A0A077Z7W6_TRITR Loading...

Aspartyl tRNA synthetase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z7W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	61.6	Low	203 Å²	203	141.8 Å²	141.8	100%	1	64%	0.639	S	S	*	*				0	-53.1	0	-101.9	-172.8	-97	0	0	113.1	L3 L4 F5	M1-L3 PolarHBondContact O-N 3.43Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-F5 PolarHBondContact O-N 3.29Å
2	I	63.7	Low	61.7	Low	129 Å²	129	139.9 Å²	139.9	66%	0.662	64%	0.638	S	S	*	*	H	α-helix	trans	-53.5	-49.4	-179.7	-63.4	170.5	0	0	0	112.4	L4 F5 E6	I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 3.17Å; I2-F5 WeakPolarHBondContact O-CA 3.43Å; I2-F5 WeakPolarHBondContact O-CB 3.42Å; I2-F5 PolarHBondContact O-N 3.47Å; I2-E6 HydrophobicContact CG2-CG 4.41Å; I2-E6 PolarHBondContact O-N 2.98Å
3	L	48.3	Very low	61.6	Low	119 Å²	119	138.2 Å²	138.2	62%	0.623	64%	0.636	S	S	*	*	H	α-helix	trans	-58.5	-33.7	175.9	-78.5	161.5	0	0	0	114.2	M1 R7	M1-L3 PolarHBondContact O-N 3.43Å; L3-R7 WeakPolarHBondContact O-CB 3.49Å; L3-R7 WeakPolarHBondContact O-CG 3.44Å; L3-R7 PolarHBondContact O-N 3.41Å
4	L	56.7	Low	61.3	Low	113 Å²	113	130.4 Å²	130.4	59%	0.592	60%	0.604	S	S	*	*	H	α-helix	trans	-72.8	-37.4	175.7	-83.1	157.8	0	0	0	111.1	M1 I2 R8	M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.93Å; I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 3.17Å; L4-R8 PolarHBondContact O-N 3.23Å
5	F	66.2	Low	60.7	Low	142 Å²	142	127.5 Å²	127.5	62%	0.623	60%	0.604	S	S	*	*	H	α-helix	trans	-67.2	-46.1	176.8	-163.4	-94.4	0	0	0	111.3	M1 I2 R7 R8 L9	M1-F5 PolarHBondContact O-N 3.29Å; I2-F5 WeakPolarHBondContact O-CA 3.43Å; I2-F5 WeakPolarHBondContact O-CB 3.42Å; I2-F5 PolarHBondContact O-N 3.47Å; F5-R7 VanDerWaalsContact C-N 3.33Å; F5-R7 PolarHBondContact O-N 3.01Å; F5-R8 PolarHBondContact O-N 3.15Å; F5-L9 HydrophobicContact CE1-CD1 4.41Å; F5-L9 WeakPolarHBondContact O-CB 3.28Å; F5-L9 PolarHBondContact O-N 2.77Å
6	E	68.2	Low	59.9	Low	114 Å²	114	134.3 Å²	134.3	53%	0.533	62%	0.622	S	S	.	*	H	α-helix	trans	-58.5	-42.8	174.8	-72.5	179.3	164	0	0	112.1	I2 L9 H10	I2-E6 HydrophobicContact CG2-CG 4.41Å; I2-E6 PolarHBondContact O-N 2.98Å; E6-L9 PolarHBondContact O-N 3.39Å; E6-H10 WeakPolarHBondContact O-CB 3.46Å; E6-H10 PolarHBondContact O-N 2.99Å
7	R	67.2	Low	59.1	Low	183 Å²	183	134.8 Å²	134.8	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-63.1	-43.3	175.8	-75.1	174.1	-176.8	-167.2	1.5	112.5	L3 F5 R11	L3-R7 WeakPolarHBondContact O-CB 3.49Å; L3-R7 WeakPolarHBondContact O-CG 3.44Å; L3-R7 PolarHBondContact O-N 3.41Å; F5-R7 VanDerWaalsContact C-N 3.33Å; F5-R7 PolarHBondContact O-N 3.01Å; R7-R11 PolarHBondContact O-N 2.65Å; R7-R11 VanDerWaalsContact O-N 3.1Å
8	R	65.4	Low	58.1	Low	188 Å²	188	130.6 Å²	130.6	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-66	-42.6	176.6	-79.1	-174.2	176.8	-172.3	-0.3	111.6	L4 F5 R11 L12	L4-R8 PolarHBondContact O-N 3.23Å; F5-R8 PolarHBondContact O-N 3.15Å; R8-R11 PolarHBondContact O-N 2.92Å; R8-L12 WeakPolarHBondContact O-CG 3.49Å; R8-L12 PolarHBondContact O-N 2.93Å
9	L	66.8	Low	57.8	Low	89 Å²	89	134.9 Å²	134.9	47%	0.466	64%	0.637	S	S	.	*	H	α-helix	trans	-62.7	-45.1	178	-159.3	84	0	0	0	111.2	F5 E6 R11 L12 L13	F5-L9 HydrophobicContact CE1-CD1 4.41Å; F5-L9 WeakPolarHBondContact O-CB 3.28Å; F5-L9 PolarHBondContact O-N 2.77Å; E6-L9 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.53Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-L13 HydrophobicContact CD2-CD1 4.47Å; L9-L13 HydrophobicContact CG-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.33Å
10	H	64.6	Low	57.4	Low	88 Å²	88	135.3 Å²	135.3	41%	0.407	64%	0.644	S	S	.	*	H	α-helix	trans	-60.9	-41.9	176.5	-171.2	64.2	0	0	0	112.1	E6 L13 C14	E6-H10 WeakPolarHBondContact O-CB 3.46Å; E6-H10 PolarHBondContact O-N 2.99Å; H10-L13 PolarHBondContact O-N 3.19Å; H10-C14 PolarHBondContact O-N 2.88Å; H10-C14 VanDerWaalsContact O-N 3.1Å; H10-C14 PolarHBondContact O-SG 3.04Å
11	R	66	Low	57	Low	192 Å²	192	136.1 Å²	136.1	73%	0.725	66%	0.657	S	S	*	*	H	α-helix	trans	-63.1	-45.2	175	-172.3	178	179.2	-176.7	0.2	112.1	R7 R8 L9 C14 C15	R7-R11 PolarHBondContact O-N 2.65Å; R7-R11 VanDerWaalsContact O-N 3.1Å; R8-R11 PolarHBondContact O-N 2.92Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 2.53Å; R11-C14 PolarHBondContact O-N 2.99Å; R11-C15 PolarHBondContact O-N 2.99Å; R11-C15 PolarHBondContact O-SG 2.92Å; R11-C15 VanDerWaalsContact O-SG 3.36Å
12	L	62	Low	57.4	Low	119 Å²	119	136.4 Å²	136.4	62%	0.623	65%	0.647	S	S	*	*	H	α-helix	trans	-62.7	-42	177.8	-74.5	166.5	0	0	0	112.1	R8 L9 C14 C15 W16	R8-L12 WeakPolarHBondContact O-CG 3.49Å; R8-L12 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 3.21Å; L12-C14 VanDerWaalsContact C-N 3.27Å; L12-C14 PolarHBondContact O-N 2.88Å; L12-C15 PolarHBondContact O-N 2.83Å; L12-C15 VanDerWaalsContact O-N 3.17Å; L12-W16 PolarHBondContact O-N 2.86Å
13	L	60.2	Low	57.2	Low	117 Å²	117	141.3 Å²	141.3	61%	0.613	66%	0.657	S	S	*	*	H	α-helix	trans	-62.3	-33.1	175	-73.4	166.9	0	0	0	112.5	L9 H10	L9-L13 HydrophobicContact CD2-CD1 4.47Å; L9-L13 HydrophobicContact CG-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.33Å; H10-L13 PolarHBondContact O-N 3.19Å
14	C	57.7	Low	58.5	Low	29 Å²	29	138.9 Å²	138.9	20%	0.196	65%	0.649	C	S	.	*	H	α-helix	trans	-76.2	-30.5	174.5	-65.7	0	0	0	0	113.1	H10 R11 L12 F29	H10-C14 PolarHBondContact O-N 2.88Å; H10-C14 VanDerWaalsContact O-N 3.1Å; H10-C14 PolarHBondContact O-SG 3.04Å; R11-C14 PolarHBondContact O-N 2.99Å; L12-C14 VanDerWaalsContact C-N 3.27Å; L12-C14 PolarHBondContact O-N 2.88Å; C14-F29 HydrophobicContact CB-CD1 3.97Å; C14-F29 HydrophobicContact CB-CE1 4.22Å
15	C	53.1	Low	59.5	Low	88 Å²	88	136.1 Å²	136.1	60%	0.595	64%	0.639	S	S	*	*	H	α-helix	trans	-84.8	-17.2	-176.1	-72.9	0	0	0	0	114.7	R11 L12 F17	R11-C15 PolarHBondContact O-N 2.99Å; R11-C15 PolarHBondContact O-SG 2.92Å; R11-C15 VanDerWaalsContact O-SG 3.36Å; L12-C15 PolarHBondContact O-N 2.83Å; L12-C15 VanDerWaalsContact O-N 3.17Å; C15-F17 PolarHBondContact O-N 2.98Å; C15-F17 VanDerWaalsContact O-N 3.07Å
16	W	47.8	Very low	60.1	Low	235 Å²	235	132.3 Å²	132.3	89%	0.89	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	4.4	-176	-142	65.7	0	0	0	114.6	L12 G18	L12-W16 PolarHBondContact O-N 2.86Å; W16-G18 PolarHBondContact O-N 2.99Å
17	F	46.1	Very low	60.7	Low	144 Å²	144	127.5 Å²	127.5	63%	0.632	61%	0.609	S	S	*	*			trans	-79.3	65.7	168.8	-72.4	-84.3	0	0	0	111	C15	C15-F17 PolarHBondContact O-N 2.98Å; C15-F17 VanDerWaalsContact O-N 3.07Å
18	G	40.8	Very low	61.5	Low	59 Å²	59	120.2 Å²	120.2	61%	0.608	59%	0.586	S	S	*	*			trans	-108.1	133.7	175.9	0	0	0	0	0	112.4	W16	W16-G18 PolarHBondContact O-N 2.99Å
19	K	51.7	Low	62.5	Low	213 Å²	213	117.7 Å²	117.7	93%	0.926	58%	0.58	S	S	*	*	S	Bend	trans	84	-9	164.6	-62.7	-169	175.9	-175.8	0	121.3
20	N	49.5	Very low	63.4	Low	142 Å²	142	115.3 Å²	115.3	76%	0.759	57%	0.571	S	S	*	*	S	Bend	trans	-128.5	107.1	158.8	-83.5	-38.4	0	0	0	106.8	R22	N20-R22 PolarHBondContact O-N 2.88Å
21	V	49.3	Very low	64.4	Low	152 Å²	152	119 Å²	119	92%	0.921	58%	0.582	S	S	*	*			trans	-69.6	76.6	-179.5	-174.3	0	0	0	0	108.5	R23	V21-R23 PolarHBondContact O-N 3.3Å
22	R	55	Low	65.6	Low	209 Å²	209	112.7 Å²	112.7	79%	0.789	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-65	128.7	157.7	-74.8	-173.4	176.4	-174.2	-0.1	105.8	N20 C24	N20-R22 PolarHBondContact O-N 2.88Å; R22-C24 PolarHBondContact O-N 2.89Å; R22-C24 VanDerWaalsContact O-N 3.1Å
23	R	59.5	Low	67.1	Low	233 Å²	233	109.7 Å²	109.7	88%	0.879	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-50.2	121	170.4	-169.9	174.3	-178.6	170	-0.8	107.9	V21 S25	V21-R23 PolarHBondContact O-N 3.3Å; R23-S25 PolarHBondContact O-N 2.77Å
24	C	74.5	Confident	68.7	Low	67 Å²	67	105.6 Å²	105.6	45%	0.453	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.4	140.1	174.9	-71.5	0	0	0	0	109.3	R22 F29	R22-C24 PolarHBondContact O-N 2.89Å; R22-C24 VanDerWaalsContact O-N 3.1Å; C24-F29 HydrophobicContact CB-CE2 4.17Å
25	S	77.7	Confident	70.4	Confident	56 Å²	56	104.5 Å²	104.5	39%	0.392	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-77.4	166.3	176.3	70.5	0	0	0	0	110.5	R23 T27 S28	R23-S25 PolarHBondContact O-N 2.77Å; S25-T27 PolarHBondContact O-N 2.85Å; S25-T27 VanDerWaalsContact O-N 3.08Å; S25-T27 PolarHBondContact OG-N 2.84Å; S25-T27 PolarHBondContact OG-OG1 3.12Å; S25-S28 PolarHBondContact N-OG 3.26Å; S25-S28 VanDerWaalsContact N-OG 3.07Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 2.74Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact O-OG 2.87Å; S25-S28 PolarHBondContact OG-N 2.8Å; S25-S28 PolarHBondContact OG-OG 3.26Å
26	S	78.1	Confident	72.3	Confident	61 Å²	61	100.3 Å²	100.3	43%	0.427	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.5	172.9	49.8	0	0	0	0	114.2	T35 Y69	S26-T35 VanDerWaalsContact OG-CG2 3.23Å; S26-T35 WeakPolarHBondContact OG-CG2 3.49Å; S26-Y69 WeakPolarHBondContact CB-OH 3.4Å
27	T	82.2	Confident	74.4	Confident	14 Å²	14	89.8 Å²	89.8	9%	0.086	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-10.8	177.5	56.5	0	0	0	0	113.9	S25 S30 R32 T33 H34 T35	S25-T27 PolarHBondContact O-N 2.85Å; S25-T27 VanDerWaalsContact O-N 3.08Å; S25-T27 PolarHBondContact OG-N 2.84Å; S25-T27 PolarHBondContact OG-OG1 3.12Å; T27-S30 WeakPolarHBondContact O-CB 3.47Å; T27-S30 PolarHBondContact O-N 2.92Å; T27-S30 PolarHBondContact O-OG 3.02Å; T27-R32 HydrophobicContact CG2-CB 4.03Å; T27-T33 PolarHBondContact OG1-O 3.45Å; T27-H34 VanDerWaalsContact CG2-C 3.46Å; T27-T35 HydrophobicContact CG2-CG2 3.72Å
28	S	84.4	Confident	76.5	Confident	29 Å²	29	85.8 Å²	85.8	20%	0.203	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	141.6	169.5	-60.9	0	0	0	0	109.8	S25 S30	S25-S28 PolarHBondContact N-OG 3.26Å; S25-S28 VanDerWaalsContact N-OG 3.07Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 2.74Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact O-OG 2.87Å; S25-S28 PolarHBondContact OG-N 2.8Å; S25-S28 PolarHBondContact OG-OG 3.26Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 3.24Å
29	F	84.5	Confident	79	Confident	135 Å²	135	83 Å²	83	59%	0.592	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	19	-177.7	-37.9	-71.4	0	0	0	115.5	C14 C24	C14-F29 HydrophobicContact CB-CD1 3.97Å; C14-F29 HydrophobicContact CB-CE1 4.22Å; C24-F29 HydrophobicContact CB-CE2 4.17Å
30	S	86.7	Confident	81	Confident	40 Å²	40	75.2 Å²	75.2	28%	0.28	37%	0.374	S	S	.	.	S	Bend	trans	-126.4	168.8	-178.3	85.7	0	0	0	0	113.4	T27 S28 R32	T27-S30 WeakPolarHBondContact O-CB 3.47Å; T27-S30 PolarHBondContact O-N 2.92Å; T27-S30 PolarHBondContact O-OG 3.02Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 3.24Å; S30-R32 PolarHBondContact O-N 2.88Å; S30-R32 WeakPolarHBondContact OG-CB 3.15Å; S30-R32 PolarHBondContact OG-N 3.04Å; S30-R32 VanDerWaalsContact OG-N 3.08Å; S30-R32 PolarHBondContact OG-O 3.37Å
31	Y	85.4	Confident	83	Confident	164 Å²	164	73.9 Å²	73.9	64%	0.643	36%	0.364	S	S	*	.	S	Bend	trans	-68.7	-15.9	169.9	-61.5	-62.9	0	0	0	113.7	I49	Y31-I49 VanDerWaalsContact O-CG2 3.24Å; Y31-I49 WeakPolarHBondContact O-CG2 3.36Å
32	R	91.9	Very high	85.1	Confident	60 Å²	60	71.6 Å²	71.6	23%	0.226	35%	0.35	C	S	.	.			trans	-84.7	140.8	-173.5	-52.9	177.4	-168.7	-159.7	-3.6	109.1	T27 S30 I49 C51 D67	T27-R32 HydrophobicContact CG2-CB 4.03Å; S30-R32 PolarHBondContact O-N 2.88Å; S30-R32 WeakPolarHBondContact OG-CB 3.15Å; S30-R32 PolarHBondContact OG-N 3.04Å; S30-R32 VanDerWaalsContact OG-N 3.08Å; S30-R32 PolarHBondContact OG-O 3.37Å; R32-I49 CarbonylContact C-O 3.52Å; R32-I49 WeakPolarHBondContact CA-O 3.21Å; R32-C51 HydrophobicContact CG-CB 3.86Å; R32-C51 PolarHBondContact NE-O 3.01Å; R32-C51 PolarHBondContact NH1-O 2.77Å; R32-C51 PolarHBondContact NH2-O 2.92Å; R32-D67 IonicContact NH1-OD2 2.8Å; R32-D67 PolarHBondContact NH1-OD2 2.75Å
33	T	93.1	Very high	87	Confident	56 Å²	56	62.6 Å²	62.6	34%	0.344	32%	0.317	S	S	.	.	S	Bend	trans	-84.8	-36.6	165.8	61.5	0	0	0	0	111	T27 V48 I49	T27-T33 PolarHBondContact OG1-O 3.45Å; T33-V48 WeakPolarHBondContact OG1-CA 3.47Å; T33-I49 HydrophobicContact CG2-CB 4.13Å; T33-I49 HydrophobicContact CG2-CD1 4.36Å; T33-I49 HydrophobicContact CG2-CG1 4.15Å; T33-I49 PolarHBondContact N-O 2.84Å; T33-I49 PolarHBondContact OG1-N 2.8Å
34	H	93.8	Very high	88.7	Confident	32 Å²	32	54.7 Å²	54.7	15%	0.148	29%	0.294	C	S	.	.	S	Bend	trans	-138.8	159.5	179.8	-55.9	75.1	0	0	0	110.5	T27 E38 L39 H43 L50	T27-H34 VanDerWaalsContact CG2-C 3.46Å; H34-E38 WeakPolarHBondContact CA-OE2 3.46Å; H34-E38 IonicContact CD2-OE1 3.14Å; H34-L39 HydrophobicContact CB-CD1 4.48Å; H34-L39 HydrophobicContact CB-CD2 3.72Å; H34-L39 HydrophobicContact CB-CG 3.99Å; H34-H43 AromaticContact CD2-CD2 3.92Å; H34-H43 AromaticContact NE2-CD2 3.74Å; H34-L50 HydrophobicContact CB-CD2 4.31Å; H34-L50 VanDerWaalsContact O-CD2 3.27Å; H34-L50 WeakPolarHBondContact O-CD2 3.47Å
35	T	93.8	Very high	89.8	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.037	30%	0.301	C	S	.	.			trans	-84	160.2	168.1	70	0	0	0	0	111.3	S26 T27 G37 E38 Y69	S26-T35 VanDerWaalsContact OG-CG2 3.23Å; S26-T35 WeakPolarHBondContact OG-CG2 3.49Å; T27-T35 HydrophobicContact CG2-CG2 3.72Å; T35-G37 PolarHBondContact O-N 2.8Å; T35-E38 PolarHBondContact N-OE2 3.28Å; T35-E38 PolarHBondContact O-N 2.85Å; T35-E38 VanDerWaalsContact OG1-CB 3.26Å; T35-E38 WeakPolarHBondContact OG1-CB 3.23Å; T35-E38 PolarHBondContact OG1-N 3.04Å; T35-Y69 VanDerWaalsContact CB-CD2 3.49Å; T35-Y69 HydrophobicContact CG2-CD2 3.31Å; T35-Y69 HydrophobicContact CG2-CE2 3.55Å; T35-Y69 HydrophobicContact CG2-CG 3.84Å
36	C	93.2	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.5	177.5	-59.9	0	0	0	0	112.4	D67 G70 I72	C36-D67 HydrophobicContact CB-CB 4.48Å; C36-D67 WeakPolarHBondContact CB-OD1 3.28Å; C36-D67 PolarHBondContact N-OD2 2.81Å; C36-D67 VanDerWaalsContact SG-CG 3.55Å; C36-D67 PolarHBondContact SG-OD2 3.42Å; C36-G70 WeakPolarHBondContact CB-O 3.37Å; C36-I72 HydrophobicContact CB-CB 4.37Å; C36-I72 HydrophobicContact CB-CG2 3.96Å
37	G	90.4	Very high	91.6	Very high	13 Å²	13	61.4 Å²	61.4	13%	0.134	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.3	178	0	0	0	0	0	115.7	T35 K112	T35-G37 PolarHBondContact O-N 2.8Å; G37-K112 WeakPolarHBondContact O-CD 3.42Å; G37-K112 WeakPolarHBondContact O-CE 3.47Å; G37-K112 PolarHBondContact O-NZ 2.8Å
38	E	91.7	Very high	92.3	Very high	60 Å²	60	60.7 Å²	60.7	28%	0.28	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-36.1	-177.7	-179.6	175.5	-170.4	0	0	112.6	H34 T35	H34-E38 WeakPolarHBondContact CA-OE2 3.46Å; H34-E38 IonicContact CD2-OE1 3.14Å; T35-E38 PolarHBondContact N-OE2 3.28Å; T35-E38 PolarHBondContact O-N 2.85Å; T35-E38 VanDerWaalsContact OG1-CB 3.26Å; T35-E38 WeakPolarHBondContact OG1-CB 3.23Å; T35-E38 PolarHBondContact OG1-N 3.04Å
39	L	93	Very high	92.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.			trans	-67.2	140.6	-174	-63	174.5	0	0	0	112.4	H34 H43 V48 L50 I72 V99 I116 V118	H34-L39 HydrophobicContact CB-CD1 4.48Å; H34-L39 HydrophobicContact CB-CD2 3.72Å; H34-L39 HydrophobicContact CB-CG 3.99Å; L39-H43 HydrophobicContact CD2-CB 3.89Å; L39-V48 HydrophobicContact CD1-CG1 4.48Å; L39-V48 HydrophobicContact CD1-CG2 4.26Å; L39-V48 HydrophobicContact CD2-CG1 4.05Å; L39-L50 HydrophobicContact CD1-CD1 4.01Å; L39-L50 HydrophobicContact CD1-CD2 3.84Å; L39-L50 HydrophobicContact CD1-CG 4.42Å; L39-I72 HydrophobicContact CB-CD1 3.87Å; L39-I72 HydrophobicContact CD1-CD1 3.41Å; L39-I72 VanDerWaalsContact CD1-CD1 3.41Å; L39-I72 HydrophobicContact CG-CD1 4.24Å; L39-V99 HydrophobicContact CD1-CG2 4.2Å; L39-V99 HydrophobicContact CD2-CG2 4.21Å; L39-I116 HydrophobicContact CB-CD1 3.59Å; L39-V118 HydrophobicContact CD1-CG2 4.26Å
40	N	92.7	Very high	93.5	Very high	50 Å²	50	55.1 Å²	55.1	27%	0.267	28%	0.282	S	S	.	.			trans	-153.9	-176.4	178.9	62.9	44.5	0	0	0	109.7	T42 H43	N40-T42 PolarHBondContact O-N 2.85Å; N40-T42 VanDerWaalsContact O-N 3.1Å; N40-T42 WeakPolarHBondContact OD1-CB 3.37Å; N40-T42 PolarHBondContact OD1-N 3.17Å; N40-T42 PolarHBondContact OD1-OG1 2.89Å; N40-H43 PolarHBondContact N-ND1 2.75Å; N40-H43 WeakPolarHBondContact O-CB 3.42Å; N40-H43 PolarHBondContact O-N 2.87Å; N40-H43 PolarHBondContact O-ND1 3.15Å; N40-H43 PolarHBondContact OD1-ND1 2.84Å
41	E	91.5	Very high	94	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-54	-31.4	-176.9	-62.8	-179.5	170	0	0	114.6	H43 V44 Q115 I116	E41-H43 PolarHBondContact O-N 3.04Å; E41-V44 WeakPolarHBondContact O-CB 3.31Å; E41-V44 VanDerWaalsContact O-CG2 3.27Å; E41-V44 WeakPolarHBondContact O-CG2 3.35Å; E41-V44 PolarHBondContact O-N 2.89Å; E41-V44 VanDerWaalsContact O-N 3.11Å; E41-Q115 HydrophobicContact CG-CB 3.65Å; E41-Q115 HydrophobicContact CG-CG 4.31Å; E41-Q115 WeakPolarHBondContact OE1-CB 3.31Å; E41-Q115 WeakPolarHBondContact OE1-CG 3.35Å; E41-I116 HydrophobicContact CG-CG2 4.24Å
42	T	93.6	Very high	94.5	Very high	103 Å²	103	45.9 Å²	45.9	63%	0.632	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-68.4	-7.2	178.2	72	0	0	0	0	113.5	N40 K46	N40-T42 PolarHBondContact O-N 2.85Å; N40-T42 VanDerWaalsContact O-N 3.1Å; N40-T42 WeakPolarHBondContact OD1-CB 3.37Å; N40-T42 PolarHBondContact OD1-N 3.17Å; N40-T42 PolarHBondContact OD1-OG1 2.89Å; T42-K46 PolarHBondContact O-NZ 3.06Å
43	H	95.5	Very high	94.6	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.097	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-100.4	-3	177.6	-57.4	82.3	0	0	0	113.2	H34 L39 N40 E41 G45 K46 V99	H34-H43 AromaticContact CD2-CD2 3.92Å; H34-H43 AromaticContact NE2-CD2 3.74Å; L39-H43 HydrophobicContact CD2-CB 3.89Å; N40-H43 PolarHBondContact N-ND1 2.75Å; N40-H43 WeakPolarHBondContact O-CB 3.42Å; N40-H43 PolarHBondContact O-N 2.87Å; N40-H43 PolarHBondContact O-ND1 3.15Å; N40-H43 PolarHBondContact OD1-ND1 2.84Å; E41-H43 PolarHBondContact O-N 3.04Å; H43-G45 PolarHBondContact O-N 2.87Å; H43-K46 HydrophobicContact CB-CD 4.27Å; H43-K46 WeakPolarHBondContact O-CB 3.39Å; H43-K46 WeakPolarHBondContact O-CG 3.35Å; H43-K46 PolarHBondContact O-N 2.76Å; H43-V99 HydrophobicContact CB-CG1 4.28Å; H43-V99 HydrophobicContact CB-CG2 4.31Å; H43-V99 VanDerWaalsContact O-CB 3.31Å; H43-V99 WeakPolarHBondContact O-CB 3.48Å
44	V	95.9	Very high	94.6	Very high	66 Å²	66	43.7 Å²	43.7	40%	0.4	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.3	177.5	170.3	0	0	0	0	110.9	E41 K46 V99 I116	E41-V44 WeakPolarHBondContact O-CB 3.31Å; E41-V44 VanDerWaalsContact O-CG2 3.27Å; E41-V44 WeakPolarHBondContact O-CG2 3.35Å; E41-V44 PolarHBondContact O-N 2.89Å; E41-V44 VanDerWaalsContact O-N 3.11Å; V44-K46 PolarHBondContact O-N 3.03Å; V44-V99 HydrophobicContact CG2-CG1 4.31Å; V44-I116 HydrophobicContact CG2-CG2 3.92Å
45	G	96.2	Very high	94.5	Very high	58 Å²	58	45 Å²	45	60%	0.598	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	-11.7	-175.5	0	0	0	0	0	114.6	H43 V99	H43-G45 PolarHBondContact O-N 2.87Å; G45-V99 PolarHBondContact N-O 2.98Å
46	K	96.6	Very high	94.4	Very high	98 Å²	98	48 Å²	48	43%	0.426	25%	0.247	S	C	.	.			trans	-78.8	137.4	177.2	-61	-178.2	-175.1	166.4	0	110.9	T42 H43 V44 V99	T42-K46 PolarHBondContact O-NZ 3.06Å; H43-K46 HydrophobicContact CB-CD 4.27Å; H43-K46 WeakPolarHBondContact O-CB 3.39Å; H43-K46 WeakPolarHBondContact O-CG 3.35Å; H43-K46 PolarHBondContact O-N 2.76Å; V44-K46 PolarHBondContact O-N 3.03Å; K46-V99 PolarHBondContact O-N 3.37Å
47	R	97.5	Very high	94.4	Very high	169 Å²	169	50.7 Å²	50.7	64%	0.638	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.4	169.4	-160.6	175.8	-169	-166.3	0.9	109.9	G97 V98 E121	R47-G97 CarbonylContact C-O 3.57Å; R47-G97 WeakPolarHBondContact CA-O 3.27Å; R47-G97 WeakPolarHBondContact CG-O 3.31Å; R47-V98 HydrophobicContact CB-CG2 4.42Å; R47-V98 HydrophobicContact CG-CG2 4.24Å; R47-E121 IonicContact CZ-OE2 3.67Å; R47-E121 IonicContact NE-OE2 2.74Å; R47-E121 PolarHBondContact NE-OE2 3.48Å; R47-E121 IonicContact NH2-OE2 3.41Å; R47-E121 PolarHBondContact NH2-OE2 3.32Å
48	V	96.8	Very high	94.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.3	-173.1	-61	0	0	0	0	111.8	T33 L39 L50 T96 G97 V99 V118	T33-V48 WeakPolarHBondContact OG1-CA 3.47Å; L39-V48 HydrophobicContact CD1-CG1 4.48Å; L39-V48 HydrophobicContact CD1-CG2 4.26Å; L39-V48 HydrophobicContact CD2-CG1 4.05Å; V48-L50 HydrophobicContact CG2-CD1 4.24Å; V48-L50 HydrophobicContact CG2-CG 4.15Å; V48-T96 WeakPolarHBondContact O-CA 3.33Å; V48-G97 PolarHBondContact N-O 3Å; V48-G97 PolarHBondContact O-N 2.86Å; V48-V99 HydrophobicContact CG1-CG2 3.75Å; V48-V99 HydrophobicContact CG2-CG2 3.93Å; V48-V118 HydrophobicContact CG2-CG1 3.93Å; V48-V118 HydrophobicContact CG2-CG2 4.22Å
49	I	97.3	Very high	94	Very high	46 Å²	46	59.4 Å²	59.4	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.6	168.7	-54.5	174.6	0	0	0	107.1	Y31 R32 T33 K94 V95 T96	Y31-I49 VanDerWaalsContact O-CG2 3.24Å; Y31-I49 WeakPolarHBondContact O-CG2 3.36Å; R32-I49 CarbonylContact C-O 3.52Å; R32-I49 WeakPolarHBondContact CA-O 3.21Å; T33-I49 HydrophobicContact CG2-CB 4.13Å; T33-I49 HydrophobicContact CG2-CD1 4.36Å; T33-I49 HydrophobicContact CG2-CG1 4.15Å; T33-I49 PolarHBondContact N-O 2.84Å; T33-I49 PolarHBondContact OG1-N 2.8Å; I49-K94 HydrophobicContact CG2-CD 4.45Å; I49-K94 HydrophobicContact CG2-CG 3.97Å; I49-V95 CarbonylContact C-O 3.59Å; I49-V95 VanDerWaalsContact CA-O 3.31Å; I49-V95 WeakPolarHBondContact CA-O 3.31Å; I49-T96 HydrophobicContact CG1-CG2 4.35Å
50	L	97.1	Very high	93.5	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146	-179	-61.5	173.6	0	0	0	109.6	H34 L39 V48 L65 I72 L74 K94 V95 V118	H34-L50 HydrophobicContact CB-CD2 4.31Å; H34-L50 VanDerWaalsContact O-CD2 3.27Å; H34-L50 WeakPolarHBondContact O-CD2 3.47Å; L39-L50 HydrophobicContact CD1-CD1 4.01Å; L39-L50 HydrophobicContact CD1-CD2 3.84Å; L39-L50 HydrophobicContact CD1-CG 4.42Å; V48-L50 HydrophobicContact CG2-CD1 4.24Å; V48-L50 HydrophobicContact CG2-CG 4.15Å; L50-L65 HydrophobicContact CB-CD2 3.88Å; L50-I72 HydrophobicContact CD1-CD1 4.38Å; L50-I72 HydrophobicContact CD1-CG2 3.89Å; L50-L74 HydrophobicContact CD1-CD2 4.39Å; L50-K94 CarbonylContact O-C 3.51Å; L50-K94 WeakPolarHBondContact O-CA 3.37Å; L50-V95 PolarHBondContact N-O 3.42Å; L50-V95 PolarHBondContact O-N 2.97Å; L50-V118 HydrophobicContact CD1-CG2 3.97Å
51	C	96.8	Very high	93.4	Very high	8 Å²	8	69 Å²	69	5%	0.054	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.9	171.6	-56.4	0	0	0	0	109.9	R32 L93	R32-C51 HydrophobicContact CG-CB 3.86Å; R32-C51 PolarHBondContact NE-O 3.01Å; R32-C51 PolarHBondContact NH1-O 2.77Å; R32-C51 PolarHBondContact NH2-O 2.92Å; C51-L93 WeakPolarHBondContact CA-O 3.49Å
52	G	95.6	Very high	93.6	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-175	-176.7	0	0	0	0	0	113.3	R66 V92 L93	G52-R66 CarbonylContact C-O 3.58Å; G52-R66 VanDerWaalsContact CA-O 3.27Å; G52-R66 WeakPolarHBondContact CA-O 3.42Å; G52-V92 CarbonylContact O-C 3.6Å; G52-V92 WeakPolarHBondContact O-CA 3.36Å; G52-L93 PolarHBondContact N-O 3.11Å; G52-L93 PolarHBondContact O-N 2.83Å
53	W	94.3	Very high	93.7	Very high	71 Å²	71	60.8 Å²	60.8	27%	0.269	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.5	177.1	-64.5	-91.7	0	0	0	110.6	H55 R66 D90 S91 R157	W53-H55 PolarHBondContact O-N 3.36Å; W53-R66 PolarHBondContact N-O 3.42Å; W53-R66 PolarHBondContact O-N 2.81Å; W53-D90 VanDerWaalsContact CD1-O 3.3Å; W53-S91 CarbonylContact C-O 3.54Å; W53-S91 WeakPolarHBondContact CA-O 3.41Å; W53-R157 VanDerWaalsContact NE1-NH2 3.17Å
54	V	94.3	Very high	93.7	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	107	169.5	178.3	0	0	0	0	108.9	K57 V63 M84 V87 L89 D90 S91 L93	V54-K57 HydrophobicContact CG1-CD 4.35Å; V54-K57 HydrophobicContact CG1-CG 4Å; V54-V63 HydrophobicContact CG1-CG1 4.15Å; V54-M84 HydrophobicContact CG2-CE 4.13Å; V54-V87 HydrophobicContact CG2-CG1 4.12Å; V54-L89 HydrophobicContact CG1-CD2 3.8Å; V54-D90 PolarHBondContact O-N 3.17Å; V54-S91 PolarHBondContact N-O 3.09Å; V54-L93 HydrophobicContact CG2-CD1 3.45Å; V54-L93 VanDerWaalsContact CG2-CD1 3.45Å; V54-L93 HydrophobicContact CG2-CD2 4.3Å; V54-L93 HydrophobicContact CG2-CG 3.67Å
55	H	91.9	Very high	93.7	Very high	60 Å²	60	57.9 Å²	57.9	28%	0.278	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-40.9	-178.3	-173.2	62	0	0	0	112.5	W53 I64 R66	W53-H55 PolarHBondContact O-N 3.36Å; H55-I64 HydrophobicContact CB-CB 4.31Å; H55-I64 HydrophobicContact CB-CG2 4.1Å; H55-I64 WeakPolarHBondContact CB-O 3.45Å; H55-I64 PolarHBondContact N-O 3.05Å; H55-R66 HydrophobicContact CB-CB 3.8Å
56	H	91.8	Very high	93.6	Very high	69 Å²	69	57 Å²	57	32%	0.319	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	155.9	-178.7	-166	-78.5	0	0	0	110.7	R58 V63 I64	H56-R58 VanDerWaalsContact CE1-CG 3.42Å; H56-R58 WeakPolarHBondContact CE1-CG 3.49Å; H56-R58 WeakPolarHBondContact ND1-CG 3.48Å; H56-V63 WeakPolarHBondContact O-CA 3.45Å; H56-I64 HydrophobicContact CB-CB 4.04Å; H56-I64 HydrophobicContact CB-CG1 4.02Å; H56-I64 PolarHBondContact N-O 2.99Å; H56-I64 PolarHBondContact O-N 2.99Å
57	K	91.7	Very high	93.3	Very high	56 Å²	56	52.8 Å²	52.8	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139	173.4	-57.5	-173.2	179.9	-164.8	0	110.8	V54 F62 V63 M84 V87 L89	V54-K57 HydrophobicContact CG1-CD 4.35Å; V54-K57 HydrophobicContact CG1-CG 4Å; K57-F62 CarbonylContact C-O 3.42Å; K57-F62 WeakPolarHBondContact CA-O 3.47Å; K57-V63 HydrophobicContact CG-CG2 4.4Å; K57-M84 PolarHBondContact NZ-O 2.82Å; K57-V87 WeakPolarHBondContact CE-O 3.48Å; K57-V87 PolarHBondContact NZ-O 3.05Å; K57-L89 HydrophobicContact CG-CD2 4.11Å
58	R	91.3	Very high	92.9	Very high	109 Å²	109	47.5 Å²	47.5	41%	0.411	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.6	177.7	-63	-178.1	178.6	176.6	-1.5	111.1	H56 N60 R61 F62 R108	H56-R58 VanDerWaalsContact CE1-CG 3.42Å; H56-R58 WeakPolarHBondContact CE1-CG 3.49Å; H56-R58 WeakPolarHBondContact ND1-CG 3.48Å; R58-N60 PolarHBondContact O-N 3.12Å; R58-R61 PolarHBondContact O-N 3.19Å; R58-F62 HydrophobicContact CB-CB 4.28Å; R58-F62 PolarHBondContact N-O 3.26Å; R58-F62 PolarHBondContact O-N 3.21Å; R58-R108 VanDerWaalsContact NH1-NH2 3.16Å
59	L	83.3	Confident	92.5	Very high	147 Å²	147	53.1 Å²	53.1	77%	0.77	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	23.9	171.7	-59.3	174	0	0	0	115.1	R61	L59-R61 WeakPolarHBondContact O-CG 3.41Å; L59-R61 PolarHBondContact O-N 3.39Å
60	N	82.4	Confident	92.2	Very high	104 Å²	104	52.1 Å²	52.1	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	11	-170.4	-60.3	-35.8	0	0	0	115.5	R58 F81	R58-N60 PolarHBondContact O-N 3.12Å; N60-F81 VanDerWaalsContact O-CD1 3.28Å; N60-F81 WeakPolarHBondContact O-CD1 3.41Å
61	R	91.1	Very high	92	Very high	146 Å²	146	54.3 Å²	54.3	55%	0.551	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-31.2	-175.7	-68.6	-176.5	-175.7	-173.3	3	113.2	R58 L59 L76 F81	R58-R61 PolarHBondContact O-N 3.19Å; L59-R61 WeakPolarHBondContact O-CG 3.41Å; L59-R61 PolarHBondContact O-N 3.39Å; R61-L76 VanDerWaalsContact O-CB 3.31Å; R61-L76 WeakPolarHBondContact O-CB 3.49Å; R61-L76 WeakPolarHBondContact O-CG 3.29Å; R61-L76 PolarHBondContact O-N 2.86Å; R61-F81 HydrophobicContact CB-CZ 4.45Å; R61-F81 HydrophobicContact CG-CE1 4.18Å; R61-F81 HydrophobicContact CG-CE2 4.2Å; R61-F81 HydrophobicContact CG-CZ 3.69Å
62	F	94.4	Very high	92	Very high	45 Å²	45	54 Å²	54	20%	0.197	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.2	-175.8	-57.9	-81.2	0	0	0	111.2	K57 R58 Q73 L74 L75	K57-F62 CarbonylContact C-O 3.42Å; K57-F62 WeakPolarHBondContact CA-O 3.47Å; R58-F62 HydrophobicContact CB-CB 4.28Å; R58-F62 PolarHBondContact N-O 3.26Å; R58-F62 PolarHBondContact O-N 3.21Å; F62-Q73 HydrophobicContact CD1-CG 4.07Å; F62-L74 WeakPolarHBondContact CA-O 3.43Å; F62-L75 HydrophobicContact CD1-CD1 4Å; F62-L75 HydrophobicContact CE1-CD1 3.52Å; F62-L75 HydrophobicContact CZ-CD1 4.04Å
63	V	96.1	Very high	92	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.7	173.3	175.3	0	0	0	0	108.2	V54 H56 K57 L74 L76 M84	V54-V63 HydrophobicContact CG1-CG1 4.15Å; H56-V63 WeakPolarHBondContact O-CA 3.45Å; K57-V63 HydrophobicContact CG-CG2 4.4Å; V63-L74 HydrophobicContact CB-CB 4.24Å; V63-L74 HydrophobicContact CB-CD1 4.27Å; V63-L74 HydrophobicContact CG1-CD1 4.21Å; V63-L74 PolarHBondContact N-O 3.01Å; V63-L74 WeakPolarHBondContact O-CB 3.33Å; V63-L74 PolarHBondContact O-N 3.3Å; V63-L76 HydrophobicContact CG2-CD1 3.75Å; V63-L76 HydrophobicContact CG2-CD2 4.07Å; V63-L76 HydrophobicContact CG2-CG 4.06Å; V63-M84 HydrophobicContact CG1-CE 4.14Å; V63-M84 HydrophobicContact CG2-CE 3.66Å
64	I	95.1	Very high	92.1	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.138	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.6	167.4	-54.4	-56.4	0	0	0	107.3	H55 H56 V71 I72 Q73	H55-I64 HydrophobicContact CB-CB 4.31Å; H55-I64 HydrophobicContact CB-CG2 4.1Å; H55-I64 WeakPolarHBondContact CB-O 3.45Å; H55-I64 PolarHBondContact N-O 3.05Å; H56-I64 HydrophobicContact CB-CB 4.04Å; H56-I64 HydrophobicContact CB-CG1 4.02Å; H56-I64 PolarHBondContact N-O 2.99Å; H56-I64 PolarHBondContact O-N 2.99Å; I64-V71 HydrophobicContact CG2-CB 3.95Å; I64-V71 HydrophobicContact CG2-CG1 4.36Å; I64-I72 WeakPolarHBondContact CA-O 3.39Å; I64-Q73 HydrophobicContact CD1-CB 3.78Å; I64-Q73 HydrophobicContact CD1-CG 4.01Å
65	L	96.1	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.6	173	-167.7	71.9	0	0	0	108.7	L50 V71 I72 L74 L93 V95	L50-L65 HydrophobicContact CB-CD2 3.88Å; L65-V71 CarbonylContact O-C 3.48Å; L65-V71 VanDerWaalsContact O-CA 3.31Å; L65-V71 WeakPolarHBondContact O-CA 3.36Å; L65-I72 HydrophobicContact CB-CG2 4.17Å; L65-I72 PolarHBondContact N-O 3.1Å; L65-I72 PolarHBondContact O-N 3.39Å; L65-L74 HydrophobicContact CB-CD1 3.93Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L65-L74 HydrophobicContact CB-CG 4.13Å; L65-L74 HydrophobicContact CD2-CD1 4.35Å; L65-L93 HydrophobicContact CD1-CB 4.14Å; L65-L93 HydrophobicContact CD1-CD1 4.35Å; L65-V95 HydrophobicContact CD2-CG2 4.18Å
66	R	93.3	Very high	92.5	Very high	40 Å²	40	50.9 Å²	50.9	15%	0.151	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.2	177.8	177.8	-172	66	179.9	-6.5	110	G52 W53 H55 G70 V71 D90	G52-R66 CarbonylContact C-O 3.58Å; G52-R66 VanDerWaalsContact CA-O 3.27Å; G52-R66 WeakPolarHBondContact CA-O 3.42Å; W53-R66 PolarHBondContact N-O 3.42Å; W53-R66 PolarHBondContact O-N 2.81Å; H55-R66 HydrophobicContact CB-CB 3.8Å; R66-G70 WeakPolarHBondContact CA-O 3.45Å; R66-V71 HydrophobicContact CB-CG1 3.93Å; R66-V71 HydrophobicContact CG-CG1 3.94Å; R66-D90 IonicContact NH2-OD1 2.85Å; R66-D90 PolarHBondContact NH2-OD1 3.11Å
67	D	92.1	Very high	92.6	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	24%	0.244	C	C	.	.			trans	-123.3	-167.9	157.6	67.1	17.9	0	0	0	110.3	R32 C36 Y69 G70	R32-D67 IonicContact NH1-OD2 2.8Å; R32-D67 PolarHBondContact NH1-OD2 2.75Å; C36-D67 HydrophobicContact CB-CB 4.48Å; C36-D67 WeakPolarHBondContact CB-OD1 3.28Å; C36-D67 PolarHBondContact N-OD2 2.81Å; C36-D67 VanDerWaalsContact SG-CG 3.55Å; C36-D67 PolarHBondContact SG-OD2 3.42Å; D67-Y69 PolarHBondContact O-N 2.87Å; D67-Y69 WeakPolarHBondContact OD1-CA 3.42Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.28Å; D67-Y69 PolarHBondContact OD1-N 2.68Å; D67-G70 PolarHBondContact N-O 3.3Å; D67-G70 PolarHBondContact OD1-N 3.18Å; D67-G70 VanDerWaalsContact OD1-N 3.08Å
68	V	88.3	Confident	92.6	Very high	59 Å²	59	56.6 Å²	56.6	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	-72.5	-11.9	-178.1	89.3	0	0	0	0	113.4	Q162	V68-Q162 HydrophobicContact CG2-CG 4.36Å
69	Y	89.3	Confident	92.8	Very high	118 Å²	118	57.5 Å²	57.5	46%	0.463	28%	0.278	S	S	.	.	S	Bend	trans	-101.7	-19.8	-175.5	-54.3	-77.6	0	0	0	112.3	S26 T35 D67	S26-Y69 WeakPolarHBondContact CB-OH 3.4Å; T35-Y69 VanDerWaalsContact CB-CD2 3.49Å; T35-Y69 HydrophobicContact CG2-CD2 3.31Å; T35-Y69 HydrophobicContact CG2-CE2 3.55Å; T35-Y69 HydrophobicContact CG2-CG 3.84Å; D67-Y69 PolarHBondContact O-N 2.87Å; D67-Y69 WeakPolarHBondContact OD1-CA 3.42Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.28Å; D67-Y69 PolarHBondContact OD1-N 2.68Å
70	G	90.3	Very high	93.4	Very high	24 Å²	24	50.9 Å²	50.9	25%	0.247	24%	0.243	C	C	.	.			trans	164.9	-161.4	175.6	0	0	0	0	0	113.9	C36 R66 D67	C36-G70 WeakPolarHBondContact CB-O 3.37Å; R66-G70 WeakPolarHBondContact CA-O 3.45Å; D67-G70 PolarHBondContact N-O 3.3Å; D67-G70 PolarHBondContact OD1-N 3.18Å; D67-G70 VanDerWaalsContact OD1-N 3.08Å
71	V	93.1	Very high	94	Very high	47 Å²	47	48.7 Å²	48.7	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.6	-179.7	-62.4	0	0	0	0	110.5	I64 L65 R66 S113	I64-V71 HydrophobicContact CG2-CB 3.95Å; I64-V71 HydrophobicContact CG2-CG1 4.36Å; L65-V71 CarbonylContact O-C 3.48Å; L65-V71 VanDerWaalsContact O-CA 3.31Å; L65-V71 WeakPolarHBondContact O-CA 3.36Å; R66-V71 HydrophobicContact CB-CG1 3.93Å; R66-V71 HydrophobicContact CG-CG1 3.94Å; V71-S113 WeakPolarHBondContact O-CB 3.38Å; V71-S113 PolarHBondContact O-OG 3.26Å
72	I	95.6	Very high	94.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.7	173.1	-166.1	160	0	0	0	111	C36 L39 L50 I64 L65 L74 I116 V118	C36-I72 HydrophobicContact CB-CB 4.37Å; C36-I72 HydrophobicContact CB-CG2 3.96Å; L39-I72 HydrophobicContact CB-CD1 3.87Å; L39-I72 HydrophobicContact CD1-CD1 3.41Å; L39-I72 VanDerWaalsContact CD1-CD1 3.41Å; L39-I72 HydrophobicContact CG-CD1 4.24Å; L50-I72 HydrophobicContact CD1-CD1 4.38Å; L50-I72 HydrophobicContact CD1-CG2 3.89Å; I64-I72 WeakPolarHBondContact CA-O 3.39Å; L65-I72 HydrophobicContact CB-CG2 4.17Å; L65-I72 PolarHBondContact N-O 3.1Å; L65-I72 PolarHBondContact O-N 3.39Å; I72-L74 HydrophobicContact CG2-CD2 4.41Å; I72-I116 HydrophobicContact CD1-CD1 4.19Å; I72-V118 HydrophobicContact CD1-CG2 3.62Å; I72-V118 HydrophobicContact CG1-CG2 4.21Å
73	Q	96	Very high	94	Very high	15 Å²	15	46.1 Å²	46.1	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.8	175.2	-178.6	162.6	-73.3	0	0	110.3	F62 I64 E117 V118	F62-Q73 HydrophobicContact CD1-CG 4.07Å; I64-Q73 HydrophobicContact CD1-CB 3.78Å; I64-Q73 HydrophobicContact CD1-CG 4.01Å; Q73-E117 HydrophobicContact CB-CB 4.13Å; Q73-E117 HydrophobicContact CG-CB 4.24Å; Q73-E117 PolarHBondContact NE2-OE2 3.38Å; Q73-E117 CarbonylContact O-C 3.56Å; Q73-E117 WeakPolarHBondContact O-CA 3.39Å; Q73-V118 PolarHBondContact O-N 3.2Å
74	L	97.4	Very high	93.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.5	170.5	-50	177.4	0	0	0	108.5	L50 F62 V63 L65 I72 V95 V118	L50-L74 HydrophobicContact CD1-CD2 4.39Å; F62-L74 WeakPolarHBondContact CA-O 3.43Å; V63-L74 HydrophobicContact CB-CB 4.24Å; V63-L74 HydrophobicContact CB-CD1 4.27Å; V63-L74 HydrophobicContact CG1-CD1 4.21Å; V63-L74 PolarHBondContact N-O 3.01Å; V63-L74 WeakPolarHBondContact O-CB 3.33Å; V63-L74 PolarHBondContact O-N 3.3Å; L65-L74 HydrophobicContact CB-CD1 3.93Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L65-L74 HydrophobicContact CB-CG 4.13Å; L65-L74 HydrophobicContact CD2-CD1 4.35Å; I72-L74 HydrophobicContact CG2-CD2 4.41Å; L74-V95 HydrophobicContact CD1-CB 4.4Å; L74-V95 HydrophobicContact CD1-CG1 4.07Å; L74-V95 HydrophobicContact CD1-CG2 3.78Å; L74-V95 HydrophobicContact CD2-CG1 4.15Å; L74-V118 CarbonylContact C-O 3.59Å; L74-V118 VanDerWaalsContact CA-O 3.28Å; L74-V118 WeakPolarHBondContact CA-O 3.27Å; L74-V118 HydrophobicContact CD2-CB 3.88Å; L74-V118 HydrophobicContact CD2-CG1 4.4Å
75	L	96.7	Very high	93.8	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.8	164.6	177.5	66	0	0	0	108	F62 V118 A120	F62-L75 HydrophobicContact CD1-CD1 4Å; F62-L75 HydrophobicContact CE1-CD1 3.52Å; F62-L75 HydrophobicContact CZ-CD1 4.04Å; L75-V118 PolarHBondContact N-O 2.96Å; L75-A120 PolarHBondContact O-N 2.8Å
76	L	96.8	Very high	93.6	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.9	-178.6	-60.2	-179.4	0	0	0	111.1	R61 V63 L80 F81 M84 A120 I123	R61-L76 VanDerWaalsContact O-CB 3.31Å; R61-L76 WeakPolarHBondContact O-CB 3.49Å; R61-L76 WeakPolarHBondContact O-CG 3.29Å; R61-L76 PolarHBondContact O-N 2.86Å; V63-L76 HydrophobicContact CG2-CD1 3.75Å; V63-L76 HydrophobicContact CG2-CD2 4.07Å; V63-L76 HydrophobicContact CG2-CG 4.06Å; L76-L80 HydrophobicContact CB-CB 4.46Å; L76-F81 HydrophobicContact CB-CD1 3.82Å; L76-F81 HydrophobicContact CB-CE1 3.66Å; L76-F81 HydrophobicContact CD1-CD1 4.31Å; L76-F81 VanDerWaalsContact O-CE1 3.28Å; L76-F81 WeakPolarHBondContact O-CE1 3.5Å; L76-M84 HydrophobicContact CD1-CB 3.64Å; L76-M84 HydrophobicContact CD1-CG 3.6Å; L76-M84 HydrophobicContact CD2-CG 4.01Å; L76-M84 HydrophobicContact CG-CG 4.47Å; L76-A120 HydrophobicContact CD2-CB 4.19Å; L76-I123 HydrophobicContact CD2-CD1 3.43Å; L76-I123 VanDerWaalsContact CD2-CD1 3.43Å
77	N	93.7	Very high	93.5	Very high	64 Å²	64	55.4 Å²	55.4	34%	0.342	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-70.9	152.6	162.1	-78	-36.7	0	0	0	111.3	H79 L80 F81 A120	N77-H79 VanDerWaalsContact C-N 3.27Å; N77-H79 WeakPolarHBondContact CB-CE1 3.35Å; N77-H79 WeakPolarHBondContact CB-ND1 3.21Å; N77-H79 PolarHBondContact O-N 3.11Å; N77-H79 VanDerWaalsContact O-N 3.17Å; N77-L80 HydrophobicContact CB-CD1 4.35Å; N77-L80 WeakPolarHBondContact O-CB 3.02Å; N77-L80 PolarHBondContact O-N 3.24Å; N77-F81 WeakPolarHBondContact O-CD1 3.31Å; N77-F81 WeakPolarHBondContact O-CE1 3.35Å; N77-A120 PolarHBondContact ND2-O 3.43Å
78	K	92.8	Very high	93.5	Very high	181 Å²	181	56.1 Å²	56.1	79%	0.787	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.8	-173.7	-69.8	-177.6	-179.1	176.5	0	113.6	L80 F81	K78-L80 PolarHBondContact O-N 3.49Å; K78-F81 HydrophobicContact CB-CE2 4.33Å; K78-F81 HydrophobicContact CG-CE2 4.01Å; K78-F81 HydrophobicContact CG-CZ 4.16Å; K78-F81 WeakPolarHBondContact O-CB 3.44Å; K78-F81 WeakPolarHBondContact O-CG 3.39Å; K78-F81 PolarHBondContact O-N 2.93Å
79	H	94.8	Very high	93.6	Very high	127 Å²	127	57.3 Å²	57.3	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.3	178.8	64.4	-74.8	0	0	0	113.1	N77 E121	N77-H79 VanDerWaalsContact C-N 3.27Å; N77-H79 WeakPolarHBondContact CB-CE1 3.35Å; N77-H79 WeakPolarHBondContact CB-ND1 3.21Å; N77-H79 PolarHBondContact O-N 3.11Å; N77-H79 VanDerWaalsContact O-N 3.17Å; H79-E121 PolarHBondContact NE2-O 3.37Å
80	L	95.6	Very high	93.8	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-84.5	-11.9	178.3	-59.2	173.9	0	0	0	113.1	L76 N77 K78 A82 L83 M84 A120 I123	L76-L80 HydrophobicContact CB-CB 4.46Å; N77-L80 HydrophobicContact CB-CD1 4.35Å; N77-L80 WeakPolarHBondContact O-CB 3.02Å; N77-L80 PolarHBondContact O-N 3.24Å; K78-L80 PolarHBondContact O-N 3.49Å; L80-A82 PolarHBondContact O-N 3.3Å; L80-L83 PolarHBondContact O-N 2.87Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 PolarHBondContact O-N 2.85Å; L80-A120 HydrophobicContact CD1-CB 3.94Å; L80-A120 VanDerWaalsContact CD1-O 3.23Å; L80-A120 WeakPolarHBondContact CD1-O 3.37Å; L80-I123 HydrophobicContact CD1-CD1 3.99Å; L80-I123 HydrophobicContact CD1-CG1 3.98Å; L80-I123 HydrophobicContact CD2-CB 4.33Å; L80-I123 HydrophobicContact CD2-CG1 4.46Å
81	F	94.6	Very high	94	Very high	58 Å²	58	51.8 Å²	51.8	25%	0.254	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-43.1	-176.2	-67.2	-3.7	0	0	0	112.2	N60 R61 L76 N77 K78 M84 K85	N60-F81 VanDerWaalsContact O-CD1 3.28Å; N60-F81 WeakPolarHBondContact O-CD1 3.41Å; R61-F81 HydrophobicContact CB-CZ 4.45Å; R61-F81 HydrophobicContact CG-CE1 4.18Å; R61-F81 HydrophobicContact CG-CE2 4.2Å; R61-F81 HydrophobicContact CG-CZ 3.69Å; L76-F81 HydrophobicContact CB-CD1 3.82Å; L76-F81 HydrophobicContact CB-CE1 3.66Å; L76-F81 HydrophobicContact CD1-CD1 4.31Å; L76-F81 VanDerWaalsContact O-CE1 3.28Å; L76-F81 WeakPolarHBondContact O-CE1 3.5Å; N77-F81 WeakPolarHBondContact O-CD1 3.31Å; N77-F81 WeakPolarHBondContact O-CE1 3.35Å; K78-F81 HydrophobicContact CB-CE2 4.33Å; K78-F81 HydrophobicContact CG-CE2 4.01Å; K78-F81 HydrophobicContact CG-CZ 4.16Å; K78-F81 WeakPolarHBondContact O-CB 3.44Å; K78-F81 WeakPolarHBondContact O-CG 3.39Å; K78-F81 PolarHBondContact O-N 2.93Å; F81-M84 PolarHBondContact O-N 3.27Å; F81-K85 WeakPolarHBondContact O-CB 3.39Å; F81-K85 PolarHBondContact O-N 2.98Å
82	A	93.3	Very high	94.1	Very high	75 Å²	75	51.1 Å²	51.1	62%	0.62	27%	0.265	S	S	*	.	H	α-helix	trans	-63.7	-47	179.6	0	0	0	0	0	111.4	L80 K85	L80-A82 PolarHBondContact O-N 3.3Å; A82-K85 PolarHBondContact O-N 2.83Å
83	L	94	Very high	94.2	Very high	62 Å²	62	51 Å²	51	33%	0.325	26%	0.264	S	S	.	.	H	α-helix	trans	-55.9	-54.9	174.2	174.5	64.4	0	0	0	110.3	L80 K85 T86 V87 I123 V125	L80-L83 PolarHBondContact O-N 2.87Å; L83-K85 PolarHBondContact O-N 3.03Å; L83-T86 PolarHBondContact O-N 3.45Å; L83-T86 PolarHBondContact O-OG1 3.37Å; L83-V87 HydrophobicContact CD1-CG2 4.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-I123 HydrophobicContact CD2-CB 4.23Å; L83-I123 HydrophobicContact CD2-CG2 4.23Å; L83-V125 HydrophobicContact CD1-CG2 4.03Å; L83-V125 HydrophobicContact CD2-CG2 4.5Å; L83-V125 HydrophobicContact CG-CG2 4.47Å
84	M	94.2	Very high	94.3	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-20.1	-175.1	-72.5	-50.8	-63.3	0	0	113.7	V54 K57 V63 L76 L80 F81 T86 V87 L93 I123	V54-M84 HydrophobicContact CG2-CE 4.13Å; K57-M84 PolarHBondContact NZ-O 2.82Å; V63-M84 HydrophobicContact CG1-CE 4.14Å; V63-M84 HydrophobicContact CG2-CE 3.66Å; L76-M84 HydrophobicContact CD1-CB 3.64Å; L76-M84 HydrophobicContact CD1-CG 3.6Å; L76-M84 HydrophobicContact CD2-CG 4.01Å; L76-M84 HydrophobicContact CG-CG 4.47Å; L80-M84 WeakPolarHBondContact O-CB 3.24Å; L80-M84 PolarHBondContact O-N 2.85Å; F81-M84 PolarHBondContact O-N 3.27Å; M84-T86 VanDerWaalsContact C-N 3.28Å; M84-T86 PolarHBondContact O-N 2.96Å; M84-V87 HydrophobicContact CE-CB 4.34Å; M84-V87 HydrophobicContact CE-CG1 4.28Å; M84-V87 HydrophobicContact SD-CB 4.4Å; M84-V87 HydrophobicContact SD-CG2 4.24Å; M84-L93 HydrophobicContact CE-CD1 3.7Å; M84-L93 HydrophobicContact SD-CD1 3.99Å; M84-I123 HydrophobicContact CG-CD1 4.07Å; M84-I123 HydrophobicContact SD-CD1 4.04Å; M84-I123 HydrophobicContact SD-CG2 4.19Å
85	K	91.8	Very high	94.3	Very high	162 Å²	162	52.8 Å²	52.8	70%	0.704	27%	0.272	S	S	*	.	H	α-helix	trans	-66.1	-29.9	170.3	-167.2	177.2	-179.8	-176.7	0	112.5	F81 A82 L83	F81-K85 WeakPolarHBondContact O-CB 3.39Å; F81-K85 PolarHBondContact O-N 2.98Å; A82-K85 PolarHBondContact O-N 2.83Å; L83-K85 PolarHBondContact O-N 3.03Å
86	T	91.3	Very high	94.4	Very high	85 Å²	85	51.7 Å²	51.7	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-91	-11.8	-176.6	70.1	0	0	0	0	114.8	L83 M84 P88 K128	L83-T86 PolarHBondContact O-N 3.45Å; L83-T86 PolarHBondContact O-OG1 3.37Å; M84-T86 VanDerWaalsContact C-N 3.28Å; M84-T86 PolarHBondContact O-N 2.96Å; T86-P88 WeakPolarHBondContact O-CD 3.46Å; T86-K128 WeakPolarHBondContact O-CE 3.43Å; T86-K128 PolarHBondContact O-NZ 3.46Å; T86-K128 VanDerWaalsContact O-NZ 3.15Å
87	V	92.9	Very high	94.4	Very high	10 Å²	10	51.3 Å²	51.3	6%	0.061	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-85.9	126.7	-177	173.1	0	0	0	0	109.3	V54 K57 L83 M84 S91 L93 V125	V54-V87 HydrophobicContact CG2-CG1 4.12Å; K57-V87 WeakPolarHBondContact CE-O 3.48Å; K57-V87 PolarHBondContact NZ-O 3.05Å; L83-V87 HydrophobicContact CD1-CG2 4.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; M84-V87 HydrophobicContact CE-CB 4.34Å; M84-V87 HydrophobicContact CE-CG1 4.28Å; M84-V87 HydrophobicContact SD-CB 4.4Å; M84-V87 HydrophobicContact SD-CG2 4.24Å; V87-S91 VanDerWaalsContact CG1-CB 3.43Å; V87-L93 HydrophobicContact CG1-CD2 4.29Å; V87-V125 HydrophobicContact CG2-CG2 3.67Å
88	P	91.7	Very high	94.6	Very high	24 Å²	24	50.2 Å²	50.2	16%	0.156	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-72.6	166.7	173	-25.5	37.8	0	0	0	112.8	T86 S91 K128 C129	T86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-S91 WeakPolarHBondContact CD-OG 3.39Å; P88-S91 WeakPolarHBondContact O-CB 3.47Å; P88-S91 PolarHBondContact O-OG 3.32Å; P88-K128 HydrophobicContact CG-CG 4.4Å; P88-C129 HydrophobicContact CB-CB 4.49Å; P88-C129 WeakPolarHBondContact CG-O 3.47Å
89	L	91	Very high	94.8	Very high	84 Å²	84	41.6 Å²	41.6	44%	0.44	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	159.4	164.2	-61.9	-178.1	0	0	0	110.2	V54 K57 S91 C129	V54-L89 HydrophobicContact CG1-CD2 3.8Å; K57-L89 HydrophobicContact CG-CD2 4.11Å; L89-S91 PolarHBondContact O-N 2.98Å; L89-C129 WeakPolarHBondContact O-CB 3.47Å
90	D	91.7	Very high	94.9	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.134	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	11.3	-175.6	-69.2	-78.6	0	0	0	115.2	W53 V54 R66 C129 I133 R157	W53-D90 VanDerWaalsContact CD1-O 3.3Å; V54-D90 PolarHBondContact O-N 3.17Å; R66-D90 IonicContact NH2-OD1 2.85Å; R66-D90 PolarHBondContact NH2-OD1 3.11Å; D90-C129 HydrophobicContact CB-CB 4.3Å; D90-I133 HydrophobicContact CB-CG2 4.05Å; D90-I133 WeakPolarHBondContact OD2-CD1 3.32Å; D90-R157 IonicContact OD1-NH1 2.74Å; D90-R157 PolarHBondContact OD1-NH1 3.29Å
91	S	94.6	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.			trans	-71.7	146.3	167.3	-59	0	0	0	0	110.2	W53 V54 V87 P88 L89 N127 C129	W53-S91 CarbonylContact C-O 3.54Å; W53-S91 WeakPolarHBondContact CA-O 3.41Å; V54-S91 PolarHBondContact N-O 3.09Å; V87-S91 VanDerWaalsContact CG1-CB 3.43Å; P88-S91 WeakPolarHBondContact CD-OG 3.39Å; P88-S91 WeakPolarHBondContact O-CB 3.47Å; P88-S91 PolarHBondContact O-OG 3.32Å; L89-S91 PolarHBondContact O-N 2.98Å; S91-N127 CarbonylContact C-O 3.52Å; S91-N127 WeakPolarHBondContact CA-O 3.21Å; S91-C129 PolarHBondContact OG-N 2.95Å
92	V	96	Very high	94.8	Very high	33 Å²	33	37.2 Å²	37.2	20%	0.2	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.9	-179.6	-171.5	0	0	0	0	109.9	G52 L126 N127	G52-V92 CarbonylContact O-C 3.6Å; G52-V92 WeakPolarHBondContact O-CA 3.36Å; V92-L126 HydrophobicContact CB-CB 4.32Å; V92-L126 HydrophobicContact CG1-CB 4.09Å; V92-L126 HydrophobicContact CG1-CD1 4.15Å; V92-L126 PolarHBondContact O-N 2.98Å; V92-N127 HydrophobicContact CB-CB 4.14Å; V92-N127 HydrophobicContact CG2-CB 4.18Å; V92-N127 PolarHBondContact N-O 3.15Å; V92-N127 PolarHBondContact O-N 3.08Å
93	L	97.2	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.8	177.7	-56	-175.7	0	0	0	111	C51 G52 V54 L65 M84 V87 V95 I123 Q124 V125	C51-L93 WeakPolarHBondContact CA-O 3.49Å; G52-L93 PolarHBondContact N-O 3.11Å; G52-L93 PolarHBondContact O-N 2.83Å; V54-L93 HydrophobicContact CG2-CD1 3.45Å; V54-L93 VanDerWaalsContact CG2-CD1 3.45Å; V54-L93 HydrophobicContact CG2-CD2 4.3Å; V54-L93 HydrophobicContact CG2-CG 3.67Å; L65-L93 HydrophobicContact CD1-CB 4.14Å; L65-L93 HydrophobicContact CD1-CD1 4.35Å; M84-L93 HydrophobicContact CE-CD1 3.7Å; M84-L93 HydrophobicContact SD-CD1 3.99Å; V87-L93 HydrophobicContact CG1-CD2 4.29Å; L93-V95 HydrophobicContact CB-CG2 3.92Å; L93-V95 HydrophobicContact CD1-CG2 4.44Å; L93-I123 HydrophobicContact CB-CG2 4.38Å; L93-I123 HydrophobicContact CD1-CG2 4.04Å; L93-I123 HydrophobicContact CD2-CG2 3.93Å; L93-I123 HydrophobicContact CG-CG2 4.35Å; L93-Q124 WeakPolarHBondContact CA-O 3.19Å; L93-V125 HydrophobicContact CD2-CB 4.29Å; L93-V125 HydrophobicContact CD2-CG1 4.37Å; L93-V125 HydrophobicContact CD2-CG2 3.85Å
94	K	97.9	Very high	94.4	Very high	50 Å²	50	40.1 Å²	40.1	22%	0.217	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	154.7	173.6	-177.8	177.7	-169	0	107.4	I49 L50 I123 Q124 L126	I49-K94 HydrophobicContact CG2-CD 4.45Å; I49-K94 HydrophobicContact CG2-CG 3.97Å; L50-K94 CarbonylContact O-C 3.51Å; L50-K94 WeakPolarHBondContact O-CA 3.37Å; K94-I123 WeakPolarHBondContact O-CA 3.45Å; K94-Q124 HydrophobicContact CB-CB 4.29Å; K94-Q124 PolarHBondContact N-O 3.17Å; K94-Q124 PolarHBondContact O-N 2.89Å; K94-L126 HydrophobicContact CB-CD1 3.89Å; K94-L126 HydrophobicContact CB-CD2 4.08Å; K94-L126 HydrophobicContact CB-CG 3.91Å
95	V	97.7	Very high	94.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.3	-172.9	-177.5	0	0	0	0	108.5	I49 L50 L65 L74 L93 A120 D122 I123	I49-V95 CarbonylContact C-O 3.59Å; I49-V95 VanDerWaalsContact CA-O 3.31Å; I49-V95 WeakPolarHBondContact CA-O 3.31Å; L50-V95 PolarHBondContact N-O 3.42Å; L50-V95 PolarHBondContact O-N 2.97Å; L65-V95 HydrophobicContact CD2-CG2 4.18Å; L74-V95 HydrophobicContact CD1-CB 4.4Å; L74-V95 HydrophobicContact CD1-CG1 4.07Å; L74-V95 HydrophobicContact CD1-CG2 3.78Å; L74-V95 HydrophobicContact CD2-CG1 4.15Å; L93-V95 HydrophobicContact CB-CG2 3.92Å; L93-V95 HydrophobicContact CD1-CG2 4.44Å; V95-A120 HydrophobicContact CG1-CB 3.89Å; V95-D122 WeakPolarHBondContact CA-O 3.27Å; V95-I123 HydrophobicContact CG1-CG1 4.15Å; V95-I123 HydrophobicContact CG2-CG1 4.12Å
96	T	98	Very high	93.9	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	169	-52.3	0	0	0	0	108	V48 I49 E121 D122	V48-T96 WeakPolarHBondContact O-CA 3.33Å; I49-T96 HydrophobicContact CG1-CG2 4.35Å; T96-E121 PolarHBondContact O-N 3.22Å; T96-D122 PolarHBondContact N-O 2.93Å; T96-D122 PolarHBondContact O-N 3.1Å; T96-D122 VanDerWaalsContact O-N 3.12Å
97	G	97.4	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-178.2	-178	0	0	0	0	0	113.8	R47 V48 H119	R47-G97 CarbonylContact C-O 3.57Å; R47-G97 WeakPolarHBondContact CA-O 3.27Å; R47-G97 WeakPolarHBondContact CG-O 3.31Å; V48-G97 PolarHBondContact N-O 3Å; V48-G97 PolarHBondContact O-N 2.86Å; G97-H119 CarbonylContact C-O 3.58Å; G97-H119 WeakPolarHBondContact CA-O 3.33Å
98	V	98.1	Very high	93.5	Very high	40 Å²	40	44.5 Å²	44.5	24%	0.242	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133	-179.8	-179.5	0	0	0	0	109.7	R47 V118 H119 E121	R47-V98 HydrophobicContact CB-CG2 4.42Å; R47-V98 HydrophobicContact CG-CG2 4.24Å; V98-V118 CarbonylContact O-C 3.45Å; V98-V118 WeakPolarHBondContact O-CA 3.42Å; V98-H119 PolarHBondContact N-O 3.26Å; V98-H119 PolarHBondContact O-N 2.92Å; V98-E121 WeakPolarHBondContact CG2-OE1 3.31Å
99	V	97.8	Very high	93.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.2	176.2	-177.6	0	0	0	0	109.5	L39 H43 V44 G45 K46 V48 I116 E117 V118	L39-V99 HydrophobicContact CD1-CG2 4.2Å; L39-V99 HydrophobicContact CD2-CG2 4.21Å; H43-V99 HydrophobicContact CB-CG1 4.28Å; H43-V99 HydrophobicContact CB-CG2 4.31Å; H43-V99 VanDerWaalsContact O-CB 3.31Å; H43-V99 WeakPolarHBondContact O-CB 3.48Å; V44-V99 HydrophobicContact CG2-CG1 4.31Å; G45-V99 PolarHBondContact N-O 2.98Å; K46-V99 PolarHBondContact O-N 3.37Å; V48-V99 HydrophobicContact CG1-CG2 3.75Å; V48-V99 HydrophobicContact CG2-CG2 3.93Å; V99-I116 HydrophobicContact CG1-CB 4.15Å; V99-I116 HydrophobicContact CG1-CD1 3.8Å; V99-I116 HydrophobicContact CG1-CG2 4.3Å; V99-E117 WeakPolarHBondContact CA-O 3.25Å; V99-V118 HydrophobicContact CG2-CG2 4.22Å
100	A	96.7	Very high	92.8	Very high	12 Å²	12	50.6 Å²	50.6	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.7	-179.5	0	0	0	0	0	110.6	I116 E117 H119	A100-I116 CarbonylContact O-C 3.46Å; A100-I116 VanDerWaalsContact O-CA 3.27Å; A100-I116 WeakPolarHBondContact O-CA 3.48Å; A100-I116 WeakPolarHBondContact O-CB 3.45Å; A100-E117 PolarHBondContact N-O 3.08Å; A100-E117 PolarHBondContact O-N 3.37Å; A100-E117 VanDerWaalsContact O-O 3.1Å; A100-H119 WeakPolarHBondContact CB-NE2 3.33Å
101	P	95.3	Very high	92.4	Very high	79 Å²	79	51.9 Å²	51.9	51%	0.513	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.2	170.9	30.5	-33.9	0	0	0	109.9
102	R	93.3	Very high	91.9	Very high	9 Å²	9	58.9 Å²	58.9	3%	0.034	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-70.9	150.4	167.5	-67.2	-166.4	-169	170.2	5.9	110.4	D106 K107 S113 G114 Q115 I116 E117	R102-D106 WeakPolarHBondContact CD-O 3.42Å; R102-K107 HydrophobicContact CB-CG 4.23Å; R102-S113 PolarHBondContact NH2-O 2.89Å; R102-G114 WeakPolarHBondContact CD-O 3.36Å; R102-G114 PolarHBondContact NH1-O 2.73Å; R102-Q115 PolarHBondContact N-O 3.43Å; R102-I116 PolarHBondContact NE-O 2.62Å; R102-I116 PolarHBondContact NH2-O 3.48Å; R102-E117 HydrophobicContact CG-CB 4.13Å; R102-E117 HydrophobicContact CG-CG 4.12Å
103	P	90.8	Very high	91.5	Very high	68 Å²	68	57.6 Å²	57.6	44%	0.442	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-52.4	144.8	164.6	-22.6	32.8	0	0	0	110.8	A105 D106 K107	P103-A105 PolarHBondContact O-N 3.23Å; P103-A105 VanDerWaalsContact O-N 3.1Å; P103-D106 PolarHBondContact O-N 3.27Å; P103-K107 PolarHBondContact O-N 3.2Å
104	D	87.6	Confident	91.1	Very high	130 Å²	130	57.6 Å²	57.6	70%	0.695	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.9	-35.3	-174.1	-70.5	-42.2	0	0	0	113.3	D106 K107	D104-D106 VanDerWaalsContact C-N 3.29Å; D104-D106 PolarHBondContact O-N 3.22Å; D104-K107 VanDerWaalsContact OD1-CE 3.31Å; D104-K107 WeakPolarHBondContact OD1-CE 3.14Å; D104-K107 IonicContact OD1-NZ 2.81Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å
105	A	87.7	Confident	90.9	Very high	98 Å²	98	57.5 Å²	57.5	81%	0.81	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22	177.3	0	0	0	0	0	114.4	P103	P103-A105 PolarHBondContact O-N 3.23Å; P103-A105 VanDerWaalsContact O-N 3.1Å
106	D	86.7	Confident	90.8	Very high	81 Å²	81	57.5 Å²	57.5	43%	0.433	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-105.7	2.2	-175.5	-70.4	-40.7	0	0	0	113.2	R102 P103 D104	R102-D106 WeakPolarHBondContact CD-O 3.42Å; P103-D106 PolarHBondContact O-N 3.27Å; D104-D106 VanDerWaalsContact C-N 3.29Å; D104-D106 PolarHBondContact O-N 3.22Å
107	K	89.3	Confident	90.8	Very high	76 Å²	76	56.8 Å²	56.8	33%	0.33	31%	0.314	S	S	.	.			trans	-63.2	134.5	174.8	-74.7	176.3	170.2	172.4	0	110.4	R102 P103 D104 G114 Q115	R102-K107 HydrophobicContact CB-CG 4.23Å; P103-K107 PolarHBondContact O-N 3.2Å; D104-K107 VanDerWaalsContact OD1-CE 3.31Å; D104-K107 WeakPolarHBondContact OD1-CE 3.14Å; D104-K107 IonicContact OD1-NZ 2.81Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å; K107-G114 WeakPolarHBondContact CA-O 3.24Å; K107-Q115 VanDerWaalsContact CG-OE1 3.24Å
108	R	87.7	Confident	90.8	Very high	101 Å²	101	56.8 Å²	56.8	38%	0.381	31%	0.314	S	S	.	.			trans	-121	91.3	-177.5	-78.8	-168	-176.5	-124.6	-9.8	110.5	R58 D110 I111 G114	R58-R108 VanDerWaalsContact NH1-NH2 3.16Å; R108-D110 VanDerWaalsContact CB-OD1 3.29Å; R108-D110 WeakPolarHBondContact CB-OD1 3.45Å; R108-D110 PolarHBondContact O-N 3.04Å; R108-D110 VanDerWaalsContact O-N 3.15Å; R108-I111 HydrophobicContact CB-CD1 4.19Å; R108-I111 HydrophobicContact CB-CG1 3.93Å; R108-I111 PolarHBondContact O-N 2.89Å; R108-G114 PolarHBondContact N-O 3.5Å; R108-G114 VanDerWaalsContact O-CA 3.27Å; R108-G114 WeakPolarHBondContact O-CA 3.46Å
109	P	83.9	Confident	90.8	Very high	115 Å²	115	58.3 Å²	58.3	75%	0.747	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	-175.1	26.1	-33.4	0	0	0	113.6	I111	P109-I111 VanDerWaalsContact C-N 3.34Å; P109-I111 PolarHBondContact O-N 2.92Å
110	D	83.8	Confident	90.7	Very high	120 Å²	120	58.2 Å²	58.2	64%	0.642	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.8	-179.9	60.3	-52.8	0	0	0	114.5	R108	R108-D110 VanDerWaalsContact CB-OD1 3.29Å; R108-D110 WeakPolarHBondContact CB-OD1 3.45Å; R108-D110 PolarHBondContact O-N 3.04Å; R108-D110 VanDerWaalsContact O-N 3.15Å
111	I	83.3	Confident	90.8	Very high	53 Å²	53	60.9 Å²	60.9	27%	0.272	33%	0.328	S	S	.	.	S	Bend	trans	-122.7	142	-179.1	61.5	175.8	0	0	0	111.6	R108 P109 S113 G114	R108-I111 HydrophobicContact CB-CD1 4.19Å; R108-I111 HydrophobicContact CB-CG1 3.93Å; R108-I111 PolarHBondContact O-N 2.89Å; P109-I111 VanDerWaalsContact C-N 3.34Å; P109-I111 PolarHBondContact O-N 2.92Å; I111-S113 VanDerWaalsContact C-N 3.28Å; I111-S113 PolarHBondContact O-N 3.37Å; I111-G114 VanDerWaalsContact CG1-CA 3.48Å; I111-G114 WeakPolarHBondContact O-CA 3.27Å; I111-G114 PolarHBondContact O-N 3.1Å
112	K	83	Confident	90.9	Very high	147 Å²	147	61.2 Å²	61.2	64%	0.639	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.4	-176.7	-173.3	178.9	175.4	-166.5	0	114.1	G37 G114	G37-K112 WeakPolarHBondContact O-CD 3.42Å; G37-K112 WeakPolarHBondContact O-CE 3.47Å; G37-K112 PolarHBondContact O-NZ 2.8Å; K112-G114 VanDerWaalsContact C-N 3.29Å
113	S	88	Confident	91.1	Very high	6 Å²	6	61.2 Å²	61.2	4%	0.042	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.3	176.4	61.2	0	0	0	0	113	V71 R102 I111 Q115 I116	V71-S113 WeakPolarHBondContact O-CB 3.38Å; V71-S113 PolarHBondContact O-OG 3.26Å; R102-S113 PolarHBondContact NH2-O 2.89Å; I111-S113 VanDerWaalsContact C-N 3.28Å; I111-S113 PolarHBondContact O-N 3.37Å; S113-Q115 VanDerWaalsContact C-N 3.29Å; S113-Q115 PolarHBondContact O-N 3.23Å; S113-I116 WeakPolarHBondContact O-CG1 3.48Å; S113-I116 PolarHBondContact O-N 2.82Å
114	G	90.3	Very high	91.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.4	-167	0	0	0	0	0	115.4	R102 K107 R108 I111 K112	R102-G114 WeakPolarHBondContact CD-O 3.36Å; R102-G114 PolarHBondContact NH1-O 2.73Å; K107-G114 WeakPolarHBondContact CA-O 3.24Å; R108-G114 PolarHBondContact N-O 3.5Å; R108-G114 VanDerWaalsContact O-CA 3.27Å; R108-G114 WeakPolarHBondContact O-CA 3.46Å; I111-G114 VanDerWaalsContact CG1-CA 3.48Å; I111-G114 WeakPolarHBondContact O-CA 3.27Å; I111-G114 PolarHBondContact O-N 3.1Å; K112-G114 VanDerWaalsContact C-N 3.29Å
115	Q	93.5	Very high	91.8	Very high	47 Å²	47	58.8 Å²	58.8	22%	0.22	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13	173.9	-55.5	-58.9	-21.9	0	0	112.8	E41 R102 K107 S113	E41-Q115 HydrophobicContact CG-CB 3.65Å; E41-Q115 HydrophobicContact CG-CG 4.31Å; E41-Q115 WeakPolarHBondContact OE1-CB 3.31Å; E41-Q115 WeakPolarHBondContact OE1-CG 3.35Å; R102-Q115 PolarHBondContact N-O 3.43Å; K107-Q115 VanDerWaalsContact CG-OE1 3.24Å; S113-Q115 VanDerWaalsContact C-N 3.29Å; S113-Q115 PolarHBondContact O-N 3.23Å
116	I	95.6	Very high	92.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162	-173.3	60.3	156	0	0	0	112.2	L39 E41 V44 I72 V99 A100 R102 S113	L39-I116 HydrophobicContact CB-CD1 3.59Å; E41-I116 HydrophobicContact CG-CG2 4.24Å; V44-I116 HydrophobicContact CG2-CG2 3.92Å; I72-I116 HydrophobicContact CD1-CD1 4.19Å; V99-I116 HydrophobicContact CG1-CB 4.15Å; V99-I116 HydrophobicContact CG1-CD1 3.8Å; V99-I116 HydrophobicContact CG1-CG2 4.3Å; A100-I116 CarbonylContact O-C 3.46Å; A100-I116 VanDerWaalsContact O-CA 3.27Å; A100-I116 WeakPolarHBondContact O-CA 3.48Å; A100-I116 WeakPolarHBondContact O-CB 3.45Å; R102-I116 PolarHBondContact NE-O 2.62Å; R102-I116 PolarHBondContact NH2-O 3.48Å; S113-I116 WeakPolarHBondContact O-CG1 3.48Å; S113-I116 PolarHBondContact O-N 2.82Å
117	E	96.4	Very high	92.6	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171	166.1	60	-178.6	-165.3	0	0	109.8	Q73 V99 A100 R102 H119	Q73-E117 HydrophobicContact CB-CB 4.13Å; Q73-E117 HydrophobicContact CG-CB 4.24Å; Q73-E117 PolarHBondContact NE2-OE2 3.38Å; Q73-E117 CarbonylContact O-C 3.56Å; Q73-E117 WeakPolarHBondContact O-CA 3.39Å; V99-E117 WeakPolarHBondContact CA-O 3.25Å; A100-E117 PolarHBondContact N-O 3.08Å; A100-E117 PolarHBondContact O-N 3.37Å; A100-E117 VanDerWaalsContact O-O 3.1Å; R102-E117 HydrophobicContact CG-CB 4.13Å; R102-E117 HydrophobicContact CG-CG 4.12Å; E117-H119 IonicContact OE1-NE2 3.54Å
118	V	97.7	Very high	92.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.3	176.8	-179.3	0	0	0	0	109.1	L39 V48 L50 I72 Q73 L74 L75 V98 V99 A120	L39-V118 HydrophobicContact CD1-CG2 4.26Å; V48-V118 HydrophobicContact CG2-CG1 3.93Å; V48-V118 HydrophobicContact CG2-CG2 4.22Å; L50-V118 HydrophobicContact CD1-CG2 3.97Å; I72-V118 HydrophobicContact CD1-CG2 3.62Å; I72-V118 HydrophobicContact CG1-CG2 4.21Å; Q73-V118 PolarHBondContact O-N 3.2Å; L74-V118 CarbonylContact C-O 3.59Å; L74-V118 VanDerWaalsContact CA-O 3.28Å; L74-V118 WeakPolarHBondContact CA-O 3.27Å; L74-V118 HydrophobicContact CD2-CB 3.88Å; L74-V118 HydrophobicContact CD2-CG1 4.4Å; L75-V118 PolarHBondContact N-O 2.96Å; V98-V118 CarbonylContact O-C 3.45Å; V98-V118 WeakPolarHBondContact O-CA 3.42Å; V99-V118 HydrophobicContact CG2-CG2 4.22Å; V118-A120 PolarHBondContact O-N 3.19Å; V118-A120 VanDerWaalsContact O-N 3.15Å
119	H	97.7	Very high	93.1	Very high	72 Å²	72	57.9 Å²	57.9	33%	0.333	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	106.6	170.5	-68.2	-170.5	0	0	0	108.2	G97 V98 A100 E117 E121	G97-H119 CarbonylContact C-O 3.58Å; G97-H119 WeakPolarHBondContact CA-O 3.33Å; V98-H119 PolarHBondContact N-O 3.26Å; V98-H119 PolarHBondContact O-N 2.92Å; A100-H119 WeakPolarHBondContact CB-NE2 3.33Å; E117-H119 IonicContact OE1-NE2 3.54Å; H119-E121 PolarHBondContact O-N 3.31Å
120	A	97.6	Very high	93.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	112.2	-177.2	0	0	0	0	0	110.3	L75 L76 N77 L80 V95 V118 I123	L75-A120 PolarHBondContact O-N 2.8Å; L76-A120 HydrophobicContact CD2-CB 4.19Å; N77-A120 PolarHBondContact ND2-O 3.43Å; L80-A120 HydrophobicContact CD1-CB 3.94Å; L80-A120 VanDerWaalsContact CD1-O 3.23Å; L80-A120 WeakPolarHBondContact CD1-O 3.37Å; V95-A120 HydrophobicContact CG1-CB 3.89Å; V118-A120 PolarHBondContact O-N 3.19Å; V118-A120 VanDerWaalsContact O-N 3.15Å; A120-I123 HydrophobicContact CB-CD1 4.15Å; A120-I123 HydrophobicContact CB-CG1 4.27Å
121	E	97.3	Very high	92.8	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-44.2	175.7	-65.4	174.9	157.2	0	0	110.8	R47 H79 T96 V98 H119	R47-E121 IonicContact CZ-OE2 3.67Å; R47-E121 IonicContact NE-OE2 2.74Å; R47-E121 PolarHBondContact NE-OE2 3.48Å; R47-E121 IonicContact NH2-OE2 3.41Å; R47-E121 PolarHBondContact NH2-OE2 3.32Å; H79-E121 PolarHBondContact NE2-O 3.37Å; T96-E121 PolarHBondContact O-N 3.22Å; V98-E121 WeakPolarHBondContact CG2-OE1 3.31Å; H119-E121 PolarHBondContact O-N 3.31Å
122	D	97.1	Very high	92.6	Very high	87 Å²	87	63.8 Å²	63.8	47%	0.465	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.9	-177.9	179.6	59	0	0	0	111.1	V95 T96	V95-D122 WeakPolarHBondContact CA-O 3.27Å; T96-D122 PolarHBondContact N-O 2.93Å; T96-D122 PolarHBondContact O-N 3.1Å; T96-D122 VanDerWaalsContact O-N 3.12Å
123	I	97.3	Very high	92.7	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.1	176.6	-64.3	-178.6	0	0	0	109.1	L76 L80 L83 M84 L93 K94 V95 A120	L76-I123 HydrophobicContact CD2-CD1 3.43Å; L76-I123 VanDerWaalsContact CD2-CD1 3.43Å; L80-I123 HydrophobicContact CD1-CD1 3.99Å; L80-I123 HydrophobicContact CD1-CG1 3.98Å; L80-I123 HydrophobicContact CD2-CB 4.33Å; L80-I123 HydrophobicContact CD2-CG1 4.46Å; L83-I123 HydrophobicContact CD2-CB 4.23Å; L83-I123 HydrophobicContact CD2-CG2 4.23Å; M84-I123 HydrophobicContact CG-CD1 4.07Å; M84-I123 HydrophobicContact SD-CD1 4.04Å; M84-I123 HydrophobicContact SD-CG2 4.19Å; L93-I123 HydrophobicContact CB-CG2 4.38Å; L93-I123 HydrophobicContact CD1-CG2 4.04Å; L93-I123 HydrophobicContact CD2-CG2 3.93Å; L93-I123 HydrophobicContact CG-CG2 4.35Å; K94-I123 WeakPolarHBondContact O-CA 3.45Å; V95-I123 HydrophobicContact CG1-CG1 4.15Å; V95-I123 HydrophobicContact CG2-CG1 4.12Å; A120-I123 HydrophobicContact CB-CD1 4.15Å; A120-I123 HydrophobicContact CB-CG1 4.27Å
124	Q	97.2	Very high	92.7	Very high	99 Å²	99	61.3 Å²	61.3	46%	0.463	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.1	166.9	-174.8	-177	15.4	0	0	109.4	L93 K94 L126	L93-Q124 WeakPolarHBondContact CA-O 3.19Å; K94-Q124 HydrophobicContact CB-CB 4.29Å; K94-Q124 PolarHBondContact N-O 3.17Å; K94-Q124 PolarHBondContact O-N 2.89Å; Q124-L126 HydrophobicContact CG-CD2 4.07Å; Q124-L126 PolarHBondContact O-N 3.24Å
125	V	96.7	Very high	92.5	Very high	48 Å²	48	61.7 Å²	61.7	29%	0.291	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	105.9	169.8	-176.1	0	0	0	0	107.9	L83 V87 L93 K128	L83-V125 HydrophobicContact CD1-CG2 4.03Å; L83-V125 HydrophobicContact CD2-CG2 4.5Å; L83-V125 HydrophobicContact CG-CG2 4.47Å; V87-V125 HydrophobicContact CG2-CG2 3.67Å; L93-V125 HydrophobicContact CD2-CB 4.29Å; L93-V125 HydrophobicContact CD2-CG1 4.37Å; L93-V125 HydrophobicContact CD2-CG2 3.85Å; V125-K128 HydrophobicContact CG1-CB 4.41Å
126	L	96.5	Very high	91.8	Very high	78 Å²	78	61.7 Å²	61.7	41%	0.408	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-39.5	-179.6	-64.8	-177.8	0	0	0	111.8	V92 K94 Q124	V92-L126 HydrophobicContact CB-CB 4.32Å; V92-L126 HydrophobicContact CG1-CB 4.09Å; V92-L126 HydrophobicContact CG1-CD1 4.15Å; V92-L126 PolarHBondContact O-N 2.98Å; K94-L126 HydrophobicContact CB-CD1 3.89Å; K94-L126 HydrophobicContact CB-CD2 4.08Å; K94-L126 HydrophobicContact CB-CG 3.91Å; Q124-L126 HydrophobicContact CG-CD2 4.07Å; Q124-L126 PolarHBondContact O-N 3.24Å
127	N	95.2	Very high	91	Very high	110 Å²	110	62.5 Å²	62.5	59%	0.588	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.9	125.8	175.9	-165.8	1.4	0	0	0	110.3	S91 V92	S91-N127 CarbonylContact C-O 3.52Å; S91-N127 WeakPolarHBondContact CA-O 3.21Å; V92-N127 HydrophobicContact CB-CB 4.14Å; V92-N127 HydrophobicContact CG2-CB 4.18Å; V92-N127 PolarHBondContact N-O 3.15Å; V92-N127 PolarHBondContact O-N 3.08Å
128	K	94.1	Very high	90	Very high	119 Å²	119	70 Å²	70	52%	0.517	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-85.7	126.4	-179.6	-166.1	179.5	-176.1	176.6	0	109	T86 P88 V125	T86-K128 WeakPolarHBondContact O-CE 3.43Å; T86-K128 PolarHBondContact O-NZ 3.46Å; T86-K128 VanDerWaalsContact O-NZ 3.15Å; P88-K128 HydrophobicContact CG-CG 4.4Å; V125-K128 HydrophobicContact CG1-CB 4.41Å
129	C	92.1	Very high	88.6	Confident	29 Å²	29	72.7 Å²	72.7	20%	0.196	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-69.3	154.7	172.9	-160.5	0	0	0	0	110.3	P88 L89 D90 S91	P88-C129 HydrophobicContact CB-CB 4.49Å; P88-C129 WeakPolarHBondContact CG-O 3.47Å; L89-C129 WeakPolarHBondContact O-CB 3.47Å; D90-C129 HydrophobicContact CB-CB 4.3Å; S91-C129 PolarHBondContact OG-N 2.95Å
130	L	85.2	Confident	87.3	Confident	145 Å²	145	73.8 Å²	73.8	76%	0.759	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-60.3	161.7	161.1	-62.1	176.1	0	0	0	109.3	H132	L130-H132 PolarHBondContact O-N 3.48Å
131	T	76.7	Confident	86.1	Confident	122 Å²	122	79.8 Å²	79.8	75%	0.748	43%	0.426	S	S	*	.	S	Bend	trans	-56.2	-30.4	-170.8	49.2	0	0	0	0	113.9
132	H	79.5	Confident	84.9	Confident	145 Å²	145	79 Å²	79	67%	0.671	43%	0.431	S	S	*	.	S	Bend	trans	-144.2	142.7	174.2	58.3	-72.5	0	0	0	111.2	L130	L130-H132 PolarHBondContact O-N 3.48Å
133	I	85.2	Confident	84.2	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.215	42%	0.417	C	S	.	.			trans	-81.3	142.9	166.6	56.3	168.8	0	0	0	109.7	D90 I135 L154	D90-I133 HydrophobicContact CB-CG2 4.05Å; D90-I133 WeakPolarHBondContact OD2-CD1 3.32Å; I133-I135 VanDerWaalsContact C-N 3.26Å; I133-I135 VanDerWaalsContact CD1-O 3.29Å; I133-I135 WeakPolarHBondContact CD1-O 3.49Å; I133-I135 PolarHBondContact O-N 3.03Å; I133-L154 HydrophobicContact CB-CD1 4.14Å; I133-L154 HydrophobicContact CG2-CD1 4.31Å
134	P	87.2	Confident	83.8	Confident	60 Å²	60	78.8 Å²	78.8	39%	0.39	44%	0.437	S	S	.	.	S	Bend	trans	-74.9	-11	-171.8	28.8	-36.7	0	0	0	114.5	Y151 L154	P134-Y151 HydrophobicContact CB-CD1 4.36Å; P134-Y151 HydrophobicContact CB-CD2 3.96Å; P134-Y151 HydrophobicContact CB-CE1 4.07Å; P134-Y151 HydrophobicContact CB-CE2 3.63Å; P134-Y151 HydrophobicContact CB-CG 4.31Å; P134-Y151 HydrophobicContact CG-CD1 3.45Å; P134-Y151 VanDerWaalsContact CG-CD1 3.45Å; P134-Y151 HydrophobicContact CG-CD2 3.77Å; P134-Y151 HydrophobicContact CG-CE1 3.48Å; P134-Y151 VanDerWaalsContact CG-CE1 3.48Å; P134-Y151 HydrophobicContact CG-CE2 3.79Å; P134-Y151 HydrophobicContact CG-CG 3.59Å; P134-L154 HydrophobicContact CG-CD1 3.96Å
135	I	86.3	Confident	83.4	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.041	43%	0.434	C	S	.	.	S	Bend	trans	-136.8	148.5	-178.9	62.3	163.5	0	0	0	111.9	I133 C137 P143 L147 Y151 L154 D155	I133-I135 VanDerWaalsContact C-N 3.26Å; I133-I135 VanDerWaalsContact CD1-O 3.29Å; I133-I135 WeakPolarHBondContact CD1-O 3.49Å; I133-I135 PolarHBondContact O-N 3.03Å; I135-C137 PolarHBondContact O-N 3.15Å; I135-P143 HydrophobicContact CB-CB 4.47Å; I135-P143 HydrophobicContact CB-CG 3.8Å; I135-P143 HydrophobicContact CG2-CB 4.25Å; I135-P143 HydrophobicContact CG2-CG 4.11Å; I135-L147 HydrophobicContact CG2-CB 4.08Å; I135-Y151 HydrophobicContact CG2-CD2 3.86Å; I135-Y151 HydrophobicContact CG2-CG 4.38Å; I135-L154 HydrophobicContact CD1-CB 3.75Å; I135-L154 HydrophobicContact CG1-CB 3.84Å; I135-L154 HydrophobicContact CG1-CD1 4.33Å; I135-D155 HydrophobicContact CD1-CB 3.88Å
136	S	79.6	Confident	83	Confident	47 Å²	47	80.1 Å²	80.1	33%	0.329	45%	0.449	S	S	.	.			trans	-71.1	123.9	170.4	173.9	0	0	0	0	110.2	R138	S136-R138 PolarHBondContact O-N 3.36Å; S136-R138 PolarHBondContact OG-N 2.92Å
137	C	78.7	Confident	82.9	Confident	17 Å²	17	79.7 Å²	79.7	12%	0.115	45%	0.447	C	S	.	.			trans	-83.2	19.1	170.8	-56.4	0	0	0	0	112.8	I135 R157	I135-C137 PolarHBondContact O-N 3.15Å; C137-R157 HydrophobicContact CB-CB 4.17Å
138	R	74.7	Confident	82.8	Confident	167 Å²	167	75.9 Å²	75.9	63%	0.63	43%	0.425	S	S	*	.			trans	-107.3	136.2	178.6	-61.5	-177	178.1	-178.2	-0.1	110.5	S136 A140	S136-R138 PolarHBondContact O-N 3.36Å; S136-R138 PolarHBondContact OG-N 2.92Å; R138-A140 PolarHBondContact O-N 3.24Å
139	D	69.9	Low	82.8	Confident	55 Å²	55	70.7 Å²	70.7	29%	0.294	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-70.8	-28.9	-175.5	-76.6	-52.1	0	0	0	114.6	N141 R158 Q159 R160	D139-N141 PolarHBondContact O-N 3.49Å; D139-R158 WeakPolarHBondContact OD1-CB 3.44Å; D139-R158 WeakPolarHBondContact OD1-CD 3.29Å; D139-R158 IonicContact OD1-CZ 2.68Å; D139-R158 IonicContact OD1-NE 3.62Å; D139-R158 IonicContact OD1-NH1 3.38Å; D139-R158 PolarHBondContact OD1-NH1 2.86Å; D139-Q159 PolarHBondContact OD2-N 3.27Å; D139-R160 PolarHBondContact OD2-N 2.85Å
140	A	69.9	Low	82.9	Confident	95 Å²	95	76 Å²	76	79%	0.785	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-61	-30.6	-178.7	0	0	0	0	0	113.9	R138	R138-A140 PolarHBondContact O-N 3.24Å
141	N	71.5	Confident	83.4	Confident	126 Å²	126	71.3 Å²	71.3	67%	0.674	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-125.3	66.8	179.8	-67.6	-19.5	0	0	0	109.2	D139	D139-N141 PolarHBondContact O-N 3.49Å
142	A	71.9	Confident	84.3	Confident	52 Å²	52	65.8 Å²	65.8	43%	0.43	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.8	127.6	179.1	0	0	0	0	0	110.4
143	P	82.1	Confident	85	Confident	25 Å²	25	65 Å²	65	16%	0.162	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.3	166	173.7	-12.8	23.1	0	0	0	111.6	I135 L147 R148	I135-P143 HydrophobicContact CB-CB 4.47Å; I135-P143 HydrophobicContact CB-CG 3.8Å; I135-P143 HydrophobicContact CG2-CB 4.25Å; I135-P143 HydrophobicContact CG2-CG 4.11Å; P143-L147 HydrophobicContact CB-CB 4.26Å; P143-R148 HydrophobicContact CB-CG 4.01Å; P143-R148 HydrophobicContact CG-CG 4.16Å; P143-R148 WeakPolarHBondContact O-CD 3.29Å
144	S	89.2	Confident	85.4	Confident	66 Å²	66	63.6 Å²	63.6	46%	0.462	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-55.3	148	171.3	66.7	0	0	0	0	111.1	S146 L147 R148	S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.83Å; S144-L147 PolarHBondContact O-N 3.25Å; S144-L147 VanDerWaalsContact O-N 3.11Å; S144-L147 WeakPolarHBondContact OG-CG 3.38Å; S144-R148 VanDerWaalsContact O-CG 3.31Å; S144-R148 WeakPolarHBondContact O-CG 3.14Å; S144-R148 PolarHBondContact O-N 3.19Å
145	E	88.6	Confident	85.7	Confident	87 Å²	87	60.8 Å²	60.8	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-55.5	-41.9	-178.8	-176.3	171.7	-162.9	0	0	112.5	L147 R148 L149 R586	E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.34Å; E145-R148 WeakPolarHBondContact O-CB 3.44Å; E145-R148 PolarHBondContact O-N 3.38Å; E145-R148 VanDerWaalsContact O-N 3.11Å; E145-L149 HydrophobicContact CG-CD1 4.13Å; E145-L149 HydrophobicContact CG-CG 4.3Å; E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 2.7Å; E145-R586 WeakPolarHBondContact OE1-CD 3.43Å; E145-R586 IonicContact OE1-NE 3Å
146	S	89.9	Confident	86.1	Confident	88 Å²	88	61.4 Å²	61.4	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-58.1	-43.7	177.4	-43.6	0	0	0	0	112.5	S144 R150	S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.83Å; S146-R150 WeakPolarHBondContact O-CB 3.45Å; S146-R150 PolarHBondContact O-N 3.22Å
147	L	92.8	Very high	86.6	Confident	69 Å²	69	62.4 Å²	62.4	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-39.2	175.8	-76.5	173.8	0	0	0	111.7	I135 P143 S144 E145 R150 Y151	I135-L147 HydrophobicContact CG2-CB 4.08Å; P143-L147 HydrophobicContact CB-CB 4.26Å; S144-L147 PolarHBondContact O-N 3.25Å; S144-L147 VanDerWaalsContact O-N 3.11Å; S144-L147 WeakPolarHBondContact OG-CG 3.38Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.34Å; L147-R150 PolarHBondContact O-N 2.65Å; L147-Y151 HydrophobicContact CD2-CD2 4.29Å; L147-Y151 HydrophobicContact CD2-CE2 3.96Å; L147-Y151 WeakPolarHBondContact O-CD2 3.13Å; L147-Y151 PolarHBondContact O-N 3.29Å
148	R	93.3	Very high	87.2	Confident	30 Å²	30	61.6 Å²	61.6	11%	0.113	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-43.1	177.9	-69.5	170.4	53.2	-157.9	-3.4	112.1	P143 S144 E145 Y151 R152 D155 D587	P143-R148 HydrophobicContact CB-CG 4.01Å; P143-R148 HydrophobicContact CG-CG 4.16Å; P143-R148 WeakPolarHBondContact O-CD 3.29Å; S144-R148 VanDerWaalsContact O-CG 3.31Å; S144-R148 WeakPolarHBondContact O-CG 3.14Å; S144-R148 PolarHBondContact O-N 3.19Å; E145-R148 WeakPolarHBondContact O-CB 3.44Å; E145-R148 PolarHBondContact O-N 3.38Å; E145-R148 VanDerWaalsContact O-N 3.11Å; R148-Y151 CarbonylContact O-C 3.59Å; R148-R152 WeakPolarHBondContact O-CA 3.46Å; R148-R152 PolarHBondContact O-N 2.75Å; R148-D155 HydrophobicContact CB-CB 4.4Å; R148-D155 IonicContact NE-OD1 3.17Å; R148-D155 IonicContact NE-OD2 3.04Å; R148-D155 PolarHBondContact NE-OD2 3.15Å; R148-D155 IonicContact NH2-OD2 3.15Å; R148-D587 IonicContact CZ-OD1 3.83Å; R148-D587 IonicContact NH2-OD1 2.75Å; R148-D587 PolarHBondContact NH2-OD1 3Å; R148-D587 IonicContact NH2-OD2 2.85Å
149	L	94.2	Very high	87.9	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-43.3	177.3	-66.9	178.7	0	0	0	111.5	E145 Y151 R152 P592 P600	E145-L149 HydrophobicContact CG-CD1 4.13Å; E145-L149 HydrophobicContact CG-CG 4.3Å; E145-L149 WeakPolarHBondContact O-CG 3.4Å; E145-L149 PolarHBondContact O-N 2.7Å; L149-Y151 VanDerWaalsContact C-N 3.31Å; L149-Y151 PolarHBondContact O-N 3.1Å; L149-R152 WeakPolarHBondContact O-CB 3.27Å; L149-R152 PolarHBondContact O-N 3.11Å; L149-P592 HydrophobicContact CD2-CG 3.82Å; L149-P600 HydrophobicContact CB-CB 4.23Å; L149-P600 HydrophobicContact CB-CG 3.86Å; L149-P600 HydrophobicContact CD1-CG 4.3Å
150	R	95.5	Very high	88.9	Confident	140 Å²	140	60.5 Å²	60.5	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-41.4	176.7	-176.4	176.2	-178.4	178	1.1	112.6	S146 L147 P600	S146-R150 WeakPolarHBondContact O-CB 3.45Å; S146-R150 PolarHBondContact O-N 3.22Å; L147-R150 PolarHBondContact O-N 2.65Å; R150-P600 HydrophobicContact CB-CB 4.38Å
151	Y	95.2	Very high	90.1	Very high	47 Å²	47	56 Å²	56	18%	0.184	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	37.7	-179.6	-60.1	-69.1	0	0	0	112	P134 I135 L147 R148 L149 Y153 L154 D155	P134-Y151 HydrophobicContact CB-CD1 4.36Å; P134-Y151 HydrophobicContact CB-CD2 3.96Å; P134-Y151 HydrophobicContact CB-CE1 4.07Å; P134-Y151 HydrophobicContact CB-CE2 3.63Å; P134-Y151 HydrophobicContact CB-CG 4.31Å; P134-Y151 HydrophobicContact CG-CD1 3.45Å; P134-Y151 VanDerWaalsContact CG-CD1 3.45Å; P134-Y151 HydrophobicContact CG-CD2 3.77Å; P134-Y151 HydrophobicContact CG-CE1 3.48Å; P134-Y151 VanDerWaalsContact CG-CE1 3.48Å; P134-Y151 HydrophobicContact CG-CE2 3.79Å; P134-Y151 HydrophobicContact CG-CG 3.59Å; I135-Y151 HydrophobicContact CG2-CD2 3.86Å; I135-Y151 HydrophobicContact CG2-CG 4.38Å; L147-Y151 HydrophobicContact CD2-CD2 4.29Å; L147-Y151 HydrophobicContact CD2-CE2 3.96Å; L147-Y151 WeakPolarHBondContact O-CD2 3.13Å; L147-Y151 PolarHBondContact O-N 3.29Å; R148-Y151 CarbonylContact O-C 3.59Å; L149-Y151 VanDerWaalsContact C-N 3.31Å; L149-Y151 PolarHBondContact O-N 3.1Å; Y151-Y153 AromaticContact CD1-CZ 3.98Å; Y151-Y153 WeakPolarHBondContact CD1-OH 3.18Å; Y151-Y153 PolarHBondContact O-N 3.36Å; Y151-Y153 VanDerWaalsContact O-N 3.11Å; Y151-L154 WeakPolarHBondContact O-CA 3.09Å; Y151-L154 WeakPolarHBondContact O-CB 3.39Å; Y151-L154 PolarHBondContact O-N 2.94Å; Y151-D155 PolarHBondContact O-N 2.98Å
152	R	95.7	Very high	91.2	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-55.5	-35.5	-171.3	-173.4	57.4	175.9	-169.7	-7.3	113.7	R148 L149 L154 D155 L156 L161 R586 I589 A590 F591 M601	R148-R152 WeakPolarHBondContact O-CA 3.46Å; R148-R152 PolarHBondContact O-N 2.75Å; L149-R152 WeakPolarHBondContact O-CB 3.27Å; L149-R152 PolarHBondContact O-N 3.11Å; R152-L154 PolarHBondContact O-N 2.88Å; R152-D155 IonicContact CZ-OD2 2.75Å; R152-D155 IonicContact NH1-OD2 3.21Å; R152-D155 PolarHBondContact NH1-OD2 3.08Å; R152-D155 PolarHBondContact O-N 2.98Å; R152-D155 VanDerWaalsContact O-N 3.09Å; R152-L156 HydrophobicContact CG-CD1 4.41Å; R152-L156 HydrophobicContact CG-CG 4.29Å; R152-L156 WeakPolarHBondContact O-CB 3.48Å; R152-L156 VanDerWaalsContact O-CG 3.25Å; R152-L156 WeakPolarHBondContact O-CG 3.27Å; R152-L156 PolarHBondContact O-N 2.86Å; R152-L161 VanDerWaalsContact NH1-CD1 3.27Å; R152-R586 PolarHBondContact NH2-O 2.83Å; R152-I589 PolarHBondContact NH2-O 3.05Å; R152-A590 VanDerWaalsContact CG-O 3.25Å; R152-A590 WeakPolarHBondContact CG-O 3.4Å; R152-A590 PolarHBondContact NE-O 3.42Å; R152-F591 HydrophobicContact CB-CD1 4.35Å; R152-F591 HydrophobicContact CG-CD1 3.9Å; R152-F591 HydrophobicContact CG-CE1 4.3Å; R152-M601 HydrophobicContact CB-SD 4.27Å
153	Y	94.4	Very high	92.2	Very high	128 Å²	128	53 Å²	53	50%	0.502	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-23	175.1	53.8	-94.8	0	0	0	114.3	Y151 M601	Y151-Y153 AromaticContact CD1-CZ 3.98Å; Y151-Y153 WeakPolarHBondContact CD1-OH 3.18Å; Y151-Y153 PolarHBondContact O-N 3.36Å; Y151-Y153 VanDerWaalsContact O-N 3.11Å; Y153-M601 HydrophobicContact CD1-CG 4.17Å; Y153-M601 HydrophobicContact CD1-SD 3.87Å; Y153-M601 HydrophobicContact CE1-CG 4.28Å
154	L	92.9	Very high	92.9	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-92.2	-36.9	168.6	-66.3	175.5	0	0	0	111.5	I133 P134 I135 Y151 R152 L156 R157	I133-L154 HydrophobicContact CB-CD1 4.14Å; I133-L154 HydrophobicContact CG2-CD1 4.31Å; P134-L154 HydrophobicContact CG-CD1 3.96Å; I135-L154 HydrophobicContact CD1-CB 3.75Å; I135-L154 HydrophobicContact CG1-CB 3.84Å; I135-L154 HydrophobicContact CG1-CD1 4.33Å; Y151-L154 WeakPolarHBondContact O-CA 3.09Å; Y151-L154 WeakPolarHBondContact O-CB 3.39Å; Y151-L154 PolarHBondContact O-N 2.94Å; R152-L154 PolarHBondContact O-N 2.88Å; L154-L156 PolarHBondContact O-N 2.78Å; L154-R157 VanDerWaalsContact O-CB 3.24Å; L154-R157 WeakPolarHBondContact O-CB 3.47Å; L154-R157 WeakPolarHBondContact O-CG 3.41Å; L154-R157 PolarHBondContact O-N 2.91Å
155	D	93.7	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-40.2	-178.7	-172.5	44.6	0	0	0	110.5	I135 R148 Y151 R152 R157 R158 L161	I135-D155 HydrophobicContact CD1-CB 3.88Å; R148-D155 HydrophobicContact CB-CB 4.4Å; R148-D155 IonicContact NE-OD1 3.17Å; R148-D155 IonicContact NE-OD2 3.04Å; R148-D155 PolarHBondContact NE-OD2 3.15Å; R148-D155 IonicContact NH2-OD2 3.15Å; Y151-D155 PolarHBondContact O-N 2.98Å; R152-D155 IonicContact CZ-OD2 2.75Å; R152-D155 IonicContact NH1-OD2 3.21Å; R152-D155 PolarHBondContact NH1-OD2 3.08Å; R152-D155 PolarHBondContact O-N 2.98Å; R152-D155 VanDerWaalsContact O-N 3.09Å; D155-R157 PolarHBondContact O-N 3.38Å; D155-R158 VanDerWaalsContact CG-NH2 3.33Å; D155-R158 WeakPolarHBondContact O-CB 3.44Å; D155-R158 WeakPolarHBondContact O-CG 3.39Å; D155-R158 PolarHBondContact O-N 2.7Å; D155-R158 IonicContact OD1-CZ 2.73Å; D155-R158 IonicContact OD1-NE 3.83Å; D155-R158 PolarHBondContact OD1-NE 3.22Å; D155-R158 IonicContact OD1-NH2 3.04Å; D155-R158 PolarHBondContact OD1-NH2 3.44Å; D155-R158 IonicContact OD2-NH2 3.74Å; D155-R158 PolarHBondContact OD2-NH2 3.29Å; D155-R158 VanDerWaalsContact OD2-NH2 3.15Å; D155-L161 VanDerWaalsContact OD2-CD1 3.29Å; D155-L161 WeakPolarHBondContact OD2-CD1 3.38Å
156	L	94.5	Very high	93.7	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.11	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.2	174.7	-73.3	173.7	0	0	0	113.6	R152 L154 R158 L161 Q162 L165 F591	R152-L156 HydrophobicContact CG-CD1 4.41Å; R152-L156 HydrophobicContact CG-CG 4.29Å; R152-L156 WeakPolarHBondContact O-CB 3.48Å; R152-L156 VanDerWaalsContact O-CG 3.25Å; R152-L156 WeakPolarHBondContact O-CG 3.27Å; R152-L156 PolarHBondContact O-N 2.86Å; L154-L156 PolarHBondContact O-N 2.78Å; L156-R158 PolarHBondContact O-N 3.2Å; L156-L161 HydrophobicContact CD2-CB 4.42Å; L156-L161 HydrophobicContact CD2-CD1 4.34Å; L156-Q162 WeakPolarHBondContact O-CG 3.36Å; L156-Q162 PolarHBondContact O-NE2 3.3Å; L156-L165 HydrophobicContact CD2-CD1 3.7Å; L156-F591 HydrophobicContact CD1-CE1 4.02Å; L156-F591 HydrophobicContact CD1-CZ 4Å
157	R	91.1	Very high	94	Very high	68 Å²	68	49.7 Å²	49.7	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.2	174.2	-63.8	-177.5	179.1	-179.8	3.5	113.6	W53 D90 C137 L154 D155	W53-R157 VanDerWaalsContact NE1-NH2 3.17Å; D90-R157 IonicContact OD1-NH1 2.74Å; D90-R157 PolarHBondContact OD1-NH1 3.29Å; C137-R157 HydrophobicContact CB-CB 4.17Å; L154-R157 VanDerWaalsContact O-CB 3.24Å; L154-R157 WeakPolarHBondContact O-CB 3.47Å; L154-R157 WeakPolarHBondContact O-CG 3.41Å; L154-R157 PolarHBondContact O-N 2.91Å; D155-R157 PolarHBondContact O-N 3.38Å
158	R	90	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-66	140.3	177	-72.8	-168.6	-62.2	124.7	-2.2	111	D139 D155 L156 R160 L161 Q162	D139-R158 WeakPolarHBondContact OD1-CB 3.44Å; D139-R158 WeakPolarHBondContact OD1-CD 3.29Å; D139-R158 IonicContact OD1-CZ 2.68Å; D139-R158 IonicContact OD1-NE 3.62Å; D139-R158 IonicContact OD1-NH1 3.38Å; D139-R158 PolarHBondContact OD1-NH1 2.86Å; D155-R158 VanDerWaalsContact CG-NH2 3.33Å; D155-R158 WeakPolarHBondContact O-CB 3.44Å; D155-R158 WeakPolarHBondContact O-CG 3.39Å; D155-R158 PolarHBondContact O-N 2.7Å; D155-R158 IonicContact OD1-CZ 2.73Å; D155-R158 IonicContact OD1-NE 3.83Å; D155-R158 PolarHBondContact OD1-NE 3.22Å; D155-R158 IonicContact OD1-NH2 3.04Å; D155-R158 PolarHBondContact OD1-NH2 3.44Å; D155-R158 IonicContact OD2-NH2 3.74Å; D155-R158 PolarHBondContact OD2-NH2 3.29Å; D155-R158 VanDerWaalsContact OD2-NH2 3.15Å; L156-R158 PolarHBondContact O-N 3.2Å; R158-R160 VanDerWaalsContact C-N 3.3Å; R158-R160 PolarHBondContact O-N 3.06Å; R158-L161 PolarHBondContact O-N 2.75Å; R158-Q162 WeakPolarHBondContact O-CG 3.42Å; R158-Q162 PolarHBondContact O-N 2.93Å; R158-Q162 VanDerWaalsContact O-N 3.08Å
159	Q	89.4	Confident	94.5	Very high	107 Å²	107	49.8 Å²	49.8	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-43.4	-172.9	-172.3	60.2	50.3	0	0	110.4	D139 L161 Q162 D163	D139-Q159 PolarHBondContact OD2-N 3.27Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.21Å; Q159-Q162 WeakPolarHBondContact O-CB 3.33Å; Q159-Q162 PolarHBondContact O-N 3.26Å; Q159-Q162 VanDerWaalsContact O-N 3.14Å; Q159-D163 WeakPolarHBondContact CG-OD2 3.43Å; Q159-D163 VanDerWaalsContact NE2-CG 3.34Å; Q159-D163 PolarHBondContact NE2-OD1 2.77Å; Q159-D163 PolarHBondContact NE2-OD2 3.26Å; Q159-D163 VanDerWaalsContact O-CG 3.24Å; Q159-D163 PolarHBondContact O-N 2.95Å
160	R	91.5	Very high	94.7	Very high	93 Å²	93	52.2 Å²	52.2	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-53.4	-46.3	177	-170.8	174.4	76.7	-162.4	5.5	113.3	D139 R158 D163 N164 D587	D139-R160 PolarHBondContact OD2-N 2.85Å; R158-R160 VanDerWaalsContact C-N 3.3Å; R158-R160 PolarHBondContact O-N 3.06Å; R160-D163 PolarHBondContact O-N 3.1Å; R160-N164 WeakPolarHBondContact O-CB 3.4Å; R160-N164 PolarHBondContact O-N 3.18Å; R160-N164 PolarHBondContact O-OD1 2.96Å; R160-D587 IonicContact CZ-OD2 3.21Å; R160-D587 IonicContact NE-OD2 3.52Å; R160-D587 PolarHBondContact NE-OD2 3.4Å; R160-D587 IonicContact NH2-OD2 3.33Å; R160-D587 PolarHBondContact NH2-OD2 3.02Å
161	L	94.3	Very high	94.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-73.1	-35.9	-179.3	-60.9	-174.9	0	0	0	112.2	R152 D155 L156 R158 Q159 D163 N164 L165 D587	R152-L161 VanDerWaalsContact NH1-CD1 3.27Å; D155-L161 VanDerWaalsContact OD2-CD1 3.29Å; D155-L161 WeakPolarHBondContact OD2-CD1 3.38Å; L156-L161 HydrophobicContact CD2-CB 4.42Å; L156-L161 HydrophobicContact CD2-CD1 4.34Å; R158-L161 PolarHBondContact O-N 2.75Å; Q159-L161 VanDerWaalsContact C-N 3.33Å; Q159-L161 PolarHBondContact O-N 3.21Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-N164 PolarHBondContact O-N 3.42Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.19Å; L161-D587 HydrophobicContact CD2-CB 3.78Å; L161-D587 WeakPolarHBondContact CD2-O 3.36Å
162	Q	94.6	Very high	95	Very high	37 Å²	37	44 Å²	44	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-42.2	173	-73	-68.4	-46.4	0	0	111.3	V68 L156 R158 Q159 R166	V68-Q162 HydrophobicContact CG2-CG 4.36Å; L156-Q162 WeakPolarHBondContact O-CG 3.36Å; L156-Q162 PolarHBondContact O-NE2 3.3Å; R158-Q162 WeakPolarHBondContact O-CG 3.42Å; R158-Q162 PolarHBondContact O-N 2.93Å; R158-Q162 VanDerWaalsContact O-N 3.08Å; Q159-Q162 WeakPolarHBondContact O-CB 3.33Å; Q159-Q162 PolarHBondContact O-N 3.26Å; Q159-Q162 VanDerWaalsContact O-N 3.14Å; Q162-R166 WeakPolarHBondContact O-CB 3.2Å; Q162-R166 WeakPolarHBondContact O-CG 3.48Å; Q162-R166 PolarHBondContact O-N 3.31Å; Q162-R166 PolarHBondContact O-NH1 3.21Å; Q162-R166 VanDerWaalsContact OE1-CZ 3.23Å
163	D	94	Very high	95.1	Very high	78 Å²	78	50.8 Å²	50.8	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-69.5	-46.4	178.5	-65.7	-22.7	0	0	0	111	Q159 R160 L161 L165 R166 L167	Q159-D163 WeakPolarHBondContact CG-OD2 3.43Å; Q159-D163 VanDerWaalsContact NE2-CG 3.34Å; Q159-D163 PolarHBondContact NE2-OD1 2.77Å; Q159-D163 PolarHBondContact NE2-OD2 3.26Å; Q159-D163 VanDerWaalsContact O-CG 3.24Å; Q159-D163 PolarHBondContact O-N 2.95Å; R160-D163 PolarHBondContact O-N 3.1Å; L161-D163 VanDerWaalsContact C-N 3.31Å; D163-L165 PolarHBondContact O-N 3.35Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-L167 WeakPolarHBondContact O-CB 3.37Å; D163-L167 PolarHBondContact O-N 3.21Å
164	N	96.8	Very high	95.3	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-47.7	177.3	-73.6	1.4	0	0	0	112.6	R160 L161 L167 R168 T580 S582 D587 V588	R160-N164 WeakPolarHBondContact O-CB 3.4Å; R160-N164 PolarHBondContact O-N 3.18Å; R160-N164 PolarHBondContact O-OD1 2.96Å; L161-N164 PolarHBondContact O-N 3.42Å; N164-L167 PolarHBondContact O-N 3.46Å; N164-R168 WeakPolarHBondContact O-CB 3.41Å; N164-R168 PolarHBondContact O-N 3.36Å; N164-T580 HydrophobicContact CB-CG2 4.21Å; N164-T580 WeakPolarHBondContact OD1-CB 3.31Å; N164-T580 WeakPolarHBondContact OD1-CG2 3.39Å; N164-S582 PolarHBondContact ND2-OG 3.41Å; N164-S582 VanDerWaalsContact ND2-OG 3.14Å; N164-D587 WeakPolarHBondContact CB-O 3.45Å; N164-D587 PolarHBondContact ND2-O 2.91Å; N164-V588 HydrophobicContact CB-CG1 4.3Å
165	L	97.6	Very high	95.6	Very high	46 Å²	46	45.5 Å²	45.5	24%	0.241	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-32.7	-179.2	-68.7	177.3	0	0	0	112.8	L156 L161 D163 A169 A590	L156-L165 HydrophobicContact CD2-CD1 3.7Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 3.19Å; D163-L165 PolarHBondContact O-N 3.35Å; L165-A169 PolarHBondContact O-N 3.46Å; L165-A590 HydrophobicContact CD1-CB 4.39Å
166	R	96.1	Very high	95.8	Very high	111 Å²	111	49.4 Å²	49.4	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-72.1	-41.5	173.7	-79.9	175.5	-173.6	69.3	-2.3	111.9	Q162 D163 R168 A169 S170	Q162-R166 WeakPolarHBondContact O-CB 3.2Å; Q162-R166 WeakPolarHBondContact O-CG 3.48Å; Q162-R166 PolarHBondContact O-N 3.31Å; Q162-R166 PolarHBondContact O-NH1 3.21Å; Q162-R166 VanDerWaalsContact OE1-CZ 3.23Å; D163-R166 PolarHBondContact O-N 3.38Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R166-A169 PolarHBondContact O-N 3.38Å; R166-S170 WeakPolarHBondContact O-CB 3.25Å; R166-S170 PolarHBondContact O-N 3.08Å; R166-S170 PolarHBondContact O-OG 2.94Å
167	L	97.2	Very high	96	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-51.4	173.8	-177.1	69.2	0	0	0	109.5	D163 N164 A169 S170 V171 P284 L287 L579 T580	D163-L167 WeakPolarHBondContact O-CB 3.37Å; D163-L167 PolarHBondContact O-N 3.21Å; N164-L167 PolarHBondContact O-N 3.46Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-A169 PolarHBondContact O-N 3.06Å; L167-S170 WeakPolarHBondContact CA-OG 3.25Å; L167-S170 PolarHBondContact O-N 3.38Å; L167-S170 PolarHBondContact O-OG 3.21Å; L167-V171 HydrophobicContact CD1-CG2 4.36Å; L167-V171 HydrophobicContact CG-CG2 4.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.48Å; L167-P284 HydrophobicContact CD1-CB 3.58Å; L167-P284 HydrophobicContact CD1-CG 4.36Å; L167-L287 HydrophobicContact CD1-CD2 4.15Å; L167-L287 HydrophobicContact CD2-CD2 3.56Å; L167-L579 HydrophobicContact CD2-CB 4.48Å; L167-T580 HydrophobicContact CD2-CG2 3.51Å
168	R	98.2	Very high	96.3	Very high	39 Å²	39	53.6 Å²	53.6	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-48.4	-54.6	173	179.3	-172.7	-171.7	99.6	8.8	111.9	N164 R166 S170 V171 V172 D573 I576 V588	N164-R168 WeakPolarHBondContact O-CB 3.41Å; N164-R168 PolarHBondContact O-N 3.36Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R168-S170 VanDerWaalsContact C-N 3.27Å; R168-S170 PolarHBondContact O-N 3.27Å; R168-V171 PolarHBondContact O-N 2.72Å; R168-V172 HydrophobicContact CG-CG2 4.42Å; R168-V172 WeakPolarHBondContact O-CB 3.23Å; R168-V172 VanDerWaalsContact O-CG2 3.29Å; R168-V172 WeakPolarHBondContact O-CG2 3.38Å; R168-V172 PolarHBondContact O-N 2.94Å; R168-D573 IonicContact CZ-OD1 3.57Å; R168-D573 IonicContact NH1-OD1 2.7Å; R168-D573 PolarHBondContact NH1-OD1 3.37Å; R168-D573 IonicContact NH2-OD1 3.59Å; R168-D573 PolarHBondContact NH2-OD1 3Å; R168-I576 HydrophobicContact CB-CD1 4.47Å; R168-I576 HydrophobicContact CB-CG1 4.24Å; R168-I576 HydrophobicContact CB-CG2 4.12Å; R168-I576 HydrophobicContact CG-CG1 4.15Å; R168-V588 PolarHBondContact NH1-O 3.01Å; R168-V588 VanDerWaalsContact NH1-O 3.08Å
169	A	98	Very high	96.7	Very high	61 Å²	61	53.6 Å²	53.6	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-38.1	-179.3	0	0	0	0	0	112.3	L165 R166 L167 K173	L165-A169 PolarHBondContact O-N 3.46Å; R166-A169 PolarHBondContact O-N 3.38Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-A169 PolarHBondContact O-N 3.06Å; A169-K173 VanDerWaalsContact O-CB 3.27Å; A169-K173 WeakPolarHBondContact O-CB 3.43Å; A169-K173 PolarHBondContact O-N 3.25Å
170	S	97.5	Very high	97.2	Very high	61 Å²	61	52.3 Å²	52.3	43%	0.427	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-42.3	177.8	74.6	0	0	0	0	113	R166 L167 R168 K173 A174	R166-S170 WeakPolarHBondContact O-CB 3.25Å; R166-S170 PolarHBondContact O-N 3.08Å; R166-S170 PolarHBondContact O-OG 2.94Å; L167-S170 WeakPolarHBondContact CA-OG 3.25Å; L167-S170 PolarHBondContact O-N 3.38Å; L167-S170 PolarHBondContact O-OG 3.21Å; R168-S170 VanDerWaalsContact C-N 3.27Å; R168-S170 PolarHBondContact O-N 3.27Å; S170-K173 PolarHBondContact O-N 3.11Å; S170-A174 PolarHBondContact O-N 3.43Å
171	V	98.4	Very high	97.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-49.5	177.7	170.4	0	0	0	0	109.9	L167 R168 K173 A174 M175 Y575 I576 L579	L167-V171 HydrophobicContact CD1-CG2 4.36Å; L167-V171 HydrophobicContact CG-CG2 4.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.48Å; R168-V171 PolarHBondContact O-N 2.72Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.66Å; V171-A174 WeakPolarHBondContact O-CB 3.45Å; V171-A174 PolarHBondContact O-N 3.36Å; V171-M175 HydrophobicContact CG1-CE 3.81Å; V171-M175 HydrophobicContact CG1-CG 4.42Å; V171-M175 HydrophobicContact CG1-SD 4.02Å; V171-M175 WeakPolarHBondContact O-CG 3.39Å; V171-M175 PolarHBondContact O-N 3.27Å; V171-Y575 HydrophobicContact CG1-CD1 4.43Å; V171-Y575 HydrophobicContact CG1-CE1 3.9Å; V171-I576 HydrophobicContact CB-CD1 3.92Å; V171-I576 HydrophobicContact CG1-CD1 3.9Å; V171-I576 HydrophobicContact CG2-CD1 4.12Å; V171-L579 HydrophobicContact CG2-CD1 4.3Å
172	V	98.5	Very high	97.7	Very high	14 Å²	14	59.1 Å²	59.1	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-42.9	177.3	172.6	0	0	0	0	111.2	R168 A174 M175 R176 I239 L572	R168-V172 HydrophobicContact CG-CG2 4.42Å; R168-V172 WeakPolarHBondContact O-CB 3.23Å; R168-V172 VanDerWaalsContact O-CG2 3.29Å; R168-V172 WeakPolarHBondContact O-CG2 3.38Å; R168-V172 PolarHBondContact O-N 2.94Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.87Å; V172-M175 PolarHBondContact O-N 2.76Å; V172-R176 VanDerWaalsContact CG1-NH1 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.42Å; V172-R176 PolarHBondContact O-N 3.42Å; V172-I239 HydrophobicContact CG1-CD1 4.27Å; V172-I239 HydrophobicContact CG1-CG1 4.24Å; V172-L572 HydrophobicContact CG2-CD1 3.95Å; V172-L572 HydrophobicContact CG2-CD2 3.48Å; V172-L572 VanDerWaalsContact CG2-CD2 3.48Å; V172-L572 HydrophobicContact CG2-CG 4.32Å
173	K	98.4	Very high	97.8	Very high	148 Å²	148	58.3 Å²	58.3	64%	0.643	29%	0.286	S	S	*	.	H	α-helix	trans	-59.5	-42.4	175.3	178.4	-179.6	176.3	179.3	0	111.8	A169 S170 V171 R177	A169-K173 VanDerWaalsContact O-CB 3.27Å; A169-K173 WeakPolarHBondContact O-CB 3.43Å; A169-K173 PolarHBondContact O-N 3.25Å; S170-K173 PolarHBondContact O-N 3.11Å; V171-K173 VanDerWaalsContact C-N 3.3Å; V171-K173 PolarHBondContact O-N 2.66Å; K173-R177 WeakPolarHBondContact O-CB 3.43Å; K173-R177 PolarHBondContact O-N 3.18Å; K173-R177 VanDerWaalsContact O-N 3.11Å
174	A	98.4	Very high	98	Very high	30 Å²	30	57 Å²	57	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-39.7	178.8	0	0	0	0	0	111.9	S170 V171 V172 R177 H178	S170-A174 PolarHBondContact O-N 3.43Å; V171-A174 WeakPolarHBondContact O-CB 3.45Å; V171-A174 PolarHBondContact O-N 3.36Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.87Å; A174-R177 PolarHBondContact O-N 3.14Å; A174-H178 WeakPolarHBondContact O-CB 3.2Å; A174-H178 PolarHBondContact O-N 2.96Å
175	M	98.7	Very high	98.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-52.7	173.5	-70.6	173.5	162.4	0	0	111.5	V171 V172 R177 H178 L179 V259 M278 S282 L570 L572 Y575	V171-M175 HydrophobicContact CG1-CE 3.81Å; V171-M175 HydrophobicContact CG1-CG 4.42Å; V171-M175 HydrophobicContact CG1-SD 4.02Å; V171-M175 WeakPolarHBondContact O-CG 3.39Å; V171-M175 PolarHBondContact O-N 3.27Å; V172-M175 PolarHBondContact O-N 2.76Å; M175-R177 VanDerWaalsContact C-N 3.33Å; M175-R177 PolarHBondContact O-N 3.29Å; M175-H178 PolarHBondContact O-N 3.21Å; M175-L179 WeakPolarHBondContact O-CB 3.45Å; M175-L179 WeakPolarHBondContact O-CG 3.43Å; M175-L179 PolarHBondContact O-N 2.86Å; M175-V259 HydrophobicContact SD-CG2 4.05Å; M175-M278 HydrophobicContact CB-CG 4.21Å; M175-M278 HydrophobicContact CB-SD 4.25Å; M175-M278 HydrophobicContact CE-CE 4.37Å; M175-M278 HydrophobicContact CG-CG 3.88Å; M175-M278 HydrophobicContact CG-SD 4.08Å; M175-M278 HydrophobicContact SD-SD 4.39Å; M175-S282 VanDerWaalsContact CG-CB 3.5Å; M175-S282 WeakPolarHBondContact CG-OG 3.4Å; M175-L570 HydrophobicContact CE-CD2 3.76Å; M175-L572 HydrophobicContact SD-CD1 4.22Å; M175-Y575 HydrophobicContact CE-CD1 3.77Å; M175-Y575 HydrophobicContact CE-CE1 3.46Å; M175-Y575 VanDerWaalsContact CE-CE1 3.46Å
176	R	98.6	Very high	98.1	Very high	82 Å²	82	58.3 Å²	58.3	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-53.1	-52.3	176.9	-72	-157	167.5	94.1	0.6	111.7	V172 H178 L179 E180 E187 Y237 I239	V172-R176 VanDerWaalsContact CG1-NH1 3.29Å; V172-R176 WeakPolarHBondContact O-CG 3.42Å; V172-R176 PolarHBondContact O-N 3.42Å; R176-H178 VanDerWaalsContact C-N 3.32Å; R176-H178 PolarHBondContact O-N 3.42Å; R176-L179 PolarHBondContact O-N 2.9Å; R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 WeakPolarHBondContact O-CG 3.31Å; R176-E180 PolarHBondContact O-N 3.25Å; R176-E187 IonicContact CZ-OE1 3.87Å; R176-E187 IonicContact CZ-OE2 2.72Å; R176-E187 IonicContact NE-OE1 2.63Å; R176-E187 PolarHBondContact NE-OE1 2.97Å; R176-E187 IonicContact NE-OE2 2.83Å; R176-E187 PolarHBondContact NE-OE2 3.03Å; R176-E187 IonicContact NH2-OE1 3.82Å; R176-E187 PolarHBondContact NH2-OE1 2.61Å; R176-E187 IonicContact NH2-OE2 3.98Å; R176-Y237 WeakPolarHBondContact CB-OH 3.21Å; R176-Y237 WeakPolarHBondContact CD-OH 3.32Å; R176-Y237 HydrophobicContact CG-CE2 4.07Å; R176-Y237 WeakPolarHBondContact CG-OH 3.39Å; R176-I239 VanDerWaalsContact NH2-CG1 3.32Å
177	R	98.3	Very high	98.2	Very high	163 Å²	163	55.8 Å²	55.8	62%	0.615	29%	0.294	S	S	*	.	H	α-helix	trans	-58.3	-45.7	-178.4	-169.7	-177.8	177.6	-152.4	-4.3	111.6	K173 A174 M175 D181	K173-R177 WeakPolarHBondContact O-CB 3.43Å; K173-R177 PolarHBondContact O-N 3.18Å; K173-R177 VanDerWaalsContact O-N 3.11Å; A174-R177 PolarHBondContact O-N 3.14Å; M175-R177 VanDerWaalsContact C-N 3.33Å; M175-R177 PolarHBondContact O-N 3.29Å; R177-D181 WeakPolarHBondContact CG-OD2 3.42Å; R177-D181 IonicContact NE-OD2 2.66Å; R177-D181 PolarHBondContact NE-OD2 3.44Å; R177-D181 WeakPolarHBondContact O-CB 3.44Å; R177-D181 PolarHBondContact O-N 2.75Å
178	H	98.6	Very high	98.2	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.065	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-46.5	179.9	-179.9	68.4	0	0	0	112.2	A174 M175 R176 E180 E182 C183 S277 N281	A174-H178 WeakPolarHBondContact O-CB 3.2Å; A174-H178 PolarHBondContact O-N 2.96Å; M175-H178 PolarHBondContact O-N 3.21Å; R176-H178 VanDerWaalsContact C-N 3.32Å; R176-H178 PolarHBondContact O-N 3.42Å; H178-E180 VanDerWaalsContact C-N 3.35Å; H178-E180 PolarHBondContact O-N 2.99Å; H178-E182 WeakPolarHBondContact O-CB 3.45Å; H178-E182 PolarHBondContact O-N 3.4Å; H178-C183 PolarHBondContact NE2-SG 2.75Å; H178-C183 PolarHBondContact O-N 2.71Å; H178-S277 PolarHBondContact CE1-OG 3.03Å; H178-S277 PolarHBondContact NE2-O 3.07Å; H178-S277 PolarHBondContact NE2-OG 2.93Å; H178-N281 HydrophobicContact CB-CB 4.07Å; H178-N281 PolarHBondContact CE1-ND2 3.47Å; H178-N281 WeakPolarHBondContact ND1-CB 3.32Å
179	L	98.7	Very high	98.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-43.6	179.9	-72	175	0	0	0	111.7	M175 R176 C183 G184 F185 Y237 V259 V274 M278	M175-L179 WeakPolarHBondContact O-CB 3.45Å; M175-L179 WeakPolarHBondContact O-CG 3.43Å; M175-L179 PolarHBondContact O-N 2.86Å; R176-L179 PolarHBondContact O-N 2.9Å; L179-C183 CarbonylContact O-C 3.48Å; L179-C183 WeakPolarHBondContact O-CA 3.49Å; L179-C183 WeakPolarHBondContact O-CB 3.39Å; L179-C183 PolarHBondContact O-N 3.2Å; L179-G184 PolarHBondContact O-N 2.79Å; L179-G184 VanDerWaalsContact O-N 3.08Å; L179-F185 HydrophobicContact CB-CB 4.07Å; L179-F185 HydrophobicContact CB-CD2 4.45Å; L179-F185 HydrophobicContact CB-CG 4.38Å; L179-F185 HydrophobicContact CD2-CD2 4Å; L179-F185 HydrophobicContact CD2-CE2 4.17Å; L179-F185 HydrophobicContact CD2-CG 4.33Å; L179-F185 WeakPolarHBondContact O-CB 3.33Å; L179-F185 PolarHBondContact O-N 3.39Å; L179-Y237 HydrophobicContact CB-CD1 4.42Å; L179-Y237 HydrophobicContact CB-CE1 4.41Å; L179-Y237 HydrophobicContact CD1-CD1 4.4Å; L179-Y237 HydrophobicContact CD1-CD2 3.63Å; L179-Y237 HydrophobicContact CD1-CE2 4.09Å; L179-Y237 HydrophobicContact CD1-CG 3.8Å; L179-V259 HydrophobicContact CD1-CG1 4.42Å; L179-V274 HydrophobicContact CD2-CG1 4.09Å; L179-M278 HydrophobicContact CD1-SD 3.82Å; L179-M278 HydrophobicContact CD2-CB 4.42Å; L179-M278 HydrophobicContact CD2-CG 4.42Å; L179-M278 HydrophobicContact CD2-SD 4.23Å; L179-M278 HydrophobicContact CG-CG 4.38Å; L179-M278 HydrophobicContact CG-SD 4.17Å
180	E	98.4	Very high	98.1	Very high	80 Å²	80	60 Å²	60	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-76.3	-56.5	-179.6	-67.6	174.2	-170.3	0	0	112.6	R176 H178 G184 Y237	R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 WeakPolarHBondContact O-CG 3.31Å; R176-E180 PolarHBondContact O-N 3.25Å; H178-E180 VanDerWaalsContact C-N 3.35Å; H178-E180 PolarHBondContact O-N 2.99Å; E180-G184 PolarHBondContact O-N 3.44Å; E180-Y237 HydrophobicContact CG-CE1 3.75Å; E180-Y237 PolarHBondContact OE1-OH 3.31Å
181	D	98.1	Very high	98.1	Very high	97 Å²	97	60.6 Å²	60.6	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-73.2	-36.7	-170.8	-63.3	-17.2	0	0	0	112	R177	R177-D181 WeakPolarHBondContact CG-OD2 3.42Å; R177-D181 IonicContact NE-OD2 2.66Å; R177-D181 PolarHBondContact NE-OD2 3.44Å; R177-D181 WeakPolarHBondContact O-CB 3.44Å; R177-D181 PolarHBondContact O-N 2.75Å
182	E	97.9	Very high	98	Very high	139 Å²	139	63.5 Å²	63.5	65%	0.65	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-30.2	-170.3	-52.3	-64	151.5	0	0	113.3	H178	H178-E182 WeakPolarHBondContact O-CB 3.45Å; H178-E182 PolarHBondContact O-N 3.4Å
183	C	97.9	Very high	97.8	Very high	20 Å²	20	67 Å²	67	14%	0.135	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-4.5	-176.1	-64.3	0	0	0	0	114.2	H178 L179 F185 R235	H178-C183 PolarHBondContact NE2-SG 2.75Å; H178-C183 PolarHBondContact O-N 2.71Å; L179-C183 CarbonylContact O-C 3.48Å; L179-C183 WeakPolarHBondContact O-CA 3.49Å; L179-C183 WeakPolarHBondContact O-CB 3.39Å; L179-C183 PolarHBondContact O-N 3.2Å; C183-F185 VanDerWaalsContact C-N 3.31Å; C183-F185 HydrophobicContact CB-CD2 3.53Å; C183-F185 HydrophobicContact CB-CE2 3.77Å; C183-F185 PolarHBondContact O-N 3.2Å; C183-R235 VanDerWaalsContact O-CD 3.27Å; C183-R235 WeakPolarHBondContact O-CD 3.41Å; C183-R235 PolarHBondContact O-NH1 3.48Å
184	G	97.5	Very high	97.7	Very high	52 Å²	52	61.4 Å²	61.4	54%	0.536	32%	0.322	S	S	.	.			trans	68.3	25	175.7	0	0	0	0	0	114.6	L179 E180	L179-G184 PolarHBondContact O-N 2.79Å; L179-G184 VanDerWaalsContact O-N 3.08Å; E180-G184 PolarHBondContact O-N 3.44Å
185	F	98.6	Very high	97.3	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.026	33%	0.325	C	S	.	.			trans	-78.7	154.2	174.5	-78.8	-102.4	0	0	0	111.9	L179 C183 R235 Y236 Y237 L261 L263 V274	L179-F185 HydrophobicContact CB-CB 4.07Å; L179-F185 HydrophobicContact CB-CD2 4.45Å; L179-F185 HydrophobicContact CB-CG 4.38Å; L179-F185 HydrophobicContact CD2-CD2 4Å; L179-F185 HydrophobicContact CD2-CE2 4.17Å; L179-F185 HydrophobicContact CD2-CG 4.33Å; L179-F185 WeakPolarHBondContact O-CB 3.33Å; L179-F185 PolarHBondContact O-N 3.39Å; C183-F185 VanDerWaalsContact C-N 3.31Å; C183-F185 HydrophobicContact CB-CD2 3.53Å; C183-F185 HydrophobicContact CB-CE2 3.77Å; C183-F185 PolarHBondContact O-N 3.2Å; F185-R235 HydrophobicContact CB-CB 4.43Å; F185-R235 HydrophobicContact CD1-CB 3.78Å; F185-R235 HydrophobicContact CD2-CB 4.2Å; F185-R235 HydrophobicContact CE1-CB 4.02Å; F185-R235 HydrophobicContact CE2-CB 4.42Å; F185-R235 HydrophobicContact CG-CB 3.89Å; F185-R235 HydrophobicContact CZ-CB 4.34Å; F185-Y236 VanDerWaalsContact CD1-C 3.49Å; F185-Y236 VanDerWaalsContact CD1-O 3.25Å; F185-Y236 WeakPolarHBondContact CD1-O 3.43Å; F185-Y236 WeakPolarHBondContact CE1-O 3.44Å; F185-Y237 HydrophobicContact CB-CD1 3.76Å; F185-Y237 HydrophobicContact CB-CE1 4.41Å; F185-L261 HydrophobicContact CE1-CB 4.08Å; F185-L263 HydrophobicContact CE1-CD1 4.21Å; F185-L263 HydrophobicContact CE1-CD2 4.44Å; F185-L263 HydrophobicContact CE1-CG 3.99Å; F185-L263 HydrophobicContact CE2-CD2 4.24Å; F185-L263 HydrophobicContact CZ-CD1 3.83Å; F185-L263 HydrophobicContact CZ-CD2 3.63Å; F185-L263 HydrophobicContact CZ-CG 3.62Å; F185-V274 HydrophobicContact CE2-CG1 3.69Å; F185-V274 HydrophobicContact CE2-CG2 4.35Å; F185-V274 HydrophobicContact CZ-CG1 3.76Å
186	V	98.2	Very high	96.8	Very high	77 Å²	77	70.5 Å²	70.5	47%	0.467	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129	173	-177.2	0	0	0	0	109.6	V188 R235 Y237	V186-V188 HydrophobicContact CG1-CG2 4.06Å; V186-V188 PolarHBondContact O-N 3.08Å; V186-R235 PolarHBondContact N-O 2.82Å; V186-Y237 PolarHBondContact O-N 3.38Å
187	E	98.3	Very high	96.1	Very high	57 Å²	57	68.1 Å²	68.1	27%	0.266	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.7	171.8	-161.2	169.6	-167.2	0	0	108.9	R176 Y237	R176-E187 IonicContact CZ-OE1 3.87Å; R176-E187 IonicContact CZ-OE2 2.72Å; R176-E187 IonicContact NE-OE1 2.63Å; R176-E187 PolarHBondContact NE-OE1 2.97Å; R176-E187 IonicContact NE-OE2 2.83Å; R176-E187 PolarHBondContact NE-OE2 3.03Å; R176-E187 IonicContact NH2-OE1 3.82Å; R176-E187 PolarHBondContact NH2-OE1 2.61Å; R176-E187 IonicContact NH2-OE2 3.98Å; E187-Y237 VanDerWaalsContact CA-O 3.28Å; E187-Y237 WeakPolarHBondContact CA-O 3.42Å; E187-Y237 HydrophobicContact CB-CD1 4.1Å; E187-Y237 HydrophobicContact CB-CE1 3.48Å; E187-Y237 VanDerWaalsContact CB-CE1 3.48Å; E187-Y237 HydrophobicContact CB-CE2 4.22Å; E187-Y237 HydrophobicContact CG-CD2 4.5Å; E187-Y237 HydrophobicContact CG-CE1 4.15Å; E187-Y237 HydrophobicContact CG-CE2 3.99Å; E187-Y237 VanDerWaalsContact N-CE1 3.31Å; E187-Y237 PolarHBondContact OE2-OH 3.31Å
188	V	98	Very high	95	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.188	33%	0.328	C	S	.	.			trans	-124.5	124.3	174.5	-174.1	0	0	0	0	109.3	V186 L228 F233 Y236 Y237 Q238	V186-V188 HydrophobicContact CG1-CG2 4.06Å; V186-V188 PolarHBondContact O-N 3.08Å; V188-L228 HydrophobicContact CB-CD1 4.16Å; V188-L228 HydrophobicContact CG1-CD1 4.07Å; V188-L228 HydrophobicContact CG1-CD2 4.34Å; V188-F233 HydrophobicContact CG2-CD1 4.08Å; V188-F233 HydrophobicContact CG2-CE1 4.07Å; V188-Y236 HydrophobicContact CB-CD2 3.69Å; V188-Y236 HydrophobicContact CB-CE2 3.69Å; V188-Y236 HydrophobicContact CG2-CD2 4.03Å; V188-Y236 WeakPolarHBondContact O-CE2 3.46Å; V188-Y237 PolarHBondContact N-O 2.98Å; V188-Q238 WeakPolarHBondContact O-CB 3.18Å; V188-Q238 WeakPolarHBondContact O-CG 3.32Å; V188-Q238 PolarHBondContact O-OE1 3.17Å
189	E	96.8	Very high	93.7	Very high	166 Å²	166	63.3 Å²	63.3	78%	0.776	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-82.3	127.7	174.9	-68	-170.7	179.2	0	0	110.7
190	T	96.8	Very high	92.3	Very high	22 Å²	22	65.4 Å²	65.4	14%	0.135	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-101.1	152.3	178.1	59.9	0	0	0	0	112.3	P221 F224 L228 Y236 Q238	T190-P221 HydrophobicContact CG2-CB 4.48Å; T190-P221 WeakPolarHBondContact OG1-CB 3.5Å; T190-F224 HydrophobicContact CG2-CB 3.56Å; T190-F224 HydrophobicContact CG2-CD2 4.46Å; T190-F224 HydrophobicContact CG2-CG 4.19Å; T190-L228 HydrophobicContact CG2-CD1 4.35Å; T190-Y236 HydrophobicContact CG2-CE2 4.33Å; T190-Q238 PolarHBondContact OG1-OE1 3.05Å
191	P	96.5	Very high	91.4	Very high	74 Å²	74	63 Å²	63	48%	0.481	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.2	-178.2	-25.1	34.5	0	0	0	114.9	F224	P191-F224 HydrophobicContact CB-CE2 4.19Å; P191-F224 HydrophobicContact CB-CZ 4.01Å; P191-F224 HydrophobicContact CG-CE1 4.29Å; P191-F224 HydrophobicContact CG-CE2 4.3Å; P191-F224 HydrophobicContact CG-CZ 3.87Å
192	T	96.1	Very high	90.9	Very high	62 Å²	62	64.3 Å²	64.3	38%	0.38	37%	0.371	S	S	.	.	S	Bend	trans	-92	-22.6	176.7	-58.1	0	0	0	0	114.1	L217 P218 Y243	T192-L217 HydrophobicContact CG2-CD2 3.77Å; T192-P218 WeakPolarHBondContact O-CD 3.2Å; T192-Y243 HydrophobicContact CG2-CE2 3.83Å
193	L	96	Very high	90.5	Very high	87 Å²	87	59.1 Å²	59.1	46%	0.455	35%	0.347	S	S	.	.	S	Bend	trans	-94.9	112.6	174.4	-61.3	-178.8	0	0	0	108	V206 F215 L217	L193-V206 HydrophobicContact CD2-CB 4.1Å; L193-V206 HydrophobicContact CD2-CG1 3.92Å; L193-V206 HydrophobicContact CD2-CG2 3.99Å; L193-F215 HydrophobicContact CB-CB 4.09Å; L193-F215 HydrophobicContact CB-CD1 3.98Å; L193-F215 HydrophobicContact CB-CD2 4.21Å; L193-F215 HydrophobicContact CB-CE1 4.46Å; L193-F215 HydrophobicContact CB-CG 3.84Å; L193-F215 HydrophobicContact CD1-CD2 4.15Å; L193-F215 HydrophobicContact CD1-CE2 4.34Å; L193-F215 HydrophobicContact CD2-CB 4.2Å; L193-L217 HydrophobicContact CD2-CD2 4.39Å
194	F	94.5	Very high	90.4	Very high	30 Å²	30	61.4 Å²	61.4	13%	0.132	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-133.3	176.9	-174.6	-162.6	-124.9	0	0	0	113	F215 C216 Q223 F224 H553	F194-F215 CarbonylContact O-C 3.48Å; F194-F215 WeakPolarHBondContact O-CA 3.21Å; F194-C216 PolarHBondContact N-O 3.07Å; F194-C216 PolarHBondContact O-N 3.49Å; F194-Q223 HydrophobicContact CE1-CB 4.32Å; F194-Q223 HydrophobicContact CE1-CG 4.41Å; F194-Q223 HydrophobicContact CZ-CB 4.25Å; F194-F224 HydrophobicContact CB-CE2 4.45Å; F194-F224 HydrophobicContact CD2-CE1 4.07Å; F194-F224 AromaticContact CD2-CE2 3.53Å; F194-F224 HydrophobicContact CD2-CE2 3.53Å; F194-F224 AromaticContact CD2-CZ 3.17Å; F194-F224 HydrophobicContact CD2-CZ 3.17Å; F194-F224 AromaticContact CE2-CE1 3.7Å; F194-F224 HydrophobicContact CE2-CE1 3.7Å; F194-F224 AromaticContact CE2-CE2 3.82Å; F194-F224 HydrophobicContact CE2-CE2 3.82Å; F194-F224 AromaticContact CE2-CZ 3.28Å; F194-F224 HydrophobicContact CE2-CZ 3.28Å; F194-F224 AromaticContact CG-CE2 3.92Å; F194-F224 HydrophobicContact CG-CE2 3.92Å; F194-F224 HydrophobicContact CG-CZ 4.05Å; F194-F224 HydrophobicContact CZ-CE2 4.45Å; F194-F224 HydrophobicContact CZ-CZ 4.22Å; F194-H553 AromaticContact CZ-NE2 3.77Å
195	C	91.3	Very high	90.2	Very high	48 Å²	48	64.1 Å²	64.1	32%	0.324	36%	0.356	S	S	.	.			trans	-83.1	165.7	170.1	70	0	0	0	0	111.1
196	R	87.6	Confident	90.1	Very high	173 Å²	173	65.7 Å²	65.7	65%	0.653	37%	0.366	S	S	*	.			trans	-62.8	138.9	175.6	171.7	159.7	-172.2	-145.8	0.4	111.4	E203	R196-E203 WeakPolarHBondContact CA-OE1 3.46Å; R196-E203 VanDerWaalsContact CG-OE2 3.26Å; R196-E203 WeakPolarHBondContact CG-OE2 3.41Å; R196-E203 IonicContact NE-OE2 3.81Å
197	T	83.5	Confident	90	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.202	36%	0.358	C	S	.	.			trans	-107.4	119.9	173.7	-56.7	0	0	0	0	110.6	E203 Q223 F491	T197-E203 PolarHBondContact N-OE1 3.01Å; T197-Q223 PolarHBondContact OG1-NE2 3.5Å; T197-F491 HydrophobicContact CG2-CZ 4.38Å
198	P	76.1	Confident	89.8	Confident	20 Å²	20	62.5 Å²	62.5	13%	0.13	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	154.7	173	-22.5	33.8	0	0	0	113	G200 E546 S550 L551	P198-G200 PolarHBondContact O-N 2.96Å; P198-G200 VanDerWaalsContact O-N 3.11Å; P198-E546 WeakPolarHBondContact CB-OE2 3.42Å; P198-S550 WeakPolarHBondContact CD-OG 3.3Å; P198-S550 VanDerWaalsContact CG-OG 3.29Å; P198-S550 WeakPolarHBondContact CG-OG 3.35Å; P198-L551 HydrophobicContact CG-CD1 4.11Å; P198-L551 HydrophobicContact CG-CG 4.3Å
199	G	70.3	Confident	89.7	Confident	55 Å²	55	66.1 Å²	66.1	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	5.5	176.5	0	0	0	0	0	117.1	E546	G199-E546 PolarHBondContact N-OE1 2.93Å
200	G	70.8	Confident	89.6	Confident	44 Å²	44	63.6 Å²	63.6	45%	0.454	35%	0.354	S	S	.	.			trans	-86.5	-175.4	-178.5	0	0	0	0	0	115.1	P198	P198-G200 PolarHBondContact O-N 2.96Å; P198-G200 VanDerWaalsContact O-N 3.11Å
201	A	78.7	Confident	89.4	Confident	31 Å²	31	66.2 Å²	66.2	26%	0.256	38%	0.378	S	S	.	.	S	Bend	trans	-64.5	-176.3	167.5	0	0	0	0	0	111	Q219 R244 E246	A201-Q219 PolarHBondContact O-NE2 3.19Å; A201-R244 HydrophobicContact CB-CB 4.4Å; A201-R244 HydrophobicContact CB-CG 3.97Å; A201-E246 WeakPolarHBondContact CB-OE1 3.23Å
202	Q	87.2	Confident	89.2	Confident	124 Å²	124	66 Å²	66	58%	0.579	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-73.5	137.8	169.3	-165.8	173.6	-28.1	0	0	110.9	Q219 D245	Q202-Q219 VanDerWaalsContact C-NE2 3.26Å; Q202-Q219 PolarHBondContact O-NE2 3.31Å; Q202-D245 HydrophobicContact CB-CB 4.07Å; Q202-D245 WeakPolarHBondContact CB-O 3.39Å; Q202-D245 HydrophobicContact CG-CB 3.91Å; Q202-D245 PolarHBondContact NE2-OD2 3.01Å; Q202-D245 PolarHBondContact O-N 3.04Å
203	E	90.9	Very high	89.1	Confident	30 Å²	30	68.7 Å²	68.7	14%	0.14	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-102.9	143.9	-173.8	-62	164.3	132.3	0	0	111.4	R196 T197 C216 Q219	R196-E203 WeakPolarHBondContact CA-OE1 3.46Å; R196-E203 VanDerWaalsContact CG-OE2 3.26Å; R196-E203 WeakPolarHBondContact CG-OE2 3.41Å; R196-E203 IonicContact NE-OE2 3.81Å; T197-E203 PolarHBondContact N-OE1 3.01Å; E203-C216 HydrophobicContact CB-CB 4.29Å; E203-Q219 HydrophobicContact CG-CG 4.39Å
204	F	94.1	Very high	89.1	Confident	68 Å²	68	68.8 Å²	68.8	30%	0.298	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-80	129.6	165.1	-73.2	-76.6	0	0	0	110.2	C216 L217 R244 D245 P254	F204-C216 WeakPolarHBondContact O-CA 3.46Å; F204-L217 HydrophobicContact CB-CB 4.25Å; F204-L217 HydrophobicContact CB-CD1 3.86Å; F204-L217 HydrophobicContact CB-CG 4.13Å; F204-L217 PolarHBondContact O-N 3.05Å; F204-R244 VanDerWaalsContact CE2-C 3.44Å; F204-R244 VanDerWaalsContact CE2-O 3.32Å; F204-R244 WeakPolarHBondContact CE2-O 3.31Å; F204-D245 HydrophobicContact CD1-CB 4.11Å; F204-D245 HydrophobicContact CD2-CB 4.04Å; F204-D245 HydrophobicContact CE1-CB 3.98Å; F204-D245 WeakPolarHBondContact CE1-OD1 3.25Å; F204-D245 HydrophobicContact CE2-CB 3.94Å; F204-D245 HydrophobicContact CG-CB 4.14Å; F204-D245 HydrophobicContact CZ-CB 3.9Å; F204-P254 HydrophobicContact CE2-CB 3.99Å; F204-P254 HydrophobicContact CZ-CB 3.99Å
205	L	94.4	Very high	89.2	Confident	108 Å²	108	71.5 Å²	71.5	57%	0.565	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	140.7	175.8	-60.2	-179.8	0	0	0	111.6	F214 F215	L205-F214 HydrophobicContact CB-CB 4.44Å; L205-F214 HydrophobicContact CB-CD1 4.18Å; L205-F214 HydrophobicContact CD2-CB 4.3Å; L205-F215 CarbonylContact C-O 3.6Å; L205-F215 WeakPolarHBondContact CA-O 3.41Å
206	V	95.9	Very high	89.4	Confident	40 Å²	40	69.5 Å²	69.5	24%	0.242	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121	171.7	-177.3	0	0	0	0	108.6	L193 F214 F215 L217	L193-V206 HydrophobicContact CD2-CB 4.1Å; L193-V206 HydrophobicContact CD2-CG1 3.92Å; L193-V206 HydrophobicContact CD2-CG2 3.99Å; V206-F214 WeakPolarHBondContact O-CA 3.5Å; V206-F215 HydrophobicContact CB-CB 4.17Å; V206-F215 PolarHBondContact N-O 3.48Å; V206-F215 PolarHBondContact O-N 2.81Å; V206-L217 HydrophobicContact CG2-CD1 4.49Å; V206-L217 HydrophobicContact CG2-CD2 3.52Å; V206-L217 HydrophobicContact CG2-CG 3.77Å
207	P	95.3	Very high	89.8	Confident	44 Å²	44	62.7 Å²	62.7	29%	0.286	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	154.6	-174	33.2	-38.3	0	0	0	113.2	F214 Y616 I618	P207-F214 HydrophobicContact CB-CD1 4.14Å; P207-F214 HydrophobicContact CB-CE1 3.99Å; P207-Y616 HydrophobicContact CB-CD1 3.9Å; P207-Y616 HydrophobicContact CB-CG 3.92Å; P207-Y616 HydrophobicContact CG-CD1 4Å; P207-Y616 HydrophobicContact CG-CD2 4.2Å; P207-Y616 HydrophobicContact CG-CE1 4.31Å; P207-Y616 HydrophobicContact CG-CE2 4.49Å; P207-Y616 HydrophobicContact CG-CG 3.96Å; P207-I618 HydrophobicContact CB-CD1 3.63Å; P207-I618 HydrophobicContact CG-CD1 4.3Å
208	T	95.4	Very high	90.3	Very high	23 Å²	23	62 Å²	62	14%	0.141	36%	0.364	C	S	.	.			trans	-121.7	169.6	176.2	78.3	0	0	0	0	110.9	E210 K213 F215 Y616	T208-E210 PolarHBondContact O-N 2.89Å; T208-E210 PolarHBondContact OG1-N 3.28Å; T208-E210 PolarHBondContact OG1-O 2.9Å; T208-K213 WeakPolarHBondContact CB-O 3.41Å; T208-K213 WeakPolarHBondContact CG2-O 3.49Å; T208-K213 PolarHBondContact OG1-O 3.43Å; T208-F215 HydrophobicContact CG2-CD2 3.6Å; T208-F215 HydrophobicContact CG2-CE2 3.64Å; T208-F215 HydrophobicContact CG2-CG 4.5Å; T208-Y616 WeakPolarHBondContact O-CA 3.02Å; T208-Y616 WeakPolarHBondContact O-CD1 3.35Å
209	H	94.6	Very high	91.1	Very high	107 Å²	107	62 Å²	62	50%	0.495	36%	0.362	S	S	.	.	S	Bend	trans	-76	-3.5	174.4	-55.4	161.2	0	0	0	112.9	R615 Y616	H209-R615 PolarHBondContact CD2-O 3.46Å; H209-R615 PolarHBondContact NE2-NE 3.32Å; H209-Y616 AromaticContact CD2-CD1 3.85Å; H209-Y616 AromaticContact CD2-CE1 3.72Å; H209-Y616 AromaticContact NE2-CE1 3.98Å
210	E	95.2	Very high	92.2	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	35%	0.348	S	S	.	.	S	Bend	trans	-95.2	124.2	177.6	-68.5	-177.6	-107.8	0	0	109.8	T208 G212 K213	T208-E210 PolarHBondContact O-N 2.89Å; T208-E210 PolarHBondContact OG1-N 3.28Å; T208-E210 PolarHBondContact OG1-O 2.9Å; E210-G212 PolarHBondContact O-N 3.08Å; E210-K213 HydrophobicContact CB-CB 4.05Å; E210-K213 HydrophobicContact CB-CD 3.95Å; E210-K213 HydrophobicContact CB-CG 4.23Å; E210-K213 PolarHBondContact O-N 3.34Å; E210-K213 VanDerWaalsContact O-N 3.1Å; E210-K213 WeakPolarHBondContact OE2-CD 3.47Å; E210-K213 WeakPolarHBondContact OE2-CE 3.41Å; E210-K213 IonicContact OE2-NZ 3.83Å; E210-K213 PolarHBondContact OE2-NZ 3.15Å
211	A	94	Very high	93.3	Very high	77 Å²	77	59.3 Å²	59.3	64%	0.636	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	126.3	-179.8	0	0	0	0	0	111.5	K213 C617	A211-K213 VanDerWaalsContact C-N 3.29Å; A211-K213 PolarHBondContact O-N 3.2Å; A211-C617 HydrophobicContact CB-CB 3.99Å
212	G	91.6	Very high	94	Very high	71 Å²	71	58.6 Å²	58.6	73%	0.732	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	2.8	178.1	0	0	0	0	0	115.7	E210	E210-G212 PolarHBondContact O-N 3.08Å
213	K	94.2	Very high	94.4	Very high	117 Å²	117	53 Å²	53	51%	0.509	29%	0.293	S	S	.	.			trans	-109.3	132.9	178.3	-64.1	-171.9	-175.1	171.6	0	111.8	T208 E210 A211	T208-K213 WeakPolarHBondContact CB-O 3.41Å; T208-K213 WeakPolarHBondContact CG2-O 3.49Å; T208-K213 PolarHBondContact OG1-O 3.43Å; E210-K213 HydrophobicContact CB-CB 4.05Å; E210-K213 HydrophobicContact CB-CD 3.95Å; E210-K213 HydrophobicContact CB-CG 4.23Å; E210-K213 PolarHBondContact O-N 3.34Å; E210-K213 VanDerWaalsContact O-N 3.1Å; E210-K213 WeakPolarHBondContact OE2-CD 3.47Å; E210-K213 WeakPolarHBondContact OE2-CE 3.41Å; E210-K213 IonicContact OE2-NZ 3.83Å; E210-K213 PolarHBondContact OE2-NZ 3.15Å; A211-K213 VanDerWaalsContact C-N 3.29Å; A211-K213 PolarHBondContact O-N 3.2Å
214	F	95.4	Very high	94.6	Very high	89 Å²	89	53.3 Å²	53.3	39%	0.39	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.7	-177.8	-63	-96.5	0	0	0	109.5	L205 V206 P207 I618	L205-F214 HydrophobicContact CB-CB 4.44Å; L205-F214 HydrophobicContact CB-CD1 4.18Å; L205-F214 HydrophobicContact CD2-CB 4.3Å; V206-F214 WeakPolarHBondContact O-CA 3.5Å; P207-F214 HydrophobicContact CB-CD1 4.14Å; P207-F214 HydrophobicContact CB-CE1 3.99Å; F214-I618 HydrophobicContact CE1-CD1 4.16Å
215	F	96.2	Very high	94.8	Very high	87 Å²	87	50.2 Å²	50.2	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	158.8	158.3	-64.7	-73.2	0	0	0	109.5	L193 F194 L205 V206 T208	L193-F215 HydrophobicContact CB-CB 4.09Å; L193-F215 HydrophobicContact CB-CD1 3.98Å; L193-F215 HydrophobicContact CB-CD2 4.21Å; L193-F215 HydrophobicContact CB-CE1 4.46Å; L193-F215 HydrophobicContact CB-CG 3.84Å; L193-F215 HydrophobicContact CD1-CD2 4.15Å; L193-F215 HydrophobicContact CD1-CE2 4.34Å; L193-F215 HydrophobicContact CD2-CB 4.2Å; F194-F215 CarbonylContact O-C 3.48Å; F194-F215 WeakPolarHBondContact O-CA 3.21Å; L205-F215 CarbonylContact C-O 3.6Å; L205-F215 WeakPolarHBondContact CA-O 3.41Å; V206-F215 HydrophobicContact CB-CB 4.17Å; V206-F215 PolarHBondContact N-O 3.48Å; V206-F215 PolarHBondContact O-N 2.81Å; T208-F215 HydrophobicContact CG2-CD2 3.6Å; T208-F215 HydrophobicContact CG2-CE2 3.64Å; T208-F215 HydrophobicContact CG2-CG 4.5Å
216	C	95.3	Very high	94.8	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.7	169.3	-60.8	0	0	0	0	108.6	F194 E203 F204	F194-C216 PolarHBondContact N-O 3.07Å; F194-C216 PolarHBondContact O-N 3.49Å; E203-C216 HydrophobicContact CB-CB 4.29Å; F204-C216 WeakPolarHBondContact O-CA 3.46Å
217	L	95.8	Very high	94.9	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.162	25%	0.254	C	S	.	.			trans	-73.9	138	168.7	-63.3	-174.6	0	0	0	109.8	T192 L193 F204 V206 Y243	T192-L217 HydrophobicContact CG2-CD2 3.77Å; L193-L217 HydrophobicContact CD2-CD2 4.39Å; F204-L217 HydrophobicContact CB-CB 4.25Å; F204-L217 HydrophobicContact CB-CD1 3.86Å; F204-L217 HydrophobicContact CB-CG 4.13Å; F204-L217 PolarHBondContact O-N 3.05Å; V206-L217 HydrophobicContact CG2-CD1 4.49Å; V206-L217 HydrophobicContact CG2-CD2 3.52Å; V206-L217 HydrophobicContact CG2-CG 3.77Å; L217-Y243 HydrophobicContact CB-CD2 3.71Å; L217-Y243 HydrophobicContact CB-CE2 4.45Å; L217-Y243 HydrophobicContact CB-CG 3.83Å; L217-Y243 HydrophobicContact CD1-CD1 3.87Å; L217-Y243 HydrophobicContact CD1-CD2 4.22Å; L217-Y243 HydrophobicContact CD1-CE1 4.26Å; L217-Y243 HydrophobicContact CD1-CG 3.83Å; L217-Y243 HydrophobicContact CG-CD2 4.44Å; L217-Y243 HydrophobicContact CG-CG 4.43Å
218	P	94	Very high	95	Very high	18 Å²	18	44.6 Å²	44.6	12%	0.117	25%	0.247	C	C	.	.			trans	-71.8	134.1	-174.5	28.3	-37	0	0	0	111.7	T192 S220 C242 Y243	T192-P218 WeakPolarHBondContact O-CD 3.2Å; P218-S220 VanDerWaalsContact C-N 3.32Å; P218-C242 WeakPolarHBondContact O-CA 3.34Å; P218-Y243 HydrophobicContact CG-CD2 4.4Å; P218-Y243 PolarHBondContact O-N 3.44Å
219	Q	93.6	Very high	95.2	Very high	19 Å²	19	43.6 Å²	43.6	9%	0.089	24%	0.241	C	C	.	.	S	Bend	trans	-80.8	-19.7	172.4	-63.4	174.3	-8.9	0	0	113.1	A201 Q202 E203 C242 Y243 R244	A201-Q219 PolarHBondContact O-NE2 3.19Å; Q202-Q219 VanDerWaalsContact C-NE2 3.26Å; Q202-Q219 PolarHBondContact O-NE2 3.31Å; E203-Q219 HydrophobicContact CG-CG 4.39Å; Q219-C242 WeakPolarHBondContact O-CB 3.49Å; Q219-Y243 WeakPolarHBondContact CA-O 3.2Å; Q219-Y243 VanDerWaalsContact CG-O 3.25Å; Q219-Y243 WeakPolarHBondContact CG-O 3.26Å; Q219-R244 HydrophobicContact CB-CG 4.2Å; Q219-R244 HydrophobicContact CG-CG 4.07Å
220	S	93.3	Very high	95.3	Very high	40 Å²	40	40.3 Å²	40.3	28%	0.28	23%	0.228	S	C	.	.	S	Bend	trans	-169.5	158.3	171.9	58.2	0	0	0	0	107.8	P218 Q222	P218-S220 VanDerWaalsContact C-N 3.32Å; S220-Q222 PolarHBondContact O-N 2.79Å; S220-Q222 WeakPolarHBondContact OG-CB 3.25Å
221	P	94.9	Very high	95.4	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.026	23%	0.231	C	C	.	.	S	Bend	trans	-77	28.8	174.5	33.9	-36.7	0	0	0	112.6	T190 Q223 F224 K225 A240 D260	T190-P221 HydrophobicContact CG2-CB 4.48Å; T190-P221 WeakPolarHBondContact OG1-CB 3.5Å; P221-Q223 PolarHBondContact O-N 3.17Å; P221-F224 PolarHBondContact O-N 2.84Å; P221-F224 VanDerWaalsContact O-N 3.15Å; P221-K225 WeakPolarHBondContact O-CG 3.45Å; P221-K225 PolarHBondContact O-N 2.7Å; P221-A240 HydrophobicContact CG-CB 3.91Å; P221-D260 HydrophobicContact CG-CB 3.75Å; P221-D260 VanDerWaalsContact CG-CG 3.41Å
222	Q	93.2	Very high	95.5	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-42	-165.7	-178	61	34.6	0	0	114.4	S220 Q226 F491 R529	S220-Q222 PolarHBondContact O-N 2.79Å; S220-Q222 WeakPolarHBondContact OG-CB 3.25Å; Q222-Q226 VanDerWaalsContact NE2-NE2 3.11Å; Q222-Q226 WeakPolarHBondContact O-CG 3.35Å; Q222-Q226 PolarHBondContact O-NE2 3.39Å; Q222-F491 HydrophobicContact CG-CD2 3.62Å; Q222-F491 HydrophobicContact CG-CE2 3.86Å; Q222-R529 VanDerWaalsContact NE2-CZ 3.27Å; Q222-R529 VanDerWaalsContact NE2-NE 3.18Å
223	Q	94.9	Very high	95.8	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-76.1	-43.3	178.2	-61.9	-172.4	40.4	0	0	111.1	F194 T197 P221 K225 Q226 L227 F491 H553 M554	F194-Q223 HydrophobicContact CE1-CB 4.32Å; F194-Q223 HydrophobicContact CE1-CG 4.41Å; F194-Q223 HydrophobicContact CZ-CB 4.25Å; T197-Q223 PolarHBondContact OG1-NE2 3.5Å; P221-Q223 PolarHBondContact O-N 3.17Å; Q223-K225 PolarHBondContact O-N 3.02Å; Q223-Q226 PolarHBondContact O-N 3.07Å; Q223-L227 WeakPolarHBondContact O-CG 3.16Å; Q223-L227 PolarHBondContact O-N 3.19Å; Q223-F491 HydrophobicContact CG-CE2 4.42Å; Q223-F491 HydrophobicContact CG-CZ 4.17Å; Q223-H553 PolarHBondContact OE1-CE1 3.17Å; Q223-H553 PolarHBondContact OE1-NE2 2.9Å; Q223-M554 HydrophobicContact CG-SD 4.37Å
224	F	96.4	Very high	95.9	Very high	38 Å²	38	36.2 Å²	36.2	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-41.4	-179	-71.9	-56.7	0	0	0	112.9	T190 P191 F194 P221 Q226 L227 L228	T190-F224 HydrophobicContact CG2-CB 3.56Å; T190-F224 HydrophobicContact CG2-CD2 4.46Å; T190-F224 HydrophobicContact CG2-CG 4.19Å; P191-F224 HydrophobicContact CB-CE2 4.19Å; P191-F224 HydrophobicContact CB-CZ 4.01Å; P191-F224 HydrophobicContact CG-CE1 4.29Å; P191-F224 HydrophobicContact CG-CE2 4.3Å; P191-F224 HydrophobicContact CG-CZ 3.87Å; F194-F224 HydrophobicContact CB-CE2 4.45Å; F194-F224 HydrophobicContact CD2-CE1 4.07Å; F194-F224 AromaticContact CD2-CE2 3.53Å; F194-F224 HydrophobicContact CD2-CE2 3.53Å; F194-F224 AromaticContact CD2-CZ 3.17Å; F194-F224 HydrophobicContact CD2-CZ 3.17Å; F194-F224 AromaticContact CE2-CE1 3.7Å; F194-F224 HydrophobicContact CE2-CE1 3.7Å; F194-F224 AromaticContact CE2-CE2 3.82Å; F194-F224 HydrophobicContact CE2-CE2 3.82Å; F194-F224 AromaticContact CE2-CZ 3.28Å; F194-F224 HydrophobicContact CE2-CZ 3.28Å; F194-F224 AromaticContact CG-CE2 3.92Å; F194-F224 HydrophobicContact CG-CE2 3.92Å; F194-F224 HydrophobicContact CG-CZ 4.05Å; F194-F224 HydrophobicContact CZ-CE2 4.45Å; F194-F224 HydrophobicContact CZ-CZ 4.22Å; P221-F224 PolarHBondContact O-N 2.84Å; P221-F224 VanDerWaalsContact O-N 3.15Å; F224-Q226 VanDerWaalsContact C-N 3.3Å; F224-Q226 PolarHBondContact O-N 2.87Å; F224-L227 HydrophobicContact CD1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 2.71Å; F224-L228 WeakPolarHBondContact O-CG 3.38Å; F224-L228 PolarHBondContact O-N 3.24Å
225	K	96.3	Very high	96	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-34.7	178.5	70.5	-175	-179.3	-175.5	0	112.7	P221 Q223 L228 M229 Y236 D260 E262	P221-K225 WeakPolarHBondContact O-CG 3.45Å; P221-K225 PolarHBondContact O-N 2.7Å; Q223-K225 PolarHBondContact O-N 3.02Å; K225-L228 PolarHBondContact O-N 3.31Å; K225-M229 WeakPolarHBondContact O-CE 3.41Å; K225-M229 PolarHBondContact O-N 2.98Å; K225-Y236 HydrophobicContact CB-CD1 3.67Å; K225-Y236 HydrophobicContact CB-CE1 3.42Å; K225-Y236 VanDerWaalsContact CB-CE1 3.42Å; K225-Y236 HydrophobicContact CD-CE1 4.41Å; K225-D260 IonicContact NZ-OD1 2.92Å; K225-D260 PolarHBondContact NZ-OD1 3.38Å; K225-E262 HydrophobicContact CB-CB 4.03Å; K225-E262 HydrophobicContact CB-CG 4.49Å; K225-E262 HydrophobicContact CD-CB 4.21Å; K225-E262 VanDerWaalsContact CD-OE2 3.3Å; K225-E262 WeakPolarHBondContact CD-OE2 3.5Å; K225-E262 WeakPolarHBondContact CE-OE2 3.4Å; K225-E262 HydrophobicContact CG-CB 4.15Å; K225-E262 HydrophobicContact CG-CG 4.27Å; K225-E262 WeakPolarHBondContact CG-OE2 3.25Å; K225-E262 IonicContact NZ-OE2 3.16Å
226	Q	96.1	Very high	96.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-43.5	171.9	-67.4	178.9	73.6	0	0	111.7	Q222 Q223 F224 L228 M229 V230 R529 H565	Q222-Q226 VanDerWaalsContact NE2-NE2 3.11Å; Q222-Q226 WeakPolarHBondContact O-CG 3.35Å; Q222-Q226 PolarHBondContact O-NE2 3.39Å; Q223-Q226 PolarHBondContact O-N 3.07Å; F224-Q226 VanDerWaalsContact C-N 3.3Å; F224-Q226 PolarHBondContact O-N 2.87Å; Q226-L228 PolarHBondContact O-N 3.18Å; Q226-M229 VanDerWaalsContact O-CB 3.29Å; Q226-M229 WeakPolarHBondContact O-CB 3.3Å; Q226-M229 PolarHBondContact O-N 2.83Å; Q226-V230 PolarHBondContact O-N 3.28Å; Q226-R529 HydrophobicContact CG-CG 4.11Å; Q226-H565 WeakPolarHBondContact CG-NE2 3.37Å
227	L	97.4	Very high	96.2	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-32.9	175.6	-68.4	173.6	0	0	0	112.4	Q223 F224 M229 V230 A231 A557	Q223-L227 WeakPolarHBondContact O-CG 3.16Å; Q223-L227 PolarHBondContact O-N 3.19Å; F224-L227 HydrophobicContact CD1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 2.71Å; L227-M229 VanDerWaalsContact C-N 3.3Å; L227-M229 PolarHBondContact O-N 3.32Å; L227-V230 WeakPolarHBondContact O-CB 3.45Å; L227-V230 PolarHBondContact O-N 3.39Å; L227-A231 PolarHBondContact O-N 3.1Å; L227-A557 HydrophobicContact CD2-CB 3.25Å
228	L	98	Very high	96.4	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-32.2	174.2	-72.4	172.3	0	0	0	112.2	V188 T190 F224 K225 Q226 A231 G232 F233 Y236	V188-L228 HydrophobicContact CB-CD1 4.16Å; V188-L228 HydrophobicContact CG1-CD1 4.07Å; V188-L228 HydrophobicContact CG1-CD2 4.34Å; T190-L228 HydrophobicContact CG2-CD1 4.35Å; F224-L228 WeakPolarHBondContact O-CG 3.38Å; F224-L228 PolarHBondContact O-N 3.24Å; K225-L228 PolarHBondContact O-N 3.31Å; Q226-L228 PolarHBondContact O-N 3.18Å; L228-A231 CarbonylContact O-C 3.57Å; L228-A231 PolarHBondContact O-N 2.69Å; L228-G232 PolarHBondContact O-N 2.9Å; L228-F233 HydrophobicContact CB-CB 4.13Å; L228-F233 HydrophobicContact CB-CD2 4.25Å; L228-F233 HydrophobicContact CB-CG 4.46Å; L228-F233 HydrophobicContact CD2-CD2 3.54Å; L228-F233 HydrophobicContact CD2-CE2 3.74Å; L228-F233 HydrophobicContact CD2-CG 4.17Å; L228-F233 HydrophobicContact CG-CD2 4.48Å; L228-F233 WeakPolarHBondContact O-CB 3.19Å; L228-F233 PolarHBondContact O-N 3.09Å; L228-Y236 HydrophobicContact CD1-CD2 3.3Å; L228-Y236 HydrophobicContact CD1-CE2 3.41Å; L228-Y236 VanDerWaalsContact CD1-CE2 3.41Å; L228-Y236 HydrophobicContact CD1-CG 3.95Å
229	M	98	Very high	96.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-42.9	172.4	-55.9	-58.4	98.7	0	0	110.7	K225 Q226 L227 A231 G232 F233 E262 L263 S264 P563 H565	K225-M229 WeakPolarHBondContact O-CE 3.41Å; K225-M229 PolarHBondContact O-N 2.98Å; Q226-M229 VanDerWaalsContact O-CB 3.29Å; Q226-M229 WeakPolarHBondContact O-CB 3.3Å; Q226-M229 PolarHBondContact O-N 2.83Å; L227-M229 VanDerWaalsContact C-N 3.3Å; L227-M229 PolarHBondContact O-N 3.32Å; M229-A231 VanDerWaalsContact C-N 3.28Å; M229-A231 PolarHBondContact O-N 3.03Å; M229-G232 PolarHBondContact O-N 2.68Å; M229-G232 VanDerWaalsContact O-N 3.09Å; M229-F233 WeakPolarHBondContact CE-O 3.27Å; M229-E262 HydrophobicContact CE-CB 3.9Å; M229-E262 HydrophobicContact CE-CG 4.13Å; M229-E262 HydrophobicContact CG-CB 4.47Å; M229-E262 HydrophobicContact CG-CG 3.67Å; M229-E262 HydrophobicContact SD-CB 4.08Å; M229-E262 HydrophobicContact SD-CG 3.78Å; M229-L263 VanDerWaalsContact SD-C 3.56Å; M229-S264 WeakPolarHBondContact CB-OG 3.41Å; M229-S264 PolarHBondContact SD-N 3.29Å; M229-S264 VanDerWaalsContact SD-N 3.42Å; M229-S264 PolarHBondContact SD-OG 3.31Å; M229-P563 HydrophobicContact CB-CG 4.25Å; M229-H565 HydrophobicContact CB-CB 4.23Å; M229-H565 HydrophobicContact CG-CB 3.81Å; M229-H565 HydrophobicContact SD-CB 4.39Å
230	V	97.6	Very high	96.8	Very high	38 Å²	38	31.4 Å²	31.4	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-38.1	173.7	-174	0	0	0	0	111.4	Q226 L227 G232 A557 A562	Q226-V230 PolarHBondContact O-N 3.28Å; L227-V230 WeakPolarHBondContact O-CB 3.45Å; L227-V230 PolarHBondContact O-N 3.39Å; V230-G232 PolarHBondContact O-N 3.15Å; V230-A557 HydrophobicContact CG1-CB 4.38Å; V230-A557 VanDerWaalsContact CG1-O 3.3Å; V230-A557 WeakPolarHBondContact CG1-O 3.39Å; V230-A557 HydrophobicContact CG2-CB 4.34Å; V230-A562 HydrophobicContact CG2-CB 3.82Å
231	A	97.2	Very high	96.9	Very high	71 Å²	71	34.9 Å²	34.9	59%	0.587	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-4	177.7	0	0	0	0	0	114.2	L227 L228 M229 F233	L227-A231 PolarHBondContact O-N 3.1Å; L228-A231 CarbonylContact O-C 3.57Å; L228-A231 PolarHBondContact O-N 2.69Å; M229-A231 VanDerWaalsContact C-N 3.28Å; M229-A231 PolarHBondContact O-N 3.03Å; A231-F233 HydrophobicContact CB-CD2 4.07Å; A231-F233 HydrophobicContact CB-CE2 4.32Å
232	G	96.2	Very high	97	Very high	61 Å²	61	34.7 Å²	34.7	63%	0.629	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	15.6	178.2	0	0	0	0	0	115.2	L228 M229 V230 D234	L228-G232 PolarHBondContact O-N 2.9Å; M229-G232 PolarHBondContact O-N 2.68Å; M229-G232 VanDerWaalsContact O-N 3.09Å; V230-G232 PolarHBondContact O-N 3.15Å; G232-D234 VanDerWaalsContact C-N 3.29Å; G232-D234 PolarHBondContact O-N 3.36Å
233	F	97.3	Very high	97.1	Very high	87 Å²	87	35.9 Å²	35.9	38%	0.382	19%	0.192	S	C	.	.			trans	-77.5	83.1	166.6	-70.4	-92.9	0	0	0	109	V188 L228 M229 A231 R235	V188-F233 HydrophobicContact CG2-CD1 4.08Å; V188-F233 HydrophobicContact CG2-CE1 4.07Å; L228-F233 HydrophobicContact CB-CB 4.13Å; L228-F233 HydrophobicContact CB-CD2 4.25Å; L228-F233 HydrophobicContact CB-CG 4.46Å; L228-F233 HydrophobicContact CD2-CD2 3.54Å; L228-F233 HydrophobicContact CD2-CE2 3.74Å; L228-F233 HydrophobicContact CD2-CG 4.17Å; L228-F233 HydrophobicContact CG-CD2 4.48Å; L228-F233 WeakPolarHBondContact O-CB 3.19Å; L228-F233 PolarHBondContact O-N 3.09Å; M229-F233 WeakPolarHBondContact CE-O 3.27Å; A231-F233 HydrophobicContact CB-CD2 4.07Å; A231-F233 HydrophobicContact CB-CE2 4.32Å; F233-R235 PolarHBondContact O-N 3.48Å
234	D	96	Very high	97	Very high	71 Å²	71	39.2 Å²	39.2	38%	0.38	20%	0.204	S	C	.	.	S	Bend	trans	-52.5	-32.8	-173.3	-168.4	62.6	0	0	0	113.9	G232 L263 S264	G232-D234 VanDerWaalsContact C-N 3.29Å; G232-D234 PolarHBondContact O-N 3.36Å; D234-L263 CarbonylContact O-C 3.54Å; D234-L263 WeakPolarHBondContact O-CA 3.28Å; D234-S264 PolarHBondContact O-N 3.33Å; D234-S264 VanDerWaalsContact OD1-CB 3.28Å; D234-S264 WeakPolarHBondContact OD1-CB 3.46Å
235	R	98.3	Very high	96.7	Very high	96 Å²	96	40.1 Å²	40.1	36%	0.362	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	106.3	179.4	-62.5	-177.3	-177.4	-142.4	-8.8	111.1	C183 F185 V186 F233 L263	C183-R235 VanDerWaalsContact O-CD 3.27Å; C183-R235 WeakPolarHBondContact O-CD 3.41Å; C183-R235 PolarHBondContact O-NH1 3.48Å; F185-R235 HydrophobicContact CB-CB 4.43Å; F185-R235 HydrophobicContact CD1-CB 3.78Å; F185-R235 HydrophobicContact CD2-CB 4.2Å; F185-R235 HydrophobicContact CE1-CB 4.02Å; F185-R235 HydrophobicContact CE2-CB 4.42Å; F185-R235 HydrophobicContact CG-CB 3.89Å; F185-R235 HydrophobicContact CZ-CB 4.34Å; V186-R235 PolarHBondContact N-O 2.82Å; F233-R235 PolarHBondContact O-N 3.48Å; R235-L263 HydrophobicContact CG-CD2 4.25Å; R235-L263 HydrophobicContact CG-CG 4.48Å
236	Y	98.2	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.6	-178.7	158	-93.7	0	0	0	110.9	F185 V188 T190 K225 L228 Q238 D260 L261 E262	F185-Y236 VanDerWaalsContact CD1-C 3.49Å; F185-Y236 VanDerWaalsContact CD1-O 3.25Å; F185-Y236 WeakPolarHBondContact CD1-O 3.43Å; F185-Y236 WeakPolarHBondContact CE1-O 3.44Å; V188-Y236 HydrophobicContact CB-CD2 3.69Å; V188-Y236 HydrophobicContact CB-CE2 3.69Å; V188-Y236 HydrophobicContact CG2-CD2 4.03Å; V188-Y236 WeakPolarHBondContact O-CE2 3.46Å; T190-Y236 HydrophobicContact CG2-CE2 4.33Å; K225-Y236 HydrophobicContact CB-CD1 3.67Å; K225-Y236 HydrophobicContact CB-CE1 3.42Å; K225-Y236 VanDerWaalsContact CB-CE1 3.42Å; K225-Y236 HydrophobicContact CD-CE1 4.41Å; L228-Y236 HydrophobicContact CD1-CD2 3.3Å; L228-Y236 HydrophobicContact CD1-CE2 3.41Å; L228-Y236 VanDerWaalsContact CD1-CE2 3.41Å; L228-Y236 HydrophobicContact CD1-CG 3.95Å; Y236-Q238 HydrophobicContact CE1-CB 4.34Å; Y236-Q238 HydrophobicContact CE2-CB 4.05Å; Y236-Q238 WeakPolarHBondContact OH-CB 3.45Å; Y236-Q238 PolarHBondContact OH-OE1 3.39Å; Y236-D260 HydrophobicContact CE1-CB 4.44Å; Y236-L261 VanDerWaalsContact O-CA 3.28Å; Y236-L261 WeakPolarHBondContact O-CA 3.45Å; Y236-E262 HydrophobicContact CD1-CB 4.17Å; Y236-E262 PolarHBondContact N-O 3.43Å; Y236-E262 PolarHBondContact O-N 2.92Å
237	Y	98.6	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.1	159.4	88	-76.3	0	0	0	112.6	R176 L179 E180 F185 V186 E187 V188 I239 D260	R176-Y237 WeakPolarHBondContact CB-OH 3.21Å; R176-Y237 WeakPolarHBondContact CD-OH 3.32Å; R176-Y237 HydrophobicContact CG-CE2 4.07Å; R176-Y237 WeakPolarHBondContact CG-OH 3.39Å; L179-Y237 HydrophobicContact CB-CD1 4.42Å; L179-Y237 HydrophobicContact CB-CE1 4.41Å; L179-Y237 HydrophobicContact CD1-CD1 4.4Å; L179-Y237 HydrophobicContact CD1-CD2 3.63Å; L179-Y237 HydrophobicContact CD1-CE2 4.09Å; L179-Y237 HydrophobicContact CD1-CG 3.8Å; E180-Y237 HydrophobicContact CG-CE1 3.75Å; E180-Y237 PolarHBondContact OE1-OH 3.31Å; F185-Y237 HydrophobicContact CB-CD1 3.76Å; F185-Y237 HydrophobicContact CB-CE1 4.41Å; V186-Y237 PolarHBondContact O-N 3.38Å; E187-Y237 VanDerWaalsContact CA-O 3.28Å; E187-Y237 WeakPolarHBondContact CA-O 3.42Å; E187-Y237 HydrophobicContact CB-CD1 4.1Å; E187-Y237 HydrophobicContact CB-CE1 3.48Å; E187-Y237 VanDerWaalsContact CB-CE1 3.48Å; E187-Y237 HydrophobicContact CB-CE2 4.22Å; E187-Y237 HydrophobicContact CG-CD2 4.5Å; E187-Y237 HydrophobicContact CG-CE1 4.15Å; E187-Y237 HydrophobicContact CG-CE2 3.99Å; E187-Y237 VanDerWaalsContact N-CE1 3.31Å; E187-Y237 PolarHBondContact OE2-OH 3.31Å; V188-Y237 PolarHBondContact N-O 2.98Å; Y237-I239 HydrophobicContact CE2-CD1 4.45Å; Y237-D260 CarbonylContact C-O 3.59Å; Y237-D260 WeakPolarHBondContact CA-O 3.48Å; Y237-D260 WeakPolarHBondContact CB-O 3.46Å
238	Q	98.3	Very high	93.5	Very high	18 Å²	18	43.8 Å²	43.8	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138.8	170.9	-172.4	-177.7	-6.5	0	0	110.7	V188 T190 Y236 A240 D260	V188-Q238 WeakPolarHBondContact O-CB 3.18Å; V188-Q238 WeakPolarHBondContact O-CG 3.32Å; V188-Q238 PolarHBondContact O-OE1 3.17Å; T190-Q238 PolarHBondContact OG1-OE1 3.05Å; Y236-Q238 HydrophobicContact CE1-CB 4.34Å; Y236-Q238 HydrophobicContact CE2-CB 4.05Å; Y236-Q238 WeakPolarHBondContact OH-CB 3.45Å; Y236-Q238 PolarHBondContact OH-OE1 3.39Å; Q238-A240 HydrophobicContact CG-CB 4.24Å; Q238-A240 PolarHBondContact O-N 3.36Å; Q238-D260 PolarHBondContact N-O 2.96Å; Q238-D260 PolarHBondContact O-N 3.24Å
239	I	98.3	Very high	92.6	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.169	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	80.2	160.7	-51.5	-57.6	0	0	0	108.1	V172 R176 Y237 T257 Q258 V259 L572	V172-I239 HydrophobicContact CG1-CD1 4.27Å; V172-I239 HydrophobicContact CG1-CG1 4.24Å; R176-I239 VanDerWaalsContact NH2-CG1 3.32Å; Y237-I239 HydrophobicContact CE2-CD1 4.45Å; I239-T257 HydrophobicContact CG2-CG2 3.51Å; I239-Q258 CarbonylContact C-O 3.39Å; I239-Q258 WeakPolarHBondContact CA-O 3.22Å; I239-V259 HydrophobicContact CD1-CB 4.3Å; I239-V259 HydrophobicContact CD1-CG1 4.03Å; I239-V259 HydrophobicContact CD1-CG2 3.72Å; I239-L572 HydrophobicContact CG2-CD2 4.34Å
240	A	97.6	Very high	91.8	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.7	-169.5	0	0	0	0	0	112.5	P221 Q238 T257 Q258	P221-A240 HydrophobicContact CG-CB 3.91Å; Q238-A240 HydrophobicContact CG-CB 4.24Å; Q238-A240 PolarHBondContact O-N 3.36Å; A240-T257 CarbonylContact O-C 3.54Å; A240-T257 VanDerWaalsContact O-CA 3.24Å; A240-T257 WeakPolarHBondContact O-CA 3.46Å; A240-T257 WeakPolarHBondContact O-CG2 3.26Å; A240-Q258 PolarHBondContact N-O 3.36Å; A240-Q258 PolarHBondContact O-N 3.08Å
241	R	97.2	Very high	91.2	Very high	114 Å²	114	52.5 Å²	52.5	43%	0.43	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.5	168.7	179.3	60.3	55.8	72	14.5	108.6	Y243 E255 F256 T257	R241-Y243 HydrophobicContact CG-CE1 4.02Å; R241-Y243 HydrophobicContact CG-CE2 3.92Å; R241-Y243 VanDerWaalsContact CG-CZ 3.47Å; R241-Y243 VanDerWaalsContact CG-OH 3.23Å; R241-Y243 WeakPolarHBondContact CG-OH 3.22Å; R241-E255 IonicContact CZ-OE1 2.78Å; R241-E255 IonicContact NH1-OE1 3.6Å; R241-E255 PolarHBondContact NH1-OE1 2.73Å; R241-F256 WeakPolarHBondContact CD-O 2.86Å; R241-T257 PolarHBondContact NE-OG1 3.48Å; R241-T257 VanDerWaalsContact NE-OG1 3.14Å
242	C	95.8	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.7	-172.5	-59.1	0	0	0	0	110.8	P218 Q219 F256 Q258	P218-C242 WeakPolarHBondContact O-CA 3.34Å; Q219-C242 WeakPolarHBondContact O-CB 3.49Å; C242-F256 HydrophobicContact CB-CD1 4.41Å; C242-F256 HydrophobicContact CB-CD2 4.05Å; C242-F256 HydrophobicContact CB-CE1 3.94Å; C242-F256 HydrophobicContact CB-CE2 3.54Å; C242-F256 HydrophobicContact CB-CG 4.45Å; C242-F256 HydrophobicContact CB-CZ 3.46Å; C242-F256 VanDerWaalsContact CB-CZ 3.46Å; C242-F256 PolarHBondContact N-O 3.41Å; C242-F256 PolarHBondContact O-N 3.14Å; C242-Q258 PolarHBondContact SG-OE1 2.89Å
243	Y	95.1	Very high	90.5	Very high	41 Å²	41	51.4 Å²	51.4	16%	0.161	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.5	-173.6	-49.3	-92.7	0	0	0	110.9	T192 L217 P218 Q219 R241 P254 E255	T192-Y243 HydrophobicContact CG2-CE2 3.83Å; L217-Y243 HydrophobicContact CB-CD2 3.71Å; L217-Y243 HydrophobicContact CB-CE2 4.45Å; L217-Y243 HydrophobicContact CB-CG 3.83Å; L217-Y243 HydrophobicContact CD1-CD1 3.87Å; L217-Y243 HydrophobicContact CD1-CD2 4.22Å; L217-Y243 HydrophobicContact CD1-CE1 4.26Å; L217-Y243 HydrophobicContact CD1-CG 3.83Å; L217-Y243 HydrophobicContact CG-CD2 4.44Å; L217-Y243 HydrophobicContact CG-CG 4.43Å; P218-Y243 HydrophobicContact CG-CD2 4.4Å; P218-Y243 PolarHBondContact O-N 3.44Å; Q219-Y243 WeakPolarHBondContact CA-O 3.2Å; Q219-Y243 VanDerWaalsContact CG-O 3.25Å; Q219-Y243 WeakPolarHBondContact CG-O 3.26Å; R241-Y243 HydrophobicContact CG-CE1 4.02Å; R241-Y243 HydrophobicContact CG-CE2 3.92Å; R241-Y243 VanDerWaalsContact CG-CZ 3.47Å; R241-Y243 VanDerWaalsContact CG-OH 3.23Å; R241-Y243 WeakPolarHBondContact CG-OH 3.22Å; Y243-P254 CarbonylContact C-O 3.52Å; Y243-P254 WeakPolarHBondContact CA-O 3.49Å; Y243-E255 HydrophobicContact CD1-CB 4.34Å; Y243-E255 HydrophobicContact CD1-CG 4.09Å; Y243-E255 HydrophobicContact CE1-CG 3.89Å
244	R	92.5	Very high	90.4	Very high	75 Å²	75	47.5 Å²	47.5	28%	0.283	23%	0.234	S	C	.	.			trans	-132.3	125.2	175.2	-68.7	178.9	-170.1	-175.6	5.3	109.3	A201 F204 Q219 E246 P254 F256	A201-R244 HydrophobicContact CB-CB 4.4Å; A201-R244 HydrophobicContact CB-CG 3.97Å; F204-R244 VanDerWaalsContact CE2-C 3.44Å; F204-R244 VanDerWaalsContact CE2-O 3.32Å; F204-R244 WeakPolarHBondContact CE2-O 3.31Å; Q219-R244 HydrophobicContact CB-CG 4.2Å; Q219-R244 HydrophobicContact CG-CG 4.07Å; R244-E246 HydrophobicContact CB-CG 4.4Å; R244-E246 PolarHBondContact O-N 2.94Å; R244-P254 PolarHBondContact N-O 3.39Å; R244-P254 WeakPolarHBondContact O-CA 3.4Å; R244-P254 VanDerWaalsContact O-CB 3.3Å; R244-P254 WeakPolarHBondContact O-CB 3.32Å; R244-F256 HydrophobicContact CB-CE1 4.23Å; R244-F256 HydrophobicContact CG-CE1 3.79Å; R244-F256 HydrophobicContact CG-CZ 4.09Å
245	D	89.9	Confident	90.3	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	23%	0.227	S	C	.	.			trans	-79.3	60.4	178.3	-174.4	28.9	0	0	0	110.5	Q202 F204	Q202-D245 HydrophobicContact CB-CB 4.07Å; Q202-D245 WeakPolarHBondContact CB-O 3.39Å; Q202-D245 HydrophobicContact CG-CB 3.91Å; Q202-D245 PolarHBondContact NE2-OD2 3.01Å; Q202-D245 PolarHBondContact O-N 3.04Å; F204-D245 HydrophobicContact CD1-CB 4.11Å; F204-D245 HydrophobicContact CD2-CB 4.04Å; F204-D245 HydrophobicContact CE1-CB 3.98Å; F204-D245 WeakPolarHBondContact CE1-OD1 3.25Å; F204-D245 HydrophobicContact CE2-CB 3.94Å; F204-D245 HydrophobicContact CG-CB 4.14Å; F204-D245 HydrophobicContact CZ-CB 3.9Å
246	E	81.6	Confident	90.1	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.313	22%	0.216	S	C	.	.	S	Bend	trans	-119.9	154.3	179.2	-68.8	178.3	-160.2	0	0	110.3	A201 R244 R252	A201-E246 WeakPolarHBondContact CB-OE1 3.23Å; R244-E246 HydrophobicContact CB-CG 4.4Å; R244-E246 PolarHBondContact O-N 2.94Å; E246-R252 IonicContact OE2-NH1 2.78Å
247	G	70.7	Confident	90.1	Very high	58 Å²	58	43.8 Å²	43.8	60%	0.598	22%	0.218	S	C	*	.			trans	-55.5	142	171.3	0	0	0	0	0	112	K249	G247-K249 PolarHBondContact O-N 2.92Å
248	S	71.6	Confident	90.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.			trans	-94	106.7	-172.5	-173.9	0	0	0	0	111.8	R252 Q253 R586 S594 H595	S248-R252 PolarHBondContact OG-O 2.93Å; S248-Q253 PolarHBondContact OG-NE2 3.42Å; S248-R586 PolarHBondContact O-NH2 3.3Å; S248-R586 PolarHBondContact OG-NH2 3.34Å; S248-S594 WeakPolarHBondContact CB-O 3.33Å; S248-S594 PolarHBondContact OG-O 2.75Å; S248-H595 WeakPolarHBondContact CB-O 3.18Å; S248-H595 PolarHBondContact N-O 3.47Å; S248-H595 VanDerWaalsContact O-CA 3.31Å; S248-H595 WeakPolarHBondContact O-CA 3.15Å; S248-H595 PolarHBondContact O-CD2 3.29Å
249	K	79.2	Confident	90.1	Very high	113 Å²	113	43.8 Å²	43.8	49%	0.491	22%	0.218	S	C	.	.			trans	-81.3	-178.6	173.9	-64.8	-175.3	-179.6	-178.7	0	112.5	G247 D251 R252 R586	G247-K249 PolarHBondContact O-N 2.92Å; K249-D251 WeakPolarHBondContact CB-OD1 3.46Å; K249-D251 PolarHBondContact O-N 3.27Å; K249-R252 HydrophobicContact CB-CB 4.28Å; K249-R252 HydrophobicContact CB-CG 4.44Å; K249-R586 PolarHBondContact O-NH1 3.43Å; K249-R586 PolarHBondContact O-NH2 3.01Å
250	S	80.6	Confident	90.1	Very high	72 Å²	72	42.2 Å²	42.2	50%	0.503	21%	0.21	S	C	.	.	S	Bend	trans	-65.5	-26.5	174.8	50.5	0	0	0	0	112.7	S584 I585	S250-S584 WeakPolarHBondContact O-CA 3.27Å; S250-I585 VanDerWaalsContact O-CG2 3.3Å; S250-I585 WeakPolarHBondContact O-CG2 3.25Å; S250-I585 PolarHBondContact O-N 2.88Å
251	D	84.1	Confident	90.1	Very high	67 Å²	67	42.1 Å²	42.1	36%	0.358	21%	0.21	S	C	.	.	S	Bend	trans	-105.3	2.4	-178.6	68.3	-44.1	0	0	0	113.6	K249 I585	K249-D251 WeakPolarHBondContact CB-OD1 3.46Å; K249-D251 PolarHBondContact O-N 3.27Å; D251-I585 WeakPolarHBondContact O-CD1 2.94Å
252	R	87.8	Confident	90.2	Very high	98 Å²	98	36.7 Å²	36.7	37%	0.37	19%	0.189	S	C	.	.			trans	-134.7	144.4	-175.7	-60.4	-177.4	-173	-163.4	-2.2	112.6	E246 S248 K249	E246-R252 IonicContact OE2-NH1 2.78Å; S248-R252 PolarHBondContact OG-O 2.93Å; K249-R252 HydrophobicContact CB-CB 4.28Å; K249-R252 HydrophobicContact CB-CG 4.44Å
253	Q	92.9	Very high	90.3	Very high	10 Å²	10	37 Å²	37	5%	0.047	19%	0.191	C	C	.	.			trans	-128.6	147.2	169.4	-70.9	-67.9	-69.1	0	0	109	S248 E255 F256 I585 I589 P592 K593	S248-Q253 PolarHBondContact OG-NE2 3.42Å; Q253-E255 WeakPolarHBondContact CB-O 3.37Å; Q253-E255 PolarHBondContact O-N 3.39Å; Q253-F256 HydrophobicContact CB-CB 4.46Å; Q253-F256 VanDerWaalsContact O-CD1 3.26Å; Q253-F256 WeakPolarHBondContact O-CD1 3.33Å; Q253-I585 HydrophobicContact CG-CG2 3.71Å; Q253-I589 HydrophobicContact CB-CD1 4.46Å; Q253-I589 HydrophobicContact CG-CD1 3.67Å; Q253-P592 VanDerWaalsContact OE1-CB 3.31Å; Q253-K593 PolarHBondContact OE1-O 3.35Å
254	P	93.6	Very high	90.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.032	19%	0.186	C	C	.	.	S	Bend	trans	-66.4	-24.5	172.3	28.7	-35.7	0	0	0	111.5	F204 Y243 R244 K593	F204-P254 HydrophobicContact CE2-CB 3.99Å; F204-P254 HydrophobicContact CZ-CB 3.99Å; Y243-P254 CarbonylContact C-O 3.52Å; Y243-P254 WeakPolarHBondContact CA-O 3.49Å; R244-P254 PolarHBondContact N-O 3.39Å; R244-P254 WeakPolarHBondContact O-CA 3.4Å; R244-P254 VanDerWaalsContact O-CB 3.3Å; R244-P254 WeakPolarHBondContact O-CB 3.32Å; P254-K593 HydrophobicContact CG-CB 3.9Å; P254-K593 HydrophobicContact CG-CG 3.75Å
255	E	93.9	Very high	90.7	Very high	54 Å²	54	39.2 Å²	39.2	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117	174.5	-179.4	-174	179	0	0	108.5	R241 Y243 Q253 K593	R241-E255 IonicContact CZ-OE1 2.78Å; R241-E255 IonicContact NH1-OE1 3.6Å; R241-E255 PolarHBondContact NH1-OE1 2.73Å; Y243-E255 HydrophobicContact CD1-CB 4.34Å; Y243-E255 HydrophobicContact CD1-CG 4.09Å; Y243-E255 HydrophobicContact CE1-CG 3.89Å; Q253-E255 WeakPolarHBondContact CB-O 3.37Å; Q253-E255 PolarHBondContact O-N 3.39Å; E255-K593 IonicContact OE2-NZ 3.95Å; E255-K593 PolarHBondContact OE2-NZ 3.35Å
256	F	95.7	Very high	91	Very high	28 Å²	28	37.5 Å²	37.5	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.6	-173.7	61.2	-80.9	0	0	0	112.1	R241 C242 R244 Q253 Q258 D573	R241-F256 WeakPolarHBondContact CD-O 2.86Å; C242-F256 HydrophobicContact CB-CD1 4.41Å; C242-F256 HydrophobicContact CB-CD2 4.05Å; C242-F256 HydrophobicContact CB-CE1 3.94Å; C242-F256 HydrophobicContact CB-CE2 3.54Å; C242-F256 HydrophobicContact CB-CG 4.45Å; C242-F256 HydrophobicContact CB-CZ 3.46Å; C242-F256 VanDerWaalsContact CB-CZ 3.46Å; C242-F256 PolarHBondContact N-O 3.41Å; C242-F256 PolarHBondContact O-N 3.14Å; R244-F256 HydrophobicContact CB-CE1 4.23Å; R244-F256 HydrophobicContact CG-CE1 3.79Å; R244-F256 HydrophobicContact CG-CZ 4.09Å; Q253-F256 HydrophobicContact CB-CB 4.46Å; Q253-F256 VanDerWaalsContact O-CD1 3.26Å; Q253-F256 WeakPolarHBondContact O-CD1 3.33Å; F256-Q258 HydrophobicContact CD2-CG 3.93Å; F256-Q258 HydrophobicContact CE2-CG 3.78Å; F256-D573 WeakPolarHBondContact CA-OD2 3.49Å; F256-D573 VanDerWaalsContact CB-OD2 3.31Å; F256-D573 WeakPolarHBondContact CB-OD2 3.37Å
257	T	98	Very high	91.7	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.3	-179.7	-70.6	0	0	0	0	112.1	I239 A240 R241 L572 D573	I239-T257 HydrophobicContact CG2-CG2 3.51Å; A240-T257 CarbonylContact O-C 3.54Å; A240-T257 VanDerWaalsContact O-CA 3.24Å; A240-T257 WeakPolarHBondContact O-CA 3.46Å; A240-T257 WeakPolarHBondContact O-CG2 3.26Å; R241-T257 PolarHBondContact NE-OG1 3.48Å; R241-T257 VanDerWaalsContact NE-OG1 3.14Å; T257-L572 HydrophobicContact CG2-CB 4.27Å; T257-L572 HydrophobicContact CG2-CD2 3.7Å; T257-L572 WeakPolarHBondContact O-CB 3.43Å; T257-L572 PolarHBondContact O-N 2.92Å; T257-L572 VanDerWaalsContact O-N 3.12Å; T257-D573 PolarHBondContact N-OD2 3.13Å
258	Q	97.5	Very high	92.9	Very high	18 Å²	18	36 Å²	36	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158	174.8	-60.3	-173.6	-85.8	0	0	111	I239 A240 C242 F256 D260 L570	I239-Q258 CarbonylContact C-O 3.39Å; I239-Q258 WeakPolarHBondContact CA-O 3.22Å; A240-Q258 PolarHBondContact N-O 3.36Å; A240-Q258 PolarHBondContact O-N 3.08Å; C242-Q258 PolarHBondContact SG-OE1 2.89Å; F256-Q258 HydrophobicContact CD2-CG 3.93Å; F256-Q258 HydrophobicContact CE2-CG 3.78Å; Q258-D260 WeakPolarHBondContact CB-OD2 3.5Å; Q258-L570 CarbonylContact C-O 3.41Å; Q258-L570 WeakPolarHBondContact CA-O 3.29Å
259	V	98.5	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	100.4	160.3	-172.2	0	0	0	0	105.9	M175 L179 I239 M278 A569 L570 L572	M175-V259 HydrophobicContact SD-CG2 4.05Å; L179-V259 HydrophobicContact CD1-CG1 4.42Å; I239-V259 HydrophobicContact CD1-CB 4.3Å; I239-V259 HydrophobicContact CD1-CG1 4.03Å; I239-V259 HydrophobicContact CD1-CG2 3.72Å; V259-M278 HydrophobicContact CG1-SD 4.11Å; V259-A569 WeakPolarHBondContact O-CA 3.49Å; V259-L570 HydrophobicContact CB-CB 4.17Å; V259-L570 PolarHBondContact N-O 2.75Å; V259-L570 PolarHBondContact O-N 3.02Å; V259-L572 HydrophobicContact CG2-CB 4.22Å; V259-L572 HydrophobicContact CG2-CD1 4.27Å
260	D	98.5	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.3	176.3	-85.7	-98.6	0	0	0	109.3	P221 K225 Y236 Y237 Q238 Q258 A569	P221-D260 HydrophobicContact CG-CB 3.75Å; P221-D260 VanDerWaalsContact CG-CG 3.41Å; K225-D260 IonicContact NZ-OD1 2.92Å; K225-D260 PolarHBondContact NZ-OD1 3.38Å; Y236-D260 HydrophobicContact CE1-CB 4.44Å; Y237-D260 CarbonylContact C-O 3.59Å; Y237-D260 WeakPolarHBondContact CA-O 3.48Å; Y237-D260 WeakPolarHBondContact CB-O 3.46Å; Q238-D260 PolarHBondContact N-O 2.96Å; Q238-D260 PolarHBondContact O-N 3.24Å; Q258-D260 WeakPolarHBondContact CB-OD2 3.5Å; D260-A569 WeakPolarHBondContact OD1-CB 3.21Å
261	L	98.3	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.1	174.6	61.5	94.9	0	0	0	110.4	F185 Y236 L263 V271 V275 G567 F568	F185-L261 HydrophobicContact CE1-CB 4.08Å; Y236-L261 VanDerWaalsContact O-CA 3.28Å; Y236-L261 WeakPolarHBondContact O-CA 3.45Å; L261-L263 HydrophobicContact CD1-CD1 3.72Å; L261-V271 HydrophobicContact CD1-CG1 4.02Å; L261-V275 HydrophobicContact CD2-CG2 3.85Å; L261-G567 CarbonylContact O-C 3.51Å; L261-G567 WeakPolarHBondContact O-CA 3.2Å; L261-F568 HydrophobicContact CD1-CB 3.77Å; L261-F568 HydrophobicContact CD2-CB 4.21Å; L261-F568 HydrophobicContact CD2-CD1 4.4Å; L261-F568 HydrophobicContact CG-CB 3.91Å; L261-F568 PolarHBondContact N-O 2.83Å; L261-F568 PolarHBondContact O-N 2.9Å
262	E	98.5	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.1	174.2	-160	78	-146	0	0	108.3	K225 M229 Y236 R529 H565 A566 G567	K225-E262 HydrophobicContact CB-CB 4.03Å; K225-E262 HydrophobicContact CB-CG 4.49Å; K225-E262 HydrophobicContact CD-CB 4.21Å; K225-E262 VanDerWaalsContact CD-OE2 3.3Å; K225-E262 WeakPolarHBondContact CD-OE2 3.5Å; K225-E262 WeakPolarHBondContact CE-OE2 3.4Å; K225-E262 HydrophobicContact CG-CB 4.15Å; K225-E262 HydrophobicContact CG-CG 4.27Å; K225-E262 WeakPolarHBondContact CG-OE2 3.25Å; K225-E262 IonicContact NZ-OE2 3.16Å; M229-E262 HydrophobicContact CE-CB 3.9Å; M229-E262 HydrophobicContact CE-CG 4.13Å; M229-E262 HydrophobicContact CG-CB 4.47Å; M229-E262 HydrophobicContact CG-CG 3.67Å; M229-E262 HydrophobicContact SD-CB 4.08Å; M229-E262 HydrophobicContact SD-CG 3.78Å; Y236-E262 HydrophobicContact CD1-CB 4.17Å; Y236-E262 PolarHBondContact N-O 3.43Å; Y236-E262 PolarHBondContact O-N 2.92Å; E262-R529 VanDerWaalsContact OE1-CG 3.24Å; E262-R529 WeakPolarHBondContact OE1-CG 3.3Å; E262-R529 IonicContact OE1-CZ 2.82Å; E262-R529 IonicContact OE1-NE 3.65Å; E262-R529 PolarHBondContact OE1-NE 2.92Å; E262-R529 IonicContact OE1-NH2 3.71Å; E262-R529 IonicContact OE2-CZ 3.09Å; E262-R529 IonicContact OE2-NE 3.63Å; E262-R529 PolarHBondContact OE2-NE 3.39Å; E262-R529 IonicContact OE2-NH2 3.46Å; E262-R529 PolarHBondContact OE2-NH2 3.04Å; E262-H565 IonicContact OE1-CD2 3.82Å; E262-H565 PolarHBondContact OE1-CD2 3.16Å; E262-A566 WeakPolarHBondContact CA-O 3.33Å; E262-A566 WeakPolarHBondContact OE1-CA 3.44Å; E262-G567 PolarHBondContact OE1-N 3.21Å; E262-G567 VanDerWaalsContact OE1-N 3.14Å; E262-G567 WeakPolarHBondContact OE2-CA 3.14Å
263	L	98.4	Very high	97	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.2	-179.5	-58.8	94.3	0	0	0	110.2	F185 M229 D234 R235 L261 A266 V271 V274 H565 A566	F185-L263 HydrophobicContact CE1-CD1 4.21Å; F185-L263 HydrophobicContact CE1-CD2 4.44Å; F185-L263 HydrophobicContact CE1-CG 3.99Å; F185-L263 HydrophobicContact CE2-CD2 4.24Å; F185-L263 HydrophobicContact CZ-CD1 3.83Å; F185-L263 HydrophobicContact CZ-CD2 3.63Å; F185-L263 HydrophobicContact CZ-CG 3.62Å; M229-L263 VanDerWaalsContact SD-C 3.56Å; D234-L263 CarbonylContact O-C 3.54Å; D234-L263 WeakPolarHBondContact O-CA 3.28Å; R235-L263 HydrophobicContact CG-CD2 4.25Å; R235-L263 HydrophobicContact CG-CG 4.48Å; L261-L263 HydrophobicContact CD1-CD1 3.72Å; L263-A266 HydrophobicContact CB-CB 3.67Å; L263-V271 HydrophobicContact CD1-CG2 3.88Å; L263-V274 HydrophobicContact CD2-CG2 4.21Å; L263-H565 WeakPolarHBondContact O-CA 3.37Å; L263-H565 WeakPolarHBondContact O-CB 3.27Å; L263-A566 PolarHBondContact N-O 3.07Å; L263-A566 PolarHBondContact O-N 3.49Å
264	S	98.1	Very high	97.2	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	154	167.3	-64.9	0	0	0	0	110.8	M229 D234 A266 P563	M229-S264 WeakPolarHBondContact CB-OG 3.41Å; M229-S264 PolarHBondContact SD-N 3.29Å; M229-S264 VanDerWaalsContact SD-N 3.42Å; M229-S264 PolarHBondContact SD-OG 3.31Å; D234-S264 PolarHBondContact O-N 3.33Å; D234-S264 VanDerWaalsContact OD1-CB 3.28Å; D234-S264 WeakPolarHBondContact OD1-CB 3.46Å; S264-A266 PolarHBondContact O-N 2.8Å; S264-A266 VanDerWaalsContact O-N 3.13Å; S264-P563 WeakPolarHBondContact OG-CG 3.4Å
265	F	97.4	Very high	97.5	Very high	153 Å²	153	30.4 Å²	30.4	67%	0.671	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.1	-179.4	-49.1	-73.2	0	0	0	114.1	P563 P564	F265-P563 HydrophobicContact CD1-CB 4.23Å; F265-P563 HydrophobicContact CE1-CB 3.64Å; F265-P563 HydrophobicContact CE2-CB 4.09Å; F265-P563 HydrophobicContact CZ-CB 3.57Å; F265-P564 WeakPolarHBondContact CA-O 3.21Å; F265-P564 PolarHBondContact N-O 3.1Å
266	A	96	Very high	97.7	Very high	21 Å²	21	29 Å²	29	17%	0.174	16%	0.157	C	C	.	.			trans	-121.9	155	-177.9	0	0	0	0	0	112.1	L263 S264	L263-A266 HydrophobicContact CB-CB 3.67Å; S264-A266 PolarHBondContact O-N 2.8Å; S264-A266 VanDerWaalsContact O-N 3.13Å
267	D	95.5	Very high	97.8	Very high	60 Å²	60	29.4 Å²	29.4	32%	0.321	16%	0.163	S	C	.	.			trans	-114.7	-176	170.8	61.1	13.2	0	0	0	111.3	F269 G270 V271 R512	D267-F269 VanDerWaalsContact C-N 3.26Å; D267-F269 PolarHBondContact O-N 3.36Å; D267-F269 PolarHBondContact OD1-N 2.85Å; D267-F269 VanDerWaalsContact OD1-N 3.15Å; D267-G270 PolarHBondContact O-N 3.01Å; D267-G270 PolarHBondContact OD1-N 2.81Å; D267-V271 WeakPolarHBondContact O-CG2 3.47Å; D267-V271 PolarHBondContact O-N 2.9Å; D267-V271 VanDerWaalsContact O-N 3.1Å; D267-R512 VanDerWaalsContact CB-NH2 3.34Å
268	E	96.3	Very high	97.9	Very high	33 Å²	33	29 Å²	29	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-52.4	-40.4	174.5	53.7	-86.9	-160.9	0	0	113.2	V271 M272 R512 Y514 V528	E268-V271 PolarHBondContact O-N 3.23Å; E268-M272 HydrophobicContact CB-CE 4.13Å; E268-M272 WeakPolarHBondContact O-CB 3.3Å; E268-M272 WeakPolarHBondContact O-CG 3.5Å; E268-M272 PolarHBondContact O-N 2.63Å; E268-R512 IonicContact OE1-CZ 3.3Å; E268-R512 IonicContact OE1-NE 2.76Å; E268-R512 PolarHBondContact OE1-NE 3.08Å; E268-R512 IonicContact OE1-NH2 2.68Å; E268-R512 PolarHBondContact OE1-NH2 3.06Å; E268-R512 VanDerWaalsContact OE1-NH2 3.11Å; E268-R512 IonicContact OE2-CZ 2.93Å; E268-R512 IonicContact OE2-NE 3.11Å; E268-R512 PolarHBondContact OE2-NE 2.88Å; E268-R512 IonicContact OE2-NH2 3.65Å; E268-R512 PolarHBondContact OE2-NH2 2.87Å; E268-Y514 HydrophobicContact CB-CD1 3.4Å; E268-Y514 HydrophobicContact CB-CE1 3.29Å; E268-Y514 HydrophobicContact CB-CG 4.33Å; E268-V528 WeakPolarHBondContact OE2-CG2 3.47Å
269	F	97.3	Very high	97.9	Very high	137 Å²	137	28.1 Å²	28.1	60%	0.601	16%	0.157	S	C	*	.	H	α-helix	trans	-69.3	-41.6	-177.4	-56.6	-67.6	0	0	0	111.6	D267 V271 M272 A273	D267-F269 VanDerWaalsContact C-N 3.26Å; D267-F269 PolarHBondContact O-N 3.36Å; D267-F269 PolarHBondContact OD1-N 2.85Å; D267-F269 VanDerWaalsContact OD1-N 3.15Å; F269-V271 VanDerWaalsContact C-N 3.33Å; F269-V271 PolarHBondContact O-N 3.1Å; F269-M272 PolarHBondContact O-N 2.8Å; F269-A273 WeakPolarHBondContact O-CB 3.29Å; F269-A273 PolarHBondContact O-N 3.48Å
270	G	97.2	Very high	97.8	Very high	28 Å²	28	33.2 Å²	33.2	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-60.4	-43.2	173.5	0	0	0	0	0	112.2	D267 V274	D267-G270 PolarHBondContact O-N 3.01Å; D267-G270 PolarHBondContact OD1-N 2.81Å; G270-V274 WeakPolarHBondContact O-CG2 3.43Å; G270-V274 PolarHBondContact O-N 3.05Å
271	V	98.4	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-47.2	176.6	171.5	0	0	0	0	111.7	L261 L263 D267 E268 F269 A273 V274 V275 Y514 A566 F568	L261-V271 HydrophobicContact CD1-CG1 4.02Å; L263-V271 HydrophobicContact CD1-CG2 3.88Å; D267-V271 WeakPolarHBondContact O-CG2 3.47Å; D267-V271 PolarHBondContact O-N 2.9Å; D267-V271 VanDerWaalsContact O-N 3.1Å; E268-V271 PolarHBondContact O-N 3.23Å; F269-V271 VanDerWaalsContact C-N 3.33Å; F269-V271 PolarHBondContact O-N 3.1Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 PolarHBondContact O-N 2.95Å; V271-V274 PolarHBondContact O-N 3.02Å; V271-V275 HydrophobicContact CG1-CG2 4.37Å; V271-V275 WeakPolarHBondContact O-CG2 3.42Å; V271-V275 PolarHBondContact O-N 2.79Å; V271-Y514 HydrophobicContact CB-CE2 4.2Å; V271-Y514 WeakPolarHBondContact CB-OH 3.36Å; V271-Y514 HydrophobicContact CG1-CE2 3.61Å; V271-Y514 WeakPolarHBondContact CG1-OH 3.36Å; V271-Y514 WeakPolarHBondContact CG2-OH 3.31Å; V271-A566 HydrophobicContact CG2-CB 3.59Å; V271-F568 HydrophobicContact CG1-CB 3.65Å; V271-F568 HydrophobicContact CG1-CG 4.49Å
272	M	98.5	Very high	97.8	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.044	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-46.1	178	-71.8	170.2	-174.4	0	0	111.3	E268 F269 V274 V275 E276 W469 V471 Y514	E268-M272 HydrophobicContact CB-CE 4.13Å; E268-M272 WeakPolarHBondContact O-CB 3.3Å; E268-M272 WeakPolarHBondContact O-CG 3.5Å; E268-M272 PolarHBondContact O-N 2.63Å; F269-M272 PolarHBondContact O-N 2.8Å; M272-V274 VanDerWaalsContact C-N 3.35Å; M272-V274 PolarHBondContact O-N 3.13Å; M272-V275 PolarHBondContact O-N 3.06Å; M272-E276 WeakPolarHBondContact O-CB 3.39Å; M272-E276 VanDerWaalsContact O-CG 3.31Å; M272-E276 WeakPolarHBondContact O-CG 3.39Å; M272-E276 PolarHBondContact O-N 3.22Å; M272-W469 HydrophobicContact CB-CD2 4.49Å; M272-W469 HydrophobicContact CB-CZ2 3.93Å; M272-W469 HydrophobicContact CE-CB 4.37Å; M272-W469 HydrophobicContact CE-CD2 4.26Å; M272-W469 HydrophobicContact CE-CE3 4.23Å; M272-W469 HydrophobicContact CE-CG 4.33Å; M272-W469 HydrophobicContact CG-CD2 3.74Å; M272-W469 HydrophobicContact CG-CE3 4.07Å; M272-W469 HydrophobicContact CG-CG 4.23Å; M272-W469 HydrophobicContact CG-CH2 4.12Å; M272-W469 HydrophobicContact CG-CZ2 3.81Å; M272-W469 HydrophobicContact CG-CZ3 4.23Å; M272-W469 HydrophobicContact SD-CD2 4.21Å; M272-W469 HydrophobicContact SD-CG 4.12Å; M272-V471 HydrophobicContact CE-CG1 3.52Å; M272-Y514 HydrophobicContact CE-CD1 4.1Å; M272-Y514 HydrophobicContact CE-CD2 4.11Å; M272-Y514 HydrophobicContact CE-CG 3.6Å
273	A	98.3	Very high	97.7	Very high	57 Å²	57	38.3 Å²	38.3	47%	0.471	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-41.5	178.6	0	0	0	0	0	112.6	F269 V271 S277	F269-A273 WeakPolarHBondContact O-CB 3.29Å; F269-A273 PolarHBondContact O-N 3.48Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 PolarHBondContact O-N 2.95Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.35Å; A273-S277 PolarHBondContact O-N 2.97Å
274	V	98.4	Very high	97.6	Very high	17 Å²	17	38.6 Å²	38.6	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-43.4	175.9	170.2	0	0	0	0	111.3	L179 F185 L263 G270 V271 M272 S277 M278	L179-V274 HydrophobicContact CD2-CG1 4.09Å; F185-V274 HydrophobicContact CE2-CG1 3.69Å; F185-V274 HydrophobicContact CE2-CG2 4.35Å; F185-V274 HydrophobicContact CZ-CG1 3.76Å; L263-V274 HydrophobicContact CD2-CG2 4.21Å; G270-V274 WeakPolarHBondContact O-CG2 3.43Å; G270-V274 PolarHBondContact O-N 3.05Å; V271-V274 PolarHBondContact O-N 3.02Å; M272-V274 VanDerWaalsContact C-N 3.35Å; M272-V274 PolarHBondContact O-N 3.13Å; V274-S277 PolarHBondContact O-N 2.72Å; V274-M278 VanDerWaalsContact O-CB 3.3Å; V274-M278 WeakPolarHBondContact O-CB 3.3Å; V274-M278 PolarHBondContact O-N 2.67Å
275	V	98.6	Very high	97.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-43.8	178.5	172.3	0	0	0	0	111	L261 V271 M272 M278 I279 W469 L516 F568	L261-V275 HydrophobicContact CD2-CG2 3.85Å; V271-V275 HydrophobicContact CG1-CG2 4.37Å; V271-V275 WeakPolarHBondContact O-CG2 3.42Å; V271-V275 PolarHBondContact O-N 2.79Å; M272-V275 PolarHBondContact O-N 3.06Å; V275-M278 PolarHBondContact O-N 2.92Å; V275-I279 HydrophobicContact CG1-CD1 3.9Å; V275-I279 WeakPolarHBondContact O-CG1 3.48Å; V275-I279 PolarHBondContact O-N 3.48Å; V275-W469 HydrophobicContact CB-CH2 4Å; V275-W469 HydrophobicContact CB-CZ2 3.94Å; V275-W469 HydrophobicContact CG1-CH2 3.81Å; V275-W469 HydrophobicContact CG1-CZ2 3.83Å; V275-W469 HydrophobicContact CG2-CH2 4.29Å; V275-L516 HydrophobicContact CG1-CD2 3.97Å; V275-F568 HydrophobicContact CG1-CD1 4.31Å; V275-F568 HydrophobicContact CG1-CE1 3.99Å; V275-F568 HydrophobicContact CG1-CZ 4.5Å; V275-F568 HydrophobicContact CG2-CB 4.12Å; V275-F568 HydrophobicContact CG2-CD1 3.52Å; V275-F568 HydrophobicContact CG2-CE1 4.06Å; V275-F568 HydrophobicContact CG2-CG 3.85Å
276	E	98.5	Very high	96.6	Very high	24 Å²	24	45 Å²	45	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-50.1	176	-75.4	-179.8	-161.5	0	0	111.5	M272 M278 I279 E280 F293 P294 F295 W469	M272-E276 WeakPolarHBondContact O-CB 3.39Å; M272-E276 VanDerWaalsContact O-CG 3.31Å; M272-E276 WeakPolarHBondContact O-CG 3.39Å; M272-E276 PolarHBondContact O-N 3.22Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.14Å; E276-I279 PolarHBondContact O-N 3.12Å; E276-I279 VanDerWaalsContact O-N 3.15Å; E276-E280 WeakPolarHBondContact O-CB 3.39Å; E276-E280 PolarHBondContact O-N 3.05Å; E276-F293 HydrophobicContact CB-CD1 4.33Å; E276-P294 WeakPolarHBondContact OE2-CA 3.24Å; E276-P294 WeakPolarHBondContact OE2-CB 3.27Å; E276-F295 HydrophobicContact CG-CD2 3.55Å; E276-F295 HydrophobicContact CG-CE2 3.83Å; E276-F295 HydrophobicContact CG-CG 4.08Å; E276-F295 PolarHBondContact OE1-N 2.75Å; E276-F295 PolarHBondContact OE2-N 2.72Å; E276-W469 PolarHBondContact OE1-NE1 3.22Å
277	S	98.3	Very high	96.2	Very high	36 Å²	36	47.8 Å²	47.8	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-39.9	177.2	-175.6	0	0	0	0	111.9	H178 A273 V274 E280 N281	H178-S277 PolarHBondContact CE1-OG 3.03Å; H178-S277 PolarHBondContact NE2-O 3.07Å; H178-S277 PolarHBondContact NE2-OG 2.93Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.35Å; A273-S277 PolarHBondContact O-N 2.97Å; V274-S277 PolarHBondContact O-N 2.72Å; S277-E280 PolarHBondContact O-N 3.25Å; S277-N281 WeakPolarHBondContact O-CB 3.48Å; S277-N281 PolarHBondContact O-N 3.15Å; S277-N281 PolarHBondContact O-ND2 3.24Å
278	M	98.4	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-44.5	174.4	179.7	-173.1	63.1	0	0	111.7	M175 L179 V259 V274 V275 E276 S282 L570	M175-M278 HydrophobicContact CB-CG 4.21Å; M175-M278 HydrophobicContact CB-SD 4.25Å; M175-M278 HydrophobicContact CE-CE 4.37Å; M175-M278 HydrophobicContact CG-CG 3.88Å; M175-M278 HydrophobicContact CG-SD 4.08Å; M175-M278 HydrophobicContact SD-SD 4.39Å; L179-M278 HydrophobicContact CD1-SD 3.82Å; L179-M278 HydrophobicContact CD2-CB 4.42Å; L179-M278 HydrophobicContact CD2-CG 4.42Å; L179-M278 HydrophobicContact CD2-SD 4.23Å; L179-M278 HydrophobicContact CG-CG 4.38Å; L179-M278 HydrophobicContact CG-SD 4.17Å; V259-M278 HydrophobicContact CG1-SD 4.11Å; V274-M278 VanDerWaalsContact O-CB 3.3Å; V274-M278 WeakPolarHBondContact O-CB 3.3Å; V274-M278 PolarHBondContact O-N 2.67Å; V275-M278 PolarHBondContact O-N 2.92Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.14Å; M278-S282 WeakPolarHBondContact O-CB 3.29Å; M278-S282 PolarHBondContact O-N 3.04Å; M278-S282 PolarHBondContact O-OG 3.33Å; M278-L570 HydrophobicContact CE-CD2 3.87Å
279	I	98.2	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-44.4	178.8	-72.2	168.7	0	0	0	110.6	V275 E276 N281 S282 W283 F293 F295 F467 L516	V275-I279 HydrophobicContact CG1-CD1 3.9Å; V275-I279 WeakPolarHBondContact O-CG1 3.48Å; V275-I279 PolarHBondContact O-N 3.48Å; E276-I279 PolarHBondContact O-N 3.12Å; E276-I279 VanDerWaalsContact O-N 3.15Å; I279-N281 PolarHBondContact O-N 3.35Å; I279-S282 PolarHBondContact O-N 3.38Å; I279-W283 HydrophobicContact CG2-CE3 3.98Å; I279-W283 HydrophobicContact CG2-CZ3 4.24Å; I279-W283 WeakPolarHBondContact O-CB 3.46Å; I279-W283 PolarHBondContact O-N 2.96Å; I279-F293 HydrophobicContact CG2-CE1 4.33Å; I279-F293 HydrophobicContact CG2-CZ 4.28Å; I279-F295 HydrophobicContact CD1-CE2 4.03Å; I279-F295 HydrophobicContact CD1-CZ 4.46Å; I279-F295 HydrophobicContact CG2-CZ 4.08Å; I279-F467 HydrophobicContact CD1-CE1 4.08Å; I279-F467 HydrophobicContact CG2-CZ 4.32Å; I279-L516 HydrophobicContact CD1-CD2 3.56Å
280	E	97.4	Very high	95.4	Very high	106 Å²	106	51.1 Å²	51.1	50%	0.495	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-50	177.2	-173.5	176.5	-165	0	0	111.5	E276 S277 S282 W283 F293	E276-E280 WeakPolarHBondContact O-CB 3.39Å; E276-E280 PolarHBondContact O-N 3.05Å; S277-E280 PolarHBondContact O-N 3.25Å; E280-S282 VanDerWaalsContact C-N 3.34Å; E280-S282 PolarHBondContact O-N 3.22Å; E280-W283 WeakPolarHBondContact O-CB 3.16Å; E280-W283 PolarHBondContact O-N 3.08Å; E280-F293 VanDerWaalsContact CA-CZ 3.5Å; E280-F293 HydrophobicContact CB-CD1 4.32Å; E280-F293 HydrophobicContact CB-CD2 4.45Å; E280-F293 HydrophobicContact CB-CE1 3.75Å; E280-F293 HydrophobicContact CB-CE2 3.92Å; E280-F293 HydrophobicContact CB-CZ 3.54Å; E280-F293 HydrophobicContact CG-CD2 4.19Å; E280-F293 HydrophobicContact CG-CE1 4.49Å; E280-F293 HydrophobicContact CG-CE2 3.84Å; E280-F293 HydrophobicContact CG-CZ 4Å
281	N	97.5	Very high	95.3	Very high	87 Å²	87	50.4 Å²	50.4	47%	0.465	28%	0.281	S	S	.	.	H	α-helix	trans	-79.5	-16.3	-174.9	-74.4	-80.1	0	0	0	113.9	H178 S277 I279	H178-N281 HydrophobicContact CB-CB 4.07Å; H178-N281 PolarHBondContact CE1-ND2 3.47Å; H178-N281 WeakPolarHBondContact ND1-CB 3.32Å; S277-N281 WeakPolarHBondContact O-CB 3.48Å; S277-N281 PolarHBondContact O-N 3.15Å; S277-N281 PolarHBondContact O-ND2 3.24Å; I279-N281 PolarHBondContact O-N 3.35Å
282	S	97.6	Very high	95.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-101.8	0.5	173.6	68.5	0	0	0	0	114.1	M175 M278 I279 E280	M175-S282 VanDerWaalsContact CG-CB 3.5Å; M175-S282 WeakPolarHBondContact CG-OG 3.4Å; M278-S282 WeakPolarHBondContact O-CB 3.29Å; M278-S282 PolarHBondContact O-N 3.04Å; M278-S282 PolarHBondContact O-OG 3.33Å; I279-S282 PolarHBondContact O-N 3.38Å; E280-S282 VanDerWaalsContact C-N 3.34Å; E280-S282 PolarHBondContact O-N 3.22Å
283	W	97.6	Very high	94.9	Very high	18 Å²	18	57.8 Å²	57.8	7%	0.068	33%	0.326	C	S	.	.			trans	-59.3	129.2	-177.7	-166.6	-95.2	0	0	0	111.4	I279 E280 K285 H288 P291 F465 F467 L579	I279-W283 HydrophobicContact CG2-CE3 3.98Å; I279-W283 HydrophobicContact CG2-CZ3 4.24Å; I279-W283 WeakPolarHBondContact O-CB 3.46Å; I279-W283 PolarHBondContact O-N 2.96Å; E280-W283 WeakPolarHBondContact O-CB 3.16Å; E280-W283 PolarHBondContact O-N 3.08Å; W283-K285 PolarHBondContact O-N 3.18Å; W283-H288 HydrophobicContact CZ2-CB 4.04Å; W283-H288 PolarHBondContact NE1-O 2.88Å; W283-P291 HydrophobicContact CE3-CG 4.35Å; W283-P291 HydrophobicContact CH2-CG 4.26Å; W283-P291 HydrophobicContact CZ3-CG 4.03Å; W283-F465 HydrophobicContact CH2-CB 4.06Å; W283-F465 AromaticContact CH2-CD1 3.77Å; W283-F465 HydrophobicContact CH2-CD1 3.77Å; W283-F465 AromaticContact CH2-CD2 3.86Å; W283-F465 HydrophobicContact CH2-CD2 3.86Å; W283-F465 HydrophobicContact CH2-CE1 4.08Å; W283-F465 HydrophobicContact CH2-CE2 4.21Å; W283-F465 AromaticContact CH2-CG 3.64Å; W283-F465 HydrophobicContact CH2-CG 3.64Å; W283-F465 HydrophobicContact CH2-CZ 4.32Å; W283-F465 AromaticContact CZ2-CD2 3.94Å; W283-F465 HydrophobicContact CZ2-CD2 3.94Å; W283-F465 HydrophobicContact CZ2-CE2 4.18Å; W283-F465 HydrophobicContact CZ2-CG 4.19Å; W283-F467 HydrophobicContact CH2-CE2 4.01Å; W283-F467 HydrophobicContact CH2-CZ 4.45Å; W283-F467 AromaticContact CZ3-CE2 3.76Å; W283-F467 HydrophobicContact CZ3-CE2 3.76Å; W283-F467 AromaticContact CZ3-CZ 3.89Å; W283-F467 HydrophobicContact CZ3-CZ 3.89Å; W283-L579 HydrophobicContact CE3-CD2 4.4Å; W283-L579 HydrophobicContact CH2-CD2 3.81Å; W283-L579 HydrophobicContact CZ2-CD2 4.19Å; W283-L579 HydrophobicContact CZ3-CD2 3.93Å
284	P	95.1	Very high	94.8	Very high	12 Å²	12	59.9 Å²	59.9	8%	0.078	34%	0.336	C	S	.	.			trans	-70.3	106.5	-176.4	28.5	-35.3	0	0	0	111.8	L167 G286 L287 L579	L167-P284 HydrophobicContact CD1-CB 3.58Å; L167-P284 HydrophobicContact CD1-CG 4.36Å; P284-G286 PolarHBondContact O-N 3.27Å; P284-L287 HydrophobicContact CB-CB 4.13Å; P284-L287 HydrophobicContact CB-CD2 4.23Å; P284-L287 HydrophobicContact CG-CB 4.17Å; P284-L287 HydrophobicContact CG-CD2 3.94Å; P284-L287 PolarHBondContact O-N 3Å; P284-L579 HydrophobicContact CG-CD1 4.12Å; P284-L579 HydrophobicContact CG-CD2 4.06Å
285	K	89.3	Confident	94.8	Very high	210 Å²	210	59.6 Å²	59.6	91%	0.913	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	129	-179.2	-62.7	-174.4	-180	-174.6	0	111.7	W283 L287	W283-K285 PolarHBondContact O-N 3.18Å; K285-L287 PolarHBondContact O-N 3.19Å
286	G	85.2	Confident	94.8	Very high	88 Å²	88	65.6 Å²	65.6	91%	0.907	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-4.1	175	0	0	0	0	0	115.4	P284	P284-G286 PolarHBondContact O-N 3.27Å
287	L	88.9	Confident	94.8	Very high	79 Å²	79	68.8 Å²	68.8	41%	0.414	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-49.8	175.4	-173.3	65.4	0	0	0	111.4	L167 P284 K285 L579	L167-L287 HydrophobicContact CD1-CD2 4.15Å; L167-L287 HydrophobicContact CD2-CD2 3.56Å; P284-L287 HydrophobicContact CB-CB 4.13Å; P284-L287 HydrophobicContact CB-CD2 4.23Å; P284-L287 HydrophobicContact CG-CB 4.17Å; P284-L287 HydrophobicContact CG-CD2 3.94Å; P284-L287 PolarHBondContact O-N 3Å; K285-L287 PolarHBondContact O-N 3.19Å; L287-L579 WeakPolarHBondContact CD2-O 3.16Å
288	H	88.2	Confident	94.8	Very high	37 Å²	37	67.7 Å²	67.7	17%	0.171	37%	0.373	C	S	.	.	S	Bend	trans	-140.4	156.9	178.5	-59	-64.4	0	0	0	110.4	W283 F465 L579	W283-H288 HydrophobicContact CZ2-CB 4.04Å; W283-H288 PolarHBondContact NE1-O 2.88Å; H288-F465 HydrophobicContact CB-CD2 4.36Å; H288-F465 HydrophobicContact CB-CE2 3.82Å; H288-F465 AromaticContact CD2-CE2 3.64Å; H288-F465 AromaticContact CD2-CZ 3.78Å; H288-F465 AromaticContact CG-CE2 3.54Å; H288-L579 PolarHBondContact CD2-O 3.09Å; H288-L579 PolarHBondContact NE2-O 3Å
289	K	91.8	Very high	94.7	Very high	187 Å²	187	69.9 Å²	69.9	81%	0.813	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-60	130.2	166.1	-171.6	-178	176.4	-175.8	0	108.7
290	P	92.7	Very high	94.7	Very high	75 Å²	75	72.5 Å²	72.5	49%	0.487	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-56.3	147.6	173.5	-24.3	33.7	0	0	0	111.7
291	P	94.3	Very high	94.7	Very high	14 Å²	14	74.3 Å²	74.3	9%	0.091	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-67.4	168.9	171.4	33	-36.3	0	0	0	110.5	W283 F293 F295 F465 F467	W283-P291 HydrophobicContact CE3-CG 4.35Å; W283-P291 HydrophobicContact CH2-CG 4.26Å; W283-P291 HydrophobicContact CZ3-CG 4.03Å; P291-F293 HydrophobicContact CG-CE1 4.38Å; P291-F293 HydrophobicContact CG-CE2 3.84Å; P291-F293 HydrophobicContact CG-CZ 3.67Å; P291-F293 WeakPolarHBondContact O-CD2 3.41Å; P291-F293 WeakPolarHBondContact O-CE2 3.44Å; P291-F295 HydrophobicContact CB-CE1 4.12Å; P291-F295 HydrophobicContact CG-CE1 3.86Å; P291-F295 HydrophobicContact CG-CZ 4.28Å; P291-F465 HydrophobicContact CB-CB 4.29Å; P291-F467 HydrophobicContact CB-CD2 3.62Å; P291-F467 HydrophobicContact CB-CE2 3.99Å; P291-F467 HydrophobicContact CG-CD2 3.79Å; P291-F467 HydrophobicContact CG-CE2 3.77Å
292	S	93.6	Very high	94.7	Very high	107 Å²	107	73.1 Å²	73.1	75%	0.748	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-78.4	137	170.5	-66.3	0	0	0	0	110.3	F295	S292-F295 VanDerWaalsContact O-CD1 3.29Å; S292-F295 WeakPolarHBondContact O-CD1 3.45Å
293	F	95.4	Very high	94.7	Very high	56 Å²	56	73 Å²	73	25%	0.246	40%	0.395	C	S	.	.	S	Bend	trans	-116.7	150.8	174.2	-60.2	-89.9	0	0	0	109.9	E276 I279 E280 P291 F295	E276-F293 HydrophobicContact CB-CD1 4.33Å; I279-F293 HydrophobicContact CG2-CE1 4.33Å; I279-F293 HydrophobicContact CG2-CZ 4.28Å; E280-F293 VanDerWaalsContact CA-CZ 3.5Å; E280-F293 HydrophobicContact CB-CD1 4.32Å; E280-F293 HydrophobicContact CB-CD2 4.45Å; E280-F293 HydrophobicContact CB-CE1 3.75Å; E280-F293 HydrophobicContact CB-CE2 3.92Å; E280-F293 HydrophobicContact CB-CZ 3.54Å; E280-F293 HydrophobicContact CG-CD2 4.19Å; E280-F293 HydrophobicContact CG-CE1 4.49Å; E280-F293 HydrophobicContact CG-CE2 3.84Å; E280-F293 HydrophobicContact CG-CZ 4Å; P291-F293 HydrophobicContact CG-CE1 4.38Å; P291-F293 HydrophobicContact CG-CE2 3.84Å; P291-F293 HydrophobicContact CG-CZ 3.67Å; P291-F293 WeakPolarHBondContact O-CD2 3.41Å; P291-F293 WeakPolarHBondContact O-CE2 3.44Å; F293-F295 HydrophobicContact CD1-CD1 4.14Å; F293-F295 AromaticContact CD1-CE1 3.52Å; F293-F295 HydrophobicContact CD1-CE1 3.52Å; F293-F295 AromaticContact CD1-CZ 3.86Å; F293-F295 HydrophobicContact CD1-CZ 3.86Å; F293-F295 HydrophobicContact CE1-CD1 4.42Å; F293-F295 AromaticContact CE1-CE1 3.4Å; F293-F295 HydrophobicContact CE1-CE1 3.4Å; F293-F295 VanDerWaalsContact CE1-CE1 3.4Å; F293-F295 HydrophobicContact CE1-CE2 4.35Å; F293-F295 AromaticContact CE1-CZ 3.36Å; F293-F295 HydrophobicContact CE1-CZ 3.36Å; F293-F295 HydrophobicContact CG-CE1 4.3Å; F293-F295 HydrophobicContact CZ-CE1 4.08Å; F293-F295 HydrophobicContact CZ-CZ 4.14Å
294	P	96.7	Very high	94.7	Very high	102 Å²	102	72.8 Å²	72.8	66%	0.662	40%	0.395	S	S	*	.	S	Bend	cis	-65.8	163.1	-11.2	31.2	-36.2	0	0	0	111.5	E276	E276-P294 WeakPolarHBondContact OE2-CA 3.24Å; E276-P294 WeakPolarHBondContact OE2-CB 3.27Å
295	F	98.1	Very high	94.7	Very high	11 Å²	11	76.3 Å²	76.3	5%	0.048	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-72.2	148.6	177.8	-59.6	-29	0	0	0	110.8	E276 I279 P291 S292 F293 F467 W469 L516	E276-F295 HydrophobicContact CG-CD2 3.55Å; E276-F295 HydrophobicContact CG-CE2 3.83Å; E276-F295 HydrophobicContact CG-CG 4.08Å; E276-F295 PolarHBondContact OE1-N 2.75Å; E276-F295 PolarHBondContact OE2-N 2.72Å; I279-F295 HydrophobicContact CD1-CE2 4.03Å; I279-F295 HydrophobicContact CD1-CZ 4.46Å; I279-F295 HydrophobicContact CG2-CZ 4.08Å; P291-F295 HydrophobicContact CB-CE1 4.12Å; P291-F295 HydrophobicContact CG-CE1 3.86Å; P291-F295 HydrophobicContact CG-CZ 4.28Å; S292-F295 VanDerWaalsContact O-CD1 3.29Å; S292-F295 WeakPolarHBondContact O-CD1 3.45Å; F293-F295 HydrophobicContact CD1-CD1 4.14Å; F293-F295 AromaticContact CD1-CE1 3.52Å; F293-F295 HydrophobicContact CD1-CE1 3.52Å; F293-F295 AromaticContact CD1-CZ 3.86Å; F293-F295 HydrophobicContact CD1-CZ 3.86Å; F293-F295 HydrophobicContact CE1-CD1 4.42Å; F293-F295 AromaticContact CE1-CE1 3.4Å; F293-F295 HydrophobicContact CE1-CE1 3.4Å; F293-F295 VanDerWaalsContact CE1-CE1 3.4Å; F293-F295 HydrophobicContact CE1-CE2 4.35Å; F293-F295 AromaticContact CE1-CZ 3.36Å; F293-F295 HydrophobicContact CE1-CZ 3.36Å; F293-F295 HydrophobicContact CG-CE1 4.3Å; F293-F295 HydrophobicContact CZ-CE1 4.08Å; F293-F295 HydrophobicContact CZ-CZ 4.14Å; F295-F467 HydrophobicContact CB-CB 4.21Å; F295-F467 HydrophobicContact CD1-CB 3.41Å; F295-F467 VanDerWaalsContact CD1-CB 3.41Å; F295-F467 HydrophobicContact CD1-CG 4.11Å; F295-F467 HydrophobicContact CD2-CB 3.69Å; F295-F467 HydrophobicContact CD2-CD1 4.14Å; F295-F467 HydrophobicContact CD2-CG 4.17Å; F295-F467 HydrophobicContact CE1-CB 3.56Å; F295-F467 HydrophobicContact CE1-CD1 4.33Å; F295-F467 AromaticContact CE1-CD2 3.96Å; F295-F467 HydrophobicContact CE1-CD2 3.96Å; F295-F467 AromaticContact CE1-CG 3.71Å; F295-F467 HydrophobicContact CE1-CG 3.71Å; F295-F467 HydrophobicContact CE2-CB 3.81Å; F295-F467 AromaticContact CE2-CD1 3.56Å; F295-F467 HydrophobicContact CE2-CD1 3.56Å; F295-F467 HydrophobicContact CE2-CE1 4.25Å; F295-F467 AromaticContact CE2-CG 3.77Å; F295-F467 HydrophobicContact CE2-CG 3.77Å; F295-F467 HydrophobicContact CG-CB 3.49Å; F295-F467 VanDerWaalsContact CG-CB 3.49Å; F295-F467 HydrophobicContact CG-CG 4.33Å; F295-F467 HydrophobicContact CZ-CB 3.75Å; F295-F467 AromaticContact CZ-CD1 3.67Å; F295-F467 HydrophobicContact CZ-CD1 3.67Å; F295-F467 AromaticContact CZ-CD2 3.94Å; F295-F467 HydrophobicContact CZ-CD2 3.94Å; F295-F467 HydrophobicContact CZ-CE1 4.2Å; F295-F467 HydrophobicContact CZ-CE2 4.43Å; F295-F467 AromaticContact CZ-CG 3.52Å; F295-F467 HydrophobicContact CZ-CG 3.52Å; F295-W469 AromaticContact CD2-NE1 3.89Å; F295-L516 HydrophobicContact CD2-CD1 3.73Å; F295-L516 HydrophobicContact CE2-CD1 4.11Å; F295-L516 HydrophobicContact CE2-CD2 4.48Å
296	Q	97.6	Very high	95.1	Very high	125 Å²	125	69.8 Å²	69.8	58%	0.584	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.4	175.6	-70.6	-179	-27.5	0	0	110.6	L468 W469	Q296-L468 HydrophobicContact CB-CD1 4.07Å; Q296-L468 CarbonylContact O-C 3.57Å; Q296-L468 WeakPolarHBondContact O-CA 3.39Å; Q296-L468 WeakPolarHBondContact O-CD1 3.47Å; Q296-W469 PolarHBondContact O-N 3.48Å
297	T	98.1	Very high	95.7	Very high	91 Å²	91	66.2 Å²	66.2	56%	0.558	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	149	175.1	53.5	0	0	0	0	110.4	W469	T297-W469 CarbonylContact C-O 3.28Å; T297-W469 WeakPolarHBondContact CA-O 2.83Å; T297-W469 HydrophobicContact CG2-CB 3.88Å; T297-W469 HydrophobicContact CG2-CG 4.48Å
298	M	98.2	Very high	96.1	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.069	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	129.9	177.5	-177.5	172.7	-70.4	0	0	110.2	E302 A303 Y307 L468 W469 I470 V471	M298-E302 HydrophobicContact CG-CB 4.03Å; M298-E302 HydrophobicContact CG-CG 4.08Å; M298-E302 HydrophobicContact SD-CG 4.44Å; M298-A303 HydrophobicContact CG-CB 4.1Å; M298-A303 VanDerWaalsContact SD-CA 3.56Å; M298-A303 HydrophobicContact SD-CB 3.7Å; M298-Y307 HydrophobicContact CE-CE2 3.83Å; M298-Y307 HydrophobicContact SD-CD2 4.2Å; M298-Y307 HydrophobicContact SD-CE2 3.8Å; M298-L468 HydrophobicContact CB-CD1 3.77Å; M298-L468 HydrophobicContact CB-CD2 4.16Å; M298-L468 HydrophobicContact CB-CG 4.28Å; M298-L468 HydrophobicContact CE-CD2 4.48Å; M298-L468 HydrophobicContact SD-CD2 4.15Å; M298-W469 PolarHBondContact N-O 3.3Å; M298-I470 HydrophobicContact CB-CD1 4.16Å; M298-I470 VanDerWaalsContact O-CA 3.27Å; M298-I470 WeakPolarHBondContact O-CA 3.4Å; M298-V471 PolarHBondContact O-N 2.82Å
299	P	98.1	Very high	96.5	Very high	45 Å²	45	62.5 Å²	62.5	29%	0.292	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	143.6	172.4	-24	34.9	0	0	0	111.7	K301 E302 A303 V471 D472	P299-K301 VanDerWaalsContact C-N 3.28Å; P299-K301 PolarHBondContact O-N 3.15Å; P299-E302 HydrophobicContact CB-CB 4.28Å; P299-E302 WeakPolarHBondContact O-CA 3.47Å; P299-E302 WeakPolarHBondContact O-CB 3.39Å; P299-E302 PolarHBondContact O-N 3.18Å; P299-A303 PolarHBondContact O-N 3.44Å; P299-V471 CarbonylContact C-O 3.58Å; P299-V471 WeakPolarHBondContact CA-O 3.38Å; P299-D472 HydrophobicContact CB-CB 4.36Å
300	Y	97.8	Very high	96.7	Very high	56 Å²	56	55.4 Å²	55.4	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-49.7	-48.8	178.5	168.2	-96.6	0	0	0	112.1	E302 A303 V304 D310 V471 F473 P474	Y300-E302 VanDerWaalsContact C-N 3.29Å; Y300-E302 PolarHBondContact O-N 3.14Å; Y300-A303 PolarHBondContact O-N 3.09Å; Y300-A303 VanDerWaalsContact O-N 3.13Å; Y300-V304 HydrophobicContact CD2-CG2 4.3Å; Y300-V304 HydrophobicContact CE1-CG2 4.08Å; Y300-V304 HydrophobicContact CE2-CG2 3.89Å; Y300-V304 WeakPolarHBondContact O-CG2 3.26Å; Y300-V304 PolarHBondContact O-N 3.32Å; Y300-D310 HydrophobicContact CD2-CB 3.82Å; Y300-D310 HydrophobicContact CE2-CB 3.74Å; Y300-V471 PolarHBondContact N-O 3Å; Y300-F473 AromaticContact CD2-CD1 3.32Å; Y300-F473 HydrophobicContact CD2-CD1 3.32Å; Y300-F473 AromaticContact CD2-CE1 3.27Å; Y300-F473 HydrophobicContact CD2-CE1 3.27Å; Y300-F473 HydrophobicContact CD2-CG 4.2Å; Y300-F473 HydrophobicContact CD2-CZ 4.12Å; Y300-F473 AromaticContact CE2-CD1 3.89Å; Y300-F473 HydrophobicContact CE2-CD1 3.89Å; Y300-F473 AromaticContact CE2-CE1 3.84Å; Y300-F473 HydrophobicContact CE2-CE1 3.84Å; Y300-F473 AromaticContact CG-CD1 3.8Å; Y300-F473 HydrophobicContact CG-CD1 3.8Å; Y300-F473 HydrophobicContact CG-CE1 4.13Å; Y300-F473 HydrophobicContact CG-CG 4.29Å; Y300-P474 HydrophobicContact CE1-CG 4.36Å
301	K	96.1	Very high	96.9	Very high	143 Å²	143	55.8 Å²	55.8	62%	0.622	29%	0.29	S	S	*	.	H	α-helix	trans	-59.4	-41.1	179.3	-173.7	176.2	-179.9	179	0	111.8	P299 Q305	P299-K301 VanDerWaalsContact C-N 3.28Å; P299-K301 PolarHBondContact O-N 3.15Å; K301-Q305 VanDerWaalsContact CE-NE2 3.34Å; K301-Q305 HydrophobicContact CG-CG 4.5Å; K301-Q305 VanDerWaalsContact O-CB 3.31Å; K301-Q305 WeakPolarHBondContact O-CB 3.43Å; K301-Q305 WeakPolarHBondContact O-CG 3.46Å; K301-Q305 PolarHBondContact O-N 2.71Å
302	E	97.5	Very high	97.1	Very high	63 Å²	63	55.1 Å²	55.1	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-40.2	177.2	-176	-178.8	153.5	0	0	111.6	M298 P299 Y300 Q305 K306	M298-E302 HydrophobicContact CG-CB 4.03Å; M298-E302 HydrophobicContact CG-CG 4.08Å; M298-E302 HydrophobicContact SD-CG 4.44Å; P299-E302 HydrophobicContact CB-CB 4.28Å; P299-E302 WeakPolarHBondContact O-CA 3.47Å; P299-E302 WeakPolarHBondContact O-CB 3.39Å; P299-E302 PolarHBondContact O-N 3.18Å; Y300-E302 VanDerWaalsContact C-N 3.29Å; Y300-E302 PolarHBondContact O-N 3.14Å; E302-Q305 PolarHBondContact O-N 3.48Å; E302-K306 HydrophobicContact CG-CD 3.85Å; E302-K306 HydrophobicContact CG-CG 4.27Å; E302-K306 WeakPolarHBondContact O-CB 3.43Å; E302-K306 WeakPolarHBondContact O-CG 3.44Å; E302-K306 PolarHBondContact O-N 2.89Å; E302-K306 WeakPolarHBondContact OE1-CE 3.23Å; E302-K306 IonicContact OE1-NZ 2.89Å; E302-K306 PolarHBondContact OE1-NZ 3.45Å
303	A	98	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-46.9	178.2	0	0	0	0	0	112	M298 P299 Y300 K306 Y307 T309 I470	M298-A303 HydrophobicContact CG-CB 4.1Å; M298-A303 VanDerWaalsContact SD-CA 3.56Å; M298-A303 HydrophobicContact SD-CB 3.7Å; P299-A303 PolarHBondContact O-N 3.44Å; Y300-A303 PolarHBondContact O-N 3.09Å; Y300-A303 VanDerWaalsContact O-N 3.13Å; A303-K306 PolarHBondContact O-N 3.29Å; A303-Y307 WeakPolarHBondContact O-CB 3.15Å; A303-Y307 PolarHBondContact O-N 2.65Å; A303-T309 CarbonylContact C-O 3.55Å; A303-I470 HydrophobicContact CB-CD1 3.82Å
304	V	97	Very high	97.3	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.7	176.1	178.3	0	0	0	0	110.7	Y300 K306 G308 E420	Y300-V304 HydrophobicContact CD2-CG2 4.3Å; Y300-V304 HydrophobicContact CE1-CG2 4.08Å; Y300-V304 HydrophobicContact CE2-CG2 3.89Å; Y300-V304 WeakPolarHBondContact O-CG2 3.26Å; Y300-V304 PolarHBondContact O-N 3.32Å; V304-K306 PolarHBondContact O-N 2.88Å; V304-G308 WeakPolarHBondContact O-CA 3.19Å; V304-G308 PolarHBondContact O-N 3.46Å; V304-E420 HydrophobicContact CG1-CB 4.31Å; V304-E420 VanDerWaalsContact CG1-OE2 3.25Å; V304-E420 WeakPolarHBondContact CG1-OE2 3.45Å
305	Q	96.5	Very high	97.3	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.402	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-41.9	178.8	-75.2	175.3	-18.7	0	0	113.3	K301 E302 L320	K301-Q305 VanDerWaalsContact CE-NE2 3.34Å; K301-Q305 HydrophobicContact CG-CG 4.5Å; K301-Q305 VanDerWaalsContact O-CB 3.31Å; K301-Q305 WeakPolarHBondContact O-CB 3.43Å; K301-Q305 WeakPolarHBondContact O-CG 3.46Å; K301-Q305 PolarHBondContact O-N 2.71Å; E302-Q305 PolarHBondContact O-N 3.48Å; Q305-L320 WeakPolarHBondContact O-CB 3.39Å
306	K	97.3	Very high	97.1	Very high	72 Å²	72	46.2 Å²	46.2	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-83.1	-26.9	-176.6	-73.6	-174.7	176	174.8	0	113.8	E302 A303 V304 Q319 L320	E302-K306 HydrophobicContact CG-CD 3.85Å; E302-K306 HydrophobicContact CG-CG 4.27Å; E302-K306 WeakPolarHBondContact O-CB 3.43Å; E302-K306 WeakPolarHBondContact O-CG 3.44Å; E302-K306 PolarHBondContact O-N 2.89Å; E302-K306 WeakPolarHBondContact OE1-CE 3.23Å; E302-K306 IonicContact OE1-NZ 2.89Å; E302-K306 PolarHBondContact OE1-NZ 3.45Å; A303-K306 PolarHBondContact O-N 3.29Å; V304-K306 PolarHBondContact O-N 2.88Å; K306-Q319 CarbonylContact O-C 3.35Å; K306-Q319 VanDerWaalsContact O-CA 3.3Å; K306-Q319 WeakPolarHBondContact O-CA 3.36Å; K306-L320 PolarHBondContact O-N 2.89Å
307	Y	97.9	Very high	96.8	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-131.8	-7.8	-168.2	-60.1	-74.2	0	0	0	114.9	M298 A303 T309 P312 R314 Q319 G424 R427	M298-Y307 HydrophobicContact CE-CE2 3.83Å; M298-Y307 HydrophobicContact SD-CD2 4.2Å; M298-Y307 HydrophobicContact SD-CE2 3.8Å; A303-Y307 WeakPolarHBondContact O-CB 3.15Å; A303-Y307 PolarHBondContact O-N 2.65Å; Y307-T309 PolarHBondContact O-N 3.17Å; Y307-P312 HydrophobicContact CD1-CB 4Å; Y307-P312 HydrophobicContact CD2-CB 3.64Å; Y307-P312 HydrophobicContact CD2-CG 4.02Å; Y307-P312 HydrophobicContact CE2-CB 4.27Å; Y307-P312 HydrophobicContact CE2-CG 4.46Å; Y307-P312 HydrophobicContact CG-CB 3.48Å; Y307-P312 VanDerWaalsContact CG-CB 3.48Å; Y307-P312 HydrophobicContact CG-CG 4.35Å; Y307-R314 HydrophobicContact CE1-CG 4.29Å; Y307-Q319 HydrophobicContact CE1-CG 3.89Å; Y307-G424 WeakPolarHBondContact O-CA 3.35Å; Y307-R427 PolarHBondContact O-NH1 3.22Å
308	G	97	Very high	96.7	Very high	3 Å²	3	42 Å²	42	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	76.2	8.2	-176.4	0	0	0	0	0	114.5	V304 E420 Q421	V304-G308 WeakPolarHBondContact O-CA 3.19Å; V304-G308 PolarHBondContact O-N 3.46Å; G308-E420 WeakPolarHBondContact CA-O 3.5Å; G308-Q421 WeakPolarHBondContact O-CA 3.44Å
309	T	96.8	Very high	96.6	Very high	34 Å²	34	44.4 Å²	44.4	21%	0.209	21%	0.21	C	C	.	.	S	Bend	trans	-161	150.6	-176.5	-179.6	0	0	0	0	111	A303 Y307 K311	A303-T309 CarbonylContact C-O 3.55Å; Y307-T309 PolarHBondContact O-N 3.17Å; T309-K311 VanDerWaalsContact C-N 3.25Å; T309-K311 PolarHBondContact O-N 3.48Å; T309-K311 VanDerWaalsContact OG1-CG 3.28Å; T309-K311 WeakPolarHBondContact OG1-CG 3.48Å; T309-K311 PolarHBondContact OG1-N 2.95Å; T309-K311 VanDerWaalsContact OG1-N 3.09Å
310	D	96.4	Very high	96.5	Very high	39 Å²	39	43 Å²	43	21%	0.209	20%	0.2	C	C	.	.	S	Bend	trans	-73	-8.4	167.3	61.2	-14.4	0	0	0	114.1	Y300 P312 I470 F473	Y300-D310 HydrophobicContact CD2-CB 3.82Å; Y300-D310 HydrophobicContact CE2-CB 3.74Å; D310-P312 VanDerWaalsContact O-CD 3.32Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å; D310-I470 VanDerWaalsContact O-CG1 3.25Å; D310-I470 WeakPolarHBondContact O-CG1 3.15Å; D310-F473 HydrophobicContact CB-CE1 4.38Å
311	K	97.2	Very high	96.4	Very high	82 Å²	82	42.6 Å²	42.6	36%	0.357	20%	0.2	S	C	.	.	S	Bend	trans	-121.5	65.7	175.4	48	172.5	157.1	-68	0	111.4	T309 V517 G520 E522	T309-K311 VanDerWaalsContact C-N 3.25Å; T309-K311 PolarHBondContact O-N 3.48Å; T309-K311 VanDerWaalsContact OG1-CG 3.28Å; T309-K311 WeakPolarHBondContact OG1-CG 3.48Å; T309-K311 PolarHBondContact OG1-N 2.95Å; T309-K311 VanDerWaalsContact OG1-N 3.09Å; K311-V517 HydrophobicContact CB-CG1 4.01Å; K311-V517 HydrophobicContact CB-CG2 4.14Å; K311-G520 WeakPolarHBondContact O-CA 2.99Å; K311-E522 HydrophobicContact CB-CB 4.47Å
312	P	97.5	Very high	96.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.19	C	C	.	.			trans	-69.8	137.4	-173.3	29.2	-36.6	0	0	0	112.6	Y307 D310 R314 L468 G520	Y307-P312 HydrophobicContact CD1-CB 4Å; Y307-P312 HydrophobicContact CD2-CB 3.64Å; Y307-P312 HydrophobicContact CD2-CG 4.02Å; Y307-P312 HydrophobicContact CE2-CB 4.27Å; Y307-P312 HydrophobicContact CE2-CG 4.46Å; Y307-P312 HydrophobicContact CG-CB 3.48Å; Y307-P312 VanDerWaalsContact CG-CB 3.48Å; Y307-P312 HydrophobicContact CG-CG 4.35Å; D310-P312 VanDerWaalsContact O-CD 3.32Å; D310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-R314 HydrophobicContact CB-CG 4.2Å; P312-R314 HydrophobicContact CG-CG 4.28Å; P312-L468 HydrophobicContact CG-CD2 3.69Å; P312-G520 PolarHBondContact O-N 3.48Å
313	D	97.3	Very high	96	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.179	C	C	.	.			trans	-81.9	110.7	157.4	-168.7	-3.3	0	0	0	108.7	R315 F316 R427 R461	D313-R315 WeakPolarHBondContact OD1-CB 3.39Å; D313-R315 WeakPolarHBondContact OD1-CG 3.39Å; D313-R315 IonicContact OD1-CZ 2.69Å; D313-R315 PolarHBondContact OD1-N 3.04Å; D313-R315 IonicContact OD1-NE 3.35Å; D313-R315 PolarHBondContact OD1-NE 2.74Å; D313-R315 IonicContact OD1-NH2 3.7Å; D313-R315 IonicContact OD2-CZ 2.7Å; D313-R315 IonicContact OD2-NE 3.77Å; D313-R315 PolarHBondContact OD2-NE 3.38Å; D313-R315 IonicContact OD2-NH2 2.9Å; D313-R315 PolarHBondContact OD2-NH2 3.22Å; D313-F316 HydrophobicContact CB-CE1 3.86Å; D313-F316 HydrophobicContact CB-CZ 4.41Å; D313-R427 PolarHBondContact O-NH2 2.9Å; D313-R461 IonicContact OD2-CZ 3.42Å; D313-R461 IonicContact OD2-NE 3.67Å; D313-R461 PolarHBondContact OD2-NE 3.36Å; D313-R461 IonicContact OD2-NH2 2.66Å
314	R	96.4	Very high	95.6	Very high	19 Å²	19	38.8 Å²	38.8	7%	0.072	19%	0.189	C	C	.	.			trans	-97.6	4.7	-178.2	-64.5	-173.5	-60.7	155.9	13.3	113.4	Y307 P312 F316 R462 E466 F467	Y307-R314 HydrophobicContact CE1-CG 4.29Å; P312-R314 HydrophobicContact CB-CG 4.2Å; P312-R314 HydrophobicContact CG-CG 4.28Å; R314-F316 PolarHBondContact O-N 3.27Å; R314-R462 PolarHBondContact O-NH2 3.44Å; R314-E466 HydrophobicContact CB-CB 4.23Å; R314-E466 PolarHBondContact NH2-O 3.46Å; R314-F467 PolarHBondContact NH2-O 3.15Å
315	R	95.8	Very high	95.3	Very high	55 Å²	55	44.5 Å²	44.5	21%	0.208	21%	0.214	C	C	.	.	S	Bend	trans	-64.8	-10.8	177.6	-69.7	175.9	-68.8	174.5	-1.7	113.2	D313 R461 R462 S464 E466	D313-R315 WeakPolarHBondContact OD1-CB 3.39Å; D313-R315 WeakPolarHBondContact OD1-CG 3.39Å; D313-R315 IonicContact OD1-CZ 2.69Å; D313-R315 PolarHBondContact OD1-N 3.04Å; D313-R315 IonicContact OD1-NE 3.35Å; D313-R315 PolarHBondContact OD1-NE 2.74Å; D313-R315 IonicContact OD1-NH2 3.7Å; D313-R315 IonicContact OD2-CZ 2.7Å; D313-R315 IonicContact OD2-NE 3.77Å; D313-R315 PolarHBondContact OD2-NE 3.38Å; D313-R315 IonicContact OD2-NH2 2.9Å; D313-R315 PolarHBondContact OD2-NH2 3.22Å; R315-R461 HydrophobicContact CB-CB 3.87Å; R315-R461 HydrophobicContact CB-CG 4.1Å; R315-R462 HydrophobicContact CB-CB 4.43Å; R315-R462 WeakPolarHBondContact CD-O 3.42Å; R315-R462 WeakPolarHBondContact O-CB 3.44Å; R315-R462 VanDerWaalsContact O-CG 3.25Å; R315-R462 WeakPolarHBondContact O-CG 3.4Å; R315-R462 PolarHBondContact O-N 2.97Å; R315-R462 PolarHBondContact O-NE 2.67Å; R315-S464 WeakPolarHBondContact CD-O 3.43Å; R315-E466 HydrophobicContact CG-CG 3.83Å
316	F	95.2	Very high	94.8	Very high	9 Å²	9	43 Å²	43	4%	0.039	21%	0.209	C	C	.	.	S	Bend	trans	-139.9	147.5	174.1	58.6	-82.8	0	0	0	109.7	D313 R314 W318 R427 A431 I460 R461	D313-F316 HydrophobicContact CB-CE1 3.86Å; D313-F316 HydrophobicContact CB-CZ 4.41Å; R314-F316 PolarHBondContact O-N 3.27Å; F316-W318 HydrophobicContact CD2-CB 3.8Å; F316-W318 AromaticContact CD2-CD2 3.44Å; F316-W318 HydrophobicContact CD2-CD2 3.44Å; F316-W318 VanDerWaalsContact CD2-CD2 3.44Å; F316-W318 AromaticContact CD2-CE3 3.67Å; F316-W318 HydrophobicContact CD2-CE3 3.67Å; F316-W318 AromaticContact CD2-CG 3.52Å; F316-W318 HydrophobicContact CD2-CG 3.52Å; F316-W318 HydrophobicContact CD2-CZ3 4.43Å; F316-W318 HydrophobicContact CE2-CB 4.03Å; F316-W318 AromaticContact CE2-CD2 3.82Å; F316-W318 HydrophobicContact CE2-CD2 3.82Å; F316-W318 AromaticContact CE2-CE3 3.55Å; F316-W318 HydrophobicContact CE2-CE3 3.55Å; F316-W318 HydrophobicContact CE2-CG 4.06Å; F316-W318 HydrophobicContact CE2-CZ3 4.28Å; F316-W318 HydrophobicContact CG-CD2 4.47Å; F316-W318 PolarHBondContact O-N 3.29Å; F316-R427 HydrophobicContact CE2-CB 4.1Å; F316-R427 VanDerWaalsContact CE2-NH2 3.28Å; F316-R427 HydrophobicContact CZ-CB 4.34Å; F316-A431 HydrophobicContact CE1-CB 4.24Å; F316-A431 HydrophobicContact CZ-CB 4.2Å; F316-I460 HydrophobicContact CB-CG2 3.85Å; F316-I460 HydrophobicContact CD1-CG2 4.3Å; F316-I460 HydrophobicContact CD2-CG2 4.39Å; F316-I460 HydrophobicContact CG-CG2 3.94Å; F316-R461 HydrophobicContact CD1-CG 3.79Å; F316-R461 HydrophobicContact CE1-CG 4.26Å
317	D	91.2	Very high	94.1	Very high	118 Å²	118	40.5 Å²	40.5	63%	0.631	20%	0.2	S	C	*	.			trans	-100.4	46.3	-168.8	-165.8	31.1	0	0	0	113	Q319	D317-Q319 VanDerWaalsContact C-N 3.3Å; D317-Q319 PolarHBondContact O-N 3.33Å; D317-Q319 VanDerWaalsContact O-N 3.17Å; D317-Q319 WeakPolarHBondContact OD1-CG 3.39Å; D317-Q319 PolarHBondContact OD1-NE2 3.05Å
318	W	94.8	Very high	93.4	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.038	22%	0.22	C	C	.	.			trans	-88.4	68.9	177	-57.9	-10	0	0	0	110	F316 F336 A338 K339 L346 R427 L430 A431 Y434 I460	F316-W318 HydrophobicContact CD2-CB 3.8Å; F316-W318 AromaticContact CD2-CD2 3.44Å; F316-W318 HydrophobicContact CD2-CD2 3.44Å; F316-W318 VanDerWaalsContact CD2-CD2 3.44Å; F316-W318 AromaticContact CD2-CE3 3.67Å; F316-W318 HydrophobicContact CD2-CE3 3.67Å; F316-W318 AromaticContact CD2-CG 3.52Å; F316-W318 HydrophobicContact CD2-CG 3.52Å; F316-W318 HydrophobicContact CD2-CZ3 4.43Å; F316-W318 HydrophobicContact CE2-CB 4.03Å; F316-W318 AromaticContact CE2-CD2 3.82Å; F316-W318 HydrophobicContact CE2-CD2 3.82Å; F316-W318 AromaticContact CE2-CE3 3.55Å; F316-W318 HydrophobicContact CE2-CE3 3.55Å; F316-W318 HydrophobicContact CE2-CG 4.06Å; F316-W318 HydrophobicContact CE2-CZ3 4.28Å; F316-W318 HydrophobicContact CG-CD2 4.47Å; F316-W318 PolarHBondContact O-N 3.29Å; W318-F336 HydrophobicContact CB-CD2 3.98Å; W318-F336 HydrophobicContact CE3-CD2 4.36Å; W318-F336 AromaticContact CE3-CE2 3.96Å; W318-F336 HydrophobicContact CE3-CE2 3.96Å; W318-A338 HydrophobicContact CD2-CB 3.99Å; W318-A338 HydrophobicContact CE3-CB 4.1Å; W318-A338 HydrophobicContact CH2-CB 3.89Å; W318-A338 HydrophobicContact CZ2-CB 3.75Å; W318-A338 HydrophobicContact CZ3-CB 4.08Å; W318-K339 WeakPolarHBondContact CZ2-O 3.26Å; W318-K339 PolarHBondContact NE1-O 2.87Å; W318-L346 HydrophobicContact CH2-CD1 4.35Å; W318-L346 HydrophobicContact CZ2-CD1 3.92Å; W318-R427 WeakPolarHBondContact O-CD 3.07Å; W318-R427 PolarHBondContact O-NE 3.19Å; W318-L430 HydrophobicContact CH2-CG 4.4Å; W318-L430 HydrophobicContact CZ3-CB 4.13Å; W318-L430 HydrophobicContact CZ3-CD2 4.13Å; W318-L430 HydrophobicContact CZ3-CG 4.12Å; W318-A431 HydrophobicContact CH2-CB 4.15Å; W318-A431 HydrophobicContact CZ3-CB 3.92Å; W318-Y434 HydrophobicContact CH2-CD2 4.16Å; W318-Y434 HydrophobicContact CH2-CE2 4.48Å; W318-I460 HydrophobicContact CH2-CB 4.47Å; W318-I460 HydrophobicContact CH2-CD1 4.12Å; W318-I460 HydrophobicContact CH2-CG1 4.1Å; W318-I460 HydrophobicContact CH2-CG2 3.54Å; W318-I460 HydrophobicContact CZ2-CB 4.36Å; W318-I460 HydrophobicContact CZ2-CD1 3.79Å; W318-I460 HydrophobicContact CZ2-CG1 4.14Å; W318-I460 HydrophobicContact CZ2-CG2 3.37Å; W318-I460 HydrophobicContact CZ3-CG2 4.28Å
319	Q	96.4	Very high	92.8	Very high	65 Å²	65	51.7 Å²	51.7	30%	0.304	26%	0.264	S	S	.	.			trans	-73.6	150.9	-179.4	-64.1	-179.6	24.4	0	0	111.7	K306 Y307 D317 F336	K306-Q319 CarbonylContact O-C 3.35Å; K306-Q319 VanDerWaalsContact O-CA 3.3Å; K306-Q319 WeakPolarHBondContact O-CA 3.36Å; Y307-Q319 HydrophobicContact CE1-CG 3.89Å; D317-Q319 VanDerWaalsContact C-N 3.3Å; D317-Q319 PolarHBondContact O-N 3.33Å; D317-Q319 VanDerWaalsContact O-N 3.17Å; D317-Q319 WeakPolarHBondContact OD1-CG 3.39Å; D317-Q319 PolarHBondContact OD1-NE2 3.05Å; Q319-F336 WeakPolarHBondContact O-CB 3.34Å
320	L	96.8	Very high	92.2	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	28%	0.282	C	S	.	.			trans	-72.9	142.3	172.7	-50.6	-170.4	0	0	0	110	Q305 K306 I335 F336 E420 L423	Q305-L320 WeakPolarHBondContact O-CB 3.39Å; K306-L320 PolarHBondContact O-N 2.89Å; L320-I335 CarbonylContact C-O 3.56Å; L320-I335 VanDerWaalsContact CA-O 3.27Å; L320-I335 WeakPolarHBondContact CA-O 3.41Å; L320-F336 HydrophobicContact CD2-CB 4.02Å; L320-F336 HydrophobicContact CD2-CD1 3.91Å; L320-F336 HydrophobicContact CD2-CG 4.39Å; L320-E420 HydrophobicContact CD1-CB 4.46Å; L320-E420 HydrophobicContact CD1-CG 4.45Å; L320-L423 HydrophobicContact CD1-CB 4.07Å; L320-L423 HydrophobicContact CD1-CD1 4.34Å; L320-L423 HydrophobicContact CD2-CB 3.56Å; L320-L423 HydrophobicContact CD2-CD1 4.13Å; L320-L423 HydrophobicContact CD2-CG 4.45Å; L320-L423 HydrophobicContact CG-CB 4.49Å
321	M	94.9	Very high	91.9	Very high	47 Å²	47	55 Å²	55	23%	0.232	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.3	173.7	-68.1	176.8	-71.8	0	0	107.8	F323 S334 I335 L337 L399 R403	M321-F323 HydrophobicContact CB-CD2 4.35Å; M321-F323 HydrophobicContact CB-CE2 3.74Å; M321-F323 WeakPolarHBondContact O-CD2 3.48Å; M321-S334 VanDerWaalsContact O-CA 3.26Å; M321-S334 WeakPolarHBondContact O-CA 3.46Å; M321-I335 HydrophobicContact CB-CG1 4.1Å; M321-I335 HydrophobicContact CE-CD1 3.95Å; M321-I335 HydrophobicContact CE-CG1 3.89Å; M321-I335 PolarHBondContact N-O 2.86Å; M321-I335 PolarHBondContact O-N 2.69Å; M321-L337 HydrophobicContact CE-CD1 3.85Å; M321-L337 HydrophobicContact CE-CG 3.71Å; M321-L399 HydrophobicContact CE-CD2 3.86Å; M321-L399 HydrophobicContact SD-CD2 4.15Å; M321-R403 PolarHBondContact SD-NH1 2.79Å
322	N	93.5	Very high	91.7	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.1	-179.4	-178.9	-75.6	0	0	0	110.9	D324	N322-D324 PolarHBondContact ND2-OD1 2.68Å; N322-D324 VanDerWaalsContact ND2-OD1 3.14Å; N322-D324 PolarHBondContact ND2-OD2 3.48Å; N322-D324 WeakPolarHBondContact OD1-CB 3.42Å; N322-D324 PolarHBondContact OD1-N 2.94Å
323	F	91.7	Very high	91.4	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.061	28%	0.284	C	S	.	.			trans	-127.9	25.8	-180	-77.5	-78.8	0	0	0	112.1	M321 H325 L326 S333 I335 I395 S398 L399	M321-F323 HydrophobicContact CB-CD2 4.35Å; M321-F323 HydrophobicContact CB-CE2 3.74Å; M321-F323 WeakPolarHBondContact O-CD2 3.48Å; F323-H325 AromaticContact CD1-CE1 3.59Å; F323-H325 PolarHBondContact O-N 3.34Å; F323-H325 VanDerWaalsContact O-N 3.16Å; F323-L326 HydrophobicContact CB-CD1 4.42Å; F323-L326 HydrophobicContact CD1-CD1 3.56Å; F323-L326 HydrophobicContact CD1-CG 4.24Å; F323-L326 HydrophobicContact CE1-CD1 4.28Å; F323-L326 HydrophobicContact CG-CD1 4.38Å; F323-L326 PolarHBondContact O-N 3.26Å; F323-S333 PolarHBondContact N-O 2.82Å; F323-I335 HydrophobicContact CD2-CD1 4.05Å; F323-I335 HydrophobicContact CD2-CG1 3.89Å; F323-I335 HydrophobicContact CD2-CG2 4.22Å; F323-I335 HydrophobicContact CE2-CD1 3.41Å; F323-I335 VanDerWaalsContact CE2-CD1 3.41Å; F323-I335 HydrophobicContact CE2-CG1 3.57Å; F323-I335 HydrophobicContact CZ-CD1 4.16Å; F323-I395 HydrophobicContact CB-CD1 4.45Å; F323-I395 HydrophobicContact CD1-CG1 3.93Å; F323-I395 HydrophobicContact CE1-CG1 4.26Å; F323-I395 HydrophobicContact CE1-CG2 4.49Å; F323-I395 HydrophobicContact CE2-CG2 4.36Å; F323-I395 HydrophobicContact CG-CD1 4.35Å; F323-I395 HydrophobicContact CG-CG1 4.08Å; F323-I395 HydrophobicContact CZ-CG2 4.23Å; F323-S398 WeakPolarHBondContact CE1-OG 3.34Å; F323-S398 WeakPolarHBondContact CZ-OG 3.45Å; F323-L399 HydrophobicContact CZ-CD2 4.47Å
324	D	90.8	Very high	91.3	Very high	37 Å²	37	53.3 Å²	53.3	20%	0.198	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.5	179.5	-65.6	-0.5	0	0	0	111.5	N322 L326 C327 H332 S333	N322-D324 PolarHBondContact ND2-OD1 2.68Å; N322-D324 VanDerWaalsContact ND2-OD1 3.14Å; N322-D324 PolarHBondContact ND2-OD2 3.48Å; N322-D324 WeakPolarHBondContact OD1-CB 3.42Å; N322-D324 PolarHBondContact OD1-N 2.94Å; D324-L326 PolarHBondContact O-N 2.86Å; D324-L326 VanDerWaalsContact O-N 3.1Å; D324-C327 PolarHBondContact O-N 2.95Å; D324-H332 VanDerWaalsContact OD1-CA 3.27Å; D324-H332 WeakPolarHBondContact OD1-CA 3.36Å; D324-H332 IonicContact OD1-ND1 2.66Å; D324-H332 IonicContact OD2-CE1 3.79Å; D324-H332 IonicContact OD2-CG 2.75Å; D324-H332 IonicContact OD2-ND1 3.82Å; D324-H332 PolarHBondContact OD2-ND1 2.89Å; D324-S333 PolarHBondContact OD1-N 3.03Å; D324-S333 VanDerWaalsContact OD1-O 3.11Å
325	H	90	Very high	91.2	Very high	134 Å²	134	52.4 Å²	52.4	62%	0.62	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-63.3	-13.3	176.2	66.9	-82.3	0	0	0	114.8	F323	F323-H325 AromaticContact CD1-CE1 3.59Å; F323-H325 PolarHBondContact O-N 3.34Å; F323-H325 VanDerWaalsContact O-N 3.16Å
326	L	86.4	Confident	91.2	Very high	55 Å²	55	49.8 Å²	49.8	29%	0.288	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-98.6	-11.5	173.9	-58.6	-178.7	0	0	0	112.6	F323 D324 M391 A394 I395	F323-L326 HydrophobicContact CB-CD1 4.42Å; F323-L326 HydrophobicContact CD1-CD1 3.56Å; F323-L326 HydrophobicContact CD1-CG 4.24Å; F323-L326 HydrophobicContact CE1-CD1 4.28Å; F323-L326 HydrophobicContact CG-CD1 4.38Å; F323-L326 PolarHBondContact O-N 3.26Å; D324-L326 PolarHBondContact O-N 2.86Å; D324-L326 VanDerWaalsContact O-N 3.1Å; L326-M391 HydrophobicContact CB-CG 4Å; L326-M391 HydrophobicContact CB-SD 4.45Å; L326-M391 WeakPolarHBondContact O-CE 3.34Å; L326-A394 HydrophobicContact CD1-CB 4.02Å; L326-A394 HydrophobicContact CD2-CB 4.32Å; L326-I395 HydrophobicContact CD1-CG1 3.6Å
327	C	82.7	Confident	91.1	Very high	18 Å²	18	50.2 Å²	50.2	12%	0.122	27%	0.274	C	S	.	.	S	Bend	trans	-90.8	155.8	-175.6	-59.3	0	0	0	0	111.6	D324 E331 S333 M391	D324-C327 PolarHBondContact O-N 2.95Å; C327-E331 HydrophobicContact CB-CB 3.97Å; C327-S333 WeakPolarHBondContact SG-CB 3.49Å; C327-M391 HydrophobicContact CB-CE 4.32Å
328	P	82.7	Confident	91.2	Very high	76 Å²	76	44.6 Å²	44.6	49%	0.494	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-55.8	155.5	166.2	-21.8	33.1	0	0	0	112.3	G330 E331	P328-G330 PolarHBondContact O-N 3.14Å; P328-E331 PolarHBondContact O-N 3.02Å; P328-E331 VanDerWaalsContact O-N 3.07Å
329	D	84.3	Confident	90.9	Very high	177 Å²	177	47.3 Å²	47.3	95%	0.947	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	124.2	177.2	-73.6	-28	0	0	0	111.5
330	G	84.7	Confident	90.6	Very high	56 Å²	56	44.9 Å²	44.9	58%	0.577	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.8	-4.7	179	0	0	0	0	0	115.1	P328	P328-G330 PolarHBondContact O-N 3.14Å
331	E	89.6	Confident	90.2	Very high	87 Å²	87	48 Å²	48	41%	0.407	26%	0.26	S	S	.	.			trans	-98.8	146.8	169.3	-70.5	-175.8	-174.9	0	0	111.3	C327 P328	C327-E331 HydrophobicContact CB-CB 3.97Å; P328-E331 PolarHBondContact O-N 3.02Å; P328-E331 VanDerWaalsContact O-N 3.07Å
332	H	92.4	Very high	89.7	Confident	47 Å²	47	52.2 Å²	52.2	22%	0.218	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.3	178.9	-63.8	-78.6	0	0	0	109.5	D324 C412 S413 Q416 V419	D324-H332 VanDerWaalsContact OD1-CA 3.27Å; D324-H332 WeakPolarHBondContact OD1-CA 3.36Å; D324-H332 IonicContact OD1-ND1 2.66Å; D324-H332 IonicContact OD2-CE1 3.79Å; D324-H332 IonicContact OD2-CG 2.75Å; D324-H332 IonicContact OD2-ND1 3.82Å; D324-H332 PolarHBondContact OD2-ND1 2.89Å; H332-C412 CarbonylContact O-C 3.47Å; H332-C412 VanDerWaalsContact O-CA 3.23Å; H332-C412 WeakPolarHBondContact O-CA 3.49Å; H332-C412 PolarHBondContact O-SG 2.88Å; H332-C412 VanDerWaalsContact O-SG 3.36Å; H332-S413 PolarHBondContact N-O 2.67Å; H332-S413 PolarHBondContact O-N 3.36Å; H332-Q416 HydrophobicContact CB-CB 4.17Å; H332-Q416 PolarHBondContact CD2-N 3.14Å; H332-V419 HydrophobicContact CB-CG2 4.28Å
333	S	92.6	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.1	178.3	-178.1	0	0	0	0	111	F323 D324 C327 A411	F323-S333 PolarHBondContact N-O 2.82Å; D324-S333 PolarHBondContact OD1-N 3.03Å; D324-S333 VanDerWaalsContact OD1-O 3.11Å; C327-S333 WeakPolarHBondContact SG-CB 3.49Å; S333-A411 WeakPolarHBondContact CA-O 3.48Å; S333-A411 PolarHBondContact OG-O 3.45Å
334	S	95.1	Very high	88.7	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.035	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.2	174	-68.8	0	0	0	0	110.4	M321 A411 L423	M321-S334 VanDerWaalsContact O-CA 3.26Å; M321-S334 WeakPolarHBondContact O-CA 3.46Å; S334-A411 PolarHBondContact N-O 3.3Å; S334-A411 VanDerWaalsContact N-O 3.13Å; S334-A411 PolarHBondContact O-N 3.08Å; S334-L423 VanDerWaalsContact C-CD1 3.48Å; S334-L423 VanDerWaalsContact CB-CD1 3.47Å; S334-L423 VanDerWaalsContact O-CD1 3.25Å; S334-L423 WeakPolarHBondContact O-CD1 3.44Å
335	I	94.1	Very high	88.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.5	177.6	74.4	175.8	0	0	0	111	L320 M321 F323 I395 L399 M408 V409 V410	L320-I335 CarbonylContact C-O 3.56Å; L320-I335 VanDerWaalsContact CA-O 3.27Å; L320-I335 WeakPolarHBondContact CA-O 3.41Å; M321-I335 HydrophobicContact CB-CG1 4.1Å; M321-I335 HydrophobicContact CE-CD1 3.95Å; M321-I335 HydrophobicContact CE-CG1 3.89Å; M321-I335 PolarHBondContact N-O 2.86Å; M321-I335 PolarHBondContact O-N 2.69Å; F323-I335 HydrophobicContact CD2-CD1 4.05Å; F323-I335 HydrophobicContact CD2-CG1 3.89Å; F323-I335 HydrophobicContact CD2-CG2 4.22Å; F323-I335 HydrophobicContact CE2-CD1 3.41Å; F323-I335 VanDerWaalsContact CE2-CD1 3.41Å; F323-I335 HydrophobicContact CE2-CG1 3.57Å; F323-I335 HydrophobicContact CZ-CD1 4.16Å; I335-I395 HydrophobicContact CD1-CG2 3.71Å; I335-I395 HydrophobicContact CG2-CD1 4.43Å; I335-L399 HydrophobicContact CD1-CD1 3.91Å; I335-L399 HydrophobicContact CD1-CD2 4.14Å; I335-L399 HydrophobicContact CD1-CG 4.4Å; I335-M408 HydrophobicContact CB-CG 4.1Å; I335-M408 HydrophobicContact CB-SD 4.32Å; I335-M408 HydrophobicContact CD1-CG 4.1Å; I335-M408 HydrophobicContact CD1-SD 3.68Å; I335-M408 HydrophobicContact CG2-CG 4.41Å; I335-M408 HydrophobicContact CG2-SD 4.13Å; I335-V409 CarbonylContact C-O 3.59Å; I335-V409 WeakPolarHBondContact CA-O 3.42Å; I335-V409 WeakPolarHBondContact CB-O 3.27Å; I335-V410 HydrophobicContact CG2-CB 3.72Å; I335-V410 HydrophobicContact CG2-CG2 3.63Å
336	F	94.8	Very high	88.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.6	154.5	67	-94.5	0	0	0	110.6	W318 Q319 L320 A338 V409 L423 M426 R427 L430	W318-F336 HydrophobicContact CB-CD2 3.98Å; W318-F336 HydrophobicContact CE3-CD2 4.36Å; W318-F336 AromaticContact CE3-CE2 3.96Å; W318-F336 HydrophobicContact CE3-CE2 3.96Å; Q319-F336 WeakPolarHBondContact O-CB 3.34Å; L320-F336 HydrophobicContact CD2-CB 4.02Å; L320-F336 HydrophobicContact CD2-CD1 3.91Å; L320-F336 HydrophobicContact CD2-CG 4.39Å; F336-A338 HydrophobicContact CE2-CB 4.31Å; F336-V409 HydrophobicContact CD1-CB 4.04Å; F336-V409 HydrophobicContact CD2-CB 4.49Å; F336-V409 HydrophobicContact CE1-CB 3.5Å; F336-V409 VanDerWaalsContact CE1-CB 3.5Å; F336-V409 HydrophobicContact CE1-CG1 3.8Å; F336-V409 HydrophobicContact CE1-CG2 3.98Å; F336-V409 HydrophobicContact CE2-CB 4Å; F336-V409 HydrophobicContact CE2-CG2 3.7Å; F336-V409 HydrophobicContact CZ-CB 3.48Å; F336-V409 VanDerWaalsContact CZ-CB 3.48Å; F336-V409 HydrophobicContact CZ-CG1 4.02Å; F336-V409 HydrophobicContact CZ-CG2 3.38Å; F336-V409 PolarHBondContact N-O 3.02Å; F336-V409 PolarHBondContact O-N 2.99Å; F336-L423 HydrophobicContact CD1-CB 4.23Å; F336-L423 HydrophobicContact CD1-CD2 4.04Å; F336-L423 HydrophobicContact CE1-CB 4.39Å; F336-L423 HydrophobicContact CE1-CD2 4.08Å; F336-M426 HydrophobicContact CE1-CB 4.1Å; F336-M426 HydrophobicContact CZ-CB 4.24Å; F336-R427 HydrophobicContact CD1-CG 3.66Å; F336-R427 HydrophobicContact CD2-CG 4.11Å; F336-R427 HydrophobicContact CE1-CB 4.48Å; F336-R427 HydrophobicContact CE1-CG 3.59Å; F336-R427 HydrophobicContact CE2-CG 4.05Å; F336-R427 HydrophobicContact CG-CG 3.92Å; F336-R427 HydrophobicContact CZ-CB 4.37Å; F336-R427 HydrophobicContact CZ-CG 3.79Å; F336-L430 HydrophobicContact CE2-CD2 4Å; F336-L430 HydrophobicContact CZ-CD2 4.29Å
337	L	93.4	Very high	88.2	Confident	17 Å²	17	48.9 Å²	48.9	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	176	-61.3	177	0	0	0	110	M321 L377 L399 R403 M408	M321-L337 HydrophobicContact CE-CD1 3.85Å; M321-L337 HydrophobicContact CE-CG 3.71Å; L337-L377 HydrophobicContact CD2-CD1 3.74Å; L337-L399 HydrophobicContact CD1-CD1 4.16Å; L337-L399 HydrophobicContact CD1-CD2 3.86Å; L337-L399 HydrophobicContact CD2-CD1 3.93Å; L337-R403 HydrophobicContact CD1-CB 4Å; L337-R403 HydrophobicContact CD1-CG 4.27Å; L337-M408 HydrophobicContact CD2-CB 3.77Å; L337-M408 HydrophobicContact CD2-CG 3.84Å
338	A	93.1	Very high	88.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.4	176.1	0	0	0	0	0	110.5	W318 F336 L346 I407 L430	W318-A338 HydrophobicContact CD2-CB 3.99Å; W318-A338 HydrophobicContact CE3-CB 4.1Å; W318-A338 HydrophobicContact CH2-CB 3.89Å; W318-A338 HydrophobicContact CZ2-CB 3.75Å; W318-A338 HydrophobicContact CZ3-CB 4.08Å; F336-A338 HydrophobicContact CE2-CB 4.31Å; A338-L346 HydrophobicContact CB-CD1 3.92Å; A338-I407 HydrophobicContact CB-CB 4.32Å; A338-I407 PolarHBondContact N-O 3.48Å; A338-I407 PolarHBondContact O-N 2.85Å; A338-L430 HydrophobicContact CB-CD2 3.74Å
339	K	88.9	Confident	88.9	Confident	67 Å²	67	47.9 Å²	47.9	29%	0.291	27%	0.272	S	S	.	.			trans	-135.6	151.9	172.8	-65.2	-172.3	176	-169.5	0	109.7	W318 S406	W318-K339 WeakPolarHBondContact CZ2-O 3.26Å; W318-K339 PolarHBondContact NE1-O 2.87Å; K339-S406 WeakPolarHBondContact CE-OG 3.44Å
340	S	89.3	Confident	89.2	Confident	14 Å²	14	44.1 Å²	44.1	10%	0.098	25%	0.252	C	S	.	.			trans	-64.7	164	170.6	70.5	0	0	0	0	111	N342 G343 E344	S340-N342 PolarHBondContact O-N 3.32Å; S340-G343 PolarHBondContact O-N 3.19Å; S340-G343 PolarHBondContact OG-N 3.02Å; S340-E344 WeakPolarHBondContact CB-O 3.43Å; S340-E344 PolarHBondContact N-O 3.5Å; S340-E344 WeakPolarHBondContact OG-CA 3.17Å; S340-E344 WeakPolarHBondContact OG-CB 3.39Å; S340-E344 PolarHBondContact OG-N 2.88Å; S340-E344 PolarHBondContact OG-O 3.43Å
341	Q	88.3	Confident	89.3	Confident	82 Å²	82	48.1 Å²	48.1	38%	0.383	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.8	178.1	-173.4	-177.8	-4.7	0	0	112.9	G343 Q459	Q341-G343 VanDerWaalsContact C-N 3.3Å; Q341-Q459 VanDerWaalsContact CB-O 3.3Å; Q341-Q459 WeakPolarHBondContact CB-O 3.4Å; Q341-Q459 PolarHBondContact N-O 3.21Å; Q341-Q459 VanDerWaalsContact OE1-NE2 3.13Å
342	N	85.2	Confident	89.4	Confident	135 Å²	135	46 Å²	46	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	2.7	178.8	-63.7	-12.5	0	0	0	113	S340 E344	S340-N342 PolarHBondContact O-N 3.32Å; N342-E344 VanDerWaalsContact C-N 3.26Å; N342-E344 HydrophobicContact CB-CG 4.44Å; N342-E344 PolarHBondContact O-N 3.41Å
343	G	82.9	Confident	89.4	Confident	41 Å²	41	47.2 Å²	47.2	42%	0.423	26%	0.26	S	S	.	.	S	Bend	trans	80.7	-1.1	-175.4	0	0	0	0	0	114.6	S340 Q341	S340-G343 PolarHBondContact O-N 3.19Å; S340-G343 PolarHBondContact OG-N 3.02Å; Q341-G343 VanDerWaalsContact C-N 3.3Å
344	E	82	Confident	89.4	Confident	90 Å²	90	48.2 Å²	48.2	42%	0.421	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.4	146.4	176.1	-61.7	-169.9	169.1	0	0	112	S340 N342	S340-E344 WeakPolarHBondContact CB-O 3.43Å; S340-E344 PolarHBondContact N-O 3.5Å; S340-E344 WeakPolarHBondContact OG-CA 3.17Å; S340-E344 WeakPolarHBondContact OG-CB 3.39Å; S340-E344 PolarHBondContact OG-N 2.88Å; S340-E344 PolarHBondContact OG-O 3.43Å; N342-E344 VanDerWaalsContact C-N 3.26Å; N342-E344 HydrophobicContact CB-CG 4.44Å; N342-E344 PolarHBondContact O-N 3.41Å
345	P	81.3	Confident	89.2	Confident	35 Å²	35	52.8 Å²	52.8	23%	0.227	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.3	174.9	-18.8	29.4	0	0	0	112.1	E405	P345-E405 HydrophobicContact CB-CB 4.45Å; P345-E405 WeakPolarHBondContact CB-O 3.5Å; P345-E405 HydrophobicContact CG-CB 4.06Å
346	L	88	Confident	89.2	Confident	9 Å²	9	59 Å²	59	5%	0.047	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-95.5	142.5	176.7	-64.2	171.2	0	0	0	110.4	W318 A338 I407 Y434 I458 I460	W318-L346 HydrophobicContact CH2-CD1 4.35Å; W318-L346 HydrophobicContact CZ2-CD1 3.92Å; A338-L346 HydrophobicContact CB-CD1 3.92Å; L346-I407 HydrophobicContact CB-CG1 4.06Å; L346-I407 WeakPolarHBondContact O-CD1 3.4Å; L346-I407 WeakPolarHBondContact O-CG1 3.4Å; L346-Y434 HydrophobicContact CB-CE1 3.98Å; L346-Y434 HydrophobicContact CB-CE2 4.1Å; L346-Y434 HydrophobicContact CD1-CD2 3.88Å; L346-Y434 HydrophobicContact CD1-CE2 3.57Å; L346-Y434 HydrophobicContact CD2-CD1 4.31Å; L346-Y434 HydrophobicContact CD2-CD2 4.37Å; L346-Y434 HydrophobicContact CD2-CE1 4.49Å; L346-Y434 HydrophobicContact CD2-CG 4.26Å; L346-Y434 HydrophobicContact CG-CE2 4.28Å; L346-I458 HydrophobicContact CD2-CG2 3.51Å; L346-I460 HydrophobicContact CD1-CD1 4.06Å; L346-I460 HydrophobicContact CD2-CD1 3.83Å
347	P	87.3	Confident	89.2	Confident	70 Å²	70	59.1 Å²	59.1	46%	0.455	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-71.5	144.2	176.2	29.7	-33.3	0	0	0	110.8	Y434 I458	P347-Y434 HydrophobicContact CG-CE1 4.06Å; P347-Y434 VanDerWaalsContact O-CE1 3.23Å; P347-Y434 WeakPolarHBondContact O-CE1 3.42Å; P347-Y434 PolarHBondContact O-OH 3.48Å; P347-I458 HydrophobicContact CG-CD1 4.15Å
348	M	88.8	Confident	89.1	Confident	66 Å²	66	61.4 Å²	61.4	33%	0.325	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-57.4	132.9	173.5	-86.4	-63.3	-74.5	0	0	112.1	I354 V374 D376 I407	M348-I354 HydrophobicContact CE-CD1 4.4Å; M348-V374 HydrophobicContact CE-CB 4.42Å; M348-V374 HydrophobicContact CE-CG1 4.02Å; M348-V374 WeakPolarHBondContact CE-O 3.35Å; M348-V374 HydrophobicContact SD-CG1 4.1Å; M348-D376 HydrophobicContact CG-CB 3.51Å; M348-D376 WeakPolarHBondContact CG-OD2 3.4Å; M348-D376 HydrophobicContact SD-CB 3.73Å; M348-I407 HydrophobicContact CG-CD1 3.79Å; M348-I407 HydrophobicContact SD-CD1 3.46Å; M348-I407 WeakPolarHBondContact SD-CD1 3.48Å; M348-I407 HydrophobicContact SD-CG1 4.3Å; M348-I407 HydrophobicContact SD-CG2 4.08Å
349	P	90.4	Very high	89	Confident	7 Å²	7	64.3 Å²	64.3	5%	0.045	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59.6	145.4	167.4	-21.6	33.9	0	0	0	110.7	I354 W357 V374 L430	P349-I354 HydrophobicContact CB-CD1 4.48Å; P349-I354 HydrophobicContact CB-CG1 4.19Å; P349-W357 HydrophobicContact CB-CH2 4.31Å; P349-W357 HydrophobicContact CB-CZ3 4.05Å; P349-W357 HydrophobicContact CG-CH2 4.34Å; P349-W357 HydrophobicContact CG-CZ3 4.17Å; P349-V374 HydrophobicContact CG-CG1 4.41Å; P349-L430 HydrophobicContact CG-CD1 3.73Å
350	D	89.9	Confident	89.1	Confident	98 Å²	98	64.2 Å²	64.2	52%	0.524	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.6	150.7	176.9	66.8	74.8	0	0	0	112	G352 R353 I354	D350-G352 VanDerWaalsContact C-N 3.27Å; D350-G352 PolarHBondContact O-N 2.87Å; D350-G352 PolarHBondContact OD1-N 2.94Å; D350-R353 WeakPolarHBondContact O-CB 3.21Å; D350-R353 PolarHBondContact O-N 3.35Å; D350-R353 WeakPolarHBondContact OD1-CB 3.39Å; D350-R353 PolarHBondContact OD1-N 3.08Å; D350-I354 PolarHBondContact O-N 2.86Å; D350-I354 VanDerWaalsContact O-N 3.14Å
351	E	88.8	Confident	89.2	Confident	141 Å²	141	64.2 Å²	64.2	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-58.9	-39.6	-176.7	-166.2	-172.6	164.5	0	0	112	R353 I354 Q355	E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 3.42Å; E351-I354 PolarHBondContact O-N 3.37Å; E351-Q355 WeakPolarHBondContact O-CG 3.38Å; E351-Q355 PolarHBondContact O-N 3.35Å; E351-Q355 PolarHBondContact OE1-NE2 3.22Å; E351-Q355 VanDerWaalsContact OE1-NE2 3.13Å
352	G	91.5	Very high	89.2	Confident	42 Å²	42	64.3 Å²	64.3	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-31.7	177	0	0	0	0	0	113.1	D350 K356	D350-G352 VanDerWaalsContact C-N 3.27Å; D350-G352 PolarHBondContact O-N 2.87Å; D350-G352 PolarHBondContact OD1-N 2.94Å; G352-K356 WeakPolarHBondContact O-CB 3.45Å; G352-K356 PolarHBondContact O-N 2.89Å
353	R	92.4	Very high	89.4	Confident	73 Å²	73	63.2 Å²	63.2	28%	0.275	35%	0.346	S	S	.	.	H	α-helix	trans	-71.4	-42.9	175.7	-177.4	63.2	177.9	-168	2.3	111.1	D350 E351 K356 W357	D350-R353 WeakPolarHBondContact O-CB 3.21Å; D350-R353 PolarHBondContact O-N 3.35Å; D350-R353 WeakPolarHBondContact OD1-CB 3.39Å; D350-R353 PolarHBondContact OD1-N 3.08Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 3.42Å; R353-K356 WeakPolarHBondContact O-CB 3.49Å; R353-K356 PolarHBondContact O-N 2.82Å; R353-W357 HydrophobicContact CG-CD2 4.32Å; R353-W357 HydrophobicContact CG-CE3 4.28Å; R353-W357 HydrophobicContact CG-CH2 3.91Å; R353-W357 HydrophobicContact CG-CZ2 3.96Å; R353-W357 HydrophobicContact CG-CZ3 4.07Å; R353-W357 PolarHBondContact O-N 2.98Å
354	I	91.6	Very high	89.7	Confident	21 Å²	21	69.3 Å²	69.3	11%	0.108	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-49	175.6	-62.9	167.4	0	0	0	109.9	M348 P349 D350 E351 K356 W357 Q358 V374	M348-I354 HydrophobicContact CE-CD1 4.4Å; P349-I354 HydrophobicContact CB-CD1 4.48Å; P349-I354 HydrophobicContact CB-CG1 4.19Å; D350-I354 PolarHBondContact O-N 2.86Å; D350-I354 VanDerWaalsContact O-N 3.14Å; E351-I354 PolarHBondContact O-N 3.37Å; I354-K356 VanDerWaalsContact C-N 3.27Å; I354-K356 PolarHBondContact O-N 3.47Å; I354-W357 HydrophobicContact CG1-CE3 4.46Å; I354-W357 HydrophobicContact CG1-CZ3 4.47Å; I354-W357 WeakPolarHBondContact O-CB 3.5Å; I354-W357 PolarHBondContact O-N 3.23Å; I354-Q358 WeakPolarHBondContact O-CG 3.09Å; I354-Q358 PolarHBondContact O-N 3.06Å; I354-V374 HydrophobicContact CD1-CB 3.95Å; I354-V374 HydrophobicContact CD1-CG2 4.33Å; I354-V374 HydrophobicContact CG1-CB 4.39Å; I354-V374 HydrophobicContact CG1-CG2 4.22Å; I354-V374 HydrophobicContact CG2-CG2 4.49Å
355	Q	92	Very high	90.1	Very high	100 Å²	100	68.7 Å²	68.7	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-38.9	175.8	-70.5	174.3	10.1	0	0	112.2	E351 Q358 S359	E351-Q355 WeakPolarHBondContact O-CG 3.38Å; E351-Q355 PolarHBondContact O-N 3.35Å; E351-Q355 PolarHBondContact OE1-NE2 3.22Å; E351-Q355 VanDerWaalsContact OE1-NE2 3.13Å; Q355-Q358 PolarHBondContact O-N 3.19Å; Q355-S359 WeakPolarHBondContact O-CB 3.29Å; Q355-S359 PolarHBondContact O-N 2.75Å
356	K	93.6	Very high	90.5	Very high	131 Å²	131	71.8 Å²	71.8	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-63.5	-41.3	175.2	-177.9	174.5	-179.1	170.6	0	112.2	G352 R353 I354 Q360	G352-K356 WeakPolarHBondContact O-CB 3.45Å; G352-K356 PolarHBondContact O-N 2.89Å; R353-K356 WeakPolarHBondContact O-CB 3.49Å; R353-K356 PolarHBondContact O-N 2.82Å; I354-K356 VanDerWaalsContact C-N 3.27Å; I354-K356 PolarHBondContact O-N 3.47Å; K356-Q360 WeakPolarHBondContact O-CB 3.39Å; K356-Q360 PolarHBondContact O-N 3.37Å
357	W	94.3	Very high	90.5	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-64	-49.3	174.2	-71	-40.9	0	0	0	110.9	P349 R353 I354 S359 Q360 F361 F372 M426 L429 L430 H433	P349-W357 HydrophobicContact CB-CH2 4.31Å; P349-W357 HydrophobicContact CB-CZ3 4.05Å; P349-W357 HydrophobicContact CG-CH2 4.34Å; P349-W357 HydrophobicContact CG-CZ3 4.17Å; R353-W357 HydrophobicContact CG-CD2 4.32Å; R353-W357 HydrophobicContact CG-CE3 4.28Å; R353-W357 HydrophobicContact CG-CH2 3.91Å; R353-W357 HydrophobicContact CG-CZ2 3.96Å; R353-W357 HydrophobicContact CG-CZ3 4.07Å; R353-W357 PolarHBondContact O-N 2.98Å; I354-W357 HydrophobicContact CG1-CE3 4.46Å; I354-W357 HydrophobicContact CG1-CZ3 4.47Å; I354-W357 WeakPolarHBondContact O-CB 3.5Å; I354-W357 PolarHBondContact O-N 3.23Å; W357-S359 VanDerWaalsContact C-N 3.29Å; W357-S359 PolarHBondContact O-N 2.97Å; W357-Q360 CarbonylContact O-C 3.54Å; W357-Q360 WeakPolarHBondContact O-CA 3.22Å; W357-Q360 VanDerWaalsContact O-CB 3.28Å; W357-Q360 WeakPolarHBondContact O-CB 3.28Å; W357-Q360 PolarHBondContact O-N 3.01Å; W357-F361 WeakPolarHBondContact O-CD2 3.15Å; W357-F361 PolarHBondContact O-N 2.83Å; W357-F372 HydrophobicContact CB-CZ 3.9Å; W357-M426 HydrophobicContact CB-SD 4.28Å; W357-M426 HydrophobicContact CD2-CE 4.23Å; W357-M426 HydrophobicContact CD2-SD 4.42Å; W357-M426 HydrophobicContact CE3-CE 3.73Å; W357-M426 HydrophobicContact CE3-SD 4.44Å; W357-M426 HydrophobicContact CG-SD 4.4Å; W357-M426 HydrophobicContact CZ3-CE 4.04Å; W357-L429 HydrophobicContact CZ2-CB 4.49Å; W357-L430 HydrophobicContact CH2-CD1 3.78Å; W357-L430 HydrophobicContact CZ3-CD1 4.19Å; W357-H433 HydrophobicContact CH2-CB 3.97Å; W357-H433 HydrophobicContact CZ2-CB 3.75Å
358	Q	91.8	Very high	90.6	Very high	66 Å²	66	73.9 Å²	73.9	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-52.1	-47.5	176	-70.3	171.4	-23.7	0	0	111.6	I354 Q355 Q360 F361 S362 F372	I354-Q358 WeakPolarHBondContact O-CG 3.09Å; I354-Q358 PolarHBondContact O-N 3.06Å; Q355-Q358 PolarHBondContact O-N 3.19Å; Q358-Q360 PolarHBondContact O-N 2.94Å; Q358-F361 PolarHBondContact O-N 2.71Å; Q358-S362 PolarHBondContact O-N 2.74Å; Q358-S362 PolarHBondContact O-OG 3.12Å; Q358-F372 HydrophobicContact CG-CE1 3.85Å; Q358-F372 HydrophobicContact CG-CE2 4.41Å; Q358-F372 HydrophobicContact CG-CZ 3.71Å; Q358-F372 PolarHBondContact NE2-O 3.36Å
359	S	91.8	Very high	90.5	Very high	61 Å²	61	78 Å²	78	43%	0.427	39%	0.392	S	S	.	.	H	α-helix	trans	-61.4	-39.7	174.6	-177.6	0	0	0	0	113.1	Q355 W357 S362 N363	Q355-S359 WeakPolarHBondContact O-CB 3.29Å; Q355-S359 PolarHBondContact O-N 2.75Å; W357-S359 VanDerWaalsContact C-N 3.29Å; W357-S359 PolarHBondContact O-N 2.97Å; S359-S362 PolarHBondContact O-N 2.97Å; S359-N363 WeakPolarHBondContact O-CB 3.46Å; S359-N363 PolarHBondContact O-N 2.97Å; S359-N363 PolarHBondContact O-ND2 3.33Å; S359-N363 PolarHBondContact OG-ND2 3.3Å
360	Q	90.6	Very high	90.3	Very high	65 Å²	65	78.3 Å²	78.3	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-43.9	174.7	-172	-178.1	-15.3	0	0	111.1	K356 W357 Q358 N363 Y364	K356-Q360 WeakPolarHBondContact O-CB 3.39Å; K356-Q360 PolarHBondContact O-N 3.37Å; W357-Q360 CarbonylContact O-C 3.54Å; W357-Q360 WeakPolarHBondContact O-CA 3.22Å; W357-Q360 VanDerWaalsContact O-CB 3.28Å; W357-Q360 WeakPolarHBondContact O-CB 3.28Å; W357-Q360 PolarHBondContact O-N 3.01Å; Q358-Q360 PolarHBondContact O-N 2.94Å; Q360-N363 PolarHBondContact O-N 2.98Å; Q360-Y364 HydrophobicContact CB-CD2 4.41Å; Q360-Y364 HydrophobicContact CG-CD2 3.52Å; Q360-Y364 HydrophobicContact CG-CE2 3.89Å; Q360-Y364 WeakPolarHBondContact O-CB 3.41Å; Q360-Y364 VanDerWaalsContact O-CD2 3.25Å; Q360-Y364 WeakPolarHBondContact O-CD2 3.45Å; Q360-Y364 PolarHBondContact O-N 3.48Å
361	F	91	Very high	90.2	Very high	14 Å²	14	78 Å²	78	6%	0.061	40%	0.396	C	S	.	.	H	α-helix	trans	-62.7	-48.2	176.4	-80	-87.1	0	0	0	111.9	W357 Q358 N363 Y365 F372 I422 L425 M426 L429	W357-F361 WeakPolarHBondContact O-CD2 3.15Å; W357-F361 PolarHBondContact O-N 2.83Å; Q358-F361 PolarHBondContact O-N 2.71Å; F361-N363 VanDerWaalsContact C-N 3.26Å; F361-N363 PolarHBondContact O-N 2.73Å; F361-Y365 HydrophobicContact CD1-CD2 4.06Å; F361-Y365 CarbonylContact O-C 3.54Å; F361-Y365 VanDerWaalsContact O-C 3.28Å; F361-Y365 VanDerWaalsContact O-CA 3.29Å; F361-Y365 WeakPolarHBondContact O-CA 3.29Å; F361-Y365 WeakPolarHBondContact O-CB 3.27Å; F361-Y365 PolarHBondContact O-N 3.02Å; F361-F372 AromaticContact CD2-CE1 3.65Å; F361-F372 HydrophobicContact CD2-CE1 3.65Å; F361-F372 HydrophobicContact CD2-CZ 4.3Å; F361-F372 AromaticContact CE2-CE1 3.96Å; F361-F372 HydrophobicContact CE2-CE1 3.96Å; F361-F372 HydrophobicContact CE2-CZ 4.38Å; F361-F372 HydrophobicContact CG-CE1 4.34Å; F361-I422 HydrophobicContact CD1-CD1 4.4Å; F361-I422 HydrophobicContact CD1-CG1 4.06Å; F361-I422 HydrophobicContact CE1-CB 4.34Å; F361-I422 HydrophobicContact CE1-CG1 4.13Å; F361-I422 HydrophobicContact CE1-CG2 4.17Å; F361-I422 HydrophobicContact CZ-CG2 4.46Å; F361-L425 HydrophobicContact CD1-CD1 4.34Å; F361-L425 HydrophobicContact CE1-CB 3.62Å; F361-L425 HydrophobicContact CE1-CD1 3.53Å; F361-L425 HydrophobicContact CE1-CG 4.22Å; F361-L425 HydrophobicContact CZ-CB 3.54Å; F361-L425 HydrophobicContact CZ-CD1 4.29Å; F361-M426 HydrophobicContact CE2-CG 3.94Å; F361-M426 HydrophobicContact CE2-SD 3.57Å; F361-M426 VanDerWaalsContact CE2-SD 3.57Å; F361-M426 HydrophobicContact CZ-CG 3.86Å; F361-M426 HydrophobicContact CZ-SD 4.05Å; F361-L429 HydrophobicContact CE2-CD1 3.73Å; F361-L429 HydrophobicContact CZ-CD1 3.92Å
362	S	88.6	Confident	90.3	Very high	83 Å²	83	71.6 Å²	71.6	58%	0.58	37%	0.366	S	S	*	.	H	α-helix	trans	-59.5	-36.3	177.9	-54.6	0	0	0	0	113.1	Q358 S359	Q358-S362 PolarHBondContact O-N 2.74Å; Q358-S362 PolarHBondContact O-OG 3.12Å; S359-S362 PolarHBondContact O-N 2.97Å
363	N	89.2	Confident	90.4	Very high	112 Å²	112	70.4 Å²	70.4	60%	0.599	35%	0.35	S	S	*	.	H	α-helix	trans	-80.7	-43.1	-177.7	-71	-30.5	0	0	0	113.4	S359 Q360 F361	S359-N363 WeakPolarHBondContact O-CB 3.46Å; S359-N363 PolarHBondContact O-N 2.97Å; S359-N363 PolarHBondContact O-ND2 3.33Å; S359-N363 PolarHBondContact OG-ND2 3.3Å; Q360-N363 PolarHBondContact O-N 2.98Å; F361-N363 VanDerWaalsContact C-N 3.26Å; F361-N363 PolarHBondContact O-N 2.73Å
364	Y	88.6	Confident	90.3	Very high	169 Å²	169	67.6 Å²	67.6	66%	0.663	34%	0.341	S	S	*	.	H	α-helix	trans	-96.8	-22.3	-172.9	-68	-75.6	0	0	0	113.5	Q360	Q360-Y364 HydrophobicContact CB-CD2 4.41Å; Q360-Y364 HydrophobicContact CG-CD2 3.52Å; Q360-Y364 HydrophobicContact CG-CE2 3.89Å; Q360-Y364 WeakPolarHBondContact O-CB 3.41Å; Q360-Y364 VanDerWaalsContact O-CD2 3.25Å; Q360-Y364 WeakPolarHBondContact O-CD2 3.45Å; Q360-Y364 PolarHBondContact O-N 3.48Å
365	Y	91	Very high	90.2	Very high	78 Å²	78	66.7 Å²	66.7	31%	0.306	34%	0.336	S	S	.	.			trans	-131.2	51	-176.7	-53.7	-85	0	0	0	112.4	F361 H367 L368 L425	F361-Y365 HydrophobicContact CD1-CD2 4.06Å; F361-Y365 CarbonylContact O-C 3.54Å; F361-Y365 VanDerWaalsContact O-C 3.28Å; F361-Y365 VanDerWaalsContact O-CA 3.29Å; F361-Y365 WeakPolarHBondContact O-CA 3.29Å; F361-Y365 WeakPolarHBondContact O-CB 3.27Å; F361-Y365 PolarHBondContact O-N 3.02Å; Y365-H367 AromaticContact CD1-CE1 3.95Å; Y365-H367 PolarHBondContact O-N 2.9Å; Y365-L368 HydrophobicContact CD1-CD1 4.19Å; Y365-L368 HydrophobicContact CG-CD1 4.1Å; Y365-L368 PolarHBondContact O-N 2.84Å; Y365-L425 HydrophobicContact CD1-CD1 4.23Å; Y365-L425 HydrophobicContact CD2-CD1 4.29Å; Y365-L425 HydrophobicContact CE1-CD1 3.96Å; Y365-L425 HydrophobicContact CE2-CD1 4.03Å; Y365-L425 HydrophobicContact CG-CD1 4.39Å
366	P	88.5	Confident	89.9	Confident	99 Å²	99	63.2 Å²	63.2	64%	0.643	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.1	-177.1	28.5	-37.4	0	0	0	114.1
367	H	88.4	Confident	89.4	Confident	108 Å²	108	57.3 Å²	57.3	50%	0.5	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.6	176.1	58.2	-80.2	0	0	0	112.9	Y365 K369	Y365-H367 AromaticContact CD1-CE1 3.95Å; Y365-H367 PolarHBondContact O-N 2.9Å; H367-K369 PolarHBondContact O-N 3.02Å
368	L	90.9	Very high	88.5	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	32%	0.315	C	S	.	.			trans	-84.3	110.4	175.3	-58.1	-178.8	0	0	0	108.5	Y365 A370 S418 Q421 I422 L425	Y365-L368 HydrophobicContact CD1-CD1 4.19Å; Y365-L368 HydrophobicContact CG-CD1 4.1Å; Y365-L368 PolarHBondContact O-N 2.84Å; L368-A370 PolarHBondContact O-N 3.12Å; L368-S418 WeakPolarHBondContact CA-OG 3.46Å; L368-Q421 HydrophobicContact CD1-CB 4.13Å; L368-Q421 HydrophobicContact CD2-CB 4.05Å; L368-I422 HydrophobicContact CB-CD1 4.05Å; L368-I422 HydrophobicContact CB-CG1 4.02Å; L368-I422 HydrophobicContact CD1-CG1 3.79Å; L368-L425 HydrophobicContact CD1-CD1 4.28Å
369	K	85.5	Confident	87.5	Confident	152 Å²	152	63.2 Å²	63.2	66%	0.661	33%	0.325	S	S	*	.			trans	-91.1	35.4	-173	-63.5	-177	-179.6	177.7	0	113	H367 S413 S418	H367-K369 PolarHBondContact O-N 3.02Å; K369-S413 WeakPolarHBondContact O-CB 3.35Å; K369-S413 PolarHBondContact O-OG 3.45Å; K369-S418 PolarHBondContact N-OG 3.43Å
370	A	86.8	Confident	86.2	Confident	13 Å²	13	68 Å²	68	11%	0.107	35%	0.345	C	S	.	.			trans	-117.8	145.1	-178.6	0	0	0	0	0	111.2	L368 V419 I422	L368-A370 PolarHBondContact O-N 3.12Å; A370-V419 HydrophobicContact CB-CG2 4.23Å; A370-I422 HydrophobicContact CB-CD1 3.6Å; A370-I422 HydrophobicContact CB-CG1 4.36Å; A370-I422 WeakPolarHBondContact O-CD1 3.47Å
371	T	86.5	Confident	84.7	Confident	91 Å²	91	69.5 Å²	69.5	56%	0.558	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.9	170.1	47.3	0	0	0	0	109.2	A411 C412	T371-A411 VanDerWaalsContact O-CA 3.26Å; T371-A411 WeakPolarHBondContact O-CA 3.35Å; T371-A411 WeakPolarHBondContact O-CB 3.37Å; T371-C412 PolarHBondContact O-N 3.07Å
372	F	92.9	Very high	83.4	Confident	7 Å²	7	69.8 Å²	69.8	3%	0.031	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.3	177.1	76.7	-89.1	0	0	0	111.8	W357 Q358 F361 V374 V409 V410 A411 I422 M426	W357-F372 HydrophobicContact CB-CZ 3.9Å; Q358-F372 HydrophobicContact CG-CE1 3.85Å; Q358-F372 HydrophobicContact CG-CE2 4.41Å; Q358-F372 HydrophobicContact CG-CZ 3.71Å; Q358-F372 PolarHBondContact NE2-O 3.36Å; F361-F372 AromaticContact CD2-CE1 3.65Å; F361-F372 HydrophobicContact CD2-CE1 3.65Å; F361-F372 HydrophobicContact CD2-CZ 4.3Å; F361-F372 AromaticContact CE2-CE1 3.96Å; F361-F372 HydrophobicContact CE2-CE1 3.96Å; F361-F372 HydrophobicContact CE2-CZ 4.38Å; F361-F372 HydrophobicContact CG-CE1 4.34Å; F372-V374 HydrophobicContact CD2-CG2 4.37Å; F372-V374 HydrophobicContact CE2-CG2 4.18Å; F372-V409 HydrophobicContact CD2-CG1 4.27Å; F372-V410 CarbonylContact C-O 3.53Å; F372-V410 WeakPolarHBondContact CA-O 3.37Å; F372-V410 WeakPolarHBondContact CB-O 3.28Å; F372-A411 HydrophobicContact CB-CB 4.01Å; F372-I422 HydrophobicContact CB-CG2 4Å; F372-I422 HydrophobicContact CD1-CG2 3.73Å; F372-I422 HydrophobicContact CG-CG2 4.13Å; F372-M426 HydrophobicContact CD1-CG 4.37Å; F372-M426 HydrophobicContact CD2-CE 4.14Å; F372-M426 HydrophobicContact CD2-CG 4.14Å; F372-M426 HydrophobicContact CD2-SD 4.24Å; F372-M426 HydrophobicContact CE1-CG 4.36Å; F372-M426 HydrophobicContact CE1-SD 4.12Å; F372-M426 HydrophobicContact CE2-CE 3.57Å; F372-M426 HydrophobicContact CE2-CG 4.14Å; F372-M426 HydrophobicContact CE2-SD 3.64Å; F372-M426 HydrophobicContact CG-CG 4.27Å; F372-M426 HydrophobicContact CZ-CE 4.09Å; F372-M426 HydrophobicContact CZ-CG 4.25Å; F372-M426 HydrophobicContact CZ-SD 3.57Å; F372-M426 VanDerWaalsContact CZ-SD 3.57Å
373	D	92	Very high	82.4	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.1	170	-77.7	-30.5	0	0	0	111	V375 S384 S385 V386 V409 V410	D373-V375 HydrophobicContact CB-CG2 4.22Å; D373-S384 VanDerWaalsContact OD2-C 3.31Å; D373-S384 WeakPolarHBondContact OD2-CA 3.33Å; D373-S384 WeakPolarHBondContact OD2-CB 3.39Å; D373-S384 PolarHBondContact OD2-OG 2.81Å; D373-S385 PolarHBondContact OD1-OG 2.98Å; D373-S385 WeakPolarHBondContact OD2-CA 3.37Å; D373-S385 PolarHBondContact OD2-N 2.96Å; D373-S385 PolarHBondContact OD2-OG 2.91Å; D373-V386 HydrophobicContact CB-CG2 4.3Å; D373-V386 WeakPolarHBondContact OD2-CG2 3.34Å; D373-V386 PolarHBondContact OD2-N 3.16Å; D373-V409 WeakPolarHBondContact O-CA 3.47Å; D373-V410 HydrophobicContact CB-CG1 3.96Å; D373-V410 PolarHBondContact N-O 2.88Å; D373-V410 PolarHBondContact O-N 2.94Å
374	V	91.8	Very high	81.8	Confident	14 Å²	14	69.3 Å²	69.3	9%	0.085	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.3	169.3	-173.8	0	0	0	0	107.2	M348 P349 I354 F372 I407 V409 M426	M348-V374 HydrophobicContact CE-CB 4.42Å; M348-V374 HydrophobicContact CE-CG1 4.02Å; M348-V374 WeakPolarHBondContact CE-O 3.35Å; M348-V374 HydrophobicContact SD-CG1 4.1Å; P349-V374 HydrophobicContact CG-CG1 4.41Å; I354-V374 HydrophobicContact CD1-CB 3.95Å; I354-V374 HydrophobicContact CD1-CG2 4.33Å; I354-V374 HydrophobicContact CG1-CB 4.39Å; I354-V374 HydrophobicContact CG1-CG2 4.22Å; I354-V374 HydrophobicContact CG2-CG2 4.49Å; F372-V374 HydrophobicContact CD2-CG2 4.37Å; F372-V374 HydrophobicContact CE2-CG2 4.18Å; V374-I407 HydrophobicContact CG1-CG2 3.46Å; V374-I407 VanDerWaalsContact CG1-CG2 3.46Å; V374-V409 HydrophobicContact CG1-CG2 4.29Å; V374-V409 HydrophobicContact CG2-CG2 4.2Å; V374-M426 HydrophobicContact CG2-CE 4.25Å
375	V	89.1	Confident	81.3	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.9	-170.2	-175.7	0	0	0	0	109.3	D373 L377 A382 M408 V410	D373-V375 HydrophobicContact CB-CG2 4.22Å; V375-L377 HydrophobicContact CG1-CD2 4.49Å; V375-A382 HydrophobicContact CG1-CB 3.38Å; V375-M408 HydrophobicContact CB-CB 4.49Å; V375-M408 HydrophobicContact CB-CE 3.97Å; V375-M408 HydrophobicContact CG1-CE 4.28Å; V375-M408 HydrophobicContact CG2-CE 4.13Å; V375-M408 PolarHBondContact N-O 2.9Å; V375-M408 PolarHBondContact O-N 2.8Å; V375-V410 HydrophobicContact CG2-CG1 4.28Å
376	D	86.2	Confident	80.9	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.144	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	115.6	167.4	-161.6	-26.9	0	0	0	109.3	M348 K378 L379 A382 I407	M348-D376 HydrophobicContact CG-CB 3.51Å; M348-D376 WeakPolarHBondContact CG-OD2 3.4Å; M348-D376 HydrophobicContact SD-CB 3.73Å; D376-K378 PolarHBondContact O-N 3.32Å; D376-K378 VanDerWaalsContact OD1-CB 3.29Å; D376-K378 WeakPolarHBondContact OD1-CB 3.42Å; D376-K378 PolarHBondContact OD1-N 2.86Å; D376-L379 HydrophobicContact CB-CB 4.45Å; D376-L379 HydrophobicContact CB-CD1 3.9Å; D376-L379 HydrophobicContact CB-CG 4Å; D376-L379 PolarHBondContact O-N 3.35Å; D376-A382 WeakPolarHBondContact O-CB 3.49Å; D376-I407 HydrophobicContact CB-CD1 4.28Å
377	L	81.6	Confident	80.5	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	177.8	-65.5	-178.4	0	0	0	113.1	L337 V375 L379 R396 L399 L404 S406 M408	L337-L377 HydrophobicContact CD2-CD1 3.74Å; V375-L377 HydrophobicContact CG1-CD2 4.49Å; L377-L379 VanDerWaalsContact C-N 3.34Å; L377-R396 HydrophobicContact CD2-CG 4Å; L377-L399 HydrophobicContact CD1-CD1 3.95Å; L377-L404 CarbonylContact C-O 3.46Å; L377-L404 VanDerWaalsContact C-O 3.25Å; L377-L404 HydrophobicContact CB-CD2 4.42Å; L377-L404 VanDerWaalsContact CB-O 3.31Å; L377-L404 WeakPolarHBondContact CB-O 3.49Å; L377-S406 WeakPolarHBondContact CB-O 3.49Å; L377-S406 PolarHBondContact N-O 3.42Å; L377-M408 HydrophobicContact CD1-CB 4.01Å; L377-M408 HydrophobicContact CD2-CB 4.06Å; L377-M408 HydrophobicContact CD2-CE 4.06Å; L377-M408 HydrophobicContact CD2-SD 4.03Å; L377-M408 HydrophobicContact CG-CB 3.87Å
378	K	75.5	Confident	80.2	Confident	96 Å²	96	56.3 Å²	56.3	42%	0.417	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.3	175.8	-65.3	-169.3	169.2	-155.5	0	113.4	D376 D380 L404 E405	D376-K378 PolarHBondContact O-N 3.32Å; D376-K378 VanDerWaalsContact OD1-CB 3.29Å; D376-K378 WeakPolarHBondContact OD1-CB 3.42Å; D376-K378 PolarHBondContact OD1-N 2.86Å; K378-D380 PolarHBondContact O-N 3.11Å; K378-L404 VanDerWaalsContact CG-O 3.3Å; K378-L404 WeakPolarHBondContact CG-O 3.21Å; K378-L404 PolarHBondContact N-O 2.94Å; K378-E405 VanDerWaalsContact CE-CB 3.46Å; K378-E405 WeakPolarHBondContact CE-OE1 3.13Å; K378-E405 IonicContact NZ-OE1 2.72Å; K378-E405 PolarHBondContact NZ-OE1 3.05Å
379	L	72.2	Confident	79.9	Confident	97 Å²	97	59.4 Å²	59.4	51%	0.508	34%	0.337	S	S	.	.			trans	-84.9	114.2	-179.1	-64.2	175.9	0	0	0	108.8	D376 L377 A381 A382 R396	D376-L379 HydrophobicContact CB-CB 4.45Å; D376-L379 HydrophobicContact CB-CD1 3.9Å; D376-L379 HydrophobicContact CB-CG 4Å; D376-L379 PolarHBondContact O-N 3.35Å; L377-L379 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 3.11Å; L379-A381 VanDerWaalsContact O-N 3.12Å; L379-A382 HydrophobicContact CB-CB 4.23Å; L379-A382 WeakPolarHBondContact O-CB 3.41Å; L379-A382 PolarHBondContact O-N 2.94Å; L379-R396 PolarHBondContact O-NH2 2.96Å
380	D	63.2	Low	79.8	Confident	161 Å²	161	57.9 Å²	57.9	86%	0.861	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-40.1	173.4	-76.2	-29.1	0	0	0	111.1	K378 A382 R396	K378-D380 PolarHBondContact O-N 3.11Å; D380-A382 VanDerWaalsContact C-N 3.31Å; D380-A382 PolarHBondContact O-N 3.4Å; D380-R396 PolarHBondContact O-NH1 3.34Å; D380-R396 VanDerWaalsContact O-NH1 3.15Å
381	A	59	Low	79.6	Confident	96 Å²	96	57.9 Å²	57.9	79%	0.793	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	14.3	179.2	0	0	0	0	0	115.2	L379 Y383	L379-A381 PolarHBondContact O-N 3.11Å; L379-A381 VanDerWaalsContact O-N 3.12Å; A381-Y383 PolarHBondContact O-N 2.85Å
382	A	64.4	Low	79.5	Confident	20 Å²	20	53.9 Å²	53.9	17%	0.165	31%	0.309	C	S	.	.			trans	-61.7	128.2	179.4	0	0	0	0	0	110.6	V375 D376 L379 D380 L392 R396	V375-A382 HydrophobicContact CG1-CB 3.38Å; D376-A382 WeakPolarHBondContact O-CB 3.49Å; L379-A382 HydrophobicContact CB-CB 4.23Å; L379-A382 WeakPolarHBondContact O-CB 3.41Å; L379-A382 PolarHBondContact O-N 2.94Å; D380-A382 VanDerWaalsContact C-N 3.31Å; D380-A382 PolarHBondContact O-N 3.4Å; A382-L392 VanDerWaalsContact O-CD2 3.27Å; A382-L392 WeakPolarHBondContact O-CD2 3.12Å; A382-R396 PolarHBondContact O-NH2 2.54Å
383	Y	68.1	Low	79.1	Confident	182 Å²	182	56.9 Å²	56.9	71%	0.714	33%	0.331	S	S	*	.			trans	-111.9	143	-177.5	175.9	-99.2	0	0	0	108.6	A381	A381-Y383 PolarHBondContact O-N 2.85Å
384	S	75.3	Confident	78.8	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.021	34%	0.34	C	S	.	.			trans	-117.4	131.3	166.8	-178.7	0	0	0	0	107.6	D373 V386 L387	D373-S384 VanDerWaalsContact OD2-C 3.31Å; D373-S384 WeakPolarHBondContact OD2-CA 3.33Å; D373-S384 WeakPolarHBondContact OD2-CB 3.39Å; D373-S384 PolarHBondContact OD2-OG 2.81Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact OG-N 3.21Å; S384-L387 VanDerWaalsContact O-O 3.13Å; S384-L387 PolarHBondContact OG-N 3.24Å
385	S	78.9	Confident	78.5	Confident	83 Å²	83	57 Å²	57	58%	0.58	34%	0.336	S	S	*	.	S	Bend	trans	-76.9	-22.1	167.2	69.8	0	0	0	0	112.1	D373	D373-S385 PolarHBondContact OD1-OG 2.98Å; D373-S385 WeakPolarHBondContact OD2-CA 3.37Å; D373-S385 PolarHBondContact OD2-N 2.96Å; D373-S385 PolarHBondContact OD2-OG 2.91Å
386	V	81.2	Confident	78.2	Confident	22 Å²	22	59.2 Å²	59.2	13%	0.133	34%	0.344	C	S	.	.	S	Bend	trans	-86.1	-36.3	-179.1	178	0	0	0	0	112.2	D373 S384 C412	D373-V386 HydrophobicContact CB-CG2 4.3Å; D373-V386 WeakPolarHBondContact OD2-CG2 3.34Å; D373-V386 PolarHBondContact OD2-N 3.16Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact OG-N 3.21Å; V386-C412 HydrophobicContact CG1-CB 3.45Å; V386-C412 VanDerWaalsContact CG1-CB 3.45Å
387	L	81.8	Confident	78.1	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.037	37%	0.373	C	S	.	.	S	Bend	trans	-113.7	139.1	-179.2	-66.4	-166.2	0	0	0	113.3	S384 M391 I395 V410 C412	S384-L387 VanDerWaalsContact O-O 3.13Å; S384-L387 PolarHBondContact OG-N 3.24Å; L387-M391 HydrophobicContact CD1-CG 4.3Å; L387-M391 HydrophobicContact CD1-SD 3.91Å; L387-M391 HydrophobicContact CD2-CE 4.49Å; L387-M391 HydrophobicContact CD2-SD 3.52Å; L387-M391 VanDerWaalsContact CD2-SD 3.52Å; L387-M391 HydrophobicContact CG-SD 4.19Å; L387-I395 HydrophobicContact CD1-CD1 3.35Å; L387-V410 HydrophobicContact CD1-CG2 3.49Å; L387-V410 VanDerWaalsContact CD1-CG2 3.49Å; L387-V410 HydrophobicContact CD2-CG2 4.4Å; L387-V410 HydrophobicContact CG-CG2 3.8Å; L387-C412 HydrophobicContact CD2-CB 3.83Å
388	P	82.3	Confident	78.3	Confident	69 Å²	69	68.6 Å²	68.6	45%	0.448	39%	0.394	S	S	.	.			trans	-53.3	148.6	165.2	-27	36.8	0	0	0	112.9	D390 M391 L392	P388-D390 VanDerWaalsContact C-N 3.31Å; P388-D390 WeakPolarHBondContact CB-OD1 3.3Å; P388-D390 PolarHBondContact O-N 3.34Å; P388-M391 HydrophobicContact CB-CB 4.39Å; P388-M391 PolarHBondContact O-N 3.15Å; P388-M391 VanDerWaalsContact O-N 3.16Å; P388-L392 PolarHBondContact O-N 2.72Å
389	A	83	Confident	78.7	Confident	81 Å²	81	64.7 Å²	64.7	67%	0.669	38%	0.378	S	S	*	.	H	α-helix	trans	-63.1	-35.2	-174.8	0	0	0	0	0	113.5	S393	A389-S393 WeakPolarHBondContact O-CB 3.46Å; A389-S393 PolarHBondContact O-N 2.7Å
390	D	84.1	Confident	79	Confident	121 Å²	121	61.5 Å²	61.5	65%	0.647	37%	0.369	S	S	*	.	H	α-helix	trans	-66	-42.2	174.1	58.8	-33.6	0	0	0	111.9	P388 S393 A394	P388-D390 VanDerWaalsContact C-N 3.31Å; P388-D390 WeakPolarHBondContact CB-OD1 3.3Å; P388-D390 PolarHBondContact O-N 3.34Å; D390-S393 WeakPolarHBondContact O-CB 3.26Å; D390-S393 PolarHBondContact O-N 3.05Å; D390-A394 PolarHBondContact O-N 3.4Å
391	M	83.6	Confident	79.3	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.059	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-44	175.2	-167.1	-173.5	-57.6	0	0	111.6	L326 C327 L387 P388 S393 A394 I395	L326-M391 HydrophobicContact CB-CG 4Å; L326-M391 HydrophobicContact CB-SD 4.45Å; L326-M391 WeakPolarHBondContact O-CE 3.34Å; C327-M391 HydrophobicContact CB-CE 4.32Å; L387-M391 HydrophobicContact CD1-CG 4.3Å; L387-M391 HydrophobicContact CD1-SD 3.91Å; L387-M391 HydrophobicContact CD2-CE 4.49Å; L387-M391 HydrophobicContact CD2-SD 3.52Å; L387-M391 VanDerWaalsContact CD2-SD 3.52Å; L387-M391 HydrophobicContact CG-SD 4.19Å; P388-M391 HydrophobicContact CB-CB 4.39Å; P388-M391 PolarHBondContact O-N 3.15Å; P388-M391 VanDerWaalsContact O-N 3.16Å; M391-S393 VanDerWaalsContact C-N 3.26Å; M391-S393 PolarHBondContact O-N 2.9Å; M391-A394 PolarHBondContact O-N 2.76Å; M391-A394 VanDerWaalsContact O-N 3.14Å; M391-I395 HydrophobicContact CG-CD1 4.36Å; M391-I395 WeakPolarHBondContact O-CG1 3.21Å; M391-I395 PolarHBondContact O-N 3.43Å
392	L	84	Confident	79.7	Confident	8 Å²	8	63 Å²	63	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-58.8	-41.1	175.2	-176.7	63.4	0	0	0	111.3	A382 P388 I395 R396 M408	A382-L392 VanDerWaalsContact O-CD2 3.27Å; A382-L392 WeakPolarHBondContact O-CD2 3.12Å; P388-L392 PolarHBondContact O-N 2.72Å; L392-I395 PolarHBondContact O-N 3.12Å; L392-R396 WeakPolarHBondContact O-CG 3.32Å; L392-R396 PolarHBondContact O-N 3.26Å; L392-M408 HydrophobicContact CD1-CE 3.5Å
393	S	84.3	Confident	79.8	Confident	70 Å²	70	67.2 Å²	67.2	49%	0.49	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-42.5	174.5	-172.5	0	0	0	0	112.3	A389 D390 M391 R396 Q397	A389-S393 WeakPolarHBondContact O-CB 3.46Å; A389-S393 PolarHBondContact O-N 2.7Å; D390-S393 WeakPolarHBondContact O-CB 3.26Å; D390-S393 PolarHBondContact O-N 3.05Å; M391-S393 VanDerWaalsContact C-N 3.26Å; M391-S393 PolarHBondContact O-N 2.9Å; S393-R396 PolarHBondContact O-N 3.33Å; S393-Q397 PolarHBondContact O-N 3.26Å
394	A	85.8	Confident	79.7	Confident	33 Å²	33	61.1 Å²	61.1	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.3	0	0	0	0	0	111.9	L326 D390 M391 Q397 S398	L326-A394 HydrophobicContact CD1-CB 4.02Å; L326-A394 HydrophobicContact CD2-CB 4.32Å; D390-A394 PolarHBondContact O-N 3.4Å; M391-A394 PolarHBondContact O-N 2.76Å; M391-A394 VanDerWaalsContact O-N 3.14Å; A394-Q397 PolarHBondContact O-N 3.42Å; A394-S398 PolarHBondContact O-N 3.13Å
395	I	84.6	Confident	79.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-48.7	173.9	-68.2	172.4	0	0	0	110.1	F323 L326 I335 L387 M391 L392 Q397 S398 L399 M408	F323-I395 HydrophobicContact CB-CD1 4.45Å; F323-I395 HydrophobicContact CD1-CG1 3.93Å; F323-I395 HydrophobicContact CE1-CG1 4.26Å; F323-I395 HydrophobicContact CE1-CG2 4.49Å; F323-I395 HydrophobicContact CE2-CG2 4.36Å; F323-I395 HydrophobicContact CG-CD1 4.35Å; F323-I395 HydrophobicContact CG-CG1 4.08Å; F323-I395 HydrophobicContact CZ-CG2 4.23Å; L326-I395 HydrophobicContact CD1-CG1 3.6Å; I335-I395 HydrophobicContact CD1-CG2 3.71Å; I335-I395 HydrophobicContact CG2-CD1 4.43Å; L387-I395 HydrophobicContact CD1-CD1 3.35Å; M391-I395 HydrophobicContact CG-CD1 4.36Å; M391-I395 WeakPolarHBondContact O-CG1 3.21Å; M391-I395 PolarHBondContact O-N 3.43Å; L392-I395 PolarHBondContact O-N 3.12Å; I395-Q397 VanDerWaalsContact C-N 3.3Å; I395-Q397 PolarHBondContact O-N 3.36Å; I395-S398 PolarHBondContact O-N 3.35Å; I395-S398 VanDerWaalsContact O-N 3.1Å; I395-S398 PolarHBondContact O-OG 2.91Å; I395-L399 HydrophobicContact CG2-CD1 4.03Å; I395-L399 HydrophobicContact CG2-CG 4.37Å; I395-L399 WeakPolarHBondContact O-CG 3.25Å; I395-L399 PolarHBondContact O-N 3.19Å; I395-M408 HydrophobicContact CG2-SD 3.91Å
396	R	83	Confident	79.3	Confident	48 Å²	48	61.8 Å²	61.8	18%	0.181	35%	0.348	C	S	.	.	H	α-helix	trans	-54.9	-46.4	176.5	-76.3	178.3	-179.2	-179.1	2	112.2	L377 L379 D380 A382 L392 S393 S398 L399 G400	L377-R396 HydrophobicContact CD2-CG 4Å; L379-R396 PolarHBondContact O-NH2 2.96Å; D380-R396 PolarHBondContact O-NH1 3.34Å; D380-R396 VanDerWaalsContact O-NH1 3.15Å; A382-R396 PolarHBondContact O-NH2 2.54Å; L392-R396 WeakPolarHBondContact O-CG 3.32Å; L392-R396 PolarHBondContact O-N 3.26Å; S393-R396 PolarHBondContact O-N 3.33Å; R396-S398 VanDerWaalsContact C-N 3.32Å; R396-S398 PolarHBondContact O-N 3.12Å; R396-L399 PolarHBondContact O-N 3.43Å; R396-G400 PolarHBondContact O-N 2.75Å
397	Q	84.2	Confident	79.7	Confident	163 Å²	163	60.8 Å²	60.8	76%	0.762	34%	0.342	S	S	*	.	H	α-helix	trans	-61.4	-41.6	177.8	-171.9	178.2	21	0	0	111.9	S393 A394 I395 L399 G400	S393-Q397 PolarHBondContact O-N 3.26Å; A394-Q397 PolarHBondContact O-N 3.42Å; I395-Q397 VanDerWaalsContact C-N 3.3Å; I395-Q397 PolarHBondContact O-N 3.36Å; Q397-L399 VanDerWaalsContact C-N 3.29Å; Q397-L399 PolarHBondContact O-N 2.91Å; Q397-G400 PolarHBondContact O-N 3.01Å
398	S	85.6	Confident	80.1	Confident	68 Å²	68	60.5 Å²	60.5	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-28.8	179.2	77.3	0	0	0	0	113.7	F323 A394 I395 R396	F323-S398 WeakPolarHBondContact CE1-OG 3.34Å; F323-S398 WeakPolarHBondContact CZ-OG 3.45Å; A394-S398 PolarHBondContact O-N 3.13Å; I395-S398 PolarHBondContact O-N 3.35Å; I395-S398 VanDerWaalsContact O-N 3.1Å; I395-S398 PolarHBondContact O-OG 2.91Å; R396-S398 VanDerWaalsContact C-N 3.32Å; R396-S398 PolarHBondContact O-N 3.12Å
399	L	84.3	Confident	80.7	Confident	15 Å²	15	57.2 Å²	57.2	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-77.7	-23	-178.1	-72.1	176.7	0	0	0	113.3	M321 F323 I335 L337 L377 I395 R396 Q397 R403 M408	M321-L399 HydrophobicContact CE-CD2 3.86Å; M321-L399 HydrophobicContact SD-CD2 4.15Å; F323-L399 HydrophobicContact CZ-CD2 4.47Å; I335-L399 HydrophobicContact CD1-CD1 3.91Å; I335-L399 HydrophobicContact CD1-CD2 4.14Å; I335-L399 HydrophobicContact CD1-CG 4.4Å; L337-L399 HydrophobicContact CD1-CD1 4.16Å; L337-L399 HydrophobicContact CD1-CD2 3.86Å; L337-L399 HydrophobicContact CD2-CD1 3.93Å; L377-L399 HydrophobicContact CD1-CD1 3.95Å; I395-L399 HydrophobicContact CG2-CD1 4.03Å; I395-L399 HydrophobicContact CG2-CG 4.37Å; I395-L399 WeakPolarHBondContact O-CG 3.25Å; I395-L399 PolarHBondContact O-N 3.19Å; R396-L399 PolarHBondContact O-N 3.43Å; Q397-L399 VanDerWaalsContact C-N 3.29Å; Q397-L399 PolarHBondContact O-N 2.91Å; L399-R403 HydrophobicContact CB-CB 4.27Å; L399-R403 VanDerWaalsContact O-CD 3.3Å; L399-R403 WeakPolarHBondContact O-CD 3.41Å; L399-R403 WeakPolarHBondContact O-CG 3.47Å; L399-M408 HydrophobicContact CD1-SD 4.32Å
400	G	78.5	Confident	81.2	Confident	30 Å²	30	53.3 Å²	53.3	31%	0.309	29%	0.287	S	S	.	.			trans	74.2	160	-175.7	0	0	0	0	0	114.1	R396 Q397 D402 R403	R396-G400 PolarHBondContact O-N 2.75Å; Q397-G400 PolarHBondContact O-N 3.01Å; G400-D402 VanDerWaalsContact C-N 3.3Å; G400-D402 PolarHBondContact O-N 2.67Å; G400-R403 PolarHBondContact O-N 2.63Å
401	D	69.5	Low	81.6	Confident	136 Å²	136	47.6 Å²	47.6	73%	0.727	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-62	-33	-171.5	-66.8	-22.9	0	0	0	113.5	R403 L404	D401-R403 PolarHBondContact O-N 3.23Å; D401-L404 HydrophobicContact CB-CD1 4.19Å; D401-L404 WeakPolarHBondContact O-CB 3.25Å; D401-L404 WeakPolarHBondContact O-CG 3.04Å; D401-L404 PolarHBondContact O-N 3.32Å; D401-L404 VanDerWaalsContact O-N 3.15Å
402	D	66.3	Low	82	Confident	151 Å²	151	47.6 Å²	47.6	81%	0.807	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.5	-13.5	-179	-64	-24.6	0	0	0	113.9	G400	G400-D402 VanDerWaalsContact C-N 3.3Å; G400-D402 PolarHBondContact O-N 2.67Å
403	R	68.5	Low	82.4	Confident	109 Å²	109	47.8 Å²	47.8	41%	0.411	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-103.8	-5.3	-179.1	-63	-168.1	-178	-167.1	0.3	113.6	M321 L337 L399 G400 D401 E405 S406	M321-R403 PolarHBondContact SD-NH1 2.79Å; L337-R403 HydrophobicContact CD1-CB 4Å; L337-R403 HydrophobicContact CD1-CG 4.27Å; L399-R403 HydrophobicContact CB-CB 4.27Å; L399-R403 VanDerWaalsContact O-CD 3.3Å; L399-R403 WeakPolarHBondContact O-CD 3.41Å; L399-R403 WeakPolarHBondContact O-CG 3.47Å; G400-R403 PolarHBondContact O-N 2.63Å; D401-R403 PolarHBondContact O-N 3.23Å; R403-E405 PolarHBondContact O-N 2.9Å; R403-E405 VanDerWaalsContact O-N 3.08Å; R403-S406 WeakPolarHBondContact O-CB 3.42Å; R403-S406 PolarHBondContact O-N 2.78Å; R403-S406 VanDerWaalsContact O-N 3.11Å; R403-S406 PolarHBondContact O-OG 2.85Å
404	L	65.1	Low	82.7	Confident	55 Å²	55	49.8 Å²	49.8	29%	0.288	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16	-179.2	-66.9	172.5	0	0	0	113.3	L377 K378 D401 S406	L377-L404 CarbonylContact C-O 3.46Å; L377-L404 VanDerWaalsContact C-O 3.25Å; L377-L404 HydrophobicContact CB-CD2 4.42Å; L377-L404 VanDerWaalsContact CB-O 3.31Å; L377-L404 WeakPolarHBondContact CB-O 3.49Å; K378-L404 VanDerWaalsContact CG-O 3.3Å; K378-L404 WeakPolarHBondContact CG-O 3.21Å; K378-L404 PolarHBondContact N-O 2.94Å; D401-L404 HydrophobicContact CB-CD1 4.19Å; D401-L404 WeakPolarHBondContact O-CB 3.25Å; D401-L404 WeakPolarHBondContact O-CG 3.04Å; D401-L404 PolarHBondContact O-N 3.32Å; D401-L404 VanDerWaalsContact O-N 3.15Å; L404-S406 PolarHBondContact O-N 3.27Å
405	E	66.9	Low	83	Confident	100 Å²	100	50.9 Å²	50.9	47%	0.467	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.1	175.7	-57.1	-148	113.3	0	0	115.5	P345 K378 R403	P345-E405 HydrophobicContact CB-CB 4.45Å; P345-E405 WeakPolarHBondContact CB-O 3.5Å; P345-E405 HydrophobicContact CG-CB 4.06Å; K378-E405 VanDerWaalsContact CE-CB 3.46Å; K378-E405 WeakPolarHBondContact CE-OE1 3.13Å; K378-E405 IonicContact NZ-OE1 2.72Å; K378-E405 PolarHBondContact NZ-OE1 3.05Å; R403-E405 PolarHBondContact O-N 2.9Å; R403-E405 VanDerWaalsContact O-N 3.08Å
406	S	79.3	Confident	83.3	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-98.4	149.2	-175.1	-35.9	0	0	0	0	111.8	K339 L377 R403 L404	K339-S406 WeakPolarHBondContact CE-OG 3.44Å; L377-S406 WeakPolarHBondContact CB-O 3.49Å; L377-S406 PolarHBondContact N-O 3.42Å; R403-S406 WeakPolarHBondContact O-CB 3.42Å; R403-S406 PolarHBondContact O-N 2.78Å; R403-S406 VanDerWaalsContact O-N 3.11Å; R403-S406 PolarHBondContact O-OG 2.85Å; L404-S406 PolarHBondContact O-N 3.27Å
407	I	89.1	Confident	83.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.4	159.6	-59.6	-46.6	0	0	0	107.7	A338 L346 M348 V374 D376	A338-I407 HydrophobicContact CB-CB 4.32Å; A338-I407 PolarHBondContact N-O 3.48Å; A338-I407 PolarHBondContact O-N 2.85Å; L346-I407 HydrophobicContact CB-CG1 4.06Å; L346-I407 WeakPolarHBondContact O-CD1 3.4Å; L346-I407 WeakPolarHBondContact O-CG1 3.4Å; M348-I407 HydrophobicContact CG-CD1 3.79Å; M348-I407 HydrophobicContact SD-CD1 3.46Å; M348-I407 WeakPolarHBondContact SD-CD1 3.48Å; M348-I407 HydrophobicContact SD-CG1 4.3Å; M348-I407 HydrophobicContact SD-CG2 4.08Å; V374-I407 HydrophobicContact CG1-CG2 3.46Å; V374-I407 VanDerWaalsContact CG1-CG2 3.46Å; D376-I407 HydrophobicContact CB-CD1 4.28Å
408	M	91.1	Very high	84.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.2	175.3	-175.5	-179.2	72.4	0	0	109.5	I335 L337 V375 L377 L392 I395 L399 V410	I335-M408 HydrophobicContact CB-CG 4.1Å; I335-M408 HydrophobicContact CB-SD 4.32Å; I335-M408 HydrophobicContact CD1-CG 4.1Å; I335-M408 HydrophobicContact CD1-SD 3.68Å; I335-M408 HydrophobicContact CG2-CG 4.41Å; I335-M408 HydrophobicContact CG2-SD 4.13Å; L337-M408 HydrophobicContact CD2-CB 3.77Å; L337-M408 HydrophobicContact CD2-CG 3.84Å; V375-M408 HydrophobicContact CB-CB 4.49Å; V375-M408 HydrophobicContact CB-CE 3.97Å; V375-M408 HydrophobicContact CG1-CE 4.28Å; V375-M408 HydrophobicContact CG2-CE 4.13Å; V375-M408 PolarHBondContact N-O 2.9Å; V375-M408 PolarHBondContact O-N 2.8Å; L377-M408 HydrophobicContact CD1-CB 4.01Å; L377-M408 HydrophobicContact CD2-CB 4.06Å; L377-M408 HydrophobicContact CD2-CE 4.06Å; L377-M408 HydrophobicContact CD2-SD 4.03Å; L377-M408 HydrophobicContact CG-CB 3.87Å; L392-M408 HydrophobicContact CD1-CE 3.5Å; I395-M408 HydrophobicContact CG2-SD 3.91Å; L399-M408 HydrophobicContact CD1-SD 4.32Å; M408-V410 HydrophobicContact CE-CB 4.39Å; M408-V410 HydrophobicContact CE-CG1 4.36Å
409	V	93.9	Very high	84.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	166.9	-175.2	0	0	0	0	107.5	I335 F336 F372 D373 V374 L423 M426 L430	I335-V409 CarbonylContact C-O 3.59Å; I335-V409 WeakPolarHBondContact CA-O 3.42Å; I335-V409 WeakPolarHBondContact CB-O 3.27Å; F336-V409 HydrophobicContact CD1-CB 4.04Å; F336-V409 HydrophobicContact CD2-CB 4.49Å; F336-V409 HydrophobicContact CE1-CB 3.5Å; F336-V409 VanDerWaalsContact CE1-CB 3.5Å; F336-V409 HydrophobicContact CE1-CG1 3.8Å; F336-V409 HydrophobicContact CE1-CG2 3.98Å; F336-V409 HydrophobicContact CE2-CB 4Å; F336-V409 HydrophobicContact CE2-CG2 3.7Å; F336-V409 HydrophobicContact CZ-CB 3.48Å; F336-V409 VanDerWaalsContact CZ-CB 3.48Å; F336-V409 HydrophobicContact CZ-CG1 4.02Å; F336-V409 HydrophobicContact CZ-CG2 3.38Å; F336-V409 PolarHBondContact N-O 3.02Å; F336-V409 PolarHBondContact O-N 2.99Å; F372-V409 HydrophobicContact CD2-CG1 4.27Å; D373-V409 WeakPolarHBondContact O-CA 3.47Å; V374-V409 HydrophobicContact CG1-CG2 4.29Å; V374-V409 HydrophobicContact CG2-CG2 4.2Å; V409-L423 HydrophobicContact CG1-CD2 3.94Å; V409-M426 HydrophobicContact CG1-CB 4.32Å; V409-L430 HydrophobicContact CG2-CD2 3.92Å
410	V	93.1	Very high	85.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.6	-176.6	57.3	0	0	0	0	110.1	I335 F372 D373 V375 L387 M408	I335-V410 HydrophobicContact CG2-CB 3.72Å; I335-V410 HydrophobicContact CG2-CG2 3.63Å; F372-V410 CarbonylContact C-O 3.53Å; F372-V410 WeakPolarHBondContact CA-O 3.37Å; F372-V410 WeakPolarHBondContact CB-O 3.28Å; D373-V410 HydrophobicContact CB-CG1 3.96Å; D373-V410 PolarHBondContact N-O 2.88Å; D373-V410 PolarHBondContact O-N 2.94Å; V375-V410 HydrophobicContact CG2-CG1 4.28Å; L387-V410 HydrophobicContact CD1-CG2 3.49Å; L387-V410 VanDerWaalsContact CD1-CG2 3.49Å; L387-V410 HydrophobicContact CD2-CG2 4.4Å; L387-V410 HydrophobicContact CG-CG2 3.8Å; M408-V410 HydrophobicContact CE-CB 4.39Å; M408-V410 HydrophobicContact CE-CG1 4.36Å
411	A	93.6	Very high	86.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.3	171.5	0	0	0	0	0	110.3	S333 S334 T371 F372 V419 L423	S333-A411 WeakPolarHBondContact CA-O 3.48Å; S333-A411 PolarHBondContact OG-O 3.45Å; S334-A411 PolarHBondContact N-O 3.3Å; S334-A411 VanDerWaalsContact N-O 3.13Å; S334-A411 PolarHBondContact O-N 3.08Å; T371-A411 VanDerWaalsContact O-CA 3.26Å; T371-A411 WeakPolarHBondContact O-CA 3.35Å; T371-A411 WeakPolarHBondContact O-CB 3.37Å; F372-A411 HydrophobicContact CB-CB 4.01Å; A411-V419 HydrophobicContact CB-CG1 4.06Å; A411-V419 WeakPolarHBondContact O-CG1 3.37Å; A411-L423 HydrophobicContact CB-CD1 4.19Å; A411-L423 HydrophobicContact CB-CD2 3.76Å; A411-L423 HydrophobicContact CB-CG 3.79Å
412	C	91.6	Very high	87.4	Confident	13 Å²	13	39 Å²	39	9%	0.088	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.4	178.6	-168.4	0	0	0	0	110.6	H332 T371 V386 L387	H332-C412 CarbonylContact O-C 3.47Å; H332-C412 VanDerWaalsContact O-CA 3.23Å; H332-C412 WeakPolarHBondContact O-CA 3.49Å; H332-C412 PolarHBondContact O-SG 2.88Å; H332-C412 VanDerWaalsContact O-SG 3.36Å; T371-C412 PolarHBondContact O-N 3.07Å; V386-C412 HydrophobicContact CG1-CB 3.45Å; V386-C412 VanDerWaalsContact CG1-CB 3.45Å; L387-C412 HydrophobicContact CD2-CB 3.83Å
413	S	92.5	Very high	88.8	Confident	11 Å²	11	31.8 Å²	31.8	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	167.6	179.8	-177.9	0	0	0	0	111.8	H332 K369 D415	H332-S413 PolarHBondContact N-O 2.67Å; H332-S413 PolarHBondContact O-N 3.36Å; K369-S413 WeakPolarHBondContact O-CB 3.35Å; K369-S413 PolarHBondContact O-OG 3.45Å; S413-D415 PolarHBondContact OG-N 3Å; S413-D415 VanDerWaalsContact OG-N 3.14Å
414	D	90	Very high	90.2	Very high	113 Å²	113	26.8 Å²	26.8	60%	0.604	14%	0.138	S	C	*	.	S	Bend	trans	-76.9	-6.1	166.1	65.1	-19.6	0	0	0	113.4
415	D	91.5	Very high	91.6	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.294	14%	0.136	S	C	.	.			trans	-118.4	104.2	177.5	175.3	25.4	0	0	0	111.6	S413 N417 S418 V419	S413-D415 PolarHBondContact OG-N 3Å; S413-D415 VanDerWaalsContact OG-N 3.14Å; D415-N417 PolarHBondContact O-N 3Å; D415-N417 PolarHBondContact OD1-N 2.66Å; D415-N417 VanDerWaalsContact OD1-N 3.15Å; D415-S418 WeakPolarHBondContact O-CB 3.1Å; D415-S418 PolarHBondContact O-N 3.21Å; D415-S418 VanDerWaalsContact OD2-CB 3.25Å; D415-S418 WeakPolarHBondContact OD2-CB 3.37Å; D415-S418 PolarHBondContact OD2-N 3.14Å; D415-S418 PolarHBondContact OD2-OG 3.18Å; D415-V419 PolarHBondContact O-N 3.47Å; D415-V419 VanDerWaalsContact O-N 3.14Å
416	Q	92.4	Very high	93.1	Very high	65 Å²	65	21.7 Å²	21.7	30%	0.304	11%	0.114	S	C	.	.	H	α-helix	trans	-51.1	-43	177.1	-175.6	-179	-5.7	0	0	112.5	H332 S418 V419 E420	H332-Q416 HydrophobicContact CB-CB 4.17Å; H332-Q416 PolarHBondContact CD2-N 3.14Å; Q416-S418 VanDerWaalsContact C-N 3.31Å; Q416-S418 PolarHBondContact O-N 3.05Å; Q416-V419 WeakPolarHBondContact O-CB 3.21Å; Q416-V419 PolarHBondContact O-N 3.44Å; Q416-E420 HydrophobicContact CG-CG 4.43Å; Q416-E420 PolarHBondContact NE2-OE1 3.09Å; Q416-E420 WeakPolarHBondContact O-CG 3.06Å; Q416-E420 PolarHBondContact O-N 3.34Å
417	N	92.1	Very high	93.9	Very high	64 Å²	64	21.7 Å²	21.7	34%	0.342	11%	0.114	S	C	.	.	H	α-helix	trans	-67.1	-34.9	-177.2	169.7	70.2	0	0	0	111.3	D415 Q421	D415-N417 PolarHBondContact O-N 3Å; D415-N417 PolarHBondContact OD1-N 2.66Å; D415-N417 VanDerWaalsContact OD1-N 3.15Å; N417-Q421 VanDerWaalsContact CG-NE2 3.27Å; N417-Q421 PolarHBondContact ND2-NE2 3.33Å; N417-Q421 WeakPolarHBondContact O-CB 3.41Å; N417-Q421 VanDerWaalsContact O-CG 3.27Å; N417-Q421 WeakPolarHBondContact O-CG 3.47Å; N417-Q421 PolarHBondContact O-N 3.39Å; N417-Q421 PolarHBondContact OD1-NE2 3.31Å
418	S	94	Very high	94.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-42.4	172.1	-73.3	0	0	0	0	112.3	L368 K369 D415 Q416 I422	L368-S418 WeakPolarHBondContact CA-OG 3.46Å; K369-S418 PolarHBondContact N-OG 3.43Å; D415-S418 WeakPolarHBondContact O-CB 3.1Å; D415-S418 PolarHBondContact O-N 3.21Å; D415-S418 VanDerWaalsContact OD2-CB 3.25Å; D415-S418 WeakPolarHBondContact OD2-CB 3.37Å; D415-S418 PolarHBondContact OD2-N 3.14Å; D415-S418 PolarHBondContact OD2-OG 3.18Å; Q416-S418 VanDerWaalsContact C-N 3.31Å; Q416-S418 PolarHBondContact O-N 3.05Å; S418-I422 WeakPolarHBondContact O-CB 3.48Å; S418-I422 WeakPolarHBondContact O-CG1 3.3Å; S418-I422 PolarHBondContact O-N 3.47Å
419	V	95.4	Very high	94.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-52.8	177	175.6	0	0	0	0	110.6	H332 A370 A411 D415 Q416 Q421 I422 L423	H332-V419 HydrophobicContact CB-CG2 4.28Å; A370-V419 HydrophobicContact CB-CG2 4.23Å; A411-V419 HydrophobicContact CB-CG1 4.06Å; A411-V419 WeakPolarHBondContact O-CG1 3.37Å; D415-V419 PolarHBondContact O-N 3.47Å; D415-V419 VanDerWaalsContact O-N 3.14Å; Q416-V419 WeakPolarHBondContact O-CB 3.21Å; Q416-V419 PolarHBondContact O-N 3.44Å; V419-Q421 PolarHBondContact O-N 3.49Å; V419-I422 PolarHBondContact O-N 3.18Å; V419-L423 HydrophobicContact CG1-CD1 3.97Å; V419-L423 WeakPolarHBondContact O-CG 3.4Å; V419-L423 PolarHBondContact O-N 3.39Å; V419-L423 VanDerWaalsContact O-N 3.09Å
420	E	96.4	Very high	94.5	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-48.9	-178.4	-72.1	171	166.1	0	0	111	V304 G308 L320 Q416 I422 L423 G424	V304-E420 HydrophobicContact CG1-CB 4.31Å; V304-E420 VanDerWaalsContact CG1-OE2 3.25Å; V304-E420 WeakPolarHBondContact CG1-OE2 3.45Å; G308-E420 WeakPolarHBondContact CA-O 3.5Å; L320-E420 HydrophobicContact CD1-CB 4.46Å; L320-E420 HydrophobicContact CD1-CG 4.45Å; Q416-E420 HydrophobicContact CG-CG 4.43Å; Q416-E420 PolarHBondContact NE2-OE1 3.09Å; Q416-E420 WeakPolarHBondContact O-CG 3.06Å; Q416-E420 PolarHBondContact O-N 3.34Å; E420-I422 PolarHBondContact O-N 3.33Å; E420-L423 PolarHBondContact O-N 2.99Å; E420-G424 PolarHBondContact O-N 3Å
421	Q	95.8	Very high	94.6	Very high	64 Å²	64	25.2 Å²	25.2	30%	0.299	13%	0.134	S	C	.	.	H	α-helix	trans	-64.1	-41.1	-179.1	-72.8	-171.2	44.6	0	0	113.5	G308 L368 N417 V419 G424 L425	G308-Q421 WeakPolarHBondContact O-CA 3.44Å; L368-Q421 HydrophobicContact CD1-CB 4.13Å; L368-Q421 HydrophobicContact CD2-CB 4.05Å; N417-Q421 VanDerWaalsContact CG-NE2 3.27Å; N417-Q421 PolarHBondContact ND2-NE2 3.33Å; N417-Q421 WeakPolarHBondContact O-CB 3.41Å; N417-Q421 VanDerWaalsContact O-CG 3.27Å; N417-Q421 WeakPolarHBondContact O-CG 3.47Å; N417-Q421 PolarHBondContact O-N 3.39Å; N417-Q421 PolarHBondContact OD1-NE2 3.31Å; V419-Q421 PolarHBondContact O-N 3.49Å; Q421-G424 PolarHBondContact O-N 3.03Å; Q421-L425 WeakPolarHBondContact O-CG 3.47Å; Q421-L425 PolarHBondContact O-N 2.89Å
422	I	96	Very high	94.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-46	176.9	-73	-169.5	0	0	0	110.7	F361 L368 A370 F372 S418 V419 E420 G424 L425 M426	F361-I422 HydrophobicContact CD1-CD1 4.4Å; F361-I422 HydrophobicContact CD1-CG1 4.06Å; F361-I422 HydrophobicContact CE1-CB 4.34Å; F361-I422 HydrophobicContact CE1-CG1 4.13Å; F361-I422 HydrophobicContact CE1-CG2 4.17Å; F361-I422 HydrophobicContact CZ-CG2 4.46Å; L368-I422 HydrophobicContact CB-CD1 4.05Å; L368-I422 HydrophobicContact CB-CG1 4.02Å; L368-I422 HydrophobicContact CD1-CG1 3.79Å; A370-I422 HydrophobicContact CB-CD1 3.6Å; A370-I422 HydrophobicContact CB-CG1 4.36Å; A370-I422 WeakPolarHBondContact O-CD1 3.47Å; F372-I422 HydrophobicContact CB-CG2 4Å; F372-I422 HydrophobicContact CD1-CG2 3.73Å; F372-I422 HydrophobicContact CG-CG2 4.13Å; S418-I422 WeakPolarHBondContact O-CB 3.48Å; S418-I422 WeakPolarHBondContact O-CG1 3.3Å; S418-I422 PolarHBondContact O-N 3.47Å; V419-I422 PolarHBondContact O-N 3.18Å; E420-I422 PolarHBondContact O-N 3.33Å; I422-G424 VanDerWaalsContact C-N 3.33Å; I422-G424 PolarHBondContact O-N 2.85Å; I422-L425 PolarHBondContact O-N 3.05Å; I422-M426 HydrophobicContact CG2-CG 4.4Å; I422-M426 WeakPolarHBondContact O-CB 3.34Å; I422-M426 WeakPolarHBondContact O-CG 3.43Å; I422-M426 PolarHBondContact O-N 3Å
423	L	97.3	Very high	94.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-40.7	178.5	-67.3	172.3	0	0	0	111.4	L320 S334 F336 V409 A411 V419 E420 L425 M426 R427	L320-L423 HydrophobicContact CD1-CB 4.07Å; L320-L423 HydrophobicContact CD1-CD1 4.34Å; L320-L423 HydrophobicContact CD2-CB 3.56Å; L320-L423 HydrophobicContact CD2-CD1 4.13Å; L320-L423 HydrophobicContact CD2-CG 4.45Å; L320-L423 HydrophobicContact CG-CB 4.49Å; S334-L423 VanDerWaalsContact C-CD1 3.48Å; S334-L423 VanDerWaalsContact CB-CD1 3.47Å; S334-L423 VanDerWaalsContact O-CD1 3.25Å; S334-L423 WeakPolarHBondContact O-CD1 3.44Å; F336-L423 HydrophobicContact CD1-CB 4.23Å; F336-L423 HydrophobicContact CD1-CD2 4.04Å; F336-L423 HydrophobicContact CE1-CB 4.39Å; F336-L423 HydrophobicContact CE1-CD2 4.08Å; V409-L423 HydrophobicContact CG1-CD2 3.94Å; A411-L423 HydrophobicContact CB-CD1 4.19Å; A411-L423 HydrophobicContact CB-CD2 3.76Å; A411-L423 HydrophobicContact CB-CG 3.79Å; V419-L423 HydrophobicContact CG1-CD1 3.97Å; V419-L423 WeakPolarHBondContact O-CG 3.4Å; V419-L423 PolarHBondContact O-N 3.39Å; V419-L423 VanDerWaalsContact O-N 3.09Å; E420-L423 PolarHBondContact O-N 2.99Å; L423-L425 PolarHBondContact O-N 2.54Å; L423-M426 PolarHBondContact O-N 2.82Å; L423-R427 VanDerWaalsContact O-CG 3.32Å; L423-R427 WeakPolarHBondContact O-CG 3.14Å; L423-R427 PolarHBondContact O-N 3.33Å
424	G	97	Very high	94.6	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-44.5	175.2	0	0	0	0	0	113.2	Y307 E420 Q421 I422	Y307-G424 WeakPolarHBondContact O-CA 3.35Å; E420-G424 PolarHBondContact O-N 3Å; Q421-G424 PolarHBondContact O-N 3.03Å; I422-G424 VanDerWaalsContact C-N 3.33Å; I422-G424 PolarHBondContact O-N 2.85Å
425	L	95.9	Very high	94.7	Very high	47 Å²	47	25.7 Å²	25.7	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-45.8	173.9	-72.2	168.3	0	0	0	111.3	F361 Y365 L368 Q421 I422 L423 R427 T428 L429	F361-L425 HydrophobicContact CD1-CD1 4.34Å; F361-L425 HydrophobicContact CE1-CB 3.62Å; F361-L425 HydrophobicContact CE1-CD1 3.53Å; F361-L425 HydrophobicContact CE1-CG 4.22Å; F361-L425 HydrophobicContact CZ-CB 3.54Å; F361-L425 HydrophobicContact CZ-CD1 4.29Å; Y365-L425 HydrophobicContact CD1-CD1 4.23Å; Y365-L425 HydrophobicContact CD2-CD1 4.29Å; Y365-L425 HydrophobicContact CE1-CD1 3.96Å; Y365-L425 HydrophobicContact CE2-CD1 4.03Å; Y365-L425 HydrophobicContact CG-CD1 4.39Å; L368-L425 HydrophobicContact CD1-CD1 4.28Å; Q421-L425 WeakPolarHBondContact O-CG 3.47Å; Q421-L425 PolarHBondContact O-N 2.89Å; I422-L425 PolarHBondContact O-N 3.05Å; L423-L425 PolarHBondContact O-N 2.54Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 2.87Å; L425-T428 PolarHBondContact O-N 2.79Å; L425-T428 PolarHBondContact O-OG1 3.21Å; L425-L429 WeakPolarHBondContact O-CG 3.28Å; L425-L429 PolarHBondContact O-N 2.87Å
426	M	96.5	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-36.8	179.4	-83.3	-57.5	-60.6	0	0	113.3	F336 W357 F361 F372 V374 V409 I422 L423 T428 L429 L430	F336-M426 HydrophobicContact CE1-CB 4.1Å; F336-M426 HydrophobicContact CZ-CB 4.24Å; W357-M426 HydrophobicContact CB-SD 4.28Å; W357-M426 HydrophobicContact CD2-CE 4.23Å; W357-M426 HydrophobicContact CD2-SD 4.42Å; W357-M426 HydrophobicContact CE3-CE 3.73Å; W357-M426 HydrophobicContact CE3-SD 4.44Å; W357-M426 HydrophobicContact CG-SD 4.4Å; W357-M426 HydrophobicContact CZ3-CE 4.04Å; F361-M426 HydrophobicContact CE2-CG 3.94Å; F361-M426 HydrophobicContact CE2-SD 3.57Å; F361-M426 VanDerWaalsContact CE2-SD 3.57Å; F361-M426 HydrophobicContact CZ-CG 3.86Å; F361-M426 HydrophobicContact CZ-SD 4.05Å; F372-M426 HydrophobicContact CD1-CG 4.37Å; F372-M426 HydrophobicContact CD2-CE 4.14Å; F372-M426 HydrophobicContact CD2-CG 4.14Å; F372-M426 HydrophobicContact CD2-SD 4.24Å; F372-M426 HydrophobicContact CE1-CG 4.36Å; F372-M426 HydrophobicContact CE1-SD 4.12Å; F372-M426 HydrophobicContact CE2-CE 3.57Å; F372-M426 HydrophobicContact CE2-CG 4.14Å; F372-M426 HydrophobicContact CE2-SD 3.64Å; F372-M426 HydrophobicContact CG-CG 4.27Å; F372-M426 HydrophobicContact CZ-CE 4.09Å; F372-M426 HydrophobicContact CZ-CG 4.25Å; F372-M426 HydrophobicContact CZ-SD 3.57Å; F372-M426 VanDerWaalsContact CZ-SD 3.57Å; V374-M426 HydrophobicContact CG2-CE 4.25Å; V409-M426 HydrophobicContact CG1-CB 4.32Å; I422-M426 HydrophobicContact CG2-CG 4.4Å; I422-M426 WeakPolarHBondContact O-CB 3.34Å; I422-M426 WeakPolarHBondContact O-CG 3.43Å; I422-M426 PolarHBondContact O-N 3Å; L423-M426 PolarHBondContact O-N 2.82Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3.09Å; M426-L429 PolarHBondContact O-N 3.49Å; M426-L429 HydrophobicContact SD-CD1 4.24Å; M426-L430 WeakPolarHBondContact O-CB 3.12Å; M426-L430 PolarHBondContact O-N 3.21Å
427	R	97.2	Very high	93.9	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-52.3	-50.1	173.9	-76.3	174	65.7	-116.2	-8.2	111.5	Y307 D313 F316 W318 F336 L423 L425 A431	Y307-R427 PolarHBondContact O-NH1 3.22Å; D313-R427 PolarHBondContact O-NH2 2.9Å; F316-R427 HydrophobicContact CE2-CB 4.1Å; F316-R427 VanDerWaalsContact CE2-NH2 3.28Å; F316-R427 HydrophobicContact CZ-CB 4.34Å; W318-R427 WeakPolarHBondContact O-CD 3.07Å; W318-R427 PolarHBondContact O-NE 3.19Å; F336-R427 HydrophobicContact CD1-CG 3.66Å; F336-R427 HydrophobicContact CD2-CG 4.11Å; F336-R427 HydrophobicContact CE1-CB 4.48Å; F336-R427 HydrophobicContact CE1-CG 3.59Å; F336-R427 HydrophobicContact CE2-CG 4.05Å; F336-R427 HydrophobicContact CG-CG 3.92Å; F336-R427 HydrophobicContact CZ-CB 4.37Å; F336-R427 HydrophobicContact CZ-CG 3.79Å; L423-R427 VanDerWaalsContact O-CG 3.32Å; L423-R427 WeakPolarHBondContact O-CG 3.14Å; L423-R427 PolarHBondContact O-N 3.33Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 2.87Å; R427-A431 WeakPolarHBondContact O-CB 3.4Å; R427-A431 PolarHBondContact O-N 2.9Å; R427-A431 VanDerWaalsContact O-N 3.08Å
428	T	95.6	Very high	92.7	Very high	43 Å²	43	21.6 Å²	21.6	26%	0.264	12%	0.116	S	C	.	.	H	α-helix	trans	-72.1	-42.5	-177.9	60.8	0	0	0	0	112.5	L425 M426 L430 A431 D432	L425-T428 PolarHBondContact O-N 2.79Å; L425-T428 PolarHBondContact O-OG1 3.21Å; M426-T428 VanDerWaalsContact C-N 3.3Å; M426-T428 PolarHBondContact O-N 3.09Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.81Å; T428-A431 PolarHBondContact O-N 2.88Å; T428-D432 WeakPolarHBondContact O-CB 3.37Å; T428-D432 VanDerWaalsContact O-CG 3.23Å; T428-D432 PolarHBondContact O-N 3.21Å
429	L	95.3	Very high	91	Very high	32 Å²	32	27 Å²	27	17%	0.168	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-38.9	177.5	-72	173.2	0	0	0	112.6	W357 F361 L425 M426 H433	W357-L429 HydrophobicContact CZ2-CB 4.49Å; F361-L429 HydrophobicContact CE2-CD1 3.73Å; F361-L429 HydrophobicContact CZ-CD1 3.92Å; L425-L429 WeakPolarHBondContact O-CG 3.28Å; L425-L429 PolarHBondContact O-N 2.87Å; M426-L429 PolarHBondContact O-N 3.49Å; M426-L429 HydrophobicContact SD-CD1 4.24Å; L429-H433 WeakPolarHBondContact O-CB 3.39Å; L429-H433 PolarHBondContact O-N 3.15Å
430	L	95.6	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-42	178.6	-174.1	63.2	0	0	0	111.2	W318 F336 A338 P349 W357 V409 M426 T428 D432 H433 Y434	W318-L430 HydrophobicContact CH2-CG 4.4Å; W318-L430 HydrophobicContact CZ3-CB 4.13Å; W318-L430 HydrophobicContact CZ3-CD2 4.13Å; W318-L430 HydrophobicContact CZ3-CG 4.12Å; F336-L430 HydrophobicContact CE2-CD2 4Å; F336-L430 HydrophobicContact CZ-CD2 4.29Å; A338-L430 HydrophobicContact CB-CD2 3.74Å; P349-L430 HydrophobicContact CG-CD1 3.73Å; W357-L430 HydrophobicContact CH2-CD1 3.78Å; W357-L430 HydrophobicContact CZ3-CD1 4.19Å; V409-L430 HydrophobicContact CG2-CD2 3.92Å; M426-L430 WeakPolarHBondContact O-CB 3.12Å; M426-L430 PolarHBondContact O-N 3.21Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 2.81Å; L430-D432 PolarHBondContact O-N 3.19Å; L430-H433 WeakPolarHBondContact O-CB 3Å; L430-H433 PolarHBondContact O-N 2.94Å; L430-Y434 HydrophobicContact CD1-CD2 4.11Å; L430-Y434 HydrophobicContact CD1-CE2 3.41Å; L430-Y434 VanDerWaalsContact CD1-CE2 3.41Å; L430-Y434 HydrophobicContact CD2-CE2 4.04Å; L430-Y434 HydrophobicContact CG-CD2 3.98Å; L430-Y434 HydrophobicContact CG-CE2 3.47Å; L430-Y434 VanDerWaalsContact CG-CE2 3.47Å; L430-Y434 WeakPolarHBondContact O-CD2 3.14Å; L430-Y434 PolarHBondContact O-N 3.4Å; L430-Y434 VanDerWaalsContact O-N 3.12Å
431	A	95.1	Very high	87	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-46.6	173.6	0	0	0	0	0	111.7	F316 W318 R427 T428 H433 Y434 E435 I460	F316-A431 HydrophobicContact CE1-CB 4.24Å; F316-A431 HydrophobicContact CZ-CB 4.2Å; W318-A431 HydrophobicContact CH2-CB 4.15Å; W318-A431 HydrophobicContact CZ3-CB 3.92Å; R427-A431 WeakPolarHBondContact O-CB 3.4Å; R427-A431 PolarHBondContact O-N 2.9Å; R427-A431 VanDerWaalsContact O-N 3.08Å; T428-A431 PolarHBondContact O-N 2.88Å; A431-H433 VanDerWaalsContact C-N 3.29Å; A431-H433 PolarHBondContact O-N 3.4Å; A431-Y434 PolarHBondContact O-N 3Å; A431-E435 WeakPolarHBondContact O-CG 3.36Å; A431-E435 PolarHBondContact O-N 3.33Å; A431-E435 VanDerWaalsContact O-N 3.08Å; A431-I460 HydrophobicContact CB-CB 4.35Å; A431-I460 HydrophobicContact CB-CG2 3.78Å
432	D	93	Very high	85	Confident	80 Å²	80	40.6 Å²	40.6	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-38.6	176.2	-71.4	-4	0	0	0	112.2	T428 L430 S436 R461	T428-D432 WeakPolarHBondContact O-CB 3.37Å; T428-D432 VanDerWaalsContact O-CG 3.23Å; T428-D432 PolarHBondContact O-N 3.21Å; L430-D432 PolarHBondContact O-N 3.19Å; D432-S436 VanDerWaalsContact O-CB 3.25Å; D432-S436 WeakPolarHBondContact O-CB 3.3Å; D432-S436 PolarHBondContact O-N 2.97Å; D432-S436 PolarHBondContact O-OG 2.92Å; D432-R461 IonicContact OD1-CZ 3.41Å; D432-R461 IonicContact OD1-NH1 2.91Å; D432-R461 PolarHBondContact OD1-NH1 2.78Å; D432-R461 IonicContact OD1-NH2 3.1Å; D432-R461 PolarHBondContact OD1-NH2 2.86Å
433	H	93.3	Very high	82.7	Confident	19 Å²	19	49.5 Å²	49.5	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-52.1	177.5	172.9	70.8	0	0	0	111.6	W357 L429 L430 A431 E435 S436 I437	W357-H433 HydrophobicContact CH2-CB 3.97Å; W357-H433 HydrophobicContact CZ2-CB 3.75Å; L429-H433 WeakPolarHBondContact O-CB 3.39Å; L429-H433 PolarHBondContact O-N 3.15Å; L430-H433 WeakPolarHBondContact O-CB 3Å; L430-H433 PolarHBondContact O-N 2.94Å; A431-H433 VanDerWaalsContact C-N 3.29Å; A431-H433 PolarHBondContact O-N 3.4Å; H433-E435 PolarHBondContact O-N 2.95Å; H433-S436 WeakPolarHBondContact O-CB 3.47Å; H433-S436 PolarHBondContact O-N 2.63Å; H433-S436 VanDerWaalsContact O-N 3.15Å; H433-S436 PolarHBondContact O-OG 2.89Å; H433-I437 WeakPolarHBondContact O-CG1 3.14Å; H433-I437 PolarHBondContact O-N 3.46Å
434	Y	92.4	Very high	80.4	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-43.2	-179.6	-72.1	-55.4	0	0	0	112.7	W318 L346 P347 L430 A431 S436 I437 I458 I460	W318-Y434 HydrophobicContact CH2-CD2 4.16Å; W318-Y434 HydrophobicContact CH2-CE2 4.48Å; L346-Y434 HydrophobicContact CB-CE1 3.98Å; L346-Y434 HydrophobicContact CB-CE2 4.1Å; L346-Y434 HydrophobicContact CD1-CD2 3.88Å; L346-Y434 HydrophobicContact CD1-CE2 3.57Å; L346-Y434 HydrophobicContact CD2-CD1 4.31Å; L346-Y434 HydrophobicContact CD2-CD2 4.37Å; L346-Y434 HydrophobicContact CD2-CE1 4.49Å; L346-Y434 HydrophobicContact CD2-CG 4.26Å; L346-Y434 HydrophobicContact CG-CE2 4.28Å; P347-Y434 HydrophobicContact CG-CE1 4.06Å; P347-Y434 VanDerWaalsContact O-CE1 3.23Å; P347-Y434 WeakPolarHBondContact O-CE1 3.42Å; P347-Y434 PolarHBondContact O-OH 3.48Å; L430-Y434 HydrophobicContact CD1-CD2 4.11Å; L430-Y434 HydrophobicContact CD1-CE2 3.41Å; L430-Y434 VanDerWaalsContact CD1-CE2 3.41Å; L430-Y434 HydrophobicContact CD2-CE2 4.04Å; L430-Y434 HydrophobicContact CG-CD2 3.98Å; L430-Y434 HydrophobicContact CG-CE2 3.47Å; L430-Y434 VanDerWaalsContact CG-CE2 3.47Å; L430-Y434 WeakPolarHBondContact O-CD2 3.14Å; L430-Y434 PolarHBondContact O-N 3.4Å; L430-Y434 VanDerWaalsContact O-N 3.12Å; A431-Y434 PolarHBondContact O-N 3Å; Y434-S436 VanDerWaalsContact C-N 3.26Å; Y434-S436 PolarHBondContact O-N 2.88Å; Y434-I437 HydrophobicContact CD1-CD1 4.24Å; Y434-I437 WeakPolarHBondContact O-CB 3.25Å; Y434-I437 PolarHBondContact O-N 3.24Å; Y434-I458 HydrophobicContact CD1-CD1 4.39Å; Y434-I458 HydrophobicContact CG-CG2 4.44Å; Y434-I460 HydrophobicContact CD2-CD1 4.34Å; Y434-I460 HydrophobicContact CD2-CG1 4.47Å; Y434-I460 HydrophobicContact CG-CD1 4.48Å
435	E	90.5	Very high	77.9	Confident	46 Å²	46	60 Å²	60	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-27.2	177.2	-68	-180	162.1	0	0	112.3	A431 H433 T438 I439 I460 R461	A431-E435 WeakPolarHBondContact O-CG 3.36Å; A431-E435 PolarHBondContact O-N 3.33Å; A431-E435 VanDerWaalsContact O-N 3.08Å; H433-E435 PolarHBondContact O-N 2.95Å; E435-T438 WeakPolarHBondContact O-CB 3.43Å; E435-I439 WeakPolarHBondContact O-CG1 3.47Å; E435-I439 PolarHBondContact O-N 3.15Å; E435-I460 HydrophobicContact CG-CB 4.22Å; E435-I460 HydrophobicContact CG-CG1 4.21Å; E435-I460 PolarHBondContact OE1-N 2.63Å; E435-R461 VanDerWaalsContact OE1-CB 3.26Å; E435-R461 WeakPolarHBondContact OE1-CB 3.39Å; E435-R461 WeakPolarHBondContact OE1-CG 3.3Å; E435-R461 PolarHBondContact OE1-N 3.34Å; E435-R461 IonicContact OE2-CZ 3.38Å; E435-R461 IonicContact OE2-NH1 3.65Å; E435-R461 PolarHBondContact OE2-NH1 3.11Å
436	S	85.7	Confident	75.4	Confident	41 Å²	41	66 Å²	66	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-71.6	-29	175.1	79.9	0	0	0	0	113.9	D432 H433 Y434 I439 R440	D432-S436 VanDerWaalsContact O-CB 3.25Å; D432-S436 WeakPolarHBondContact O-CB 3.3Å; D432-S436 PolarHBondContact O-N 2.97Å; D432-S436 PolarHBondContact O-OG 2.92Å; H433-S436 WeakPolarHBondContact O-CB 3.47Å; H433-S436 PolarHBondContact O-N 2.63Å; H433-S436 VanDerWaalsContact O-N 3.15Å; H433-S436 PolarHBondContact O-OG 2.89Å; Y434-S436 VanDerWaalsContact C-N 3.26Å; Y434-S436 PolarHBondContact O-N 2.88Å; S436-I439 PolarHBondContact O-N 3.39Å; S436-R440 PolarHBondContact O-N 3.43Å
437	I	82.1	Confident	73.2	Confident	49 Å²	49	72.6 Å²	72.6	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-46.4	176.6	-65.6	169	0	0	0	109.3	H433 Y434 I439 R440 Q441	H433-I437 WeakPolarHBondContact O-CG1 3.14Å; H433-I437 PolarHBondContact O-N 3.46Å; Y434-I437 HydrophobicContact CD1-CD1 4.24Å; Y434-I437 WeakPolarHBondContact O-CB 3.25Å; Y434-I437 PolarHBondContact O-N 3.24Å; I437-I439 VanDerWaalsContact C-N 3.34Å; I437-I439 PolarHBondContact O-N 2.95Å; I437-R440 PolarHBondContact O-N 3.37Å; I437-Q441 WeakPolarHBondContact O-CG 3.43Å; I437-Q441 PolarHBondContact O-N 2.91Å; I437-Q441 VanDerWaalsContact O-N 3.15Å
438	T	67.1	Low	70.3	Confident	9 Å²	9	78.3 Å²	78.3	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-54.4	-46.6	174.3	-62.7	0	0	0	0	112.4	E435 R440 Q441 K442 D457 I458	E435-T438 WeakPolarHBondContact O-CB 3.43Å; T438-R440 PolarHBondContact O-N 3.38Å; T438-Q441 PolarHBondContact O-N 3.42Å; T438-K442 PolarHBondContact O-N 2.82Å; T438-K442 VanDerWaalsContact O-N 3.09Å; T438-D457 HydrophobicContact CG2-CB 4.46Å; T438-D457 WeakPolarHBondContact CG2-OD1 3.46Å; T438-I458 PolarHBondContact OG1-N 3.44Å; T438-I458 PolarHBondContact OG1-O 3.39Å
439	I	59	Low	67.5	Low	112 Å²	112	82.6 Å²	82.6	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-65.2	-40.8	-178	-65.4	167.3	0	0	0	111.2	E435 S436 I437 Q441 K442 R443	E435-I439 WeakPolarHBondContact O-CG1 3.47Å; E435-I439 PolarHBondContact O-N 3.15Å; S436-I439 PolarHBondContact O-N 3.39Å; I437-I439 VanDerWaalsContact C-N 3.34Å; I437-I439 PolarHBondContact O-N 2.95Å; I439-Q441 VanDerWaalsContact C-N 3.34Å; I439-Q441 PolarHBondContact O-N 3.36Å; I439-K442 PolarHBondContact O-N 2.92Å; I439-R443 PolarHBondContact O-N 2.97Å; I439-R443 VanDerWaalsContact O-N 3.11Å
440	R	56.4	Low	64.4	Low	192 Å²	192	85.8 Å²	85.8	73%	0.725	42%	0.419	S	S	*	.	H	α-helix	trans	-62.4	-41	177.1	-77.8	-177.8	173.1	166.6	-2.5	111.8	S436 I437 T438 R443 T444	S436-R440 PolarHBondContact O-N 3.43Å; I437-R440 PolarHBondContact O-N 3.37Å; T438-R440 PolarHBondContact O-N 3.38Å; R440-R443 PolarHBondContact O-N 2.89Å; R440-T444 PolarHBondContact O-N 3.45Å; R440-T444 VanDerWaalsContact O-N 3.08Å; R440-T444 PolarHBondContact O-OG1 2.86Å; R440-T444 VanDerWaalsContact O-OG1 3.06Å
441	Q	51.4	Low	61.4	Low	65 Å²	65	92.9 Å²	92.9	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-41.2	177.2	-69.5	176.5	-5	0	0	112.2	I437 T438 I439 R443 T444 R445	I437-Q441 WeakPolarHBondContact O-CG 3.43Å; I437-Q441 PolarHBondContact O-N 2.91Å; I437-Q441 VanDerWaalsContact O-N 3.15Å; T438-Q441 PolarHBondContact O-N 3.42Å; I439-Q441 VanDerWaalsContact C-N 3.34Å; I439-Q441 PolarHBondContact O-N 3.36Å; Q441-R443 VanDerWaalsContact C-N 3.31Å; Q441-R443 PolarHBondContact O-N 2.93Å; Q441-T444 PolarHBondContact O-N 3.32Å; Q441-R445 PolarHBondContact O-N 3.08Å
442	K	53	Low	58.5	Low	109 Å²	109	102.2 Å²	102.2	47%	0.474	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-39.2	173.5	-75.6	178	179.5	163.8	0	112.5	T438 I439 R445 E446 D457	T438-K442 PolarHBondContact O-N 2.82Å; T438-K442 VanDerWaalsContact O-N 3.09Å; I439-K442 PolarHBondContact O-N 2.92Å; K442-R445 WeakPolarHBondContact O-CB 3.33Å; K442-R445 PolarHBondContact O-N 2.81Å; K442-E446 PolarHBondContact O-N 2.98Å; K442-D457 VanDerWaalsContact CE-OD2 3.26Å; K442-D457 WeakPolarHBondContact CE-OD2 3.36Å; K442-D457 IonicContact NZ-OD1 3.31Å; K442-D457 IonicContact NZ-OD2 3.55Å; K442-D457 PolarHBondContact NZ-OD2 3.2Å
443	R	47.3	Very low	55.8	Low	190 Å²	190	103.2 Å²	103.2	72%	0.717	51%	0.51	S	S	*	.	H	α-helix	trans	-70	-33.2	178.5	-141.4	175.5	-171.9	179.1	1.3	112.9	I439 R440 Q441	I439-R443 PolarHBondContact O-N 2.97Å; I439-R443 VanDerWaalsContact O-N 3.11Å; R440-R443 PolarHBondContact O-N 2.89Å; Q441-R443 VanDerWaalsContact C-N 3.31Å; Q441-R443 PolarHBondContact O-N 2.93Å
444	T	48.3	Very low	53.3	Low	85 Å²	85	107.2 Å²	107.2	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-72.8	-33.3	173.9	-49.5	0	0	0	0	111.8	R440 Q441 E446 I447 L448	R440-T444 PolarHBondContact O-N 3.45Å; R440-T444 VanDerWaalsContact O-N 3.08Å; R440-T444 PolarHBondContact O-OG1 2.86Å; R440-T444 VanDerWaalsContact O-OG1 3.06Å; Q441-T444 PolarHBondContact O-N 3.32Å; T444-E446 VanDerWaalsContact C-N 3.31Å; T444-E446 PolarHBondContact O-N 3.24Å; T444-I447 CarbonylContact O-C 3.25Å; T444-I447 WeakPolarHBondContact O-CA 3.5Å; T444-I447 PolarHBondContact O-N 3.44Å; T444-L448 PolarHBondContact O-N 3.04Å
445	R	45.5	Very low	51.3	Low	139 Å²	139	111.6 Å²	111.6	53%	0.525	57%	0.567	S	S	.	*	H	α-helix	trans	-61.4	-32.1	173.5	-85.1	-174.5	179.5	179.9	-0.2	114.2	Q441 K442 I447 E455	Q441-R445 PolarHBondContact O-N 3.08Å; K442-R445 WeakPolarHBondContact O-CB 3.33Å; K442-R445 PolarHBondContact O-N 2.81Å; R445-I447 PolarHBondContact O-N 3.06Å; R445-E455 IonicContact CZ-OE2 3.88Å; R445-E455 VanDerWaalsContact CZ-OE2 3.26Å; R445-E455 IonicContact NE-OE2 3.58Å; R445-E455 PolarHBondContact NE-OE2 3.42Å; R445-E455 IonicContact NH2-OE2 3.24Å; R445-E455 PolarHBondContact NH2-OE2 2.93Å
446	E	44	Very low	49.7	Very low	172 Å²	172	116.8 Å²	116.8	80%	0.804	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.8	172.6	-71.4	-176.2	166.2	0	0	112.4	K442 T444	K442-E446 PolarHBondContact O-N 2.98Å; T444-E446 VanDerWaalsContact C-N 3.31Å; T444-E446 PolarHBondContact O-N 3.24Å
447	I	48.9	Very low	49.2	Very low	139 Å²	139	119.1 Å²	119.1	71%	0.713	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-30.8	-177.2	-58.1	177.9	0	0	0	112.3	T444 R445	T444-I447 CarbonylContact O-C 3.25Å; T444-I447 WeakPolarHBondContact O-CA 3.5Å; T444-I447 PolarHBondContact O-N 3.44Å; R445-I447 PolarHBondContact O-N 3.06Å
448	L	36	Very low	49.3	Very low	121 Å²	121	118 Å²	118	63%	0.634	59%	0.588	S	S	*	*			trans	-125	99.3	178.8	-105	89.8	0	0	0	112.2	T444 C450	T444-L448 PolarHBondContact O-N 3.04Å; L448-C450 PolarHBondContact O-N 3.02Å
449	V	37.3	Very low	50.4	Low	134 Å²	134	121.6 Å²	121.6	81%	0.812	60%	0.604	S	S	*	*			trans	-84.1	97.7	156.4	176.2	0	0	0	0	106.7
450	C	30.7	Very low	52.1	Low	99 Å²	99	116.4 Å²	116.4	67%	0.669	58%	0.578	S	S	*	*			trans	162.5	139.6	150.3	-90.6	0	0	0	0	112.6	L448	L448-C450 PolarHBondContact O-N 3.02Å
451	L	32.2	Very low	53.9	Low	149 Å²	149	108.3 Å²	108.3	78%	0.78	55%	0.547	S	S	*	.			trans	89.5	100.4	157.2	-62.2	145.4	0	0	0	119.5
452	F	33.7	Very low	55.9	Low	195 Å²	195	109.9 Å²	109.9	86%	0.855	55%	0.551	S	S	*	*			trans	39.3	85.4	137.4	-61.1	-84.1	0	0	0	119.6
453	S	37.9	Very low	57.7	Low	102 Å²	102	110.7 Å²	110.7	71%	0.713	56%	0.56	S	S	*	*				-163.1	141.1	129.8	-78.2	0	0	0	0	107.5	E455	S453-E455 VanDerWaalsContact C-N 3.25Å; S453-E455 PolarHBondContact O-N 2.98Å
454	A	40.8	Very low	59.8	Low	103 Å²	103	103.4 Å²	103.4	85%	0.851	54%	0.538	S	S	*	.			trans	-67.2	85.3	176.1	0	0	0	0	0	109.4	R456	A454-R456 PolarHBondContact O-N 3.48Å
455	E	49.4	Very low	62	Low	93 Å²	93	100.1 Å²	100.1	44%	0.435	52%	0.517	S	S	.	.			trans	-67.3	119.7	-179.1	-66.3	170.9	148.9	0	0	109.9	R445 S453 D457	R445-E455 IonicContact CZ-OE2 3.88Å; R445-E455 VanDerWaalsContact CZ-OE2 3.26Å; R445-E455 IonicContact NE-OE2 3.58Å; R445-E455 PolarHBondContact NE-OE2 3.42Å; R445-E455 IonicContact NH2-OE2 3.24Å; R445-E455 PolarHBondContact NH2-OE2 2.93Å; S453-E455 VanDerWaalsContact C-N 3.25Å; S453-E455 PolarHBondContact O-N 2.98Å; E455-D457 PolarHBondContact O-N 3.27Å
456	R	57.5	Low	64.4	Low	155 Å²	155	95.3 Å²	95.3	59%	0.585	50%	0.5	S	S	*	.			trans	-78.4	115.6	-175.9	-61.5	-175.5	-175.9	178.5	-1.4	110.3	A454 I458	A454-R456 PolarHBondContact O-N 3.48Å; R456-I458 HydrophobicContact CB-CG1 4.49Å; R456-I458 PolarHBondContact O-N 3.29Å
457	D	74	Confident	67	Low	90 Å²	90	87.5 Å²	87.5	48%	0.481	46%	0.463	S	S	.	.			trans	-71.7	93.9	167.4	-166.5	-24.8	0	0	0	107.5	T438 K442 E455 Q459	T438-D457 HydrophobicContact CG2-CB 4.46Å; T438-D457 WeakPolarHBondContact CG2-OD1 3.46Å; K442-D457 VanDerWaalsContact CE-OD2 3.26Å; K442-D457 WeakPolarHBondContact CE-OD2 3.36Å; K442-D457 IonicContact NZ-OD1 3.31Å; K442-D457 IonicContact NZ-OD2 3.55Å; K442-D457 PolarHBondContact NZ-OD2 3.2Å; E455-D457 PolarHBondContact O-N 3.27Å; D457-Q459 PolarHBondContact O-N 3.4Å
458	I	85.3	Confident	69.4	Low	25 Å²	25	80.9 Å²	80.9	13%	0.128	43%	0.429	C	S	.	.			trans	-75.5	110.4	179.9	-57.1	176	0	0	0	107.7	L346 P347 Y434 T438 R456 I460	L346-I458 HydrophobicContact CD2-CG2 3.51Å; P347-I458 HydrophobicContact CG-CD1 4.15Å; Y434-I458 HydrophobicContact CD1-CD1 4.39Å; Y434-I458 HydrophobicContact CG-CG2 4.44Å; T438-I458 PolarHBondContact OG1-N 3.44Å; T438-I458 PolarHBondContact OG1-O 3.39Å; R456-I458 HydrophobicContact CB-CG1 4.49Å; R456-I458 PolarHBondContact O-N 3.29Å; I458-I460 HydrophobicContact CG2-CD1 3.8Å; I458-I460 HydrophobicContact CG2-CG1 4.44Å
459	Q	89.8	Confident	72.4	Confident	84 Å²	84	75.1 Å²	75.1	39%	0.393	40%	0.399	S	S	.	.			trans	-108.2	126.7	172.9	-169.1	172.5	-4	0	0	109.6	Q341 D457 R461	Q341-Q459 VanDerWaalsContact CB-O 3.3Å; Q341-Q459 WeakPolarHBondContact CB-O 3.4Å; Q341-Q459 PolarHBondContact N-O 3.21Å; Q341-Q459 VanDerWaalsContact OE1-NE2 3.13Å; D457-Q459 PolarHBondContact O-N 3.4Å; Q459-R461 PolarHBondContact NE2-O 3.38Å; Q459-R461 VanDerWaalsContact NE2-O 3.08Å
460	I	94	Very high	75.3	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	36%	0.361	C	S	.	.			trans	-104.2	-52.5	176.4	-57.3	-48.3	0	0	0	109.9	F316 W318 L346 A431 Y434 E435 I458	F316-I460 HydrophobicContact CB-CG2 3.85Å; F316-I460 HydrophobicContact CD1-CG2 4.3Å; F316-I460 HydrophobicContact CD2-CG2 4.39Å; F316-I460 HydrophobicContact CG-CG2 3.94Å; W318-I460 HydrophobicContact CH2-CB 4.47Å; W318-I460 HydrophobicContact CH2-CD1 4.12Å; W318-I460 HydrophobicContact CH2-CG1 4.1Å; W318-I460 HydrophobicContact CH2-CG2 3.54Å; W318-I460 HydrophobicContact CZ2-CB 4.36Å; W318-I460 HydrophobicContact CZ2-CD1 3.79Å; W318-I460 HydrophobicContact CZ2-CG1 4.14Å; W318-I460 HydrophobicContact CZ2-CG2 3.37Å; W318-I460 HydrophobicContact CZ3-CG2 4.28Å; L346-I460 HydrophobicContact CD1-CD1 4.06Å; L346-I460 HydrophobicContact CD2-CD1 3.83Å; A431-I460 HydrophobicContact CB-CB 4.35Å; A431-I460 HydrophobicContact CB-CG2 3.78Å; Y434-I460 HydrophobicContact CD2-CD1 4.34Å; Y434-I460 HydrophobicContact CD2-CG1 4.47Å; Y434-I460 HydrophobicContact CG-CD1 4.48Å; E435-I460 HydrophobicContact CG-CB 4.22Å; E435-I460 HydrophobicContact CG-CG1 4.21Å; E435-I460 PolarHBondContact OE1-N 2.63Å; I458-I460 HydrophobicContact CG2-CD1 3.8Å; I458-I460 HydrophobicContact CG2-CG1 4.44Å
461	R	94.7	Very high	78.5	Confident	23 Å²	23	65.2 Å²	65.2	9%	0.087	34%	0.336	C	S	.	.	S	Bend	trans	-86	132.2	-175.7	-66.4	170.6	172.1	107.1	-4.1	111.4	D313 R315 F316 D432 E435 Q459	D313-R461 IonicContact OD2-CZ 3.42Å; D313-R461 IonicContact OD2-NE 3.67Å; D313-R461 PolarHBondContact OD2-NE 3.36Å; D313-R461 IonicContact OD2-NH2 2.66Å; R315-R461 HydrophobicContact CB-CB 3.87Å; R315-R461 HydrophobicContact CB-CG 4.1Å; F316-R461 HydrophobicContact CD1-CG 3.79Å; F316-R461 HydrophobicContact CE1-CG 4.26Å; D432-R461 IonicContact OD1-CZ 3.41Å; D432-R461 IonicContact OD1-NH1 2.91Å; D432-R461 PolarHBondContact OD1-NH1 2.78Å; D432-R461 IonicContact OD1-NH2 3.1Å; D432-R461 PolarHBondContact OD1-NH2 2.86Å; E435-R461 VanDerWaalsContact OE1-CB 3.26Å; E435-R461 WeakPolarHBondContact OE1-CB 3.39Å; E435-R461 WeakPolarHBondContact OE1-CG 3.3Å; E435-R461 PolarHBondContact OE1-N 3.34Å; E435-R461 IonicContact OE2-CZ 3.38Å; E435-R461 IonicContact OE2-NH1 3.65Å; E435-R461 PolarHBondContact OE2-NH1 3.11Å; Q459-R461 PolarHBondContact NE2-O 3.38Å; Q459-R461 VanDerWaalsContact NE2-O 3.08Å
462	R	93.4	Very high	81.6	Confident	98 Å²	98	62.2 Å²	62.2	37%	0.37	32%	0.321	S	S	.	.			trans	-58.2	138.7	161.9	-65.9	179	-69.4	141.7	-0.7	110	R314 R315 S464 E466	R314-R462 PolarHBondContact O-NH2 3.44Å; R315-R462 HydrophobicContact CB-CB 4.43Å; R315-R462 WeakPolarHBondContact CD-O 3.42Å; R315-R462 WeakPolarHBondContact O-CB 3.44Å; R315-R462 VanDerWaalsContact O-CG 3.25Å; R315-R462 WeakPolarHBondContact O-CG 3.4Å; R315-R462 PolarHBondContact O-N 2.97Å; R315-R462 PolarHBondContact O-NE 2.67Å; R462-S464 PolarHBondContact O-N 3.39Å; R462-E466 IonicContact CZ-OE1 2.72Å; R462-E466 IonicContact CZ-OE2 2.75Å; R462-E466 IonicContact NH1-OE1 2.67Å; R462-E466 PolarHBondContact NH1-OE1 2.98Å; R462-E466 VanDerWaalsContact NH1-OE1 3.1Å; R462-E466 IonicContact NH1-OE2 3.58Å; R462-E466 PolarHBondContact NH1-OE2 3.17Å; R462-E466 IonicContact NH2-OE1 3.12Å; R462-E466 IonicContact NH2-OE2 2.69Å; R462-E466 PolarHBondContact NH2-OE2 2.96Å
463	D	90.2	Very high	84.6	Confident	126 Å²	126	53.3 Å²	53.3	67%	0.674	28%	0.282	S	S	*	.	S	Bend	trans	-82.5	69	173.3	-168.2	26.4	0	0	0	110.4	K581	D463-K581 IonicContact OD1-NZ 3.26Å; D463-K581 PolarHBondContact OD1-NZ 2.85Å; D463-K581 IonicContact OD2-NZ 3.05Å
464	S	92.1	Very high	87.5	Confident	36 Å²	36	50 Å²	50	25%	0.252	26%	0.258	S	S	.	.	S	Bend	trans	-139.5	162.7	178.8	56.2	0	0	0	0	111.1	R315 R462 E466 N519	R315-S464 WeakPolarHBondContact CD-O 3.43Å; R462-S464 PolarHBondContact O-N 3.39Å; S464-E466 WeakPolarHBondContact CB-OE1 3.3Å; S464-E466 PolarHBondContact OG-OE1 3.35Å; S464-N519 PolarHBondContact O-ND2 3.27Å; S464-N519 PolarHBondContact O-OD1 2.97Å
465	F	95.2	Very high	90.2	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.075	22%	0.219	C	C	.	.			trans	-98.5	111.4	167.7	-77.2	-103.7	0	0	0	108.8	W283 H288 P291 F467 L578 L579	W283-F465 HydrophobicContact CH2-CB 4.06Å; W283-F465 AromaticContact CH2-CD1 3.77Å; W283-F465 HydrophobicContact CH2-CD1 3.77Å; W283-F465 AromaticContact CH2-CD2 3.86Å; W283-F465 HydrophobicContact CH2-CD2 3.86Å; W283-F465 HydrophobicContact CH2-CE1 4.08Å; W283-F465 HydrophobicContact CH2-CE2 4.21Å; W283-F465 AromaticContact CH2-CG 3.64Å; W283-F465 HydrophobicContact CH2-CG 3.64Å; W283-F465 HydrophobicContact CH2-CZ 4.32Å; W283-F465 AromaticContact CZ2-CD2 3.94Å; W283-F465 HydrophobicContact CZ2-CD2 3.94Å; W283-F465 HydrophobicContact CZ2-CE2 4.18Å; W283-F465 HydrophobicContact CZ2-CG 4.19Å; H288-F465 HydrophobicContact CB-CD2 4.36Å; H288-F465 HydrophobicContact CB-CE2 3.82Å; H288-F465 AromaticContact CD2-CE2 3.64Å; H288-F465 AromaticContact CD2-CZ 3.78Å; H288-F465 AromaticContact CG-CE2 3.54Å; P291-F465 HydrophobicContact CB-CB 4.29Å; F465-F467 HydrophobicContact CB-CD2 4.02Å; F465-F467 HydrophobicContact CB-CE2 3.73Å; F465-F467 HydrophobicContact CD1-CE2 4.05Å; F465-F467 HydrophobicContact CD1-CZ 4.5Å; F465-F467 HydrophobicContact CG-CE2 4.29Å; F465-L578 HydrophobicContact CD1-CD2 3.93Å; F465-L578 HydrophobicContact CD1-CG 4.32Å; F465-L578 HydrophobicContact CE1-CD2 3.77Å; F465-L578 HydrophobicContact CE1-CG 3.71Å; F465-L579 HydrophobicContact CE1-CD2 4.15Å; F465-L579 HydrophobicContact CZ-CD2 4.18Å
466	E	96.4	Very high	92.4	Very high	38 Å²	38	41.2 Å²	41.2	18%	0.178	20%	0.199	C	C	.	.			trans	-102.8	80.3	-176.9	-58.6	-73.6	136.8	0	0	109.7	R314 R315 R462 S464 N519	R314-E466 HydrophobicContact CB-CB 4.23Å; R314-E466 PolarHBondContact NH2-O 3.46Å; R315-E466 HydrophobicContact CG-CG 3.83Å; R462-E466 IonicContact CZ-OE1 2.72Å; R462-E466 IonicContact CZ-OE2 2.75Å; R462-E466 IonicContact NH1-OE1 2.67Å; R462-E466 PolarHBondContact NH1-OE1 2.98Å; R462-E466 VanDerWaalsContact NH1-OE1 3.1Å; R462-E466 IonicContact NH1-OE2 3.58Å; R462-E466 PolarHBondContact NH1-OE2 3.17Å; R462-E466 IonicContact NH2-OE1 3.12Å; R462-E466 IonicContact NH2-OE2 2.69Å; R462-E466 PolarHBondContact NH2-OE2 2.96Å; S464-E466 WeakPolarHBondContact CB-OE1 3.3Å; S464-E466 PolarHBondContact OG-OE1 3.35Å; E466-N519 PolarHBondContact N-OD1 3.06Å
467	F	98.1	Very high	94.2	Very high	7 Å²	7	37 Å²	37	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138	177.6	-76	-98.8	0	0	0	112.5	I279 W283 P291 F295 R314 F465 L516 V517 A518 L523 Y575	I279-F467 HydrophobicContact CD1-CE1 4.08Å; I279-F467 HydrophobicContact CG2-CZ 4.32Å; W283-F467 HydrophobicContact CH2-CE2 4.01Å; W283-F467 HydrophobicContact CH2-CZ 4.45Å; W283-F467 AromaticContact CZ3-CE2 3.76Å; W283-F467 HydrophobicContact CZ3-CE2 3.76Å; W283-F467 AromaticContact CZ3-CZ 3.89Å; W283-F467 HydrophobicContact CZ3-CZ 3.89Å; P291-F467 HydrophobicContact CB-CD2 3.62Å; P291-F467 HydrophobicContact CB-CE2 3.99Å; P291-F467 HydrophobicContact CG-CD2 3.79Å; P291-F467 HydrophobicContact CG-CE2 3.77Å; F295-F467 HydrophobicContact CB-CB 4.21Å; F295-F467 HydrophobicContact CD1-CB 3.41Å; F295-F467 VanDerWaalsContact CD1-CB 3.41Å; F295-F467 HydrophobicContact CD1-CG 4.11Å; F295-F467 HydrophobicContact CD2-CB 3.69Å; F295-F467 HydrophobicContact CD2-CD1 4.14Å; F295-F467 HydrophobicContact CD2-CG 4.17Å; F295-F467 HydrophobicContact CE1-CB 3.56Å; F295-F467 HydrophobicContact CE1-CD1 4.33Å; F295-F467 AromaticContact CE1-CD2 3.96Å; F295-F467 HydrophobicContact CE1-CD2 3.96Å; F295-F467 AromaticContact CE1-CG 3.71Å; F295-F467 HydrophobicContact CE1-CG 3.71Å; F295-F467 HydrophobicContact CE2-CB 3.81Å; F295-F467 AromaticContact CE2-CD1 3.56Å; F295-F467 HydrophobicContact CE2-CD1 3.56Å; F295-F467 HydrophobicContact CE2-CE1 4.25Å; F295-F467 AromaticContact CE2-CG 3.77Å; F295-F467 HydrophobicContact CE2-CG 3.77Å; F295-F467 HydrophobicContact CG-CB 3.49Å; F295-F467 VanDerWaalsContact CG-CB 3.49Å; F295-F467 HydrophobicContact CG-CG 4.33Å; F295-F467 HydrophobicContact CZ-CB 3.75Å; F295-F467 AromaticContact CZ-CD1 3.67Å; F295-F467 HydrophobicContact CZ-CD1 3.67Å; F295-F467 AromaticContact CZ-CD2 3.94Å; F295-F467 HydrophobicContact CZ-CD2 3.94Å; F295-F467 HydrophobicContact CZ-CE1 4.2Å; F295-F467 HydrophobicContact CZ-CE2 4.43Å; F295-F467 AromaticContact CZ-CG 3.52Å; F295-F467 HydrophobicContact CZ-CG 3.52Å; R314-F467 PolarHBondContact NH2-O 3.15Å; F465-F467 HydrophobicContact CB-CD2 4.02Å; F465-F467 HydrophobicContact CB-CE2 3.73Å; F465-F467 HydrophobicContact CD1-CE2 4.05Å; F465-F467 HydrophobicContact CD1-CZ 4.5Å; F465-F467 HydrophobicContact CG-CE2 4.29Å; F467-L516 HydrophobicContact CD1-CD1 3.99Å; F467-L516 HydrophobicContact CD1-CD2 4.13Å; F467-L516 HydrophobicContact CD1-CG 4.15Å; F467-L516 HydrophobicContact CE1-CD2 4.28Å; F467-V517 CarbonylContact C-O 3.6Å; F467-V517 WeakPolarHBondContact CA-O 3.31Å; F467-A518 HydrophobicContact CD1-CB 3.79Å; F467-A518 HydrophobicContact CD2-CB 4.33Å; F467-A518 HydrophobicContact CE1-CB 3.84Å; F467-A518 HydrophobicContact CE2-CB 4.37Å; F467-A518 HydrophobicContact CG-CB 4.05Å; F467-A518 HydrophobicContact CZ-CB 4.13Å; F467-L523 HydrophobicContact CD1-CD1 4.25Å; F467-L523 HydrophobicContact CE1-CD1 3.51Å; F467-L523 HydrophobicContact CZ-CD1 4.22Å; F467-Y575 HydrophobicContact CZ-CE2 4.24Å
468	L	98.5	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	132.1	-177.3	-176.6	60.5	0	0	0	110.4	Q296 M298 P312 I470 V517	Q296-L468 HydrophobicContact CB-CD1 4.07Å; Q296-L468 CarbonylContact O-C 3.57Å; Q296-L468 WeakPolarHBondContact O-CA 3.39Å; Q296-L468 WeakPolarHBondContact O-CD1 3.47Å; M298-L468 HydrophobicContact CB-CD1 3.77Å; M298-L468 HydrophobicContact CB-CD2 4.16Å; M298-L468 HydrophobicContact CB-CG 4.28Å; M298-L468 HydrophobicContact CE-CD2 4.48Å; M298-L468 HydrophobicContact SD-CD2 4.15Å; P312-L468 HydrophobicContact CG-CD2 3.69Å; L468-I470 HydrophobicContact CD2-CD1 3.4Å; L468-I470 HydrophobicContact CG-CD1 3.78Å; L468-V517 PolarHBondContact N-O 2.76Å; L468-V517 PolarHBondContact O-N 2.86Å
469	W	98.7	Very high	95.2	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.6	162.5	-70.8	111.8	0	0	0	109.9	M272 V275 E276 F295 Q296 T297 M298 V471 Y514 D515 L516 F568	M272-W469 HydrophobicContact CB-CD2 4.49Å; M272-W469 HydrophobicContact CB-CZ2 3.93Å; M272-W469 HydrophobicContact CE-CB 4.37Å; M272-W469 HydrophobicContact CE-CD2 4.26Å; M272-W469 HydrophobicContact CE-CE3 4.23Å; M272-W469 HydrophobicContact CE-CG 4.33Å; M272-W469 HydrophobicContact CG-CD2 3.74Å; M272-W469 HydrophobicContact CG-CE3 4.07Å; M272-W469 HydrophobicContact CG-CG 4.23Å; M272-W469 HydrophobicContact CG-CH2 4.12Å; M272-W469 HydrophobicContact CG-CZ2 3.81Å; M272-W469 HydrophobicContact CG-CZ3 4.23Å; M272-W469 HydrophobicContact SD-CD2 4.21Å; M272-W469 HydrophobicContact SD-CG 4.12Å; V275-W469 HydrophobicContact CB-CH2 4Å; V275-W469 HydrophobicContact CB-CZ2 3.94Å; V275-W469 HydrophobicContact CG1-CH2 3.81Å; V275-W469 HydrophobicContact CG1-CZ2 3.83Å; V275-W469 HydrophobicContact CG2-CH2 4.29Å; E276-W469 PolarHBondContact OE1-NE1 3.22Å; F295-W469 AromaticContact CD2-NE1 3.89Å; Q296-W469 PolarHBondContact O-N 3.48Å; T297-W469 CarbonylContact C-O 3.28Å; T297-W469 WeakPolarHBondContact CA-O 2.83Å; T297-W469 HydrophobicContact CG2-CB 3.88Å; T297-W469 HydrophobicContact CG2-CG 4.48Å; M298-W469 PolarHBondContact N-O 3.3Å; W469-V471 HydrophobicContact CB-CG1 4.45Å; W469-Y514 HydrophobicContact CE3-CD2 4.36Å; W469-Y514 AromaticContact CZ3-CD2 3.92Å; W469-Y514 HydrophobicContact CZ3-CD2 3.92Å; W469-D515 CarbonylContact C-O 3.55Å; W469-D515 WeakPolarHBondContact CA-O 3.02Å; W469-L516 HydrophobicContact CD2-CD1 3.89Å; W469-L516 HydrophobicContact CE3-CB 3.98Å; W469-L516 HydrophobicContact CE3-CD1 4.16Å; W469-L516 HydrophobicContact CG-CD1 4.44Å; W469-L516 HydrophobicContact CH2-CB 3.9Å; W469-L516 HydrophobicContact CH2-CD1 4.24Å; W469-L516 HydrophobicContact CH2-CD2 4.37Å; W469-L516 HydrophobicContact CH2-CG 4.4Å; W469-L516 HydrophobicContact CZ2-CB 4.47Å; W469-L516 HydrophobicContact CZ2-CD1 3.95Å; W469-L516 HydrophobicContact CZ2-CD2 4.44Å; W469-L516 HydrophobicContact CZ3-CB 3.63Å; W469-L516 HydrophobicContact CZ3-CD1 4.34Å; W469-L516 HydrophobicContact CZ3-CG 4.48Å; W469-F568 HydrophobicContact CH2-CD2 4.18Å; W469-F568 AromaticContact CH2-CE2 3.78Å; W469-F568 HydrophobicContact CH2-CE2 3.78Å; W469-F568 HydrophobicContact CH2-CZ 4.05Å; W469-F568 HydrophobicContact CZ3-CD2 4.09Å; W469-F568 AromaticContact CZ3-CE2 3.55Å; W469-F568 HydrophobicContact CZ3-CE2 3.55Å; W469-F568 HydrophobicContact CZ3-CZ 4.13Å
470	I	98.6	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.4	164.9	-51.2	-63	0	0	0	108	M298 A303 D310 L468 F473 Y514 D515 V517	M298-I470 HydrophobicContact CB-CD1 4.16Å; M298-I470 VanDerWaalsContact O-CA 3.27Å; M298-I470 WeakPolarHBondContact O-CA 3.4Å; A303-I470 HydrophobicContact CB-CD1 3.82Å; D310-I470 VanDerWaalsContact O-CG1 3.25Å; D310-I470 WeakPolarHBondContact O-CG1 3.15Å; L468-I470 HydrophobicContact CD2-CD1 3.4Å; L468-I470 HydrophobicContact CG-CD1 3.78Å; I470-F473 HydrophobicContact CB-CE2 3.77Å; I470-F473 HydrophobicContact CB-CZ 3.79Å; I470-F473 HydrophobicContact CG2-CD2 4.33Å; I470-F473 HydrophobicContact CG2-CE1 4.23Å; I470-F473 HydrophobicContact CG2-CE2 3.45Å; I470-F473 VanDerWaalsContact CG2-CE2 3.45Å; I470-F473 HydrophobicContact CG2-CZ 3.38Å; I470-F473 WeakPolarHBondContact O-CE2 3.48Å; I470-Y514 CarbonylContact O-C 3.59Å; I470-Y514 WeakPolarHBondContact O-CA 3.43Å; I470-D515 PolarHBondContact N-O 3.34Å; I470-D515 PolarHBondContact O-N 3.43Å; I470-V517 HydrophobicContact CG1-CG2 3.9Å
471	V	98.3	Very high	94.5	Very high	24 Å²	24	53 Å²	53	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	178	-176.2	-58.9	0	0	0	0	110.6	M272 M298 P299 Y300 W469 F473	M272-V471 HydrophobicContact CE-CG1 3.52Å; M298-V471 PolarHBondContact O-N 2.82Å; P299-V471 CarbonylContact C-O 3.58Å; P299-V471 WeakPolarHBondContact CA-O 3.38Å; Y300-V471 PolarHBondContact N-O 3Å; W469-V471 HydrophobicContact CB-CG1 4.45Å; V471-F473 VanDerWaalsContact C-N 3.32Å; V471-F473 PolarHBondContact O-N 2.71Å
472	D	96.6	Very high	94.2	Very high	86 Å²	86	53.7 Å²	53.7	46%	0.46	27%	0.265	S	S	.	.			trans	57.8	39.7	174.2	-55.8	-29.6	0	0	0	114.3	P299 T510	P299-D472 HydrophobicContact CB-CB 4.36Å; D472-T510 HydrophobicContact CB-CG2 4.09Å
473	F	97.8	Very high	94.1	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	28%	0.277	C	S	.	.			trans	-65	148.5	173.8	-73.9	-99.9	0	0	0	111.3	Y300 D310 I470 V471 L475 T510 G511 H513 D515	Y300-F473 AromaticContact CD2-CD1 3.32Å; Y300-F473 HydrophobicContact CD2-CD1 3.32Å; Y300-F473 AromaticContact CD2-CE1 3.27Å; Y300-F473 HydrophobicContact CD2-CE1 3.27Å; Y300-F473 HydrophobicContact CD2-CG 4.2Å; Y300-F473 HydrophobicContact CD2-CZ 4.12Å; Y300-F473 AromaticContact CE2-CD1 3.89Å; Y300-F473 HydrophobicContact CE2-CD1 3.89Å; Y300-F473 AromaticContact CE2-CE1 3.84Å; Y300-F473 HydrophobicContact CE2-CE1 3.84Å; Y300-F473 AromaticContact CG-CD1 3.8Å; Y300-F473 HydrophobicContact CG-CD1 3.8Å; Y300-F473 HydrophobicContact CG-CE1 4.13Å; Y300-F473 HydrophobicContact CG-CG 4.29Å; D310-F473 HydrophobicContact CB-CE1 4.38Å; I470-F473 HydrophobicContact CB-CE2 3.77Å; I470-F473 HydrophobicContact CB-CZ 3.79Å; I470-F473 HydrophobicContact CG2-CD2 4.33Å; I470-F473 HydrophobicContact CG2-CE1 4.23Å; I470-F473 HydrophobicContact CG2-CE2 3.45Å; I470-F473 VanDerWaalsContact CG2-CE2 3.45Å; I470-F473 HydrophobicContact CG2-CZ 3.38Å; I470-F473 WeakPolarHBondContact O-CE2 3.48Å; V471-F473 VanDerWaalsContact C-N 3.32Å; V471-F473 PolarHBondContact O-N 2.71Å; F473-L475 PolarHBondContact O-N 3.11Å; F473-T510 WeakPolarHBondContact O-CG2 3.23Å; F473-G511 PolarHBondContact O-N 3.08Å; F473-H513 HydrophobicContact CB-CB 4.39Å; F473-H513 VanDerWaalsContact CB-ND1 3.3Å; F473-H513 WeakPolarHBondContact CB-ND1 3.37Å; F473-H513 AromaticContact CD1-CE1 3.47Å; F473-H513 VanDerWaalsContact CD1-CE1 3.47Å; F473-H513 WeakPolarHBondContact CD1-CE1 2.99Å; F473-H513 AromaticContact CD1-ND1 3.59Å; F473-H513 HydrophobicContact CD2-CB 4.48Å; F473-H513 AromaticContact CD2-CE1 3.44Å; F473-H513 VanDerWaalsContact CD2-CE1 3.44Å; F473-H513 WeakPolarHBondContact CD2-CE1 3.42Å; F473-H513 AromaticContact CD2-CG 3.83Å; F473-H513 AromaticContact CD2-ND1 3.27Å; F473-H513 VanDerWaalsContact CD2-ND1 3.27Å; F473-H513 WeakPolarHBondContact CD2-ND1 2.99Å; F473-H513 AromaticContact CE1-CE1 3.55Å; F473-H513 AromaticContact CE2-CE1 3.51Å; F473-H513 AromaticContact CE2-ND1 3.84Å; F473-H513 AromaticContact CE2-NE2 3.9Å; F473-H513 AromaticContact CG-CE1 3.4Å; F473-H513 VanDerWaalsContact CG-CE1 3.4Å; F473-H513 WeakPolarHBondContact CG-CE1 3.42Å; F473-H513 AromaticContact CG-ND1 3.1Å; F473-H513 WeakPolarHBondContact CG-ND1 3.18Å; F473-H513 AromaticContact CZ-CE1 3.57Å; F473-D515 HydrophobicContact CE2-CB 4.32Å; F473-D515 HydrophobicContact CZ-CB 4.11Å; F473-D515 WeakPolarHBondContact CZ-OD2 3.37Å
474	P	97.3	Very high	94.3	Very high	32 Å²	32	52.4 Å²	52.4	21%	0.208	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-57.5	141.3	163.8	27.6	-34.2	0	0	0	109.4	Y300 F476 L477 A487	Y300-P474 HydrophobicContact CE1-CG 4.36Å; P474-F476 VanDerWaalsContact C-N 3.34Å; P474-L477 HydrophobicContact CB-CD2 4.4Å; P474-L477 HydrophobicContact CG-CD2 3.73Å; P474-A487 WeakPolarHBondContact O-CB 3.45Å
475	L	97.5	Very high	94.4	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-72.8	-33.8	178.3	-176	58.5	0	0	0	111.5	F473 A487 T492 P494 V509	F473-L475 PolarHBondContact O-N 3.11Å; L475-A487 PolarHBondContact O-N 2.81Å; L475-T492 HydrophobicContact CD1-CG2 3.66Å; L475-P494 HydrophobicContact CD2-CB 4.04Å; L475-V509 HydrophobicContact CB-CB 4.12Å; L475-V509 HydrophobicContact CB-CG1 3.88Å; L475-V509 WeakPolarHBondContact CB-O 3.45Å; L475-V509 HydrophobicContact CD2-CB 4.31Å; L475-V509 HydrophobicContact CD2-CG1 3.54Å; L475-V509 HydrophobicContact CG-CG1 4.37Å; L475-V509 PolarHBondContact N-O 3.46Å
476	F	97	Very high	94.3	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.8	-178.9	-53.4	-75.5	0	0	0	111.3	P474 L484 E485 L502 P506 I507 I539 V543 L544	P474-F476 VanDerWaalsContact C-N 3.34Å; F476-L484 HydrophobicContact CB-CB 4.47Å; F476-L484 HydrophobicContact CB-CD2 4.3Å; F476-E485 CarbonylContact C-O 3.59Å; F476-E485 WeakPolarHBondContact CA-O 3.44Å; F476-L502 HydrophobicContact CE2-CD1 3.77Å; F476-L502 HydrophobicContact CZ-CD1 4.01Å; F476-P506 HydrophobicContact CD2-CB 4.11Å; F476-P506 VanDerWaalsContact CD2-O 3.32Å; F476-P506 WeakPolarHBondContact CD2-O 3.44Å; F476-P506 HydrophobicContact CE2-CB 4.13Å; F476-I507 WeakPolarHBondContact O-CD1 3.3Å; F476-I539 HydrophobicContact CE1-CG2 3.94Å; F476-I539 HydrophobicContact CZ-CD1 4.43Å; F476-I539 HydrophobicContact CZ-CG1 4.48Å; F476-I539 HydrophobicContact CZ-CG2 3.89Å; F476-V543 HydrophobicContact CD1-CG1 4.22Å; F476-V543 HydrophobicContact CD2-CG1 4.37Å; F476-V543 HydrophobicContact CE1-CG1 3.83Å; F476-V543 HydrophobicContact CE2-CG1 3.98Å; F476-V543 HydrophobicContact CG-CG1 4.48Å; F476-V543 HydrophobicContact CZ-CB 4.42Å; F476-V543 HydrophobicContact CZ-CG1 3.69Å; F476-L544 HydrophobicContact CD1-CD2 3.8Å; F476-L544 HydrophobicContact CE1-CD2 3.82Å; F476-L544 HydrophobicContact CE1-CG 4.18Å
477	L	93.7	Very high	94.2	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	160.3	169.8	-63.9	175.2	0	0	0	109.3	P474 L484 E485 A487	P474-L477 HydrophobicContact CB-CD2 4.4Å; P474-L477 HydrophobicContact CG-CD2 3.73Å; L477-L484 CarbonylContact O-C 3.6Å; L477-L484 WeakPolarHBondContact O-CA 3.38Å; L477-E485 HydrophobicContact CB-CG 4.31Å; L477-E485 PolarHBondContact N-O 2.78Å; L477-E485 PolarHBondContact O-N 3.13Å; L477-A487 HydrophobicContact CD1-CB 4.07Å; L477-A487 HydrophobicContact CG-CB 3.88Å
478	R	92	Very high	93.8	Very high	157 Å²	157	58.1 Å²	58.1	59%	0.592	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.3	169.6	-71.4	-176	-178.2	-85.2	1.1	109.3	G482 R483 L484 I507	R478-G482 PolarHBondContact NH1-O 2.98Å; R478-R483 WeakPolarHBondContact CA-O 3.36Å; R478-L484 HydrophobicContact CG-CD2 4.06Å; R478-I507 HydrophobicContact CG-CD1 4.1Å
479	N	88.6	Confident	93.4	Very high	39 Å²	39	59.3 Å²	59.3	21%	0.209	29%	0.29	C	S	.	.			trans	-75.5	177.7	170.7	72.8	16.4	0	0	0	111.5	Q481 G482 R483 E485	N479-Q481 PolarHBondContact O-N 3.16Å; N479-Q481 VanDerWaalsContact O-N 3.12Å; N479-Q481 WeakPolarHBondContact OD1-CA 3.27Å; N479-Q481 WeakPolarHBondContact OD1-CB 3.26Å; N479-Q481 PolarHBondContact OD1-N 2.96Å; N479-Q481 PolarHBondContact OD1-OE1 2.95Å; N479-G482 PolarHBondContact O-N 3.19Å; N479-G482 PolarHBondContact OD1-N 3.49Å; N479-R483 PolarHBondContact N-O 3.43Å; N479-R483 PolarHBondContact OD1-N 3.02Å; N479-R483 PolarHBondContact OD1-O 3.36Å; N479-E485 HydrophobicContact CB-CG 4.35Å; N479-E485 WeakPolarHBondContact CB-OE2 3.25Å
480	K	82.5	Confident	93.2	Very high	198 Å²	198	59.5 Å²	59.5	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.6	-178.5	-63.6	-177.1	-179.4	178.3	0	113.8	G482	K480-G482 VanDerWaalsContact C-N 3.29Å
481	Q	86.7	Confident	93	Very high	143 Å²	143	59.7 Å²	59.7	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	4.6	177.2	-62.6	76.8	16	0	0	112.3	N479 R483	N479-Q481 PolarHBondContact O-N 3.16Å; N479-Q481 VanDerWaalsContact O-N 3.12Å; N479-Q481 WeakPolarHBondContact OD1-CA 3.27Å; N479-Q481 WeakPolarHBondContact OD1-CB 3.26Å; N479-Q481 PolarHBondContact OD1-N 2.96Å; N479-Q481 PolarHBondContact OD1-OE1 2.95Å; Q481-R483 PolarHBondContact O-N 3.44Å
482	G	88.2	Confident	92.9	Very high	37 Å²	37	58.7 Å²	58.7	38%	0.381	29%	0.286	S	S	.	.	S	Bend	trans	76.5	2.2	-179	0	0	0	0	0	114.5	R478 N479 K480	R478-G482 PolarHBondContact NH1-O 2.98Å; N479-G482 PolarHBondContact O-N 3.19Å; N479-G482 PolarHBondContact OD1-N 3.49Å; K480-G482 VanDerWaalsContact C-N 3.29Å
483	R	92.5	Very high	93	Very high	166 Å²	166	55 Å²	55	63%	0.626	27%	0.268	S	S	*	.			trans	-79.3	153.1	176.5	-60.8	-175.6	180	-175.6	-1.2	110.3	R478 N479 Q481	R478-R483 WeakPolarHBondContact CA-O 3.36Å; N479-R483 PolarHBondContact N-O 3.43Å; N479-R483 PolarHBondContact OD1-N 3.02Å; N479-R483 PolarHBondContact OD1-O 3.36Å; Q481-R483 PolarHBondContact O-N 3.44Å
484	L	94.1	Very high	93	Very high	32 Å²	32	54.8 Å²	54.8	17%	0.168	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.6	173.7	-62.8	-180	0	0	0	110.2	F476 L477 R478 P506 I507 V543	F476-L484 HydrophobicContact CB-CB 4.47Å; F476-L484 HydrophobicContact CB-CD2 4.3Å; L477-L484 CarbonylContact O-C 3.6Å; L477-L484 WeakPolarHBondContact O-CA 3.38Å; R478-L484 HydrophobicContact CG-CD2 4.06Å; L484-P506 HydrophobicContact CD1-CB 3.8Å; L484-P506 HydrophobicContact CD1-CG 4.24Å; L484-I507 HydrophobicContact CD2-CB 4.18Å; L484-I507 HydrophobicContact CD2-CD1 3.67Å; L484-I507 HydrophobicContact CD2-CG1 4.36Å; L484-V543 HydrophobicContact CD1-CG1 3.8Å
485	E	93.8	Very high	93	Very high	88 Å²	88	54.6 Å²	54.6	41%	0.411	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.3	168.2	65.9	-172.9	-176.9	0	0	109	F476 L477 N479	F476-E485 CarbonylContact C-O 3.59Å; F476-E485 WeakPolarHBondContact CA-O 3.44Å; L477-E485 HydrophobicContact CB-CG 4.31Å; L477-E485 PolarHBondContact N-O 2.78Å; L477-E485 PolarHBondContact O-N 3.13Å; N479-E485 HydrophobicContact CB-CG 4.35Å; N479-E485 WeakPolarHBondContact CB-OE2 3.25Å
486	S	93.9	Very high	92.8	Very high	29 Å²	29	60.1 Å²	60.1	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.8	174	-57.6	0	0	0	0	110.6	H488 P490 L544	S486-H488 PolarHBondContact O-N 2.95Å; S486-P490 WeakPolarHBondContact OG-CA 3.46Å; S486-L544 WeakPolarHBondContact OG-CD1 3.3Å
487	A	92.9	Very high	92.8	Very high	32 Å²	32	67.6 Å²	67.6	26%	0.264	33%	0.326	S	S	.	.	S	Bend	trans	-68.5	-25.2	175.6	0	0	0	0	0	113.1	P474 L475 L477	P474-A487 WeakPolarHBondContact O-CB 3.45Å; L475-A487 PolarHBondContact O-N 2.81Å; L477-A487 HydrophobicContact CD1-CB 4.07Å; L477-A487 HydrophobicContact CG-CB 3.88Å
488	H	89.8	Confident	92.9	Very high	69 Å²	69	66.7 Å²	66.7	32%	0.319	32%	0.32	S	S	.	.	S	Bend	trans	-127.3	-76.3	-179.8	-179.1	-115.4	0	0	0	111.1	S486 H513	S486-H488 PolarHBondContact O-N 2.95Å; H488-H513 HydrophobicContact CB-CB 4.46Å; H488-H513 AromaticContact CD2-CD2 3.72Å; H488-H513 AromaticContact CD2-NE2 3.55Å; H488-H513 AromaticContact CG-CD2 3.72Å; H488-H513 AromaticContact CG-CG 3.95Å; H488-H513 AromaticContact CG-NE2 3.9Å
489	H	91.5	Very high	93	Very high	24 Å²	24	62.1 Å²	62.1	11%	0.111	30%	0.304	C	S	.	.			trans	-152	158.3	172.1	61.9	44.9	0	0	0	110.2	F491 T492 S527 R529	H489-F491 PolarHBondContact ND1-N 3.17Å; H489-F491 PolarHBondContact O-N 2.68Å; H489-T492 PolarHBondContact CE1-OG1 3.04Å; H489-T492 PolarHBondContact ND1-N 3.38Å; H489-T492 PolarHBondContact ND1-OG1 3.06Å; H489-T492 VanDerWaalsContact ND1-OG1 3.15Å; H489-T492 PolarHBondContact O-N 3.48Å; H489-T492 PolarHBondContact O-OG1 3.21Å; H489-S527 PolarHBondContact CE1-OG 3.02Å; H489-S527 VanDerWaalsContact CE1-OG 3.3Å; H489-R529 PolarHBondContact CE1-NH1 3.18Å; H489-R529 VanDerWaalsContact CE1-NH1 3.27Å; H489-R529 PolarHBondContact NE2-NH1 3.41Å
490	P	93.5	Very high	93.4	Very high	6 Å²	6	66.1 Å²	66.1	4%	0.039	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.1	-170.2	26.6	-36.2	0	0	0	115.2	S486 Q536 L540 L544	S486-P490 WeakPolarHBondContact OG-CA 3.46Å; P490-Q536 PolarHBondContact O-NE2 2.97Å; P490-L540 HydrophobicContact CB-CD2 3.81Å; P490-L540 HydrophobicContact CG-CD2 4.41Å; P490-L544 HydrophobicContact CB-CD1 3.81Å
491	F	95.2	Very high	94	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	1.8	179.8	-41.5	-63.9	0	0	0	114.3	T197 Q222 Q223 H489 R529 I530 L551 M554	T197-F491 HydrophobicContact CG2-CZ 4.38Å; Q222-F491 HydrophobicContact CG-CD2 3.62Å; Q222-F491 HydrophobicContact CG-CE2 3.86Å; Q223-F491 HydrophobicContact CG-CE2 4.42Å; Q223-F491 HydrophobicContact CG-CZ 4.17Å; H489-F491 PolarHBondContact ND1-N 3.17Å; H489-F491 PolarHBondContact O-N 2.68Å; F491-R529 CarbonylContact O-C 3.48Å; F491-R529 VanDerWaalsContact O-CA 3.28Å; F491-R529 WeakPolarHBondContact O-CA 3.18Å; F491-I530 PolarHBondContact O-N 3.1Å; F491-L551 HydrophobicContact CE1-CD1 4.17Å; F491-L551 HydrophobicContact CE1-CD2 4.31Å; F491-L551 HydrophobicContact CZ-CD2 4.21Å; F491-M554 HydrophobicContact CD1-CE 3.66Å; F491-M554 HydrophobicContact CD1-SD 3.65Å; F491-M554 HydrophobicContact CE1-CE 3.4Å; F491-M554 VanDerWaalsContact CE1-CE 3.4Å; F491-M554 HydrophobicContact CE1-SD 3.36Å; F491-M554 WeakPolarHBondContact CE1-SD 3.35Å; F491-M554 HydrophobicContact CZ-SD 4.07Å
492	T	96.9	Very high	94.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-74.9	129.4	-176.2	-67.9	0	0	0	0	111.3	L475 H489 H513 S527 I530	L475-T492 HydrophobicContact CD1-CG2 3.66Å; H489-T492 PolarHBondContact CE1-OG1 3.04Å; H489-T492 PolarHBondContact ND1-N 3.38Å; H489-T492 PolarHBondContact ND1-OG1 3.06Å; H489-T492 VanDerWaalsContact ND1-OG1 3.15Å; H489-T492 PolarHBondContact O-N 3.48Å; H489-T492 PolarHBondContact O-OG1 3.21Å; T492-H513 HydrophobicContact CG2-CB 4.05Å; T492-S527 WeakPolarHBondContact OG1-CB 3.45Å; T492-S527 PolarHBondContact OG1-OG 3.41Å; T492-I530 WeakPolarHBondContact O-CD1 3.25Å
493	A	97.6	Very high	94.8	Very high	10 Å²	10	56 Å²	56	8%	0.083	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71.8	142	176.9	0	0	0	0	0	111.9	R512 V528 I530	A493-R512 PolarHBondContact O-N 3.5Å; A493-V528 HydrophobicContact CB-CB 4.22Å; A493-V528 HydrophobicContact CB-CG1 4.04Å; A493-V528 PolarHBondContact N-O 2.99Å; A493-I530 HydrophobicContact CB-CG1 4.26Å
494	P	97.8	Very high	94.9	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.019	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-68.9	155.9	166.9	31.4	-36.1	0	0	0	111	L475 K499 V509 M535	L475-P494 HydrophobicContact CD2-CB 4.04Å; P494-K499 HydrophobicContact CG-CG 3.89Å; P494-V509 HydrophobicContact CB-CG1 3.55Å; P494-M535 HydrophobicContact CG-SD 3.99Å
495	V	96.9	Very high	95	Very high	28 Å²	28	52.8 Å²	52.8	17%	0.17	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-62	143.5	165	-60.8	0	0	0	0	109.5	Q497 H498 K499 T510 R512	V495-Q497 PolarHBondContact O-N 2.79Å; V495-Q497 VanDerWaalsContact O-N 3.14Å; V495-H498 HydrophobicContact CG2-CB 3.6Å; V495-H498 PolarHBondContact O-N 3.45Å; V495-K499 PolarHBondContact O-N 2.91Å; V495-T510 HydrophobicContact CG1-CG2 3.96Å; V495-T510 PolarHBondContact N-O 2.96Å; V495-R512 HydrophobicContact CB-CG 4.42Å; V495-R512 HydrophobicContact CG1-CG 3.81Å
496	E	93.8	Very high	95.2	Very high	125 Å²	125	50 Å²	50	58%	0.584	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-53.5	-42.6	-172.1	-167.5	62.2	-145.5	0	0	112.4	H498 K499	E496-H498 VanDerWaalsContact C-N 3.25Å; E496-H498 PolarHBondContact O-N 2.91Å; E496-K499 VanDerWaalsContact CD-CE 3.45Å; E496-K499 PolarHBondContact O-N 2.62Å; E496-K499 WeakPolarHBondContact OE1-CD 3.36Å; E496-K499 WeakPolarHBondContact OE1-CE 3.39Å; E496-K499 IonicContact OE1-NZ 3.63Å; E496-K499 PolarHBondContact OE1-NZ 3Å; E496-K499 WeakPolarHBondContact OE2-CE 3.38Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 2.69Å
497	Q	96.4	Very high	95.3	Very high	160 Å²	160	51.1 Å²	51.1	75%	0.748	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.5	-177.6	-60.8	173.7	7.2	0	0	112.7	V495 H500	V495-Q497 PolarHBondContact O-N 2.79Å; V495-Q497 VanDerWaalsContact O-N 3.14Å; Q497-H500 PolarHBondContact O-CE1 2.84Å; Q497-H500 PolarHBondContact O-ND1 3.33Å
498	H	96.5	Very high	95.5	Very high	48 Å²	48	55.7 Å²	55.7	22%	0.222	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-98.1	1.3	-175.9	-63.2	-174.3	0	0	0	112.7	V495 E496 H500 L501 L502 K508 V509 T510	V495-H498 HydrophobicContact CG2-CB 3.6Å; V495-H498 PolarHBondContact O-N 3.45Å; E496-H498 VanDerWaalsContact C-N 3.25Å; E496-H498 PolarHBondContact O-N 2.91Å; H498-H500 PolarHBondContact O-N 3.45Å; H498-H500 VanDerWaalsContact O-N 3.17Å; H498-L501 HydrophobicContact CB-CD1 4.1Å; H498-L501 WeakPolarHBondContact O-CA 3.25Å; H498-L501 WeakPolarHBondContact O-CB 3.42Å; H498-L501 PolarHBondContact O-N 2.72Å; H498-L502 PolarHBondContact O-N 2.8Å; H498-K508 PolarHBondContact ND1-O 3.19Å; H498-V509 HydrophobicContact CB-CG1 4.13Å; H498-T510 PolarHBondContact CE1-OG1 2.99Å; H498-T510 WeakPolarHBondContact ND1-CB 3.32Å; H498-T510 PolarHBondContact ND1-N 3.38Å; H498-T510 VanDerWaalsContact ND1-N 3.13Å; H498-T510 PolarHBondContact ND1-OG1 2.87Å
499	K	94.8	Very high	95.9	Very high	62 Å²	62	52.4 Å²	52.4	27%	0.27	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-53.4	-38.8	179.4	-79.1	-177.4	177.7	174.2	0	113.4	P494 V495 E496 L501 L502 M535	P494-K499 HydrophobicContact CG-CG 3.89Å; V495-K499 PolarHBondContact O-N 2.91Å; E496-K499 VanDerWaalsContact CD-CE 3.45Å; E496-K499 PolarHBondContact O-N 2.62Å; E496-K499 WeakPolarHBondContact OE1-CD 3.36Å; E496-K499 WeakPolarHBondContact OE1-CE 3.39Å; E496-K499 IonicContact OE1-NZ 3.63Å; E496-K499 PolarHBondContact OE1-NZ 3Å; E496-K499 WeakPolarHBondContact OE2-CE 3.38Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 2.69Å; K499-L501 VanDerWaalsContact C-N 3.3Å; K499-L501 PolarHBondContact O-N 3.15Å; K499-L502 WeakPolarHBondContact O-CB 3.39Å; K499-L502 PolarHBondContact O-N 2.83Å; K499-M535 HydrophobicContact CD-CE 4.09Å; K499-M535 HydrophobicContact CG-CE 4.3Å
500	H	95.4	Very high	96.2	Very high	123 Å²	123	52.7 Å²	52.7	57%	0.569	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-67	-31.2	177.9	70.1	-79.6	0	0	0	112.7	Q497 H498 L502 Y503	Q497-H500 PolarHBondContact O-CE1 2.84Å; Q497-H500 PolarHBondContact O-ND1 3.33Å; H498-H500 PolarHBondContact O-N 3.45Å; H498-H500 VanDerWaalsContact O-N 3.17Å; H500-L502 PolarHBondContact O-N 2.96Å; H500-Y503 PolarHBondContact O-N 2.86Å
501	L	96.8	Very high	96.3	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.194	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.3	-20.7	176.7	-61.2	176.1	0	0	0	112	H498 K499 Y503 A504 D505 K508 V509	H498-L501 HydrophobicContact CB-CD1 4.1Å; H498-L501 WeakPolarHBondContact O-CA 3.25Å; H498-L501 WeakPolarHBondContact O-CB 3.42Å; H498-L501 PolarHBondContact O-N 2.72Å; K499-L501 VanDerWaalsContact C-N 3.3Å; K499-L501 PolarHBondContact O-N 3.15Å; L501-Y503 PolarHBondContact O-N 2.95Å; L501-Y503 VanDerWaalsContact O-N 3.17Å; L501-A504 PolarHBondContact O-N 3.44Å; L501-A504 VanDerWaalsContact O-N 3.16Å; L501-D505 CarbonylContact O-C 3.1Å; L501-D505 PolarHBondContact O-N 3.39Å; L501-K508 HydrophobicContact CD1-CB 4.11Å; L501-V509 HydrophobicContact CB-CG2 3.8Å
502	L	95.5	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32	175.2	-166.3	66.3	0	0	0	112.7	F476 H498 K499 H500 P506 V509 M535 Y538 I539 V543	F476-L502 HydrophobicContact CE2-CD1 3.77Å; F476-L502 HydrophobicContact CZ-CD1 4.01Å; H498-L502 PolarHBondContact O-N 2.8Å; K499-L502 WeakPolarHBondContact O-CB 3.39Å; K499-L502 PolarHBondContact O-N 2.83Å; H500-L502 PolarHBondContact O-N 2.96Å; L502-P506 WeakPolarHBondContact O-CG 3.27Å; L502-V509 HydrophobicContact CB-CG2 4.48Å; L502-V509 HydrophobicContact CD1-CG2 4.38Å; L502-M535 HydrophobicContact CD2-CG 4Å; L502-Y538 HydrophobicContact CD2-CD1 4.14Å; L502-Y538 HydrophobicContact CG-CD1 4.19Å; L502-Y538 HydrophobicContact CG-CE1 4.17Å; L502-I539 HydrophobicContact CD1-CD1 3.89Å; L502-I539 HydrophobicContact CD1-CG1 3.86Å; L502-I539 HydrophobicContact CD2-CD1 3.8Å; L502-I539 HydrophobicContact CD2-CG1 3.71Å; L502-I539 HydrophobicContact CG-CD1 4.44Å; L502-I539 HydrophobicContact CG-CG1 4.2Å; L502-V543 HydrophobicContact CD1-CG2 4.43Å
503	Y	95.1	Very high	96.4	Very high	128 Å²	128	55.5 Å²	55.5	50%	0.502	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-98.5	-12	-177.8	-51.8	-80.3	0	0	0	113.2	H500 L501 Y538	H500-Y503 PolarHBondContact O-N 2.86Å; L501-Y503 PolarHBondContact O-N 2.95Å; L501-Y503 VanDerWaalsContact O-N 3.17Å; Y503-Y538 AromaticContact CD1-CD1 3.93Å; Y503-Y538 HydrophobicContact CD1-CD1 3.93Å; Y503-Y538 HydrophobicContact CD1-CD2 4.18Å; Y503-Y538 AromaticContact CD1-CE1 3.43Å; Y503-Y538 HydrophobicContact CD1-CE1 3.43Å; Y503-Y538 VanDerWaalsContact CD1-CE1 3.43Å; Y503-Y538 AromaticContact CD1-CE2 3.72Å; Y503-Y538 HydrophobicContact CD1-CE2 3.72Å; Y503-Y538 HydrophobicContact CD1-CG 4.28Å; Y503-Y538 AromaticContact CD1-CZ 3.33Å; Y503-Y538 AromaticContact CE1-CD1 3.6Å; Y503-Y538 HydrophobicContact CE1-CD1 3.6Å; Y503-Y538 AromaticContact CE1-CD2 3.91Å; Y503-Y538 HydrophobicContact CE1-CD2 3.91Å; Y503-Y538 AromaticContact CE1-CE1 3.63Å; Y503-Y538 HydrophobicContact CE1-CE1 3.63Å; Y503-Y538 AromaticContact CE1-CE2 3.95Å; Y503-Y538 HydrophobicContact CE1-CE2 3.95Å; Y503-Y538 AromaticContact CE1-CG 3.75Å; Y503-Y538 HydrophobicContact CE1-CG 3.75Å; Y503-Y538 AromaticContact CE1-CZ 3.83Å; Y503-Y538 HydrophobicContact CG-CE1 4.32Å
504	A	95.3	Very high	96.4	Very high	80 Å²	80	55.1 Å²	55.1	66%	0.661	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-47.4	-173.3	0	0	0	0	0	112.7	L501	L501-A504 PolarHBondContact O-N 3.44Å; L501-A504 VanDerWaalsContact O-N 3.16Å
505	D	96.4	Very high	96.4	Very high	50 Å²	50	55.4 Å²	55.4	27%	0.267	27%	0.273	S	S	.	.			trans	-153.8	76.4	-177.1	-164.9	2.2	0	0	0	110.4	L501 I507 K508	L501-D505 CarbonylContact O-C 3.1Å; L501-D505 PolarHBondContact O-N 3.39Å; D505-I507 PolarHBondContact O-N 2.86Å; D505-I507 VanDerWaalsContact O-N 3.09Å; D505-I507 VanDerWaalsContact OD1-CG2 3.29Å; D505-I507 WeakPolarHBondContact OD1-CG2 3.1Å; D505-K508 HydrophobicContact CB-CD 4.41Å; D505-K508 PolarHBondContact O-N 3.36Å; D505-K508 WeakPolarHBondContact OD2-CD 3.13Å; D505-K508 WeakPolarHBondContact OD2-CE 3.45Å; D505-K508 IonicContact OD2-NZ 3.82Å; D505-K508 PolarHBondContact OD2-NZ 2.97Å
506	P	96.4	Very high	96.5	Very high	29 Å²	29	54.1 Å²	54.1	19%	0.188	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.6	-169.4	-22	26.8	0	0	0	114.1	F476 L484 L502 K508 V509 V543	F476-P506 HydrophobicContact CD2-CB 4.11Å; F476-P506 VanDerWaalsContact CD2-O 3.32Å; F476-P506 WeakPolarHBondContact CD2-O 3.44Å; F476-P506 HydrophobicContact CE2-CB 4.13Å; L484-P506 HydrophobicContact CD1-CB 3.8Å; L484-P506 HydrophobicContact CD1-CG 4.24Å; L502-P506 WeakPolarHBondContact O-CG 3.27Å; P506-K508 PolarHBondContact O-N 2.83Å; P506-K508 VanDerWaalsContact O-N 3.13Å; P506-V509 VanDerWaalsContact O-CB 3.27Å; P506-V509 WeakPolarHBondContact O-CB 3.47Å; P506-V509 VanDerWaalsContact O-CG2 3.24Å; P506-V509 WeakPolarHBondContact O-CG2 3.4Å; P506-V509 PolarHBondContact O-N 2.86Å; P506-V543 HydrophobicContact CB-CG1 3.76Å; P506-V543 HydrophobicContact CG-CG1 4.13Å; P506-V543 HydrophobicContact CG-CG2 4.32Å
507	I	96.4	Very high	96.8	Very high	53 Å²	53	48.2 Å²	48.2	27%	0.272	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.4	-18.8	-178.9	-167.4	61.2	0	0	0	113	F476 R478 L484 D505 V509	F476-I507 WeakPolarHBondContact O-CD1 3.3Å; R478-I507 HydrophobicContact CG-CD1 4.1Å; L484-I507 HydrophobicContact CD2-CB 4.18Å; L484-I507 HydrophobicContact CD2-CD1 3.67Å; L484-I507 HydrophobicContact CD2-CG1 4.36Å; D505-I507 PolarHBondContact O-N 2.86Å; D505-I507 VanDerWaalsContact O-N 3.09Å; D505-I507 VanDerWaalsContact OD1-CG2 3.29Å; D505-I507 WeakPolarHBondContact OD1-CG2 3.1Å; I507-V509 VanDerWaalsContact C-N 3.35Å
508	K	96.8	Very high	96.8	Very high	128 Å²	128	40.6 Å²	40.6	56%	0.557	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-88.6	-1.4	175.8	-67.8	-176.2	179.6	142.8	0	113.5	H498 L501 D505 P506	H498-K508 PolarHBondContact ND1-O 3.19Å; L501-K508 HydrophobicContact CD1-CB 4.11Å; D505-K508 HydrophobicContact CB-CD 4.41Å; D505-K508 PolarHBondContact O-N 3.36Å; D505-K508 WeakPolarHBondContact OD2-CD 3.13Å; D505-K508 WeakPolarHBondContact OD2-CE 3.45Å; D505-K508 IonicContact OD2-NZ 3.82Å; D505-K508 PolarHBondContact OD2-NZ 2.97Å; P506-K508 PolarHBondContact O-N 2.83Å; P506-K508 VanDerWaalsContact O-N 3.13Å
509	V	97.8	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-74.9	132.7	-179.1	-178.1	0	0	0	0	109.7	L475 P494 H498 L501 L502 P506 I507	L475-V509 HydrophobicContact CB-CB 4.12Å; L475-V509 HydrophobicContact CB-CG1 3.88Å; L475-V509 WeakPolarHBondContact CB-O 3.45Å; L475-V509 HydrophobicContact CD2-CB 4.31Å; L475-V509 HydrophobicContact CD2-CG1 3.54Å; L475-V509 HydrophobicContact CG-CG1 4.37Å; L475-V509 PolarHBondContact N-O 3.46Å; P494-V509 HydrophobicContact CB-CG1 3.55Å; H498-V509 HydrophobicContact CB-CG1 4.13Å; L501-V509 HydrophobicContact CB-CG2 3.8Å; L502-V509 HydrophobicContact CB-CG2 4.48Å; L502-V509 HydrophobicContact CD1-CG2 4.38Å; P506-V509 VanDerWaalsContact O-CB 3.27Å; P506-V509 WeakPolarHBondContact O-CB 3.47Å; P506-V509 VanDerWaalsContact O-CG2 3.24Å; P506-V509 WeakPolarHBondContact O-CG2 3.4Å; P506-V509 PolarHBondContact O-N 2.86Å; I507-V509 VanDerWaalsContact C-N 3.35Å
510	T	97.8	Very high	96.8	Very high	30 Å²	30	37 Å²	37	18%	0.184	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-94.6	132.3	172.4	-59.7	0	0	0	0	107.5	D472 F473 V495 H498	D472-T510 HydrophobicContact CB-CG2 4.09Å; F473-T510 WeakPolarHBondContact O-CG2 3.23Å; V495-T510 HydrophobicContact CG1-CG2 3.96Å; V495-T510 PolarHBondContact N-O 2.96Å; H498-T510 PolarHBondContact CE1-OG1 2.99Å; H498-T510 WeakPolarHBondContact ND1-CB 3.32Å; H498-T510 PolarHBondContact ND1-N 3.38Å; H498-T510 VanDerWaalsContact ND1-N 3.13Å; H498-T510 PolarHBondContact ND1-OG1 2.87Å
511	G	97.5	Very high	96.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-87.9	149.8	177.3	0	0	0	0	0	111.6	F473 H513	F473-G511 PolarHBondContact O-N 3.08Å; G511-H513 PolarHBondContact O-N 3Å
512	R	97.6	Very high	96.9	Very high	61 Å²	61	34.7 Å²	34.7	23%	0.23	19%	0.185	C	C	.	.			trans	-83	53.6	168.4	-63.2	-176.2	74.6	178.8	7.1	110.6	D267 E268 A493 V495 S527 V528	D267-R512 VanDerWaalsContact CB-NH2 3.34Å; E268-R512 IonicContact OE1-CZ 3.3Å; E268-R512 IonicContact OE1-NE 2.76Å; E268-R512 PolarHBondContact OE1-NE 3.08Å; E268-R512 IonicContact OE1-NH2 2.68Å; E268-R512 PolarHBondContact OE1-NH2 3.06Å; E268-R512 VanDerWaalsContact OE1-NH2 3.11Å; E268-R512 IonicContact OE2-CZ 2.93Å; E268-R512 IonicContact OE2-NE 3.11Å; E268-R512 PolarHBondContact OE2-NE 2.88Å; E268-R512 IonicContact OE2-NH2 3.65Å; E268-R512 PolarHBondContact OE2-NH2 2.87Å; A493-R512 PolarHBondContact O-N 3.5Å; V495-R512 HydrophobicContact CB-CG 4.42Å; V495-R512 HydrophobicContact CG1-CG 3.81Å; R512-S527 CarbonylContact O-C 3.6Å; R512-S527 WeakPolarHBondContact O-CA 3.35Å; R512-S527 VanDerWaalsContact O-CB 3.25Å; R512-S527 WeakPolarHBondContact O-CB 3.44Å; R512-V528 HydrophobicContact CB-CB 3.85Å; R512-V528 HydrophobicContact CB-CG2 4Å; R512-V528 PolarHBondContact O-N 2.94Å
513	H	95.2	Very high	97	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.5	177.8	155.6	-133.2	0	0	0	109.3	F473 H488 T492 G511 D515 G526	F473-H513 HydrophobicContact CB-CB 4.39Å; F473-H513 VanDerWaalsContact CB-ND1 3.3Å; F473-H513 WeakPolarHBondContact CB-ND1 3.37Å; F473-H513 AromaticContact CD1-CE1 3.47Å; F473-H513 VanDerWaalsContact CD1-CE1 3.47Å; F473-H513 WeakPolarHBondContact CD1-CE1 2.99Å; F473-H513 AromaticContact CD1-ND1 3.59Å; F473-H513 HydrophobicContact CD2-CB 4.48Å; F473-H513 AromaticContact CD2-CE1 3.44Å; F473-H513 VanDerWaalsContact CD2-CE1 3.44Å; F473-H513 WeakPolarHBondContact CD2-CE1 3.42Å; F473-H513 AromaticContact CD2-CG 3.83Å; F473-H513 AromaticContact CD2-ND1 3.27Å; F473-H513 VanDerWaalsContact CD2-ND1 3.27Å; F473-H513 WeakPolarHBondContact CD2-ND1 2.99Å; F473-H513 AromaticContact CE1-CE1 3.55Å; F473-H513 AromaticContact CE2-CE1 3.51Å; F473-H513 AromaticContact CE2-ND1 3.84Å; F473-H513 AromaticContact CE2-NE2 3.9Å; F473-H513 AromaticContact CG-CE1 3.4Å; F473-H513 VanDerWaalsContact CG-CE1 3.4Å; F473-H513 WeakPolarHBondContact CG-CE1 3.42Å; F473-H513 AromaticContact CG-ND1 3.1Å; F473-H513 WeakPolarHBondContact CG-ND1 3.18Å; F473-H513 AromaticContact CZ-CE1 3.57Å; H488-H513 HydrophobicContact CB-CB 4.46Å; H488-H513 AromaticContact CD2-CD2 3.72Å; H488-H513 AromaticContact CD2-NE2 3.55Å; H488-H513 AromaticContact CG-CD2 3.72Å; H488-H513 AromaticContact CG-CG 3.95Å; H488-H513 AromaticContact CG-NE2 3.9Å; T492-H513 HydrophobicContact CG2-CB 4.05Å; G511-H513 PolarHBondContact O-N 3Å; H513-D515 IonicContact CD2-OD1 2.94Å; H513-D515 IonicContact CE1-OD1 3.92Å; H513-D515 IonicContact CE1-OD2 3.89Å; H513-D515 IonicContact NE2-OD1 3.88Å; H513-D515 PolarHBondContact NE2-OD1 3.26Å; H513-D515 IonicContact NE2-OD2 3.88Å; H513-D515 PolarHBondContact NE2-OD2 2.98Å; H513-G526 WeakPolarHBondContact CA-O 3.42Å; H513-G526 PolarHBondContact CD2-O 3.27Å; H513-G526 VanDerWaalsContact CD2-O 3.29Å
514	Y	98.3	Very high	97.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	139.4	179.5	43.2	-90.3	0	0	0	111.5	E268 V271 M272 W469 I470 G526 S527 G567 F568	E268-Y514 HydrophobicContact CB-CD1 3.4Å; E268-Y514 HydrophobicContact CB-CE1 3.29Å; E268-Y514 HydrophobicContact CB-CG 4.33Å; V271-Y514 HydrophobicContact CB-CE2 4.2Å; V271-Y514 WeakPolarHBondContact CB-OH 3.36Å; V271-Y514 HydrophobicContact CG1-CE2 3.61Å; V271-Y514 WeakPolarHBondContact CG1-OH 3.36Å; V271-Y514 WeakPolarHBondContact CG2-OH 3.31Å; M272-Y514 HydrophobicContact CE-CD1 4.1Å; M272-Y514 HydrophobicContact CE-CD2 4.11Å; M272-Y514 HydrophobicContact CE-CG 3.6Å; W469-Y514 HydrophobicContact CE3-CD2 4.36Å; W469-Y514 AromaticContact CZ3-CD2 3.92Å; W469-Y514 HydrophobicContact CZ3-CD2 3.92Å; I470-Y514 CarbonylContact O-C 3.59Å; I470-Y514 WeakPolarHBondContact O-CA 3.43Å; Y514-G526 PolarHBondContact N-O 3.31Å; Y514-G526 PolarHBondContact O-N 3.29Å; Y514-S527 PolarHBondContact OH-N 3.05Å; Y514-G567 PolarHBondContact OH-O 3.38Å; Y514-F568 HydrophobicContact CD2-CD2 4.25Å; Y514-F568 HydrophobicContact CE2-CD2 4.05Å
515	D	98.5	Very high	97.2	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.053	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	177.5	-74.1	-21.4	0	0	0	111.1	W469 I470 F473 H513 E522 G524 G525	W469-D515 CarbonylContact C-O 3.55Å; W469-D515 WeakPolarHBondContact CA-O 3.02Å; I470-D515 PolarHBondContact N-O 3.34Å; I470-D515 PolarHBondContact O-N 3.43Å; F473-D515 HydrophobicContact CE2-CB 4.32Å; F473-D515 HydrophobicContact CZ-CB 4.11Å; F473-D515 WeakPolarHBondContact CZ-OD2 3.37Å; H513-D515 IonicContact CD2-OD1 2.94Å; H513-D515 IonicContact CE1-OD1 3.92Å; H513-D515 IonicContact CE1-OD2 3.89Å; H513-D515 IonicContact NE2-OD1 3.88Å; H513-D515 PolarHBondContact NE2-OD1 3.26Å; H513-D515 IonicContact NE2-OD2 3.88Å; H513-D515 PolarHBondContact NE2-OD2 2.98Å; D515-E522 HydrophobicContact CB-CG 4.47Å; D515-G524 WeakPolarHBondContact CA-O 3.47Å; D515-G525 WeakPolarHBondContact OD1-CA 3.4Å
516	L	98.7	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.6	170.7	-173.3	61.2	0	0	0	109.5	V275 I279 F295 F467 W469 L523 G524 F568	V275-L516 HydrophobicContact CG1-CD2 3.97Å; I279-L516 HydrophobicContact CD1-CD2 3.56Å; F295-L516 HydrophobicContact CD2-CD1 3.73Å; F295-L516 HydrophobicContact CE2-CD1 4.11Å; F295-L516 HydrophobicContact CE2-CD2 4.48Å; F467-L516 HydrophobicContact CD1-CD1 3.99Å; F467-L516 HydrophobicContact CD1-CD2 4.13Å; F467-L516 HydrophobicContact CD1-CG 4.15Å; F467-L516 HydrophobicContact CE1-CD2 4.28Å; W469-L516 HydrophobicContact CD2-CD1 3.89Å; W469-L516 HydrophobicContact CE3-CB 3.98Å; W469-L516 HydrophobicContact CE3-CD1 4.16Å; W469-L516 HydrophobicContact CG-CD1 4.44Å; W469-L516 HydrophobicContact CH2-CB 3.9Å; W469-L516 HydrophobicContact CH2-CD1 4.24Å; W469-L516 HydrophobicContact CH2-CD2 4.37Å; W469-L516 HydrophobicContact CH2-CG 4.4Å; W469-L516 HydrophobicContact CZ2-CB 4.47Å; W469-L516 HydrophobicContact CZ2-CD1 3.95Å; W469-L516 HydrophobicContact CZ2-CD2 4.44Å; W469-L516 HydrophobicContact CZ3-CB 3.63Å; W469-L516 HydrophobicContact CZ3-CD1 4.34Å; W469-L516 HydrophobicContact CZ3-CG 4.48Å; L516-L523 HydrophobicContact CD2-CD1 4.48Å; L516-L523 PolarHBondContact O-N 2.98Å; L516-G524 PolarHBondContact N-O 3.24Å; L516-F568 HydrophobicContact CB-CE2 4.14Å; L516-F568 HydrophobicContact CB-CZ 3.69Å; L516-F568 HydrophobicContact CD2-CZ 4.41Å
517	V	98.5	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.5	177.2	-179.9	0	0	0	0	109.1	K311 F467 L468 I470 V521	K311-V517 HydrophobicContact CB-CG1 4.01Å; K311-V517 HydrophobicContact CB-CG2 4.14Å; F467-V517 CarbonylContact C-O 3.6Å; F467-V517 WeakPolarHBondContact CA-O 3.31Å; L468-V517 PolarHBondContact N-O 2.76Å; L468-V517 PolarHBondContact O-N 2.86Å; I470-V517 HydrophobicContact CG1-CG2 3.9Å; V517-V521 CarbonylContact C-O 3.58Å; V517-V521 WeakPolarHBondContact CA-O 3.38Å
518	A	97.8	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.7	168.4	0	0	0	0	0	109.9	F467 G520 V521 L523 L578	F467-A518 HydrophobicContact CD1-CB 3.79Å; F467-A518 HydrophobicContact CD2-CB 4.33Å; F467-A518 HydrophobicContact CE1-CB 3.84Å; F467-A518 HydrophobicContact CE2-CB 4.37Å; F467-A518 HydrophobicContact CG-CB 4.05Å; F467-A518 HydrophobicContact CZ-CB 4.13Å; A518-G520 VanDerWaalsContact C-N 3.27Å; A518-G520 PolarHBondContact O-N 3.41Å; A518-V521 PolarHBondContact N-O 3.06Å; A518-V521 PolarHBondContact O-N 2.99Å; A518-L523 HydrophobicContact CB-CD1 3.64Å; A518-L523 HydrophobicContact CB-CG 4.16Å; A518-L578 HydrophobicContact CB-CD2 3.68Å
519	N	96.1	Very high	97.4	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.064	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.9	173.2	-66.6	-3.2	0	0	0	114	S464 E466 V521 L578	S464-N519 PolarHBondContact O-ND2 3.27Å; S464-N519 PolarHBondContact O-OD1 2.97Å; E466-N519 PolarHBondContact N-OD1 3.06Å; N519-V521 VanDerWaalsContact C-N 3.34Å; N519-L578 HydrophobicContact CB-CD1 4.22Å
520	G	95.6	Very high	97.4	Very high	24 Å²	24	13.6 Å²	13.6	25%	0.247	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	5	-179.5	0	0	0	0	0	115.3	K311 P312 A518	K311-G520 WeakPolarHBondContact O-CA 2.99Å; P312-G520 PolarHBondContact O-N 3.48Å; A518-G520 VanDerWaalsContact C-N 3.27Å; A518-G520 PolarHBondContact O-N 3.41Å
521	V	95.9	Very high	97.3	Very high	52 Å²	52	15.6 Å²	15.6	32%	0.315	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.2	179.8	-177.1	0	0	0	0	109.6	V517 A518 N519 L523 L578	V517-V521 CarbonylContact C-O 3.58Å; V517-V521 WeakPolarHBondContact CA-O 3.38Å; A518-V521 PolarHBondContact N-O 3.06Å; A518-V521 PolarHBondContact O-N 2.99Å; N519-V521 VanDerWaalsContact C-N 3.34Å; V521-L523 HydrophobicContact CG1-CD2 4.18Å; V521-L523 PolarHBondContact O-N 2.84Å; V521-L578 HydrophobicContact CG2-CD1 4.39Å
522	E	97.1	Very high	97.3	Very high	58 Å²	58	18.9 Å²	18.9	27%	0.271	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	108.2	165.7	-177	-151.8	113.5	0	0	109	K311 D515 R574	K311-E522 HydrophobicContact CB-CB 4.47Å; D515-E522 HydrophobicContact CB-CG 4.47Å; E522-R574 WeakPolarHBondContact O-CD 3.46Å; E522-R574 PolarHBondContact O-NH1 3.25Å; E522-R574 IonicContact OE1-NH1 2.9Å
523	L	97.8	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-29.6	-177.6	-69	-176.3	0	0	0	112.3	F467 L516 A518 V521 L570 G571 R574 Y575 L578	F467-L523 HydrophobicContact CD1-CD1 4.25Å; F467-L523 HydrophobicContact CE1-CD1 3.51Å; F467-L523 HydrophobicContact CZ-CD1 4.22Å; L516-L523 HydrophobicContact CD2-CD1 4.48Å; L516-L523 PolarHBondContact O-N 2.98Å; A518-L523 HydrophobicContact CB-CD1 3.64Å; A518-L523 HydrophobicContact CB-CG 4.16Å; V521-L523 HydrophobicContact CG1-CD2 4.18Å; V521-L523 PolarHBondContact O-N 2.84Å; L523-L570 HydrophobicContact CB-CD1 3.91Å; L523-G571 WeakPolarHBondContact O-CA 3.27Å; L523-G571 PolarHBondContact O-N 2.94Å; L523-R574 HydrophobicContact CD2-CB 4.42Å; L523-Y575 HydrophobicContact CD1-CD2 4.07Å; L523-L578 HydrophobicContact CD1-CD2 4.35Å; L523-L578 HydrophobicContact CD2-CD2 4.11Å
524	G	97.3	Very high	97.4	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	165.8	-179	0	0	0	0	0	111.7	D515 L516 F568 A569	D515-G524 WeakPolarHBondContact CA-O 3.47Å; L516-G524 PolarHBondContact N-O 3.24Å; G524-F568 VanDerWaalsContact C-CE2 3.43Å; G524-F568 VanDerWaalsContact C-CZ 3.44Å; G524-F568 WeakPolarHBondContact O-CE2 3.36Å; G524-A569 WeakPolarHBondContact CA-O 3.45Å
525	G	97.3	Very high	97.3	Very high	11 Å²	11	21.5 Å²	21.5	11%	0.113	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.7	-178.2	0	0	0	0	0	111.9	D515 F568 A569	D515-G525 WeakPolarHBondContact OD1-CA 3.4Å; G525-F568 VanDerWaalsContact C-CD2 3.41Å; G525-F568 WeakPolarHBondContact O-CD2 3.38Å; G525-A569 PolarHBondContact N-O 3.14Å; G525-A569 PolarHBondContact O-N 2.8Å
526	G	97.5	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	167	-178.9	0	0	0	0	0	112.5	H513 Y514 G567	H513-G526 WeakPolarHBondContact CA-O 3.42Å; H513-G526 PolarHBondContact CD2-O 3.27Å; H513-G526 VanDerWaalsContact CD2-O 3.29Å; Y514-G526 PolarHBondContact N-O 3.31Å; Y514-G526 PolarHBondContact O-N 3.29Å; G526-G567 CarbonylContact C-O 3.5Å; G526-G567 WeakPolarHBondContact CA-O 3.49Å
527	S	97.9	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.8	174.6	91.1	0	0	0	0	111	H489 T492 R512 Y514 R529 A566 G567	H489-S527 PolarHBondContact CE1-OG 3.02Å; H489-S527 VanDerWaalsContact CE1-OG 3.3Å; T492-S527 WeakPolarHBondContact OG1-CB 3.45Å; T492-S527 PolarHBondContact OG1-OG 3.41Å; R512-S527 CarbonylContact O-C 3.6Å; R512-S527 WeakPolarHBondContact O-CA 3.35Å; R512-S527 VanDerWaalsContact O-CB 3.25Å; R512-S527 WeakPolarHBondContact O-CB 3.44Å; Y514-S527 PolarHBondContact OH-N 3.05Å; S527-R529 VanDerWaalsContact N-NH1 3.16Å; S527-R529 PolarHBondContact O-NH1 2.92Å; S527-R529 PolarHBondContact OG-NH1 3.08Å; S527-A566 WeakPolarHBondContact O-CA 3.33Å; S527-G567 PolarHBondContact N-O 3.3Å; S527-G567 PolarHBondContact O-N 3.13Å; S527-G567 VanDerWaalsContact O-N 3.13Å
528	V	98.2	Very high	97	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141	156.1	-177.5	0	0	0	0	108	E268 A493 R512 A566	E268-V528 WeakPolarHBondContact OE2-CG2 3.47Å; A493-V528 HydrophobicContact CB-CB 4.22Å; A493-V528 HydrophobicContact CB-CG1 4.04Å; A493-V528 PolarHBondContact N-O 2.99Å; R512-V528 HydrophobicContact CB-CB 3.85Å; R512-V528 HydrophobicContact CB-CG2 4Å; R512-V528 PolarHBondContact O-N 2.94Å; V528-A566 HydrophobicContact CB-CB 4.38Å; V528-A566 HydrophobicContact CG2-CB 3.94Å
529	R	97.3	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-99.1	152	-177.4	-46.3	-56.2	-179.7	-155.1	-0.4	112.1	Q222 Q226 E262 H489 F491 S527 H531 H565 G567	Q222-R529 VanDerWaalsContact NE2-CZ 3.27Å; Q222-R529 VanDerWaalsContact NE2-NE 3.18Å; Q226-R529 HydrophobicContact CG-CG 4.11Å; E262-R529 VanDerWaalsContact OE1-CG 3.24Å; E262-R529 WeakPolarHBondContact OE1-CG 3.3Å; E262-R529 IonicContact OE1-CZ 2.82Å; E262-R529 IonicContact OE1-NE 3.65Å; E262-R529 PolarHBondContact OE1-NE 2.92Å; E262-R529 IonicContact OE1-NH2 3.71Å; E262-R529 IonicContact OE2-CZ 3.09Å; E262-R529 IonicContact OE2-NE 3.63Å; E262-R529 PolarHBondContact OE2-NE 3.39Å; E262-R529 IonicContact OE2-NH2 3.46Å; E262-R529 PolarHBondContact OE2-NH2 3.04Å; H489-R529 PolarHBondContact CE1-NH1 3.18Å; H489-R529 VanDerWaalsContact CE1-NH1 3.27Å; H489-R529 PolarHBondContact NE2-NH1 3.41Å; F491-R529 CarbonylContact O-C 3.48Å; F491-R529 VanDerWaalsContact O-CA 3.28Å; F491-R529 WeakPolarHBondContact O-CA 3.18Å; S527-R529 VanDerWaalsContact N-NH1 3.16Å; S527-R529 PolarHBondContact O-NH1 2.92Å; S527-R529 PolarHBondContact OG-NH1 3.08Å; R529-H531 PolarHBondContact O-N 2.85Å; R529-H565 WeakPolarHBondContact CB-CD2 3.47Å; R529-H565 WeakPolarHBondContact CB-NE2 3.45Å; R529-H565 WeakPolarHBondContact CG-CD2 3.29Å; R529-H565 WeakPolarHBondContact CG-NE2 3.31Å; R529-H565 PolarHBondContact N-O 3.14Å; R529-G567 PolarHBondContact NH2-O 2.77Å
530	I	97.3	Very high	96.9	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-72.4	117.7	168.2	-56.9	158.7	0	0	0	107.7	F491 T492 A493 D532 M535 Q536 I539	F491-I530 PolarHBondContact O-N 3.1Å; T492-I530 WeakPolarHBondContact O-CD1 3.25Å; A493-I530 HydrophobicContact CB-CG1 4.26Å; I530-D532 WeakPolarHBondContact CG2-O 3.28Å; I530-M535 HydrophobicContact CG2-CB 4.03Å; I530-M535 HydrophobicContact CG2-CG 4.06Å; I530-M535 HydrophobicContact CG2-SD 4.11Å; I530-Q536 HydrophobicContact CB-CB 4.44Å; I530-Q536 HydrophobicContact CG2-CB 3.83Å; I530-I539 HydrophobicContact CD1-CD1 3.63Å
531	H	96.6	Very high	96.8	Very high	72 Å²	72	29.4 Å²	29.4	33%	0.333	15%	0.146	S	C	.	.			trans	-102.2	-9.2	176.6	56.3	-83.2	0	0	0	112.5	R529 A562 P563	R529-H531 PolarHBondContact O-N 2.85Å; H531-A562 HydrophobicContact CB-CB 4.1Å; H531-P563 WeakPolarHBondContact CB-O 3.4Å
532	D	97	Very high	96.8	Very high	71 Å²	71	32.7 Å²	32.7	38%	0.38	16%	0.158	S	C	.	.			trans	-92.2	117.7	175.7	177.4	71.4	0	0	0	110.8	I530 N534 M535 Q536	I530-D532 WeakPolarHBondContact CG2-O 3.28Å; D532-N534 VanDerWaalsContact C-N 3.3Å; D532-N534 PolarHBondContact O-N 2.9Å; D532-N534 WeakPolarHBondContact OD2-CB 3.24Å; D532-N534 PolarHBondContact OD2-N 3.39Å; D532-M535 HydrophobicContact CB-CB 4.21Å; D532-M535 PolarHBondContact O-N 3.32Å; D532-M535 WeakPolarHBondContact OD2-CB 3.46Å; D532-M535 PolarHBondContact OD2-N 2.88Å; D532-Q536 PolarHBondContact O-N 3.14Å
533	S	97.1	Very high	96.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-37.5	-177.8	-175.4	0	0	0	0	112.5	Q536 R537 L555 D559	S533-Q536 PolarHBondContact O-N 2.87Å; S533-R537 VanDerWaalsContact O-CB 3.27Å; S533-R537 WeakPolarHBondContact O-CB 3.19Å; S533-R537 PolarHBondContact O-N 3.35Å; S533-L555 PolarHBondContact OG-O 3.33Å; S533-D559 WeakPolarHBondContact CB-OD1 3.3Å; S533-D559 WeakPolarHBondContact CB-OD2 3.47Å; S533-D559 VanDerWaalsContact OG-CG 3.25Å; S533-D559 PolarHBondContact OG-OD1 2.88Å; S533-D559 PolarHBondContact OG-OD2 2.9Å
534	N	96.9	Very high	96.6	Very high	101 Å²	101	31.5 Å²	31.5	54%	0.54	15%	0.154	S	C	.	.	H	α-helix	trans	-68	-45.5	-178	-65.6	-46	0	0	0	111.8	D532 R537 Y538	D532-N534 VanDerWaalsContact C-N 3.3Å; D532-N534 PolarHBondContact O-N 2.9Å; D532-N534 WeakPolarHBondContact OD2-CB 3.24Å; D532-N534 PolarHBondContact OD2-N 3.39Å; N534-R537 PolarHBondContact O-N 2.96Å; N534-R537 PolarHBondContact OD1-NH1 2.85Å; N534-Y538 WeakPolarHBondContact O-CB 3.24Å; N534-Y538 PolarHBondContact O-N 3.42Å
535	M	97.1	Very high	96.4	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-45.9	173.5	-178.2	-179.7	-63.1	0	0	111.1	P494 K499 L502 I530 D532 R537 Y538 I539	P494-M535 HydrophobicContact CG-SD 3.99Å; K499-M535 HydrophobicContact CD-CE 4.09Å; K499-M535 HydrophobicContact CG-CE 4.3Å; L502-M535 HydrophobicContact CD2-CG 4Å; I530-M535 HydrophobicContact CG2-CB 4.03Å; I530-M535 HydrophobicContact CG2-CG 4.06Å; I530-M535 HydrophobicContact CG2-SD 4.11Å; D532-M535 HydrophobicContact CB-CB 4.21Å; D532-M535 PolarHBondContact O-N 3.32Å; D532-M535 WeakPolarHBondContact OD2-CB 3.46Å; D532-M535 PolarHBondContact OD2-N 2.88Å; M535-R537 VanDerWaalsContact C-N 3.32Å; M535-R537 PolarHBondContact O-N 3.46Å; M535-Y538 PolarHBondContact O-N 3.25Å; M535-I539 HydrophobicContact CG-CD1 4.23Å; M535-I539 WeakPolarHBondContact O-CG1 3.33Å; M535-I539 PolarHBondContact O-N 3.23Å
536	Q	96.6	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-42.6	179.2	-175.1	63.9	78.4	0	0	111.5	P490 I530 D532 S533 L540 M554 L555 L558	P490-Q536 PolarHBondContact O-NE2 2.97Å; I530-Q536 HydrophobicContact CB-CB 4.44Å; I530-Q536 HydrophobicContact CG2-CB 3.83Å; D532-Q536 PolarHBondContact O-N 3.14Å; S533-Q536 PolarHBondContact O-N 2.87Å; Q536-L540 HydrophobicContact CG-CD1 4.09Å; Q536-L540 WeakPolarHBondContact O-CD1 3.24Å; Q536-L540 VanDerWaalsContact O-CG 3.29Å; Q536-L540 WeakPolarHBondContact O-CG 3.27Å; Q536-L540 PolarHBondContact O-N 3.4Å; Q536-L540 VanDerWaalsContact O-N 3.14Å; Q536-M554 HydrophobicContact CG-CE 3.94Å; Q536-L555 HydrophobicContact CB-CD2 3.88Å; Q536-L555 HydrophobicContact CG-CD2 3.61Å; Q536-L558 HydrophobicContact CB-CD1 4.12Å; Q536-L558 HydrophobicContact CG-CD1 4.25Å
537	R	96.3	Very high	95.7	Very high	72 Å²	72	42.8 Å²	42.8	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-62.4	-47.5	175.6	-175.4	178.5	-64.5	112.5	2.9	111.3	S533 N534 M535 I539 L540 E541 T548 D559	S533-R537 VanDerWaalsContact O-CB 3.27Å; S533-R537 WeakPolarHBondContact O-CB 3.19Å; S533-R537 PolarHBondContact O-N 3.35Å; N534-R537 PolarHBondContact O-N 2.96Å; N534-R537 PolarHBondContact OD1-NH1 2.85Å; M535-R537 VanDerWaalsContact C-N 3.32Å; M535-R537 PolarHBondContact O-N 3.46Å; R537-I539 PolarHBondContact O-N 3.04Å; R537-L540 PolarHBondContact O-N 3.47Å; R537-E541 HydrophobicContact CG-CG 4.29Å; R537-E541 VanDerWaalsContact CG-OE2 3.24Å; R537-E541 WeakPolarHBondContact CG-OE2 3.27Å; R537-E541 WeakPolarHBondContact O-CB 3.47Å; R537-E541 PolarHBondContact O-N 2.87Å; R537-T548 HydrophobicContact CG-CG2 4.38Å; R537-D559 IonicContact NH2-OD2 3.79Å
538	Y	96.9	Very high	95.4	Very high	68 Å²	68	43.8 Å²	43.8	27%	0.267	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-45.3	178	-177.6	-92.7	0	0	0	112.2	L502 Y503 N534 M535 L540 E542 V543	L502-Y538 HydrophobicContact CD2-CD1 4.14Å; L502-Y538 HydrophobicContact CG-CD1 4.19Å; L502-Y538 HydrophobicContact CG-CE1 4.17Å; Y503-Y538 AromaticContact CD1-CD1 3.93Å; Y503-Y538 HydrophobicContact CD1-CD1 3.93Å; Y503-Y538 HydrophobicContact CD1-CD2 4.18Å; Y503-Y538 AromaticContact CD1-CE1 3.43Å; Y503-Y538 HydrophobicContact CD1-CE1 3.43Å; Y503-Y538 VanDerWaalsContact CD1-CE1 3.43Å; Y503-Y538 AromaticContact CD1-CE2 3.72Å; Y503-Y538 HydrophobicContact CD1-CE2 3.72Å; Y503-Y538 HydrophobicContact CD1-CG 4.28Å; Y503-Y538 AromaticContact CD1-CZ 3.33Å; Y503-Y538 AromaticContact CE1-CD1 3.6Å; Y503-Y538 HydrophobicContact CE1-CD1 3.6Å; Y503-Y538 AromaticContact CE1-CD2 3.91Å; Y503-Y538 HydrophobicContact CE1-CD2 3.91Å; Y503-Y538 AromaticContact CE1-CE1 3.63Å; Y503-Y538 HydrophobicContact CE1-CE1 3.63Å; Y503-Y538 AromaticContact CE1-CE2 3.95Å; Y503-Y538 HydrophobicContact CE1-CE2 3.95Å; Y503-Y538 AromaticContact CE1-CG 3.75Å; Y503-Y538 HydrophobicContact CE1-CG 3.75Å; Y503-Y538 AromaticContact CE1-CZ 3.83Å; Y503-Y538 HydrophobicContact CG-CE1 4.32Å; N534-Y538 WeakPolarHBondContact O-CB 3.24Å; N534-Y538 PolarHBondContact O-N 3.42Å; M535-Y538 PolarHBondContact O-N 3.25Å; Y538-L540 VanDerWaalsContact C-N 3.35Å; Y538-L540 PolarHBondContact O-N 3.41Å; Y538-E542 HydrophobicContact CD2-CB 3.9Å; Y538-E542 HydrophobicContact CD2-CG 3.63Å; Y538-E542 HydrophobicContact CE1-CB 4.38Å; Y538-E542 HydrophobicContact CE2-CB 3.69Å; Y538-E542 HydrophobicContact CE2-CG 3.67Å; Y538-E542 HydrophobicContact CG-CB 4.33Å; Y538-E542 HydrophobicContact CG-CG 4.36Å; Y538-E542 WeakPolarHBondContact O-CA 3.46Å; Y538-E542 VanDerWaalsContact O-CB 3.3Å; Y538-E542 WeakPolarHBondContact O-CB 3.4Å; Y538-E542 PolarHBondContact O-N 3.26Å; Y538-V543 HydrophobicContact CD1-CG2 4.03Å; Y538-V543 HydrophobicContact CE1-CG2 3.69Å; Y538-V543 PolarHBondContact O-N 3.26Å
539	I	96	Very high	95	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.254	C	S	.	.	I	π-helix	trans	-61.7	-45.1	178.3	-70.4	-177.7	0	0	0	111.3	F476 L502 I530 M535 R537 V543 L544	F476-I539 HydrophobicContact CE1-CG2 3.94Å; F476-I539 HydrophobicContact CZ-CD1 4.43Å; F476-I539 HydrophobicContact CZ-CG1 4.48Å; F476-I539 HydrophobicContact CZ-CG2 3.89Å; L502-I539 HydrophobicContact CD1-CD1 3.89Å; L502-I539 HydrophobicContact CD1-CG1 3.86Å; L502-I539 HydrophobicContact CD2-CD1 3.8Å; L502-I539 HydrophobicContact CD2-CG1 3.71Å; L502-I539 HydrophobicContact CG-CD1 4.44Å; L502-I539 HydrophobicContact CG-CG1 4.2Å; I530-I539 HydrophobicContact CD1-CD1 3.63Å; M535-I539 HydrophobicContact CG-CD1 4.23Å; M535-I539 WeakPolarHBondContact O-CG1 3.33Å; M535-I539 PolarHBondContact O-N 3.23Å; R537-I539 PolarHBondContact O-N 3.04Å; I539-V543 WeakPolarHBondContact O-CB 3.29Å; I539-V543 PolarHBondContact O-N 3.4Å; I539-L544 HydrophobicContact CG2-CD1 3.95Å; I539-L544 HydrophobicContact CG2-CG 4.24Å; I539-L544 WeakPolarHBondContact O-CB 3.45Å; I539-L544 WeakPolarHBondContact O-CG 2.89Å; I539-L544 PolarHBondContact O-N 3.09Å
540	L	94.7	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-66.1	-52.2	-179.6	-69.7	166.3	0	0	0	111.3	P490 Q536 R537 Y538 L544 L545 E546 T548 L551	P490-L540 HydrophobicContact CB-CD2 3.81Å; P490-L540 HydrophobicContact CG-CD2 4.41Å; Q536-L540 HydrophobicContact CG-CD1 4.09Å; Q536-L540 WeakPolarHBondContact O-CD1 3.24Å; Q536-L540 VanDerWaalsContact O-CG 3.29Å; Q536-L540 WeakPolarHBondContact O-CG 3.27Å; Q536-L540 PolarHBondContact O-N 3.4Å; Q536-L540 VanDerWaalsContact O-N 3.14Å; R537-L540 PolarHBondContact O-N 3.47Å; Y538-L540 VanDerWaalsContact C-N 3.35Å; Y538-L540 PolarHBondContact O-N 3.41Å; L540-L544 HydrophobicContact CD2-CD1 4.45Å; L540-L544 CarbonylContact O-C 3.53Å; L540-L545 PolarHBondContact O-N 3.49Å; L540-L545 VanDerWaalsContact O-N 3.08Å; L540-E546 PolarHBondContact O-N 3.04Å; L540-T548 HydrophobicContact CB-CG2 3.9Å; L540-T548 HydrophobicContact CD1-CG2 4Å; L540-L551 HydrophobicContact CD1-CD1 3.64Å; L540-L551 HydrophobicContact CD2-CD1 4.04Å
541	E	95.2	Very high	94.5	Very high	70 Å²	70	52.9 Å²	52.9	33%	0.327	27%	0.267	S	S	.	.	I	π-helix	trans	-81.5	-44	-169.7	-63.6	179	166.3	0	0	112.8	R537 L545 T548	R537-E541 HydrophobicContact CG-CG 4.29Å; R537-E541 VanDerWaalsContact CG-OE2 3.24Å; R537-E541 WeakPolarHBondContact CG-OE2 3.27Å; R537-E541 WeakPolarHBondContact O-CB 3.47Å; R537-E541 PolarHBondContact O-N 2.87Å; E541-L545 WeakPolarHBondContact O-CA 3.45Å; E541-T548 HydrophobicContact CG-CG2 3.5Å; E541-T548 WeakPolarHBondContact OE1-CB 3.45Å; E541-T548 WeakPolarHBondContact OE1-CG2 3.41Å; E541-T548 PolarHBondContact OE1-OG1 2.8Å
542	E	95.7	Very high	94.4	Very high	122 Å²	122	52.5 Å²	52.5	57%	0.57	27%	0.269	S	S	*	.	I	π-helix	trans	-96.5	-34.6	-170.4	-57.4	-63.3	150.4	0	0	112.8	Y538	Y538-E542 HydrophobicContact CD2-CB 3.9Å; Y538-E542 HydrophobicContact CD2-CG 3.63Å; Y538-E542 HydrophobicContact CE1-CB 4.38Å; Y538-E542 HydrophobicContact CE2-CB 3.69Å; Y538-E542 HydrophobicContact CE2-CG 3.67Å; Y538-E542 HydrophobicContact CG-CB 4.33Å; Y538-E542 HydrophobicContact CG-CG 4.36Å; Y538-E542 WeakPolarHBondContact O-CA 3.46Å; Y538-E542 VanDerWaalsContact O-CB 3.3Å; Y538-E542 WeakPolarHBondContact O-CB 3.4Å; Y538-E542 PolarHBondContact O-N 3.26Å
543	V	95.4	Very high	94.3	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	27%	0.267	C	S	.	.	I	π-helix	trans	-91.3	-50.4	-178	-175.1	0	0	0	0	111.6	F476 L484 L502 P506 Y538 I539	F476-V543 HydrophobicContact CD1-CG1 4.22Å; F476-V543 HydrophobicContact CD2-CG1 4.37Å; F476-V543 HydrophobicContact CE1-CG1 3.83Å; F476-V543 HydrophobicContact CE2-CG1 3.98Å; F476-V543 HydrophobicContact CG-CG1 4.48Å; F476-V543 HydrophobicContact CZ-CB 4.42Å; F476-V543 HydrophobicContact CZ-CG1 3.69Å; L484-V543 HydrophobicContact CD1-CG1 3.8Å; L502-V543 HydrophobicContact CD1-CG2 4.43Å; P506-V543 HydrophobicContact CB-CG1 3.76Å; P506-V543 HydrophobicContact CG-CG1 4.13Å; P506-V543 HydrophobicContact CG-CG2 4.32Å; Y538-V543 HydrophobicContact CD1-CG2 4.03Å; Y538-V543 HydrophobicContact CE1-CG2 3.69Å; Y538-V543 PolarHBondContact O-N 3.26Å; I539-V543 WeakPolarHBondContact O-CB 3.29Å; I539-V543 PolarHBondContact O-N 3.4Å
544	L	94	Very high	94.2	Very high	19 Å²	19	52.5 Å²	52.5	10%	0.099	27%	0.267	C	S	.	.	S	Bend	trans	-91	-14.5	-176.4	-62.3	176.6	0	0	0	113.3	F476 S486 P490 I539 L540 E546	F476-L544 HydrophobicContact CD1-CD2 3.8Å; F476-L544 HydrophobicContact CE1-CD2 3.82Å; F476-L544 HydrophobicContact CE1-CG 4.18Å; S486-L544 WeakPolarHBondContact OG-CD1 3.3Å; P490-L544 HydrophobicContact CB-CD1 3.81Å; I539-L544 HydrophobicContact CG2-CD1 3.95Å; I539-L544 HydrophobicContact CG2-CG 4.24Å; I539-L544 WeakPolarHBondContact O-CB 3.45Å; I539-L544 WeakPolarHBondContact O-CG 2.89Å; I539-L544 PolarHBondContact O-N 3.09Å; L540-L544 HydrophobicContact CD2-CD1 4.45Å; L540-L544 CarbonylContact O-C 3.53Å; L544-E546 HydrophobicContact CB-CG 4Å; L544-E546 PolarHBondContact O-N 3.01Å
545	L	93.2	Very high	94.2	Very high	123 Å²	123	47.9 Å²	47.9	64%	0.644	24%	0.242	S	C	*	.			trans	58.3	37	-177.6	-49.5	176.5	0	0	0	112.6	L540 E541	L540-L545 PolarHBondContact O-N 3.49Å; L540-L545 VanDerWaalsContact O-N 3.08Å; E541-L545 WeakPolarHBondContact O-CA 3.45Å
546	E	90.4	Very high	94.2	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.252	26%	0.255	S	S	.	.			trans	-103.6	145.9	179.1	-65.6	-168.4	149.3	0	0	111.6	P198 G199 L540 L544	P198-E546 WeakPolarHBondContact CB-OE2 3.42Å; G199-E546 PolarHBondContact N-OE1 2.93Å; L540-E546 PolarHBondContact O-N 3.04Å; L544-E546 HydrophobicContact CB-CG 4Å; L544-E546 PolarHBondContact O-N 3.01Å
547	S	90.3	Very high	94.2	Very high	76 Å²	76	51 Å²	51	53%	0.531	26%	0.261	S	S	.	.			trans	-74.7	134.2	175.1	-178.5	0	0	0	0	111.4	Q549	S547-Q549 VanDerWaalsContact C-N 3.28Å; S547-Q549 PolarHBondContact O-N 3.2Å; S547-Q549 WeakPolarHBondContact OG-CB 3.46Å; S547-Q549 PolarHBondContact OG-N 3.24Å
548	T	91.1	Very high	94.3	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.129	25%	0.25	C	C	.	.	S	Bend	trans	-82.2	-2.9	174	54.2	0	0	0	0	113.8	R537 L540 E541 S550 L551 T552 L555	R537-T548 HydrophobicContact CG-CG2 4.38Å; L540-T548 HydrophobicContact CB-CG2 3.9Å; L540-T548 HydrophobicContact CD1-CG2 4Å; E541-T548 HydrophobicContact CG-CG2 3.5Å; E541-T548 WeakPolarHBondContact OE1-CB 3.45Å; E541-T548 WeakPolarHBondContact OE1-CG2 3.41Å; E541-T548 PolarHBondContact OE1-OG1 2.8Å; T548-S550 VanDerWaalsContact C-N 3.31Å; T548-S550 PolarHBondContact O-N 3.3Å; T548-L551 CarbonylContact O-C 3.51Å; T548-L551 WeakPolarHBondContact O-CA 3.3Å; T548-L551 PolarHBondContact O-N 3.13Å; T548-T552 PolarHBondContact O-N 3Å; T548-T552 VanDerWaalsContact O-N 3.11Å; T548-T552 PolarHBondContact O-OG1 3.47Å; T548-L555 HydrophobicContact CG2-CD1 3.82Å
549	Q	91	Very high	94.3	Very high	161 Å²	161	48.9 Å²	48.9	75%	0.752	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-57.1	-43.4	-174.6	-173.2	-178.8	9.8	0	0	112.3	S547 L551 T552	S547-Q549 VanDerWaalsContact C-N 3.28Å; S547-Q549 PolarHBondContact O-N 3.2Å; S547-Q549 WeakPolarHBondContact OG-CB 3.46Å; S547-Q549 PolarHBondContact OG-N 3.24Å; Q549-L551 PolarHBondContact O-N 3.36Å; Q549-T552 PolarHBondContact O-OG1 3.44Å; Q549-T552 VanDerWaalsContact O-OG1 3.12Å
550	S	88.9	Confident	94.3	Very high	41 Å²	41	57.1 Å²	57.1	29%	0.287	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-76.7	-5.2	178	60.6	0	0	0	0	113.9	P198 T548 H553	P198-S550 WeakPolarHBondContact CD-OG 3.3Å; P198-S550 VanDerWaalsContact CG-OG 3.29Å; P198-S550 WeakPolarHBondContact CG-OG 3.35Å; T548-S550 VanDerWaalsContact C-N 3.31Å; T548-S550 PolarHBondContact O-N 3.3Å; S550-H553 PolarHBondContact O-CE1 3.08Å
551	L	93.6	Very high	94.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-117.3	10.4	-178.6	-65.8	174.4	0	0	0	112.4	P198 F491 L540 T548 Q549 H553 M554 L555	P198-L551 HydrophobicContact CG-CD1 4.11Å; P198-L551 HydrophobicContact CG-CG 4.3Å; F491-L551 HydrophobicContact CE1-CD1 4.17Å; F491-L551 HydrophobicContact CE1-CD2 4.31Å; F491-L551 HydrophobicContact CZ-CD2 4.21Å; L540-L551 HydrophobicContact CD1-CD1 3.64Å; L540-L551 HydrophobicContact CD2-CD1 4.04Å; T548-L551 CarbonylContact O-C 3.51Å; T548-L551 WeakPolarHBondContact O-CA 3.3Å; T548-L551 PolarHBondContact O-N 3.13Å; Q549-L551 PolarHBondContact O-N 3.36Å; L551-H553 VanDerWaalsContact C-N 3.28Å; L551-H553 PolarHBondContact O-N 3.28Å; L551-M554 HydrophobicContact CB-CE 4.4Å; L551-M554 HydrophobicContact CD2-CE 4.47Å; L551-M554 WeakPolarHBondContact O-CB 3.43Å; L551-M554 PolarHBondContact O-N 3.28Å; L551-L555 PolarHBondContact O-N 2.97Å
552	T	94.6	Very high	94.3	Very high	63 Å²	63	57 Å²	57	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-39.3	-177.2	-62.8	0	0	0	0	112.1	T548 Q549 M554 N556	T548-T552 PolarHBondContact O-N 3Å; T548-T552 VanDerWaalsContact O-N 3.11Å; T548-T552 PolarHBondContact O-OG1 3.47Å; Q549-T552 PolarHBondContact O-OG1 3.44Å; Q549-T552 VanDerWaalsContact O-OG1 3.12Å; T552-M554 VanDerWaalsContact C-N 3.28Å; T552-M554 PolarHBondContact O-N 3.34Å; T552-N556 VanDerWaalsContact O-CB 3.3Å; T552-N556 WeakPolarHBondContact O-CB 3.5Å; T552-N556 PolarHBondContact O-N 3.11Å; T552-N556 PolarHBondContact O-ND2 3.25Å; T552-N556 PolarHBondContact O-OD1 3.25Å
553	H	94.9	Very high	94.4	Very high	72 Å²	72	52 Å²	52	33%	0.333	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-36.5	176	58.1	-82.7	0	0	0	112.6	F194 Q223 S550 L551 A557	F194-H553 AromaticContact CZ-NE2 3.77Å; Q223-H553 PolarHBondContact OE1-CE1 3.17Å; Q223-H553 PolarHBondContact OE1-NE2 2.9Å; S550-H553 PolarHBondContact O-CE1 3.08Å; L551-H553 VanDerWaalsContact C-N 3.28Å; L551-H553 PolarHBondContact O-N 3.28Å; H553-A557 WeakPolarHBondContact O-CB 2.98Å; H553-A557 PolarHBondContact O-N 3.28Å; H553-A557 VanDerWaalsContact O-N 3.17Å
554	M	95.1	Very high	94.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-74.3	-48.2	-179.9	-172	-165	71.1	0	0	110.6	Q223 F491 Q536 L551 T552 N556 A557 L558	Q223-M554 HydrophobicContact CG-SD 4.37Å; F491-M554 HydrophobicContact CD1-CE 3.66Å; F491-M554 HydrophobicContact CD1-SD 3.65Å; F491-M554 HydrophobicContact CE1-CE 3.4Å; F491-M554 VanDerWaalsContact CE1-CE 3.4Å; F491-M554 HydrophobicContact CE1-SD 3.36Å; F491-M554 WeakPolarHBondContact CE1-SD 3.35Å; F491-M554 HydrophobicContact CZ-SD 4.07Å; Q536-M554 HydrophobicContact CG-CE 3.94Å; L551-M554 HydrophobicContact CB-CE 4.4Å; L551-M554 HydrophobicContact CD2-CE 4.47Å; L551-M554 WeakPolarHBondContact O-CB 3.43Å; L551-M554 PolarHBondContact O-N 3.28Å; T552-M554 VanDerWaalsContact C-N 3.28Å; T552-M554 PolarHBondContact O-N 3.34Å; M554-N556 VanDerWaalsContact C-N 3.35Å; M554-N556 PolarHBondContact O-N 3.48Å; M554-A557 WeakPolarHBondContact O-CB 3.46Å; M554-A557 PolarHBondContact O-N 3.02Å; M554-A557 VanDerWaalsContact O-N 3.11Å; M554-L558 WeakPolarHBondContact O-CG 3.35Å; M554-L558 PolarHBondContact O-N 3.14Å
555	L	96.7	Very high	94.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-44.8	177.7	-66.3	175.8	0	0	0	111.7	S533 Q536 T548 L551 A557 L558 D559	S533-L555 PolarHBondContact OG-O 3.33Å; Q536-L555 HydrophobicContact CB-CD2 3.88Å; Q536-L555 HydrophobicContact CG-CD2 3.61Å; T548-L555 HydrophobicContact CG2-CD1 3.82Å; L551-L555 PolarHBondContact O-N 2.97Å; L555-A557 VanDerWaalsContact C-N 3.28Å; L555-A557 PolarHBondContact O-N 3.36Å; L555-L558 WeakPolarHBondContact O-CB 3.38Å; L555-L558 PolarHBondContact O-N 3.27Å; L555-L558 VanDerWaalsContact O-N 3.13Å; L555-D559 PolarHBondContact O-N 3.44Å; L555-D559 VanDerWaalsContact O-N 3.08Å
556	N	97	Very high	95	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-39	175.4	-69.6	-9.9	0	0	0	111.7	T552 M554 L558 D559 F560	T552-N556 VanDerWaalsContact O-CB 3.3Å; T552-N556 WeakPolarHBondContact O-CB 3.5Å; T552-N556 PolarHBondContact O-N 3.11Å; T552-N556 PolarHBondContact O-ND2 3.25Å; T552-N556 PolarHBondContact O-OD1 3.25Å; M554-N556 VanDerWaalsContact C-N 3.35Å; M554-N556 PolarHBondContact O-N 3.48Å; N556-L558 VanDerWaalsContact C-N 3.34Å; N556-D559 PolarHBondContact O-N 3.47Å; N556-F560 HydrophobicContact CB-CE2 4.46Å; N556-F560 WeakPolarHBondContact O-CD2 3.37Å; N556-F560 WeakPolarHBondContact O-CE2 3.4Å; N556-F560 PolarHBondContact O-N 3.15Å
557	A	97.4	Very high	95.3	Very high	14 Å²	14	44.8 Å²	44.8	12%	0.116	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-38.1	176.3	0	0	0	0	0	112.1	L227 V230 H553 M554 L555 D559 F560	L227-A557 HydrophobicContact CD2-CB 3.25Å; V230-A557 HydrophobicContact CG1-CB 4.38Å; V230-A557 VanDerWaalsContact CG1-O 3.3Å; V230-A557 WeakPolarHBondContact CG1-O 3.39Å; V230-A557 HydrophobicContact CG2-CB 4.34Å; H553-A557 WeakPolarHBondContact O-CB 2.98Å; H553-A557 PolarHBondContact O-N 3.28Å; H553-A557 VanDerWaalsContact O-N 3.17Å; M554-A557 WeakPolarHBondContact O-CB 3.46Å; M554-A557 PolarHBondContact O-N 3.02Å; M554-A557 VanDerWaalsContact O-N 3.11Å; L555-A557 VanDerWaalsContact C-N 3.28Å; L555-A557 PolarHBondContact O-N 3.36Å; A557-D559 VanDerWaalsContact C-N 3.32Å; A557-D559 PolarHBondContact O-N 3.04Å; A557-F560 PolarHBondContact O-N 3.26Å
558	L	97.5	Very high	95.7	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-41.9	173.6	-62	-177.2	0	0	0	111.7	Q536 M554 L555 N556 F560 G561 A562	Q536-L558 HydrophobicContact CB-CD1 4.12Å; Q536-L558 HydrophobicContact CG-CD1 4.25Å; M554-L558 WeakPolarHBondContact O-CG 3.35Å; M554-L558 PolarHBondContact O-N 3.14Å; L555-L558 WeakPolarHBondContact O-CB 3.38Å; L555-L558 PolarHBondContact O-N 3.27Å; L555-L558 VanDerWaalsContact O-N 3.13Å; N556-L558 VanDerWaalsContact C-N 3.34Å; L558-F560 PolarHBondContact O-N 3.21Å; L558-G561 PolarHBondContact O-N 3Å; L558-G561 VanDerWaalsContact O-N 3.1Å; L558-A562 HydrophobicContact CB-CB 4.42Å; L558-A562 HydrophobicContact CD2-CB 3.49Å; L558-A562 VanDerWaalsContact CD2-CB 3.49Å; L558-A562 PolarHBondContact O-N 2.65Å
559	D	97.4	Very high	96.1	Very high	88 Å²	88	40.7 Å²	40.7	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-22	178.2	-76	-45.1	0	0	0	113.8	S533 R537 L555 N556 A557 G561	S533-D559 WeakPolarHBondContact CB-OD1 3.3Å; S533-D559 WeakPolarHBondContact CB-OD2 3.47Å; S533-D559 VanDerWaalsContact OG-CG 3.25Å; S533-D559 PolarHBondContact OG-OD1 2.88Å; S533-D559 PolarHBondContact OG-OD2 2.9Å; R537-D559 IonicContact NH2-OD2 3.79Å; L555-D559 PolarHBondContact O-N 3.44Å; L555-D559 VanDerWaalsContact O-N 3.08Å; N556-D559 PolarHBondContact O-N 3.47Å; A557-D559 VanDerWaalsContact C-N 3.32Å; A557-D559 PolarHBondContact O-N 3.04Å; D559-G561 PolarHBondContact O-N 3.07Å
560	F	96.6	Very high	96.4	Very high	176 Å²	176	33 Å²	33	77%	0.772	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	9.5	174.4	-68.4	-58.4	0	0	0	114.1	N556 A557 L558	N556-F560 HydrophobicContact CB-CE2 4.46Å; N556-F560 WeakPolarHBondContact O-CD2 3.37Å; N556-F560 WeakPolarHBondContact O-CE2 3.4Å; N556-F560 PolarHBondContact O-N 3.15Å; A557-F560 PolarHBondContact O-N 3.26Å; L558-F560 PolarHBondContact O-N 3.21Å
561	G	93.3	Very high	96.8	Very high	55 Å²	55	31.5 Å²	31.5	57%	0.567	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.1	63.2	174.1	0	0	0	0	0	113	L558 D559	L558-G561 PolarHBondContact O-N 3Å; L558-G561 VanDerWaalsContact O-N 3.1Å; D559-G561 PolarHBondContact O-N 3.07Å
562	A	97.1	Very high	97.1	Very high	12 Å²	12	31.5 Å²	31.5	10%	0.099	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-69.3	128.5	170.7	0	0	0	0	0	111.6	V230 H531 L558	V230-A562 HydrophobicContact CG2-CB 3.82Å; H531-A562 HydrophobicContact CB-CB 4.1Å; L558-A562 HydrophobicContact CB-CB 4.42Å; L558-A562 HydrophobicContact CD2-CB 3.49Å; L558-A562 VanDerWaalsContact CD2-CB 3.49Å; L558-A562 PolarHBondContact O-N 2.65Å
563	P	97.9	Very high	97.2	Very high	18 Å²	18	28.7 Å²	28.7	12%	0.117	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-68.7	154.9	170.8	30.7	-34.7	0	0	0	110.1	M229 S264 F265 H531 H565	M229-P563 HydrophobicContact CB-CG 4.25Å; S264-P563 WeakPolarHBondContact OG-CG 3.4Å; F265-P563 HydrophobicContact CD1-CB 4.23Å; F265-P563 HydrophobicContact CE1-CB 3.64Å; F265-P563 HydrophobicContact CE2-CB 4.09Å; F265-P563 HydrophobicContact CZ-CB 3.57Å; H531-P563 WeakPolarHBondContact CB-O 3.4Å; P563-H565 PolarHBondContact O-N 2.97Å; P563-H565 PolarHBondContact O-ND1 2.96Å
564	P	97.6	Very high	97.3	Very high	56 Å²	56	27.8 Å²	27.8	36%	0.364	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-55.1	132.1	163.5	-20.8	31.8	0	0	0	109.3	F265	F265-P564 WeakPolarHBondContact CA-O 3.21Å; F265-P564 PolarHBondContact N-O 3.1Å
565	H	98.1	Very high	97.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.1	-176	56.8	-100.9	0	0	0	111.7	Q226 M229 E262 L263 R529 P563	Q226-H565 WeakPolarHBondContact CG-NE2 3.37Å; M229-H565 HydrophobicContact CB-CB 4.23Å; M229-H565 HydrophobicContact CG-CB 3.81Å; M229-H565 HydrophobicContact SD-CB 4.39Å; E262-H565 IonicContact OE1-CD2 3.82Å; E262-H565 PolarHBondContact OE1-CD2 3.16Å; L263-H565 WeakPolarHBondContact O-CA 3.37Å; L263-H565 WeakPolarHBondContact O-CB 3.27Å; R529-H565 WeakPolarHBondContact CB-CD2 3.47Å; R529-H565 WeakPolarHBondContact CB-NE2 3.45Å; R529-H565 WeakPolarHBondContact CG-CD2 3.29Å; R529-H565 WeakPolarHBondContact CG-NE2 3.31Å; R529-H565 PolarHBondContact N-O 3.14Å; P563-H565 PolarHBondContact O-N 2.97Å; P563-H565 PolarHBondContact O-ND1 2.96Å
566	A	98.4	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.8	-177.9	0	0	0	0	0	110.4	E262 L263 V271 S527 V528	E262-A566 WeakPolarHBondContact CA-O 3.33Å; E262-A566 WeakPolarHBondContact OE1-CA 3.44Å; L263-A566 PolarHBondContact N-O 3.07Å; L263-A566 PolarHBondContact O-N 3.49Å; V271-A566 HydrophobicContact CG2-CB 3.59Å; S527-A566 WeakPolarHBondContact O-CA 3.33Å; V528-A566 HydrophobicContact CB-CB 4.38Å; V528-A566 HydrophobicContact CG2-CB 3.94Å
567	G	98	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	169.3	-178.7	0	0	0	0	0	114.4	L261 E262 Y514 G526 S527 R529	L261-G567 CarbonylContact O-C 3.51Å; L261-G567 WeakPolarHBondContact O-CA 3.2Å; E262-G567 PolarHBondContact OE1-N 3.21Å; E262-G567 VanDerWaalsContact OE1-N 3.14Å; E262-G567 WeakPolarHBondContact OE2-CA 3.14Å; Y514-G567 PolarHBondContact OH-O 3.38Å; G526-G567 CarbonylContact C-O 3.5Å; G526-G567 WeakPolarHBondContact CA-O 3.49Å; S527-G567 PolarHBondContact N-O 3.3Å; S527-G567 PolarHBondContact O-N 3.13Å; S527-G567 VanDerWaalsContact O-N 3.13Å; R529-G567 PolarHBondContact NH2-O 2.77Å
568	F	98.5	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.5	-171.3	-174.2	-101.5	0	0	0	110.5	L261 V271 V275 W469 Y514 L516 G524 G525 L570	L261-F568 HydrophobicContact CD1-CB 3.77Å; L261-F568 HydrophobicContact CD2-CB 4.21Å; L261-F568 HydrophobicContact CD2-CD1 4.4Å; L261-F568 HydrophobicContact CG-CB 3.91Å; L261-F568 PolarHBondContact N-O 2.83Å; L261-F568 PolarHBondContact O-N 2.9Å; V271-F568 HydrophobicContact CG1-CB 3.65Å; V271-F568 HydrophobicContact CG1-CG 4.49Å; V275-F568 HydrophobicContact CG1-CD1 4.31Å; V275-F568 HydrophobicContact CG1-CE1 3.99Å; V275-F568 HydrophobicContact CG1-CZ 4.5Å; V275-F568 HydrophobicContact CG2-CB 4.12Å; V275-F568 HydrophobicContact CG2-CD1 3.52Å; V275-F568 HydrophobicContact CG2-CE1 4.06Å; V275-F568 HydrophobicContact CG2-CG 3.85Å; W469-F568 HydrophobicContact CH2-CD2 4.18Å; W469-F568 AromaticContact CH2-CE2 3.78Å; W469-F568 HydrophobicContact CH2-CE2 3.78Å; W469-F568 HydrophobicContact CH2-CZ 4.05Å; W469-F568 HydrophobicContact CZ3-CD2 4.09Å; W469-F568 AromaticContact CZ3-CE2 3.55Å; W469-F568 HydrophobicContact CZ3-CE2 3.55Å; W469-F568 HydrophobicContact CZ3-CZ 4.13Å; Y514-F568 HydrophobicContact CD2-CD2 4.25Å; Y514-F568 HydrophobicContact CE2-CD2 4.05Å; L516-F568 HydrophobicContact CB-CE2 4.14Å; L516-F568 HydrophobicContact CB-CZ 3.69Å; L516-F568 HydrophobicContact CD2-CZ 4.41Å; G524-F568 VanDerWaalsContact C-CE2 3.43Å; G524-F568 VanDerWaalsContact C-CZ 3.44Å; G524-F568 WeakPolarHBondContact O-CE2 3.36Å; G525-F568 VanDerWaalsContact C-CD2 3.41Å; G525-F568 WeakPolarHBondContact O-CD2 3.38Å; F568-L570 HydrophobicContact CD1-CB 4.33Å; F568-L570 HydrophobicContact CE1-CB 3.83Å; F568-L570 HydrophobicContact CE1-CD1 4.15Å
569	A	98.2	Very high	97.4	Very high	11 Å²	11	25.3 Å²	25.3	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	104.5	173.3	0	0	0	0	0	110.1	V259 D260 G524 G525 G571	V259-A569 WeakPolarHBondContact O-CA 3.49Å; D260-A569 WeakPolarHBondContact OD1-CB 3.21Å; G524-A569 WeakPolarHBondContact CA-O 3.45Å; G525-A569 PolarHBondContact N-O 3.14Å; G525-A569 PolarHBondContact O-N 2.8Å; A569-G571 PolarHBondContact O-N 2.85Å
570	L	98.5	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.8	174.2	-175.8	68	0	0	0	109.3	M175 Q258 V259 M278 L523 F568 L572 Y575	M175-L570 HydrophobicContact CE-CD2 3.76Å; Q258-L570 CarbonylContact C-O 3.41Å; Q258-L570 WeakPolarHBondContact CA-O 3.29Å; V259-L570 HydrophobicContact CB-CB 4.17Å; V259-L570 PolarHBondContact N-O 2.75Å; V259-L570 PolarHBondContact O-N 3.02Å; M278-L570 HydrophobicContact CE-CD2 3.87Å; L523-L570 HydrophobicContact CB-CD1 3.91Å; F568-L570 HydrophobicContact CD1-CB 4.33Å; F568-L570 HydrophobicContact CE1-CB 3.83Å; F568-L570 HydrophobicContact CE1-CD1 4.15Å; L570-L572 VanDerWaalsContact C-N 3.32Å; L570-L572 PolarHBondContact O-N 2.87Å; L570-Y575 HydrophobicContact CD2-CD1 4.15Å; L570-Y575 HydrophobicContact CD2-CG 4.33Å
571	G	97.7	Very high	97.1	Very high	10 Å²	10	19.8 Å²	19.8	10%	0.103	12%	0.12	C	C	.	.			trans	-65.2	87	168.7	0	0	0	0	0	111.2	L523 A569 D573 R574 Y575	L523-G571 WeakPolarHBondContact O-CA 3.27Å; L523-G571 PolarHBondContact O-N 2.94Å; A569-G571 PolarHBondContact O-N 2.85Å; G571-D573 VanDerWaalsContact C-N 3.26Å; G571-D573 PolarHBondContact O-N 3.41Å; G571-R574 WeakPolarHBondContact O-CB 3.13Å; G571-R574 PolarHBondContact O-N 2.97Å; G571-Y575 PolarHBondContact O-N 2.98Å
572	L	98.4	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-54.8	-43.2	-175.1	179.4	63.7	0	0	0	111.6	V172 M175 I239 T257 V259 L570 R574 Y575 I576	V172-L572 HydrophobicContact CG2-CD1 3.95Å; V172-L572 HydrophobicContact CG2-CD2 3.48Å; V172-L572 VanDerWaalsContact CG2-CD2 3.48Å; V172-L572 HydrophobicContact CG2-CG 4.32Å; M175-L572 HydrophobicContact SD-CD1 4.22Å; I239-L572 HydrophobicContact CG2-CD2 4.34Å; T257-L572 HydrophobicContact CG2-CB 4.27Å; T257-L572 HydrophobicContact CG2-CD2 3.7Å; T257-L572 WeakPolarHBondContact O-CB 3.43Å; T257-L572 PolarHBondContact O-N 2.92Å; T257-L572 VanDerWaalsContact O-N 3.12Å; V259-L572 HydrophobicContact CG2-CB 4.22Å; V259-L572 HydrophobicContact CG2-CD1 4.27Å; L570-L572 VanDerWaalsContact C-N 3.32Å; L570-L572 PolarHBondContact O-N 2.87Å; L572-R574 VanDerWaalsContact C-N 3.35Å; L572-R574 PolarHBondContact O-N 3.35Å; L572-Y575 PolarHBondContact O-N 3.46Å; L572-I576 HydrophobicContact CD1-CD1 4.25Å; L572-I576 HydrophobicContact CD1-CG1 4.04Å; L572-I576 HydrophobicContact CG-CG1 4.36Å; L572-I576 VanDerWaalsContact O-CG1 3.32Å; L572-I576 WeakPolarHBondContact O-CG1 3.33Å; L572-I576 PolarHBondContact O-N 2.75Å
573	D	97.8	Very high	96.7	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-42.4	179.5	-62.3	-24.1	0	0	0	111.9	R168 F256 T257 G571 T577 I585 V588 I589	R168-D573 IonicContact CZ-OD1 3.57Å; R168-D573 IonicContact NH1-OD1 2.7Å; R168-D573 PolarHBondContact NH1-OD1 3.37Å; R168-D573 IonicContact NH2-OD1 3.59Å; R168-D573 PolarHBondContact NH2-OD1 3Å; F256-D573 WeakPolarHBondContact CA-OD2 3.49Å; F256-D573 VanDerWaalsContact CB-OD2 3.31Å; F256-D573 WeakPolarHBondContact CB-OD2 3.37Å; T257-D573 PolarHBondContact N-OD2 3.13Å; G571-D573 VanDerWaalsContact C-N 3.26Å; G571-D573 PolarHBondContact O-N 3.41Å; D573-T577 WeakPolarHBondContact O-CB 3.49Å; D573-T577 PolarHBondContact O-N 3.29Å; D573-T577 PolarHBondContact O-OG1 3.4Å; D573-I585 HydrophobicContact CB-CD1 3.63Å; D573-I585 HydrophobicContact CB-CG1 3.72Å; D573-V588 WeakPolarHBondContact O-CG2 3.39Å; D573-I589 HydrophobicContact CB-CD1 4.31Å
574	R	96.3	Very high	96.4	Very high	53 Å²	53	22.3 Å²	22.3	20%	0.2	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-43.6	175.2	-68	-174.3	-171.9	159.8	6.3	111.2	E522 L523 G571 L572 I576 T577 L578 I585	E522-R574 WeakPolarHBondContact O-CD 3.46Å; E522-R574 PolarHBondContact O-NH1 3.25Å; E522-R574 IonicContact OE1-NH1 2.9Å; L523-R574 HydrophobicContact CD2-CB 4.42Å; G571-R574 WeakPolarHBondContact O-CB 3.13Å; G571-R574 PolarHBondContact O-N 2.97Å; L572-R574 VanDerWaalsContact C-N 3.35Å; L572-R574 PolarHBondContact O-N 3.35Å; R574-I576 PolarHBondContact O-N 3Å; R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.34Å; R574-L578 PolarHBondContact O-N 3.21Å; R574-I585 HydrophobicContact CG-CD1 4.06Å
575	Y	97.9	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-47.4	178	179.7	-126.1	0	0	0	112.1	V171 M175 F467 L523 L570 G571 L572 T577 L578 L579	V171-Y575 HydrophobicContact CG1-CD1 4.43Å; V171-Y575 HydrophobicContact CG1-CE1 3.9Å; M175-Y575 HydrophobicContact CE-CD1 3.77Å; M175-Y575 HydrophobicContact CE-CE1 3.46Å; M175-Y575 VanDerWaalsContact CE-CE1 3.46Å; F467-Y575 HydrophobicContact CZ-CE2 4.24Å; L523-Y575 HydrophobicContact CD1-CD2 4.07Å; L570-Y575 HydrophobicContact CD2-CD1 4.15Å; L570-Y575 HydrophobicContact CD2-CG 4.33Å; G571-Y575 PolarHBondContact O-N 2.98Å; L572-Y575 PolarHBondContact O-N 3.46Å; Y575-T577 VanDerWaalsContact C-N 3.33Å; Y575-T577 PolarHBondContact O-N 2.8Å; Y575-L578 PolarHBondContact O-N 3.13Å; Y575-L579 HydrophobicContact CD1-CD1 4.07Å; Y575-L579 HydrophobicContact CD2-CD1 4.38Å; Y575-L579 HydrophobicContact CD2-CG 4.29Å; Y575-L579 HydrophobicContact CE1-CD1 3.58Å; Y575-L579 HydrophobicContact CE1-CG 4.46Å; Y575-L579 HydrophobicContact CE2-CD1 3.91Å; Y575-L579 HydrophobicContact CE2-CD2 4.15Å; Y575-L579 HydrophobicContact CE2-CG 3.91Å; Y575-L579 HydrophobicContact CG-CD1 4.45Å; Y575-L579 WeakPolarHBondContact O-CG 3.16Å; Y575-L579 PolarHBondContact O-N 3.25Å
576	I	98	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-36.3	175.9	-58.5	-56.8	0	0	0	111.4	R168 V171 L572 R574 L578 L579 T580 V588	R168-I576 HydrophobicContact CB-CD1 4.47Å; R168-I576 HydrophobicContact CB-CG1 4.24Å; R168-I576 HydrophobicContact CB-CG2 4.12Å; R168-I576 HydrophobicContact CG-CG1 4.15Å; V171-I576 HydrophobicContact CB-CD1 3.92Å; V171-I576 HydrophobicContact CG1-CD1 3.9Å; V171-I576 HydrophobicContact CG2-CD1 4.12Å; L572-I576 HydrophobicContact CD1-CD1 4.25Å; L572-I576 HydrophobicContact CD1-CG1 4.04Å; L572-I576 HydrophobicContact CG-CG1 4.36Å; L572-I576 VanDerWaalsContact O-CG1 3.32Å; L572-I576 WeakPolarHBondContact O-CG1 3.33Å; L572-I576 PolarHBondContact O-N 2.75Å; R574-I576 PolarHBondContact O-N 3Å; I576-L578 VanDerWaalsContact C-N 3.31Å; I576-L578 PolarHBondContact O-N 3.04Å; I576-L579 HydrophobicContact CD1-CD1 4.24Å; I576-L579 PolarHBondContact O-N 2.82Å; I576-T580 HydrophobicContact CG2-CG2 4.04Å; I576-T580 WeakPolarHBondContact O-CB 3.42Å; I576-T580 VanDerWaalsContact O-CG2 3.3Å; I576-T580 WeakPolarHBondContact O-CG2 3.41Å; I576-T580 PolarHBondContact O-N 2.85Å; I576-T580 PolarHBondContact O-OG1 3.04Å; I576-V588 HydrophobicContact CB-CB 4.26Å; I576-V588 HydrophobicContact CB-CG1 4.37Å; I576-V588 HydrophobicContact CB-CG2 4.35Å; I576-V588 HydrophobicContact CG2-CB 3.75Å; I576-V588 HydrophobicContact CG2-CG1 3.69Å; I576-V588 HydrophobicContact CG2-CG2 4.39Å
577	T	97.2	Very high	95.9	Very high	20 Å²	20	20.2 Å²	20.2	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-44.6	175.1	-58.7	0	0	0	0	110.9	D573 R574 Y575 T580 K581 S582 I585 V588	D573-T577 WeakPolarHBondContact O-CB 3.49Å; D573-T577 PolarHBondContact O-N 3.29Å; D573-T577 PolarHBondContact O-OG1 3.4Å; R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.34Å; Y575-T577 VanDerWaalsContact C-N 3.33Å; Y575-T577 PolarHBondContact O-N 2.8Å; T577-T580 PolarHBondContact O-N 3.5Å; T577-T580 PolarHBondContact O-OG1 3.32Å; T577-K581 PolarHBondContact O-N 2.8Å; T577-K581 VanDerWaalsContact O-N 3.14Å; T577-S582 VanDerWaalsContact CG2-O 3.3Å; T577-S582 WeakPolarHBondContact CG2-O 3.32Å; T577-S582 PolarHBondContact O-N 3.33Å; T577-I585 WeakPolarHBondContact OG1-CA 3.48Å; T577-V588 VanDerWaalsContact OG1-CG2 3.27Å; T577-V588 WeakPolarHBondContact OG1-CG2 3.43Å
578	L	95.7	Very high	95.9	Very high	28 Å²	28	20.2 Å²	20.2	15%	0.147	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-48.8	176.6	-169.6	73	0	0	0	111.6	F465 A518 N519 V521 L523 R574 Y575 I576 T580 K581	F465-L578 HydrophobicContact CD1-CD2 3.93Å; F465-L578 HydrophobicContact CD1-CG 4.32Å; F465-L578 HydrophobicContact CE1-CD2 3.77Å; F465-L578 HydrophobicContact CE1-CG 3.71Å; A518-L578 HydrophobicContact CB-CD2 3.68Å; N519-L578 HydrophobicContact CB-CD1 4.22Å; V521-L578 HydrophobicContact CG2-CD1 4.39Å; L523-L578 HydrophobicContact CD1-CD2 4.35Å; L523-L578 HydrophobicContact CD2-CD2 4.11Å; R574-L578 PolarHBondContact O-N 3.21Å; Y575-L578 PolarHBondContact O-N 3.13Å; I576-L578 VanDerWaalsContact C-N 3.31Å; I576-L578 PolarHBondContact O-N 3.04Å; L578-T580 VanDerWaalsContact C-N 3.28Å; L578-T580 PolarHBondContact O-N 2.83Å; L578-K581 PolarHBondContact O-N 2.96Å; L578-K581 VanDerWaalsContact O-N 3.09Å
579	L	96.5	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-34.9	177.6	-73.2	177.4	0	0	0	112.9	L167 V171 W283 P284 L287 H288 F465 Y575 I576 K581	L167-L579 HydrophobicContact CD2-CB 4.48Å; V171-L579 HydrophobicContact CG2-CD1 4.3Å; W283-L579 HydrophobicContact CE3-CD2 4.4Å; W283-L579 HydrophobicContact CH2-CD2 3.81Å; W283-L579 HydrophobicContact CZ2-CD2 4.19Å; W283-L579 HydrophobicContact CZ3-CD2 3.93Å; P284-L579 HydrophobicContact CG-CD1 4.12Å; P284-L579 HydrophobicContact CG-CD2 4.06Å; L287-L579 WeakPolarHBondContact CD2-O 3.16Å; H288-L579 PolarHBondContact CD2-O 3.09Å; H288-L579 PolarHBondContact NE2-O 3Å; F465-L579 HydrophobicContact CE1-CD2 4.15Å; F465-L579 HydrophobicContact CZ-CD2 4.18Å; Y575-L579 HydrophobicContact CD1-CD1 4.07Å; Y575-L579 HydrophobicContact CD2-CD1 4.38Å; Y575-L579 HydrophobicContact CD2-CG 4.29Å; Y575-L579 HydrophobicContact CE1-CD1 3.58Å; Y575-L579 HydrophobicContact CE1-CG 4.46Å; Y575-L579 HydrophobicContact CE2-CD1 3.91Å; Y575-L579 HydrophobicContact CE2-CD2 4.15Å; Y575-L579 HydrophobicContact CE2-CG 3.91Å; Y575-L579 HydrophobicContact CG-CD1 4.45Å; Y575-L579 WeakPolarHBondContact O-CG 3.16Å; Y575-L579 PolarHBondContact O-N 3.25Å; I576-L579 HydrophobicContact CD1-CD1 4.24Å; I576-L579 PolarHBondContact O-N 2.82Å; L579-K581 VanDerWaalsContact C-N 3.31Å
580	T	95.6	Very high	95.7	Very high	27 Å²	27	22.4 Å²	22.4	17%	0.166	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.1	179.2	55.6	0	0	0	0	113.2	N164 L167 I576 T577 L578 S582 V588	N164-T580 HydrophobicContact CB-CG2 4.21Å; N164-T580 WeakPolarHBondContact OD1-CB 3.31Å; N164-T580 WeakPolarHBondContact OD1-CG2 3.39Å; L167-T580 HydrophobicContact CD2-CG2 3.51Å; I576-T580 HydrophobicContact CG2-CG2 4.04Å; I576-T580 WeakPolarHBondContact O-CB 3.42Å; I576-T580 VanDerWaalsContact O-CG2 3.3Å; I576-T580 WeakPolarHBondContact O-CG2 3.41Å; I576-T580 PolarHBondContact O-N 2.85Å; I576-T580 PolarHBondContact O-OG1 3.04Å; T577-T580 PolarHBondContact O-N 3.5Å; T577-T580 PolarHBondContact O-OG1 3.32Å; L578-T580 VanDerWaalsContact C-N 3.28Å; L578-T580 PolarHBondContact O-N 2.83Å; T580-S582 WeakPolarHBondContact CB-OG 3.24Å; T580-S582 PolarHBondContact O-N 2.97Å; T580-S582 VanDerWaalsContact O-N 3.15Å; T580-S582 WeakPolarHBondContact OG1-CB 3.29Å; T580-S582 PolarHBondContact OG1-OG 3.49Å; T580-V588 HydrophobicContact CG2-CG1 4.4Å
581	K	92.4	Very high	95.6	Very high	121 Å²	121	27.4 Å²	27.4	53%	0.526	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	35.9	-170.4	-61.9	-178.5	172.3	-179.1	0	111.4	D463 T577 L578 L579	D463-K581 IonicContact OD1-NZ 3.26Å; D463-K581 PolarHBondContact OD1-NZ 2.85Å; D463-K581 IonicContact OD2-NZ 3.05Å; T577-K581 PolarHBondContact O-N 2.8Å; T577-K581 VanDerWaalsContact O-N 3.14Å; L578-K581 PolarHBondContact O-N 2.96Å; L578-K581 VanDerWaalsContact O-N 3.09Å; L579-K581 VanDerWaalsContact C-N 3.31Å
582	S	92.9	Very high	95.5	Very high	17 Å²	17	27.2 Å²	27.2	12%	0.119	15%	0.148	C	C	.	.			trans	-77.3	137.7	-179.1	-70.6	0	0	0	0	110.3	N164 T577 T580 S584	N164-S582 PolarHBondContact ND2-OG 3.41Å; N164-S582 VanDerWaalsContact ND2-OG 3.14Å; T577-S582 VanDerWaalsContact CG2-O 3.3Å; T577-S582 WeakPolarHBondContact CG2-O 3.32Å; T577-S582 PolarHBondContact O-N 3.33Å; T580-S582 WeakPolarHBondContact CB-OG 3.24Å; T580-S582 PolarHBondContact O-N 2.97Å; T580-S582 VanDerWaalsContact O-N 3.15Å; T580-S582 WeakPolarHBondContact OG1-CB 3.29Å; T580-S582 PolarHBondContact OG1-OG 3.49Å; S582-S584 VanDerWaalsContact C-N 3.26Å; S582-S584 PolarHBondContact O-N 3.1Å
583	S	88.5	Confident	95.2	Very high	107 Å²	107	29.3 Å²	29.3	75%	0.748	16%	0.157	S	C	*	.	S	Bend	trans	-76.3	-11.9	179.3	59.7	0	0	0	0	114.4
584	S	92.3	Very high	94.9	Very high	14 Å²	14	29.9 Å²	29.9	10%	0.098	16%	0.161	C	C	.	.	S	Bend	trans	-145.1	137.2	-179.6	179.9	0	0	0	0	109.7	S250 S582 R586 D587	S250-S584 WeakPolarHBondContact O-CA 3.27Å; S582-S584 VanDerWaalsContact C-N 3.26Å; S582-S584 PolarHBondContact O-N 3.1Å; S584-R586 PolarHBondContact O-N 2.9Å; S584-R586 VanDerWaalsContact O-N 3.08Å; S584-R586 WeakPolarHBondContact OG-CB 3.15Å; S584-R586 PolarHBondContact OG-N 3.18Å; S584-D587 WeakPolarHBondContact O-CB 3.39Å; S584-D587 PolarHBondContact O-N 2.71Å
585	I	94.5	Very high	94.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.6	174.5	-162.3	166.3	0	0	0	112.5	S250 D251 Q253 D573 R574 T577 D587 V588 I589	S250-I585 VanDerWaalsContact O-CG2 3.3Å; S250-I585 WeakPolarHBondContact O-CG2 3.25Å; S250-I585 PolarHBondContact O-N 2.88Å; D251-I585 WeakPolarHBondContact O-CD1 2.94Å; Q253-I585 HydrophobicContact CG-CG2 3.71Å; D573-I585 HydrophobicContact CB-CD1 3.63Å; D573-I585 HydrophobicContact CB-CG1 3.72Å; R574-I585 HydrophobicContact CG-CD1 4.06Å; T577-I585 WeakPolarHBondContact OG1-CA 3.48Å; I585-D587 PolarHBondContact O-N 3.13Å; I585-V588 HydrophobicContact CG1-CG2 4.45Å; I585-V588 WeakPolarHBondContact O-CG2 3.47Å; I585-V588 PolarHBondContact O-N 2.78Å; I585-I589 HydrophobicContact CG1-CD1 4.23Å
586	R	94.5	Very high	93.9	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.023	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.5	-19.2	176.5	-59.8	-178.1	178	76	-5.8	112.9	E145 R152 S248 K249 S584 V588 P592 K593 S594	E145-R586 WeakPolarHBondContact OE1-CD 3.43Å; E145-R586 IonicContact OE1-NE 3Å; R152-R586 PolarHBondContact NH2-O 2.83Å; S248-R586 PolarHBondContact O-NH2 3.3Å; S248-R586 PolarHBondContact OG-NH2 3.34Å; K249-R586 PolarHBondContact O-NH1 3.43Å; K249-R586 PolarHBondContact O-NH2 3.01Å; S584-R586 PolarHBondContact O-N 2.9Å; S584-R586 VanDerWaalsContact O-N 3.08Å; S584-R586 WeakPolarHBondContact OG-CB 3.15Å; S584-R586 PolarHBondContact OG-N 3.18Å; R586-V588 PolarHBondContact O-N 3.42Å; R586-P592 HydrophobicContact CB-CB 3.91Å; R586-P592 HydrophobicContact CB-CG 3.63Å; R586-P592 HydrophobicContact CG-CB 3.76Å; R586-P592 HydrophobicContact CG-CG 3.97Å; R586-K593 PolarHBondContact NE-O 2.97Å; R586-S594 PolarHBondContact NH2-O 3.34Å
587	D	95	Very high	93.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.011	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-80.1	-7	178.6	-79.2	9	0	0	0	113	R148 R160 L161 N164 S584 I585	R148-D587 IonicContact CZ-OD1 3.83Å; R148-D587 IonicContact NH2-OD1 2.75Å; R148-D587 PolarHBondContact NH2-OD1 3Å; R148-D587 IonicContact NH2-OD2 2.85Å; R160-D587 IonicContact CZ-OD2 3.21Å; R160-D587 IonicContact NE-OD2 3.52Å; R160-D587 PolarHBondContact NE-OD2 3.4Å; R160-D587 IonicContact NH2-OD2 3.33Å; R160-D587 PolarHBondContact NH2-OD2 3.02Å; L161-D587 HydrophobicContact CD2-CB 3.78Å; L161-D587 WeakPolarHBondContact CD2-O 3.36Å; N164-D587 WeakPolarHBondContact CB-O 3.45Å; N164-D587 PolarHBondContact ND2-O 2.91Å; S584-D587 WeakPolarHBondContact O-CB 3.39Å; S584-D587 PolarHBondContact O-N 2.71Å; I585-D587 PolarHBondContact O-N 3.13Å
588	V	97	Very high	93.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-117.8	5.7	179	-53.1	0	0	0	0	113.4	N164 R168 D573 I576 T577 T580 I585 R586	N164-V588 HydrophobicContact CB-CG1 4.3Å; R168-V588 PolarHBondContact NH1-O 3.01Å; R168-V588 VanDerWaalsContact NH1-O 3.08Å; D573-V588 WeakPolarHBondContact O-CG2 3.39Å; I576-V588 HydrophobicContact CB-CB 4.26Å; I576-V588 HydrophobicContact CB-CG1 4.37Å; I576-V588 HydrophobicContact CB-CG2 4.35Å; I576-V588 HydrophobicContact CG2-CB 3.75Å; I576-V588 HydrophobicContact CG2-CG1 3.69Å; I576-V588 HydrophobicContact CG2-CG2 4.39Å; T577-V588 VanDerWaalsContact OG1-CG2 3.27Å; T577-V588 WeakPolarHBondContact OG1-CG2 3.43Å; T580-V588 HydrophobicContact CG2-CG1 4.4Å; I585-V588 HydrophobicContact CG1-CG2 4.45Å; I585-V588 WeakPolarHBondContact O-CG2 3.47Å; I585-V588 PolarHBondContact O-N 2.78Å; R586-V588 PolarHBondContact O-N 3.42Å
589	I	96.7	Very high	93	Very high	24 Å²	24	44.1 Å²	44.1	12%	0.123	23%	0.234	C	C	.	.	S	Bend	trans	-117.9	135.2	178	-64.5	168.4	0	0	0	108.4	R152 Q253 D573 I585 P592	R152-I589 PolarHBondContact NH2-O 3.05Å; Q253-I589 HydrophobicContact CB-CD1 4.46Å; Q253-I589 HydrophobicContact CG-CD1 3.67Å; D573-I589 HydrophobicContact CB-CD1 4.31Å; I585-I589 HydrophobicContact CG1-CD1 4.23Å; I589-P592 HydrophobicContact CB-CB 4.19Å; I589-P592 HydrophobicContact CG2-CB 3.99Å
590	A	96.3	Very high	92.9	Very high	34 Å²	34	46.5 Å²	46.5	28%	0.281	25%	0.249	S	C	.	.	S	Bend	trans	-63.9	-49.4	-175.4	0	0	0	0	0	112.5	R152 L165	R152-A590 VanDerWaalsContact CG-O 3.25Å; R152-A590 WeakPolarHBondContact CG-O 3.4Å; R152-A590 PolarHBondContact NE-O 3.42Å; L165-A590 HydrophobicContact CD1-CB 4.39Å
591	F	96.1	Very high	92.8	Very high	105 Å²	105	48.1 Å²	48.1	46%	0.461	26%	0.256	S	S	.	.	S	Bend	trans	-132	73.8	-176.8	-57.3	-75.6	0	0	0	111.3	R152 L156 M601	R152-F591 HydrophobicContact CB-CD1 4.35Å; R152-F591 HydrophobicContact CG-CD1 3.9Å; R152-F591 HydrophobicContact CG-CE1 4.3Å; L156-F591 HydrophobicContact CD1-CE1 4.02Å; L156-F591 HydrophobicContact CD1-CZ 4Å; F591-M601 HydrophobicContact CD1-CE 3.81Å; F591-M601 HydrophobicContact CD1-SD 3.99Å; F591-M601 HydrophobicContact CE1-CE 4.22Å; F591-M601 HydrophobicContact CE1-SD 4.08Å
592	P	95.1	Very high	93	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.039	26%	0.257	C	S	.	.			trans	-78	163.3	-178	31.7	-32.5	0	0	0	112.3	L149 Q253 R586 I589	L149-P592 HydrophobicContact CD2-CG 3.82Å; Q253-P592 VanDerWaalsContact OE1-CB 3.31Å; R586-P592 HydrophobicContact CB-CB 3.91Å; R586-P592 HydrophobicContact CB-CG 3.63Å; R586-P592 HydrophobicContact CG-CB 3.76Å; R586-P592 HydrophobicContact CG-CG 3.97Å; I589-P592 HydrophobicContact CB-CB 4.19Å; I589-P592 HydrophobicContact CG2-CB 3.99Å
593	K	93.3	Very high	93	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.191	28%	0.275	C	S	.	.			trans	-84.9	155.3	171.9	-55.1	-56.4	-176.1	-71.8	0	111	Q253 P254 E255 R586 K598 D599	Q253-K593 PolarHBondContact OE1-O 3.35Å; P254-K593 HydrophobicContact CG-CB 3.9Å; P254-K593 HydrophobicContact CG-CG 3.75Å; E255-K593 IonicContact OE2-NZ 3.95Å; E255-K593 PolarHBondContact OE2-NZ 3.35Å; R586-K593 PolarHBondContact NE-O 2.97Å; K593-K598 CarbonylContact C-O 3.55Å; K593-K598 WeakPolarHBondContact CA-O 3.33Å; K593-D599 HydrophobicContact CD-CB 4Å
594	S	91.5	Very high	93.2	Very high	15 Å²	15	43.7 Å²	43.7	11%	0.105	25%	0.247	C	C	.	.			trans	-66.9	176.2	173	64.8	0	0	0	0	112	S248 R586 E596 G597 K598	S248-S594 WeakPolarHBondContact CB-O 3.33Å; S248-S594 PolarHBondContact OG-O 2.75Å; R586-S594 PolarHBondContact NH2-O 3.34Å; S594-E596 PolarHBondContact O-N 3.23Å; S594-G597 PolarHBondContact O-N 3.34Å; S594-K598 WeakPolarHBondContact CB-O 3.5Å; S594-K598 PolarHBondContact N-O 3.45Å; S594-K598 PolarHBondContact OG-N 3.4Å; S594-K598 PolarHBondContact OG-O 3.34Å
595	H	86.6	Confident	93.1	Very high	129 Å²	129	48.2 Å²	48.2	60%	0.597	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.7	176	-177.5	-83.2	0	0	0	112.7	S248 G597	S248-H595 WeakPolarHBondContact CB-O 3.18Å; S248-H595 PolarHBondContact N-O 3.47Å; S248-H595 VanDerWaalsContact O-CA 3.31Å; S248-H595 WeakPolarHBondContact O-CA 3.15Å; S248-H595 PolarHBondContact O-CD2 3.29Å; H595-G597 PolarHBondContact O-N 3.26Å
596	E	85.4	Confident	93	Very high	134 Å²	134	52.8 Å²	52.8	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	5.7	177.1	-60.3	177.5	-165.6	0	0	113.6	S594 K598	S594-E596 PolarHBondContact O-N 3.23Å; E596-K598 HydrophobicContact CB-CD 4.32Å; E596-K598 HydrophobicContact CB-CG 4.15Å; E596-K598 PolarHBondContact O-N 3.1Å; E596-K598 WeakPolarHBondContact OE2-CD 3.28Å; E596-K598 WeakPolarHBondContact OE2-CE 2.98Å; E596-K598 IonicContact OE2-NZ 3.16Å; E596-K598 PolarHBondContact OE2-NZ 3.33Å
597	G	88.5	Confident	92.9	Very high	27 Å²	27	61.8 Å²	61.8	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	73.7	2.6	-175.2	0	0	0	0	0	114.6	S594 H595	S594-G597 PolarHBondContact O-N 3.34Å; H595-G597 PolarHBondContact O-N 3.26Å
598	K	91.1	Very high	92.7	Very high	85 Å²	85	65.5 Å²	65.5	37%	0.37	37%	0.369	S	S	.	.			trans	-86.4	161.2	179.1	-58.8	-178.7	-175.6	154.5	0	112.6	K593 S594 E596 P600 G604	K593-K598 CarbonylContact C-O 3.55Å; K593-K598 WeakPolarHBondContact CA-O 3.33Å; S594-K598 WeakPolarHBondContact CB-O 3.5Å; S594-K598 PolarHBondContact N-O 3.45Å; S594-K598 PolarHBondContact OG-N 3.4Å; S594-K598 PolarHBondContact OG-O 3.34Å; E596-K598 HydrophobicContact CB-CD 4.32Å; E596-K598 HydrophobicContact CB-CG 4.15Å; E596-K598 PolarHBondContact O-N 3.1Å; E596-K598 WeakPolarHBondContact OE2-CD 3.28Å; E596-K598 WeakPolarHBondContact OE2-CE 2.98Å; E596-K598 IonicContact OE2-NZ 3.16Å; E596-K598 PolarHBondContact OE2-NZ 3.33Å; K598-P600 WeakPolarHBondContact O-CD 3.46Å; K598-G604 CarbonylContact C-O 3.52Å; K598-G604 WeakPolarHBondContact CA-O 3.39Å; K598-G604 WeakPolarHBondContact CB-O 3.41Å
599	D	93.4	Very high	92.6	Very high	26 Å²	26	68.7 Å²	68.7	14%	0.139	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-104.7	100.6	171.4	-179.9	-0.6	0	0	0	110.9	K593 M601 T602 G603 G604	K593-D599 HydrophobicContact CD-CB 4Å; D599-M601 PolarHBondContact O-N 2.95Å; D599-M601 VanDerWaalsContact OD1-CB 3.25Å; D599-M601 WeakPolarHBondContact OD1-CB 3.13Å; D599-M601 PolarHBondContact OD1-N 3.1Å; D599-T602 WeakPolarHBondContact CB-OG1 3.4Å; D599-T602 PolarHBondContact O-N 2.66Å; D599-T602 PolarHBondContact OD1-N 2.69Å; D599-T602 WeakPolarHBondContact OD2-CB 3.39Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.35Å; D599-T602 PolarHBondContact OD2-OG1 3.17Å; D599-G603 CarbonylContact O-C 3.42Å; D599-G603 VanDerWaalsContact O-CA 3.27Å; D599-G603 WeakPolarHBondContact O-CA 3.02Å; D599-G603 PolarHBondContact O-N 3.18Å; D599-G604 PolarHBondContact N-O 2.91Å; D599-G604 PolarHBondContact O-N 3.13Å
600	P	93.3	Very high	92.4	Very high	49 Å²	49	73.7 Å²	73.7	32%	0.318	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.8	178.7	-21.6	34.9	0	0	0	114.7	L149 R150 K598	L149-P600 HydrophobicContact CB-CB 4.23Å; L149-P600 HydrophobicContact CB-CG 3.86Å; L149-P600 HydrophobicContact CD1-CG 4.3Å; R150-P600 HydrophobicContact CB-CB 4.38Å; K598-P600 WeakPolarHBondContact O-CD 3.46Å
601	M	95.4	Very high	92.3	Very high	62 Å²	62	78 Å²	78	31%	0.305	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-45.7	-179.8	-176.7	-175.8	66.5	0	0	110.8	R152 Y153 F591 D599	R152-M601 HydrophobicContact CB-SD 4.27Å; Y153-M601 HydrophobicContact CD1-CG 4.17Å; Y153-M601 HydrophobicContact CD1-SD 3.87Å; Y153-M601 HydrophobicContact CE1-CG 4.28Å; F591-M601 HydrophobicContact CD1-CE 3.81Å; F591-M601 HydrophobicContact CD1-SD 3.99Å; F591-M601 HydrophobicContact CE1-CE 4.22Å; F591-M601 HydrophobicContact CE1-SD 4.08Å; D599-M601 PolarHBondContact O-N 2.95Å; D599-M601 VanDerWaalsContact OD1-CB 3.25Å; D599-M601 WeakPolarHBondContact OD1-CB 3.13Å; D599-M601 PolarHBondContact OD1-N 3.1Å
602	T	95	Very high	92.2	Very high	88 Å²	88	75.5 Å²	75.5	54%	0.54	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-16.4	-179	62.5	0	0	0	0	113.1	D599 G604	D599-T602 WeakPolarHBondContact CB-OG1 3.4Å; D599-T602 PolarHBondContact O-N 2.66Å; D599-T602 PolarHBondContact OD1-N 2.69Å; D599-T602 WeakPolarHBondContact OD2-CB 3.39Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.35Å; D599-T602 PolarHBondContact OD2-OG1 3.17Å; T602-G604 VanDerWaalsContact C-N 3.3Å; T602-G604 PolarHBondContact OG1-N 3.49Å
603	G	93.6	Very high	92.2	Very high	49 Å²	49	76.8 Å²	76.8	51%	0.505	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	8.5	-169.5	0	0	0	0	0	113.6	D599 P605	D599-G603 CarbonylContact O-C 3.42Å; D599-G603 VanDerWaalsContact O-CA 3.27Å; D599-G603 WeakPolarHBondContact O-CA 3.02Å; D599-G603 PolarHBondContact O-N 3.18Å; G603-P605 VanDerWaalsContact O-O 3.06Å
604	G	91.8	Very high	92.2	Very high	15 Å²	15	81.8 Å²	81.8	16%	0.155	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-66.9	145.3	-178.8	0	0	0	0	0	113.7	K598 D599 T602	K598-G604 CarbonylContact C-O 3.52Å; K598-G604 WeakPolarHBondContact CA-O 3.39Å; K598-G604 WeakPolarHBondContact CB-O 3.41Å; D599-G604 PolarHBondContact N-O 2.91Å; D599-G604 PolarHBondContact O-N 3.13Å; T602-G604 VanDerWaalsContact C-N 3.3Å; T602-G604 PolarHBondContact OG1-N 3.49Å
605	P	91.6	Very high	92.4	Very high	108 Å²	108	88.5 Å²	88.5	70%	0.701	48%	0.483	S	S	*	.	S	Bend	cis	-69.2	148.6	-3.1	31	-35.3	0	0	0	112.2	G603	G603-P605 VanDerWaalsContact O-O 3.06Å
606	T	92.9	Very high	92.8	Very high	101 Å²	101	86 Å²	86	62%	0.62	47%	0.469	S	S	*	.			trans	-111.6	155.6	-178.9	58.9	0	0	0	0	111.4
607	E	91.4	Very high	93.1	Very high	195 Å²	195	83 Å²	83	91%	0.911	46%	0.463	S	S	*	.			trans	-62.9	150.4	166.6	-66.1	176.8	-177.1	0	0	110.7
608	V	91.6	Very high	93.3	Very high	80 Å²	80	84.5 Å²	84.5	49%	0.485	46%	0.463	S	S	.	.			trans	-120.5	154.6	174.1	-64.5	0	0	0	0	109	V612 L613	V608-V612 HydrophobicContact CB-CB 4.26Å; V608-V612 HydrophobicContact CB-CG1 4.14Å; V608-V612 HydrophobicContact CG2-CG1 4.32Å; V608-L613 HydrophobicContact CG2-CD2 3.64Å; V608-L613 HydrophobicContact CG2-CG 3.93Å
609	S	94.1	Very high	93.2	Very high	66 Å²	66	89.1 Å²	89.1	46%	0.462	48%	0.484	S	S	.	.			trans	-69.9	157.1	180	62.6	0	0	0	0	112.5	D611 V612 L613	S609-D611 PolarHBondContact O-N 3.15Å; S609-V612 WeakPolarHBondContact O-CB 3.15Å; S609-V612 PolarHBondContact O-N 2.95Å; S609-V612 WeakPolarHBondContact OG-CG2 3.32Å; S609-L613 PolarHBondContact O-N 2.66Å; S609-L613 VanDerWaalsContact O-N 3.12Å
610	D	92.2	Very high	92.6	Very high	130 Å²	130	91.1 Å²	91.1	70%	0.695	50%	0.504	S	S	*	.	H	α-helix	trans	-58.1	-35	177.3	-69.2	-29.8	0	0	0	112.8	V612 L613 Q614	D610-V612 VanDerWaalsContact C-N 3.27Å; D610-V612 PolarHBondContact O-N 2.93Å; D610-L613 WeakPolarHBondContact O-CB 3.42Å; D610-L613 PolarHBondContact O-N 3.11Å; D610-Q614 WeakPolarHBondContact O-CB 3.05Å; D610-Q614 PolarHBondContact O-N 3.3Å
611	D	95.1	Very high	92	Very high	123 Å²	123	93.2 Å²	93.2	66%	0.658	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-36.7	175	-64	-42.2	0	0	0	112.2	S609 R615	S609-D611 PolarHBondContact O-N 3.15Å; D611-R615 WeakPolarHBondContact O-CB 3.14Å; D611-R615 PolarHBondContact O-N 3.32Å
612	V	93.7	Very high	90.7	Very high	54 Å²	54	98.7 Å²	98.7	33%	0.327	55%	0.548	S	S	.	.	H	α-helix	trans	-69.8	-43.3	175.7	175.2	0	0	0	0	109.8	V608 S609 D610 Q614 R615 Y616	V608-V612 HydrophobicContact CB-CB 4.26Å; V608-V612 HydrophobicContact CB-CG1 4.14Å; V608-V612 HydrophobicContact CG2-CG1 4.32Å; S609-V612 WeakPolarHBondContact O-CB 3.15Å; S609-V612 PolarHBondContact O-N 2.95Å; S609-V612 WeakPolarHBondContact OG-CG2 3.32Å; D610-V612 VanDerWaalsContact C-N 3.27Å; D610-V612 PolarHBondContact O-N 2.93Å; V612-Q614 PolarHBondContact O-N 3.32Å; V612-R615 WeakPolarHBondContact O-CB 3.49Å; V612-R615 PolarHBondContact O-N 2.8Å; V612-Y616 HydrophobicContact CG1-CD2 3.85Å; V612-Y616 HydrophobicContact CG1-CE2 3.76Å; V612-Y616 WeakPolarHBondContact O-CD2 3.38Å; V612-Y616 PolarHBondContact O-N 3.16Å
613	L	93.8	Very high	88.7	Confident	33 Å²	33	101.1 Å²	101.1	17%	0.173	55%	0.553	C	S	.	*	H	α-helix	trans	-60.1	-45	175.3	-65.8	177.2	0	0	0	111.5	V608 S609 D610 R615 Y616 C617 I618 A620	V608-L613 HydrophobicContact CG2-CD2 3.64Å; V608-L613 HydrophobicContact CG2-CG 3.93Å; S609-L613 PolarHBondContact O-N 2.66Å; S609-L613 VanDerWaalsContact O-N 3.12Å; D610-L613 WeakPolarHBondContact O-CB 3.42Å; D610-L613 PolarHBondContact O-N 3.11Å; L613-R615 PolarHBondContact O-N 3.17Å; L613-Y616 CarbonylContact O-C 3.55Å; L613-Y616 PolarHBondContact O-N 3.33Å; L613-Y616 VanDerWaalsContact O-N 3.15Å; L613-C617 PolarHBondContact O-N 3.32Å; L613-C617 VanDerWaalsContact O-N 3.08Å; L613-I618 CarbonylContact C-O 3.59Å; L613-I618 WeakPolarHBondContact CB-O 3.48Å; L613-I618 HydrophobicContact CD2-CB 4.2Å; L613-I618 HydrophobicContact CD2-CG2 3.93Å; L613-I618 PolarHBondContact O-N 3.41Å; L613-A620 HydrophobicContact CD1-CB 4.21Å
614	Q	94	Very high	86.6	Confident	148 Å²	148	103.9 Å²	103.9	69%	0.692	57%	0.571	S	S	*	*	H	α-helix	trans	-61.7	-42.7	177	-173.5	179.8	9.3	0	0	111.8	D610 V612 Y616 C617	D610-Q614 WeakPolarHBondContact O-CB 3.05Å; D610-Q614 PolarHBondContact O-N 3.3Å; V612-Q614 PolarHBondContact O-N 3.32Å; Q614-Y616 PolarHBondContact O-N 3.24Å; Q614-C617 PolarHBondContact O-N 3.47Å
615	R	95.2	Very high	84.3	Confident	157 Å²	157	110.4 Å²	110.4	59%	0.592	60%	0.597	S	S	*	*	H	α-helix	trans	-56.8	-34	175.9	175.7	177.5	-178.2	143.7	0.9	112.8	H209 D611 V612 L613	H209-R615 PolarHBondContact CD2-O 3.46Å; H209-R615 PolarHBondContact NE2-NE 3.32Å; D611-R615 WeakPolarHBondContact O-CB 3.14Å; D611-R615 PolarHBondContact O-N 3.32Å; V612-R615 WeakPolarHBondContact O-CB 3.49Å; V612-R615 PolarHBondContact O-N 2.8Å; L613-R615 PolarHBondContact O-N 3.17Å
616	Y	95.4	Very high	82.3	Confident	75 Å²	75	107.9 Å²	107.9	29%	0.294	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	8.2	178.3	-69	-62.4	0	0	0	113.5	P207 T208 H209 V612 L613 Q614 I618	P207-Y616 HydrophobicContact CB-CD1 3.9Å; P207-Y616 HydrophobicContact CB-CG 3.92Å; P207-Y616 HydrophobicContact CG-CD1 4Å; P207-Y616 HydrophobicContact CG-CD2 4.2Å; P207-Y616 HydrophobicContact CG-CE1 4.31Å; P207-Y616 HydrophobicContact CG-CE2 4.49Å; P207-Y616 HydrophobicContact CG-CG 3.96Å; T208-Y616 WeakPolarHBondContact O-CA 3.02Å; T208-Y616 WeakPolarHBondContact O-CD1 3.35Å; H209-Y616 AromaticContact CD2-CD1 3.85Å; H209-Y616 AromaticContact CD2-CE1 3.72Å; H209-Y616 AromaticContact NE2-CE1 3.98Å; V612-Y616 HydrophobicContact CG1-CD2 3.85Å; V612-Y616 HydrophobicContact CG1-CE2 3.76Å; V612-Y616 WeakPolarHBondContact O-CD2 3.38Å; V612-Y616 PolarHBondContact O-N 3.16Å; L613-Y616 CarbonylContact O-C 3.55Å; L613-Y616 PolarHBondContact O-N 3.33Å; L613-Y616 VanDerWaalsContact O-N 3.15Å; Q614-Y616 PolarHBondContact O-N 3.24Å; Y616-I618 PolarHBondContact O-N 3.17Å
617	C	93	Very high	80.1	Confident	73 Å²	73	110.2 Å²	110.2	49%	0.493	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	53.8	32.4	-176.1	-55	0	0	0	0	113.4	A211 L613 Q614	A211-C617 HydrophobicContact CB-CB 3.99Å; L613-C617 PolarHBondContact O-N 3.32Å; L613-C617 VanDerWaalsContact O-N 3.08Å; Q614-C617 PolarHBondContact O-N 3.47Å
618	I	92.7	Very high	77.6	Confident	58 Å²	58	109.2 Å²	109.2	30%	0.297	59%	0.589	S	S	.	*			trans	-99.6	136.4	178.5	-65.7	173.6	0	0	0	109.2	P207 F214 L613 Y616	P207-I618 HydrophobicContact CB-CD1 3.63Å; P207-I618 HydrophobicContact CG-CD1 4.3Å; F214-I618 HydrophobicContact CE1-CD1 4.16Å; L613-I618 CarbonylContact C-O 3.59Å; L613-I618 WeakPolarHBondContact CB-O 3.48Å; L613-I618 HydrophobicContact CD2-CB 4.2Å; L613-I618 HydrophobicContact CD2-CG2 3.93Å; L613-I618 PolarHBondContact O-N 3.41Å; Y616-I618 PolarHBondContact O-N 3.17Å
619	K	88	Confident	75.3	Confident	182 Å²	182	112.9 Å²	112.9	79%	0.791	60%	0.604	S	S	*	*			trans	-113.8	118.8	165.9	-171.8	177.3	-179.1	-178.8	0	108.3	C621	K619-C621 PolarHBondContact O-N 2.92Å
620	A	82	Confident	72.5	Confident	68 Å²	68	123.1 Å²	123.1	56%	0.562	63%	0.633	S	S	*	*			trans	-68.5	113.5	173.1	0	0	0	0	0	109.1	L613	L613-A620 HydrophobicContact CD1-CB 4.21Å
621	C	80.2	Confident	71.5	Confident	93 Å²	93	122.8 Å²	122.8	63%	0.628	63%	0.63	S	S	*	*			trans	-90.2	109.2	168	-70.3	0	0	0	0	108.1	K619 H623	K619-C621 PolarHBondContact O-N 2.92Å; C621-H623 PolarHBondContact O-N 3.14Å
622	L	66.8	Low	70.2	Confident	176 Å²	176	122.8 Å²	122.8	92%	0.921	63%	0.628	S	S	*	*			trans	-72.1	85.2	165	-66.9	169.8	0	0	0	107.4	A624	L622-A624 PolarHBondContact O-N 2.97Å
623	H	53.6	Low	68.9	Low	140 Å²	140	126.6 Å²	126.6	65%	0.648	65%	0.645	S	S	*	*			trans	-68.9	114	165.7	-85	-66.5	0	0	0	108.1	C621 E625 A626	C621-H623 PolarHBondContact O-N 3.14Å; H623-E625 PolarHBondContact O-N 2.68Å; H623-E625 VanDerWaalsContact O-N 3.1Å; H623-A626 PolarHBondContact O-N 2.76Å
624	A	49.5	Very low	67.5	Low	106 Å²	106	132.1 Å²	132.1	88%	0.876	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-4.2	172.7	0	0	0	0	0	113.5	L622	L622-A624 PolarHBondContact O-N 2.97Å
625	E	44.1	Very low	65.8	Low	153 Å²	153	131.1 Å²	131.1	72%	0.715	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	20.3	-179.5	-67.3	-178	160.4	0	0	113.4	H623 D627 H628	H623-E625 PolarHBondContact O-N 2.68Å; H623-E625 VanDerWaalsContact O-N 3.1Å; E625-D627 PolarHBondContact O-N 3.01Å; E625-H628 PolarHBondContact O-N 2.91Å
626	A	49.5	Very low	63.9	Low	55 Å²	55	129.4 Å²	129.4	46%	0.455	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-64.3	-2.2	179.6	0	0	0	0	0	114.9	H623 H628	H623-A626 PolarHBondContact O-N 2.76Å; A626-H628 PolarHBondContact O-N 3.28Å
627	D	46.6	Very low	61.6	Low	149 Å²	149	133.3 Å²	133.3	80%	0.797	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-68.1	-10.1	171.8	-75.3	-17.5	0	0	0	113.4	E625	E625-D627 PolarHBondContact O-N 3.01Å
628	H	39.2	Very low	59.2	Low	174 Å²	174	137.9 Å²	137.9	81%	0.806	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-105	-6.8	179	-71.7	-48.2	0	0	0	115.9	E625 A626	E625-H628 PolarHBondContact O-N 2.91Å; A626-H628 PolarHBondContact O-N 3.28Å
629	I	41.8	Very low	56.4	Low	158 Å²	158	144.6 Å²	144.6	81%	0.81	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-16.2	-179.4	-61	177.7	0	0	0	112.5
630	R	35.7	Very low	53.5	Low	281 Å²	281	141.2 Å²	141.2	100%	1.06	75%	0.753	S	S	*	*			trans	-97.3	0	168.7	-75.5	-174.3	177.6	172.5	3.3	110.6

Retrieved 630 of 630 residues in 328.9 ms (Link to these results)

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