				71.7	111.5	70.2	177.5	0	0	0	0	114.5	V788	V788-V790 HydrophobicContact CG1-CG2 4.33Å
791	F	21.7	Very low	23	Very low	208 Å²	208	132.8 Å²	132.8	91%	0.912	79%	0.792	S	S	*	*			trans	-152.5	158.3	141	-121.5	-82.2	0	0	0	110.2
792	L	22.6	Very low	23.1	Very low	137 Å²	137	129.6 Å²	129.6	72%	0.717	79%	0.792	S	S	*	*			trans	-96.6	158.3	-172	-69.2	76.4	0	0	0	113.3	L794	L792-L794 HydrophobicContact CD2-CD1 4.48Å
793	S	21.7	Very low	23.2	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	80%	0.8	S	S	*	*			trans	-147.8	164.6	133.3	-161.6	0	0	0	0	110.7
794	L	22.3	Very low	23.2	Very low	150 Å²	150	129.5 Å²	129.5	79%	0.785	81%	0.807	S	S	*	*			trans	-123.7	152.8	-179.8	-71.7	93	0	0	0	111.8	L792	L792-L794 HydrophobicContact CD2-CD1 4.48Å
795	G	23.6	Very low	23.3	Very low	75 Å²	75	133 Å²	133	77%	0.773	81%	0.814	S	S	*	*			trans	83.4	147.3	163.1	0	0	0	0	0	114.7
796	V	28.5	Very low	23.3	Very low	224 Å²	224	133 Å²	133	100%	1.358	82%	0.815	S	S	*	*			cis	-123.5	0	2.4	168.9	0	0	0	0	109.6

Retrieved 796 of 796 residues in 1098.8 ms (Link to these results)

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