A0A3Q0KPK0_SCHMA Loading...

N-acetylgalactosaminide beta-1,3-galactosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49	Very low	53.7	Low	214 Å²	214	144.4 Å²	144.4	100%	1.054	67%	0.671	S	S	*	*				0	-53.3	0	-78.6	-173	-91	0	0	114.5	K3 L4 Q5	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-Q5 PolarHBondContact O-N 3.22Å
2	K	49.8	Very low	54.2	Low	190 Å²	190	137.1 Å²	137.1	83%	0.826	65%	0.654	S	S	*	*	H	α-helix	trans	-57.4	-33	-179	-78.2	-176.3	175.9	178.4	0	116.1	Y6	K2-Y6 PolarHBondContact O-N 3.14Å
3	K	47.5	Very low	54	Low	185 Å²	185	141 Å²	141	80%	0.804	66%	0.66	S	S	*	*	H	α-helix	trans	-67.9	-34.9	176.5	-99.3	-177.8	175.9	178.5	0	113.8	M1 Y6 Q7	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.43Å; K3-Y6 PolarHBondContact O-N 3.11Å; K3-Q7 PolarHBondContact O-N 3.39Å
4	L	54.4	Low	54.3	Low	118 Å²	118	136.8 Å²	136.8	62%	0.618	65%	0.654	S	S	*	*	H	α-helix	trans	-73.2	-36.7	-179	-141.8	82	0	0	0	111.3	M1 Y6 Q7 N8	M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; L4-Y6 PolarHBondContact O-N 3.4Å; L4-Q7 PolarHBondContact O-N 3.28Å; L4-N8 PolarHBondContact O-N 3.45Å; L4-N8 VanDerWaalsContact O-N 3.14Å
5	Q	54.4	Low	54.7	Low	147 Å²	147	138.3 Å²	138.3	69%	0.687	66%	0.657	S	S	*	*	H	α-helix	trans	-65.3	-33.9	175	-119.7	174.4	-15	0	0	112.6	M1 S9	M1-Q5 PolarHBondContact O-N 3.22Å; Q5-S9 WeakPolarHBondContact O-CB 3.5Å; Q5-S9 PolarHBondContact O-N 3.11Å; Q5-S9 VanDerWaalsContact O-N 3.14Å; Q5-S9 PolarHBondContact O-OG 3.49Å; Q5-S9 VanDerWaalsContact O-OG 3.11Å
6	Y	52.8	Low	55.2	Low	138 Å²	138	139.7 Å²	139.7	54%	0.541	66%	0.66	S	S	.	*	H	α-helix	trans	-72.8	-34.6	176.6	-169.9	-95.2	0	0	0	113.2	K2 K3 L4 S9 R10	K2-Y6 PolarHBondContact O-N 3.14Å; K3-Y6 PolarHBondContact O-N 3.11Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; L4-Y6 PolarHBondContact O-N 3.4Å; Y6-S9 WeakPolarHBondContact CA-OG 3.46Å; Y6-S9 PolarHBondContact O-OG 3.14Å; Y6-S9 VanDerWaalsContact O-OG 3.08Å; Y6-R10 HydrophobicContact CE1-CG 4.38Å; Y6-R10 PolarHBondContact O-N 3.37Å
7	Q	56.9	Low	55.6	Low	132 Å²	132	142.6 Å²	142.6	62%	0.617	66%	0.663	S	S	*	*	H	α-helix	trans	-70.1	-42.3	175.2	-80.4	-179.7	-45.6	0	0	111.8	K3 L4 S9 R10 Q11	K3-Q7 PolarHBondContact O-N 3.39Å; L4-Q7 PolarHBondContact O-N 3.28Å; Q7-S9 PolarHBondContact O-N 3.13Å; Q7-R10 PolarHBondContact O-N 3.45Å; Q7-Q11 PolarHBondContact O-N 2.99Å
8	N	60.4	Low	56	Low	102 Å²	102	136.8 Å²	136.8	55%	0.545	65%	0.648	S	S	.	*	H	α-helix	trans	-66.2	-37.4	177.8	-74.8	-5.8	0	0	0	112.5	L4 Q11 A12	L4-N8 PolarHBondContact O-N 3.45Å; L4-N8 VanDerWaalsContact O-N 3.14Å; N8-Q11 PolarHBondContact O-N 3.37Å; N8-A12 PolarHBondContact O-N 3.45Å; N8-A12 VanDerWaalsContact O-N 3.11Å
9	S	54.6	Low	56.8	Low	62 Å²	62	135.2 Å²	135.2	43%	0.434	64%	0.643	S	S	.	*	H	α-helix	trans	-69.4	-37.3	176.9	60.3	0	0	0	0	112.8	Q5 Y6 Q7 Q11 A12 Y13	Q5-S9 WeakPolarHBondContact O-CB 3.5Å; Q5-S9 PolarHBondContact O-N 3.11Å; Q5-S9 VanDerWaalsContact O-N 3.14Å; Q5-S9 PolarHBondContact O-OG 3.49Å; Q5-S9 VanDerWaalsContact O-OG 3.11Å; Y6-S9 WeakPolarHBondContact CA-OG 3.46Å; Y6-S9 PolarHBondContact O-OG 3.14Å; Y6-S9 VanDerWaalsContact O-OG 3.08Å; Q7-S9 PolarHBondContact O-N 3.13Å; S9-Q11 VanDerWaalsContact C-N 3.34Å; S9-Q11 PolarHBondContact O-N 3.45Å; S9-A12 PolarHBondContact O-N 3.46Å; S9-Y13 WeakPolarHBondContact O-CB 3.5Å; S9-Y13 PolarHBondContact O-N 3.08Å
10	R	53.9	Low	57.3	Low	169 Å²	169	132.3 Å²	132.3	64%	0.638	64%	0.637	S	S	*	*	H	α-helix	trans	-62.4	-38.3	173	-100.2	-172.4	173.2	-170.8	-1.8	112.8	Y6 Q7 S14	Y6-R10 HydrophobicContact CE1-CG 4.38Å; Y6-R10 PolarHBondContact O-N 3.37Å; Q7-R10 PolarHBondContact O-N 3.45Å; R10-S14 PolarHBondContact O-N 3.11Å; R10-S14 VanDerWaalsContact O-N 3.11Å
11	Q	57.1	Low	57.8	Low	131 Å²	131	129.9 Å²	129.9	61%	0.612	63%	0.633	S	S	*	*	H	α-helix	trans	-72.3	-37.5	-179.6	-135.1	176.2	12	0	0	112.1	Q7 N8 S9 K15	Q7-Q11 PolarHBondContact O-N 2.99Å; N8-Q11 PolarHBondContact O-N 3.37Å; S9-Q11 VanDerWaalsContact C-N 3.34Å; S9-Q11 PolarHBondContact O-N 3.45Å; Q11-K15 PolarHBondContact O-N 3.3Å
12	A	58.9	Low	58.9	Low	57 Å²	57	124.9 Å²	124.9	47%	0.471	61%	0.61	S	S	.	*	H	α-helix	trans	-66.6	-41.8	173.4	0	0	0	0	0	112.2	N8 S9 S14 K15 F16	N8-A12 PolarHBondContact O-N 3.45Å; N8-A12 VanDerWaalsContact O-N 3.11Å; S9-A12 PolarHBondContact O-N 3.46Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.18Å; A12-K15 PolarHBondContact O-N 3.4Å; A12-F16 PolarHBondContact O-N 3.2Å; A12-F16 VanDerWaalsContact O-N 3.13Å
13	Y	52.8	Low	60.2	Low	188 Å²	188	121.2 Å²	121.2	74%	0.737	60%	0.598	S	S	*	*	H	α-helix	trans	-66	-35	178.6	-126	-89.8	0	0	0	112.7	S9 R17	S9-Y13 WeakPolarHBondContact O-CB 3.5Å; S9-Y13 PolarHBondContact O-N 3.08Å; Y13-R17 WeakPolarHBondContact O-CB 3.38Å; Y13-R17 PolarHBondContact O-N 3.11Å; Y13-R17 VanDerWaalsContact O-N 3.11Å
14	S	57.6	Low	61.4	Low	82 Å²	82	118 Å²	118	57%	0.573	59%	0.589	S	S	*	*	H	α-helix	trans	-68.3	-40.2	176.9	130.6	0	0	0	0	112	R10 A12 G18	R10-S14 PolarHBondContact O-N 3.11Å; R10-S14 VanDerWaalsContact O-N 3.11Å; A12-S14 VanDerWaalsContact C-N 3.35Å; A12-S14 PolarHBondContact O-N 3.18Å; S14-G18 PolarHBondContact O-N 3.43Å
15	K	60.6	Low	62.1	Low	159 Å²	159	114.2 Å²	114.2	69%	0.691	58%	0.578	S	S	*	*	H	α-helix	trans	-68.4	-41.2	178.4	-76	-173.5	175.6	-176.9	0	112.3	Q11 A12 G18 L19	Q11-K15 PolarHBondContact O-N 3.3Å; A12-K15 PolarHBondContact O-N 3.4Å; K15-G18 PolarHBondContact O-N 3.09Å; K15-L19 PolarHBondContact O-N 3.26Å
16	F	62.3	Low	63.2	Low	161 Å²	161	111.9 Å²	111.9	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-68.5	-36.8	177.4	-102.8	-85.2	0	0	0	113.1	A12 L19 C20	A12-F16 PolarHBondContact O-N 3.2Å; A12-F16 VanDerWaalsContact O-N 3.13Å; F16-L19 PolarHBondContact O-N 3.47Å; F16-C20 PolarHBondContact O-N 3.17Å; F16-C20 VanDerWaalsContact O-N 3.09Å
17	R	61.6	Low	64.3	Low	189 Å²	189	107.1 Å²	107.1	71%	0.713	56%	0.563	S	S	*	*	H	α-helix	trans	-67.6	-36.8	177.3	-161.8	173.9	-179	167.6	0.3	112.2	Y13 C21	Y13-R17 WeakPolarHBondContact O-CB 3.38Å; Y13-R17 PolarHBondContact O-N 3.11Å; Y13-R17 VanDerWaalsContact O-N 3.11Å; R17-C21 WeakPolarHBondContact O-CB 3.38Å; R17-C21 PolarHBondContact O-N 3Å; R17-C21 VanDerWaalsContact O-N 3.11Å; R17-C21 PolarHBondContact O-SG 3.11Å; R17-C21 VanDerWaalsContact O-SG 3.38Å
18	G	63	Low	65	Low	38 Å²	38	104.7 Å²	104.7	39%	0.392	56%	0.557	S	S	.	*	H	α-helix	trans	-62.3	-44.9	174.5	0	0	0	0	0	112.8	S14 K15 L22	S14-G18 PolarHBondContact O-N 3.43Å; K15-G18 PolarHBondContact O-N 3.09Å; G18-L22 PolarHBondContact O-N 3.02Å
19	L	71.8	Confident	65.4	Low	107 Å²	107	101.2 Å²	101.2	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-69.2	-40.3	-178.9	-151.8	76	0	0	0	112.3	K15 F16 L22 I23	K15-L19 PolarHBondContact O-N 3.26Å; F16-L19 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-I23 HydrophobicContact CG-CD1 4.42Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.07Å
20	C	67.5	Low	66.2	Low	77 Å²	77	103 Å²	103	52%	0.52	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-39.8	177.7	-132	0	0	0	0	112	F16 I23 L24	F16-C20 PolarHBondContact O-N 3.17Å; F16-C20 VanDerWaalsContact O-N 3.09Å; C20-I23 PolarHBondContact O-N 2.94Å; C20-L24 WeakPolarHBondContact O-CB 3.44Å; C20-L24 PolarHBondContact O-N 3.38Å
21	C	67.4	Low	67	Low	82 Å²	82	100.3 Å²	100.3	55%	0.554	55%	0.547	S	S	*	.	H	α-helix	trans	-66.7	-34.7	174.6	-74.1	0	0	0	0	112.8	R17 G25	R17-C21 WeakPolarHBondContact O-CB 3.38Å; R17-C21 PolarHBondContact O-N 3Å; R17-C21 VanDerWaalsContact O-N 3.11Å; R17-C21 PolarHBondContact O-SG 3.11Å; R17-C21 VanDerWaalsContact O-SG 3.38Å; C21-G25 WeakPolarHBondContact O-CA 3.4Å; C21-G25 PolarHBondContact O-N 3.35Å
22	L	72.2	Confident	67.3	Low	108 Å²	108	99 Å²	99	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-66.4	-46	174.7	-105.9	154.9	0	0	0	111.8	G18 L19 G25 I26	G18-L22 PolarHBondContact O-N 3.02Å; L19-L22 PolarHBondContact O-N 3.29Å; L22-G25 PolarHBondContact O-N 2.87Å; L22-I26 HydrophobicContact CD2-CD1 4.09Å; L22-I26 WeakPolarHBondContact O-CB 3.35Å; L22-I26 WeakPolarHBondContact O-CD1 3.48Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.97Å
23	I	76.2	Confident	67.4	Low	113 Å²	113	102 Å²	102	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-67.5	-44.4	-179.5	-64.4	169.6	0	0	0	110.9	L19 C20 G25 I26 G27	L19-I23 HydrophobicContact CG-CD1 4.42Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.07Å; C20-I23 PolarHBondContact O-N 2.94Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.42Å; I23-I26 PolarHBondContact O-N 2.72Å; I23-G27 PolarHBondContact O-N 3.31Å
24	L	72.7	Confident	67.8	Low	118 Å²	118	99.1 Å²	99.1	62%	0.618	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-36	175.1	-77.8	163.3	0	0	0	112.1	C20 T28	C20-L24 WeakPolarHBondContact O-CB 3.44Å; C20-L24 PolarHBondContact O-N 3.38Å; L24-T28 WeakPolarHBondContact O-CB 3.23Å; L24-T28 WeakPolarHBondContact O-CG2 3.45Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 3.49Å
25	G	69.9	Low	67.7	Low	38 Å²	38	99 Å²	99	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-41.2	175.4	0	0	0	0	0	113	C21 L22 I23 T28 G29	C21-G25 WeakPolarHBondContact O-CA 3.4Å; C21-G25 PolarHBondContact O-N 3.35Å; L22-G25 PolarHBondContact O-N 2.87Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.42Å; G25-T28 WeakPolarHBondContact CA-OG1 3.47Å; G25-T28 PolarHBondContact O-OG1 3.47Å; G25-T28 VanDerWaalsContact O-OG1 3.14Å; G25-G29 PolarHBondContact O-N 2.92Å
26	I	76.9	Confident	67.3	Low	99 Å²	99	95.6 Å²	95.6	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-69.8	-43.2	176.6	-67.9	165.1	0	0	0	110.5	L22 I23 T28 G29 L30	L22-I26 HydrophobicContact CD2-CD1 4.09Å; L22-I26 WeakPolarHBondContact O-CB 3.35Å; L22-I26 WeakPolarHBondContact O-CD1 3.48Å; L22-I26 VanDerWaalsContact O-CG1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.97Å; I23-I26 PolarHBondContact O-N 2.72Å; I26-T28 PolarHBondContact O-N 2.92Å; I26-G29 PolarHBondContact O-N 3.5Å; I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 WeakPolarHBondContact O-CB 3.5Å; I26-L30 PolarHBondContact O-N 3.44Å
27	G	75.9	Confident	66.5	Low	38 Å²	38	97.2 Å²	97.2	39%	0.392	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-43.8	177.4	0	0	0	0	0	112.9	I23 L31	I23-G27 PolarHBondContact O-N 3.31Å; G27-L31 PolarHBondContact O-N 2.94Å; G27-L31 VanDerWaalsContact O-N 3.1Å
28	T	71.1	Confident	66	Low	81 Å²	81	93.4 Å²	93.4	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-70.5	-36.2	175.7	50.4	0	0	0	0	112.5	L24 G25 I26 L31 L32	L24-T28 WeakPolarHBondContact O-CB 3.23Å; L24-T28 WeakPolarHBondContact O-CG2 3.45Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 3.49Å; G25-T28 WeakPolarHBondContact CA-OG1 3.47Å; G25-T28 PolarHBondContact O-OG1 3.47Å; G25-T28 VanDerWaalsContact O-OG1 3.14Å; I26-T28 PolarHBondContact O-N 2.92Å; T28-L31 PolarHBondContact O-N 3.26Å; T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.46Å; T28-L32 PolarHBondContact O-N 3.35Å
29	G	68.7	Low	65	Low	29 Å²	29	99.5 Å²	99.5	30%	0.299	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-42.7	173.8	0	0	0	0	0	113.4	G25 I26 L32 L33	G25-G29 PolarHBondContact O-N 2.92Å; I26-G29 PolarHBondContact O-N 3.5Å; G29-L32 PolarHBondContact O-N 3.14Å; G29-L33 WeakPolarHBondContact O-CG 3.31Å; G29-L33 PolarHBondContact O-N 3.11Å
30	L	72.3	Confident	63.8	Low	99 Å²	99	101.1 Å²	101.1	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-40	175.6	-96	148.6	0	0	0	112.3	I26 L32 L33 L34	I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 WeakPolarHBondContact O-CB 3.5Å; I26-L30 PolarHBondContact O-N 3.44Å; L30-L32 VanDerWaalsContact C-N 3.29Å; L30-L32 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 2.86Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.22Å
31	L	70	Confident	62.4	Low	113 Å²	113	100.2 Å²	100.2	59%	0.592	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-36.8	174	-119.1	99	0	0	0	112.1	G27 T28 N35	G27-L31 PolarHBondContact O-N 2.94Å; G27-L31 VanDerWaalsContact O-N 3.1Å; T28-L31 PolarHBondContact O-N 3.26Å; L31-N35 PolarHBondContact O-N 2.98Å; L31-N35 VanDerWaalsContact O-N 3.11Å; L31-N35 PolarHBondContact O-ND2 3.43Å
32	L	64.4	Low	61	Low	102 Å²	102	103.3 Å²	103.3	53%	0.534	56%	0.564	S	S	.	*	H	α-helix	trans	-70.1	-36.2	175.9	-75.3	168.4	0	0	0	112.1	T28 G29 L30 F36	T28-L32 WeakPolarHBondContact O-CB 3.48Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.46Å; T28-L32 PolarHBondContact O-N 3.35Å; G29-L32 PolarHBondContact O-N 3.14Å; L30-L32 VanDerWaalsContact C-N 3.29Å; L30-L32 PolarHBondContact O-N 3.1Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 2.97Å
33	L	60.8	Low	59.5	Low	122 Å²	122	104.5 Å²	104.5	64%	0.639	58%	0.576	S	S	*	*	H	α-helix	trans	-69.4	-38.8	175.3	-77.6	167.8	0	0	0	112.6	G29 L30 N35 F36	G29-L33 WeakPolarHBondContact O-CG 3.31Å; G29-L33 PolarHBondContact O-N 3.11Å; L30-L33 PolarHBondContact O-N 2.86Å; L33-N35 VanDerWaalsContact C-N 3.35Å; L33-F36 VanDerWaalsContact O-CB 3.27Å; L33-F36 WeakPolarHBondContact O-CB 3.42Å; L33-F36 PolarHBondContact O-N 3.01Å; L33-F36 VanDerWaalsContact O-N 3.15Å
34	L	60.1	Low	57.7	Low	126 Å²	126	105.3 Å²	105.3	66%	0.66	58%	0.575	S	S	*	*	H	α-helix	trans	-66.4	-36.9	175.3	-77.2	161.8	0	0	0	111.8	L30 F36	L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.22Å; L34-F36 VanDerWaalsContact C-N 3.32Å
35	N	57	Low	56.3	Low	79 Å²	79	104 Å²	104	42%	0.422	57%	0.569	S	S	.	*	H	α-helix	trans	-74.9	-19.8	172.1	-76.7	-63.2	0	0	0	113.3	L31 L33 K37 V38 F39	L31-N35 PolarHBondContact O-N 2.98Å; L31-N35 VanDerWaalsContact O-N 3.11Å; L31-N35 PolarHBondContact O-ND2 3.43Å; L33-N35 VanDerWaalsContact C-N 3.35Å; N35-K37 VanDerWaalsContact C-N 3.3Å; N35-K37 PolarHBondContact O-N 3.11Å; N35-V38 PolarHBondContact O-N 3.35Å; N35-V38 VanDerWaalsContact O-N 3.11Å; N35-F39 PolarHBondContact O-N 3.15Å
36	F	51.3	Low	54.9	Low	88 Å²	88	106.6 Å²	106.6	39%	0.386	57%	0.568	S	S	.	*	H	α-helix	trans	-65	-32	-178.2	-134.1	-96.5	0	0	0	112.9	L32 L33 L34 V38 F39 F40	L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 2.97Å; L33-F36 VanDerWaalsContact O-CB 3.27Å; L33-F36 WeakPolarHBondContact O-CB 3.42Å; L33-F36 PolarHBondContact O-N 3.01Å; L33-F36 VanDerWaalsContact O-N 3.15Å; L34-F36 VanDerWaalsContact C-N 3.32Å; F36-V38 VanDerWaalsContact C-N 3.33Å; F36-F39 PolarHBondContact O-N 3.28Å; F36-F40 AromaticContact CD1-CD2 3.73Å; F36-F40 HydrophobicContact CD1-CD2 3.73Å; F36-F40 AromaticContact CD1-CE2 3.83Å; F36-F40 HydrophobicContact CD1-CE2 3.83Å; F36-F40 AromaticContact CE1-CD2 3.63Å; F36-F40 HydrophobicContact CE1-CD2 3.63Å; F36-F40 AromaticContact CE1-CE2 3.26Å; F36-F40 HydrophobicContact CE1-CE2 3.26Å; F36-F40 HydrophobicContact CE1-CZ 4.16Å; F36-F40 HydrophobicContact CE2-CE2 4.33Å; F36-F40 HydrophobicContact CZ-CD2 4.32Å; F36-F40 AromaticContact CZ-CE2 3.56Å; F36-F40 HydrophobicContact CZ-CE2 3.56Å; F36-F40 HydrophobicContact CZ-CZ 4.32Å
37	K	46.4	Very low	53.2	Low	196 Å²	196	107.8 Å²	107.8	85%	0.852	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-26.3	174.4	-98.9	-175	174.8	-178.2	0	113.5	N35	N35-K37 VanDerWaalsContact C-N 3.3Å; N35-K37 PolarHBondContact O-N 3.11Å
38	V	50.3	Low	51.9	Low	109 Å²	109	112.3 Å²	112.3	66%	0.661	58%	0.582	S	S	*	*	H	α-helix	trans	-78.1	-27.7	177.4	179.7	0	0	0	0	111.2	N35 F36	N35-V38 PolarHBondContact O-N 3.35Å; N35-V38 VanDerWaalsContact O-N 3.11Å; F36-V38 VanDerWaalsContact C-N 3.33Å
39	F	43	Very low	50.7	Low	165 Å²	165	110.8 Å²	110.8	72%	0.724	57%	0.567	S	S	*	*	H	α-helix	trans	-87.6	-20.4	-173.9	-99.4	-86	0	0	0	116	N35 F36	N35-F39 PolarHBondContact O-N 3.15Å; F36-F39 PolarHBondContact O-N 3.28Å
40	F	45.9	Very low	49.6	Very low	142 Å²	142	115.3 Å²	115.3	62%	0.623	58%	0.576	S	S	*	*	S	Bend	trans	-105.9	11.7	-174.8	-82.2	-82.9	0	0	0	114.9	F36	F36-F40 AromaticContact CD1-CD2 3.73Å; F36-F40 HydrophobicContact CD1-CD2 3.73Å; F36-F40 AromaticContact CD1-CE2 3.83Å; F36-F40 HydrophobicContact CD1-CE2 3.83Å; F36-F40 AromaticContact CE1-CD2 3.63Å; F36-F40 HydrophobicContact CE1-CD2 3.63Å; F36-F40 AromaticContact CE1-CE2 3.26Å; F36-F40 HydrophobicContact CE1-CE2 3.26Å; F36-F40 HydrophobicContact CE1-CZ 4.16Å; F36-F40 HydrophobicContact CE2-CE2 4.33Å; F36-F40 HydrophobicContact CZ-CD2 4.32Å; F36-F40 AromaticContact CZ-CE2 3.56Å; F36-F40 HydrophobicContact CZ-CE2 3.56Å; F36-F40 HydrophobicContact CZ-CZ 4.32Å
41	G	37.8	Very low	48.7	Very low	58 Å²	58	114.9 Å²	114.9	60%	0.598	57%	0.574	S	S	*	*	S	Bend	trans	-96.7	-16.9	-177.8	0	0	0	0	0	116.6
42	N	38.5	Very low	47.8	Very low	147 Å²	147	117.3 Å²	117.3	79%	0.786	58%	0.577	S	S	*	*	S	Bend	trans	-108.4	114.4	-172.9	-77.1	-3.9	0	0	0	111.6	F44	N42-F44 PolarHBondContact O-N 2.74Å
43	T	39.4	Very low	47	Very low	133 Å²	133	115.8 Å²	115.8	82%	0.816	56%	0.564	S	S	*	*			trans	-45.7	127.1	161.3	44.9	0	0	0	0	109.9	N45	T43-N45 PolarHBondContact O-N 3.22Å
44	F	39	Very low	46.7	Very low	130 Å²	130	115 Å²	115	57%	0.57	56%	0.56	S	S	*	*			trans	-50.3	107.8	179	179.8	-98.9	0	0	0	110.8	N42 Y46 Y49 M350	N42-F44 PolarHBondContact O-N 2.74Å; F44-Y46 HydrophobicContact CE1-CD2 4.49Å; F44-Y46 PolarHBondContact O-N 2.87Å; F44-Y49 HydrophobicContact CZ-CG 4.18Å; F44-M350 HydrophobicContact CE1-CE 3.84Å; F44-M350 HydrophobicContact CZ-CE 3.72Å
45	N	43.3	Very low	46.4	Very low	89 Å²	89	115.8 Å²	115.8	48%	0.476	57%	0.565	S	S	.	*			trans	-86.6	98.5	178.3	-171.9	-14.3	0	0	0	109.2	T43 Q47 E48 Y49	T43-N45 PolarHBondContact O-N 3.22Å; N45-Q47 PolarHBondContact O-N 3.38Å; N45-Q47 VanDerWaalsContact O-N 3.15Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.01Å; N45-Q47 PolarHBondContact OD1-N 2.97Å; N45-Q47 VanDerWaalsContact OD1-N 3.08Å; N45-E48 HydrophobicContact CB-CB 4.04Å; N45-E48 PolarHBondContact O-N 3.46Å; N45-Y49 PolarHBondContact O-N 3.16Å
46	Y	40	Very low	45.9	Very low	94 Å²	94	118.1 Å²	118.1	37%	0.369	57%	0.572	S	S	.	*	H	α-helix	trans	-51.6	-35.2	177.2	-179.5	-92.3	0	0	0	112.6	F44 Y50 Y390	F44-Y46 HydrophobicContact CE1-CD2 4.49Å; F44-Y46 PolarHBondContact O-N 2.87Å; Y46-Y50 WeakPolarHBondContact O-CB 3.09Å; Y46-Y50 PolarHBondContact O-N 2.9Å; Y46-Y390 WeakPolarHBondContact OH-CE1 3.47Å; Y46-Y390 VanDerWaalsContact OH-CZ 3.29Å; Y46-Y390 PolarHBondContact OH-OH 2.88Å; Y46-Y390 VanDerWaalsContact OH-OH 3.04Å
47	Q	42.3	Very low	45.5	Very low	123 Å²	123	123.5 Å²	123.5	58%	0.575	60%	0.595	S	S	*	*	H	α-helix	trans	-66.3	-38.8	179.8	-148	84.4	-5.6	0	0	112	N45 Y50 N51	N45-Q47 PolarHBondContact O-N 3.38Å; N45-Q47 VanDerWaalsContact O-N 3.15Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.01Å; N45-Q47 PolarHBondContact OD1-N 2.97Å; N45-Q47 VanDerWaalsContact OD1-N 3.08Å; Q47-Y50 PolarHBondContact O-N 3.46Å; Q47-N51 WeakPolarHBondContact O-CB 2.87Å; Q47-N51 VanDerWaalsContact O-CG 3.24Å; Q47-N51 PolarHBondContact O-N 3.35Å; Q47-N51 PolarHBondContact O-ND2 3.25Å
48	E	49.3	Very low	45.6	Very low	133 Å²	133	118 Å²	118	62%	0.621	58%	0.575	S	S	*	*	H	α-helix	trans	-71.9	-41.2	-177.8	-160.8	175.8	-167.6	0	0	111.1	N45 N51 Y52	N45-E48 HydrophobicContact CB-CB 4.04Å; N45-E48 PolarHBondContact O-N 3.46Å; E48-N51 PolarHBondContact O-N 3.42Å; E48-Y52 WeakPolarHBondContact O-CB 3.27Å; E48-Y52 PolarHBondContact O-N 3.08Å
49	Y	45.5	Very low	45.3	Very low	50 Å²	50	122.7 Å²	122.7	20%	0.196	58%	0.582	C	S	.	*	H	α-helix	trans	-63.1	-43.1	171.7	172.5	-93.9	0	0	0	111.9	F44 N45 N51 Y52 R53 S347 D349	F44-Y49 HydrophobicContact CZ-CG 4.18Å; N45-Y49 PolarHBondContact O-N 3.16Å; Y49-N51 VanDerWaalsContact C-N 3.35Å; Y49-N51 PolarHBondContact O-N 3.32Å; Y49-Y52 PolarHBondContact O-N 3.33Å; Y49-R53 WeakPolarHBondContact O-CB 3.01Å; Y49-R53 PolarHBondContact O-N 2.85Å; Y49-R53 PolarHBondContact OH-NH1 3.43Å; Y49-S347 PolarHBondContact OH-OG 2.91Å; Y49-D349 VanDerWaalsContact CE2-OD2 3.31Å; Y49-D349 WeakPolarHBondContact CE2-OD2 3.46Å; Y49-D349 VanDerWaalsContact CZ-OD2 3.27Å; Y49-D349 PolarHBondContact OH-OD1 3.41Å; Y49-D349 PolarHBondContact OH-OD2 3.46Å
50	Y	45.9	Very low	45.1	Very low	124 Å²	124	121.9 Å²	121.9	49%	0.486	59%	0.585	S	S	.	*	H	α-helix	trans	-59.9	-43.7	176.1	-171.2	-93.9	0	0	0	111.8	Y46 Q47 R53 N54	Y46-Y50 WeakPolarHBondContact O-CB 3.09Å; Y46-Y50 PolarHBondContact O-N 2.9Å; Q47-Y50 PolarHBondContact O-N 3.46Å; Y50-R53 PolarHBondContact O-N 3.31Å; Y50-N54 WeakPolarHBondContact CE1-ND2 3.17Å; Y50-N54 PolarHBondContact O-N 3.11Å
51	N	51.5	Low	45.6	Very low	89 Å²	89	116 Å²	116	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-67	-43.1	177	-73.6	-18.4	0	0	0	112.8	Q47 E48 Y49 R53 N54 N55	Q47-N51 WeakPolarHBondContact O-CB 2.87Å; Q47-N51 VanDerWaalsContact O-CG 3.24Å; Q47-N51 PolarHBondContact O-N 3.35Å; Q47-N51 PolarHBondContact O-ND2 3.25Å; E48-N51 PolarHBondContact O-N 3.42Å; Y49-N51 VanDerWaalsContact C-N 3.35Å; Y49-N51 PolarHBondContact O-N 3.32Å; N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.37Å; N51-N54 PolarHBondContact O-N 2.95Å; N51-N55 PolarHBondContact O-N 3.43Å
52	Y	51.1	Low	46.5	Very low	165 Å²	165	116.5 Å²	116.5	65%	0.647	55%	0.55	S	S	*	*	H	α-helix	trans	-59.6	-40.2	176.3	177	-102.7	0	0	0	111.8	E48 Y49 N55	E48-Y52 WeakPolarHBondContact O-CB 3.27Å; E48-Y52 PolarHBondContact O-N 3.08Å; Y49-Y52 PolarHBondContact O-N 3.33Å; Y52-N55 PolarHBondContact O-N 3.27Å
53	R	48.8	Very low	47.5	Very low	70 Å²	70	117.1 Å²	117.1	26%	0.264	55%	0.546	S	S	.	.	H	α-helix	trans	-69.8	-39	-179.1	-166.4	170.9	-179	173.3	-9.5	113	Y49 Y50 N51 N55 D349 Y390	Y49-R53 WeakPolarHBondContact O-CB 3.01Å; Y49-R53 PolarHBondContact O-N 2.85Å; Y49-R53 PolarHBondContact OH-NH1 3.43Å; Y50-R53 PolarHBondContact O-N 3.31Å; N51-R53 VanDerWaalsContact C-N 3.28Å; N51-R53 PolarHBondContact O-N 3.37Å; R53-N55 VanDerWaalsContact C-N 3.28Å; R53-N55 PolarHBondContact O-N 2.84Å; R53-D349 IonicContact NH1-OD1 2.72Å; R53-Y390 PolarHBondContact NH1-O 2.81Å; R53-Y390 PolarHBondContact NH2-O 3.18Å
54	N	54.4	Low	48.4	Very low	105 Å²	105	114.2 Å²	114.2	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-67.6	-25.3	178.7	-80.4	-21.4	0	0	0	113.6	Y50 N51 K56	Y50-N54 WeakPolarHBondContact CE1-ND2 3.17Å; Y50-N54 PolarHBondContact O-N 3.11Å; N51-N54 PolarHBondContact O-N 2.95Å; N54-K56 PolarHBondContact O-N 3.18Å
55	N	52.8	Low	49.5	Very low	143 Å²	143	111.4 Å²	111.4	77%	0.765	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.3	-176.6	-82	-22	0	0	0	115	N51 Y52 R53 K57	N51-N55 PolarHBondContact O-N 3.43Å; Y52-N55 PolarHBondContact O-N 3.27Å; R53-N55 VanDerWaalsContact C-N 3.28Å; R53-N55 PolarHBondContact O-N 2.84Å; N55-K57 PolarHBondContact O-N 3.39Å
56	K	47.3	Very low	50.5	Low	127 Å²	127	113.5 Å²	113.5	55%	0.552	52%	0.517	S	S	*	.			trans	-93.6	89	-176.8	-147.6	178.3	-179.3	177.1	0	111.9	N54 N58	N54-K56 PolarHBondContact O-N 3.18Å; K56-N58 PolarHBondContact O-N 2.97Å; K56-N58 VanDerWaalsContact O-N 3.08Å
57	K	43.3	Very low	51.8	Low	201 Å²	201	114.3 Å²	114.3	87%	0.874	52%	0.523	S	S	*	.			trans	-66.6	97.2	165.2	-79	-177.2	176.1	178.5	0	109.8	N55 Y59	N55-K57 PolarHBondContact O-N 3.39Å; K57-Y59 PolarHBondContact O-N 3.2Å
58	N	48.8	Very low	52.7	Low	81 Å²	81	108.5 Å²	108.5	43%	0.433	50%	0.496	S	S	.	.			trans	-96.2	87.2	179.6	-79.2	-29.8	0	0	0	111.9	K56 L60 S61	K56-N58 PolarHBondContact O-N 2.97Å; K56-N58 VanDerWaalsContact O-N 3.08Å; N58-L60 PolarHBondContact O-N 2.89Å; N58-S61 PolarHBondContact O-N 3.18Å; N58-S61 PolarHBondContact O-OG 3.3Å
59	Y	42.4	Very low	53.4	Low	207 Å²	207	103.5 Å²	103.5	81%	0.812	47%	0.474	S	S	*	.	H	α-helix	trans	-53.9	-21.2	175.5	-116.9	-90.7	0	0	0	115	K57	K57-Y59 PolarHBondContact O-N 3.2Å
60	L	40.2	Very low	54.3	Low	149 Å²	149	108.8 Å²	108.8	78%	0.78	50%	0.498	S	S	*	.	H	α-helix	trans	-83.8	-25.8	179.5	-159.1	73.2	0	0	0	112.9	N58 D62	N58-L60 PolarHBondContact O-N 2.89Å; L60-D62 VanDerWaalsContact C-N 3.32Å
61	S	56.1	Low	55	Low	18 Å²	18	106.6 Å²	106.6	13%	0.126	50%	0.495	C	S	.	.	H	α-helix	trans	-71.5	-32.5	177.8	79.9	0	0	0	0	111.2	N58 K63 L64 R65 D394	N58-S61 PolarHBondContact O-N 3.18Å; N58-S61 PolarHBondContact O-OG 3.3Å; S61-K63 PolarHBondContact O-N 3.48Å; S61-L64 PolarHBondContact O-N 3.48Å; S61-R65 WeakPolarHBondContact O-CB 3.17Å; S61-R65 PolarHBondContact O-N 3.33Å; S61-D394 WeakPolarHBondContact CB-OD1 3.49Å; S61-D394 VanDerWaalsContact OG-CG 3.22Å; S61-D394 PolarHBondContact OG-OD1 3.32Å
62	D	57.4	Low	55.5	Low	69 Å²	69	103 Å²	103	37%	0.369	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-45.7	-179	-69.2	-35.5	0	0	0	112.6	L60 R65 E66	L60-D62 VanDerWaalsContact C-N 3.32Å; D62-R65 PolarHBondContact O-N 3Å; D62-E66 WeakPolarHBondContact O-CB 3.46Å; D62-E66 WeakPolarHBondContact O-CG 3.23Å; D62-E66 PolarHBondContact O-N 3.33Å
63	K	58.7	Low	55.9	Low	159 Å²	159	95.8 Å²	95.8	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-65.9	-40.9	178	-77.4	-169.1	178.4	-177.7	0	113	S61 F67	S61-K63 PolarHBondContact O-N 3.48Å; K63-F67 WeakPolarHBondContact O-CB 3.41Å; K63-F67 PolarHBondContact O-N 3.02Å
64	L	59.4	Low	56.3	Low	72 Å²	72	96.5 Å²	96.5	38%	0.377	46%	0.46	S	S	.	.	H	α-helix	trans	-67.4	-42.4	177	179.3	60.3	0	0	0	110.4	S61 F67 I68 M398	S61-L64 PolarHBondContact O-N 3.48Å; L64-F67 PolarHBondContact O-N 2.99Å; L64-I68 HydrophobicContact CD1-CD1 3.95Å; L64-I68 HydrophobicContact CD1-CG1 4.18Å; L64-I68 HydrophobicContact CG-CD1 3.82Å; L64-I68 HydrophobicContact CG-CG1 4.45Å; L64-I68 VanDerWaalsContact O-CG1 3.26Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.37Å; L64-M398 HydrophobicContact CD2-CE 4.25Å; L64-M398 HydrophobicContact CD2-CG 4.3Å
65	R	61.1	Low	56	Low	71 Å²	71	93.8 Å²	93.8	27%	0.268	45%	0.449	S	S	.	.	H	α-helix	trans	-59.6	-47.7	174	175.5	170.6	166.6	-121.1	4.9	111	S61 D62 F67 I68 V69 H179 D394 Y397	S61-R65 WeakPolarHBondContact O-CB 3.17Å; S61-R65 PolarHBondContact O-N 3.33Å; D62-R65 PolarHBondContact O-N 3Å; R65-F67 VanDerWaalsContact C-N 3.34Å; R65-F67 PolarHBondContact O-N 3.24Å; R65-I68 PolarHBondContact O-N 3.11Å; R65-V69 HydrophobicContact CG-CG2 4.29Å; R65-V69 WeakPolarHBondContact O-CB 3.47Å; R65-V69 WeakPolarHBondContact O-CG2 3.14Å; R65-V69 PolarHBondContact O-N 2.89Å; R65-H179 PolarHBondContact NH2-CE1 3.05Å; R65-H179 PolarHBondContact NH2-NE2 3.24Å; R65-D394 WeakPolarHBondContact CD-OD1 3.33Å; R65-Y397 HydrophobicContact CG-CD2 3.9Å; R65-Y397 HydrophobicContact CG-CE2 4.27Å
66	E	65.1	Low	55.6	Low	133 Å²	133	92.6 Å²	92.6	62%	0.621	44%	0.442	S	S	*	.	H	α-helix	trans	-58.4	-44.2	174.3	-79.4	-178.9	178.4	0	0	111.9	D62 V69 K70	D62-E66 WeakPolarHBondContact O-CB 3.46Å; D62-E66 WeakPolarHBondContact O-CG 3.23Å; D62-E66 PolarHBondContact O-N 3.33Å; E66-V69 PolarHBondContact O-N 3.36Å; E66-K70 WeakPolarHBondContact O-CB 3.01Å; E66-K70 PolarHBondContact O-N 3.11Å
67	F	67.5	Low	55.3	Low	111 Å²	111	90.2 Å²	90.2	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-46.8	176.3	177	-91.8	0	0	0	111.7	K63 L64 R65 N71	K63-F67 WeakPolarHBondContact O-CB 3.41Å; K63-F67 PolarHBondContact O-N 3.02Å; L64-F67 PolarHBondContact O-N 2.99Å; R65-F67 VanDerWaalsContact C-N 3.34Å; R65-F67 PolarHBondContact O-N 3.24Å; F67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; F67-N71 WeakPolarHBondContact CE2-ND2 3.49Å; F67-N71 HydrophobicContact CZ-CB 4.48Å; F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.17Å; F67-N71 PolarHBondContact O-N 3.39Å; F67-N71 PolarHBondContact O-ND2 3.03Å
68	I	61.2	Low	54.9	Low	1 Å²	1	83.9 Å²	83.9	1%	0.005	42%	0.423	C	S	.	.	H	α-helix	trans	-67.1	-45.3	180	-63.8	166.1	0	0	0	110.3	L64 R65 K70 I72 A73 Y397	L64-I68 HydrophobicContact CD1-CD1 3.95Å; L64-I68 HydrophobicContact CD1-CG1 4.18Å; L64-I68 HydrophobicContact CG-CD1 3.82Å; L64-I68 HydrophobicContact CG-CG1 4.45Å; L64-I68 VanDerWaalsContact O-CG1 3.26Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.37Å; R65-I68 PolarHBondContact O-N 3.11Å; I68-K70 PolarHBondContact O-N 3.37Å; I68-I72 HydrophobicContact CB-CD1 4.31Å; I68-I72 HydrophobicContact CG1-CD1 4.14Å; I68-I72 HydrophobicContact CG2-CB 4.07Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 HydrophobicContact CG2-CG2 4.36Å; I68-I72 WeakPolarHBondContact O-CA 3.42Å; I68-I72 VanDerWaalsContact O-CB 3.24Å; I68-I72 WeakPolarHBondContact O-CB 3.31Å; I68-I72 PolarHBondContact O-N 2.83Å; I68-A73 PolarHBondContact O-N 3.27Å; I68-Y397 HydrophobicContact CG2-CD1 3.79Å; I68-Y397 HydrophobicContact CG2-CG 4.14Å
69	V	63.7	Low	54.2	Low	28 Å²	28	84.3 Å²	84.3	17%	0.17	43%	0.432	C	S	.	.	I	π-helix	trans	-57.7	-51	177.2	171.9	0	0	0	0	110.4	R65 E66 A73 D74 Y397	R65-V69 HydrophobicContact CG-CG2 4.29Å; R65-V69 WeakPolarHBondContact O-CB 3.47Å; R65-V69 WeakPolarHBondContact O-CG2 3.14Å; R65-V69 PolarHBondContact O-N 2.89Å; E66-V69 PolarHBondContact O-N 3.36Å; V69-A73 PolarHBondContact O-N 2.81Å; V69-D74 WeakPolarHBondContact O-CB 3.46Å; V69-D74 PolarHBondContact O-N 3.34Å; V69-Y397 HydrophobicContact CG2-CD1 4.12Å; V69-Y397 HydrophobicContact CG2-CD2 4.16Å; V69-Y397 HydrophobicContact CG2-CE1 3.63Å; V69-Y397 HydrophobicContact CG2-CE2 3.68Å; V69-Y397 HydrophobicContact CG2-CG 4.38Å
70	K	64.7	Low	53.8	Low	161 Å²	161	80.9 Å²	80.9	70%	0.7	43%	0.426	S	S	*	.	I	π-helix	trans	-69	-36.5	-174.4	-175.7	177.7	179.2	179.7	0	113.8	E66 I68	E66-K70 WeakPolarHBondContact O-CB 3.01Å; E66-K70 PolarHBondContact O-N 3.11Å; I68-K70 PolarHBondContact O-N 3.37Å
71	N	59.7	Low	53.3	Low	78 Å²	78	80.4 Å²	80.4	42%	0.417	42%	0.423	S	S	.	.	I	π-helix	trans	-108.3	-16.8	-169.8	-59.6	-77.3	0	0	0	114.3	F67 S75	F67-N71 WeakPolarHBondContact CD2-ND2 3.4Å; F67-N71 WeakPolarHBondContact CE2-ND2 3.49Å; F67-N71 HydrophobicContact CZ-CB 4.48Å; F67-N71 VanDerWaalsContact O-CB 3.31Å; F67-N71 WeakPolarHBondContact O-CB 3.17Å; F67-N71 PolarHBondContact O-N 3.39Å; F67-N71 PolarHBondContact O-ND2 3.03Å; N71-S75 PolarHBondContact O-OG 3.34Å
72	I	61.8	Low	52	Low	14 Å²	14	85.5 Å²	85.5	7%	0.072	45%	0.448	C	S	.	.	I	π-helix	trans	-122.5	-49.1	-173.3	-66.8	162.7	0	0	0	111.5	I68 S75 E400 Y401 H405	I68-I72 HydrophobicContact CB-CD1 4.31Å; I68-I72 HydrophobicContact CG1-CD1 4.14Å; I68-I72 HydrophobicContact CG2-CB 4.07Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 HydrophobicContact CG2-CG2 4.36Å; I68-I72 WeakPolarHBondContact O-CA 3.42Å; I68-I72 VanDerWaalsContact O-CB 3.24Å; I68-I72 WeakPolarHBondContact O-CB 3.31Å; I68-I72 PolarHBondContact O-N 2.83Å; I72-S75 PolarHBondContact O-OG 2.72Å; I72-E400 HydrophobicContact CG2-CG 4.41Å; I72-Y401 HydrophobicContact CD1-CD2 3.47Å; I72-Y401 VanDerWaalsContact CD1-CD2 3.47Å; I72-Y401 HydrophobicContact CD1-CE2 4.16Å; I72-Y401 HydrophobicContact CD1-CG 4.29Å; I72-H405 WeakPolarHBondContact CG2-NE2 3.12Å
73	A	59.4	Low	50.6	Low	14 Å²	14	86.3 Å²	86.3	12%	0.116	46%	0.459	C	S	.	.	I	π-helix	trans	-78.3	-40	-176.2	0	0	0	0	0	112.1	I68 V69 K182 Y397	I68-A73 PolarHBondContact O-N 3.27Å; V69-A73 PolarHBondContact O-N 2.81Å; A73-K182 HydrophobicContact CB-CB 4.26Å; A73-Y397 HydrophobicContact CB-CD1 4.41Å; A73-Y397 HydrophobicContact CB-CE1 3.83Å
74	D	56.9	Low	49	Very low	85 Å²	85	90.1 Å²	90.1	46%	0.455	47%	0.469	S	S	.	.	S	Bend	trans	-86.8	-6.5	177.6	-67.6	-14.8	0	0	0	112.7	V69 D76 K182	V69-D74 WeakPolarHBondContact O-CB 3.46Å; V69-D74 PolarHBondContact O-N 3.34Å; D74-D76 VanDerWaalsContact C-N 3.34Å; D74-D76 PolarHBondContact O-N 3.21Å; D74-K182 WeakPolarHBondContact OD1-CE 3.49Å; D74-K182 IonicContact OD1-NZ 2.71Å; D74-K182 PolarHBondContact OD1-NZ 3.04Å; D74-K182 IonicContact OD2-NZ 3.73Å; D74-K182 PolarHBondContact OD2-NZ 2.87Å
75	S	48.8	Very low	47.5	Very low	48 Å²	48	91.2 Å²	91.2	34%	0.336	48%	0.483	S	S	.	.	S	Bend	trans	-71.5	97.7	169.4	67.5	0	0	0	0	108.2	N71 I72 S77	N71-S75 PolarHBondContact O-OG 3.34Å; I72-S75 PolarHBondContact O-OG 2.72Å; S75-S77 PolarHBondContact O-N 3.05Å
76	D	44.7	Very low	45.9	Very low	117 Å²	117	94.8 Å²	94.8	63%	0.626	51%	0.512	S	S	*	.			trans	-30.9	117.4	174	-141.4	22.6	0	0	0	110.6	D74 S78 S79	D74-D76 VanDerWaalsContact C-N 3.34Å; D74-D76 PolarHBondContact O-N 3.21Å; D76-S78 WeakPolarHBondContact CB-OG 3.1Å; D76-S78 PolarHBondContact O-N 2.95Å; D76-S78 PolarHBondContact O-OG 3.24Å; D76-S78 PolarHBondContact OD2-OG 3.02Å; D76-S79 PolarHBondContact O-N 3.28Å; D76-S79 PolarHBondContact O-OG 3.43Å
77	S	40.6	Very low	44.1	Very low	77 Å²	77	92.1 Å²	92.1	54%	0.538	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-56.4	-6.5	179.2	6.8	0	0	0	0	113.3	S75 S79	S75-S77 PolarHBondContact O-N 3.05Å; S77-S79 VanDerWaalsContact C-N 3.25Å; S77-S79 PolarHBondContact O-N 3.29Å
78	S	34.3	Very low	42	Very low	68 Å²	68	92.3 Å²	92.3	48%	0.476	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-68.1	-12.3	166.8	54	0	0	0	0	114.2	D76 I81	D76-S78 WeakPolarHBondContact CB-OG 3.1Å; D76-S78 PolarHBondContact O-N 2.95Å; D76-S78 PolarHBondContact O-OG 3.24Å; D76-S78 PolarHBondContact OD2-OG 3.02Å; S78-I81 WeakPolarHBondContact O-CG1 3.3Å; S78-I81 PolarHBondContact O-N 3.15Å
79	S	34	Very low	40.5	Very low	90 Å²	90	98.3 Å²	98.3	63%	0.629	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-81.8	-12	174.4	58	0	0	0	0	114.3	D76 S77 I81	D76-S79 PolarHBondContact O-N 3.28Å; D76-S79 PolarHBondContact O-OG 3.43Å; S77-S79 VanDerWaalsContact C-N 3.25Å; S77-S79 PolarHBondContact O-N 3.29Å; S79-I81 PolarHBondContact O-N 3.12Å
80	I	35.5	Very low	38.7	Very low	135 Å²	135	104.8 Å²	104.8	69%	0.692	60%	0.599	S	S	*	*	S	Bend	trans	-81.7	66.6	154.7	-52.3	176.7	0	0	0	106.4	I82	I80-I82 PolarHBondContact O-N 2.92Å
81	I	29.5	Very low	37.1	Very low	140 Å²	140	106 Å²	106	72%	0.718	61%	0.607	S	S	*	*			trans	-67.7	98.5	162.7	-59.6	-173.2	0	0	0	105.3	S78 S79 S83	S78-I81 WeakPolarHBondContact O-CG1 3.3Å; S78-I81 PolarHBondContact O-N 3.15Å; S79-I81 PolarHBondContact O-N 3.12Å; I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.13Å
82	I	28.8	Very low	35.7	Very low	124 Å²	124	109.7 Å²	109.7	64%	0.636	63%	0.626	S	S	*	*			trans	-46.5	99.5	156	-60.1	171.9	0	0	0	105.8	I80 R84	I80-I82 PolarHBondContact O-N 2.92Å; I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 3.28Å
83	S	26.8	Very low	34.1	Very low	87 Å²	87	119.2 Å²	119.2	61%	0.608	66%	0.663	S	S	*	*			trans	-63.3	97.2	169.7	44.7	0	0	0	0	106.9	I81 S85	I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.13Å; S83-S85 PolarHBondContact O-N 3.25Å
84	R	25.7	Very low	32.8	Very low	239 Å²	239	125.4 Å²	125.4	90%	0.902	69%	0.694	S	S	*	*			trans	-63	84.3	160.9	-79.7	179.2	173	172.4	-2.3	107.4	I82	I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 3.28Å
85	S	29	Very low	31.7	Very low	95 Å²	95	127.8 Å²	127.8	66%	0.664	71%	0.707	S	S	*	*			trans	-103.6	91.9	158.1	61.1	0	0	0	0	107.8	S83 A87	S83-S85 PolarHBondContact O-N 3.25Å; S85-A87 PolarHBondContact O-N 3.39Å
86	T	25.6	Very low	30.9	Very low	145 Å²	145	131.6 Å²	131.6	89%	0.89	72%	0.724	S	S	*	*			trans	-63.5	93.6	150.2	44.1	0	0	0	0	106.9
87	A	27.8	Very low	30.5	Very low	78 Å²	78	132.6 Å²	132.6	65%	0.645	73%	0.729	S	S	*	*			trans	-123	93	165.1	0	0	0	0	0	106.9	S85 T89	S85-A87 PolarHBondContact O-N 3.39Å; A87-T89 PolarHBondContact O-N 2.91Å
88	S	24.7	Very low	30	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	74%	0.74	S	S	*	*			trans	-57.8	119.1	158.6	49.9	0	0	0	0	108.9
89	T	28.6	Very low	30	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	76%	0.755	S	S	*	*			trans	-153.5	118.7	151.5	29.7	0	0	0	0	110.4	A87	A87-T89 PolarHBondContact O-N 2.91Å
90	N	26.5	Very low	29.8	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	76%	0.755	S	S	*	*			trans	-53	132.8	168.8	-65.1	-35.6	0	0	0	110.7
91	H	30.6	Very low	29.5	Very low	188 Å²	188	143 Å²	143	87%	0.87	76%	0.757	S	S	*	*			trans	-103.2	97.4	157.7	-92.9	-56.1	0	0	0	108.4
92	N	31.5	Very low	29.5	Very low	154 Å²	154	143 Å²	143	82%	0.824	76%	0.756	S	S	*	*			trans	-87.3	136.5	154.3	-99	-5.8	0	0	0	108.6
93	Y	26.7	Very low	29.5	Very low	214 Å²	214	142.1 Å²	142.1	84%	0.839	76%	0.757	S	S	*	*			trans	-46.5	130.7	161.9	-92.9	-107	0	0	0	111.9
94	D	33.2	Very low	29.7	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	77%	0.768	S	S	*	*				162.4	130.5	112	-90.9	-22.1	0	0	0	113.6
95	D	33.1	Very low	29.9	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	76%	0.76	S	S	*	*			trans	26.5	124.1	143.1	-107.8	5.2	0	0	0	124
96	N	32.8	Very low	30.4	Very low	129 Å²	129	138.8 Å²	138.8	69%	0.69	76%	0.761	S	S	*	*			trans	70.2	130	132.3	-71.1	-36.8	0	0	0	123.7
97	N	34.5	Very low	30.7	Very low	137 Å²	137	137.9 Å²	137.9	73%	0.733	76%	0.756	S	S	*	*			trans	98.4	97.8	148.6	-80.9	-30.5	0	0	0	122.3
98	K	31.6	Very low	30.9	Very low	177 Å²	177	139.1 Å²	139.1	77%	0.77	76%	0.755	S	S	*	*				56	128.1	118.7	-88.8	177.3	178.8	166.4	0	122.7
99	K	33.1	Very low	31.5	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	75%	0.75	S	S	*	*			trans	74.1	141.6	143.7	-73.5	-178.7	174.1	-175.4	0	116.3
100	S	30.5	Very low	31.8	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	75%	0.746	S	S	*	*			cis	177.1	164.7	1	41.7	0	0	0	0	108.9
101	L	29.4	Very low	32.2	Very low	139 Å²	139	141.2 Å²	141.2	73%	0.728	74%	0.737	S	S	*	*			trans	87.4	116.2	161.8	-69.8	120	0	0	0	118.2
102	I	29.1	Very low	32.4	Very low	138 Å²	138	139.8 Å²	139.8	71%	0.708	74%	0.735	S	S	*	*				72.4	124.1	70.2	-71.2	171.2	0	0	0	109.2
103	T	29.3	Very low	32.4	Very low	106 Å²	106	140 Å²	140	65%	0.65	74%	0.736	S	S	*	*			cis	-177.8	163.3	20.5	20.6	0	0	0	0	111.8
104	N	30.9	Very low	32.9	Very low	156 Å²	156	135.6 Å²	135.6	83%	0.834	74%	0.737	S	S	*	*			trans	85.6	127.6	141.5	-63.7	-13.7	0	0	0	123.1
105	A	30.3	Very low	32.8	Very low	90 Å²	90	138 Å²	138	74%	0.744	74%	0.741	S	S	*	*			trans	-86.9	-150.3	172.9	0	0	0	0	0	111.3
106	P	37.9	Very low	32.8	Very low	106 Å²	106	140 Å²	140	69%	0.688	75%	0.752	S	S	*	*			cis	-134	-176.4	-30.1	27.4	-4.5	0	0	0	112.4
107	T	33.2	Very low	32.6	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	76%	0.758	S	S	*	*				157.4	126.2	124.4	40.6	0	0	0	0	116.9
108	T	32	Very low	32.3	Very low	104 Å²	104	145.1 Å²	145.1	64%	0.638	76%	0.764	S	S	*	*			trans	28	136.8	139.9	45.4	0	0	0	0	124.9
109	H	36.3	Very low	32.2	Very low	150 Å²	150	142.3 Å²	142.3	69%	0.694	77%	0.767	S	S	*	*				174.3	139.9	97.1	-89.2	-63	0	0	0	114.9
110	H	35.3	Very low	32	Very low	148 Å²	148	143.6 Å²	143.6	69%	0.685	77%	0.772	S	S	*	*			trans	47.8	150.4	140.6	-67.5	-58.7	0	0	0	121.7
111	H	35	Very low	32.1	Very low	151 Å²	151	150.9 Å²	150.9	70%	0.699	79%	0.786	S	S	*	*			cis	-168.6	164.7	12.2	-133.8	-67.1	0	0	0	109.4
112	L	35.6	Very low	32.1	Very low	158 Å²	158	153.5 Å²	153.5	83%	0.827	79%	0.791	S	S	*	*			trans	107.8	119.9	144.4	-76.4	148.6	0	0	0	121.6
113	N	30	Very low	32.4	Very low	157 Å²	157	154.2 Å²	154.2	84%	0.84	80%	0.797	S	S	*	*			trans	-63.7	150.1	178	-77.8	-41.8	0	0	0	115.8
114	S	36.7	Very low	32.5	Very low	123 Å²	123	159.8 Å²	159.8	86%	0.86	81%	0.806	S	S	*	*				-154.3	146.2	122.9	88.8	0	0	0	0	112
115	K	31.1	Very low	32.6	Very low	194 Å²	194	160.5 Å²	160.5	84%	0.843	80%	0.804	S	S	*	*			trans	-82.1	139.6	-167.9	-68.6	165	173.5	169.8	0	111.5
116	N	34.6	Very low	32.8	Very low	178 Å²	178	164.2 Å²	164.2	95%	0.952	81%	0.806	S	S	*	*			trans	-152.5	137.2	137.8	-102.1	-20.6	0	0	0	112.4
117	K	28.5	Very low	32.4	Very low	189 Å²	189	165.7 Å²	165.7	82%	0.822	81%	0.806	S	S	*	*			trans	-87	162.7	-167.3	-88.3	175.2	171.5	175.9	0	112.4
118	Q	28.9	Very low	32.3	Very low	183 Å²	183	166.6 Å²	166.6	86%	0.855	81%	0.805	S	S	*	*			trans	81.4	90.9	156.8	-77	155.8	-31.8	0	0	119.1
119	S	28.8	Very low	32	Very low	119 Å²	119	166.9 Å²	166.9	83%	0.832	81%	0.807	S	S	*	*				179.2	102.1	84.7	63.8	0	0	0	0	110.3	R121	S119-R121 PolarHBondContact O-N 3.03Å
120	K	28.6	Very low	31.8	Very low	211 Å²	211	166.3 Å²	166.3	92%	0.917	81%	0.807	S	S	*	*			trans	-90.1	95.2	173.2	-83.4	-174.7	176.1	179.9	0	109.5	K122	K120-K122 PolarHBondContact O-N 3.46Å
121	R	32.6	Very low	31.6	Very low	242 Å²	242	165.1 Å²	165.1	91%	0.913	81%	0.811	S	S	*	*			trans	-71.8	107.7	157	-119.9	177.8	177.4	172.7	-0.9	107.1	S119 N123	S119-R121 PolarHBondContact O-N 3.03Å; R121-N123 PolarHBondContact O-N 3.37Å
122	K	29.9	Very low	31.7	Very low	194 Å²	194	165 Å²	165	84%	0.843	82%	0.815	S	S	*	*			trans	-64.2	107.4	174.1	-83.5	178.5	172.2	177.7	0	109.2	K120 R124	K120-K122 PolarHBondContact O-N 3.46Å; K122-R124 PolarHBondContact O-N 2.49Å
123	N	34	Very low	31.7	Very low	153 Å²	153	162.6 Å²	162.6	82%	0.818	81%	0.812	S	S	*	*			trans	-66.8	109.8	155.5	-82.1	-9.4	0	0	0	107.1	R121 E125	R121-N123 PolarHBondContact O-N 3.37Å; N123-E125 PolarHBondContact O-N 2.57Å
124	R	31.6	Very low	32.2	Very low	223 Å²	223	160.4 Å²	160.4	84%	0.842	81%	0.806	S	S	*	*			trans	-74.3	102.2	167.5	-86.9	-178.8	168.9	167.8	-3.2	107.4	K122 H126	K122-R124 PolarHBondContact O-N 2.49Å; R124-H126 PolarHBondContact O-N 3.2Å
125	E	34.3	Very low	32.3	Very low	171 Å²	171	163.7 Å²	163.7	80%	0.799	81%	0.805	S	S	*	*			trans	-71.6	115	163.6	-70.5	176.8	169.2	0	0	108.2	N123 I127	N123-E125 PolarHBondContact O-N 2.57Å; E125-I127 PolarHBondContact O-N 3.46Å
126	H	33.2	Very low	32.5	Very low	168 Å²	168	161.7 Å²	161.7	78%	0.778	80%	0.804	S	S	*	*			trans	-81.3	98.9	167.5	-85.1	-72.1	0	0	0	108.3	R124 I128	R124-H126 PolarHBondContact O-N 3.2Å; H126-I128 PolarHBondContact O-N 2.95Å
127	I	30	Very low	32.4	Very low	137 Å²	137	160.2 Å²	160.2	70%	0.703	80%	0.802	S	S	*	*			trans	-74.2	112	166.2	-61.4	174.9	0	0	0	106.9	E125	E125-I127 PolarHBondContact O-N 3.46Å
128	I	30.7	Very low	32.7	Very low	146 Å²	146	156.8 Å²	156.8	75%	0.749	80%	0.797	S	S	*	*			trans	-92.9	104.2	167.9	-58.3	176.1	0	0	0	106.7	H126 I130	H126-I128 PolarHBondContact O-N 2.95Å; I128-I130 HydrophobicContact CG2-CG1 4.05Å
129	T	26.3	Very low	33	Very low	110 Å²	110	154.7 Å²	154.7	68%	0.675	80%	0.796	S	S	*	*			trans	-89	106.2	173.4	-40.3	0	0	0	0	108.5	T131	T129-T131 HydrophobicContact CG2-CG2 4.34Å
130	I	32.2	Very low	33.5	Very low	137 Å²	137	156.3 Å²	156.3	70%	0.703	79%	0.794	S	S	*	*			trans	-90.9	105.3	169.3	-54.8	177.7	0	0	0	107.2	I128 N132	I128-I130 HydrophobicContact CG2-CG1 4.05Å; I130-N132 PolarHBondContact O-N 3.32Å
131	T	30	Very low	33.9	Very low	123 Å²	123	151.7 Å²	151.7	76%	0.755	78%	0.78	S	S	*	*			trans	-84.8	103.9	172.9	49.1	0	0	0	0	109.9	T129	T129-T131 HydrophobicContact CG2-CG2 4.34Å
132	N	38	Very low	34.5	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	78%	0.775	S	S	*	*			trans	-118.3	134.8	161.1	-79.7	-17.3	0	0	0	109.1	I130	I130-N132 PolarHBondContact O-N 3.32Å
133	S	36	Very low	34.9	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	77%	0.767	S	S	*	*	S	Bend	trans	-64.1	171.9	-175.4	-157.5	0	0	0	0	114	F135	S133-F135 PolarHBondContact O-N 3.4Å
134	P	40	Very low	35.1	Very low	112 Å²	112	144.1 Å²	144.1	73%	0.727	77%	0.765	S	S	*	*	S	Bend		-75.6	92.7	-115.1	35.7	-16.2	0	0	0	112.3
135	F	38.2	Very low	35.7	Very low	191 Å²	191	139.9 Å²	139.9	84%	0.838	76%	0.759	S	S	*	*	S	Bend	trans	-134.7	122.6	162.8	-78	-82.6	0	0	0	108.1	S133 T137	S133-F135 PolarHBondContact O-N 3.4Å; F135-T137 PolarHBondContact O-N 3.2Å
136	N	35.6	Very low	36.5	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	75%	0.752	S	S	*	*			trans	-0.5	107.7	176.2	-74	-16.2	0	0	0	115.2	T138	N136-T138 PolarHBondContact O-N 3.41Å; N136-T138 PolarHBondContact O-OG1 3.39Å
137	T	31.9	Very low	37.5	Very low	148 Å²	148	137.4 Å²	137.4	91%	0.908	75%	0.75	S	S	*	*			trans	-56.6	91.4	164.3	37.8	0	0	0	0	109	F135 T139	F135-T137 PolarHBondContact O-N 3.2Å; T137-T139 PolarHBondContact O-N 3.5Å
138	T	35.3	Very low	39.4	Very low	117 Å²	117	134.8 Å²	134.8	72%	0.718	74%	0.737	S	S	*	*			trans	-83	108.9	166.8	-35.3	0	0	0	0	104.3	N136 I140	N136-T138 PolarHBondContact O-N 3.41Å; N136-T138 PolarHBondContact O-OG1 3.39Å; T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 3.44Å
139	T	36.1	Very low	41.5	Very low	138 Å²	138	133.9 Å²	133.9	85%	0.847	73%	0.734	S	S	*	*			trans	-58.4	98.5	172.3	12.4	0	0	0	0	108	T137 N141	T137-T139 PolarHBondContact O-N 3.5Å; T139-N141 PolarHBondContact O-N 2.85Å
140	I	39.7	Very low	44.1	Very low	153 Å²	153	130.6 Å²	130.6	79%	0.785	72%	0.718	S	S	*	*			trans	-66.2	108.6	171.6	-58.6	175.8	0	0	0	105.4	T138 P142	T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 3.44Å; I140-P142 VanDerWaalsContact O-CD 3.23Å; I140-P142 WeakPolarHBondContact O-CD 3.22Å
141	N	37.1	Very low	46.7	Very low	115 Å²	115	127.9 Å²	127.9	62%	0.615	70%	0.704	S	S	*	*			trans	-56.7	113.9	176.9	-163.4	-12	0	0	0	107.7	T139 K143	T139-N141 PolarHBondContact O-N 2.85Å; N141-K143 PolarHBondContact O-N 3.48Å
142	P	43.5	Very low	49.4	Very low	126 Å²	126	126.1 Å²	126.1	82%	0.818	69%	0.685	S	S	*	*	S	Bend	trans	-68.4	-4.1	-173.1	26.3	-32.7	0	0	0	112.7	I140	I140-P142 VanDerWaalsContact O-CD 3.23Å; I140-P142 WeakPolarHBondContact O-CD 3.22Å
143	K	39	Very low	51.9	Low	153 Å²	153	120.3 Å²	120.3	67%	0.665	66%	0.655	S	S	*	*			trans	-97.6	71.9	168.5	-70.5	-179.4	177.3	177.4	0	110.3	N141 N145	N141-K143 PolarHBondContact O-N 3.48Å; K143-N145 PolarHBondContact O-N 3.33Å
144	L	38	Very low	54.5	Low	151 Å²	151	117.2 Å²	117.2	79%	0.791	63%	0.632	S	S	*	*			trans	-69.2	82.5	154.8	-167.3	77.5	0	0	0	107	I146	L144-I146 HydrophobicContact CD2-CG1 4.45Å; L144-I146 PolarHBondContact O-N 3.38Å
145	N	43.8	Very low	57.1	Low	133 Å²	133	117.6 Å²	117.6	71%	0.711	62%	0.622	S	S	*	*			trans	-73	98	172.2	-77	-10	0	0	0	107.1	K143 H147	K143-N145 PolarHBondContact O-N 3.33Å; N145-H147 PolarHBondContact O-N 3.08Å
146	I	51.4	Low	59.8	Low	126 Å²	126	108.8 Å²	108.8	65%	0.646	58%	0.584	S	S	*	*			trans	-65.6	100.2	169.2	-60.2	174.2	0	0	0	106.6	L144 I148	L144-I146 HydrophobicContact CD2-CG1 4.45Å; L144-I146 PolarHBondContact O-N 3.38Å; I146-I148 HydrophobicContact CG2-CG1 4.32Å; I146-I148 PolarHBondContact O-N 2.91Å
147	H	55.5	Low	62.6	Low	161 Å²	161	104.6 Å²	104.6	75%	0.745	56%	0.557	S	S	*	*			trans	-81	103.7	175.9	-162.7	-67.9	0	0	0	108.7	N145	N145-H147 PolarHBondContact O-N 3.08Å
148	I	68.4	Low	65.6	Low	82 Å²	82	105.8 Å²	105.8	42%	0.421	55%	0.55	S	S	.	.			trans	-80.4	119.7	168.7	-58	176.1	0	0	0	106.6	I146 A150	I146-I148 HydrophobicContact CG2-CG1 4.32Å; I146-I148 PolarHBondContact O-N 2.91Å; I148-A150 PolarHBondContact O-N 2.97Å
149	D	74.5	Confident	68.5	Low	127 Å²	127	106.7 Å²	106.7	68%	0.679	54%	0.544	S	S	*	.			trans	-67.3	106.9	168.9	-175.7	0.8	0	0	0	109.1	D151	D149-D151 WeakPolarHBondContact OD1-CB 3.36Å; D149-D151 PolarHBondContact OD1-N 3.26Å
150	A	82.8	Confident	71.4	Confident	41 Å²	41	100.4 Å²	100.4	34%	0.339	51%	0.505	S	S	.	.			trans	-114.2	14.5	178.5	0	0	0	0	0	111.6	I148 Y152 S153 T154	I148-A150 PolarHBondContact O-N 2.97Å; A150-Y152 VanDerWaalsContact C-N 3.31Å; A150-Y152 PolarHBondContact O-N 2.79Å; A150-S153 PolarHBondContact O-N 3.25Å; A150-S153 PolarHBondContact O-OG 3.42Å; A150-S153 VanDerWaalsContact O-OG 3.1Å; A150-T154 WeakPolarHBondContact O-CB 3.32Å; A150-T154 PolarHBondContact O-N 3.25Å; A150-T154 PolarHBondContact O-OG1 3.04Å
151	D	85.8	Confident	74.2	Confident	80 Å²	80	97.7 Å²	97.7	43%	0.428	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-44.4	-177.1	176.9	59.2	0	0	0	111.1	D149 T154 K155	D149-D151 WeakPolarHBondContact OD1-CB 3.36Å; D149-D151 PolarHBondContact OD1-N 3.26Å; D151-T154 PolarHBondContact O-N 2.96Å; D151-K155 WeakPolarHBondContact O-CG 3.42Å; D151-K155 PolarHBondContact O-N 3.38Å; D151-K155 WeakPolarHBondContact OD1-CE 3.45Å; D151-K155 IonicContact OD1-NZ 2.81Å; D151-K155 WeakPolarHBondContact OD2-CE 3.43Å; D151-K155 IonicContact OD2-NZ 3.27Å; D151-K155 PolarHBondContact OD2-NZ 2.92Å
152	Y	87.7	Confident	77.2	Confident	87 Å²	87	92.2 Å²	92.2	34%	0.341	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-51.5	179.5	-173.9	-108.1	0	0	0	112.9	A150 T154 K155 L156 N255 Q258	A150-Y152 VanDerWaalsContact C-N 3.31Å; A150-Y152 PolarHBondContact O-N 2.79Å; Y152-T154 VanDerWaalsContact C-N 3.29Å; Y152-T154 PolarHBondContact O-N 3.31Å; Y152-K155 WeakPolarHBondContact O-CB 3.34Å; Y152-K155 PolarHBondContact O-N 3.45Å; Y152-L156 HydrophobicContact CD1-CD1 4.04Å; Y152-L156 HydrophobicContact CE1-CD1 3.57Å; Y152-L156 HydrophobicContact CE1-CG 4.27Å; Y152-L156 PolarHBondContact O-N 2.79Å; Y152-L156 VanDerWaalsContact O-N 3.08Å; Y152-N255 PolarHBondContact OH-OD1 3.27Å; Y152-Q258 PolarHBondContact OH-NE2 3.47Å; Y152-Q258 PolarHBondContact OH-OE1 2.86Å
153	S	89.7	Confident	79.8	Confident	25 Å²	25	86.2 Å²	86.2	18%	0.175	42%	0.417	C	S	.	.	H	α-helix	trans	-62.7	-38.6	177.4	58.7	0	0	0	0	111.3	A150 K155 L156 Y157	A150-S153 PolarHBondContact O-N 3.25Å; A150-S153 PolarHBondContact O-OG 3.42Å; A150-S153 VanDerWaalsContact O-OG 3.1Å; S153-K155 PolarHBondContact O-N 2.93Å; S153-L156 WeakPolarHBondContact O-CB 3.23Å; S153-L156 PolarHBondContact O-N 2.72Å; S153-L156 VanDerWaalsContact O-N 3.17Å; S153-Y157 WeakPolarHBondContact O-CD2 3.39Å; S153-Y157 PolarHBondContact O-N 2.79Å
154	T	91.3	Very high	82.7	Confident	43 Å²	43	79 Å²	79	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.4	-60.2	0	0	0	0	111.9	A150 D151 Y152 Y157 K158	A150-T154 WeakPolarHBondContact O-CB 3.32Å; A150-T154 PolarHBondContact O-N 3.25Å; A150-T154 PolarHBondContact O-OG1 3.04Å; D151-T154 PolarHBondContact O-N 2.96Å; Y152-T154 VanDerWaalsContact C-N 3.29Å; Y152-T154 PolarHBondContact O-N 3.31Å; T154-Y157 PolarHBondContact O-N 3.42Å; T154-K158 HydrophobicContact CG2-CD 4.46Å; T154-K158 WeakPolarHBondContact O-CG 3.16Å; T154-K158 PolarHBondContact O-N 2.94Å; T154-K158 VanDerWaalsContact O-N 3.08Å
155	K	93.6	Very high	85.6	Confident	120 Å²	120	71.8 Å²	71.8	52%	0.522	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-43.1	173.5	-76	168.7	176.1	165.8	0	111.5	D151 Y152 S153 K158 K159	D151-K155 WeakPolarHBondContact O-CG 3.42Å; D151-K155 PolarHBondContact O-N 3.38Å; D151-K155 WeakPolarHBondContact OD1-CE 3.45Å; D151-K155 IonicContact OD1-NZ 2.81Å; D151-K155 WeakPolarHBondContact OD2-CE 3.43Å; D151-K155 IonicContact OD2-NZ 3.27Å; D151-K155 PolarHBondContact OD2-NZ 2.92Å; Y152-K155 WeakPolarHBondContact O-CB 3.34Å; Y152-K155 PolarHBondContact O-N 3.45Å; S153-K155 PolarHBondContact O-N 2.93Å; K155-K158 PolarHBondContact O-N 3.26Å; K155-K159 WeakPolarHBondContact O-CB 3.35Å; K155-K159 PolarHBondContact O-N 3.08Å; K155-K159 VanDerWaalsContact O-N 3.1Å
156	L	94.7	Very high	88.2	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-47	175.9	-67.6	177.7	0	0	0	112.2	Y152 S153 K158 K159 I160 L254 N255 Q258	Y152-L156 HydrophobicContact CD1-CD1 4.04Å; Y152-L156 HydrophobicContact CE1-CD1 3.57Å; Y152-L156 HydrophobicContact CE1-CG 4.27Å; Y152-L156 PolarHBondContact O-N 2.79Å; Y152-L156 VanDerWaalsContact O-N 3.08Å; S153-L156 WeakPolarHBondContact O-CB 3.23Å; S153-L156 PolarHBondContact O-N 2.72Å; S153-L156 VanDerWaalsContact O-N 3.17Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 3.49Å; L156-K159 PolarHBondContact O-N 3.22Å; L156-I160 HydrophobicContact CD2-CD1 4.42Å; L156-I160 PolarHBondContact O-N 2.71Å; L156-L254 HydrophobicContact CB-CB 4.11Å; L156-L254 HydrophobicContact CB-CD1 4.4Å; L156-L254 HydrophobicContact CD1-CB 4.26Å; L156-N255 HydrophobicContact CD1-CB 4.06Å; L156-Q258 HydrophobicContact CD2-CB 3.79Å; L156-Q258 HydrophobicContact CD2-CG 4.4Å
157	Y	94.5	Very high	90.4	Very high	64 Å²	64	60.3 Å²	60.3	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-33.4	177.7	-78.3	-61.3	0	0	0	113.2	S153 T154 R187 M250 E251 L254	S153-Y157 WeakPolarHBondContact O-CD2 3.39Å; S153-Y157 PolarHBondContact O-N 2.79Å; T154-Y157 PolarHBondContact O-N 3.42Å; Y157-R187 HydrophobicContact CE1-CB 4.49Å; Y157-R187 WeakPolarHBondContact CE1-O 3.45Å; Y157-M250 HydrophobicContact CE1-CB 4.49Å; Y157-M250 WeakPolarHBondContact OH-CB 3.42Å; Y157-E251 HydrophobicContact CE2-CG 4.09Å; Y157-E251 PolarHBondContact OH-OE1 2.81Å; Y157-L254 HydrophobicContact CD1-CD1 3.27Å; Y157-L254 HydrophobicContact CE1-CD1 3.29Å; Y157-L254 HydrophobicContact CE1-CG 4.47Å; Y157-L254 HydrophobicContact CG-CD1 3.91Å
158	K	95.1	Very high	92.4	Very high	172 Å²	172	52.7 Å²	52.7	75%	0.748	25%	0.252	S	S	*	.	H	α-helix	trans	-73.4	-31.4	174.4	-73.2	175.5	-178.7	175.1	0	112.9	T154 K155 L156	T154-K158 HydrophobicContact CG2-CD 4.46Å; T154-K158 WeakPolarHBondContact O-CG 3.16Å; T154-K158 PolarHBondContact O-N 2.94Å; T154-K158 VanDerWaalsContact O-N 3.08Å; K155-K158 PolarHBondContact O-N 3.26Å; L156-K158 VanDerWaalsContact C-N 3.27Å; L156-K158 PolarHBondContact O-N 3.49Å
159	K	96.2	Very high	93.8	Very high	137 Å²	137	51.5 Å²	51.5	60%	0.596	25%	0.245	S	C	*	.	H	α-helix	trans	-84	-35.5	-176.1	-176.2	-175.7	176.2	-168.5	0	112.7	K155 L156	K155-K159 WeakPolarHBondContact O-CB 3.35Å; K155-K159 PolarHBondContact O-N 3.08Å; K155-K159 VanDerWaalsContact O-N 3.1Å; L156-K159 PolarHBondContact O-N 3.22Å
160	I	98.2	Very high	94.8	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	22%	0.22	C	C	.	.			trans	-118.5	118.6	-167.4	-57.4	171.9	0	0	0	110.3	L156 Y238 L254 L257 Q258	L156-I160 HydrophobicContact CD2-CD1 4.42Å; L156-I160 PolarHBondContact O-N 2.71Å; I160-Y238 HydrophobicContact CG2-CD2 3.48Å; I160-Y238 VanDerWaalsContact CG2-CD2 3.48Å; I160-Y238 HydrophobicContact CG2-CE2 3.67Å; I160-L254 HydrophobicContact CB-CD2 4Å; I160-L254 HydrophobicContact CD1-CB 4.32Å; I160-L254 HydrophobicContact CD1-CD2 4.42Å; I160-L254 VanDerWaalsContact CD1-O 3.32Å; I160-L254 WeakPolarHBondContact CD1-O 3.46Å; I160-L254 HydrophobicContact CG2-CD2 3.66Å; I160-L257 HydrophobicContact CD1-CB 4.28Å; I160-Q258 HydrophobicContact CD1-CB 3.89Å
161	R	98.5	Very high	95.4	Very high	96 Å²	96	49.8 Å²	49.8	36%	0.362	23%	0.228	S	C	.	.			trans	-96	119.2	175.1	-58.9	171.2	-62.4	160.5	5.1	110	T189 D235 Y236 D237 Y238	R161-T189 WeakPolarHBondContact CA-OG1 3.41Å; R161-T189 HydrophobicContact CB-CG2 4.29Å; R161-T189 HydrophobicContact CG-CG2 4.45Å; R161-D235 PolarHBondContact NE-O 3.4Å; R161-D235 PolarHBondContact NH1-O 3.08Å; R161-Y236 HydrophobicContact CB-CD1 4.03Å; R161-D237 WeakPolarHBondContact CB-OD2 3.12Å; R161-D237 IonicContact CZ-OD1 2.6Å; R161-D237 PolarHBondContact N-OD2 3.37Å; R161-D237 IonicContact NE-OD1 3.37Å; R161-D237 IonicContact NE-OD2 3.73Å; R161-D237 PolarHBondContact NE-OD2 2.66Å; R161-D237 IonicContact NH2-OD1 3.51Å; R161-D237 PolarHBondContact NH2-OD1 3.07Å; R161-D237 IonicContact NH2-OD2 2.94Å; R161-D237 WeakPolarHBondContact O-CB 3.48Å; R161-D237 PolarHBondContact O-N 3.16Å; R161-Y238 PolarHBondContact O-N 2.9Å
162	I	98.7	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.6	-179.5	-169.1	161.6	0	0	0	111.9	T189 K190 Y238 L240 M250 L253 L254 L257	I162-T189 PolarHBondContact N-OG1 2.9Å; I162-T189 VanDerWaalsContact O-CB 3.28Å; I162-T189 WeakPolarHBondContact O-CB 3.44Å; I162-T189 PolarHBondContact O-N 3.17Å; I162-K190 PolarHBondContact O-N 3.1Å; I162-Y238 WeakPolarHBondContact CA-O 3.42Å; I162-L240 HydrophobicContact CD1-CB 4.02Å; I162-L240 HydrophobicContact CG1-CB 4.3Å; I162-M250 HydrophobicContact CD1-CE 4.15Å; I162-M250 HydrophobicContact CG2-CE 3.6Å; I162-L253 HydrophobicContact CD1-CD2 3.73Å; I162-L253 HydrophobicContact CD1-CG 4.46Å; I162-L254 HydrophobicContact CG2-CD2 4.14Å; I162-L257 HydrophobicContact CD1-CD1 3.79Å
163	L	98.8	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116	169.9	-172	156.7	0	0	0	109	Y165 K190 I192 I229 F232 Y236 Y238 F239 L240	L163-Y165 HydrophobicContact CD2-CD1 4.15Å; L163-K190 CarbonylContact C-O 3.53Å; L163-K190 WeakPolarHBondContact CA-O 3.13Å; L163-I192 HydrophobicContact CD1-CD1 4.16Å; L163-I229 HydrophobicContact CD2-CG2 4.3Å; L163-F232 HydrophobicContact CD1-CB 3.81Å; L163-F232 HydrophobicContact CD1-CD2 3.65Å; L163-F232 HydrophobicContact CD1-CE2 4.38Å; L163-F232 HydrophobicContact CD1-CG 3.75Å; L163-Y236 HydrophobicContact CB-CD1 3.88Å; L163-Y236 HydrophobicContact CB-CD2 3.93Å; L163-Y236 HydrophobicContact CB-CE1 4.24Å; L163-Y236 HydrophobicContact CB-CE2 4.33Å; L163-Y236 HydrophobicContact CB-CG 3.74Å; L163-Y236 HydrophobicContact CD1-CD2 3.9Å; L163-Y236 HydrophobicContact CD1-CE2 3.79Å; L163-Y238 PolarHBondContact N-O 3.12Å; L163-F239 HydrophobicContact CB-CD1 3.95Å; L163-F239 HydrophobicContact CB-CE1 4.12Å; L163-F239 HydrophobicContact CD1-CE1 4.26Å; L163-F239 HydrophobicContact CD2-CD1 4.29Å; L163-F239 HydrophobicContact CG-CD1 4.48Å; L163-F239 CarbonylContact O-C 3.57Å; L163-F239 VanDerWaalsContact O-CA 3.32Å; L163-F239 WeakPolarHBondContact O-CA 3.32Å; L163-L240 PolarHBondContact O-N 2.81Å
164	C	98.9	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.4	173.3	-58.2	0	0	0	0	109.5	I166 W184 C188 K190 H191 I192 L240	C164-I166 HydrophobicContact CB-CD1 4.24Å; C164-W184 HydrophobicContact CB-CH2 4.45Å; C164-W184 HydrophobicContact CB-CZ3 4.25Å; C164-C188 HydrophobicContact CB-CB 3.77Å; C164-C188 WeakPolarHBondContact CB-SG 3.24Å; C164-C188 WeakPolarHBondContact SG-CB 3.12Å; C164-C188 CovalentContact SG-SG 2.03Å; C164-C188 PolarHBondContact SG-SG 2.88Å; C164-K190 PolarHBondContact N-O 2.96Å; C164-H191 HydrophobicContact CB-CB 4.08Å; C164-H191 CarbonylContact O-C 3.52Å; C164-H191 WeakPolarHBondContact O-CA 3.44Å; C164-I192 PolarHBondContact O-N 3.22Å; C164-L240 CarbonylContact C-O 3.56Å; C164-L240 WeakPolarHBondContact CA-O 3.49Å
165	Y	98.7	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.4	174.1	60	-76.9	0	0	0	109.8	L163 I192 M194 F222 I225 I229 F239 L240 K241 T242 L289	L163-Y165 HydrophobicContact CD2-CD1 4.15Å; Y165-I192 WeakPolarHBondContact CA-O 3.29Å; Y165-M194 HydrophobicContact CG-CE 4.35Å; Y165-F222 HydrophobicContact CD2-CE1 4.41Å; Y165-F222 HydrophobicContact CE2-CD1 4.5Å; Y165-F222 AromaticContact CE2-CE1 3.82Å; Y165-F222 HydrophobicContact CE2-CE1 3.82Å; Y165-I225 HydrophobicContact CD2-CG2 3.61Å; Y165-I225 HydrophobicContact CE2-CG2 3.89Å; Y165-I229 HydrophobicContact CD1-CD1 3.93Å; Y165-I229 HydrophobicContact CD1-CG2 4.47Å; Y165-I229 HydrophobicContact CD2-CD1 4.41Å; Y165-I229 HydrophobicContact CE1-CD1 3.61Å; Y165-I229 HydrophobicContact CE2-CD1 4.06Å; Y165-I229 HydrophobicContact CG-CD1 4.32Å; Y165-I229 HydrophobicContact CG-CG2 4.21Å; Y165-F239 HydrophobicContact CD1-CB 4.42Å; Y165-F239 HydrophobicContact CE1-CB 3.88Å; Y165-L240 WeakPolarHBondContact CD1-O 3.47Å; Y165-L240 VanDerWaalsContact CE1-C 3.42Å; Y165-L240 WeakPolarHBondContact CE1-O 3.22Å; Y165-L240 PolarHBondContact N-O 3.37Å; Y165-K241 HydrophobicContact CD2-CB 4.46Å; Y165-K241 HydrophobicContact CD2-CG 4.4Å; Y165-K241 HydrophobicContact CE1-CB 4.14Å; Y165-K241 HydrophobicContact CE2-CB 3.72Å; Y165-K241 HydrophobicContact CE2-CG 3.75Å; Y165-K241 WeakPolarHBondContact OH-CB 3.32Å; Y165-T242 PolarHBondContact O-N 3.25Å; Y165-T242 VanDerWaalsContact O-N 3.16Å; Y165-L289 WeakPolarHBondContact OH-CD1 3.47Å
166	I	98.7	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.2	-169.5	-55.2	94.2	0	0	0	108.7	C164 T168 I180 W184 H191 I192 F193 M194 T242 D244	C164-I166 HydrophobicContact CB-CD1 4.24Å; I166-T168 PolarHBondContact O-N 3.31Å; I166-I180 HydrophobicContact CG1-CG2 4.36Å; I166-I180 HydrophobicContact CG2-CD1 4.13Å; I166-W184 HydrophobicContact CG1-CH2 4.14Å; I166-W184 HydrophobicContact CG1-CZ2 4.26Å; I166-H191 HydrophobicContact CD1-CB 3.89Å; I166-I192 PolarHBondContact N-O 3.08Å; I166-F193 HydrophobicContact CB-CD1 3.7Å; I166-F193 HydrophobicContact CB-CE1 3.88Å; I166-F193 HydrophobicContact CD1-CE1 4.38Å; I166-F193 HydrophobicContact CG1-CE1 4.3Å; I166-F193 HydrophobicContact CG2-CD1 3.85Å; I166-F193 HydrophobicContact CG2-CE1 3.81Å; I166-F193 CarbonylContact O-C 3.59Å; I166-F193 WeakPolarHBondContact O-CA 3.2Å; I166-M194 PolarHBondContact O-N 2.93Å; I166-T242 WeakPolarHBondContact CA-O 3.46Å; I166-T242 VanDerWaalsContact CG1-OG1 3.3Å; I166-T242 WeakPolarHBondContact CG1-OG1 3.44Å; I166-D244 HydrophobicContact CG2-CB 4.43Å
167	N	98.1	Very high	97.5	Very high	18 Å²	18	48.8 Å²	48.8	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124	176	-178.1	41.2	0	0	0	110.2	L218 K221 F222 T242 D244	N167-L218 WeakPolarHBondContact ND2-CD2 3.29Å; N167-K221 WeakPolarHBondContact OD1-CE 3.39Å; N167-K221 PolarHBondContact OD1-NZ 3.01Å; N167-F222 HydrophobicContact CB-CE2 4.01Å; N167-F222 HydrophobicContact CB-CZ 3.89Å; N167-T242 PolarHBondContact N-O 3.41Å; N167-D244 PolarHBondContact O-N 3.36Å; N167-D244 VanDerWaalsContact O-N 3.17Å
168	T	97.6	Very high	97.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	21%	0.205	C	C	.	.			trans	-150.1	-177.9	175.7	-166.8	0	0	0	0	109.7	I166 N172 Y173 A177 F193 M194 E213 K221 D244	I166-T168 PolarHBondContact O-N 3.31Å; T168-N172 WeakPolarHBondContact OG1-CB 3.19Å; T168-Y173 HydrophobicContact CG2-CD1 4.22Å; T168-Y173 HydrophobicContact CG2-CE1 3.98Å; T168-A177 HydrophobicContact CG2-CB 4.21Å; T168-F193 HydrophobicContact CG2-CB 4.02Å; T168-F193 HydrophobicContact CG2-CD1 4.07Å; T168-F193 HydrophobicContact CG2-CG 4.48Å; T168-M194 PolarHBondContact N-O 3.26Å; T168-E213 VanDerWaalsContact O-OE1 3.08Å; T168-K221 PolarHBondContact O-NZ 3.31Å; T168-D244 WeakPolarHBondContact CB-OD2 3.01Å; T168-D244 PolarHBondContact OG1-OD2 3.47Å
169	H	96.8	Very high	97.8	Very high	57 Å²	57	38.9 Å²	38.9	26%	0.264	17%	0.172	S	C	.	.			trans	-145.4	162.6	173.7	63.8	92.5	0	0	0	109.6	E171 N172 Y173 S195 E213	H169-E171 VanDerWaalsContact C-N 3.28Å; H169-E171 IonicContact CE1-OE2 2.96Å; H169-E171 IonicContact CG-OE2 3.66Å; H169-E171 IonicContact ND1-OE2 3.74Å; H169-E171 PolarHBondContact ND1-OE2 2.97Å; H169-E171 PolarHBondContact O-N 3.46Å; H169-E171 VanDerWaalsContact O-N 3.11Å; H169-N172 PolarHBondContact CD2-ND2 3.37Å; H169-N172 VanDerWaalsContact NE2-CG 3.25Å; H169-N172 PolarHBondContact NE2-ND2 3.32Å; H169-N172 PolarHBondContact NE2-OD1 2.88Å; H169-N172 WeakPolarHBondContact O-CB 3.34Å; H169-N172 PolarHBondContact O-N 3.44Å; H169-Y173 VanDerWaalsContact C-CE1 3.48Å; H169-Y173 WeakPolarHBondContact O-CD1 3.34Å; H169-Y173 WeakPolarHBondContact O-CE1 3.2Å; H169-S195 WeakPolarHBondContact CA-OG 3.43Å; H169-E213 HydrophobicContact CB-CG 3.78Å
170	P	96.6	Very high	97.8	Very high	24 Å²	24	32.3 Å²	32.3	16%	0.156	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-51.6	-40.2	-169.8	-31.3	37.2	0	0	0	115.1	N172 Y173 S195 K197 E213	P170-N172 PolarHBondContact O-N 2.99Å; P170-Y173 VanDerWaalsContact CA-CE1 3.46Å; P170-Y173 HydrophobicContact CB-CE2 4.49Å; P170-Y173 PolarHBondContact O-N 3.39Å; P170-S195 WeakPolarHBondContact CD-OG 3.28Å; P170-K197 HydrophobicContact CB-CB 4.46Å; P170-K197 HydrophobicContact CB-CD 3.99Å; P170-K197 HydrophobicContact CB-CG 4.43Å; P170-K197 HydrophobicContact CG-CB 3.96Å; P170-K197 HydrophobicContact CG-CD 3.82Å; P170-K197 HydrophobicContact CG-CG 3.8Å; P170-E213 WeakPolarHBondContact CD-OE2 3.1Å
171	E	96.3	Very high	97.8	Very high	107 Å²	107	34.3 Å²	34.3	50%	0.5	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-67.9	-17	-179.3	-59.9	70.8	-156.2	0	0	113.1	H169 K175	H169-E171 VanDerWaalsContact C-N 3.28Å; H169-E171 IonicContact CE1-OE2 2.96Å; H169-E171 IonicContact CG-OE2 3.66Å; H169-E171 IonicContact ND1-OE2 3.74Å; H169-E171 PolarHBondContact ND1-OE2 2.97Å; H169-E171 PolarHBondContact O-N 3.46Å; H169-E171 VanDerWaalsContact O-N 3.11Å; E171-K175 VanDerWaalsContact O-CD 3.28Å; E171-K175 WeakPolarHBondContact O-CD 3.46Å; E171-K175 WeakPolarHBondContact O-CE 3.41Å
172	N	97	Very high	97.7	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-98.1	-4.4	179	-78.8	-0.7	0	0	0	114.2	T168 H169 P170 Y174 K175 K176 A177 D244	T168-N172 WeakPolarHBondContact OG1-CB 3.19Å; H169-N172 PolarHBondContact CD2-ND2 3.37Å; H169-N172 VanDerWaalsContact NE2-CG 3.25Å; H169-N172 PolarHBondContact NE2-ND2 3.32Å; H169-N172 PolarHBondContact NE2-OD1 2.88Å; H169-N172 WeakPolarHBondContact O-CB 3.34Å; H169-N172 PolarHBondContact O-N 3.44Å; P170-N172 PolarHBondContact O-N 2.99Å; N172-Y174 PolarHBondContact O-N 3.4Å; N172-K175 PolarHBondContact O-N 2.84Å; N172-K176 HydrophobicContact CB-CB 4.28Å; N172-K176 PolarHBondContact O-N 3.48Å; N172-A177 PolarHBondContact O-N 2.92Å; N172-A177 VanDerWaalsContact O-N 3.1Å; N172-D244 WeakPolarHBondContact CB-OD2 3.44Å; N172-D244 PolarHBondContact ND2-OD2 3.4Å
173	Y	98	Very high	97.6	Very high	11 Å²	11	32.4 Å²	32.4	4%	0.043	15%	0.147	C	C	.	.	I	π-helix	trans	-52.7	-54	-174.5	-74.2	4.7	0	0	0	112.5	T168 H169 P170 A177 I178 S195 K197 D199 L202 I204	T168-Y173 HydrophobicContact CG2-CD1 4.22Å; T168-Y173 HydrophobicContact CG2-CE1 3.98Å; H169-Y173 VanDerWaalsContact C-CE1 3.48Å; H169-Y173 WeakPolarHBondContact O-CD1 3.34Å; H169-Y173 WeakPolarHBondContact O-CE1 3.2Å; P170-Y173 VanDerWaalsContact CA-CE1 3.46Å; P170-Y173 HydrophobicContact CB-CE2 4.49Å; P170-Y173 PolarHBondContact O-N 3.39Å; Y173-A177 PolarHBondContact O-N 3.05Å; Y173-I178 WeakPolarHBondContact O-CB 3.44Å; Y173-I178 PolarHBondContact O-N 3.45Å; Y173-S195 WeakPolarHBondContact CE1-OG 3.21Å; Y173-S195 WeakPolarHBondContact OH-CB 3.31Å; Y173-S195 PolarHBondContact OH-OG 3.25Å; Y173-K197 WeakPolarHBondContact CE2-O 3.47Å; Y173-K197 PolarHBondContact OH-N 3.1Å; Y173-K197 PolarHBondContact OH-O 3.28Å; Y173-D199 HydrophobicContact CD2-CB 3.83Å; Y173-D199 HydrophobicContact CE2-CB 3.86Å; Y173-L202 HydrophobicContact CD1-CD1 4.26Å; Y173-L202 HydrophobicContact CD2-CD1 4.4Å; Y173-L202 HydrophobicContact CG-CD1 3.9Å; Y173-I204 HydrophobicContact CE1-CD1 4.03Å; Y173-I204 HydrophobicContact CE2-CD1 4.29Å; Y173-I204 HydrophobicContact CE2-CG1 4.28Å
174	Y	97.1	Very high	97.6	Very high	118 Å²	118	32.4 Å²	32.4	46%	0.463	15%	0.147	S	C	.	.	I	π-helix	trans	-96.2	-5.5	-178.9	-63.7	-79.9	0	0	0	114	N172 I178 D199 I201	N172-Y174 PolarHBondContact O-N 3.4Å; Y174-I178 HydrophobicContact CD1-CB 4.4Å; Y174-I178 HydrophobicContact CD1-CG1 4.44Å; Y174-I178 HydrophobicContact CD1-CG2 4.5Å; Y174-D199 VanDerWaalsContact CE2-OD2 3.3Å; Y174-D199 WeakPolarHBondContact CE2-OD2 3.21Å; Y174-D199 VanDerWaalsContact CZ-OD2 3.27Å; Y174-D199 VanDerWaalsContact OH-CG 3.29Å; Y174-D199 PolarHBondContact OH-OD1 3.13Å; Y174-D199 PolarHBondContact OH-OD2 2.73Å; Y174-I201 HydrophobicContact CE1-CD1 4.21Å
175	K	97.1	Very high	97.5	Very high	136 Å²	136	32.4 Å²	32.4	59%	0.591	15%	0.147	S	C	*	.	I	π-helix	trans	-89.5	-30.2	174.8	-61.4	-177.9	-172.4	166.3	0	112.6	E171 N172 H179 P393	E171-K175 VanDerWaalsContact O-CD 3.28Å; E171-K175 WeakPolarHBondContact O-CD 3.46Å; E171-K175 WeakPolarHBondContact O-CE 3.41Å; N172-K175 PolarHBondContact O-N 2.84Å; K175-H179 PolarHBondContact O-CD2 2.81Å; K175-P393 WeakPolarHBondContact O-CG 3.43Å
176	K	97.9	Very high	97.4	Very high	54 Å²	54	36.2 Å²	36.2	24%	0.235	16%	0.161	C	C	.	.	I	π-helix	trans	-140.4	-60.4	-170.9	-70.5	-166.7	-177.9	-172.7	0	112.9	N172 I178 H179 I180 D244 D245	N172-K176 HydrophobicContact CB-CB 4.28Å; N172-K176 PolarHBondContact O-N 3.48Å; K176-I178 VanDerWaalsContact C-N 3.33Å; K176-I178 PolarHBondContact O-N 3.28Å; K176-H179 WeakPolarHBondContact O-CB 3.42Å; K176-H179 PolarHBondContact O-N 2.96Å; K176-I180 PolarHBondContact O-N 3.19Å; K176-D244 HydrophobicContact CB-CB 4.01Å; K176-D244 WeakPolarHBondContact CB-O 3.31Å; K176-D244 HydrophobicContact CD-CB 4.29Å; K176-D244 VanDerWaalsContact CD-CG 3.47Å; K176-D244 WeakPolarHBondContact CD-OD1 3.39Å; K176-D244 IonicContact NZ-OD1 2.8Å; K176-D244 PolarHBondContact NZ-OD1 2.89Å; K176-D244 VanDerWaalsContact NZ-OD1 3.07Å; K176-D245 HydrophobicContact CD-CB 4.39Å; K176-D245 IonicContact NZ-OD2 2.62Å; K176-D245 PolarHBondContact NZ-OD2 2.68Å
177	A	98.1	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-59.2	-39.3	-170.1	0	0	0	0	0	113.6	T168 N172 Y173 H179 I180 H181 F193 L202	T168-A177 HydrophobicContact CG2-CB 4.21Å; N172-A177 PolarHBondContact O-N 2.92Å; N172-A177 VanDerWaalsContact O-N 3.1Å; Y173-A177 PolarHBondContact O-N 3.05Å; A177-H179 PolarHBondContact O-N 3.2Å; A177-I180 PolarHBondContact O-N 3.49Å; A177-H181 PolarHBondContact O-N 2.95Å; A177-F193 HydrophobicContact CB-CD1 3.77Å; A177-F193 HydrophobicContact CB-CE1 3.63Å; A177-F193 HydrophobicContact CB-CZ 4.34Å; A177-F193 VanDerWaalsContact O-CZ 3.3Å; A177-F193 WeakPolarHBondContact O-CZ 3.45Å; A177-L202 HydrophobicContact CB-CD1 3.85Å
178	I	97.9	Very high	97.3	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.082	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-32.2	175.6	-169.8	59.8	0	0	0	113	Y173 Y174 K176 H181 K182 I201 L202	Y173-I178 WeakPolarHBondContact O-CB 3.44Å; Y173-I178 PolarHBondContact O-N 3.45Å; Y174-I178 HydrophobicContact CD1-CB 4.4Å; Y174-I178 HydrophobicContact CD1-CG1 4.44Å; Y174-I178 HydrophobicContact CD1-CG2 4.5Å; K176-I178 VanDerWaalsContact C-N 3.33Å; K176-I178 PolarHBondContact O-N 3.28Å; I178-H181 PolarHBondContact O-N 3.35Å; I178-K182 HydrophobicContact CD1-CG 4.47Å; I178-K182 WeakPolarHBondContact O-CB 3.17Å; I178-K182 WeakPolarHBondContact O-CG 3.22Å; I178-K182 PolarHBondContact O-N 3.3Å; I178-I201 HydrophobicContact CD1-CG2 3.79Å; I178-L202 HydrophobicContact CB-CD2 4.36Å; I178-L202 HydrophobicContact CD1-CD2 3.91Å
179	H	97.8	Very high	97.3	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-74.5	-40.5	180	-57	-49.2	0	0	0	111	R65 K175 K176 A177 K182 T183 P393 L396 Y397	R65-H179 PolarHBondContact NH2-CE1 3.05Å; R65-H179 PolarHBondContact NH2-NE2 3.24Å; K175-H179 PolarHBondContact O-CD2 2.81Å; K176-H179 WeakPolarHBondContact O-CB 3.42Å; K176-H179 PolarHBondContact O-N 2.96Å; A177-H179 PolarHBondContact O-N 3.2Å; H179-K182 PolarHBondContact O-N 3.48Å; H179-T183 WeakPolarHBondContact O-CG2 3.4Å; H179-T183 PolarHBondContact O-N 3.35Å; H179-T183 PolarHBondContact O-OG1 3.06Å; H179-P393 HydrophobicContact CB-CB 4.47Å; H179-P393 WeakPolarHBondContact CD2-CB 3.44Å; H179-P393 VanDerWaalsContact CD2-CG 3.47Å; H179-P393 WeakPolarHBondContact CD2-CG 3.37Å; H179-L396 HydrophobicContact CB-CD1 4Å; H179-L396 HydrophobicContact CB-CD2 4.01Å; H179-Y397 HydrophobicContact CB-CE2 3.98Å; H179-Y397 AromaticContact CG-CE2 3.8Å; H179-Y397 AromaticContact ND1-CE2 3.3Å; H179-Y397 VanDerWaalsContact ND1-CE2 3.3Å; H179-Y397 WeakPolarHBondContact ND1-CE2 3.47Å; H179-Y397 AromaticContact ND1-CZ 3.56Å; H179-Y397 PolarHBondContact ND1-OH 3.4Å
180	I	98.1	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-46.5	170.1	-72.2	179.8	0	0	0	111	I166 K176 A177 K182 T183 W184 A185 F193 D244 L396	I166-I180 HydrophobicContact CG1-CG2 4.36Å; I166-I180 HydrophobicContact CG2-CD1 4.13Å; K176-I180 PolarHBondContact O-N 3.19Å; A177-I180 PolarHBondContact O-N 3.49Å; I180-K182 VanDerWaalsContact C-N 3.27Å; I180-K182 PolarHBondContact O-N 2.95Å; I180-T183 PolarHBondContact O-N 3.31Å; I180-T183 VanDerWaalsContact O-N 3.09Å; I180-T183 PolarHBondContact O-OG1 2.86Å; I180-W184 HydrophobicContact CG2-CD2 4.47Å; I180-W184 HydrophobicContact CG2-CZ2 3.78Å; I180-A185 HydrophobicContact CG2-CB 3.59Å; I180-A185 WeakPolarHBondContact O-CB 3.31Å; I180-A185 PolarHBondContact O-N 3.5Å; I180-F193 HydrophobicContact CB-CE1 4.32Å; I180-F193 HydrophobicContact CB-CZ 4.36Å; I180-F193 HydrophobicContact CG2-CE1 4.09Å; I180-F193 HydrophobicContact CG2-CZ 4.04Å; I180-D244 VanDerWaalsContact CD1-CA 3.41Å; I180-D244 HydrophobicContact CD1-CB 4.33Å; I180-D244 WeakPolarHBondContact CD1-O 3.49Å; I180-L396 HydrophobicContact CG1-CD1 3.74Å
181	H	97.8	Very high	97.5	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.222	19%	0.187	C	C	.	.	H	α-helix	trans	-56.7	-42.5	179.3	-178.5	32.8	0	0	0	112.1	A177 I178 T183 H191 F193 L202	A177-H181 PolarHBondContact O-N 2.95Å; I178-H181 PolarHBondContact O-N 3.35Å; H181-T183 VanDerWaalsContact C-N 3.33Å; H181-T183 PolarHBondContact O-N 2.83Å; H181-H191 AromaticContact CE1-CE1 3.83Å; H181-H191 AromaticContact CE1-NE2 3.43Å; H181-H191 PolarHBondContact CE1-NE2 3.04Å; H181-H191 AromaticContact ND1-CD2 3.97Å; H181-H191 AromaticContact ND1-CE1 3.55Å; H181-H191 AromaticContact ND1-NE2 2.91Å; H181-H191 PolarHBondContact ND1-NE2 3.17Å; H181-F193 HydrophobicContact CB-CE2 3.87Å; H181-F193 HydrophobicContact CB-CZ 3.81Å; H181-L202 HydrophobicContact CB-CD2 3.73Å
182	K	95.9	Very high	97.6	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.2	-180	-73	-168.7	173	-149	0	114.8	A73 D74 I178 H179 I180	A73-K182 HydrophobicContact CB-CB 4.26Å; D74-K182 WeakPolarHBondContact OD1-CE 3.49Å; D74-K182 IonicContact OD1-NZ 2.71Å; D74-K182 PolarHBondContact OD1-NZ 3.04Å; D74-K182 IonicContact OD2-NZ 3.73Å; D74-K182 PolarHBondContact OD2-NZ 2.87Å; I178-K182 HydrophobicContact CD1-CG 4.47Å; I178-K182 WeakPolarHBondContact O-CB 3.17Å; I178-K182 WeakPolarHBondContact O-CG 3.22Å; I178-K182 PolarHBondContact O-N 3.3Å; H179-K182 PolarHBondContact O-N 3.48Å; I180-K182 VanDerWaalsContact C-N 3.27Å; I180-K182 PolarHBondContact O-N 2.95Å
183	T	96.9	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-102.2	-175.5	57.5	0	0	0	0	113	H179 I180 H181 R186 R187 L396 Y397 E400	H179-T183 WeakPolarHBondContact O-CG2 3.4Å; H179-T183 PolarHBondContact O-N 3.35Å; H179-T183 PolarHBondContact O-OG1 3.06Å; I180-T183 PolarHBondContact O-N 3.31Å; I180-T183 VanDerWaalsContact O-N 3.09Å; I180-T183 PolarHBondContact O-OG1 2.86Å; H181-T183 VanDerWaalsContact C-N 3.33Å; H181-T183 PolarHBondContact O-N 2.83Å; T183-R186 WeakPolarHBondContact O-CD 3.12Å; T183-R186 WeakPolarHBondContact O-CG 3.45Å; T183-R186 PolarHBondContact O-NE 3.47Å; T183-R187 PolarHBondContact O-NH1 2.97Å; T183-L396 HydrophobicContact CG2-CD2 3.28Å; T183-L396 HydrophobicContact CG2-CG 4.44Å; T183-L396 WeakPolarHBondContact OG1-CD2 3.24Å; T183-Y397 HydrophobicContact CG2-CD1 3.59Å; T183-Y397 HydrophobicContact CG2-CE1 3.44Å; T183-Y397 VanDerWaalsContact CG2-CE1 3.44Å; T183-E400 HydrophobicContact CG2-CB 4.2Å; T183-E400 HydrophobicContact CG2-CG 4.15Å
184	W	97.8	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-32.2	-169.3	71.5	-98.4	0	0	0	113.2	C164 I166 I180 R186 R187 L240 T242 T246 Y247 I248 M250	C164-W184 HydrophobicContact CB-CH2 4.45Å; C164-W184 HydrophobicContact CB-CZ3 4.25Å; I166-W184 HydrophobicContact CG1-CH2 4.14Å; I166-W184 HydrophobicContact CG1-CZ2 4.26Å; I180-W184 HydrophobicContact CG2-CD2 4.47Å; I180-W184 HydrophobicContact CG2-CZ2 3.78Å; W184-R186 PolarHBondContact O-N 2.9Å; W184-R187 VanDerWaalsContact O-CB 3.31Å; W184-R187 WeakPolarHBondContact O-CB 3.44Å; W184-R187 PolarHBondContact O-N 3.43Å; W184-L240 HydrophobicContact CH2-CD2 4.4Å; W184-L240 HydrophobicContact CZ3-CD2 4.13Å; W184-T242 HydrophobicContact CH2-CG2 3.75Å; W184-T242 WeakPolarHBondContact CH2-OG1 3.24Å; W184-T242 HydrophobicContact CZ2-CG2 3.99Å; W184-T246 PolarHBondContact NE1-O 2.72Å; W184-Y247 HydrophobicContact CB-CE2 4.24Å; W184-Y247 AromaticContact CD1-CD2 3.89Å; W184-I248 VanDerWaalsContact CB-O 3.24Å; W184-I248 WeakPolarHBondContact CB-O 3.49Å; W184-I248 HydrophobicContact CD2-CB 3.84Å; W184-I248 HydrophobicContact CD2-CG1 4.05Å; W184-I248 HydrophobicContact CE3-CB 3.62Å; W184-I248 HydrophobicContact CE3-CG1 3.92Å; W184-I248 HydrophobicContact CG-CB 4.41Å; W184-I248 HydrophobicContact CH2-CB 4.38Å; W184-I248 HydrophobicContact CH2-CG1 3.74Å; W184-I248 HydrophobicContact CZ2-CG1 3.86Å; W184-I248 HydrophobicContact CZ3-CB 3.9Å; W184-I248 HydrophobicContact CZ3-CG1 3.75Å; W184-M250 HydrophobicContact CE3-CG 4.22Å; W184-M250 HydrophobicContact CE3-SD 3.96Å; W184-M250 HydrophobicContact CZ3-SD 4Å
185	A	98.1	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-65.2	-27.3	-173.5	0	0	0	0	0	112.9	I180 R187 C188 H191	I180-A185 HydrophobicContact CG2-CB 3.59Å; I180-A185 WeakPolarHBondContact O-CB 3.31Å; I180-A185 PolarHBondContact O-N 3.5Å; A185-R187 PolarHBondContact O-N 2.81Å; A185-R187 VanDerWaalsContact O-N 3.1Å; A185-C188 VanDerWaalsContact O-CB 3.25Å; A185-C188 WeakPolarHBondContact O-CB 3.09Å; A185-C188 PolarHBondContact O-N 3.28Å; A185-C188 PolarHBondContact O-SG 2.82Å; A185-H191 HydrophobicContact CB-CB 3.99Å; A185-H191 PolarHBondContact O-ND1 3.22Å
186	R	95.9	Very high	97.7	Very high	79 Å²	79	25.2 Å²	25.2	30%	0.298	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-61.8	-16.5	173.9	82.6	-160.5	168.5	108	-8.9	113.8	T183 W184 E400	T183-R186 WeakPolarHBondContact O-CD 3.12Å; T183-R186 WeakPolarHBondContact O-CG 3.45Å; T183-R186 PolarHBondContact O-NE 3.47Å; W184-R186 PolarHBondContact O-N 2.9Å; R186-E400 IonicContact CZ-OE1 3.28Å; R186-E400 IonicContact NE-OE1 3.95Å; R186-E400 IonicContact NH2-OE1 3.07Å; R186-E400 PolarHBondContact NH2-OE1 3.47Å
187	R	96.6	Very high	97.7	Very high	32 Å²	32	28.7 Å²	28.7	12%	0.121	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-87.6	-9.3	175.5	-63.3	179.3	177.7	82.6	-2	112.6	Y157 T183 W184 A185 M250 E251 E400 Y404	Y157-R187 HydrophobicContact CE1-CB 4.49Å; Y157-R187 WeakPolarHBondContact CE1-O 3.45Å; T183-R187 PolarHBondContact O-NH1 2.97Å; W184-R187 VanDerWaalsContact O-CB 3.31Å; W184-R187 WeakPolarHBondContact O-CB 3.44Å; W184-R187 PolarHBondContact O-N 3.43Å; A185-R187 PolarHBondContact O-N 2.81Å; A185-R187 VanDerWaalsContact O-N 3.1Å; R187-M250 HydrophobicContact CB-CB 3.91Å; R187-M250 HydrophobicContact CB-CG 3.79Å; R187-E251 WeakPolarHBondContact CD-OE1 2.99Å; R187-E251 IonicContact NE-OE1 3.81Å; R187-E400 IonicContact CZ-OE1 3.74Å; R187-E400 VanDerWaalsContact CZ-OE1 3.23Å; R187-E400 IonicContact CZ-OE2 3.73Å; R187-E400 VanDerWaalsContact NH1-CD 3.32Å; R187-E400 IonicContact NH1-OE1 2.73Å; R187-E400 PolarHBondContact NH1-OE1 2.77Å; R187-E400 IonicContact NH1-OE2 3.81Å; R187-E400 PolarHBondContact NH1-OE2 3.44Å; R187-E400 IonicContact NH2-OE1 2.81Å; R187-E400 PolarHBondContact NH2-OE1 2.55Å; R187-E400 IonicContact NH2-OE2 3.35Å; R187-Y404 VanDerWaalsContact CZ-CZ 3.49Å
188	C	98.3	Very high	97.7	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.081	17%	0.167	C	C	.	.	S	Bend	trans	-69	154	169.8	-60.1	0	0	0	0	110.7	C164 A185 K190 H191 M250	C164-C188 HydrophobicContact CB-CB 3.77Å; C164-C188 WeakPolarHBondContact CB-SG 3.24Å; C164-C188 WeakPolarHBondContact SG-CB 3.12Å; C164-C188 CovalentContact SG-SG 2.03Å; C164-C188 PolarHBondContact SG-SG 2.88Å; A185-C188 VanDerWaalsContact O-CB 3.25Å; A185-C188 WeakPolarHBondContact O-CB 3.09Å; A185-C188 PolarHBondContact O-N 3.28Å; A185-C188 PolarHBondContact O-SG 2.82Å; C188-K190 WeakPolarHBondContact CB-O 3.26Å; C188-K190 PolarHBondContact O-N 3.44Å; C188-H191 HydrophobicContact CB-CB 4.23Å; C188-M250 HydrophobicContact CB-CE 4.5Å
189	T	98	Very high	97.7	Very high	67 Å²	67	33.8 Å²	33.8	41%	0.411	17%	0.169	S	C	.	.	S	Bend	trans	-61.9	-39.8	171	-47.8	0	0	0	0	110.4	R161 I162 Y236	R161-T189 WeakPolarHBondContact CA-OG1 3.41Å; R161-T189 HydrophobicContact CB-CG2 4.29Å; R161-T189 HydrophobicContact CG-CG2 4.45Å; I162-T189 PolarHBondContact N-OG1 2.9Å; I162-T189 VanDerWaalsContact O-CB 3.28Å; I162-T189 WeakPolarHBondContact O-CB 3.44Å; I162-T189 PolarHBondContact O-N 3.17Å; T189-Y236 HydrophobicContact CG2-CD1 4.4Å; T189-Y236 HydrophobicContact CG2-CE1 3.91Å
190	K	98.2	Very high	97.6	Very high	77 Å²	77	39.2 Å²	39.2	34%	0.335	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.4	166.7	-177.4	169.7	-174.6	174.7	0	109	I162 L163 C164 C188 I192 Y236	I162-K190 PolarHBondContact O-N 3.1Å; L163-K190 CarbonylContact C-O 3.53Å; L163-K190 WeakPolarHBondContact CA-O 3.13Å; C164-K190 PolarHBondContact N-O 2.96Å; C188-K190 WeakPolarHBondContact CB-O 3.26Å; C188-K190 PolarHBondContact O-N 3.44Å; K190-I192 HydrophobicContact CD-CD1 4.33Å; K190-I192 HydrophobicContact CD-CG1 4.46Å; K190-I192 HydrophobicContact CG-CG1 4.22Å; K190-Y236 HydrophobicContact CB-CE1 3.73Å; K190-Y236 VanDerWaalsContact CB-OH 3.29Å; K190-Y236 WeakPolarHBondContact CB-OH 3.13Å; K190-Y236 WeakPolarHBondContact CD-OH 3.42Å
191	H	98.7	Very high	97.5	Very high	28 Å²	28	43.7 Å²	43.7	13%	0.13	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.8	168.3	68	-78.4	0	0	0	111.3	C164 I166 H181 A185 C188 F193	C164-H191 HydrophobicContact CB-CB 4.08Å; C164-H191 CarbonylContact O-C 3.52Å; C164-H191 WeakPolarHBondContact O-CA 3.44Å; I166-H191 HydrophobicContact CD1-CB 3.89Å; H181-H191 AromaticContact CE1-CE1 3.83Å; H181-H191 AromaticContact CE1-NE2 3.43Å; H181-H191 PolarHBondContact CE1-NE2 3.04Å; H181-H191 AromaticContact ND1-CD2 3.97Å; H181-H191 AromaticContact ND1-CE1 3.55Å; H181-H191 AromaticContact ND1-NE2 2.91Å; H181-H191 PolarHBondContact ND1-NE2 3.17Å; A185-H191 HydrophobicContact CB-CB 3.99Å; A185-H191 PolarHBondContact O-ND1 3.22Å; C188-H191 HydrophobicContact CB-CB 4.23Å; H191-F193 AromaticContact CD2-CE2 3.71Å
192	I	98.5	Very high	97.6	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.9	-179.7	-52.9	177	0	0	0	108.3	L163 C164 Y165 I166 K190 M194 A205 Y228 F232	L163-I192 HydrophobicContact CD1-CD1 4.16Å; C164-I192 PolarHBondContact O-N 3.22Å; Y165-I192 WeakPolarHBondContact CA-O 3.29Å; I166-I192 PolarHBondContact N-O 3.08Å; K190-I192 HydrophobicContact CD-CD1 4.33Å; K190-I192 HydrophobicContact CD-CG1 4.46Å; K190-I192 HydrophobicContact CG-CG1 4.22Å; I192-M194 HydrophobicContact CB-CE 4.02Å; I192-M194 HydrophobicContact CG2-CE 3.86Å; I192-M194 HydrophobicContact CG2-SD 4.29Å; I192-A205 HydrophobicContact CG2-CB 3.55Å; I192-Y228 HydrophobicContact CD1-CE1 4.23Å; I192-Y228 HydrophobicContact CG2-CE1 4.5Å; I192-F232 HydrophobicContact CD1-CE2 3.87Å; I192-F232 HydrophobicContact CD1-CZ 4.19Å
193	F	98.7	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.9	172.8	-67.4	-85.5	0	0	0	110.1	I166 T168 A177 I180 H181 H191 L202 P203 I204 A205	I166-F193 HydrophobicContact CB-CD1 3.7Å; I166-F193 HydrophobicContact CB-CE1 3.88Å; I166-F193 HydrophobicContact CD1-CE1 4.38Å; I166-F193 HydrophobicContact CG1-CE1 4.3Å; I166-F193 HydrophobicContact CG2-CD1 3.85Å; I166-F193 HydrophobicContact CG2-CE1 3.81Å; I166-F193 CarbonylContact O-C 3.59Å; I166-F193 WeakPolarHBondContact O-CA 3.2Å; T168-F193 HydrophobicContact CG2-CB 4.02Å; T168-F193 HydrophobicContact CG2-CD1 4.07Å; T168-F193 HydrophobicContact CG2-CG 4.48Å; A177-F193 HydrophobicContact CB-CD1 3.77Å; A177-F193 HydrophobicContact CB-CE1 3.63Å; A177-F193 HydrophobicContact CB-CZ 4.34Å; A177-F193 VanDerWaalsContact O-CZ 3.3Å; A177-F193 WeakPolarHBondContact O-CZ 3.45Å; I180-F193 HydrophobicContact CB-CE1 4.32Å; I180-F193 HydrophobicContact CB-CZ 4.36Å; I180-F193 HydrophobicContact CG2-CE1 4.09Å; I180-F193 HydrophobicContact CG2-CZ 4.04Å; H181-F193 HydrophobicContact CB-CE2 3.87Å; H181-F193 HydrophobicContact CB-CZ 3.81Å; H191-F193 AromaticContact CD2-CE2 3.71Å; F193-L202 HydrophobicContact CD2-CB 4.18Å; F193-L202 HydrophobicContact CD2-CD2 4.4Å; F193-L202 HydrophobicContact CE2-CD2 4.01Å; F193-L202 HydrophobicContact CZ-CD2 4.41Å; F193-P203 HydrophobicContact CD2-CG 4.04Å; F193-P203 HydrophobicContact CE2-CG 4.28Å; F193-P203 PolarHBondContact N-O 2.94Å; F193-I204 HydrophobicContact CB-CD1 3.49Å; F193-I204 VanDerWaalsContact CB-CD1 3.49Å; F193-I204 HydrophobicContact CG-CD1 4.26Å; F193-I204 CarbonylContact O-C 3.46Å; F193-I204 WeakPolarHBondContact O-CA 3.38Å; F193-A205 PolarHBondContact O-N 2.9Å
194	M	98.4	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.4	-174.2	-62.2	-60.4	172.5	0	0	109.8	Y165 I166 T168 I192 A205 L207 K221 I225 Y228 I229	Y165-M194 HydrophobicContact CG-CE 4.35Å; I166-M194 PolarHBondContact O-N 2.93Å; T168-M194 PolarHBondContact N-O 3.26Å; I192-M194 HydrophobicContact CB-CE 4.02Å; I192-M194 HydrophobicContact CG2-CE 3.86Å; I192-M194 HydrophobicContact CG2-SD 4.29Å; M194-A205 HydrophobicContact CE-CB 4.46Å; M194-A205 HydrophobicContact SD-CB 3.68Å; M194-L207 HydrophobicContact CB-CD1 4.22Å; M194-L207 HydrophobicContact SD-CD2 4.45Å; M194-K221 WeakPolarHBondContact O-CE 3.3Å; M194-K221 PolarHBondContact O-NZ 2.95Å; M194-I225 HydrophobicContact CB-CD1 3.56Å; M194-I225 HydrophobicContact CB-CG1 3.85Å; M194-I225 HydrophobicContact CE-CG2 4.25Å; M194-I225 HydrophobicContact CG-CD1 3.93Å; M194-I225 HydrophobicContact CG-CG1 3.94Å; M194-I225 HydrophobicContact CG-CG2 3.93Å; M194-I225 HydrophobicContact SD-CG1 4.25Å; M194-I225 HydrophobicContact SD-CG2 4.1Å; M194-Y228 HydrophobicContact CE-CD1 3.99Å; M194-Y228 HydrophobicContact CE-CE1 4.31Å; M194-Y228 HydrophobicContact SD-CD1 4.27Å; M194-I229 HydrophobicContact CE-CG2 3.39Å
195	S	98	Very high	97.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	175.2	-171.4	-172.9	0	0	0	0	112.7	H169 P170 Y173 A205 V206 L207 E213	H169-S195 WeakPolarHBondContact CA-OG 3.43Å; P170-S195 WeakPolarHBondContact CD-OG 3.28Å; Y173-S195 WeakPolarHBondContact CE1-OG 3.21Å; Y173-S195 WeakPolarHBondContact OH-CB 3.31Å; Y173-S195 PolarHBondContact OH-OG 3.25Å; S195-A205 PolarHBondContact N-O 2.88Å; S195-V206 CarbonylContact O-C 3.55Å; S195-V206 WeakPolarHBondContact O-CA 3.03Å; S195-L207 PolarHBondContact O-N 3.45Å; S195-E213 WeakPolarHBondContact CA-OE1 3.37Å; S195-E213 PolarHBondContact OG-OE2 2.91Å
196	T	97	Very high	97.7	Very high	42 Å²	42	46.4 Å²	46.4	26%	0.258	25%	0.253	S	S	.	.	S	Bend	trans	-96.2	-8.9	-174	56	0	0	0	0	116.6	V206 L209 E213	T196-V206 WeakPolarHBondContact O-CG1 3.41Å; T196-L209 HydrophobicContact CG2-CB 4.37Å; T196-L209 HydrophobicContact CG2-CD1 3.48Å; T196-L209 VanDerWaalsContact CG2-CD1 3.48Å; T196-L209 HydrophobicContact CG2-CG 3.69Å; T196-E213 VanDerWaalsContact CB-OE2 3.28Å; T196-E213 WeakPolarHBondContact CB-OE2 3.48Å; T196-E213 HydrophobicContact CG2-CB 4.05Å; T196-E213 HydrophobicContact CG2-CG 4.33Å; T196-E213 WeakPolarHBondContact CG2-OE2 3.42Å; T196-E213 PolarHBondContact N-OE2 3.22Å; T196-E213 VanDerWaalsContact N-OE2 3.14Å; T196-E213 PolarHBondContact OG1-OE2 2.87Å
197	K	97.1	Very high	97.8	Very high	126 Å²	126	43.1 Å²	43.1	55%	0.548	24%	0.241	S	C	.	.	S	Bend	trans	-127.6	137.9	-179	-65	-175.9	-178.5	171	0	112	P170 Y173 I204	P170-K197 HydrophobicContact CB-CB 4.46Å; P170-K197 HydrophobicContact CB-CD 3.99Å; P170-K197 HydrophobicContact CB-CG 4.43Å; P170-K197 HydrophobicContact CG-CB 3.96Å; P170-K197 HydrophobicContact CG-CD 3.82Å; P170-K197 HydrophobicContact CG-CG 3.8Å; Y173-K197 WeakPolarHBondContact CE2-O 3.47Å; Y173-K197 PolarHBondContact OH-N 3.1Å; Y173-K197 PolarHBondContact OH-O 3.28Å; K197-I204 WeakPolarHBondContact O-CG2 3.49Å
198	S	97.6	Very high	97.7	Very high	98 Å²	98	51 Å²	51	69%	0.685	28%	0.276	S	S	*	.			trans	-64.6	152.5	173.2	54.5	0	0	0	0	111.6
199	D	97.9	Very high	97.5	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.134	28%	0.282	C	S	.	.			trans	-135.5	142	170.6	-177.6	-92.7	0	0	0	108.8	Y173 Y174 I201 L202 I204	Y173-D199 HydrophobicContact CD2-CB 3.83Å; Y173-D199 HydrophobicContact CE2-CB 3.86Å; Y174-D199 VanDerWaalsContact CE2-OD2 3.3Å; Y174-D199 WeakPolarHBondContact CE2-OD2 3.21Å; Y174-D199 VanDerWaalsContact CZ-OD2 3.27Å; Y174-D199 VanDerWaalsContact OH-CG 3.29Å; Y174-D199 PolarHBondContact OH-OD1 3.13Å; Y174-D199 PolarHBondContact OH-OD2 2.73Å; D199-I201 VanDerWaalsContact C-N 3.3Å; D199-I201 PolarHBondContact O-N 2.79Å; D199-I201 WeakPolarHBondContact OD1-CA 3.33Å; D199-I201 WeakPolarHBondContact OD1-CB 3.43Å; D199-I201 PolarHBondContact OD1-N 2.86Å; D199-L202 HydrophobicContact CB-CB 4.16Å; D199-L202 PolarHBondContact OD1-N 3.21Å; D199-I204 HydrophobicContact CB-CG1 3.88Å
200	P	96.6	Very high	97.1	Very high	127 Å²	127	53.5 Å²	53.5	83%	0.825	29%	0.291	S	S	*	.	S	Bend	trans	-73.5	-17.2	-177.4	28.3	-35.8	0	0	0	114.3
201	I	96.5	Very high	96.7	Very high	94 Å²	94	55.3 Å²	55.3	48%	0.482	30%	0.297	S	S	.	.	S	Bend	trans	-104.5	-46.9	-177.3	-62.5	173.1	0	0	0	110.3	Y174 I178 D199	Y174-I201 HydrophobicContact CE1-CD1 4.21Å; I178-I201 HydrophobicContact CD1-CG2 3.79Å; D199-I201 VanDerWaalsContact C-N 3.3Å; D199-I201 PolarHBondContact O-N 2.79Å; D199-I201 WeakPolarHBondContact OD1-CA 3.33Å; D199-I201 WeakPolarHBondContact OD1-CB 3.43Å; D199-I201 PolarHBondContact OD1-N 2.86Å
202	L	98	Very high	96.4	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	32%	0.318	C	S	.	.	S	Bend	trans	-81.1	134.3	-177.1	-58.8	175.3	0	0	0	111.1	Y173 A177 I178 H181 F193 D199 I204	Y173-L202 HydrophobicContact CD1-CD1 4.26Å; Y173-L202 HydrophobicContact CD2-CD1 4.4Å; Y173-L202 HydrophobicContact CG-CD1 3.9Å; A177-L202 HydrophobicContact CB-CD1 3.85Å; I178-L202 HydrophobicContact CB-CD2 4.36Å; I178-L202 HydrophobicContact CD1-CD2 3.91Å; H181-L202 HydrophobicContact CB-CD2 3.73Å; F193-L202 HydrophobicContact CD2-CB 4.18Å; F193-L202 HydrophobicContact CD2-CD2 4.4Å; F193-L202 HydrophobicContact CE2-CD2 4.01Å; F193-L202 HydrophobicContact CZ-CD2 4.41Å; D199-L202 HydrophobicContact CB-CB 4.16Å; D199-L202 PolarHBondContact OD1-N 3.21Å; L202-I204 HydrophobicContact CB-CD1 3.53Å; L202-I204 HydrophobicContact CB-CG1 4.01Å; L202-I204 HydrophobicContact CD1-CD1 4.14Å; L202-I204 HydrophobicContact CG-CD1 4.49Å; L202-I204 PolarHBondContact O-N 3.04Å
203	P	98.1	Very high	96	Very high	49 Å²	49	59.5 Å²	59.5	32%	0.318	32%	0.324	S	S	.	.			trans	-72.7	79.8	172.6	29.6	-34.3	0	0	0	110.6	F193	F193-P203 HydrophobicContact CD2-CG 4.04Å; F193-P203 HydrophobicContact CE2-CG 4.28Å; F193-P203 PolarHBondContact N-O 2.94Å
204	I	98.5	Very high	95.7	Very high	27 Å²	27	63 Å²	63	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128	-179.9	-50.9	-57.3	0	0	0	110.8	Y173 F193 K197 D199 L202 V206	Y173-I204 HydrophobicContact CE1-CD1 4.03Å; Y173-I204 HydrophobicContact CE2-CD1 4.29Å; Y173-I204 HydrophobicContact CE2-CG1 4.28Å; F193-I204 HydrophobicContact CB-CD1 3.49Å; F193-I204 VanDerWaalsContact CB-CD1 3.49Å; F193-I204 HydrophobicContact CG-CD1 4.26Å; F193-I204 CarbonylContact O-C 3.46Å; F193-I204 WeakPolarHBondContact O-CA 3.38Å; K197-I204 WeakPolarHBondContact O-CG2 3.49Å; D199-I204 HydrophobicContact CB-CG1 3.88Å; L202-I204 HydrophobicContact CB-CD1 3.53Å; L202-I204 HydrophobicContact CB-CG1 4.01Å; L202-I204 HydrophobicContact CD1-CD1 4.14Å; L202-I204 HydrophobicContact CG-CD1 4.49Å; L202-I204 PolarHBondContact O-N 3.04Å; I204-V206 HydrophobicContact CG2-CG2 4.24Å
205	A	98.2	Very high	95.3	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.008	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.1	156.4	0	0	0	0	0	109	I192 F193 M194 S195 L207 Y228	I192-A205 HydrophobicContact CG2-CB 3.55Å; F193-A205 PolarHBondContact O-N 2.9Å; M194-A205 HydrophobicContact CE-CB 4.46Å; M194-A205 HydrophobicContact SD-CB 3.68Å; S195-A205 PolarHBondContact N-O 2.88Å; A205-L207 PolarHBondContact O-N 3.03Å; A205-L207 VanDerWaalsContact O-N 3.16Å; A205-Y228 HydrophobicContact CB-CD1 4.01Å; A205-Y228 HydrophobicContact CB-CD2 4.39Å; A205-Y228 HydrophobicContact CB-CE1 3.43Å; A205-Y228 VanDerWaalsContact CB-CE1 3.43Å; A205-Y228 HydrophobicContact CB-CE2 3.86Å; A205-Y228 HydrophobicContact CB-CG 4.46Å
206	V	97.7	Very high	95.2	Very high	79 Å²	79	77.1 Å²	77.1	48%	0.479	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	103	-178.4	-176.6	0	0	0	0	109.9	S195 T196 I204	S195-V206 CarbonylContact O-C 3.55Å; S195-V206 WeakPolarHBondContact O-CA 3.03Å; T196-V206 WeakPolarHBondContact O-CG1 3.41Å; I204-V206 HydrophobicContact CG2-CG2 4.24Å
207	L	97.3	Very high	95.1	Very high	9 Å²	9	76.6 Å²	76.6	5%	0.047	40%	0.4	C	S	.	.			trans	-82.7	135.6	-179.7	-52.4	-179.6	0	0	0	110.6	M194 S195 A205 L209 K221 I224 I225	M194-L207 HydrophobicContact CB-CD1 4.22Å; M194-L207 HydrophobicContact SD-CD2 4.45Å; S195-L207 PolarHBondContact O-N 3.45Å; A205-L207 PolarHBondContact O-N 3.03Å; A205-L207 VanDerWaalsContact O-N 3.16Å; L207-L209 HydrophobicContact CB-CD2 3.98Å; L207-L209 HydrophobicContact CB-CG 4.31Å; L207-L209 HydrophobicContact CD1-CD2 4.42Å; L207-L209 PolarHBondContact O-N 3.05Å; L207-K221 HydrophobicContact CD1-CG 3.98Å; L207-I224 HydrophobicContact CB-CG2 4.47Å; L207-I224 HydrophobicContact CD2-CG2 4.26Å; L207-I225 HydrophobicContact CD1-CD1 4.15Å; L207-I225 HydrophobicContact CD1-CG1 3.58Å; L207-I225 HydrophobicContact CD2-CG1 4.45Å
208	K	95.7	Very high	95	Very high	197 Å²	197	72 Å²	72	86%	0.857	38%	0.381	S	S	*	.			trans	-89.5	102	167.7	-65.8	-175.3	-179.2	-178.3	0	108.7
209	L	93.9	Very high	94.9	Very high	38 Å²	38	67.4 Å²	67.4	20%	0.199	35%	0.349	C	S	.	.			trans	-97.7	139.4	177.6	-55.2	-175.3	0	0	0	110.2	T196 L207 Y211 E213 K221 I224	T196-L209 HydrophobicContact CG2-CB 4.37Å; T196-L209 HydrophobicContact CG2-CD1 3.48Å; T196-L209 VanDerWaalsContact CG2-CD1 3.48Å; T196-L209 HydrophobicContact CG2-CG 3.69Å; L207-L209 HydrophobicContact CB-CD2 3.98Å; L207-L209 HydrophobicContact CB-CG 4.31Å; L207-L209 HydrophobicContact CD1-CD2 4.42Å; L207-L209 PolarHBondContact O-N 3.05Å; L209-Y211 WeakPolarHBondContact CB-O 3.25Å; L209-Y211 PolarHBondContact O-N 2.96Å; L209-E213 HydrophobicContact CD1-CB 4.22Å; L209-E213 HydrophobicContact CD1-CG 4.22Å; L209-K221 HydrophobicContact CD1-CB 4.45Å; L209-K221 HydrophobicContact CD1-CD 4.31Å; L209-K221 HydrophobicContact CD1-CG 4.18Å; L209-K221 HydrophobicContact CD2-CB 4.29Å; L209-K221 HydrophobicContact CD2-CG 4.11Å; L209-I224 HydrophobicContact CD2-CD1 3.52Å
210	P	89.8	Confident	94.8	Very high	95 Å²	95	66.6 Å²	66.6	62%	0.617	35%	0.345	S	S	*	.	S	Bend	trans	-76.2	-8.8	172.6	30.3	-32.8	0	0	0	113
211	Y	89.2	Confident	94.8	Very high	114 Å²	114	61 Å²	61	45%	0.447	31%	0.308	S	S	.	.	S	Bend	trans	-127.8	160.9	-177.4	-47.9	-63.4	0	0	0	110.7	L209 H217	L209-Y211 WeakPolarHBondContact CB-O 3.25Å; L209-Y211 PolarHBondContact O-N 2.96Å; Y211-H217 VanDerWaalsContact CB-CD2 3.49Å; Y211-H217 WeakPolarHBondContact CB-CD2 3.18Å
212	P	91.2	Very high	94.9	Very high	90 Å²	90	56.6 Å²	56.6	58%	0.584	29%	0.285	S	S	*	.			trans	-54.6	148.9	170.6	-24.4	35.1	0	0	0	111.8	V214 H217	P212-V214 VanDerWaalsContact C-N 3.34Å; P212-V214 HydrophobicContact CB-CG1 4.47Å; P212-V214 PolarHBondContact O-N 3.25Å; P212-H217 PolarHBondContact O-CD2 2.76Å; P212-H217 VanDerWaalsContact O-CD2 3.26Å
213	E	91.6	Very high	94.8	Very high	34 Å²	34	58 Å²	58	16%	0.159	29%	0.29	C	S	.	.	S	Bend	trans	-79.3	84.8	178.9	-169.7	166	-155.3	0	0	110.9	T168 H169 P170 S195 T196 L209 K221	T168-E213 VanDerWaalsContact O-OE1 3.08Å; H169-E213 HydrophobicContact CB-CG 3.78Å; P170-E213 WeakPolarHBondContact CD-OE2 3.1Å; S195-E213 WeakPolarHBondContact CA-OE1 3.37Å; S195-E213 PolarHBondContact OG-OE2 2.91Å; T196-E213 VanDerWaalsContact CB-OE2 3.28Å; T196-E213 WeakPolarHBondContact CB-OE2 3.48Å; T196-E213 HydrophobicContact CG2-CB 4.05Å; T196-E213 HydrophobicContact CG2-CG 4.33Å; T196-E213 WeakPolarHBondContact CG2-OE2 3.42Å; T196-E213 PolarHBondContact N-OE2 3.22Å; T196-E213 VanDerWaalsContact N-OE2 3.14Å; T196-E213 PolarHBondContact OG1-OE2 2.87Å; L209-E213 HydrophobicContact CD1-CB 4.22Å; L209-E213 HydrophobicContact CD1-CG 4.22Å; E213-K221 WeakPolarHBondContact OE1-CE 3.37Å; E213-K221 IonicContact OE1-NZ 2.76Å; E213-K221 PolarHBondContact OE1-NZ 3.32Å
214	V	92	Very high	94.8	Very high	72 Å²	72	57.8 Å²	57.8	44%	0.436	29%	0.286	S	S	.	.	S	Bend	trans	-134.5	163.4	-179.8	-65.8	0	0	0	0	111.6	P212 M216 H217	P212-V214 VanDerWaalsContact C-N 3.34Å; P212-V214 HydrophobicContact CB-CG1 4.47Å; P212-V214 PolarHBondContact O-N 3.25Å; V214-M216 VanDerWaalsContact C-N 3.28Å; V214-M216 HydrophobicContact CG2-CG 3.58Å; V214-M216 HydrophobicContact CG2-SD 4.31Å; V214-M216 PolarHBondContact O-N 2.96Å; V214-H217 WeakPolarHBondContact CG2-CD2 3.11Å; V214-H217 PolarHBondContact O-N 3.5Å; V214-H217 VanDerWaalsContact O-N 3.12Å
215	R	90.5	Very high	94.8	Very high	175 Å²	175	56.5 Å²	56.5	66%	0.66	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-54.2	-39.3	-174.7	-176.5	-178.8	173.1	91.1	5	113.8	H217 L218 D314	R215-H217 PolarHBondContact O-N 2.8Å; R215-H217 VanDerWaalsContact O-N 3.08Å; R215-L218 HydrophobicContact CG-CD1 3.91Å; R215-L218 WeakPolarHBondContact O-CB 3.48Å; R215-L218 WeakPolarHBondContact O-CG 3.39Å; R215-L218 PolarHBondContact O-N 2.59Å; R215-D314 HydrophobicContact CG-CB 4.18Å; R215-D314 IonicContact CZ-OD2 3.35Å; R215-D314 IonicContact NE-OD2 3.96Å; R215-D314 PolarHBondContact NE-OD2 2.92Å; R215-D314 IonicContact NH2-OD2 3.85Å; R215-D314 VanDerWaalsContact O-CB 3.24Å; R215-D314 WeakPolarHBondContact O-CB 3.13Å
216	M	94.3	Very high	94.8	Very high	122 Å²	122	56.4 Å²	56.4	60%	0.601	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.2	-16	-177.3	61	175.9	62.1	0	0	114.7	V214 E313	V214-M216 VanDerWaalsContact C-N 3.28Å; V214-M216 HydrophobicContact CG2-CG 3.58Å; V214-M216 HydrophobicContact CG2-SD 4.31Å; V214-M216 PolarHBondContact O-N 2.96Å; M216-E313 CarbonylContact O-C 3.57Å; M216-E313 WeakPolarHBondContact O-CA 3.15Å
217	H	95	Very high	94.7	Very high	32 Å²	32	57.9 Å²	57.9	15%	0.148	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-108.9	16.7	-177.3	-53.7	-50.3	0	0	0	112.6	Y211 P212 V214 R215 W219 S220 K221 D312	Y211-H217 VanDerWaalsContact CB-CD2 3.49Å; Y211-H217 WeakPolarHBondContact CB-CD2 3.18Å; P212-H217 PolarHBondContact O-CD2 2.76Å; P212-H217 VanDerWaalsContact O-CD2 3.26Å; V214-H217 WeakPolarHBondContact CG2-CD2 3.11Å; V214-H217 PolarHBondContact O-N 3.5Å; V214-H217 VanDerWaalsContact O-N 3.12Å; R215-H217 PolarHBondContact O-N 2.8Å; R215-H217 VanDerWaalsContact O-N 3.08Å; H217-W219 PolarHBondContact O-N 3.48Å; H217-S220 PolarHBondContact O-N 2.74Å; H217-K221 WeakPolarHBondContact O-CB 3.47Å; H217-K221 PolarHBondContact O-N 2.7Å; H217-D312 WeakPolarHBondContact CA-OD1 3.48Å; H217-D312 IonicContact CE1-OD2 3.07Å; H217-D312 PolarHBondContact CE1-OD2 2.87Å; H217-D312 IonicContact CG-OD2 3.54Å; H217-D312 IonicContact ND1-OD2 2.75Å; H217-D312 PolarHBondContact ND1-OD2 2.84Å
218	L	95.4	Very high	94.8	Very high	30 Å²	30	61.1 Å²	61.1	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-43.6	-174.7	-81.3	172.1	0	0	0	112.1	N167 R215 S220 K221 F222 E313 E316	N167-L218 WeakPolarHBondContact ND2-CD2 3.29Å; R215-L218 HydrophobicContact CG-CD1 3.91Å; R215-L218 WeakPolarHBondContact O-CB 3.48Å; R215-L218 WeakPolarHBondContact O-CG 3.39Å; R215-L218 PolarHBondContact O-N 2.59Å; L218-S220 PolarHBondContact O-N 2.87Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.38Å; L218-F222 WeakPolarHBondContact O-CB 3.5Å; L218-F222 WeakPolarHBondContact O-CD2 3.47Å; L218-F222 PolarHBondContact O-N 2.96Å; L218-E313 PolarHBondContact N-O 3.21Å; L218-E316 HydrophobicContact CB-CB 4.03Å
219	W	96.4	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-42.7	-179.6	176	-132.6	0	0	0	112.1	H217 K221 F222 R223 I302 P309 Y311 E313 E316 K319 M320 C323	H217-W219 PolarHBondContact O-N 3.48Å; W219-K221 PolarHBondContact O-N 3.02Å; W219-F222 HydrophobicContact CE3-CB 4.22Å; W219-F222 HydrophobicContact CZ3-CB 4.5Å; W219-F222 PolarHBondContact O-N 2.92Å; W219-F222 VanDerWaalsContact O-N 3.14Å; W219-R223 HydrophobicContact CD2-CG 4.2Å; W219-R223 HydrophobicContact CE3-CG 4.38Å; W219-R223 HydrophobicContact CH2-CG 3.88Å; W219-R223 HydrophobicContact CZ2-CG 3.67Å; W219-R223 HydrophobicContact CZ3-CG 4.21Å; W219-R223 PolarHBondContact O-N 3.44Å; W219-I302 HydrophobicContact CH2-CG2 4.13Å; W219-P309 PolarHBondContact NE1-O 3.43Å; W219-Y311 VanDerWaalsContact CD1-O 3.23Å; W219-E313 HydrophobicContact CB-CG 4.18Å; W219-E313 WeakPolarHBondContact CB-O 3.36Å; W219-E313 PolarHBondContact N-O 3.48Å; W219-E316 HydrophobicContact CE3-CG 4.33Å; W219-K319 HydrophobicContact CD2-CB 3.47Å; W219-K319 VanDerWaalsContact CD2-CB 3.47Å; W219-K319 HydrophobicContact CD2-CG 4.03Å; W219-K319 HydrophobicContact CE3-CB 3.67Å; W219-K319 HydrophobicContact CG-CB 4Å; W219-K319 HydrophobicContact CG-CG 4Å; W219-K319 HydrophobicContact CH2-CB 4.05Å; W219-K319 HydrophobicContact CZ2-CB 3.86Å; W219-K319 HydrophobicContact CZ3-CB 3.96Å; W219-M320 HydrophobicContact CE3-CG 4.37Å; W219-M320 HydrophobicContact CH2-SD 4.3Å; W219-M320 HydrophobicContact CZ3-CG 3.73Å; W219-M320 HydrophobicContact CZ3-SD 3.61Å; W219-C323 HydrophobicContact CH2-CB 4.48Å; W219-C323 VanDerWaalsContact CZ2-SG 3.59Å
220	S	95.9	Very high	95.1	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-40.8	174.9	-67	0	0	0	0	112.5	H217 L218 F222 R223 I224 D312	H217-S220 PolarHBondContact O-N 2.74Å; L218-S220 PolarHBondContact O-N 2.87Å; S220-F222 VanDerWaalsContact C-N 3.28Å; S220-F222 PolarHBondContact O-N 2.99Å; S220-R223 PolarHBondContact O-N 3.1Å; S220-R223 PolarHBondContact OG-NH2 3.37Å; S220-I224 PolarHBondContact O-N 3.06Å; S220-D312 WeakPolarHBondContact CB-OD1 3.35Å; S220-D312 PolarHBondContact OG-OD1 2.63Å
221	K	96.8	Very high	95.5	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-43	171.4	-177.8	-179.7	179.9	-174.3	0	110.9	N167 T168 M194 L207 L209 E213 H217 L218 W219 I224 I225	N167-K221 WeakPolarHBondContact OD1-CE 3.39Å; N167-K221 PolarHBondContact OD1-NZ 3.01Å; T168-K221 PolarHBondContact O-NZ 3.31Å; M194-K221 WeakPolarHBondContact O-CE 3.3Å; M194-K221 PolarHBondContact O-NZ 2.95Å; L207-K221 HydrophobicContact CD1-CG 3.98Å; L209-K221 HydrophobicContact CD1-CB 4.45Å; L209-K221 HydrophobicContact CD1-CD 4.31Å; L209-K221 HydrophobicContact CD1-CG 4.18Å; L209-K221 HydrophobicContact CD2-CB 4.29Å; L209-K221 HydrophobicContact CD2-CG 4.11Å; E213-K221 WeakPolarHBondContact OE1-CE 3.37Å; E213-K221 IonicContact OE1-NZ 2.76Å; E213-K221 PolarHBondContact OE1-NZ 3.32Å; H217-K221 WeakPolarHBondContact O-CB 3.47Å; H217-K221 PolarHBondContact O-N 2.7Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.38Å; W219-K221 PolarHBondContact O-N 3.02Å; K221-I224 WeakPolarHBondContact O-CB 3.17Å; K221-I224 PolarHBondContact O-N 2.96Å; K221-I224 VanDerWaalsContact O-N 3.13Å; K221-I225 HydrophobicContact CD-CD1 4.43Å; K221-I225 HydrophobicContact CG-CD1 3.96Å; K221-I225 HydrophobicContact CG-CG1 4.44Å; K221-I225 WeakPolarHBondContact O-CG1 3.11Å; K221-I225 PolarHBondContact O-N 3.01Å
222	F	97.1	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-177.4	-97	-94.7	0	0	0	114.7	Y165 N167 L218 W219 S220 I224 I225 L226 K241 E316	Y165-F222 HydrophobicContact CD2-CE1 4.41Å; Y165-F222 HydrophobicContact CE2-CD1 4.5Å; Y165-F222 AromaticContact CE2-CE1 3.82Å; Y165-F222 HydrophobicContact CE2-CE1 3.82Å; N167-F222 HydrophobicContact CB-CE2 4.01Å; N167-F222 HydrophobicContact CB-CZ 3.89Å; L218-F222 WeakPolarHBondContact O-CB 3.5Å; L218-F222 WeakPolarHBondContact O-CD2 3.47Å; L218-F222 PolarHBondContact O-N 2.96Å; W219-F222 HydrophobicContact CE3-CB 4.22Å; W219-F222 HydrophobicContact CZ3-CB 4.5Å; W219-F222 PolarHBondContact O-N 2.92Å; W219-F222 VanDerWaalsContact O-N 3.14Å; S220-F222 VanDerWaalsContact C-N 3.28Å; S220-F222 PolarHBondContact O-N 2.99Å; F222-I224 PolarHBondContact O-N 3.28Å; F222-I225 HydrophobicContact CD1-CB 4.44Å; F222-I225 HydrophobicContact CD1-CD1 4.19Å; F222-I225 HydrophobicContact CD1-CG2 4.49Å; F222-I225 HydrophobicContact CD2-CD1 3.91Å; F222-I225 HydrophobicContact CE1-CD1 4.14Å; F222-I225 HydrophobicContact CE2-CD1 3.91Å; F222-I225 HydrophobicContact CG-CD1 4.1Å; F222-I225 HydrophobicContact CZ-CD1 4.01Å; F222-I225 PolarHBondContact O-N 2.76Å; F222-L226 WeakPolarHBondContact O-CB 3.41Å; F222-L226 VanDerWaalsContact O-CG 3.32Å; F222-L226 WeakPolarHBondContact O-CG 3.33Å; F222-L226 PolarHBondContact O-N 3.29Å; F222-K241 HydrophobicContact CE1-CD 4.31Å; F222-K241 HydrophobicContact CE1-CG 3.59Å; F222-K241 HydrophobicContact CZ-CD 4.17Å; F222-K241 HydrophobicContact CZ-CG 3.85Å; F222-E316 HydrophobicContact CB-CG 3.58Å; F222-E316 HydrophobicContact CD1-CG 3.96Å; F222-E316 WeakPolarHBondContact CD1-OE1 3.11Å; F222-E316 HydrophobicContact CD2-CB 4.4Å; F222-E316 HydrophobicContact CD2-CG 3.44Å; F222-E316 VanDerWaalsContact CD2-CG 3.44Å; F222-E316 WeakPolarHBondContact CD2-OE1 3.49Å; F222-E316 WeakPolarHBondContact CE1-OE1 3.49Å; F222-E316 HydrophobicContact CE2-CG 4.03Å; F222-E316 WeakPolarHBondContact CE2-OE1 3.5Å; F222-E316 HydrophobicContact CG-CG 3.35Å; F222-E316 WeakPolarHBondContact CG-OE1 3.43Å; F222-E316 WeakPolarHBondContact CZ-OE1 3.32Å
223	R	96.8	Very high	96.3	Very high	34 Å²	34	47.2 Å²	47.2	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-35.2	168.1	-69.4	-172.1	-65.9	165	-11	111.7	W219 S220 R227 I302 D303 V310	W219-R223 HydrophobicContact CD2-CG 4.2Å; W219-R223 HydrophobicContact CE3-CG 4.38Å; W219-R223 HydrophobicContact CH2-CG 3.88Å; W219-R223 HydrophobicContact CZ2-CG 3.67Å; W219-R223 HydrophobicContact CZ3-CG 4.21Å; W219-R223 PolarHBondContact O-N 3.44Å; S220-R223 PolarHBondContact O-N 3.1Å; S220-R223 PolarHBondContact OG-NH2 3.37Å; R223-R227 VanDerWaalsContact C-NH1 3.26Å; R223-R227 WeakPolarHBondContact O-CG 3.42Å; R223-R227 PolarHBondContact O-N 3Å; R223-R227 PolarHBondContact O-NH1 3.44Å; R223-I302 HydrophobicContact CG-CG2 4.41Å; R223-D303 IonicContact CZ-OD1 2.77Å; R223-D303 IonicContact NH1-OD1 2.55Å; R223-D303 PolarHBondContact NH1-OD1 2.95Å; R223-V310 VanDerWaalsContact CZ-O 3.27Å; R223-V310 PolarHBondContact NH1-O 2.91Å; R223-V310 PolarHBondContact NH2-O 3.27Å
224	I	97.1	Very high	96.6	Very high	45 Å²	45	49.8 Å²	49.8	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-44.9	175	-63.8	166.4	0	0	0	110.7	L207 L209 S220 K221 F222 L226 R227 Y228	L207-I224 HydrophobicContact CB-CG2 4.47Å; L207-I224 HydrophobicContact CD2-CG2 4.26Å; L209-I224 HydrophobicContact CD2-CD1 3.52Å; S220-I224 PolarHBondContact O-N 3.06Å; K221-I224 WeakPolarHBondContact O-CB 3.17Å; K221-I224 PolarHBondContact O-N 2.96Å; K221-I224 VanDerWaalsContact O-N 3.13Å; F222-I224 PolarHBondContact O-N 3.28Å; I224-L226 VanDerWaalsContact C-N 3.33Å; I224-L226 PolarHBondContact O-N 2.9Å; I224-R227 PolarHBondContact O-N 3.35Å; I224-Y228 PolarHBondContact O-N 3.44Å
225	I	98	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-45.3	175.2	-68.9	168.7	0	0	0	111.2	Y165 M194 L207 K221 F222 R227 Y228 I229	Y165-I225 HydrophobicContact CD2-CG2 3.61Å; Y165-I225 HydrophobicContact CE2-CG2 3.89Å; M194-I225 HydrophobicContact CB-CD1 3.56Å; M194-I225 HydrophobicContact CB-CG1 3.85Å; M194-I225 HydrophobicContact CE-CG2 4.25Å; M194-I225 HydrophobicContact CG-CD1 3.93Å; M194-I225 HydrophobicContact CG-CG1 3.94Å; M194-I225 HydrophobicContact CG-CG2 3.93Å; M194-I225 HydrophobicContact SD-CG1 4.25Å; M194-I225 HydrophobicContact SD-CG2 4.1Å; L207-I225 HydrophobicContact CD1-CD1 4.15Å; L207-I225 HydrophobicContact CD1-CG1 3.58Å; L207-I225 HydrophobicContact CD2-CG1 4.45Å; K221-I225 HydrophobicContact CD-CD1 4.43Å; K221-I225 HydrophobicContact CG-CD1 3.96Å; K221-I225 HydrophobicContact CG-CG1 4.44Å; K221-I225 WeakPolarHBondContact O-CG1 3.11Å; K221-I225 PolarHBondContact O-N 3.01Å; F222-I225 HydrophobicContact CD1-CB 4.44Å; F222-I225 HydrophobicContact CD1-CD1 4.19Å; F222-I225 HydrophobicContact CD1-CG2 4.49Å; F222-I225 HydrophobicContact CD2-CD1 3.91Å; F222-I225 HydrophobicContact CE1-CD1 4.14Å; F222-I225 HydrophobicContact CE2-CD1 3.91Å; F222-I225 HydrophobicContact CG-CD1 4.1Å; F222-I225 HydrophobicContact CZ-CD1 4.01Å; F222-I225 PolarHBondContact O-N 2.76Å; I225-R227 VanDerWaalsContact C-N 3.34Å; I225-R227 PolarHBondContact O-N 2.92Å; I225-Y228 CarbonylContact O-C 3.47Å; I225-Y228 WeakPolarHBondContact O-CA 3.38Å; I225-Y228 WeakPolarHBondContact O-CB 3.37Å; I225-Y228 PolarHBondContact O-N 2.83Å; I225-I229 HydrophobicContact CG2-CG2 4.26Å; I225-I229 WeakPolarHBondContact O-CG1 3.06Å; I225-I229 PolarHBondContact O-N 2.77Å
226	L	98.1	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-45.4	-179.9	-76.7	174.3	0	0	0	112.1	F222 I224 Y228 I229 Y230 L289 L294 I297 V298 I302 M320	F222-L226 WeakPolarHBondContact O-CB 3.41Å; F222-L226 VanDerWaalsContact O-CG 3.32Å; F222-L226 WeakPolarHBondContact O-CG 3.33Å; F222-L226 PolarHBondContact O-N 3.29Å; I224-L226 VanDerWaalsContact C-N 3.33Å; I224-L226 PolarHBondContact O-N 2.9Å; L226-Y228 VanDerWaalsContact C-N 3.31Å; L226-Y228 PolarHBondContact O-N 2.79Å; L226-I229 HydrophobicContact CD2-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CG1 3.37Å; L226-I229 PolarHBondContact O-N 2.97Å; L226-Y230 WeakPolarHBondContact O-CB 3.45Å; L226-Y230 PolarHBondContact O-N 3.2Å; L226-L289 HydrophobicContact CD2-CD1 4.16Å; L226-L294 HydrophobicContact CD2-CD1 3.92Å; L226-I297 HydrophobicContact CD1-CG2 3.76Å; L226-I297 HydrophobicContact CD2-CG2 4.49Å; L226-V298 HydrophobicContact CB-CG2 3.95Å; L226-I302 HydrophobicContact CB-CD1 4.12Å; L226-I302 HydrophobicContact CD1-CD1 4.23Å; L226-I302 HydrophobicContact CD1-CG2 3.86Å; L226-M320 HydrophobicContact CD1-CE 4.05Å; L226-M320 HydrophobicContact CD1-SD 3.49Å; L226-M320 WeakPolarHBondContact CD1-SD 3.2Å; L226-M320 HydrophobicContact CD2-CE 3.73Å; L226-M320 HydrophobicContact CD2-SD 4.09Å; L226-M320 HydrophobicContact CG-CE 4.32Å; L226-M320 HydrophobicContact CG-SD 4.02Å
227	R	97.4	Very high	97.5	Very high	110 Å²	110	38.5 Å²	38.5	42%	0.415	17%	0.174	S	C	.	.	H	α-helix	trans	-63.5	-38.5	174.8	-65.9	-176.6	-163.9	99.6	-21.5	111.8	R223 I224 I225 I302 D303	R223-R227 VanDerWaalsContact C-NH1 3.26Å; R223-R227 WeakPolarHBondContact O-CG 3.42Å; R223-R227 PolarHBondContact O-N 3Å; R223-R227 PolarHBondContact O-NH1 3.44Å; I224-R227 PolarHBondContact O-N 3.35Å; I225-R227 VanDerWaalsContact C-N 3.34Å; I225-R227 PolarHBondContact O-N 2.92Å; R227-I302 HydrophobicContact CG-CD1 4.13Å; R227-D303 IonicContact CZ-OD2 3.33Å; R227-D303 IonicContact NE-OD2 3.72Å; R227-D303 VanDerWaalsContact NH2-CG 3.26Å; R227-D303 IonicContact NH2-OD1 3.77Å; R227-D303 PolarHBondContact NH2-OD1 2.84Å; R227-D303 IonicContact NH2-OD2 3.57Å; R227-D303 PolarHBondContact NH2-OD2 3.26Å
228	Y	98.2	Very high	97.6	Very high	77 Å²	77	37.2 Å²	37.2	30%	0.302	17%	0.167	S	C	.	.	H	α-helix	trans	-64.1	-49.8	176.1	-175.9	-85.5	0	0	0	111.8	I192 M194 A205 I224 I225 L226 Y230 Q231 F232	I192-Y228 HydrophobicContact CD1-CE1 4.23Å; I192-Y228 HydrophobicContact CG2-CE1 4.5Å; M194-Y228 HydrophobicContact CE-CD1 3.99Å; M194-Y228 HydrophobicContact CE-CE1 4.31Å; M194-Y228 HydrophobicContact SD-CD1 4.27Å; A205-Y228 HydrophobicContact CB-CD1 4.01Å; A205-Y228 HydrophobicContact CB-CD2 4.39Å; A205-Y228 HydrophobicContact CB-CE1 3.43Å; A205-Y228 VanDerWaalsContact CB-CE1 3.43Å; A205-Y228 HydrophobicContact CB-CE2 3.86Å; A205-Y228 HydrophobicContact CB-CG 4.46Å; I224-Y228 PolarHBondContact O-N 3.44Å; I225-Y228 CarbonylContact O-C 3.47Å; I225-Y228 WeakPolarHBondContact O-CA 3.38Å; I225-Y228 WeakPolarHBondContact O-CB 3.37Å; I225-Y228 PolarHBondContact O-N 2.83Å; L226-Y228 VanDerWaalsContact C-N 3.31Å; L226-Y228 PolarHBondContact O-N 2.79Å; Y228-Y230 VanDerWaalsContact C-N 3.3Å; Y228-Y230 PolarHBondContact O-N 3.47Å; Y228-Q231 VanDerWaalsContact O-CD 3.29Å; Y228-Q231 WeakPolarHBondContact O-CG 3.28Å; Y228-Q231 PolarHBondContact O-N 3.26Å; Y228-Q231 PolarHBondContact O-NE2 3.45Å; Y228-F232 HydrophobicContact CD1-CE2 4.25Å; Y228-F232 AromaticContact CE1-CE2 3.75Å; Y228-F232 HydrophobicContact CE1-CE2 3.75Å; Y228-F232 HydrophobicContact CE1-CZ 4.42Å
229	I	98.2	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.7	-24.7	-177.5	65.7	175.2	0	0	0	112.9	L163 Y165 M194 I225 L226 Q231 F232 F239 L294	L163-I229 HydrophobicContact CD2-CG2 4.3Å; Y165-I229 HydrophobicContact CD1-CD1 3.93Å; Y165-I229 HydrophobicContact CD1-CG2 4.47Å; Y165-I229 HydrophobicContact CD2-CD1 4.41Å; Y165-I229 HydrophobicContact CE1-CD1 3.61Å; Y165-I229 HydrophobicContact CE2-CD1 4.06Å; Y165-I229 HydrophobicContact CG-CD1 4.32Å; Y165-I229 HydrophobicContact CG-CG2 4.21Å; M194-I229 HydrophobicContact CE-CG2 3.39Å; I225-I229 HydrophobicContact CG2-CG2 4.26Å; I225-I229 WeakPolarHBondContact O-CG1 3.06Å; I225-I229 PolarHBondContact O-N 2.77Å; L226-I229 HydrophobicContact CD2-CD1 4.33Å; L226-I229 WeakPolarHBondContact O-CG1 3.37Å; L226-I229 PolarHBondContact O-N 2.97Å; I229-Q231 PolarHBondContact O-N 3.41Å; I229-F232 WeakPolarHBondContact O-CB 3.33Å; I229-F232 PolarHBondContact O-N 3Å; I229-F239 HydrophobicContact CB-CD1 4.37Å; I229-F239 HydrophobicContact CD1-CB 4.46Å; I229-F239 HydrophobicContact CD1-CD1 4.25Å; I229-L294 HydrophobicContact CD1-CD1 3.93Å; I229-L294 HydrophobicContact CD1-CD2 4.31Å; I229-L294 HydrophobicContact CG1-CD1 3.92Å; I229-L294 HydrophobicContact CG1-CD2 4.11Å
230	Y	98.4	Very high	97.9	Very high	49 Å²	49	35.8 Å²	35.8	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-24	175.9	175.8	-95	0	0	0	113.5	L226 Y228 F232 R233 K295 V298 E299	L226-Y230 WeakPolarHBondContact O-CB 3.45Å; L226-Y230 PolarHBondContact O-N 3.2Å; Y228-Y230 VanDerWaalsContact C-N 3.3Å; Y228-Y230 PolarHBondContact O-N 3.47Å; Y230-F232 PolarHBondContact O-N 2.83Å; Y230-R233 HydrophobicContact CD2-CB 4.39Å; Y230-R233 HydrophobicContact CE2-CG 4.49Å; Y230-R233 VanDerWaalsContact CZ-NE 3.28Å; Y230-R233 VanDerWaalsContact O-CB 3.25Å; Y230-R233 WeakPolarHBondContact O-CB 3.49Å; Y230-R233 VanDerWaalsContact O-CD 3.25Å; Y230-R233 WeakPolarHBondContact O-CD 3.38Å; Y230-R233 VanDerWaalsContact O-CG 3.24Å; Y230-R233 WeakPolarHBondContact O-CG 3.32Å; Y230-R233 PolarHBondContact O-N 3.12Å; Y230-R233 VanDerWaalsContact O-N 3.11Å; Y230-R233 PolarHBondContact O-NH1 3.18Å; Y230-R233 VanDerWaalsContact O-NH1 3.17Å; Y230-R233 PolarHBondContact OH-NE 3.31Å; Y230-K295 HydrophobicContact CE2-CG 4.29Å; Y230-V298 HydrophobicContact CD1-CG1 4.04Å; Y230-V298 HydrophobicContact CD2-CB 3.64Å; Y230-V298 HydrophobicContact CD2-CG1 3.71Å; Y230-V298 HydrophobicContact CD2-CG2 4.07Å; Y230-V298 HydrophobicContact CE1-CG1 4.45Å; Y230-V298 HydrophobicContact CE2-CB 4.14Å; Y230-V298 HydrophobicContact CE2-CG1 4.15Å; Y230-V298 HydrophobicContact CG-CB 4.05Å; Y230-V298 HydrophobicContact CG-CG1 3.66Å; Y230-V298 HydrophobicContact CG-CG2 4.29Å; Y230-E299 HydrophobicContact CE2-CG 3.77Å; Y230-E299 WeakPolarHBondContact CE2-OE1 3.43Å; Y230-E299 WeakPolarHBondContact OH-CG 3.25Å; Y230-E299 PolarHBondContact OH-OE1 2.86Å
231	Q	98.1	Very high	98	Very high	101 Å²	101	35.5 Å²	35.5	47%	0.472	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.4	171.8	82.1	-166.4	-52.5	0	0	112.2	Y228 I229	Y228-Q231 VanDerWaalsContact O-CD 3.29Å; Y228-Q231 WeakPolarHBondContact O-CG 3.28Å; Y228-Q231 PolarHBondContact O-N 3.26Å; Y228-Q231 PolarHBondContact O-NE2 3.45Å; I229-Q231 PolarHBondContact O-N 3.41Å
232	F	98.2	Very high	98.1	Very high	25 Å²	25	35 Å²	35	11%	0.11	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.7	178.3	-54.5	-72.4	0	0	0	113.5	L163 I192 Y228 I229 Y230 N234 D235 Y236 F239	L163-F232 HydrophobicContact CD1-CB 3.81Å; L163-F232 HydrophobicContact CD1-CD2 3.65Å; L163-F232 HydrophobicContact CD1-CE2 4.38Å; L163-F232 HydrophobicContact CD1-CG 3.75Å; I192-F232 HydrophobicContact CD1-CE2 3.87Å; I192-F232 HydrophobicContact CD1-CZ 4.19Å; Y228-F232 HydrophobicContact CD1-CE2 4.25Å; Y228-F232 AromaticContact CE1-CE2 3.75Å; Y228-F232 HydrophobicContact CE1-CE2 3.75Å; Y228-F232 HydrophobicContact CE1-CZ 4.42Å; I229-F232 WeakPolarHBondContact O-CB 3.33Å; I229-F232 PolarHBondContact O-N 3Å; Y230-F232 PolarHBondContact O-N 2.83Å; F232-N234 PolarHBondContact O-N 3.24Å; F232-D235 PolarHBondContact O-N 2.96Å; F232-Y236 HydrophobicContact CB-CD2 3.86Å; F232-Y236 HydrophobicContact CB-CE2 3.96Å; F232-Y236 HydrophobicContact CD1-CE2 4.32Å; F232-Y236 HydrophobicContact CG-CE2 4.37Å; F232-Y236 PolarHBondContact O-N 2.64Å; F232-F239 HydrophobicContact CB-CE1 4.22Å
233	R	98.1	Very high	98.2	Very high	67 Å²	67	36.5 Å²	36.5	25%	0.253	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.6	-171.7	70.8	-163.6	-179.5	-71.2	-1.5	114.8	Y230 R291 L294 K295	Y230-R233 HydrophobicContact CD2-CB 4.39Å; Y230-R233 HydrophobicContact CE2-CG 4.49Å; Y230-R233 VanDerWaalsContact CZ-NE 3.28Å; Y230-R233 VanDerWaalsContact O-CB 3.25Å; Y230-R233 WeakPolarHBondContact O-CB 3.49Å; Y230-R233 VanDerWaalsContact O-CD 3.25Å; Y230-R233 WeakPolarHBondContact O-CD 3.38Å; Y230-R233 VanDerWaalsContact O-CG 3.24Å; Y230-R233 WeakPolarHBondContact O-CG 3.32Å; Y230-R233 PolarHBondContact O-N 3.12Å; Y230-R233 VanDerWaalsContact O-N 3.11Å; Y230-R233 PolarHBondContact O-NH1 3.18Å; Y230-R233 VanDerWaalsContact O-NH1 3.17Å; Y230-R233 PolarHBondContact OH-NE 3.31Å; R233-R291 WeakPolarHBondContact O-CD 3.35Å; R233-R291 WeakPolarHBondContact O-CG 3.19Å; R233-L294 HydrophobicContact CB-CD2 4.4Å; R233-K295 HydrophobicContact CB-CG 4.38Å; R233-K295 HydrophobicContact CG-CG 4.49Å
234	N	97.7	Very high	98.2	Very high	88 Å²	88	35.5 Å²	35.5	47%	0.471	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.5	-179.4	-63.8	-31.9	0	0	0	112.9	F232 K295	F232-N234 PolarHBondContact O-N 3.24Å; N234-K295 WeakPolarHBondContact OD1-CE 3.19Å; N234-K295 PolarHBondContact OD1-NZ 3.06Å; N234-K295 VanDerWaalsContact OD1-NZ 3.13Å
235	D	98.2	Very high	98.2	Very high	84 Å²	84	34.5 Å²	34.5	45%	0.449	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.5	-176.4	-58.3	-30.9	0	0	0	112.8	R161 F232	R161-D235 PolarHBondContact NE-O 3.4Å; R161-D235 PolarHBondContact NH1-O 3.08Å; F232-D235 PolarHBondContact O-N 2.96Å
236	Y	98.7	Very high	98.2	Very high	30 Å²	30	34.5 Å²	34.5	12%	0.118	16%	0.156	C	C	.	.			trans	-131.2	158.1	-177.4	-58.1	-91.3	0	0	0	111.1	R161 L163 T189 K190 F232 R291	R161-Y236 HydrophobicContact CB-CD1 4.03Å; L163-Y236 HydrophobicContact CB-CD1 3.88Å; L163-Y236 HydrophobicContact CB-CD2 3.93Å; L163-Y236 HydrophobicContact CB-CE1 4.24Å; L163-Y236 HydrophobicContact CB-CE2 4.33Å; L163-Y236 HydrophobicContact CB-CG 3.74Å; L163-Y236 HydrophobicContact CD1-CD2 3.9Å; L163-Y236 HydrophobicContact CD1-CE2 3.79Å; T189-Y236 HydrophobicContact CG2-CD1 4.4Å; T189-Y236 HydrophobicContact CG2-CE1 3.91Å; K190-Y236 HydrophobicContact CB-CE1 3.73Å; K190-Y236 VanDerWaalsContact CB-OH 3.29Å; K190-Y236 WeakPolarHBondContact CB-OH 3.13Å; K190-Y236 WeakPolarHBondContact CD-OH 3.42Å; F232-Y236 HydrophobicContact CB-CD2 3.86Å; F232-Y236 HydrophobicContact CB-CE2 3.96Å; F232-Y236 HydrophobicContact CD1-CE2 4.32Å; F232-Y236 HydrophobicContact CG-CE2 4.37Å; F232-Y236 PolarHBondContact O-N 2.64Å; Y236-R291 PolarHBondContact O-NH1 2.83Å; Y236-R291 VanDerWaalsContact O-NH1 3.11Å
237	D	98.7	Very high	98.2	Very high	18 Å²	18	34.5 Å²	34.5	10%	0.096	16%	0.156	C	C	.	.	S	Bend	trans	-93	-34.9	179.6	-54.2	-47.3	0	0	0	110.5	R161 P262 R291	R161-D237 WeakPolarHBondContact CB-OD2 3.12Å; R161-D237 IonicContact CZ-OD1 2.6Å; R161-D237 PolarHBondContact N-OD2 3.37Å; R161-D237 IonicContact NE-OD1 3.37Å; R161-D237 IonicContact NE-OD2 3.73Å; R161-D237 PolarHBondContact NE-OD2 2.66Å; R161-D237 IonicContact NH2-OD1 3.51Å; R161-D237 PolarHBondContact NH2-OD1 3.07Å; R161-D237 IonicContact NH2-OD2 2.94Å; R161-D237 WeakPolarHBondContact O-CB 3.48Å; R161-D237 PolarHBondContact O-N 3.16Å; D237-P262 HydrophobicContact CB-CB 3.78Å; D237-P262 HydrophobicContact CB-CG 4.07Å; D237-P262 WeakPolarHBondContact O-CB 3.46Å; D237-R291 PolarHBondContact O-N 3.38Å; D237-R291 IonicContact OD1-CZ 3.48Å; D237-R291 IonicContact OD1-NH1 2.87Å; D237-R291 PolarHBondContact OD1-NH1 3.29Å
238	Y	98.9	Very high	98.3	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.5	-177.8	-58.6	-69.7	0	0	0	112.5	I160 R161 I162 L163 L257 Y260 P262 F266 V288 L289	I160-Y238 HydrophobicContact CG2-CD2 3.48Å; I160-Y238 VanDerWaalsContact CG2-CD2 3.48Å; I160-Y238 HydrophobicContact CG2-CE2 3.67Å; R161-Y238 PolarHBondContact O-N 2.9Å; I162-Y238 WeakPolarHBondContact CA-O 3.42Å; L163-Y238 PolarHBondContact N-O 3.12Å; Y238-L257 HydrophobicContact CD1-CD1 4.43Å; Y238-L257 HydrophobicContact CD1-CD2 3.81Å; Y238-L257 HydrophobicContact CD2-CB 4.08Å; Y238-L257 HydrophobicContact CD2-CD1 3.74Å; Y238-L257 HydrophobicContact CD2-CD2 4.28Å; Y238-L257 HydrophobicContact CD2-CG 4.26Å; Y238-L257 HydrophobicContact CE1-CD2 3.88Å; Y238-L257 HydrophobicContact CE2-CB 3.74Å; Y238-L257 HydrophobicContact CE2-CD1 4.28Å; Y238-L257 HydrophobicContact CE2-CD2 4.28Å; Y238-L257 HydrophobicContact CE2-CG 4.33Å; Y238-L257 HydrophobicContact CG-CD1 3.81Å; Y238-L257 HydrophobicContact CG-CD2 4.03Å; Y238-L257 HydrophobicContact CG-CG 4.39Å; Y238-L257 PolarHBondContact OH-O 2.86Å; Y238-L257 VanDerWaalsContact OH-O 3.09Å; Y238-Y260 VanDerWaalsContact OH-C 3.28Å; Y238-Y260 PolarHBondContact OH-O 3.4Å; Y238-P262 HydrophobicContact CE1-CB 4.23Å; Y238-F266 HydrophobicContact CD1-CZ 4.31Å; Y238-F266 HydrophobicContact CE1-CE1 4.17Å; Y238-F266 AromaticContact CE1-CZ 3.58Å; Y238-F266 HydrophobicContact CE1-CZ 3.58Å; Y238-V288 HydrophobicContact CD1-CG1 4.17Å; Y238-V288 HydrophobicContact CG-CG1 4.38Å; Y238-L289 WeakPolarHBondContact CA-O 3.01Å
239	F	98.9	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	112.6	179.2	-60.9	-97.9	0	0	0	109.4	L163 Y165 I229 F232 V288 L289 R291 L294	L163-F239 HydrophobicContact CB-CD1 3.95Å; L163-F239 HydrophobicContact CB-CE1 4.12Å; L163-F239 HydrophobicContact CD1-CE1 4.26Å; L163-F239 HydrophobicContact CD2-CD1 4.29Å; L163-F239 HydrophobicContact CG-CD1 4.48Å; L163-F239 CarbonylContact O-C 3.57Å; L163-F239 VanDerWaalsContact O-CA 3.32Å; L163-F239 WeakPolarHBondContact O-CA 3.32Å; Y165-F239 HydrophobicContact CD1-CB 4.42Å; Y165-F239 HydrophobicContact CE1-CB 3.88Å; I229-F239 HydrophobicContact CB-CD1 4.37Å; I229-F239 HydrophobicContact CD1-CB 4.46Å; I229-F239 HydrophobicContact CD1-CD1 4.25Å; F232-F239 HydrophobicContact CB-CE1 4.22Å; F239-V288 CarbonylContact O-C 3.55Å; F239-V288 WeakPolarHBondContact O-CA 2.99Å; F239-L289 HydrophobicContact CB-CB 4.28Å; F239-L289 PolarHBondContact N-O 3.18Å; F239-L289 PolarHBondContact O-N 3.16Å; F239-R291 HydrophobicContact CE2-CB 4.4Å; F239-L294 HydrophobicContact CD1-CD2 3.74Å; F239-L294 HydrophobicContact CD2-CB 4.31Å; F239-L294 HydrophobicContact CD2-CD2 3.66Å; F239-L294 HydrophobicContact CE1-CD2 3.69Å; F239-L294 HydrophobicContact CE2-CD2 3.64Å; F239-L294 HydrophobicContact CG-CD2 3.76Å; F239-L294 HydrophobicContact CZ-CD2 3.67Å
240	L	98.8	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.2	-177.7	172.4	67.1	0	0	0	110.9	I162 L163 C164 Y165 W184 T242 I248 M250 L253 V288	I162-L240 HydrophobicContact CD1-CB 4.02Å; I162-L240 HydrophobicContact CG1-CB 4.3Å; L163-L240 PolarHBondContact O-N 2.81Å; C164-L240 CarbonylContact C-O 3.56Å; C164-L240 WeakPolarHBondContact CA-O 3.49Å; Y165-L240 WeakPolarHBondContact CD1-O 3.47Å; Y165-L240 VanDerWaalsContact CE1-C 3.42Å; Y165-L240 WeakPolarHBondContact CE1-O 3.22Å; Y165-L240 PolarHBondContact N-O 3.37Å; W184-L240 HydrophobicContact CH2-CD2 4.4Å; W184-L240 HydrophobicContact CZ3-CD2 4.13Å; L240-T242 HydrophobicContact CD1-CG2 4.24Å; L240-T242 HydrophobicContact CD2-CG2 4.22Å; L240-T242 HydrophobicContact CG-CG2 4.02Å; L240-I248 HydrophobicContact CD2-CG1 4.1Å; L240-I248 HydrophobicContact CD2-CG2 4.12Å; L240-M250 HydrophobicContact CD2-SD 4.09Å; L240-L253 HydrophobicContact CD1-CD2 4.23Å; L240-L253 HydrophobicContact CD2-CD2 3.77Å; L240-L253 HydrophobicContact CG-CD2 4.45Å; L240-V288 HydrophobicContact CB-CG2 4.37Å; L240-V288 HydrophobicContact CD1-CG2 3.61Å
241	K	98.6	Very high	98.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.017	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.9	168.3	-170.8	-94.1	-171.6	177.3	0	110.1	Y165 F222 D243 G283 G286 Y287 E316	Y165-K241 HydrophobicContact CD2-CB 4.46Å; Y165-K241 HydrophobicContact CD2-CG 4.4Å; Y165-K241 HydrophobicContact CE1-CB 4.14Å; Y165-K241 HydrophobicContact CE2-CB 3.72Å; Y165-K241 HydrophobicContact CE2-CG 3.75Å; Y165-K241 WeakPolarHBondContact OH-CB 3.32Å; F222-K241 HydrophobicContact CE1-CD 4.31Å; F222-K241 HydrophobicContact CE1-CG 3.59Å; F222-K241 HydrophobicContact CZ-CD 4.17Å; F222-K241 HydrophobicContact CZ-CG 3.85Å; K241-D243 IonicContact NZ-OD1 2.79Å; K241-D243 PolarHBondContact NZ-OD1 3.06Å; K241-D243 IonicContact NZ-OD2 3.42Å; K241-G283 VanDerWaalsContact NZ-C 3.33Å; K241-G283 PolarHBondContact NZ-O 3.2Å; K241-G286 WeakPolarHBondContact O-CA 3.46Å; K241-Y287 HydrophobicContact CB-CD1 4.47Å; K241-Y287 HydrophobicContact CB-CD2 3.85Å; K241-Y287 HydrophobicContact CB-CE1 4.15Å; K241-Y287 HydrophobicContact CB-CE2 3.45Å; K241-Y287 VanDerWaalsContact CB-CE2 3.45Å; K241-Y287 HydrophobicContact CB-CG 4.32Å; K241-Y287 HydrophobicContact CD-CD1 4.25Å; K241-Y287 HydrophobicContact CD-CE1 3.64Å; K241-Y287 HydrophobicContact CD-CE2 4.48Å; K241-Y287 HydrophobicContact CG-CE1 4.02Å; K241-Y287 HydrophobicContact CG-CE2 3.96Å; K241-Y287 WeakPolarHBondContact CG-OH 3.3Å; K241-Y287 PolarHBondContact N-O 3.04Å; K241-Y287 PolarHBondContact O-N 3.06Å; K241-E316 WeakPolarHBondContact CE-OE1 3.18Å; K241-E316 IonicContact NZ-OE2 3.78Å
242	T	98.5	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	161.8	166.6	54.4	0	0	0	0	111.4	Y165 I166 N167 W184 L240 T246 I248	Y165-T242 PolarHBondContact O-N 3.25Å; Y165-T242 VanDerWaalsContact O-N 3.16Å; I166-T242 WeakPolarHBondContact CA-O 3.46Å; I166-T242 VanDerWaalsContact CG1-OG1 3.3Å; I166-T242 WeakPolarHBondContact CG1-OG1 3.44Å; N167-T242 PolarHBondContact N-O 3.41Å; W184-T242 HydrophobicContact CH2-CG2 3.75Å; W184-T242 WeakPolarHBondContact CH2-OG1 3.24Å; W184-T242 HydrophobicContact CZ2-CG2 3.99Å; L240-T242 HydrophobicContact CD1-CG2 4.24Å; L240-T242 HydrophobicContact CD2-CG2 4.22Å; L240-T242 HydrophobicContact CG-CG2 4.02Å; T242-T246 HydrophobicContact CG2-CG2 4.08Å; T242-I248 HydrophobicContact CG2-CD1 3.77Å; T242-I248 HydrophobicContact CG2-CG1 3.73Å
243	D	98	Very high	98	Very high	31 Å²	31	21.2 Å²	21.2	17%	0.166	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	165	165.5	-66.7	-15.6	0	0	0	110.7	K241 D245 T246 H389	K241-D243 IonicContact NZ-OD1 2.79Å; K241-D243 PolarHBondContact NZ-OD1 3.06Å; K241-D243 IonicContact NZ-OD2 3.42Å; D243-D245 WeakPolarHBondContact CB-OD1 3.22Å; D243-D245 PolarHBondContact O-N 3.1Å; D243-T246 PolarHBondContact N-OG1 3.35Å; D243-T246 VanDerWaalsContact N-OG1 3.1Å; D243-T246 WeakPolarHBondContact O-CB 3.17Å; D243-T246 PolarHBondContact O-N 3.42Å; D243-T246 VanDerWaalsContact O-N 3.12Å; D243-T246 PolarHBondContact O-OG1 3.49Å; D243-H389 IonicContact OD2-NE2 3.92Å
244	D	97.5	Very high	97.9	Very high	12 Å²	12	18 Å²	18	6%	0.064	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	5.9	-177	62.5	13.7	0	0	0	116	I166 N167 T168 N172 K176 I180	I166-D244 HydrophobicContact CG2-CB 4.43Å; N167-D244 PolarHBondContact O-N 3.36Å; N167-D244 VanDerWaalsContact O-N 3.17Å; T168-D244 WeakPolarHBondContact CB-OD2 3.01Å; T168-D244 PolarHBondContact OG1-OD2 3.47Å; N172-D244 WeakPolarHBondContact CB-OD2 3.44Å; N172-D244 PolarHBondContact ND2-OD2 3.4Å; K176-D244 HydrophobicContact CB-CB 4.01Å; K176-D244 WeakPolarHBondContact CB-O 3.31Å; K176-D244 HydrophobicContact CD-CB 4.29Å; K176-D244 VanDerWaalsContact CD-CG 3.47Å; K176-D244 WeakPolarHBondContact CD-OD1 3.39Å; K176-D244 IonicContact NZ-OD1 2.8Å; K176-D244 PolarHBondContact NZ-OD1 2.89Å; K176-D244 VanDerWaalsContact NZ-OD1 3.07Å; I180-D244 VanDerWaalsContact CD1-CA 3.41Å; I180-D244 HydrophobicContact CD1-CB 4.33Å; I180-D244 WeakPolarHBondContact CD1-O 3.49Å
245	D	97.6	Very high	97.8	Very high	25 Å²	25	16 Å²	16	13%	0.134	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	25.4	172.9	49.2	13.1	0	0	0	112.6	K176 D243 H389 Y390 I391	K176-D245 HydrophobicContact CD-CB 4.39Å; K176-D245 IonicContact NZ-OD2 2.62Å; K176-D245 PolarHBondContact NZ-OD2 2.68Å; D243-D245 WeakPolarHBondContact CB-OD1 3.22Å; D243-D245 PolarHBondContact O-N 3.1Å; D245-H389 IonicContact OD1-CD2 3.25Å; D245-H389 PolarHBondContact OD1-CD2 2.9Å; D245-H389 IonicContact OD1-CE1 3.08Å; D245-H389 IonicContact OD1-NE2 3.77Å; D245-H389 PolarHBondContact OD1-NE2 2.86Å; D245-Y390 PolarHBondContact O-N 3.06Å; D245-I391 PolarHBondContact O-N 3.38Å
246	T	98.3	Very high	97.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.			trans	-99.4	136.9	172	-40	0	0	0	0	110.3	W184 T242 D243 I248 G284 F388 H389	W184-T246 PolarHBondContact NE1-O 2.72Å; T242-T246 HydrophobicContact CG2-CG2 4.08Å; D243-T246 PolarHBondContact N-OG1 3.35Å; D243-T246 VanDerWaalsContact N-OG1 3.1Å; D243-T246 WeakPolarHBondContact O-CB 3.17Å; D243-T246 PolarHBondContact O-N 3.42Å; D243-T246 VanDerWaalsContact O-N 3.12Å; D243-T246 PolarHBondContact O-OG1 3.49Å; T246-I248 HydrophobicContact CG2-CD1 3.72Å; T246-I248 HydrophobicContact CG2-CG1 4.36Å; T246-G284 WeakPolarHBondContact CG2-O 3.5Å; T246-G284 PolarHBondContact OG1-O 2.84Å; T246-G284 VanDerWaalsContact OG1-O 3.12Å; T246-F388 CarbonylContact C-O 3.59Å; T246-F388 WeakPolarHBondContact CA-O 3.44Å; T246-F388 WeakPolarHBondContact CG2-O 3.47Å; T246-H389 PolarHBondContact OG1-CD2 3.44Å
247	Y	97.8	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.5	167.4	-168.3	-86.8	0	0	0	109.8	W184 I249 S387 F388 L396 L399 E400 L403 Y404	W184-Y247 HydrophobicContact CB-CE2 4.24Å; W184-Y247 AromaticContact CD1-CD2 3.89Å; Y247-I249 HydrophobicContact CD1-CG1 4.25Å; Y247-I249 HydrophobicContact CE1-CG1 3.99Å; Y247-S387 VanDerWaalsContact O-CA 3.25Å; Y247-S387 WeakPolarHBondContact O-CA 3.42Å; Y247-F388 PolarHBondContact N-O 3.07Å; Y247-F388 PolarHBondContact O-N 3.41Å; Y247-L396 HydrophobicContact CD2-CB 4.35Å; Y247-L396 HydrophobicContact CD2-CG 3.94Å; Y247-L396 HydrophobicContact CE2-CG 4.31Å; Y247-L396 WeakPolarHBondContact CE2-O 3.15Å; Y247-L399 HydrophobicContact CD1-CB 4.38Å; Y247-L399 HydrophobicContact CD1-CD1 3.98Å; Y247-L399 HydrophobicContact CD2-CB 4.2Å; Y247-L399 HydrophobicContact CD2-CD1 4.14Å; Y247-L399 HydrophobicContact CE1-CB 4.16Å; Y247-L399 HydrophobicContact CE2-CB 3.98Å; Y247-L399 HydrophobicContact CG-CB 4.4Å; Y247-L399 HydrophobicContact CG-CD1 3.75Å; Y247-E400 WeakPolarHBondContact OH-CA 3.41Å; Y247-E400 PolarHBondContact OH-OE2 2.99Å; Y247-L403 HydrophobicContact CE1-CD1 3.6Å; Y247-Y404 WeakPolarHBondContact OH-CE2 3.49Å
248	I	98.3	Very high	97.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.9	179	-51.8	-66.8	0	0	0	110.6	W184 L240 T242 T246 M250 L253 I386	W184-I248 VanDerWaalsContact CB-O 3.24Å; W184-I248 WeakPolarHBondContact CB-O 3.49Å; W184-I248 HydrophobicContact CD2-CB 3.84Å; W184-I248 HydrophobicContact CD2-CG1 4.05Å; W184-I248 HydrophobicContact CE3-CB 3.62Å; W184-I248 HydrophobicContact CE3-CG1 3.92Å; W184-I248 HydrophobicContact CG-CB 4.41Å; W184-I248 HydrophobicContact CH2-CB 4.38Å; W184-I248 HydrophobicContact CH2-CG1 3.74Å; W184-I248 HydrophobicContact CZ2-CG1 3.86Å; W184-I248 HydrophobicContact CZ3-CB 3.9Å; W184-I248 HydrophobicContact CZ3-CG1 3.75Å; L240-I248 HydrophobicContact CD2-CG1 4.1Å; L240-I248 HydrophobicContact CD2-CG2 4.12Å; T242-I248 HydrophobicContact CG2-CD1 3.77Å; T242-I248 HydrophobicContact CG2-CG1 3.73Å; T246-I248 HydrophobicContact CG2-CD1 3.72Å; T246-I248 HydrophobicContact CG2-CG1 4.36Å; I248-M250 HydrophobicContact CB-SD 4.12Å; I248-M250 HydrophobicContact CG2-CG 4.33Å; I248-M250 HydrophobicContact CG2-SD 3.47Å; I248-M250 WeakPolarHBondContact CG2-SD 3.35Å; I248-M250 PolarHBondContact O-N 3.05Å; I248-L253 HydrophobicContact CG2-CD2 4.33Å; I248-I386 CarbonylContact C-O 3.6Å; I248-I386 VanDerWaalsContact CA-O 3.32Å; I248-I386 WeakPolarHBondContact CA-O 3.34Å; I248-I386 HydrophobicContact CG2-CG2 4.3Å
249	I	97.5	Very high	97.2	Very high	15 Å²	15	17.2 Å²	17.2	8%	0.077	9%	0.089	C	C	.	.			trans	-91.5	89.6	169.7	-55.5	164.2	0	0	0	107.2	Y247 E251 N252 L253 A385 I386 F388 L403	Y247-I249 HydrophobicContact CD1-CG1 4.25Å; Y247-I249 HydrophobicContact CE1-CG1 3.99Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.1Å; I249-N252 HydrophobicContact CB-CB 4.21Å; I249-N252 HydrophobicContact CG2-CB 3.98Å; I249-N252 WeakPolarHBondContact CG2-ND2 3.28Å; I249-N252 WeakPolarHBondContact O-CB 3.41Å; I249-N252 PolarHBondContact O-N 3.12Å; I249-L253 PolarHBondContact O-N 2.97Å; I249-L253 VanDerWaalsContact O-N 3.12Å; I249-A385 WeakPolarHBondContact CD1-O 3.47Å; I249-I386 PolarHBondContact N-O 3.16Å; I249-F388 HydrophobicContact CD1-CE2 3.99Å; I249-L403 HydrophobicContact CD1-CD1 3.97Å; I249-L403 HydrophobicContact CD1-CD2 4.4Å; I249-L403 HydrophobicContact CG1-CD1 3.89Å
250	M	97.9	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-37.3	-170.3	-70.6	-56.4	-60.7	0	0	112.8	Y157 I162 W184 R187 C188 L240 I248 N252 L253 L254	Y157-M250 HydrophobicContact CE1-CB 4.49Å; Y157-M250 WeakPolarHBondContact OH-CB 3.42Å; I162-M250 HydrophobicContact CD1-CE 4.15Å; I162-M250 HydrophobicContact CG2-CE 3.6Å; W184-M250 HydrophobicContact CE3-CG 4.22Å; W184-M250 HydrophobicContact CE3-SD 3.96Å; W184-M250 HydrophobicContact CZ3-SD 4Å; R187-M250 HydrophobicContact CB-CB 3.91Å; R187-M250 HydrophobicContact CB-CG 3.79Å; C188-M250 HydrophobicContact CB-CE 4.5Å; L240-M250 HydrophobicContact CD2-SD 4.09Å; I248-M250 HydrophobicContact CB-SD 4.12Å; I248-M250 HydrophobicContact CG2-CG 4.33Å; I248-M250 HydrophobicContact CG2-SD 3.47Å; I248-M250 WeakPolarHBondContact CG2-SD 3.35Å; I248-M250 PolarHBondContact O-N 3.05Å; M250-N252 VanDerWaalsContact C-N 3.32Å; M250-N252 PolarHBondContact O-N 3.2Å; M250-L253 HydrophobicContact CE-CD2 4.27Å; M250-L253 WeakPolarHBondContact O-CB 3.39Å; M250-L253 PolarHBondContact O-N 2.71Å; M250-L253 HydrophobicContact SD-CD2 4.38Å; M250-L254 VanDerWaalsContact O-CG 3.32Å; M250-L254 WeakPolarHBondContact O-CG 3.3Å; M250-L254 PolarHBondContact O-N 3.04Å
251	E	95.4	Very high	97	Very high	39 Å²	39	22.5 Å²	22.5	18%	0.182	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-41.8	176.9	-66.6	76.6	-168.1	0	0	112	Y157 R187 I249 L253 N255 Y404	Y157-E251 HydrophobicContact CE2-CG 4.09Å; Y157-E251 PolarHBondContact OH-OE1 2.81Å; R187-E251 WeakPolarHBondContact CD-OE1 2.99Å; R187-E251 IonicContact NE-OE1 3.81Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.1Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-N255 VanDerWaalsContact O-CB 3.28Å; E251-N255 WeakPolarHBondContact O-CB 3.18Å; E251-N255 PolarHBondContact O-N 2.81Å; E251-Y404 WeakPolarHBondContact OE2-CE1 3.44Å; E251-Y404 PolarHBondContact OE2-OH 3.02Å
252	N	95.9	Very high	97	Very high	29 Å²	29	23.3 Å²	23.3	16%	0.155	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-36.4	177.6	-71.6	-11	0	0	0	111.2	I249 M250 V256 A385 I386	I249-N252 HydrophobicContact CB-CB 4.21Å; I249-N252 HydrophobicContact CG2-CB 3.98Å; I249-N252 WeakPolarHBondContact CG2-ND2 3.28Å; I249-N252 WeakPolarHBondContact O-CB 3.41Å; I249-N252 PolarHBondContact O-N 3.12Å; M250-N252 VanDerWaalsContact C-N 3.32Å; M250-N252 PolarHBondContact O-N 3.2Å; N252-V256 PolarHBondContact O-N 3.23Å; N252-A385 PolarHBondContact ND2-O 2.82Å; N252-I386 HydrophobicContact CB-CG1 4.1Å
253	L	98	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-50.6	175.1	176.1	56.1	0	0	0	111.6	I162 L240 I248 I249 M250 E251 N255 V256 L257 V288 F343 I386	I162-L253 HydrophobicContact CD1-CD2 3.73Å; I162-L253 HydrophobicContact CD1-CG 4.46Å; L240-L253 HydrophobicContact CD1-CD2 4.23Å; L240-L253 HydrophobicContact CD2-CD2 3.77Å; L240-L253 HydrophobicContact CG-CD2 4.45Å; I248-L253 HydrophobicContact CG2-CD2 4.33Å; I249-L253 PolarHBondContact O-N 2.97Å; I249-L253 VanDerWaalsContact O-N 3.12Å; M250-L253 HydrophobicContact CE-CD2 4.27Å; M250-L253 WeakPolarHBondContact O-CB 3.39Å; M250-L253 PolarHBondContact O-N 2.71Å; M250-L253 HydrophobicContact SD-CD2 4.38Å; E251-L253 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.07Å; L253-V256 PolarHBondContact O-N 3.04Å; L253-L257 HydrophobicContact CD1-CD1 3.81Å; L253-L257 HydrophobicContact CD1-CG 3.92Å; L253-L257 HydrophobicContact CD2-CD1 4.34Å; L253-L257 HydrophobicContact CG-CD1 3.75Å; L253-L257 HydrophobicContact CG-CG 4.29Å; L253-L257 WeakPolarHBondContact O-CG 2.94Å; L253-L257 PolarHBondContact O-N 3.31Å; L253-V288 HydrophobicContact CD1-CG2 3.89Å; L253-V288 HydrophobicContact CD2-CG2 4.15Å; L253-F343 HydrophobicContact CD1-CZ 3.95Å; L253-I386 HydrophobicContact CB-CG1 4.4Å; L253-I386 HydrophobicContact CB-CG2 3.89Å; L253-I386 HydrophobicContact CD1-CD1 4.18Å; L253-I386 HydrophobicContact CD1-CG2 4.16Å; L253-I386 HydrophobicContact CG-CG2 4.44Å
254	L	97.2	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-34.8	179	-66.6	-172.9	0	0	0	111.7	L156 Y157 I160 I162 M250 V256 L257 Q258	L156-L254 HydrophobicContact CB-CB 4.11Å; L156-L254 HydrophobicContact CB-CD1 4.4Å; L156-L254 HydrophobicContact CD1-CB 4.26Å; Y157-L254 HydrophobicContact CD1-CD1 3.27Å; Y157-L254 HydrophobicContact CE1-CD1 3.29Å; Y157-L254 HydrophobicContact CE1-CG 4.47Å; Y157-L254 HydrophobicContact CG-CD1 3.91Å; I160-L254 HydrophobicContact CB-CD2 4Å; I160-L254 HydrophobicContact CD1-CB 4.32Å; I160-L254 HydrophobicContact CD1-CD2 4.42Å; I160-L254 VanDerWaalsContact CD1-O 3.32Å; I160-L254 WeakPolarHBondContact CD1-O 3.46Å; I160-L254 HydrophobicContact CG2-CD2 3.66Å; I162-L254 HydrophobicContact CG2-CD2 4.14Å; M250-L254 VanDerWaalsContact O-CG 3.32Å; M250-L254 WeakPolarHBondContact O-CG 3.3Å; M250-L254 PolarHBondContact O-N 3.04Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.09Å; L254-L257 HydrophobicContact CD2-CD1 4.45Å; L254-L257 PolarHBondContact O-N 2.91Å; L254-Q258 PolarHBondContact O-N 2.84Å
255	N	94.4	Very high	97	Very high	44 Å²	44	31 Å²	31	24%	0.235	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-35.8	173.5	178	68	0	0	0	112.4	Y152 L156 E251 L253 Q258	Y152-N255 PolarHBondContact OH-OD1 3.27Å; L156-N255 HydrophobicContact CD1-CB 4.06Å; E251-N255 VanDerWaalsContact O-CB 3.28Å; E251-N255 WeakPolarHBondContact O-CB 3.18Å; E251-N255 PolarHBondContact O-N 2.81Å; L253-N255 PolarHBondContact O-N 3.07Å; N255-Q258 WeakPolarHBondContact O-CG 3.37Å; N255-Q258 PolarHBondContact O-NE2 3.17Å; N255-Q258 PolarHBondContact OD1-NE2 3.44Å
256	V	95.6	Very high	97.1	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	16%	0.158	C	C	.	.	H	α-helix	trans	-72.6	-47.7	172.5	172	0	0	0	0	110.9	N252 L253 L254 Q258 N259 Y260 L268 T334 R342 I386	N252-V256 PolarHBondContact O-N 3.23Å; L253-V256 PolarHBondContact O-N 3.04Å; L254-V256 VanDerWaalsContact C-N 3.29Å; L254-V256 PolarHBondContact O-N 3.09Å; V256-Q258 PolarHBondContact O-N 2.86Å; V256-N259 PolarHBondContact O-N 3.01Å; V256-Y260 HydrophobicContact CG1-CD2 4.47Å; V256-Y260 HydrophobicContact CG1-CE2 3.88Å; V256-Y260 WeakPolarHBondContact O-CD2 3.47Å; V256-L268 HydrophobicContact CG1-CD1 3.94Å; V256-T334 HydrophobicContact CG1-CG2 3.96Å; V256-R342 VanDerWaalsContact CG2-NH1 3.33Å; V256-I386 HydrophobicContact CB-CD1 4.32Å; V256-I386 HydrophobicContact CG2-CD1 3.85Å
257	L	97.5	Very high	97.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-20.5	-174.7	-68.6	174.7	0	0	0	114.2	I160 I162 Y238 L253 L254 N259 Y260 L268 V288	I160-L257 HydrophobicContact CD1-CB 4.28Å; I162-L257 HydrophobicContact CD1-CD1 3.79Å; Y238-L257 HydrophobicContact CD1-CD1 4.43Å; Y238-L257 HydrophobicContact CD1-CD2 3.81Å; Y238-L257 HydrophobicContact CD2-CB 4.08Å; Y238-L257 HydrophobicContact CD2-CD1 3.74Å; Y238-L257 HydrophobicContact CD2-CD2 4.28Å; Y238-L257 HydrophobicContact CD2-CG 4.26Å; Y238-L257 HydrophobicContact CE1-CD2 3.88Å; Y238-L257 HydrophobicContact CE2-CB 3.74Å; Y238-L257 HydrophobicContact CE2-CD1 4.28Å; Y238-L257 HydrophobicContact CE2-CD2 4.28Å; Y238-L257 HydrophobicContact CE2-CG 4.33Å; Y238-L257 HydrophobicContact CG-CD1 3.81Å; Y238-L257 HydrophobicContact CG-CD2 4.03Å; Y238-L257 HydrophobicContact CG-CG 4.39Å; Y238-L257 PolarHBondContact OH-O 2.86Å; Y238-L257 VanDerWaalsContact OH-O 3.09Å; L253-L257 HydrophobicContact CD1-CD1 3.81Å; L253-L257 HydrophobicContact CD1-CG 3.92Å; L253-L257 HydrophobicContact CD2-CD1 4.34Å; L253-L257 HydrophobicContact CG-CD1 3.75Å; L253-L257 HydrophobicContact CG-CG 4.29Å; L253-L257 WeakPolarHBondContact O-CG 2.94Å; L253-L257 PolarHBondContact O-N 3.31Å; L254-L257 HydrophobicContact CD2-CD1 4.45Å; L254-L257 PolarHBondContact O-N 2.91Å; L257-N259 PolarHBondContact O-N 3.1Å; L257-N259 VanDerWaalsContact O-N 3.16Å; L257-Y260 PolarHBondContact O-N 3.42Å; L257-Y260 VanDerWaalsContact O-N 3.14Å; L257-L268 HydrophobicContact CD2-CD1 3.63Å; L257-V288 HydrophobicContact CD1-CG1 4.43Å; L257-V288 HydrophobicContact CD2-CG1 4.06Å
258	Q	95.4	Very high	97.1	Very high	48 Å²	48	29.9 Å²	29.9	22%	0.224	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	177	88.1	-172.4	-76.4	0	0	113.7	Y152 L156 I160 L254 N255 V256	Y152-Q258 PolarHBondContact OH-NE2 3.47Å; Y152-Q258 PolarHBondContact OH-OE1 2.86Å; L156-Q258 HydrophobicContact CD2-CB 3.79Å; L156-Q258 HydrophobicContact CD2-CG 4.4Å; I160-Q258 HydrophobicContact CD1-CB 3.89Å; L254-Q258 PolarHBondContact O-N 2.84Å; N255-Q258 WeakPolarHBondContact O-CG 3.37Å; N255-Q258 PolarHBondContact O-NE2 3.17Å; N255-Q258 PolarHBondContact OD1-NE2 3.44Å; V256-Q258 PolarHBondContact O-N 2.86Å
259	N	94	Very high	97.1	Very high	102 Å²	102	29.9 Å²	29.9	55%	0.545	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.3	-177.7	-62.1	-28.5	0	0	0	112.7	V256 L257	V256-N259 PolarHBondContact O-N 3.01Å; L257-N259 PolarHBondContact O-N 3.1Å; L257-N259 VanDerWaalsContact O-N 3.16Å
260	Y	95.8	Very high	97.1	Very high	62 Å²	62	29.8 Å²	29.8	24%	0.243	16%	0.157	C	C	.	.	S	Bend	trans	-111.5	148.4	178	-65.9	-96.8	0	0	0	110	Y238 V256 L257 F266 L268 Y332	Y238-Y260 VanDerWaalsContact OH-C 3.28Å; Y238-Y260 PolarHBondContact OH-O 3.4Å; V256-Y260 HydrophobicContact CG1-CD2 4.47Å; V256-Y260 HydrophobicContact CG1-CE2 3.88Å; V256-Y260 WeakPolarHBondContact O-CD2 3.47Å; L257-Y260 PolarHBondContact O-N 3.42Å; L257-Y260 VanDerWaalsContact O-N 3.14Å; Y260-F266 HydrophobicContact CD1-CD1 4.23Å; Y260-F266 HydrophobicContact CD1-CD2 4.21Å; Y260-F266 AromaticContact CD1-CE1 3.89Å; Y260-F266 HydrophobicContact CD1-CE1 3.89Å; Y260-F266 AromaticContact CD1-CE2 3.86Å; Y260-F266 HydrophobicContact CD1-CE2 3.86Å; Y260-F266 HydrophobicContact CD1-CG 4.39Å; Y260-F266 AromaticContact CD1-CZ 3.68Å; Y260-F266 HydrophobicContact CD1-CZ 3.68Å; Y260-F266 HydrophobicContact CE1-CE2 4.47Å; Y260-F266 HydrophobicContact CG-CE1 4.07Å; Y260-F266 HydrophobicContact CG-CE2 4Å; Y260-F266 AromaticContact CG-CZ 3.59Å; Y260-F266 HydrophobicContact CG-CZ 3.59Å; Y260-L268 HydrophobicContact CE1-CD2 4.28Å; Y260-L268 HydrophobicContact CE2-CD1 4.37Å; Y260-Y332 HydrophobicContact CD1-CD2 4.48Å; Y260-Y332 AromaticContact CE1-CD2 3.81Å; Y260-Y332 HydrophobicContact CE1-CD2 3.81Å; Y260-Y332 HydrophobicContact CE1-CE2 4.23Å; Y260-Y332 HydrophobicContact CE1-CG 4.33Å
261	S	97.8	Very high	96.9	Very high	48 Å²	48	31.6 Å²	31.6	34%	0.336	16%	0.164	S	C	.	.			trans	-88.2	129.2	168	172.8	0	0	0	0	109.2	D263 M264 F266	S261-D263 PolarHBondContact O-N 2.83Å; S261-D263 VanDerWaalsContact O-N 3.09Å; S261-D263 PolarHBondContact OG-N 3.22Å; S261-M264 PolarHBondContact O-N 2.9Å; S261-F266 WeakPolarHBondContact O-CE1 3.26Å
262	P	98.3	Very high	96.9	Very high	22 Å²	22	32 Å²	32	14%	0.143	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.1	175.8	26.7	-36.1	0	0	0	113.8	D237 Y238 R291 E292	D237-P262 HydrophobicContact CB-CB 3.78Å; D237-P262 HydrophobicContact CB-CG 4.07Å; D237-P262 WeakPolarHBondContact O-CB 3.46Å; Y238-P262 HydrophobicContact CE1-CB 4.23Å; P262-R291 HydrophobicContact CB-CB 4.32Å; P262-R291 VanDerWaalsContact CG-NH2 3.28Å; P262-R291 PolarHBondContact O-N 2.94Å; P262-E292 PolarHBondContact O-N 3.23Å
263	D	98.4	Very high	96.8	Very high	94 Å²	94	36.9 Å²	36.9	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.4	178.9	-54.5	-44.2	0	0	0	113	S261 R291 E292	S261-D263 PolarHBondContact O-N 2.83Å; S261-D263 VanDerWaalsContact O-N 3.09Å; S261-D263 PolarHBondContact OG-N 3.22Å; D263-R291 IonicContact OD1-CZ 2.76Å; D263-R291 IonicContact OD1-NE 3.47Å; D263-R291 PolarHBondContact OD1-NE 3.31Å; D263-R291 VanDerWaalsContact OD1-NE 3.13Å; D263-R291 IonicContact OD1-NH2 3.13Å; D263-R291 PolarHBondContact OD1-NH2 3.46Å; D263-R291 IonicContact OD2-NH2 3.38Å; D263-E292 WeakPolarHBondContact O-CB 3.41Å; D263-E292 WeakPolarHBondContact O-CG 3.22Å
264	M	98.3	Very high	96.4	Very high	83 Å²	83	42.6 Å²	42.6	41%	0.409	22%	0.219	S	C	.	.	S	Bend	trans	-85.5	136.8	168.8	-71.8	-167.4	-68.8	0	0	110.5	S261 F266 S290	S261-M264 PolarHBondContact O-N 2.9Å; M264-F266 HydrophobicContact CB-CD1 3.96Å; M264-F266 HydrophobicContact CB-CE1 4.43Å; M264-F266 VanDerWaalsContact O-CD1 3.25Å; M264-F266 WeakPolarHBondContact O-CD1 3.36Å; M264-F266 PolarHBondContact O-N 3.21Å; M264-S290 WeakPolarHBondContact O-CB 3.05Å; M264-S290 PolarHBondContact O-OG 3.19Å
265	P	98.5	Very high	96.1	Very high	28 Å²	28	46.6 Å²	46.6	18%	0.182	24%	0.24	C	C	.	.			trans	-78.2	92	-180	31.5	-35.1	0	0	0	110.9	E292 V329 R330	P265-E292 HydrophobicContact CB-CG 3.9Å; P265-E292 HydrophobicContact CG-CG 4.45Å; P265-V329 HydrophobicContact CB-CG2 4.31Å; P265-V329 WeakPolarHBondContact O-CA 3.39Å; P265-R330 PolarHBondContact O-N 2.93Å
266	F	98.6	Very high	96	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.2	178.2	75.3	-89.7	0	0	0	114.4	Y238 Y260 S261 M264 L268 S290 A293 R330 Y332	Y238-F266 HydrophobicContact CD1-CZ 4.31Å; Y238-F266 HydrophobicContact CE1-CE1 4.17Å; Y238-F266 AromaticContact CE1-CZ 3.58Å; Y238-F266 HydrophobicContact CE1-CZ 3.58Å; Y260-F266 HydrophobicContact CD1-CD1 4.23Å; Y260-F266 HydrophobicContact CD1-CD2 4.21Å; Y260-F266 AromaticContact CD1-CE1 3.89Å; Y260-F266 HydrophobicContact CD1-CE1 3.89Å; Y260-F266 AromaticContact CD1-CE2 3.86Å; Y260-F266 HydrophobicContact CD1-CE2 3.86Å; Y260-F266 HydrophobicContact CD1-CG 4.39Å; Y260-F266 AromaticContact CD1-CZ 3.68Å; Y260-F266 HydrophobicContact CD1-CZ 3.68Å; Y260-F266 HydrophobicContact CE1-CE2 4.47Å; Y260-F266 HydrophobicContact CG-CE1 4.07Å; Y260-F266 HydrophobicContact CG-CE2 4Å; Y260-F266 AromaticContact CG-CZ 3.59Å; Y260-F266 HydrophobicContact CG-CZ 3.59Å; S261-F266 WeakPolarHBondContact O-CE1 3.26Å; M264-F266 HydrophobicContact CB-CD1 3.96Å; M264-F266 HydrophobicContact CB-CE1 4.43Å; M264-F266 VanDerWaalsContact O-CD1 3.25Å; M264-F266 WeakPolarHBondContact O-CD1 3.36Å; M264-F266 PolarHBondContact O-N 3.21Å; F266-L268 HydrophobicContact CD2-CD2 3.72Å; F266-L268 HydrophobicContact CD2-CG 3.87Å; F266-L268 HydrophobicContact CE2-CD1 3.92Å; F266-L268 HydrophobicContact CE2-CD2 3.81Å; F266-L268 HydrophobicContact CE2-CG 3.61Å; F266-S290 PolarHBondContact N-OG 2.83Å; F266-S290 PolarHBondContact O-N 3.19Å; F266-S290 PolarHBondContact O-OG 3.37Å; F266-A293 VanDerWaalsContact O-CB 3.25Å; F266-A293 WeakPolarHBondContact O-CB 3.43Å; F266-R330 CarbonylContact C-O 3.44Å; F266-R330 WeakPolarHBondContact CA-O 3.22Å; F266-R330 WeakPolarHBondContact CB-O 3.1Å; F266-Y332 HydrophobicContact CB-CD2 3.6Å; F266-Y332 HydrophobicContact CB-CE2 3.51Å; F266-Y332 HydrophobicContact CD2-CD2 4.08Å; F266-Y332 AromaticContact CG-CD2 3.97Å; F266-Y332 HydrophobicContact CG-CD2 3.97Å; F266-Y332 HydrophobicContact CG-CE2 4.06Å
267	M	98.6	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.2	169.1	-70.5	169.8	64.2	0	0	110.9	F281 Y287 V288 L289 I297 V329 R330 L331 Y332	M267-F281 HydrophobicContact CB-CD2 3.8Å; M267-F281 HydrophobicContact CB-CE2 3.46Å; M267-F281 VanDerWaalsContact CB-CE2 3.46Å; M267-F281 HydrophobicContact CE-CD2 4.15Å; M267-F281 VanDerWaalsContact O-CE2 3.22Å; M267-F281 WeakPolarHBondContact O-CE2 3.41Å; M267-F281 WeakPolarHBondContact O-CZ 3.37Å; M267-Y287 HydrophobicContact CE-CD2 3.9Å; M267-Y287 HydrophobicContact CE-CE2 4.23Å; M267-Y287 HydrophobicContact CE-CG 4.35Å; M267-V288 CarbonylContact C-O 3.59Å; M267-V288 WeakPolarHBondContact CA-O 3.45Å; M267-V288 WeakPolarHBondContact CB-O 3.22Å; M267-L289 HydrophobicContact CE-CD2 3.71Å; M267-L289 HydrophobicContact CG-CD2 3.35Å; M267-L289 HydrophobicContact SD-CD2 3.47Å; M267-L289 WeakPolarHBondContact SD-CD2 3.25Å; M267-I297 HydrophobicContact SD-CD1 4.25Å; M267-V329 HydrophobicContact CB-CG1 4.35Å; M267-V329 HydrophobicContact CG-CG1 3.67Å; M267-V329 HydrophobicContact SD-CG1 3.94Å; M267-R330 PolarHBondContact N-O 2.83Å; M267-L331 HydrophobicContact CB-CD2 3.92Å; M267-L331 HydrophobicContact SD-CD2 4.15Å; M267-Y332 PolarHBondContact O-N 2.84Å
268	L	98.4	Very high	95.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.1	171.6	-51.2	-180	0	0	0	110.3	V256 L257 Y260 F266 Y287 V288 Y332 T334 F343	V256-L268 HydrophobicContact CG1-CD1 3.94Å; L257-L268 HydrophobicContact CD2-CD1 3.63Å; Y260-L268 HydrophobicContact CE1-CD2 4.28Å; Y260-L268 HydrophobicContact CE2-CD1 4.37Å; F266-L268 HydrophobicContact CD2-CD2 3.72Å; F266-L268 HydrophobicContact CD2-CG 3.87Å; F266-L268 HydrophobicContact CE2-CD1 3.92Å; F266-L268 HydrophobicContact CE2-CD2 3.81Å; F266-L268 HydrophobicContact CE2-CG 3.61Å; L268-Y287 CarbonylContact O-C 3.52Å; L268-Y287 WeakPolarHBondContact O-CA 3.46Å; L268-Y287 VanDerWaalsContact O-CB 3.22Å; L268-Y287 WeakPolarHBondContact O-CB 3.48Å; L268-V288 HydrophobicContact CB-CB 4.34Å; L268-V288 PolarHBondContact N-O 3.24Å; L268-V288 PolarHBondContact O-N 3.24Å; L268-Y332 HydrophobicContact CD2-CD2 4.36Å; L268-Y332 HydrophobicContact CD2-CG 4.49Å; L268-T334 HydrophobicContact CB-CG2 4.12Å; L268-T334 HydrophobicContact CD1-CG2 4.09Å; L268-T334 HydrophobicContact CD2-CG2 4.11Å; L268-T334 HydrophobicContact CG-CG2 4.33Å; L268-F343 HydrophobicContact CB-CE2 4.02Å; L268-F343 HydrophobicContact CB-CZ 4.34Å
269	G	97.8	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-164.3	175.4	0	0	0	0	0	112.6	F281	G269-F281 VanDerWaalsContact CA-CD1 3.43Å; G269-F281 WeakPolarHBondContact O-CE1 3.35Å
270	H	96.3	Very high	95.7	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.06	26%	0.261	C	S	.	.			trans	-89.8	108.9	170	-172.6	89	0	0	0	110.1	F272 F281 S282 A285 Y341 F343 W345	H270-F272 AromaticContact CD2-CD1 3.97Å; H270-F272 AromaticContact CD2-CE1 3.59Å; H270-F272 AromaticContact CD2-CZ 3.78Å; H270-F272 AromaticContact NE2-CE1 3.59Å; H270-F281 CarbonylContact O-C 3.53Å; H270-F281 VanDerWaalsContact O-CA 3.32Å; H270-F281 WeakPolarHBondContact O-CA 3.41Å; H270-S282 PolarHBondContact O-N 3.49Å; H270-A285 HydrophobicContact CB-CB 3.72Å; H270-Y341 AromaticContact CE1-CD1 3.85Å; H270-Y341 AromaticContact CE1-CD2 3.9Å; H270-Y341 AromaticContact CE1-CG 3.77Å; H270-Y341 AromaticContact ND1-CD1 3.76Å; H270-Y341 AromaticContact ND1-CG 3.85Å; H270-F343 HydrophobicContact CB-CB 3.9Å; H270-F343 WeakPolarHBondContact CB-O 3.26Å; H270-F343 PolarHBondContact ND1-O 3.29Å; H270-W345 AromaticContact CD2-CD1 3.38Å; H270-W345 AromaticContact CE1-CD1 3.47Å; H270-W345 VanDerWaalsContact CE1-CD1 3.47Å; H270-W345 AromaticContact CE1-NE1 3.9Å; H270-W345 AromaticContact CG-CD1 3.74Å; H270-W345 AromaticContact ND1-CD1 3.76Å; H270-W345 AromaticContact NE2-CD1 3.19Å; H270-W345 AromaticContact NE2-NE1 3.55Å
271	R	95.7	Very high	95.8	Very high	37 Å²	37	50.9 Å²	50.9	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.6	-175	-167.5	-172.5	-45.6	-152.6	5.1	112.4	M273 N278 Y280 F281 L331 D333	R271-M273 VanDerWaalsContact CD-SD 3.51Å; R271-M273 HydrophobicContact CG-SD 4.08Å; R271-N278 PolarHBondContact NH1-O 3.49Å; R271-Y280 CarbonylContact C-O 3.59Å; R271-Y280 WeakPolarHBondContact CA-O 3.43Å; R271-F281 HydrophobicContact CB-CD1 3.91Å; R271-F281 HydrophobicContact CB-CE1 3.8Å; R271-F281 HydrophobicContact CG-CE1 4.44Å; R271-L331 PolarHBondContact NH2-O 2.91Å; R271-D333 WeakPolarHBondContact CB-OD1 3.45Å; R271-D333 IonicContact CZ-OD1 3.56Å; R271-D333 VanDerWaalsContact CZ-OD1 3.31Å; R271-D333 IonicContact CZ-OD2 3.6Å; R271-D333 IonicContact NE-OD1 3.78Å; R271-D333 PolarHBondContact NE-OD1 3.25Å; R271-D333 IonicContact NE-OD2 3.87Å; R271-D333 PolarHBondContact NE-OD2 3.26Å; R271-D333 VanDerWaalsContact NH2-CG 3.31Å; R271-D333 IonicContact NH2-OD1 2.72Å; R271-D333 PolarHBondContact NH2-OD1 3.2Å; R271-D333 IonicContact NH2-OD2 2.79Å; R271-D333 PolarHBondContact NH2-OD2 2.92Å
272	F	94.7	Very high	95.8	Very high	49 Å²	49	49 Å²	49	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.7	163.8	-65.7	-54.5	0	0	0	110.8	H270 N274 G279 Y280 W345	H270-F272 AromaticContact CD2-CD1 3.97Å; H270-F272 AromaticContact CD2-CE1 3.59Å; H270-F272 AromaticContact CD2-CZ 3.78Å; H270-F272 AromaticContact NE2-CE1 3.59Å; F272-N274 WeakPolarHBondContact CB-OD1 3.32Å; F272-G279 CarbonylContact O-C 3.41Å; F272-G279 WeakPolarHBondContact O-CA 3.43Å; F272-Y280 HydrophobicContact CB-CD1 4.03Å; F272-Y280 HydrophobicContact CB-CE1 3.48Å; F272-Y280 VanDerWaalsContact CB-CE1 3.48Å; F272-Y280 HydrophobicContact CB-CE2 4.35Å; F272-Y280 HydrophobicContact CD2-CE1 4.42Å; F272-Y280 AromaticContact CD2-CE2 3.87Å; F272-Y280 HydrophobicContact CD2-CE2 3.87Å; F272-Y280 AromaticContact CD2-CZ 3.71Å; F272-Y280 HydrophobicContact CG-CE1 4.42Å; F272-Y280 PolarHBondContact N-O 3.04Å; F272-Y280 PolarHBondContact O-N 2.84Å; F272-W345 AromaticContact CE1-CD1 3.94Å; F272-W345 HydrophobicContact CE1-CD2 4.27Å; F272-W345 HydrophobicContact CE1-CG 4.18Å; F272-W345 AromaticContact CE1-NE1 3.84Å; F272-W345 HydrophobicContact CE2-CB 4.45Å; F272-W345 HydrophobicContact CE2-CG 4.43Å; F272-W345 HydrophobicContact CZ-CB 3.97Å; F272-W345 AromaticContact CZ-CD1 3.71Å; F272-W345 AromaticContact CZ-CD2 3.65Å; F272-W345 HydrophobicContact CZ-CD2 3.65Å; F272-W345 AromaticContact CZ-CE2 3.93Å; F272-W345 HydrophobicContact CZ-CE3 4.24Å; F272-W345 AromaticContact CZ-CG 3.51Å; F272-W345 HydrophobicContact CZ-CG 3.51Å; F272-W345 AromaticContact CZ-NE1 3.92Å
273	M	93.1	Very high	95.7	Very high	131 Å²	131	48.2 Å²	48.2	65%	0.645	23%	0.232	S	C	*	.			trans	-107.9	5	-174.1	-65.1	-64.2	-123.7	0	0	114.1	R271	R271-M273 VanDerWaalsContact CD-SD 3.51Å; R271-M273 HydrophobicContact CG-SD 4.08Å
274	N	90.4	Very high	95.6	Very high	120 Å²	120	44.1 Å²	44.1	64%	0.642	21%	0.212	S	C	*	.	S	Bend	trans	-91.5	-16.3	-166.5	60.9	-40.9	0	0	0	115.6	F272 Y280	F272-N274 WeakPolarHBondContact CB-OD1 3.32Å; N274-Y280 WeakPolarHBondContact OD1-CE1 3.35Å
275	I	91.2	Very high	95.5	Very high	83 Å²	83	40.1 Å²	40.1	43%	0.426	19%	0.192	S	C	.	.	S	Bend	trans	-117.7	-45.5	-174.3	-57.3	178.7	0	0	0	112.5	Y280 M315 V318	I275-Y280 HydrophobicContact CB-CD1 4.14Å; I275-Y280 HydrophobicContact CB-CE1 3.77Å; I275-Y280 HydrophobicContact CD1-CE1 3.87Å; I275-Y280 HydrophobicContact CG1-CE1 3.85Å; I275-M315 HydrophobicContact CD1-SD 4.3Å; I275-V318 HydrophobicContact CB-CG2 4.4Å; I275-V318 HydrophobicContact CD1-CG2 4.02Å; I275-V318 HydrophobicContact CG2-CG1 3.76Å; I275-V318 HydrophobicContact CG2-CG2 4.12Å
276	A	91.2	Very high	95.5	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	18%	0.184	C	C	.	.	S	Bend	trans	-105.6	143.9	-178.8	0	0	0	0	0	111	N278 G279 I322	A276-N278 VanDerWaalsContact C-N 3.34Å; A276-N278 PolarHBondContact O-N 3.17Å; A276-G279 WeakPolarHBondContact CB-O 3.22Å; A276-G279 WeakPolarHBondContact O-CA 3.12Å; A276-G279 PolarHBondContact O-N 3.48Å; A276-I322 HydrophobicContact CB-CD1 4.43Å; A276-I322 HydrophobicContact CB-CG1 4.07Å
277	R	88.8	Confident	95.5	Very high	244 Å²	244	38.8 Å²	38.8	92%	0.921	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-42.1	-171.8	-176.7	178.4	175.8	178.8	-0.1	114.6
278	N	93	Very high	95.5	Very high	86 Å²	86	38.8 Å²	38.8	46%	0.46	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	23.8	174.7	-39	-59	0	0	0	112.5	R271 A276 Q325	R271-N278 PolarHBondContact NH1-O 3.49Å; A276-N278 VanDerWaalsContact C-N 3.34Å; A276-N278 PolarHBondContact O-N 3.17Å; N278-Q325 PolarHBondContact ND2-OE1 2.96Å
279	G	96.4	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.			trans	78.3	177.3	-176.3	0	0	0	0	0	114.7	F272 A276 Q325 L331	F272-G279 CarbonylContact O-C 3.41Å; F272-G279 WeakPolarHBondContact O-CA 3.43Å; A276-G279 WeakPolarHBondContact CB-O 3.22Å; A276-G279 WeakPolarHBondContact O-CA 3.12Å; A276-G279 PolarHBondContact O-N 3.48Å; G279-Q325 PolarHBondContact O-NE2 2.87Å; G279-L331 WeakPolarHBondContact O-CD1 3.43Å
280	Y	97.6	Very high	95.6	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.078	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.3	175.1	70	-79.1	0	0	0	109.4	R271 F272 N274 I275 D317 V318 S321	R271-Y280 CarbonylContact C-O 3.59Å; R271-Y280 WeakPolarHBondContact CA-O 3.43Å; F272-Y280 HydrophobicContact CB-CD1 4.03Å; F272-Y280 HydrophobicContact CB-CE1 3.48Å; F272-Y280 VanDerWaalsContact CB-CE1 3.48Å; F272-Y280 HydrophobicContact CB-CE2 4.35Å; F272-Y280 HydrophobicContact CD2-CE1 4.42Å; F272-Y280 AromaticContact CD2-CE2 3.87Å; F272-Y280 HydrophobicContact CD2-CE2 3.87Å; F272-Y280 AromaticContact CD2-CZ 3.71Å; F272-Y280 HydrophobicContact CG-CE1 4.42Å; F272-Y280 PolarHBondContact N-O 3.04Å; F272-Y280 PolarHBondContact O-N 2.84Å; N274-Y280 WeakPolarHBondContact OD1-CE1 3.35Å; I275-Y280 HydrophobicContact CB-CD1 4.14Å; I275-Y280 HydrophobicContact CB-CE1 3.77Å; I275-Y280 HydrophobicContact CD1-CE1 3.87Å; I275-Y280 HydrophobicContact CG1-CE1 3.85Å; Y280-D317 HydrophobicContact CD2-CB 4.47Å; Y280-V318 HydrophobicContact CD1-CG2 4.1Å; Y280-V318 HydrophobicContact CD2-CB 4.39Å; Y280-V318 HydrophobicContact CD2-CG2 3.59Å; Y280-V318 HydrophobicContact CE1-CG2 4.14Å; Y280-V318 HydrophobicContact CE2-CG2 3.63Å; Y280-V318 HydrophobicContact CG-CB 4.45Å; Y280-V318 HydrophobicContact CG-CG2 3.83Å; Y280-S321 WeakPolarHBondContact CA-OG 3.32Å; Y280-S321 WeakPolarHBondContact CB-OG 3.45Å
281	F	98.1	Very high	95.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.4	174.8	-69.1	-49.7	0	0	0	111.3	M267 G269 H270 R271 G283 Y287 D317 S321 L331 Y332	M267-F281 HydrophobicContact CB-CD2 3.8Å; M267-F281 HydrophobicContact CB-CE2 3.46Å; M267-F281 VanDerWaalsContact CB-CE2 3.46Å; M267-F281 HydrophobicContact CE-CD2 4.15Å; M267-F281 VanDerWaalsContact O-CE2 3.22Å; M267-F281 WeakPolarHBondContact O-CE2 3.41Å; M267-F281 WeakPolarHBondContact O-CZ 3.37Å; G269-F281 VanDerWaalsContact CA-CD1 3.43Å; G269-F281 WeakPolarHBondContact O-CE1 3.35Å; H270-F281 CarbonylContact O-C 3.53Å; H270-F281 VanDerWaalsContact O-CA 3.32Å; H270-F281 WeakPolarHBondContact O-CA 3.41Å; R271-F281 HydrophobicContact CB-CD1 3.91Å; R271-F281 HydrophobicContact CB-CE1 3.8Å; R271-F281 HydrophobicContact CG-CE1 4.44Å; F281-G283 PolarHBondContact O-N 3.48Å; F281-Y287 HydrophobicContact CB-CD1 4.28Å; F281-Y287 HydrophobicContact CB-CG 4.34Å; F281-D317 VanDerWaalsContact O-CB 3.32Å; F281-D317 WeakPolarHBondContact O-CB 3.49Å; F281-S321 PolarHBondContact N-OG 2.84Å; F281-S321 VanDerWaalsContact N-OG 3.1Å; F281-L331 HydrophobicContact CD2-CD2 3.97Å; F281-L331 HydrophobicContact CE1-CB 4.46Å; F281-L331 HydrophobicContact CE2-CB 3.73Å; F281-L331 HydrophobicContact CE2-CD2 3.58Å; F281-L331 HydrophobicContact CE2-CG 4.11Å; F281-L331 HydrophobicContact CZ-CB 3.62Å; F281-L331 HydrophobicContact CZ-CD2 4.37Å; F281-L331 HydrophobicContact CZ-CG 4.43Å; F281-Y332 VanDerWaalsContact CZ-O 3.26Å; F281-Y332 WeakPolarHBondContact CZ-O 3.09Å
282	S	97.4	Very high	95.9	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.07	19%	0.189	C	C	.	.			trans	-58.7	126.3	174.9	176.5	0	0	0	0	111.5	H270 G284 A285 G286	H270-S282 PolarHBondContact O-N 3.49Å; S282-G284 VanDerWaalsContact C-N 3.31Å; S282-G284 PolarHBondContact O-N 2.73Å; S282-G284 PolarHBondContact OG-N 2.85Å; S282-A285 PolarHBondContact OG-N 3.42Å; S282-G286 PolarHBondContact O-N 2.93Å
283	G	96.7	Very high	96	Very high	4 Å²	4	37.4 Å²	37.4	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-38.9	174.5	0	0	0	0	0	112.7	K241 F281 G286 D317	K241-G283 VanDerWaalsContact NZ-C 3.33Å; K241-G283 PolarHBondContact NZ-O 3.2Å; F281-G283 PolarHBondContact O-N 3.48Å; G283-G286 PolarHBondContact O-N 2.93Å; G283-D317 VanDerWaalsContact N-CB 3.3Å; G283-D317 PolarHBondContact N-OD2 3.05Å
284	G	96.4	Very high	96.3	Very high	8 Å²	8	31.2 Å²	31.2	8%	0.082	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-40.2	-178.6	0	0	0	0	0	113.6	T246 S282 G286 H389	T246-G284 WeakPolarHBondContact CG2-O 3.5Å; T246-G284 PolarHBondContact OG1-O 2.84Å; T246-G284 VanDerWaalsContact OG1-O 3.12Å; S282-G284 VanDerWaalsContact C-N 3.31Å; S282-G284 PolarHBondContact O-N 2.73Å; S282-G284 PolarHBondContact OG-N 2.85Å; G284-G286 PolarHBondContact O-N 3.1Å; G284-H389 VanDerWaalsContact CA-CD2 3.46Å; G284-H389 WeakPolarHBondContact CA-CD2 3.06Å; G284-H389 VanDerWaalsContact CA-CE1 3.48Å; G284-H389 WeakPolarHBondContact CA-CE1 3.38Å; G284-H389 WeakPolarHBondContact CA-NE2 3.24Å; G284-H389 WeakPolarHBondContact O-CB 3.3Å; G284-H389 PolarHBondContact O-CD2 3.47Å
285	A	97	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	173.6	0	0	0	0	0	112.7	H270 S282 F343 W345 S387	H270-A285 HydrophobicContact CB-CB 3.72Å; S282-A285 PolarHBondContact OG-N 3.42Å; A285-F343 HydrophobicContact CB-CB 4.33Å; A285-W345 HydrophobicContact CB-CB 4.04Å; A285-S387 WeakPolarHBondContact O-CB 3.2Å; A285-S387 PolarHBondContact O-OG 2.7Å
286	G	98.3	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.			trans	78.4	154.1	-168	0	0	0	0	0	111.9	K241 S282 G283 G284	K241-G286 WeakPolarHBondContact O-CA 3.46Å; S282-G286 PolarHBondContact O-N 2.93Å; G283-G286 PolarHBondContact O-N 2.93Å; G284-G286 PolarHBondContact O-N 3.1Å
287	Y	98.6	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.3	175.9	56.9	-105.2	0	0	0	110.9	K241 M267 L268 F281 E316 D317 M320	K241-Y287 HydrophobicContact CB-CD1 4.47Å; K241-Y287 HydrophobicContact CB-CD2 3.85Å; K241-Y287 HydrophobicContact CB-CE1 4.15Å; K241-Y287 HydrophobicContact CB-CE2 3.45Å; K241-Y287 VanDerWaalsContact CB-CE2 3.45Å; K241-Y287 HydrophobicContact CB-CG 4.32Å; K241-Y287 HydrophobicContact CD-CD1 4.25Å; K241-Y287 HydrophobicContact CD-CE1 3.64Å; K241-Y287 HydrophobicContact CD-CE2 4.48Å; K241-Y287 HydrophobicContact CG-CE1 4.02Å; K241-Y287 HydrophobicContact CG-CE2 3.96Å; K241-Y287 WeakPolarHBondContact CG-OH 3.3Å; K241-Y287 PolarHBondContact N-O 3.04Å; K241-Y287 PolarHBondContact O-N 3.06Å; M267-Y287 HydrophobicContact CE-CD2 3.9Å; M267-Y287 HydrophobicContact CE-CE2 4.23Å; M267-Y287 HydrophobicContact CE-CG 4.35Å; L268-Y287 CarbonylContact O-C 3.52Å; L268-Y287 WeakPolarHBondContact O-CA 3.46Å; L268-Y287 VanDerWaalsContact O-CB 3.22Å; L268-Y287 WeakPolarHBondContact O-CB 3.48Å; F281-Y287 HydrophobicContact CB-CD1 4.28Å; F281-Y287 HydrophobicContact CB-CG 4.34Å; Y287-E316 PolarHBondContact OH-OE1 2.92Å; Y287-D317 HydrophobicContact CE1-CB 4.45Å; Y287-M320 HydrophobicContact CE2-CE 4.22Å; Y287-M320 WeakPolarHBondContact OH-CG 3.33Å
288	V	98.8	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.2	-179.3	-178.2	0	0	0	0	109.5	Y238 F239 L240 L253 L257 M267 L268 F343	Y238-V288 HydrophobicContact CD1-CG1 4.17Å; Y238-V288 HydrophobicContact CG-CG1 4.38Å; F239-V288 CarbonylContact O-C 3.55Å; F239-V288 WeakPolarHBondContact O-CA 2.99Å; L240-V288 HydrophobicContact CB-CG2 4.37Å; L240-V288 HydrophobicContact CD1-CG2 3.61Å; L253-V288 HydrophobicContact CD1-CG2 3.89Å; L253-V288 HydrophobicContact CD2-CG2 4.15Å; L257-V288 HydrophobicContact CD1-CG1 4.43Å; L257-V288 HydrophobicContact CD2-CG1 4.06Å; M267-V288 CarbonylContact C-O 3.59Å; M267-V288 WeakPolarHBondContact CA-O 3.45Å; M267-V288 WeakPolarHBondContact CB-O 3.22Å; L268-V288 HydrophobicContact CB-CB 4.34Å; L268-V288 PolarHBondContact N-O 3.24Å; L268-V288 PolarHBondContact O-N 3.24Å; V288-F343 HydrophobicContact CG2-CZ 4.25Å
289	L	98.8	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.7	164.3	-52.5	169.7	0	0	0	108.3	Y165 L226 Y238 F239 M267 A293 L294 I297 M320	Y165-L289 WeakPolarHBondContact OH-CD1 3.47Å; L226-L289 HydrophobicContact CD2-CD1 4.16Å; Y238-L289 WeakPolarHBondContact CA-O 3.01Å; F239-L289 HydrophobicContact CB-CB 4.28Å; F239-L289 PolarHBondContact N-O 3.18Å; F239-L289 PolarHBondContact O-N 3.16Å; M267-L289 HydrophobicContact CE-CD2 3.71Å; M267-L289 HydrophobicContact CG-CD2 3.35Å; M267-L289 HydrophobicContact SD-CD2 3.47Å; M267-L289 WeakPolarHBondContact SD-CD2 3.25Å; L289-A293 HydrophobicContact CB-CB 4.4Å; L289-L294 HydrophobicContact CD1-CB 4.39Å; L289-L294 HydrophobicContact CD1-CD1 4.16Å; L289-I297 HydrophobicContact CD2-CD1 3.89Å; L289-M320 HydrophobicContact CD1-CE 4.34Å; L289-M320 HydrophobicContact CD2-CE 4.26Å
290	S	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	159.4	159.1	71.3	0	0	0	0	110.8	M264 F266 E292 A293 L294	M264-S290 WeakPolarHBondContact O-CB 3.05Å; M264-S290 PolarHBondContact O-OG 3.19Å; F266-S290 PolarHBondContact N-OG 2.83Å; F266-S290 PolarHBondContact O-N 3.19Å; F266-S290 PolarHBondContact O-OG 3.37Å; S290-E292 VanDerWaalsContact C-N 3.25Å; S290-E292 PolarHBondContact O-N 2.99Å; S290-A293 PolarHBondContact O-N 3.28Å; S290-A293 VanDerWaalsContact O-N 3.14Å; S290-A293 VanDerWaalsContact OG-CB 3.31Å; S290-A293 WeakPolarHBondContact OG-CB 3.41Å; S290-A293 PolarHBondContact OG-N 2.99Å; S290-L294 PolarHBondContact O-N 2.86Å
291	R	98.8	Very high	98.2	Very high	28 Å²	28	18.5 Å²	18.5	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-51.7	-46.3	171.8	166.5	171.6	61.2	-127.5	5.5	111.9	R233 Y236 D237 F239 P262 D263 L294 K295	R233-R291 WeakPolarHBondContact O-CD 3.35Å; R233-R291 WeakPolarHBondContact O-CG 3.19Å; Y236-R291 PolarHBondContact O-NH1 2.83Å; Y236-R291 VanDerWaalsContact O-NH1 3.11Å; D237-R291 PolarHBondContact O-N 3.38Å; D237-R291 IonicContact OD1-CZ 3.48Å; D237-R291 IonicContact OD1-NH1 2.87Å; D237-R291 PolarHBondContact OD1-NH1 3.29Å; F239-R291 HydrophobicContact CE2-CB 4.4Å; P262-R291 HydrophobicContact CB-CB 4.32Å; P262-R291 VanDerWaalsContact CG-NH2 3.28Å; P262-R291 PolarHBondContact O-N 2.94Å; D263-R291 IonicContact OD1-CZ 2.76Å; D263-R291 IonicContact OD1-NE 3.47Å; D263-R291 PolarHBondContact OD1-NE 3.31Å; D263-R291 VanDerWaalsContact OD1-NE 3.13Å; D263-R291 IonicContact OD1-NH2 3.13Å; D263-R291 PolarHBondContact OD1-NH2 3.46Å; D263-R291 IonicContact OD2-NH2 3.38Å; R291-L294 PolarHBondContact O-N 2.88Å; R291-K295 HydrophobicContact CG-CD 4.45Å; R291-K295 WeakPolarHBondContact O-CG 3.23Å; R291-K295 PolarHBondContact O-N 3.44Å; R291-K295 VanDerWaalsContact O-N 3.07Å
292	E	98.8	Very high	98.2	Very high	43 Å²	43	18.6 Å²	18.6	20%	0.201	9%	0.087	C	C	.	.	H	α-helix	trans	-66	-38.6	178.5	179.7	64.2	-173.2	0	0	112.3	P262 D263 P265 S290 L294 K295 R296	P262-E292 PolarHBondContact O-N 3.23Å; D263-E292 WeakPolarHBondContact O-CB 3.41Å; D263-E292 WeakPolarHBondContact O-CG 3.22Å; P265-E292 HydrophobicContact CB-CG 3.9Å; P265-E292 HydrophobicContact CG-CG 4.45Å; S290-E292 VanDerWaalsContact C-N 3.25Å; S290-E292 PolarHBondContact O-N 2.99Å; E292-L294 PolarHBondContact O-N 2.94Å; E292-K295 PolarHBondContact O-N 2.85Å; E292-R296 WeakPolarHBondContact O-CG 3.46Å; E292-R296 PolarHBondContact O-N 3.49Å; E292-R296 IonicContact OE1-CZ 3.68Å; E292-R296 IonicContact OE1-NE 3.31Å; E292-R296 PolarHBondContact OE1-NE 3.1Å; E292-R296 IonicContact OE1-NH2 3.76Å; E292-R296 PolarHBondContact OE1-NH2 3.38Å
293	A	98.8	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-45.4	175.6	0	0	0	0	0	111.8	F266 L289 S290 K295 R296 I297 V329	F266-A293 VanDerWaalsContact O-CB 3.25Å; F266-A293 WeakPolarHBondContact O-CB 3.43Å; L289-A293 HydrophobicContact CB-CB 4.4Å; S290-A293 PolarHBondContact O-N 3.28Å; S290-A293 VanDerWaalsContact O-N 3.14Å; S290-A293 VanDerWaalsContact OG-CB 3.31Å; S290-A293 WeakPolarHBondContact OG-CB 3.41Å; S290-A293 PolarHBondContact OG-N 2.99Å; A293-K295 VanDerWaalsContact C-N 3.33Å; A293-K295 PolarHBondContact O-N 2.87Å; A293-R296 PolarHBondContact O-N 2.79Å; A293-I297 WeakPolarHBondContact O-CB 3.17Å; A293-I297 WeakPolarHBondContact O-CD1 3.08Å; A293-I297 WeakPolarHBondContact O-CG1 3.44Å; A293-I297 PolarHBondContact O-N 3.19Å; A293-V329 HydrophobicContact CB-CB 4.48Å; A293-V329 HydrophobicContact CB-CG1 3.71Å; A293-V329 HydrophobicContact CB-CG2 3.86Å
294	L	98.8	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-45.5	176	175.6	61.6	0	0	0	111.4	L226 I229 R233 F239 L289 S290 R291 E292 I297 V298	L226-L294 HydrophobicContact CD2-CD1 3.92Å; I229-L294 HydrophobicContact CD1-CD1 3.93Å; I229-L294 HydrophobicContact CD1-CD2 4.31Å; I229-L294 HydrophobicContact CG1-CD1 3.92Å; I229-L294 HydrophobicContact CG1-CD2 4.11Å; R233-L294 HydrophobicContact CB-CD2 4.4Å; F239-L294 HydrophobicContact CD1-CD2 3.74Å; F239-L294 HydrophobicContact CD2-CB 4.31Å; F239-L294 HydrophobicContact CD2-CD2 3.66Å; F239-L294 HydrophobicContact CE1-CD2 3.69Å; F239-L294 HydrophobicContact CE2-CD2 3.64Å; F239-L294 HydrophobicContact CG-CD2 3.76Å; F239-L294 HydrophobicContact CZ-CD2 3.67Å; L289-L294 HydrophobicContact CD1-CB 4.39Å; L289-L294 HydrophobicContact CD1-CD1 4.16Å; S290-L294 PolarHBondContact O-N 2.86Å; R291-L294 PolarHBondContact O-N 2.88Å; E292-L294 PolarHBondContact O-N 2.94Å; L294-I297 PolarHBondContact O-N 3.08Å; L294-V298 HydrophobicContact CD1-CG2 3.92Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.08Å; L294-V298 VanDerWaalsContact O-N 3.08Å
295	K	98.8	Very high	98	Very high	45 Å²	45	29.2 Å²	29.2	20%	0.196	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-55.3	177.4	-77.7	178.5	175.8	-177.8	0	111.2	Y230 R233 N234 R291 E292 A293 I297 V298 E299	Y230-K295 HydrophobicContact CE2-CG 4.29Å; R233-K295 HydrophobicContact CB-CG 4.38Å; R233-K295 HydrophobicContact CG-CG 4.49Å; N234-K295 WeakPolarHBondContact OD1-CE 3.19Å; N234-K295 PolarHBondContact OD1-NZ 3.06Å; N234-K295 VanDerWaalsContact OD1-NZ 3.13Å; R291-K295 HydrophobicContact CG-CD 4.45Å; R291-K295 WeakPolarHBondContact O-CG 3.23Å; R291-K295 PolarHBondContact O-N 3.44Å; R291-K295 VanDerWaalsContact O-N 3.07Å; E292-K295 PolarHBondContact O-N 2.85Å; A293-K295 VanDerWaalsContact C-N 3.33Å; A293-K295 PolarHBondContact O-N 2.87Å; K295-I297 PolarHBondContact O-N 3.2Å; K295-V298 PolarHBondContact O-N 3.21Å; K295-E299 WeakPolarHBondContact O-CB 3.47Å; K295-E299 VanDerWaalsContact O-CG 3.24Å; K295-E299 WeakPolarHBondContact O-CG 3.44Å; K295-E299 PolarHBondContact O-N 2.91Å
296	R	98.7	Very high	98	Very high	70 Å²	70	36.7 Å²	36.7	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-60.7	-43.8	-179.6	-65	-171.8	-173	-157.1	-1.3	112.8	E292 A293 V298 Q300 S301 V327	E292-R296 WeakPolarHBondContact O-CG 3.46Å; E292-R296 PolarHBondContact O-N 3.49Å; E292-R296 IonicContact OE1-CZ 3.68Å; E292-R296 IonicContact OE1-NE 3.31Å; E292-R296 PolarHBondContact OE1-NE 3.1Å; E292-R296 IonicContact OE1-NH2 3.76Å; E292-R296 PolarHBondContact OE1-NH2 3.38Å; A293-R296 PolarHBondContact O-N 2.79Å; R296-V298 VanDerWaalsContact C-N 3.32Å; R296-V298 PolarHBondContact O-N 3.32Å; R296-Q300 WeakPolarHBondContact O-CA 3.3Å; R296-Q300 VanDerWaalsContact O-CB 3.28Å; R296-Q300 WeakPolarHBondContact O-CB 3.38Å; R296-Q300 PolarHBondContact O-N 3.17Å; R296-S301 PolarHBondContact O-N 3.45Å; R296-V327 HydrophobicContact CB-CB 4.22Å; R296-V327 HydrophobicContact CB-CG2 3.69Å; R296-V327 WeakPolarHBondContact CD-O 3.36Å
297	I	98.5	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-58.7	-45.6	180	-72.2	165.9	0	0	0	110.7	L226 M267 L289 A293 L294 K295 S301 I302 M320 V327 V329	L226-I297 HydrophobicContact CD1-CG2 3.76Å; L226-I297 HydrophobicContact CD2-CG2 4.49Å; M267-I297 HydrophobicContact SD-CD1 4.25Å; L289-I297 HydrophobicContact CD2-CD1 3.89Å; A293-I297 WeakPolarHBondContact O-CB 3.17Å; A293-I297 WeakPolarHBondContact O-CD1 3.08Å; A293-I297 WeakPolarHBondContact O-CG1 3.44Å; A293-I297 PolarHBondContact O-N 3.19Å; L294-I297 PolarHBondContact O-N 3.08Å; K295-I297 PolarHBondContact O-N 3.2Å; I297-S301 WeakPolarHBondContact O-CA 2.85Å; I297-S301 WeakPolarHBondContact O-CB 3.3Å; I297-S301 PolarHBondContact O-N 3.16Å; I297-S301 VanDerWaalsContact O-N 3.11Å; I297-I302 HydrophobicContact CG2-CG2 3.93Å; I297-I302 PolarHBondContact O-N 3.47Å; I297-M320 HydrophobicContact CD1-CE 4.46Å; I297-V327 HydrophobicContact CG1-CG2 4.46Å; I297-V329 HydrophobicContact CD1-CG2 4.41Å; I297-V329 HydrophobicContact CG1-CG2 4.26Å
298	V	98.5	Very high	97.7	Very high	15 Å²	15	41.1 Å²	41.1	9%	0.091	19%	0.191	C	C	.	.	I	π-helix	trans	-79.4	-40.3	-177	176	0	0	0	0	112.7	L226 Y230 L294 K295 R296 I302 K304	L226-V298 HydrophobicContact CB-CG2 3.95Å; Y230-V298 HydrophobicContact CD1-CG1 4.04Å; Y230-V298 HydrophobicContact CD2-CB 3.64Å; Y230-V298 HydrophobicContact CD2-CG1 3.71Å; Y230-V298 HydrophobicContact CD2-CG2 4.07Å; Y230-V298 HydrophobicContact CE1-CG1 4.45Å; Y230-V298 HydrophobicContact CE2-CB 4.14Å; Y230-V298 HydrophobicContact CE2-CG1 4.15Å; Y230-V298 HydrophobicContact CG-CB 4.05Å; Y230-V298 HydrophobicContact CG-CG1 3.66Å; Y230-V298 HydrophobicContact CG-CG2 4.29Å; L294-V298 HydrophobicContact CD1-CG2 3.92Å; L294-V298 WeakPolarHBondContact O-CG2 3.3Å; L294-V298 PolarHBondContact O-N 3.08Å; L294-V298 VanDerWaalsContact O-N 3.08Å; K295-V298 PolarHBondContact O-N 3.21Å; R296-V298 VanDerWaalsContact C-N 3.32Å; R296-V298 PolarHBondContact O-N 3.32Å; V298-I302 HydrophobicContact CB-CD1 4.4Å; V298-I302 HydrophobicContact CG1-CD1 4.39Å; V298-I302 HydrophobicContact CG2-CD1 4.08Å; V298-K304 PolarHBondContact O-NZ 3.38Å; V298-K304 VanDerWaalsContact O-NZ 3.14Å
299	E	98.3	Very high	97.4	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	20%	0.199	S	C	.	.	I	π-helix	trans	-79.6	-28.8	-175	-66.8	172.3	-153.9	0	0	112.6	Y230 K295 K304	Y230-E299 HydrophobicContact CE2-CG 3.77Å; Y230-E299 WeakPolarHBondContact CE2-OE1 3.43Å; Y230-E299 WeakPolarHBondContact OH-CG 3.25Å; Y230-E299 PolarHBondContact OH-OE1 2.86Å; K295-E299 WeakPolarHBondContact O-CB 3.47Å; K295-E299 VanDerWaalsContact O-CG 3.24Å; K295-E299 WeakPolarHBondContact O-CG 3.44Å; K295-E299 PolarHBondContact O-N 2.91Å; E299-K304 VanDerWaalsContact C-NZ 3.27Å; E299-K304 WeakPolarHBondContact O-CD 3.49Å; E299-K304 WeakPolarHBondContact O-CE 3.12Å; E299-K304 PolarHBondContact O-NZ 3.5Å
300	Q	98.3	Very high	97.1	Very high	90 Å²	90	46.3 Å²	46.3	42%	0.421	22%	0.223	S	C	.	.	I	π-helix	trans	-126.9	-25.3	-168.6	-55.3	169.5	22.1	0	0	113.5	R296 K304 H305 V327	R296-Q300 WeakPolarHBondContact O-CA 3.3Å; R296-Q300 VanDerWaalsContact O-CB 3.28Å; R296-Q300 WeakPolarHBondContact O-CB 3.38Å; R296-Q300 PolarHBondContact O-N 3.17Å; Q300-K304 WeakPolarHBondContact O-CB 3.25Å; Q300-H305 WeakPolarHBondContact O-CB 3.25Å; Q300-V327 HydrophobicContact CB-CB 4.34Å; Q300-V327 HydrophobicContact CB-CG1 3.71Å
301	S	97.6	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-101.2	-69.4	-170.7	-160.4	0	0	0	0	114.2	R296 I297 D303 K304 H305 C308 C323	R296-S301 PolarHBondContact O-N 3.45Å; I297-S301 WeakPolarHBondContact O-CA 2.85Å; I297-S301 WeakPolarHBondContact O-CB 3.3Å; I297-S301 PolarHBondContact O-N 3.16Å; I297-S301 VanDerWaalsContact O-N 3.11Å; S301-D303 PolarHBondContact O-N 3.42Å; S301-K304 PolarHBondContact O-N 2.03Å; S301-K304 VanDerWaalsContact O-N 3.08Å; S301-H305 PolarHBondContact O-N 3.29Å; S301-C308 WeakPolarHBondContact O-CB 3.35Å; S301-C308 WeakPolarHBondContact OG-CB 2.72Å; S301-C323 WeakPolarHBondContact CB-O 3.35Å; S301-C323 VanDerWaalsContact OG-CA 3.26Å; S301-C323 WeakPolarHBondContact OG-CA 3.49Å; S301-C323 VanDerWaalsContact OG-CB 3.3Å; S301-C323 WeakPolarHBondContact OG-CB 3.03Å; S301-C323 PolarHBondContact OG-O 3.11Å
302	I	96.8	Very high	96.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.5	-174.8	67.2	-178.2	0	0	0	110.2	W219 R223 L226 R227 I297 V298 K304	W219-I302 HydrophobicContact CH2-CG2 4.13Å; R223-I302 HydrophobicContact CG-CG2 4.41Å; L226-I302 HydrophobicContact CB-CD1 4.12Å; L226-I302 HydrophobicContact CD1-CD1 4.23Å; L226-I302 HydrophobicContact CD1-CG2 3.86Å; R227-I302 HydrophobicContact CG-CD1 4.13Å; I297-I302 HydrophobicContact CG2-CG2 3.93Å; I297-I302 PolarHBondContact O-N 3.47Å; V298-I302 HydrophobicContact CB-CD1 4.4Å; V298-I302 HydrophobicContact CG1-CD1 4.39Å; V298-I302 HydrophobicContact CG2-CD1 4.08Å; I302-K304 PolarHBondContact O-N 2.65Å
303	D	93.9	Very high	96.4	Very high	66 Å²	66	52.7 Å²	52.7	35%	0.353	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	9.3	-179	-31.7	-69.2	0	0	0	116	R223 R227 S301	R223-D303 IonicContact CZ-OD1 2.77Å; R223-D303 IonicContact NH1-OD1 2.55Å; R223-D303 PolarHBondContact NH1-OD1 2.95Å; R227-D303 IonicContact CZ-OD2 3.33Å; R227-D303 IonicContact NE-OD2 3.72Å; R227-D303 VanDerWaalsContact NH2-CG 3.26Å; R227-D303 IonicContact NH2-OD1 3.77Å; R227-D303 PolarHBondContact NH2-OD1 2.84Å; R227-D303 IonicContact NH2-OD2 3.57Å; R227-D303 PolarHBondContact NH2-OD2 3.26Å; S301-D303 PolarHBondContact O-N 3.42Å
304	K	96.5	Very high	96.2	Very high	133 Å²	133	55.5 Å²	55.5	58%	0.578	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-47.1	-173.3	-67.9	168.2	-176.9	165.2	0	112.7	V298 E299 Q300 S301 I302	V298-K304 PolarHBondContact O-NZ 3.38Å; V298-K304 VanDerWaalsContact O-NZ 3.14Å; E299-K304 VanDerWaalsContact C-NZ 3.27Å; E299-K304 WeakPolarHBondContact O-CD 3.49Å; E299-K304 WeakPolarHBondContact O-CE 3.12Å; E299-K304 PolarHBondContact O-NZ 3.5Å; Q300-K304 WeakPolarHBondContact O-CB 3.25Å; S301-K304 PolarHBondContact O-N 2.03Å; S301-K304 VanDerWaalsContact O-N 3.08Å; I302-K304 PolarHBondContact O-N 2.65Å
305	H	96.8	Very high	96	Very high	46 Å²	46	59.4 Å²	59.4	21%	0.213	29%	0.286	C	S	.	.			trans	-85.3	129	-176.6	-164.4	-69.5	0	0	0	110.6	Q300 S301 N307 C308 A326	Q300-H305 WeakPolarHBondContact O-CB 3.25Å; S301-H305 PolarHBondContact O-N 3.29Å; H305-N307 WeakPolarHBondContact ND1-CB 3.46Å; H305-N307 PolarHBondContact ND1-N 3.2Å; H305-N307 PolarHBondContact O-N 2.88Å; H305-C308 HydrophobicContact CB-CB 4.26Å; H305-C308 WeakPolarHBondContact O-CB 3.47Å; H305-C308 PolarHBondContact O-N 3.11Å; H305-A326 PolarHBondContact NE2-O 3.1Å
306	H	96.2	Very high	95.9	Very high	157 Å²	157	57.6 Å²	57.6	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.7	-178.9	61.3	-80.4	0	0	0	113.9	C308	H306-C308 VanDerWaalsContact C-N 3.29Å; H306-C308 PolarHBondContact O-N 2.72Å
307	N	94.8	Very high	95.8	Very high	90 Å²	90	55.6 Å²	55.6	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.1	174.1	-64.2	-25.6	0	0	0	115.2	H305 P309 I322 A326	H305-N307 WeakPolarHBondContact ND1-CB 3.46Å; H305-N307 PolarHBondContact ND1-N 3.2Å; H305-N307 PolarHBondContact O-N 2.88Å; N307-P309 WeakPolarHBondContact O-CD 3.41Å; N307-I322 WeakPolarHBondContact O-CG2 3.3Å; N307-A326 HydrophobicContact CB-CB 3.96Å
308	C	96.5	Very high	95.8	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.027	27%	0.273	C	S	.	.	S	Bend	trans	-100.3	110.8	176.8	-179.1	0	0	0	0	110	S301 H305 H306 C323	S301-C308 WeakPolarHBondContact O-CB 3.35Å; S301-C308 WeakPolarHBondContact OG-CB 2.72Å; H305-C308 HydrophobicContact CB-CB 4.26Å; H305-C308 WeakPolarHBondContact O-CB 3.47Å; H305-C308 PolarHBondContact O-N 3.11Å; H306-C308 VanDerWaalsContact C-N 3.29Å; H306-C308 PolarHBondContact O-N 2.72Å; C308-C323 WeakPolarHBondContact CA-SG 3.44Å; C308-C323 HydrophobicContact CB-CB 3.84Å; C308-C323 WeakPolarHBondContact CB-SG 3.21Å; C308-C323 WeakPolarHBondContact SG-CB 3.42Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.32Å
309	P	92.7	Very high	95.7	Very high	25 Å²	25	56 Å²	56	16%	0.162	27%	0.273	C	S	.	.			trans	-64.5	138.1	-174.1	-31	43.3	0	0	0	114	W219 N307 Y311 K319	W219-P309 PolarHBondContact NE1-O 3.43Å; N307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-Y311 HydrophobicContact CB-CD1 3.93Å; P309-Y311 HydrophobicContact CB-CE1 3.53Å; P309-Y311 HydrophobicContact CG-CE1 4.25Å; P309-K319 HydrophobicContact CB-CD 4.11Å; P309-K319 HydrophobicContact CG-CD 3.81Å
310	V	93.1	Very high	95.7	Very high	83 Å²	83	52.3 Å²	52.3	50%	0.503	26%	0.256	S	S	.	.			trans	-107.5	-10.9	179.4	-62.5	0	0	0	0	113.9	R223	R223-V310 VanDerWaalsContact CZ-O 3.27Å; R223-V310 PolarHBondContact NH1-O 2.91Å; R223-V310 PolarHBondContact NH2-O 3.27Å
311	Y	93.4	Very high	95.7	Very high	121 Å²	121	48 Å²	48	48%	0.475	24%	0.236	S	C	.	.	S	Bend	trans	-73.8	159	177.2	67	-98.8	0	0	0	110.4	W219 P309 E313 K319	W219-Y311 VanDerWaalsContact CD1-O 3.23Å; P309-Y311 HydrophobicContact CB-CD1 3.93Å; P309-Y311 HydrophobicContact CB-CE1 3.53Å; P309-Y311 HydrophobicContact CG-CE1 4.25Å; Y311-E313 HydrophobicContact CD2-CB 4.38Å; Y311-E313 HydrophobicContact CD2-CG 4.03Å; Y311-E313 HydrophobicContact CE2-CB 4.05Å; Y311-E313 HydrophobicContact CE2-CG 3.57Å; Y311-E313 WeakPolarHBondContact CE2-OE2 2.82Å; Y311-E313 PolarHBondContact OH-OE2 2.88Å; Y311-K319 VanDerWaalsContact OH-CE 3.3Å; Y311-K319 WeakPolarHBondContact OH-CE 3.4Å; Y311-K319 PolarHBondContact OH-NZ 3.14Å
312	D	93.1	Very high	95.6	Very high	51 Å²	51	50.2 Å²	50.2	27%	0.273	25%	0.247	S	C	.	.			trans	-89.4	138.3	-174.9	-166.2	28.1	0	0	0	112.3	H217 S220	H217-D312 WeakPolarHBondContact CA-OD1 3.48Å; H217-D312 IonicContact CE1-OD2 3.07Å; H217-D312 PolarHBondContact CE1-OD2 2.87Å; H217-D312 IonicContact CG-OD2 3.54Å; H217-D312 IonicContact ND1-OD2 2.75Å; H217-D312 PolarHBondContact ND1-OD2 2.84Å; S220-D312 WeakPolarHBondContact CB-OD1 3.35Å; S220-D312 PolarHBondContact OG-OD1 2.63Å
313	E	93.8	Very high	95.7	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.154	25%	0.247	C	C	.	.			trans	-170.9	177.6	-178.2	52	148.4	-113.8	0	0	112.4	M216 L218 W219 Y311 M315 K319	M216-E313 CarbonylContact O-C 3.57Å; M216-E313 WeakPolarHBondContact O-CA 3.15Å; L218-E313 PolarHBondContact N-O 3.21Å; W219-E313 HydrophobicContact CB-CG 4.18Å; W219-E313 WeakPolarHBondContact CB-O 3.36Å; W219-E313 PolarHBondContact N-O 3.48Å; Y311-E313 HydrophobicContact CD2-CB 4.38Å; Y311-E313 HydrophobicContact CD2-CG 4.03Å; Y311-E313 HydrophobicContact CE2-CB 4.05Å; Y311-E313 HydrophobicContact CE2-CG 3.57Å; Y311-E313 WeakPolarHBondContact CE2-OE2 2.82Å; Y311-E313 PolarHBondContact OH-OE2 2.88Å; E313-M315 WeakPolarHBondContact OE1-CB 3.41Å; E313-M315 PolarHBondContact OE1-N 3Å; E313-K319 WeakPolarHBondContact OE1-CE 3.46Å; E313-K319 WeakPolarHBondContact OE1-CG 3.42Å; E313-K319 IonicContact OE1-NZ 2.7Å; E313-K319 WeakPolarHBondContact OE2-CE 3.17Å; E313-K319 IonicContact OE2-NZ 3.23Å; E313-K319 PolarHBondContact OE2-NZ 3.09Å
314	D	94.6	Very high	95.9	Very high	59 Å²	59	47 Å²	47	32%	0.316	23%	0.23	S	C	.	.	S	Bend	trans	-99.2	-13.4	-173.5	80.1	-30.6	0	0	0	115.9	R215 E316	R215-D314 HydrophobicContact CG-CB 4.18Å; R215-D314 IonicContact CZ-OD2 3.35Å; R215-D314 IonicContact NE-OD2 3.96Å; R215-D314 PolarHBondContact NE-OD2 2.92Å; R215-D314 IonicContact NH2-OD2 3.85Å; R215-D314 VanDerWaalsContact O-CB 3.24Å; R215-D314 WeakPolarHBondContact O-CB 3.13Å; D314-E316 PolarHBondContact O-N 3.41Å
315	M	95.6	Very high	96	Very high	82 Å²	82	42.8 Å²	42.8	40%	0.404	21%	0.212	S	C	.	.			trans	-85.4	54.2	-179.2	-58.5	-172.8	178.3	0	0	111.9	I275 E313 D317 V318 K319	I275-M315 HydrophobicContact CD1-SD 4.3Å; E313-M315 WeakPolarHBondContact OE1-CB 3.41Å; E313-M315 PolarHBondContact OE1-N 3Å; M315-D317 PolarHBondContact O-N 3.24Å; M315-D317 VanDerWaalsContact O-N 3.12Å; M315-V318 HydrophobicContact CB-CB 3.99Å; M315-V318 HydrophobicContact CB-CG2 3.97Å; M315-V318 WeakPolarHBondContact O-CB 3.41Å; M315-V318 PolarHBondContact O-N 2.82Å; M315-V318 HydrophobicContact SD-CG2 4.36Å; M315-K319 WeakPolarHBondContact O-CG 3.46Å; M315-K319 PolarHBondContact O-N 3.03Å
316	E	96.3	Very high	96	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-49.3	-41.1	-179.2	169.5	-96.4	-163.8	0	0	113.3	L218 W219 F222 K241 Y287 D314 K319 M320	L218-E316 HydrophobicContact CB-CB 4.03Å; W219-E316 HydrophobicContact CE3-CG 4.33Å; F222-E316 HydrophobicContact CB-CG 3.58Å; F222-E316 HydrophobicContact CD1-CG 3.96Å; F222-E316 WeakPolarHBondContact CD1-OE1 3.11Å; F222-E316 HydrophobicContact CD2-CB 4.4Å; F222-E316 HydrophobicContact CD2-CG 3.44Å; F222-E316 VanDerWaalsContact CD2-CG 3.44Å; F222-E316 WeakPolarHBondContact CD2-OE1 3.49Å; F222-E316 WeakPolarHBondContact CE1-OE1 3.49Å; F222-E316 HydrophobicContact CE2-CG 4.03Å; F222-E316 WeakPolarHBondContact CE2-OE1 3.5Å; F222-E316 HydrophobicContact CG-CG 3.35Å; F222-E316 WeakPolarHBondContact CG-OE1 3.43Å; F222-E316 WeakPolarHBondContact CZ-OE1 3.32Å; K241-E316 WeakPolarHBondContact CE-OE1 3.18Å; K241-E316 IonicContact NZ-OE2 3.78Å; Y287-E316 PolarHBondContact OH-OE1 2.92Å; D314-E316 PolarHBondContact O-N 3.41Å; E316-K319 PolarHBondContact O-N 2.73Å; E316-M320 HydrophobicContact CG-CG 4.07Å; E316-M320 VanDerWaalsContact O-CB 3.25Å; E316-M320 WeakPolarHBondContact O-CB 3.44Å; E316-M320 WeakPolarHBondContact O-CG 2.82Å; E316-M320 PolarHBondContact O-N 3.25Å
317	D	97.2	Very high	96.1	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-72.5	-37.2	-172.6	63.2	-18.1	0	0	0	111.9	Y280 F281 G283 Y287 M315 S321	Y280-D317 HydrophobicContact CD2-CB 4.47Å; F281-D317 VanDerWaalsContact O-CB 3.32Å; F281-D317 WeakPolarHBondContact O-CB 3.49Å; G283-D317 VanDerWaalsContact N-CB 3.3Å; G283-D317 PolarHBondContact N-OD2 3.05Å; Y287-D317 HydrophobicContact CE1-CB 4.45Å; M315-D317 PolarHBondContact O-N 3.24Å; M315-D317 VanDerWaalsContact O-N 3.12Å; D317-S321 WeakPolarHBondContact O-CB 3.4Å; D317-S321 PolarHBondContact O-N 2.85Å; D317-S321 VanDerWaalsContact O-N 3.11Å; D317-S321 PolarHBondContact O-OG 3.2Å
318	V	97.3	Very high	96.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-49.5	167.6	178.6	0	0	0	0	110.1	I275 Y280 M315 S321 I322	I275-V318 HydrophobicContact CB-CG2 4.4Å; I275-V318 HydrophobicContact CD1-CG2 4.02Å; I275-V318 HydrophobicContact CG2-CG1 3.76Å; I275-V318 HydrophobicContact CG2-CG2 4.12Å; Y280-V318 HydrophobicContact CD1-CG2 4.1Å; Y280-V318 HydrophobicContact CD2-CB 4.39Å; Y280-V318 HydrophobicContact CD2-CG2 3.59Å; Y280-V318 HydrophobicContact CE1-CG2 4.14Å; Y280-V318 HydrophobicContact CE2-CG2 3.63Å; Y280-V318 HydrophobicContact CG-CB 4.45Å; Y280-V318 HydrophobicContact CG-CG2 3.83Å; M315-V318 HydrophobicContact CB-CB 3.99Å; M315-V318 HydrophobicContact CB-CG2 3.97Å; M315-V318 WeakPolarHBondContact O-CB 3.41Å; M315-V318 PolarHBondContact O-N 2.82Å; M315-V318 HydrophobicContact SD-CG2 4.36Å; V318-S321 PolarHBondContact O-N 3.43Å; V318-I322 HydrophobicContact CG1-CD1 3.69Å; V318-I322 HydrophobicContact CG1-CG1 4.41Å; V318-I322 VanDerWaalsContact O-CG1 3.3Å; V318-I322 WeakPolarHBondContact O-CG1 3.28Å; V318-I322 PolarHBondContact O-N 3.31Å
319	K	97.4	Very high	96.3	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-42.4	-177.1	-58	-47.5	173.3	-170.3	0	113.2	W219 P309 Y311 E313 M315 E316 S321 I322 C323	W219-K319 HydrophobicContact CD2-CB 3.47Å; W219-K319 VanDerWaalsContact CD2-CB 3.47Å; W219-K319 HydrophobicContact CD2-CG 4.03Å; W219-K319 HydrophobicContact CE3-CB 3.67Å; W219-K319 HydrophobicContact CG-CB 4Å; W219-K319 HydrophobicContact CG-CG 4Å; W219-K319 HydrophobicContact CH2-CB 4.05Å; W219-K319 HydrophobicContact CZ2-CB 3.86Å; W219-K319 HydrophobicContact CZ3-CB 3.96Å; P309-K319 HydrophobicContact CB-CD 4.11Å; P309-K319 HydrophobicContact CG-CD 3.81Å; Y311-K319 VanDerWaalsContact OH-CE 3.3Å; Y311-K319 WeakPolarHBondContact OH-CE 3.4Å; Y311-K319 PolarHBondContact OH-NZ 3.14Å; E313-K319 WeakPolarHBondContact OE1-CE 3.46Å; E313-K319 WeakPolarHBondContact OE1-CG 3.42Å; E313-K319 IonicContact OE1-NZ 2.7Å; E313-K319 WeakPolarHBondContact OE2-CE 3.17Å; E313-K319 IonicContact OE2-NZ 3.23Å; E313-K319 PolarHBondContact OE2-NZ 3.09Å; M315-K319 WeakPolarHBondContact O-CG 3.46Å; M315-K319 PolarHBondContact O-N 3.03Å; E316-K319 PolarHBondContact O-N 2.73Å; K319-S321 VanDerWaalsContact C-N 3.26Å; K319-S321 PolarHBondContact O-N 2.79Å; K319-I322 HydrophobicContact CD-CD1 4.45Å; K319-I322 PolarHBondContact O-N 3.12Å; K319-C323 VanDerWaalsContact O-CB 3.25Å; K319-C323 WeakPolarHBondContact O-CB 3.42Å; K319-C323 PolarHBondContact O-N 2.81Å; K319-C323 PolarHBondContact O-SG 2.78Å
320	M	97.6	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-50.8	-48.4	170.7	-79.5	-65.3	-48.1	0	0	111.4	W219 L226 Y287 L289 I297 E316 G324	W219-M320 HydrophobicContact CE3-CG 4.37Å; W219-M320 HydrophobicContact CH2-SD 4.3Å; W219-M320 HydrophobicContact CZ3-CG 3.73Å; W219-M320 HydrophobicContact CZ3-SD 3.61Å; L226-M320 HydrophobicContact CD1-CE 4.05Å; L226-M320 HydrophobicContact CD1-SD 3.49Å; L226-M320 WeakPolarHBondContact CD1-SD 3.2Å; L226-M320 HydrophobicContact CD2-CE 3.73Å; L226-M320 HydrophobicContact CD2-SD 4.09Å; L226-M320 HydrophobicContact CG-CE 4.32Å; L226-M320 HydrophobicContact CG-SD 4.02Å; Y287-M320 HydrophobicContact CE2-CE 4.22Å; Y287-M320 WeakPolarHBondContact OH-CG 3.33Å; L289-M320 HydrophobicContact CD1-CE 4.34Å; L289-M320 HydrophobicContact CD2-CE 4.26Å; I297-M320 HydrophobicContact CD1-CE 4.46Å; E316-M320 HydrophobicContact CG-CG 4.07Å; E316-M320 VanDerWaalsContact O-CB 3.25Å; E316-M320 WeakPolarHBondContact O-CB 3.44Å; E316-M320 WeakPolarHBondContact O-CG 2.82Å; E316-M320 PolarHBondContact O-N 3.25Å; M320-G324 PolarHBondContact O-N 2.9Å
321	S	97.8	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-40.7	-179.3	-57.9	0	0	0	0	112.7	Y280 F281 D317 V318 K319 Q325	Y280-S321 WeakPolarHBondContact CA-OG 3.32Å; Y280-S321 WeakPolarHBondContact CB-OG 3.45Å; F281-S321 PolarHBondContact N-OG 2.84Å; F281-S321 VanDerWaalsContact N-OG 3.1Å; D317-S321 WeakPolarHBondContact O-CB 3.4Å; D317-S321 PolarHBondContact O-N 2.85Å; D317-S321 VanDerWaalsContact O-N 3.11Å; D317-S321 PolarHBondContact O-OG 3.2Å; V318-S321 PolarHBondContact O-N 3.43Å; K319-S321 VanDerWaalsContact C-N 3.26Å; K319-S321 PolarHBondContact O-N 2.79Å; S321-Q325 WeakPolarHBondContact O-CB 3.21Å; S321-Q325 VanDerWaalsContact O-CG 3.23Å; S321-Q325 WeakPolarHBondContact O-CG 3.28Å; S321-Q325 PolarHBondContact O-N 3.06Å; S321-Q325 PolarHBondContact O-NE2 2.87Å
322	I	97.2	Very high	97	Very high	46 Å²	46	33.4 Å²	33.4	24%	0.236	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-48.1	176.3	-72.5	171.7	0	0	0	110.5	A276 N307 V318 K319 G324 Q325 A326	A276-I322 HydrophobicContact CB-CD1 4.43Å; A276-I322 HydrophobicContact CB-CG1 4.07Å; N307-I322 WeakPolarHBondContact O-CG2 3.3Å; V318-I322 HydrophobicContact CG1-CD1 3.69Å; V318-I322 HydrophobicContact CG1-CG1 4.41Å; V318-I322 VanDerWaalsContact O-CG1 3.3Å; V318-I322 WeakPolarHBondContact O-CG1 3.28Å; V318-I322 PolarHBondContact O-N 3.31Å; K319-I322 HydrophobicContact CD-CD1 4.45Å; K319-I322 PolarHBondContact O-N 3.12Å; I322-G324 PolarHBondContact O-N 2.83Å; I322-Q325 PolarHBondContact O-N 2.95Å; I322-A326 WeakPolarHBondContact O-CB 3.39Å; I322-A326 PolarHBondContact O-N 2.94Å
323	C	98	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-41.4	179.4	-67.9	0	0	0	0	111.6	W219 S301 C308 K319 A326	W219-C323 HydrophobicContact CH2-CB 4.48Å; W219-C323 VanDerWaalsContact CZ2-SG 3.59Å; S301-C323 WeakPolarHBondContact CB-O 3.35Å; S301-C323 VanDerWaalsContact OG-CA 3.26Å; S301-C323 WeakPolarHBondContact OG-CA 3.49Å; S301-C323 VanDerWaalsContact OG-CB 3.3Å; S301-C323 WeakPolarHBondContact OG-CB 3.03Å; S301-C323 PolarHBondContact OG-O 3.11Å; C308-C323 WeakPolarHBondContact CA-SG 3.44Å; C308-C323 HydrophobicContact CB-CB 3.84Å; C308-C323 WeakPolarHBondContact CB-SG 3.21Å; C308-C323 WeakPolarHBondContact SG-CB 3.42Å; C308-C323 CovalentContact SG-SG 2.03Å; C308-C323 PolarHBondContact SG-SG 3.32Å; K319-C323 VanDerWaalsContact O-CB 3.25Å; K319-C323 WeakPolarHBondContact O-CB 3.42Å; K319-C323 PolarHBondContact O-N 2.81Å; K319-C323 PolarHBondContact O-SG 2.78Å; C323-A326 PolarHBondContact O-N 2.82Å
324	G	98.3	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-50.4	173.5	0	0	0	0	0	112.5	M320 I322 A326 V327 G328 V329	M320-G324 PolarHBondContact O-N 2.9Å; I322-G324 PolarHBondContact O-N 2.83Å; G324-A326 VanDerWaalsContact C-N 3.25Å; G324-A326 PolarHBondContact O-N 3.12Å; G324-V327 CarbonylContact O-C 3.57Å; G324-V327 WeakPolarHBondContact O-CG2 3.35Å; G324-V327 PolarHBondContact O-N 3.4Å; G324-G328 PolarHBondContact O-N 3.29Å; G324-V329 VanDerWaalsContact O-CB 3.23Å; G324-V329 WeakPolarHBondContact O-CB 3.4Å; G324-V329 WeakPolarHBondContact O-CG2 3.1Å; G324-V329 PolarHBondContact O-N 3.48Å
325	Q	97.8	Very high	96.7	Very high	44 Å²	44	33 Å²	33	21%	0.206	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-36.2	-179.9	-73.9	172.5	75.4	0	0	112.6	N278 G279 S321 I322 V327 G328 L331	N278-Q325 PolarHBondContact ND2-OE1 2.96Å; G279-Q325 PolarHBondContact O-NE2 2.87Å; S321-Q325 WeakPolarHBondContact O-CB 3.21Å; S321-Q325 VanDerWaalsContact O-CG 3.23Å; S321-Q325 WeakPolarHBondContact O-CG 3.28Å; S321-Q325 PolarHBondContact O-N 3.06Å; S321-Q325 PolarHBondContact O-NE2 2.87Å; I322-Q325 PolarHBondContact O-N 2.95Å; Q325-V327 PolarHBondContact O-N 3.43Å; Q325-V327 VanDerWaalsContact O-N 3.15Å; Q325-G328 PolarHBondContact O-N 2.65Å; Q325-G328 VanDerWaalsContact O-N 3.12Å; Q325-L331 HydrophobicContact CG-CD1 4.47Å; Q325-L331 HydrophobicContact CG-CG 4.31Å
326	A	97.5	Very high	96.1	Very high	24 Å²	24	29.7 Å²	29.7	20%	0.198	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-25.6	177	0	0	0	0	0	113.6	H305 N307 I322 C323 G324	H305-A326 PolarHBondContact NE2-O 3.1Å; N307-A326 HydrophobicContact CB-CB 3.96Å; I322-A326 WeakPolarHBondContact O-CB 3.39Å; I322-A326 PolarHBondContact O-N 2.94Å; C323-A326 PolarHBondContact O-N 2.82Å; G324-A326 VanDerWaalsContact C-N 3.25Å; G324-A326 PolarHBondContact O-N 3.12Å
327	V	98.1	Very high	95.2	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.079	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	25	-179.9	-60.7	0	0	0	0	112.5	R296 I297 Q300 G324 Q325 V329	R296-V327 HydrophobicContact CB-CB 4.22Å; R296-V327 HydrophobicContact CB-CG2 3.69Å; R296-V327 WeakPolarHBondContact CD-O 3.36Å; I297-V327 HydrophobicContact CG1-CG2 4.46Å; Q300-V327 HydrophobicContact CB-CB 4.34Å; Q300-V327 HydrophobicContact CB-CG1 3.71Å; G324-V327 CarbonylContact O-C 3.57Å; G324-V327 WeakPolarHBondContact O-CG2 3.35Å; G324-V327 PolarHBondContact O-N 3.4Å; Q325-V327 PolarHBondContact O-N 3.43Å; Q325-V327 VanDerWaalsContact O-N 3.15Å; V327-V329 HydrophobicContact CG2-CG2 4.2Å; V327-V329 PolarHBondContact O-N 2.86Å
328	G	97.9	Very high	94.2	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	15.5	173.1	0	0	0	0	0	115.2	G324 Q325 R330	G324-G328 PolarHBondContact O-N 3.29Å; Q325-G328 PolarHBondContact O-N 2.65Å; Q325-G328 VanDerWaalsContact O-N 3.12Å; G328-R330 PolarHBondContact O-N 3.32Å
329	V	98.5	Very high	93.4	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-71.8	122.4	171.2	-179.7	0	0	0	0	109.5	P265 M267 A293 I297 G324 V327	P265-V329 HydrophobicContact CB-CG2 4.31Å; P265-V329 WeakPolarHBondContact O-CA 3.39Å; M267-V329 HydrophobicContact CB-CG1 4.35Å; M267-V329 HydrophobicContact CG-CG1 3.67Å; M267-V329 HydrophobicContact SD-CG1 3.94Å; A293-V329 HydrophobicContact CB-CB 4.48Å; A293-V329 HydrophobicContact CB-CG1 3.71Å; A293-V329 HydrophobicContact CB-CG2 3.86Å; I297-V329 HydrophobicContact CD1-CG2 4.41Å; I297-V329 HydrophobicContact CG1-CG2 4.26Å; G324-V329 VanDerWaalsContact O-CB 3.23Å; G324-V329 WeakPolarHBondContact O-CB 3.4Å; G324-V329 WeakPolarHBondContact O-CG2 3.1Å; G324-V329 PolarHBondContact O-N 3.48Å; V327-V329 HydrophobicContact CG2-CG2 4.2Å; V327-V329 PolarHBondContact O-N 2.86Å
330	R	98	Very high	92.9	Very high	165 Å²	165	36.3 Å²	36.3	62%	0.623	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.5	178.2	-65.7	-177.8	176.7	-174.7	0	110.9	P265 F266 M267 G328 Y332	P265-R330 PolarHBondContact O-N 2.93Å; F266-R330 CarbonylContact C-O 3.44Å; F266-R330 WeakPolarHBondContact CA-O 3.22Å; F266-R330 WeakPolarHBondContact CB-O 3.1Å; M267-R330 PolarHBondContact N-O 2.83Å; G328-R330 PolarHBondContact O-N 3.32Å; R330-Y332 HydrophobicContact CB-CE1 4.46Å; R330-Y332 HydrophobicContact CB-CE2 4.07Å; R330-Y332 WeakPolarHBondContact CD-OH 3.43Å; R330-Y332 PolarHBondContact NH1-OH 2.9Å
331	L	97.9	Very high	92.5	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.9	169.7	-52.2	-172	0	0	0	107.9	M267 R271 G279 F281 Q325	M267-L331 HydrophobicContact CB-CD2 3.92Å; M267-L331 HydrophobicContact SD-CD2 4.15Å; R271-L331 PolarHBondContact NH2-O 2.91Å; G279-L331 WeakPolarHBondContact O-CD1 3.43Å; F281-L331 HydrophobicContact CD2-CD2 3.97Å; F281-L331 HydrophobicContact CE1-CB 4.46Å; F281-L331 HydrophobicContact CE2-CB 3.73Å; F281-L331 HydrophobicContact CE2-CD2 3.58Å; F281-L331 HydrophobicContact CE2-CG 4.11Å; F281-L331 HydrophobicContact CZ-CB 3.62Å; F281-L331 HydrophobicContact CZ-CD2 4.37Å; F281-L331 HydrophobicContact CZ-CG 4.43Å; Q325-L331 HydrophobicContact CG-CD1 4.47Å; Q325-L331 HydrophobicContact CG-CG 4.31Å
332	Y	96.9	Very high	92.3	Very high	69 Å²	69	41.9 Å²	41.9	27%	0.271	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.2	170.1	-59.8	-66.5	0	0	0	111.9	Y260 F266 M267 L268 F281 R330	Y260-Y332 HydrophobicContact CD1-CD2 4.48Å; Y260-Y332 AromaticContact CE1-CD2 3.81Å; Y260-Y332 HydrophobicContact CE1-CD2 3.81Å; Y260-Y332 HydrophobicContact CE1-CE2 4.23Å; Y260-Y332 HydrophobicContact CE1-CG 4.33Å; F266-Y332 HydrophobicContact CB-CD2 3.6Å; F266-Y332 HydrophobicContact CB-CE2 3.51Å; F266-Y332 HydrophobicContact CD2-CD2 4.08Å; F266-Y332 AromaticContact CG-CD2 3.97Å; F266-Y332 HydrophobicContact CG-CD2 3.97Å; F266-Y332 HydrophobicContact CG-CE2 4.06Å; M267-Y332 PolarHBondContact O-N 2.84Å; L268-Y332 HydrophobicContact CD2-CD2 4.36Å; L268-Y332 HydrophobicContact CD2-CG 4.49Å; F281-Y332 VanDerWaalsContact CZ-O 3.26Å; F281-Y332 WeakPolarHBondContact CZ-O 3.09Å; R330-Y332 HydrophobicContact CB-CE1 4.46Å; R330-Y332 HydrophobicContact CB-CE2 4.07Å; R330-Y332 WeakPolarHBondContact CD-OH 3.43Å; R330-Y332 PolarHBondContact NH1-OH 2.9Å
333	D	92.6	Very high	92.3	Very high	49 Å²	49	39.8 Å²	39.8	26%	0.262	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	148	173.8	-58.2	-35.8	0	0	0	109.9	R271 F335	R271-D333 WeakPolarHBondContact CB-OD1 3.45Å; R271-D333 IonicContact CZ-OD1 3.56Å; R271-D333 VanDerWaalsContact CZ-OD1 3.31Å; R271-D333 IonicContact CZ-OD2 3.6Å; R271-D333 IonicContact NE-OD1 3.78Å; R271-D333 PolarHBondContact NE-OD1 3.25Å; R271-D333 IonicContact NE-OD2 3.87Å; R271-D333 PolarHBondContact NE-OD2 3.26Å; R271-D333 VanDerWaalsContact NH2-CG 3.31Å; R271-D333 IonicContact NH2-OD1 2.72Å; R271-D333 PolarHBondContact NH2-OD1 3.2Å; R271-D333 IonicContact NH2-OD2 2.79Å; R271-D333 PolarHBondContact NH2-OD2 2.92Å; D333-F335 HydrophobicContact CB-CD2 4.08Å; D333-F335 HydrophobicContact CB-CE2 3.36Å; D333-F335 HydrophobicContact CB-CZ 3.76Å
334	T	92.1	Very high	92.1	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	21%	0.206	C	C	.	.			trans	-116.1	110.5	177.1	64.7	0	0	0	0	110.4	V256 L268 R342 F343	V256-T334 HydrophobicContact CG1-CG2 3.96Å; L268-T334 HydrophobicContact CB-CG2 4.12Å; L268-T334 HydrophobicContact CD1-CG2 4.09Å; L268-T334 HydrophobicContact CD2-CG2 4.11Å; L268-T334 HydrophobicContact CG-CG2 4.33Å; T334-R342 PolarHBondContact O-N 2.64Å; T334-F343 HydrophobicContact CG2-CD2 4.39Å; T334-F343 HydrophobicContact CG2-CE2 3.97Å; T334-F343 WeakPolarHBondContact OG1-CD2 3.41Å; T334-F343 WeakPolarHBondContact OG1-CE2 3.19Å
335	F	90.4	Very high	91.7	Very high	80 Å²	80	44.9 Å²	44.9	35%	0.351	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-110.7	153.1	177.6	-60.1	-72.5	0	0	0	111	D333 G339 R340 Y341 R342	D333-F335 HydrophobicContact CB-CD2 4.08Å; D333-F335 HydrophobicContact CB-CE2 3.36Å; D333-F335 HydrophobicContact CB-CZ 3.76Å; F335-G339 WeakPolarHBondContact CD1-O 3.42Å; F335-R340 CarbonylContact C-O 3.53Å; F335-R340 VanDerWaalsContact CA-O 3.28Å; F335-R340 WeakPolarHBondContact CA-O 3.41Å; F335-Y341 HydrophobicContact CD1-CD1 4.16Å; F335-Y341 HydrophobicContact CD1-CE1 4.4Å; F335-Y341 HydrophobicContact CD1-CG 4.33Å; F335-Y341 AromaticContact CE1-CD1 3.51Å; F335-Y341 HydrophobicContact CE1-CD1 3.51Å; F335-Y341 HydrophobicContact CE1-CD2 4.07Å; F335-Y341 AromaticContact CE1-CE1 3.34Å; F335-Y341 HydrophobicContact CE1-CE1 3.34Å; F335-Y341 AromaticContact CE1-CE2 3.91Å; F335-Y341 HydrophobicContact CE1-CE2 3.91Å; F335-Y341 AromaticContact CE1-CG 3.87Å; F335-Y341 HydrophobicContact CE1-CG 3.87Å; F335-Y341 AromaticContact CE1-CZ 3.56Å; F335-Y341 HydrophobicContact CZ-CD1 4.15Å; F335-Y341 AromaticContact CZ-CE1 3.6Å; F335-Y341 HydrophobicContact CZ-CE1 3.6Å; F335-Y341 AromaticContact CZ-CZ 3.87Å; F335-R342 VanDerWaalsContact C-NE 3.32Å; F335-R342 VanDerWaalsContact O-CZ 3.28Å; F335-R342 PolarHBondContact O-NE 2.8Å; F335-R342 PolarHBondContact O-NH2 3.44Å
336	D	83.8	Confident	91.2	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.064	21%	0.214	C	C	.	.			trans	-82.2	179.7	161.8	74.4	12.1	0	0	0	112.5	L338 G339 R340 S382 V384	D336-L338 PolarHBondContact O-N 2.91Å; D336-L338 VanDerWaalsContact O-N 3.08Å; D336-L338 WeakPolarHBondContact OD1-CA 3.32Å; D336-L338 PolarHBondContact OD1-N 2.7Å; D336-G339 PolarHBondContact O-N 2.76Å; D336-G339 PolarHBondContact OD1-N 2.62Å; D336-R340 PolarHBondContact N-O 2.82Å; D336-R340 WeakPolarHBondContact OD1-CB 3.23Å; D336-R340 PolarHBondContact OD1-N 3.36Å; D336-R340 IonicContact OD1-NE 2.72Å; D336-R340 PolarHBondContact OD1-NE 2.82Å; D336-R340 IonicContact OD2-CZ 3.79Å; D336-R340 IonicContact OD2-NE 3.18Å; D336-R340 PolarHBondContact OD2-NE 2.91Å; D336-R340 IonicContact OD2-NH2 2.83Å; D336-R340 PolarHBondContact OD2-NH2 3.48Å; D336-S382 VanDerWaalsContact CB-OG 3.29Å; D336-S382 WeakPolarHBondContact CB-OG 3.4Å; D336-S382 VanDerWaalsContact OD2-CA 3.29Å; D336-S382 WeakPolarHBondContact OD2-CA 3.49Å; D336-S382 VanDerWaalsContact OD2-CB 3.22Å; D336-S382 WeakPolarHBondContact OD2-CB 3.29Å; D336-S382 PolarHBondContact OD2-OG 2.8Å; D336-V384 HydrophobicContact CB-CG2 3.86Å
337	I	77.3	Confident	90.6	Very high	70 Å²	70	41.7 Å²	41.7	36%	0.359	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.8	-177.6	64.7	176.8	0	0	0	113.6	L367 Y373 L418	I337-L367 HydrophobicContact CD1-CD1 3.78Å; I337-Y373 HydrophobicContact CD1-CE1 4.24Å; I337-Y373 HydrophobicContact CD1-CE2 4.29Å; I337-L418 HydrophobicContact CG2-CD1 3.71Å; I337-L418 HydrophobicContact CG2-CD2 3.9Å; I337-L418 HydrophobicContact CG2-CG 4.21Å
338	L	76.4	Confident	89.9	Confident	53 Å²	53	43 Å²	43	28%	0.277	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.4	176.9	-53.8	-173	0	0	0	111.9	D336 R340 L367 Y373 A375	D336-L338 PolarHBondContact O-N 2.91Å; D336-L338 VanDerWaalsContact O-N 3.08Å; D336-L338 WeakPolarHBondContact OD1-CA 3.32Å; D336-L338 PolarHBondContact OD1-N 2.7Å; L338-R340 VanDerWaalsContact C-N 3.34Å; L338-R340 HydrophobicContact CB-CG 4.38Å; L338-L367 HydrophobicContact CD2-CD2 4.12Å; L338-Y373 HydrophobicContact CD1-CE1 4.18Å; L338-Y373 HydrophobicContact CD2-CD1 4.19Å; L338-Y373 HydrophobicContact CD2-CE1 4.31Å; L338-A375 HydrophobicContact CD1-CB 3.68Å
339	G	80.5	Confident	88.9	Confident	49 Å²	49	45 Å²	45	51%	0.505	21%	0.213	S	C	.	.	S	Bend	trans	76.7	16	-179.1	0	0	0	0	0	114.3	F335 D336	F335-G339 WeakPolarHBondContact CD1-O 3.42Å; D336-G339 PolarHBondContact O-N 2.76Å; D336-G339 PolarHBondContact OD1-N 2.62Å
340	R	85.6	Confident	87.8	Confident	26 Å²	26	46.1 Å²	46.1	10%	0.098	22%	0.219	C	C	.	.			trans	-88.6	138.3	179.8	-58.5	171.9	-66.6	-179.4	-0.7	110.6	F335 D336 L338 H377 S379 L381 D383	F335-R340 CarbonylContact C-O 3.53Å; F335-R340 VanDerWaalsContact CA-O 3.28Å; F335-R340 WeakPolarHBondContact CA-O 3.41Å; D336-R340 PolarHBondContact N-O 2.82Å; D336-R340 WeakPolarHBondContact OD1-CB 3.23Å; D336-R340 PolarHBondContact OD1-N 3.36Å; D336-R340 IonicContact OD1-NE 2.72Å; D336-R340 PolarHBondContact OD1-NE 2.82Å; D336-R340 IonicContact OD2-CZ 3.79Å; D336-R340 IonicContact OD2-NE 3.18Å; D336-R340 PolarHBondContact OD2-NE 2.91Å; D336-R340 IonicContact OD2-NH2 2.83Å; D336-R340 PolarHBondContact OD2-NH2 3.48Å; L338-R340 VanDerWaalsContact C-N 3.34Å; L338-R340 HydrophobicContact CB-CG 4.38Å; R340-H377 PolarHBondContact NH1-CE1 2.56Å; R340-H377 PolarHBondContact NH1-ND1 2.84Å; R340-S379 WeakPolarHBondContact CD-O 3.38Å; R340-S379 PolarHBondContact NH1-O 3.35Å; R340-L381 PolarHBondContact NH1-O 3.14Å; R340-D383 IonicContact CZ-OD1 3.31Å; R340-D383 IonicContact NH1-OD1 3.44Å; R340-D383 PolarHBondContact NH1-OD1 2.83Å; R340-D383 IonicContact NH2-OD1 3.01Å; R340-D383 PolarHBondContact NH2-OD1 3.07Å
341	Y	89.8	Confident	86.6	Confident	87 Å²	87	39.9 Å²	39.9	34%	0.341	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-59.2	138	176.8	-74	-80.3	0	0	0	111.6	H270 F335	H270-Y341 AromaticContact CE1-CD1 3.85Å; H270-Y341 AromaticContact CE1-CD2 3.9Å; H270-Y341 AromaticContact CE1-CG 3.77Å; H270-Y341 AromaticContact ND1-CD1 3.76Å; H270-Y341 AromaticContact ND1-CG 3.85Å; F335-Y341 HydrophobicContact CD1-CD1 4.16Å; F335-Y341 HydrophobicContact CD1-CE1 4.4Å; F335-Y341 HydrophobicContact CD1-CG 4.33Å; F335-Y341 AromaticContact CE1-CD1 3.51Å; F335-Y341 HydrophobicContact CE1-CD1 3.51Å; F335-Y341 HydrophobicContact CE1-CD2 4.07Å; F335-Y341 AromaticContact CE1-CE1 3.34Å; F335-Y341 HydrophobicContact CE1-CE1 3.34Å; F335-Y341 AromaticContact CE1-CE2 3.91Å; F335-Y341 HydrophobicContact CE1-CE2 3.91Å; F335-Y341 AromaticContact CE1-CG 3.87Å; F335-Y341 HydrophobicContact CE1-CG 3.87Å; F335-Y341 AromaticContact CE1-CZ 3.56Å; F335-Y341 HydrophobicContact CZ-CD1 4.15Å; F335-Y341 AromaticContact CZ-CE1 3.6Å; F335-Y341 HydrophobicContact CZ-CE1 3.6Å; F335-Y341 AromaticContact CZ-CZ 3.87Å
342	R	94.6	Very high	85.2	Confident	30 Å²	30	43.6 Å²	43.6	11%	0.113	21%	0.211	C	C	.	.	S	Bend	trans	-93.6	-32.3	173.1	-57.5	-171.2	-167.1	-168.3	8.1	112.9	V256 T334 F335 I386 S387	V256-R342 VanDerWaalsContact CG2-NH1 3.33Å; T334-R342 PolarHBondContact O-N 2.64Å; F335-R342 VanDerWaalsContact C-NE 3.32Å; F335-R342 VanDerWaalsContact O-CZ 3.28Å; F335-R342 PolarHBondContact O-NE 2.8Å; F335-R342 PolarHBondContact O-NH2 3.44Å; R342-I386 HydrophobicContact CB-CB 4.32Å; R342-I386 HydrophobicContact CB-CD1 3.9Å; R342-I386 HydrophobicContact CB-CG1 3.98Å; R342-I386 PolarHBondContact O-N 2.52Å; R342-S387 PolarHBondContact O-N 3.4Å
343	F	96.4	Very high	83.6	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-87.4	122.4	167.9	-69.6	-90.3	0	0	0	109.4	L253 L268 H270 A285 V288 T334 I386 S387	L253-F343 HydrophobicContact CD1-CZ 3.95Å; L268-F343 HydrophobicContact CB-CE2 4.02Å; L268-F343 HydrophobicContact CB-CZ 4.34Å; H270-F343 HydrophobicContact CB-CB 3.9Å; H270-F343 WeakPolarHBondContact CB-O 3.26Å; H270-F343 PolarHBondContact ND1-O 3.29Å; A285-F343 HydrophobicContact CB-CB 4.33Å; V288-F343 HydrophobicContact CG2-CZ 4.25Å; T334-F343 HydrophobicContact CG2-CD2 4.39Å; T334-F343 HydrophobicContact CG2-CE2 3.97Å; T334-F343 WeakPolarHBondContact OG1-CD2 3.41Å; T334-F343 WeakPolarHBondContact OG1-CE2 3.19Å; F343-I386 HydrophobicContact CD1-CB 4.47Å; F343-I386 HydrophobicContact CD1-CG2 3.96Å; F343-I386 HydrophobicContact CD2-CD1 4.37Å; F343-I386 HydrophobicContact CE1-CB 4.37Å; F343-I386 HydrophobicContact CE1-CG2 3.51Å; F343-I386 HydrophobicContact CE2-CD1 3.8Å; F343-I386 HydrophobicContact CE2-CG2 4.37Å; F343-I386 HydrophobicContact CZ-CB 4.43Å; F343-I386 HydrophobicContact CZ-CD1 4.04Å; F343-I386 HydrophobicContact CZ-CG2 3.74Å; F343-S387 WeakPolarHBondContact CA-OG 3.36Å; F343-S387 WeakPolarHBondContact CD1-OG 3.31Å
344	L	94.1	Very high	81.8	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.047	24%	0.237	C	C	.	.			trans	-117	125	-178.1	-54.6	162.2	0	0	0	109.5	A346 L351 L381 A385 S387 F388 H389	L344-A346 VanDerWaalsContact C-N 3.32Å; L344-L351 HydrophobicContact CB-CD1 3.93Å; L344-L351 HydrophobicContact CD1-CD1 4.01Å; L344-L351 HydrophobicContact CD2-CD1 4.34Å; L344-L351 HydrophobicContact CG-CD1 4.32Å; L344-L381 HydrophobicContact CD1-CD2 3.81Å; L344-L381 HydrophobicContact CD2-CD2 4.27Å; L344-A385 HydrophobicContact CD1-CB 4.07Å; L344-S387 WeakPolarHBondContact CB-O 3.2Å; L344-S387 PolarHBondContact N-O 3.46Å; L344-S387 VanDerWaalsContact N-O 3.13Å; L344-S387 PolarHBondContact N-OG 2.98Å; L344-F388 HydrophobicContact CB-CD1 4.28Å; L344-F388 HydrophobicContact CD1-CD1 3.51Å; L344-F388 HydrophobicContact CD1-CE1 3.19Å; L344-F388 HydrophobicContact CD1-CZ 3.99Å; L344-H389 PolarHBondContact O-N 3.07Å
345	W	90.1	Very high	80.1	Confident	98 Å²	98	52.2 Å²	52.2	37%	0.371	26%	0.258	S	S	.	.			trans	-86.5	-3.1	-176.7	63.8	-89.2	0	0	0	113.8	H270 F272 A285 M350	H270-W345 AromaticContact CD2-CD1 3.38Å; H270-W345 AromaticContact CE1-CD1 3.47Å; H270-W345 VanDerWaalsContact CE1-CD1 3.47Å; H270-W345 AromaticContact CE1-NE1 3.9Å; H270-W345 AromaticContact CG-CD1 3.74Å; H270-W345 AromaticContact ND1-CD1 3.76Å; H270-W345 AromaticContact NE2-CD1 3.19Å; H270-W345 AromaticContact NE2-NE1 3.55Å; F272-W345 AromaticContact CE1-CD1 3.94Å; F272-W345 HydrophobicContact CE1-CD2 4.27Å; F272-W345 HydrophobicContact CE1-CG 4.18Å; F272-W345 AromaticContact CE1-NE1 3.84Å; F272-W345 HydrophobicContact CE2-CB 4.45Å; F272-W345 HydrophobicContact CE2-CG 4.43Å; F272-W345 HydrophobicContact CZ-CB 3.97Å; F272-W345 AromaticContact CZ-CD1 3.71Å; F272-W345 AromaticContact CZ-CD2 3.65Å; F272-W345 HydrophobicContact CZ-CD2 3.65Å; F272-W345 AromaticContact CZ-CE2 3.93Å; F272-W345 HydrophobicContact CZ-CE3 4.24Å; F272-W345 AromaticContact CZ-CG 3.51Å; F272-W345 HydrophobicContact CZ-CG 3.51Å; F272-W345 AromaticContact CZ-NE1 3.92Å; A285-W345 HydrophobicContact CB-CB 4.04Å; W345-M350 HydrophobicContact CH2-SD 3.99Å; W345-M350 HydrophobicContact CZ3-SD 4.01Å
346	A	86.9	Confident	78.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-120.4	161	-171.8	0	0	0	0	0	111.2	L344 M350 L351 H389	L344-A346 VanDerWaalsContact C-N 3.32Å; A346-M350 HydrophobicContact CB-CB 4.18Å; A346-M350 HydrophobicContact CB-CG 4.13Å; A346-M350 HydrophobicContact CB-SD 3.55Å; A346-M350 VanDerWaalsContact CB-SD 3.55Å; A346-L351 HydrophobicContact CB-CD1 4.21Å; A346-L351 HydrophobicContact CB-CD2 3.9Å; A346-L351 HydrophobicContact CB-CG 3.86Å; A346-H389 CarbonylContact C-O 3.54Å; A346-H389 PolarHBondContact O-N 3.15Å
347	S	85.2	Confident	77.2	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.014	27%	0.269	C	S	.	.			trans	-69.6	156.2	171.1	60.2	0	0	0	0	111.4	Y49 D349 M350 L351 H389	Y49-S347 PolarHBondContact OH-OG 2.91Å; S347-D349 WeakPolarHBondContact CB-OD1 3.05Å; S347-D349 PolarHBondContact O-N 3.49Å; S347-D349 PolarHBondContact OG-OD1 3.31Å; S347-M350 PolarHBondContact O-N 2.98Å; S347-M350 VanDerWaalsContact O-N 3.12Å; S347-L351 WeakPolarHBondContact O-CG 3.45Å; S347-L351 PolarHBondContact O-N 2.62Å; S347-L351 VanDerWaalsContact O-N 3.13Å; S347-H389 WeakPolarHBondContact CA-O 3.08Å; S347-H389 PolarHBondContact N-O 3.12Å
348	L	82.4	Confident	76.2	Confident	40 Å²	40	59.1 Å²	59.1	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-53.5	-43.1	178.6	-70.1	166.2	0	0	0	112.2	L351 Y352 L381 F388 V395 L399	L348-L351 PolarHBondContact O-N 2.81Å; L348-Y352 HydrophobicContact CD2-CE2 4.46Å; L348-Y352 WeakPolarHBondContact O-CB 3.22Å; L348-Y352 WeakPolarHBondContact O-CD2 3.25Å; L348-Y352 PolarHBondContact O-N 3Å; L348-L381 HydrophobicContact CD2-CD1 4.06Å; L348-F388 HydrophobicContact CD2-CD1 3.44Å; L348-F388 VanDerWaalsContact CD2-CD1 3.44Å; L348-F388 HydrophobicContact CD2-CE1 3.3Å; L348-F388 HydrophobicContact CD2-CG 4.15Å; L348-F388 HydrophobicContact CD2-CZ 3.91Å; L348-F388 HydrophobicContact CG-CD1 4.11Å; L348-F388 HydrophobicContact CG-CE1 4.41Å; L348-V395 HydrophobicContact CD1-CG1 4.1Å; L348-L399 HydrophobicContact CD1-CD1 4.25Å; L348-L399 HydrophobicContact CD1-CD2 3.93Å; L348-L399 HydrophobicContact CD1-CG 4.28Å
349	D	78.1	Confident	75	Confident	80 Å²	80	61.2 Å²	61.2	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-31.5	-178.8	64.3	-58.1	0	0	0	113.2	Y49 R53 S347 L351 Y352 N353	Y49-D349 VanDerWaalsContact CE2-OD2 3.31Å; Y49-D349 WeakPolarHBondContact CE2-OD2 3.46Å; Y49-D349 VanDerWaalsContact CZ-OD2 3.27Å; Y49-D349 PolarHBondContact OH-OD1 3.41Å; Y49-D349 PolarHBondContact OH-OD2 3.46Å; R53-D349 IonicContact NH1-OD1 2.72Å; S347-D349 WeakPolarHBondContact CB-OD1 3.05Å; S347-D349 PolarHBondContact O-N 3.49Å; S347-D349 PolarHBondContact OG-OD1 3.31Å; D349-L351 VanDerWaalsContact C-N 3.34Å; D349-Y352 CarbonylContact O-C 3.58Å; D349-Y352 PolarHBondContact O-N 2.96Å; D349-N353 PolarHBondContact O-N 3.14Å
350	M	74.7	Confident	73.8	Confident	30 Å²	30	60.4 Å²	60.4	15%	0.148	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-40.4	172.9	-178.1	-177.8	-71.4	0	0	110.8	F44 W345 A346 S347 Y352	F44-M350 HydrophobicContact CE1-CE 3.84Å; F44-M350 HydrophobicContact CZ-CE 3.72Å; W345-M350 HydrophobicContact CH2-SD 3.99Å; W345-M350 HydrophobicContact CZ3-SD 4.01Å; A346-M350 HydrophobicContact CB-CB 4.18Å; A346-M350 HydrophobicContact CB-CG 4.13Å; A346-M350 HydrophobicContact CB-SD 3.55Å; A346-M350 VanDerWaalsContact CB-SD 3.55Å; S347-M350 PolarHBondContact O-N 2.98Å; S347-M350 VanDerWaalsContact O-N 3.12Å; M350-Y352 VanDerWaalsContact C-N 3.34Å
351	L	72.8	Confident	72.1	Confident	34 Å²	34	65.2 Å²	65.2	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-72.6	-29.6	178.8	-61.9	164.8	0	0	0	112.1	L344 A346 S347 L348 D349 S356 L381 F388	L344-L351 HydrophobicContact CB-CD1 3.93Å; L344-L351 HydrophobicContact CD1-CD1 4.01Å; L344-L351 HydrophobicContact CD2-CD1 4.34Å; L344-L351 HydrophobicContact CG-CD1 4.32Å; A346-L351 HydrophobicContact CB-CD1 4.21Å; A346-L351 HydrophobicContact CB-CD2 3.9Å; A346-L351 HydrophobicContact CB-CG 3.86Å; S347-L351 WeakPolarHBondContact O-CG 3.45Å; S347-L351 PolarHBondContact O-N 2.62Å; S347-L351 VanDerWaalsContact O-N 3.13Å; L348-L351 PolarHBondContact O-N 2.81Å; D349-L351 VanDerWaalsContact C-N 3.34Å; L351-S356 PolarHBondContact O-OG 2.03Å; L351-L381 HydrophobicContact CB-CD1 4.37Å; L351-L381 HydrophobicContact CB-CD2 3.65Å; L351-L381 HydrophobicContact CB-CG 4.4Å; L351-L381 HydrophobicContact CD1-CD2 3.56Å; L351-L381 HydrophobicContact CD2-CD2 4.28Å; L351-L381 HydrophobicContact CG-CD2 4Å; L351-F388 HydrophobicContact CD1-CD1 4.47Å
352	Y	68.6	Low	70.4	Confident	90 Å²	90	70.1 Å²	70.1	35%	0.353	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	25.9	177.5	-76.4	-62.8	0	0	0	114.5	L348 D349 M350 Y357 S379 L381	L348-Y352 HydrophobicContact CD2-CE2 4.46Å; L348-Y352 WeakPolarHBondContact O-CB 3.22Å; L348-Y352 WeakPolarHBondContact O-CD2 3.25Å; L348-Y352 PolarHBondContact O-N 3Å; D349-Y352 CarbonylContact O-C 3.58Å; D349-Y352 PolarHBondContact O-N 2.96Å; M350-Y352 VanDerWaalsContact C-N 3.34Å; Y352-Y357 HydrophobicContact CD1-CE2 4.21Å; Y352-S379 WeakPolarHBondContact CE1-OG 3.46Å; Y352-S379 PolarHBondContact OH-OG 3.18Å; Y352-L381 HydrophobicContact CD2-CD1 3.92Å; Y352-L381 HydrophobicContact CE1-CD1 4.25Å; Y352-L381 HydrophobicContact CE1-CG 4.5Å; Y352-L381 HydrophobicContact CE2-CD1 3.16Å; Y352-L381 HydrophobicContact CE2-CG 4.21Å; Y352-L381 WeakPolarHBondContact OH-CD1 3.11Å
353	N	63	Low	68.3	Low	77 Å²	77	77.1 Å²	77.1	41%	0.412	34%	0.344	S	S	.	.			trans	-53.6	151.7	175.8	74.9	42.3	0	0	0	111.3	D349 T355 S356	D349-N353 PolarHBondContact O-N 3.14Å; N353-T355 PolarHBondContact O-N 3.07Å; N353-T355 WeakPolarHBondContact OD1-CA 3.22Å; N353-T355 WeakPolarHBondContact OD1-CB 3.42Å; N353-T355 PolarHBondContact OD1-N 3.09Å; N353-T355 PolarHBondContact OD1-OG1 3.06Å; N353-S356 WeakPolarHBondContact O-CA 3.4Å; N353-S356 WeakPolarHBondContact O-CB 3.49Å; N353-S356 PolarHBondContact O-N 3.3Å; N353-S356 PolarHBondContact O-OG 3.23Å; N353-S356 PolarHBondContact OD1-N 3.15Å; N353-S356 VanDerWaalsContact OD1-N 3.11Å; N353-S356 PolarHBondContact OD1-OG 2.54Å
354	F	54.2	Low	66.3	Low	150 Å²	150	80.6 Å²	80.6	66%	0.658	37%	0.367	S	S	*	.	H	α-helix	trans	-55.7	-26.2	-172.9	-172.7	-101.4	0	0	0	113.2	Y357	F354-Y357 PolarHBondContact O-N 3.06Å
355	T	57.8	Low	64.4	Low	79 Å²	79	83 Å²	83	49%	0.485	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-41	174.7	-37.4	0	0	0	0	111.2	N353 Y357 R358 V359	N353-T355 PolarHBondContact O-N 3.07Å; N353-T355 WeakPolarHBondContact OD1-CA 3.22Å; N353-T355 WeakPolarHBondContact OD1-CB 3.42Å; N353-T355 PolarHBondContact OD1-N 3.09Å; N353-T355 PolarHBondContact OD1-OG1 3.06Å; T355-Y357 PolarHBondContact O-N 3.3Å; T355-R358 PolarHBondContact O-N 2.95Å; T355-R358 VanDerWaalsContact O-N 3.08Å; T355-V359 VanDerWaalsContact O-CG2 3.27Å; T355-V359 WeakPolarHBondContact O-CG2 3.48Å
356	S	56.8	Low	62.8	Low	16 Å²	16	85.5 Å²	85.5	11%	0.112	40%	0.395	C	S	.	.	H	α-helix	trans	-53.6	-41.6	174.5	-47.4	0	0	0	0	111.8	L351 N353 R358 V359	L351-S356 PolarHBondContact O-OG 2.03Å; N353-S356 WeakPolarHBondContact O-CA 3.4Å; N353-S356 WeakPolarHBondContact O-CB 3.49Å; N353-S356 PolarHBondContact O-N 3.3Å; N353-S356 PolarHBondContact O-OG 3.23Å; N353-S356 PolarHBondContact OD1-N 3.15Å; N353-S356 VanDerWaalsContact OD1-N 3.11Å; N353-S356 PolarHBondContact OD1-OG 2.54Å; S356-R358 VanDerWaalsContact C-N 3.34Å; S356-R358 PolarHBondContact O-N 3.41Å; S356-V359 PolarHBondContact O-N 3.45Å
357	Y	56.9	Low	61.4	Low	136 Å²	136	88.9 Å²	88.9	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-64.7	-34.4	179.3	-85.9	-84.2	0	0	0	113.5	Y352 F354 T355 V359 L360	Y352-Y357 HydrophobicContact CD1-CE2 4.21Å; F354-Y357 PolarHBondContact O-N 3.06Å; T355-Y357 PolarHBondContact O-N 3.3Å; Y357-V359 PolarHBondContact O-N 2.99Å; Y357-L360 HydrophobicContact CD1-CD1 3.56Å; Y357-L360 HydrophobicContact CE1-CD1 4.03Å; Y357-L360 HydrophobicContact CG-CD1 4.21Å; Y357-L360 WeakPolarHBondContact O-CB 3.49Å; Y357-L360 PolarHBondContact O-N 2.8Å
358	R	54.5	Low	60	Low	155 Å²	155	93.5 Å²	93.5	59%	0.585	44%	0.435	S	S	*	.	H	α-helix	trans	-68.9	-23.3	178.9	-69.6	-171.5	174.3	-151.1	0.3	113	T355 S356	T355-R358 PolarHBondContact O-N 2.95Å; T355-R358 VanDerWaalsContact O-N 3.08Å; S356-R358 VanDerWaalsContact C-N 3.34Å; S356-R358 PolarHBondContact O-N 3.41Å
359	V	52.2	Low	58.7	Low	96 Å²	96	97 Å²	97	58%	0.582	46%	0.46	S	S	*	.	H	α-helix	trans	-88	-12	-179.8	-146.5	0	0	0	0	112.3	T355 S356 Y357 K361 Q378	T355-V359 VanDerWaalsContact O-CG2 3.27Å; T355-V359 WeakPolarHBondContact O-CG2 3.48Å; S356-V359 PolarHBondContact O-N 3.45Å; Y357-V359 PolarHBondContact O-N 2.99Å; V359-K361 PolarHBondContact O-N 3.34Å; V359-Q378 PolarHBondContact O-OE1 3.41Å
360	L	54.4	Low	57.8	Low	33 Å²	33	100.8 Å²	100.8	17%	0.173	48%	0.48	C	S	.	.			trans	-65.1	97.3	179.2	-59.6	178.6	0	0	0	110.7	Y357 Q378	Y357-L360 HydrophobicContact CD1-CD1 3.56Å; Y357-L360 HydrophobicContact CE1-CD1 4.03Å; Y357-L360 HydrophobicContact CG-CD1 4.21Å; Y357-L360 WeakPolarHBondContact O-CB 3.49Å; Y357-L360 PolarHBondContact O-N 2.8Å; L360-Q378 HydrophobicContact CD2-CB 4.03Å; L360-Q378 WeakPolarHBondContact CD2-O 3.39Å
361	K	50.5	Low	56.7	Low	126 Å²	126	101.8 Å²	101.8	55%	0.548	49%	0.488	S	S	.	.			trans	-88.3	117.8	167.2	-50.6	-179.4	175.7	176.7	0	109	V359 R363 Q378	V359-K361 PolarHBondContact O-N 3.34Å; K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 3.03Å; K361-Q378 WeakPolarHBondContact O-CG 3.32Å; K361-Q378 PolarHBondContact O-NE2 3.22Å; K361-Q378 PolarHBondContact O-OE1 2.8Å
362	W	54.1	Low	55.6	Low	190 Å²	190	105.4 Å²	105.4	72%	0.72	51%	0.507	S	S	*	.			trans	-75.9	82.1	173.9	-60.3	88.5	0	0	0	109.3	P376	W362-P376 WeakPolarHBondContact CH2-O 3.5Å; W362-P376 WeakPolarHBondContact CZ3-O 3.45Å
363	R	50	Low	54.8	Low	177 Å²	177	103 Å²	103	67%	0.668	50%	0.497	S	S	*	.			trans	-132.4	129.6	175.2	-67.8	-171.1	-178.6	174.8	-0.5	110.3	K361	K361-R363 VanDerWaalsContact C-N 3.28Å; K361-R363 PolarHBondContact O-N 3.03Å
364	P	54.4	Low	54.1	Low	75 Å²	75	102.5 Å²	102.5	49%	0.487	50%	0.504	S	S	.	.			trans	-61.1	138.7	172.2	24.9	-31	0	0	0	110	L372 A374	P364-L372 HydrophobicContact CB-CD2 3.75Å; P364-L372 HydrophobicContact CB-CG 4.3Å; P364-L372 HydrophobicContact CG-CD2 3.81Å; P364-A374 HydrophobicContact CB-CB 4.34Å
365	V	54.8	Low	54	Low	60 Å²	60	96.1 Å²	96.1	36%	0.364	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.2	173.9	-178.9	0	0	0	0	107.1	L367 Y373	V365-L367 HydrophobicContact CG1-CD2 4.27Å; V365-L367 PolarHBondContact O-N 2.89Å; V365-Y373 PolarHBondContact N-O 3.11Å; V365-Y373 CarbonylContact O-C 3.5Å; V365-Y373 WeakPolarHBondContact O-CA 3.44Å; V365-Y373 PolarHBondContact O-N 3.35Å; V365-Y373 VanDerWaalsContact O-O 3.05Å
366	K	55.7	Low	53.5	Low	149 Å²	149	96.5 Å²	96.5	65%	0.648	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.2	170.2	-76.6	-171.7	176.3	-170.8	0	107.9	L372	K366-L372 HydrophobicContact CG-CD1 4.03Å; K366-L372 HydrophobicContact CG-CG 4.3Å
367	L	57.7	Low	53.3	Low	71 Å²	71	98.2 Å²	98.2	37%	0.372	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-27.5	174.9	-70.1	-179	0	0	0	111.8	I337 L338 V365 T371 Y373	I337-L367 HydrophobicContact CD1-CD1 3.78Å; L338-L367 HydrophobicContact CD2-CD2 4.12Å; V365-L367 HydrophobicContact CG1-CD2 4.27Å; V365-L367 PolarHBondContact O-N 2.89Å; L367-T371 PolarHBondContact N-O 2.94Å; L367-T371 VanDerWaalsContact N-O 3.11Å; L367-Y373 HydrophobicContact CD1-CD1 3.97Å; L367-Y373 HydrophobicContact CD1-CD2 3.84Å; L367-Y373 HydrophobicContact CD1-CG 3.44Å; L367-Y373 VanDerWaalsContact CD1-CG 3.44Å; L367-Y373 VanDerWaalsContact CG-CB 3.49Å; L367-Y373 HydrophobicContact CG-CG 4.12Å
368	Q	55.8	Low	53.2	Low	100 Å²	100	95.5 Å²	95.5	47%	0.467	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.2	174.2	-66.3	-175.6	10	0	0	109.2	N370 T371	Q368-N370 PolarHBondContact O-N 3.14Å; Q368-T371 PolarHBondContact O-N 3.49Å
369	P	56	Low	53.6	Low	113 Å²	113	88.4 Å²	88.4	73%	0.734	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-35.3	-176.3	-29.3	35.7	0	0	0	114.2
370	N	58.4	Low	54.4	Low	159 Å²	159	89.2 Å²	89.2	85%	0.85	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	5.4	-178	-64.4	-12.4	0	0	0	114.1	Q368	Q368-N370 PolarHBondContact O-N 3.14Å
371	T	51.7	Low	55.7	Low	52 Å²	52	88 Å²	88	32%	0.319	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	98.2	-178.8	-49.9	0	0	0	0	109.3	L367 Q368 Y373	L367-T371 PolarHBondContact N-O 2.94Å; L367-T371 VanDerWaalsContact N-O 3.11Å; Q368-T371 PolarHBondContact O-N 3.49Å; T371-Y373 PolarHBondContact O-N 2.98Å
372	L	49.6	Very low	57.4	Low	109 Å²	109	82.4 Å²	82.4	57%	0.571	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	111.9	164.1	-98.7	82.6	0	0	0	108.3	P364 K366 A374	P364-L372 HydrophobicContact CB-CD2 3.75Å; P364-L372 HydrophobicContact CB-CG 4.3Å; P364-L372 HydrophobicContact CG-CD2 3.81Å; K366-L372 HydrophobicContact CG-CD1 4.03Å; K366-L372 HydrophobicContact CG-CG 4.3Å; L372-A374 PolarHBondContact O-N 3.45Å
373	Y	53	Low	58.8	Low	41 Å²	41	75.6 Å²	75.6	16%	0.161	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	97.2	163.5	-168.1	-105	0	0	0	107.6	I337 L338 V365 L367 T371 A375	I337-Y373 HydrophobicContact CD1-CE1 4.24Å; I337-Y373 HydrophobicContact CD1-CE2 4.29Å; L338-Y373 HydrophobicContact CD1-CE1 4.18Å; L338-Y373 HydrophobicContact CD2-CD1 4.19Å; L338-Y373 HydrophobicContact CD2-CE1 4.31Å; V365-Y373 PolarHBondContact N-O 3.11Å; V365-Y373 CarbonylContact O-C 3.5Å; V365-Y373 WeakPolarHBondContact O-CA 3.44Å; V365-Y373 PolarHBondContact O-N 3.35Å; V365-Y373 VanDerWaalsContact O-O 3.05Å; L367-Y373 HydrophobicContact CD1-CD1 3.97Å; L367-Y373 HydrophobicContact CD1-CD2 3.84Å; L367-Y373 HydrophobicContact CD1-CG 3.44Å; L367-Y373 VanDerWaalsContact CD1-CG 3.44Å; L367-Y373 VanDerWaalsContact CG-CB 3.49Å; L367-Y373 HydrophobicContact CG-CG 4.12Å; T371-Y373 PolarHBondContact O-N 2.98Å; Y373-A375 HydrophobicContact CD1-CB 3.78Å; Y373-A375 HydrophobicContact CE1-CB 3.6Å; Y373-A375 PolarHBondContact O-N 3.5Å
374	A	48.4	Very low	60.8	Low	66 Å²	66	68.2 Å²	68.2	55%	0.545	38%	0.378	S	S	.	.			trans	-72.9	83.8	162	0	0	0	0	0	106.9	P364 L372 P376	P364-A374 HydrophobicContact CB-CB 4.34Å; L372-A374 PolarHBondContact O-N 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.12Å
375	A	50.7	Low	62.6	Low	16 Å²	16	64.8 Å²	64.8	13%	0.132	36%	0.356	C	S	.	.			trans	-55.4	114.6	161.7	0	0	0	0	0	105.4	L338 Y373 H377	L338-A375 HydrophobicContact CD1-CB 3.68Å; Y373-A375 HydrophobicContact CD1-CB 3.78Å; Y373-A375 HydrophobicContact CE1-CB 3.6Å; Y373-A375 PolarHBondContact O-N 3.5Å; A375-H377 PolarHBondContact O-N 3.47Å
376	P	47.8	Very low	64.6	Low	86 Å²	86	61.9 Å²	61.9	56%	0.558	34%	0.339	S	S	*	.	S	Bend	trans	-65.6	4.3	-175.3	-19.2	32.5	0	0	0	112.5	W362 A374	W362-P376 WeakPolarHBondContact CH2-O 3.5Å; W362-P376 WeakPolarHBondContact CZ3-O 3.45Å; A374-P376 WeakPolarHBondContact O-CD 3.12Å
377	H	52.1	Low	66.6	Low	53 Å²	53	54.8 Å²	54.8	25%	0.245	31%	0.308	C	S	.	.			trans	-158.5	137.3	174	51.2	76.8	0	0	0	110	R340 A375 S379 D383	R340-H377 PolarHBondContact NH1-CE1 2.56Å; R340-H377 PolarHBondContact NH1-ND1 2.84Å; A375-H377 PolarHBondContact O-N 3.47Å; H377-S379 WeakPolarHBondContact ND1-CB 3.4Å; H377-S379 PolarHBondContact ND1-N 2.58Å; H377-S379 PolarHBondContact O-N 2.6Å; H377-D383 IonicContact CE1-OD1 2.64Å; H377-D383 PolarHBondContact CE1-OD1 3.41Å; H377-D383 IonicContact ND1-OD1 3.35Å; H377-D383 IonicContact NE2-OD1 2.76Å; H377-D383 PolarHBondContact NE2-OD1 3.44Å; H377-D383 IonicContact NE2-OD2 3.74Å
378	Q	54.6	Low	68.4	Low	78 Å²	78	52.1 Å²	52.1	36%	0.364	29%	0.293	S	S	.	.			trans	-74.6	31.1	155.3	-79.1	-170.6	-1.8	0	0	111.6	V359 L360 K361 L380	V359-Q378 PolarHBondContact O-OE1 3.41Å; L360-Q378 HydrophobicContact CD2-CB 4.03Å; L360-Q378 WeakPolarHBondContact CD2-O 3.39Å; K361-Q378 WeakPolarHBondContact O-CG 3.32Å; K361-Q378 PolarHBondContact O-NE2 3.22Å; K361-Q378 PolarHBondContact O-OE1 2.8Å; Q378-L380 PolarHBondContact O-N 3.48Å
379	S	62.8	Low	70.3	Confident	7 Å²	7	47.9 Å²	47.9	5%	0.049	27%	0.273	C	S	.	.			trans	-57.4	133.5	174.8	-168.2	0	0	0	0	108.3	R340 Y352 H377 L381	R340-S379 WeakPolarHBondContact CD-O 3.38Å; R340-S379 PolarHBondContact NH1-O 3.35Å; Y352-S379 WeakPolarHBondContact CE1-OG 3.46Å; Y352-S379 PolarHBondContact OH-OG 3.18Å; H377-S379 WeakPolarHBondContact ND1-CB 3.4Å; H377-S379 PolarHBondContact ND1-N 2.58Å; H377-S379 PolarHBondContact O-N 2.6Å; S379-L381 PolarHBondContact O-N 3.4Å; S379-L381 VanDerWaalsContact O-N 3.11Å; S379-L381 PolarHBondContact OG-N 2.92Å
380	L	69.1	Low	72.2	Confident	113 Å²	113	46 Å²	46	59%	0.592	25%	0.252	S	S	*	.	S	Bend	trans	-59.7	-15.3	168.9	-65.4	170	0	0	0	111.5	Q378	Q378-L380 PolarHBondContact O-N 3.48Å
381	L	81.8	Confident	73.9	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.042	21%	0.213	C	C	.	.	S	Bend	trans	-89	134.3	178.7	-55.2	-165.9	0	0	0	111.9	R340 L344 L348 L351 Y352 S379 F388	R340-L381 PolarHBondContact NH1-O 3.14Å; L344-L381 HydrophobicContact CD1-CD2 3.81Å; L344-L381 HydrophobicContact CD2-CD2 4.27Å; L348-L381 HydrophobicContact CD2-CD1 4.06Å; L351-L381 HydrophobicContact CB-CD1 4.37Å; L351-L381 HydrophobicContact CB-CD2 3.65Å; L351-L381 HydrophobicContact CB-CG 4.4Å; L351-L381 HydrophobicContact CD1-CD2 3.56Å; L351-L381 HydrophobicContact CD2-CD2 4.28Å; L351-L381 HydrophobicContact CG-CD2 4Å; Y352-L381 HydrophobicContact CD2-CD1 3.92Å; Y352-L381 HydrophobicContact CE1-CD1 4.25Å; Y352-L381 HydrophobicContact CE1-CG 4.5Å; Y352-L381 HydrophobicContact CE2-CD1 3.16Å; Y352-L381 HydrophobicContact CE2-CG 4.21Å; Y352-L381 WeakPolarHBondContact OH-CD1 3.11Å; S379-L381 PolarHBondContact O-N 3.4Å; S379-L381 VanDerWaalsContact O-N 3.11Å; S379-L381 PolarHBondContact OG-N 2.92Å; L381-F388 HydrophobicContact CD1-CE1 4.17Å
382	S	85.9	Confident	76	Confident	8 Å²	8	38.4 Å²	38.4	6%	0.056	21%	0.211	C	C	.	.			trans	-67.5	132.5	173.1	-178.3	0	0	0	0	111.8	D336 V384 A385	D336-S382 VanDerWaalsContact CB-OG 3.29Å; D336-S382 WeakPolarHBondContact CB-OG 3.4Å; D336-S382 VanDerWaalsContact OD2-CA 3.29Å; D336-S382 WeakPolarHBondContact OD2-CA 3.49Å; D336-S382 VanDerWaalsContact OD2-CB 3.22Å; D336-S382 WeakPolarHBondContact OD2-CB 3.29Å; D336-S382 PolarHBondContact OD2-OG 2.8Å; S382-V384 PolarHBondContact O-N 3.5Å; S382-V384 WeakPolarHBondContact OG-CG2 3.45Å; S382-V384 PolarHBondContact OG-N 3.13Å; S382-A385 WeakPolarHBondContact O-CB 3.39Å; S382-A385 PolarHBondContact O-N 3.29Å; S382-A385 VanDerWaalsContact O-N 3.1Å; S382-A385 PolarHBondContact OG-N 3.41Å
383	D	85.3	Confident	78	Confident	46 Å²	46	34.5 Å²	34.5	25%	0.246	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.5	173.1	-53.6	30.8	0	0	0	111.7	R340 H377 F415	R340-D383 IonicContact CZ-OD1 3.31Å; R340-D383 IonicContact NH1-OD1 3.44Å; R340-D383 PolarHBondContact NH1-OD1 2.83Å; R340-D383 IonicContact NH2-OD1 3.01Å; R340-D383 PolarHBondContact NH2-OD1 3.07Å; H377-D383 IonicContact CE1-OD1 2.64Å; H377-D383 PolarHBondContact CE1-OD1 3.41Å; H377-D383 IonicContact ND1-OD1 3.35Å; H377-D383 IonicContact NE2-OD1 2.76Å; H377-D383 PolarHBondContact NE2-OD1 3.44Å; H377-D383 IonicContact NE2-OD2 3.74Å; D383-F415 HydrophobicContact CB-CE1 3.88Å; D383-F415 HydrophobicContact CB-CZ 4.21Å
384	V	90.5	Very high	79.9	Confident	22 Å²	22	34.1 Å²	34.1	13%	0.133	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	35.3	177.4	-66.7	0	0	0	0	110.9	D336 S382 F415	D336-V384 HydrophobicContact CB-CG2 3.86Å; S382-V384 PolarHBondContact O-N 3.5Å; S382-V384 WeakPolarHBondContact OG-CG2 3.45Å; S382-V384 PolarHBondContact OG-N 3.13Å; V384-F415 HydrophobicContact CG1-CD1 3.92Å; V384-F415 HydrophobicContact CG1-CD2 4.41Å; V384-F415 HydrophobicContact CG1-CE1 3.71Å; V384-F415 HydrophobicContact CG1-CE2 4.21Å; V384-F415 HydrophobicContact CG1-CG 4.27Å; V384-F415 HydrophobicContact CG1-CZ 3.85Å
385	A	93.5	Very high	82	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.025	18%	0.178	C	C	.	.			trans	-53.8	143.9	173.8	0	0	0	0	0	111.2	I249 N252 L344 S382 F388	I249-A385 WeakPolarHBondContact CD1-O 3.47Å; N252-A385 PolarHBondContact ND2-O 2.82Å; L344-A385 HydrophobicContact CD1-CB 4.07Å; S382-A385 WeakPolarHBondContact O-CB 3.39Å; S382-A385 PolarHBondContact O-N 3.29Å; S382-A385 VanDerWaalsContact O-N 3.1Å; S382-A385 PolarHBondContact OG-N 3.41Å; A385-F388 HydrophobicContact CB-CE1 4.43Å; A385-F388 HydrophobicContact CB-CE2 4.2Å; A385-F388 HydrophobicContact CB-CZ 3.75Å
386	I	97.1	Very high	84	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.			trans	-96.4	-43.8	179.8	-72.5	168.2	0	0	0	110.5	I248 I249 N252 L253 V256 R342 F343	I248-I386 CarbonylContact C-O 3.6Å; I248-I386 VanDerWaalsContact CA-O 3.32Å; I248-I386 WeakPolarHBondContact CA-O 3.34Å; I248-I386 HydrophobicContact CG2-CG2 4.3Å; I249-I386 PolarHBondContact N-O 3.16Å; N252-I386 HydrophobicContact CB-CG1 4.1Å; L253-I386 HydrophobicContact CB-CG1 4.4Å; L253-I386 HydrophobicContact CB-CG2 3.89Å; L253-I386 HydrophobicContact CD1-CD1 4.18Å; L253-I386 HydrophobicContact CD1-CG2 4.16Å; L253-I386 HydrophobicContact CG-CG2 4.44Å; V256-I386 HydrophobicContact CB-CD1 4.32Å; V256-I386 HydrophobicContact CG2-CD1 3.85Å; R342-I386 HydrophobicContact CB-CB 4.32Å; R342-I386 HydrophobicContact CB-CD1 3.9Å; R342-I386 HydrophobicContact CB-CG1 3.98Å; R342-I386 PolarHBondContact O-N 2.52Å; F343-I386 HydrophobicContact CD1-CB 4.47Å; F343-I386 HydrophobicContact CD1-CG2 3.96Å; F343-I386 HydrophobicContact CD2-CD1 4.37Å; F343-I386 HydrophobicContact CE1-CB 4.37Å; F343-I386 HydrophobicContact CE1-CG2 3.51Å; F343-I386 HydrophobicContact CE2-CD1 3.8Å; F343-I386 HydrophobicContact CE2-CG2 4.37Å; F343-I386 HydrophobicContact CZ-CB 4.43Å; F343-I386 HydrophobicContact CZ-CD1 4.04Å; F343-I386 HydrophobicContact CZ-CG2 3.74Å
387	S	97.2	Very high	86.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.5	-173.2	71.6	0	0	0	0	113.6	Y247 A285 R342 F343 L344	Y247-S387 VanDerWaalsContact O-CA 3.25Å; Y247-S387 WeakPolarHBondContact O-CA 3.42Å; A285-S387 WeakPolarHBondContact O-CB 3.2Å; A285-S387 PolarHBondContact O-OG 2.7Å; R342-S387 PolarHBondContact O-N 3.4Å; F343-S387 WeakPolarHBondContact CA-OG 3.36Å; F343-S387 WeakPolarHBondContact CD1-OG 3.31Å; L344-S387 WeakPolarHBondContact CB-O 3.2Å; L344-S387 PolarHBondContact N-O 3.46Å; L344-S387 VanDerWaalsContact N-O 3.13Å; L344-S387 PolarHBondContact N-OG 2.98Å
388	F	95.5	Very high	88.3	Confident	15 Å²	15	28.1 Å²	28.1	7%	0.066	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.1	165.5	-54.4	-88.7	0	0	0	108.9	T246 Y247 I249 L344 L348 L351 L381 A385 I391	T246-F388 CarbonylContact C-O 3.59Å; T246-F388 WeakPolarHBondContact CA-O 3.44Å; T246-F388 WeakPolarHBondContact CG2-O 3.47Å; Y247-F388 PolarHBondContact N-O 3.07Å; Y247-F388 PolarHBondContact O-N 3.41Å; I249-F388 HydrophobicContact CD1-CE2 3.99Å; L344-F388 HydrophobicContact CB-CD1 4.28Å; L344-F388 HydrophobicContact CD1-CD1 3.51Å; L344-F388 HydrophobicContact CD1-CE1 3.19Å; L344-F388 HydrophobicContact CD1-CZ 3.99Å; L348-F388 HydrophobicContact CD2-CD1 3.44Å; L348-F388 VanDerWaalsContact CD2-CD1 3.44Å; L348-F388 HydrophobicContact CD2-CE1 3.3Å; L348-F388 HydrophobicContact CD2-CG 4.15Å; L348-F388 HydrophobicContact CD2-CZ 3.91Å; L348-F388 HydrophobicContact CG-CD1 4.11Å; L348-F388 HydrophobicContact CG-CE1 4.41Å; L351-F388 HydrophobicContact CD1-CD1 4.47Å; L381-F388 HydrophobicContact CD1-CE1 4.17Å; A385-F388 HydrophobicContact CB-CE1 4.43Å; A385-F388 HydrophobicContact CB-CE2 4.2Å; A385-F388 HydrophobicContact CB-CZ 3.75Å; F388-I391 HydrophobicContact CB-CD1 3.73Å; F388-I391 HydrophobicContact CB-CG1 3.95Å
389	H	96	Very high	90.1	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.046	13%	0.133	C	C	.	.			trans	-118.7	172.4	-179.3	-170	-119.6	0	0	0	111.7	D243 D245 T246 G284 L344 A346 S347 I391	D243-H389 IonicContact OD2-NE2 3.92Å; D245-H389 IonicContact OD1-CD2 3.25Å; D245-H389 PolarHBondContact OD1-CD2 2.9Å; D245-H389 IonicContact OD1-CE1 3.08Å; D245-H389 IonicContact OD1-NE2 3.77Å; D245-H389 PolarHBondContact OD1-NE2 2.86Å; T246-H389 PolarHBondContact OG1-CD2 3.44Å; G284-H389 VanDerWaalsContact CA-CD2 3.46Å; G284-H389 WeakPolarHBondContact CA-CD2 3.06Å; G284-H389 VanDerWaalsContact CA-CE1 3.48Å; G284-H389 WeakPolarHBondContact CA-CE1 3.38Å; G284-H389 WeakPolarHBondContact CA-NE2 3.24Å; G284-H389 WeakPolarHBondContact O-CB 3.3Å; G284-H389 PolarHBondContact O-CD2 3.47Å; L344-H389 PolarHBondContact O-N 3.07Å; A346-H389 CarbonylContact C-O 3.54Å; A346-H389 PolarHBondContact O-N 3.15Å; S347-H389 WeakPolarHBondContact CA-O 3.08Å; S347-H389 PolarHBondContact N-O 3.12Å; H389-I391 WeakPolarHBondContact O-CD1 3.36Å; H389-I391 PolarHBondContact O-N 3.3Å
390	Y	95.3	Very high	91.5	Very high	73 Å²	73	24.8 Å²	24.8	29%	0.286	13%	0.131	S	C	.	.	S	Bend	trans	53.5	37	-172	-60.4	-70.2	0	0	0	113.2	Y46 R53 D245	Y46-Y390 WeakPolarHBondContact OH-CE1 3.47Å; Y46-Y390 VanDerWaalsContact OH-CZ 3.29Å; Y46-Y390 PolarHBondContact OH-OH 2.88Å; Y46-Y390 VanDerWaalsContact OH-OH 3.04Å; R53-Y390 PolarHBondContact NH1-O 2.81Å; R53-Y390 PolarHBondContact NH2-O 3.18Å; D245-Y390 PolarHBondContact O-N 3.06Å
391	I	94.7	Very high	92.6	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.036	12%	0.116	C	C	.	.			trans	-86.3	117.9	-179.7	-56	-54.8	0	0	0	108.9	D245 F388 H389 V395 L396 L399	D245-I391 PolarHBondContact O-N 3.38Å; F388-I391 HydrophobicContact CB-CD1 3.73Å; F388-I391 HydrophobicContact CB-CG1 3.95Å; H389-I391 WeakPolarHBondContact O-CD1 3.36Å; H389-I391 PolarHBondContact O-N 3.3Å; I391-V395 HydrophobicContact CD1-CG1 4.32Å; I391-V395 HydrophobicContact CG2-CB 3.94Å; I391-V395 HydrophobicContact CG2-CG1 3.9Å; I391-L396 HydrophobicContact CG2-CB 3.7Å; I391-L399 HydrophobicContact CD1-CD1 4.4Å; I391-L399 HydrophobicContact CG2-CD1 4.25Å
392	T	94.1	Very high	93.1	Very high	46 Å²	46	27.7 Å²	27.7	28%	0.282	14%	0.137	S	C	.	.			trans	-73.5	158.2	173.8	50	0	0	0	0	110.6	D394 V395 L396	T392-D394 VanDerWaalsContact C-N 3.27Å; T392-D394 PolarHBondContact O-N 2.75Å; T392-V395 PolarHBondContact O-N 3.29Å; T392-V395 VanDerWaalsContact OG1-CG2 3.31Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.44Å; T392-L396 WeakPolarHBondContact O-CB 3.21Å; T392-L396 PolarHBondContact O-N 3.48Å
393	P	93.2	Very high	93.3	Very high	26 Å²	26	30.1 Å²	30.1	17%	0.169	15%	0.149	C	C	.	.	H	α-helix	trans	-47.8	-46	176.5	-33.7	39.4	0	0	0	114.3	K175 H179 V395 L396 Y397	K175-P393 WeakPolarHBondContact O-CG 3.43Å; H179-P393 HydrophobicContact CB-CB 4.47Å; H179-P393 WeakPolarHBondContact CD2-CB 3.44Å; H179-P393 VanDerWaalsContact CD2-CG 3.47Å; H179-P393 WeakPolarHBondContact CD2-CG 3.37Å; P393-V395 PolarHBondContact O-N 2.76Å; P393-L396 WeakPolarHBondContact O-CB 3.4Å; P393-L396 PolarHBondContact O-N 3.08Å; P393-Y397 WeakPolarHBondContact O-CD2 3.28Å; P393-Y397 PolarHBondContact O-N 3.11Å
394	D	92.4	Very high	93.4	Very high	33 Å²	33	29.7 Å²	29.7	18%	0.176	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-45	179.3	-53.2	-80	0	0	0	112.2	S61 R65 T392 L396 Y397 M398	S61-D394 WeakPolarHBondContact CB-OD1 3.49Å; S61-D394 VanDerWaalsContact OG-CG 3.22Å; S61-D394 PolarHBondContact OG-OD1 3.32Å; R65-D394 WeakPolarHBondContact CD-OD1 3.33Å; T392-D394 VanDerWaalsContact C-N 3.27Å; T392-D394 PolarHBondContact O-N 2.75Å; D394-L396 VanDerWaalsContact C-N 3.32Å; D394-L396 PolarHBondContact O-N 2.92Å; D394-Y397 PolarHBondContact O-N 3.28Å; D394-M398 HydrophobicContact CB-CE 4.18Å; D394-M398 VanDerWaalsContact O-CG 3.32Å; D394-M398 WeakPolarHBondContact O-CG 3.46Å; D394-M398 PolarHBondContact O-N 3.01Å
395	V	92.4	Very high	93.2	Very high	38 Å²	38	32.3 Å²	32.3	23%	0.23	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-35.7	-179.6	177.9	0	0	0	0	110.7	L348 I391 T392 P393 Y397 M398 L399	L348-V395 HydrophobicContact CD1-CG1 4.1Å; I391-V395 HydrophobicContact CD1-CG1 4.32Å; I391-V395 HydrophobicContact CG2-CB 3.94Å; I391-V395 HydrophobicContact CG2-CG1 3.9Å; T392-V395 PolarHBondContact O-N 3.29Å; T392-V395 VanDerWaalsContact OG1-CG2 3.31Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.44Å; P393-V395 PolarHBondContact O-N 2.76Å; V395-Y397 VanDerWaalsContact C-N 3.33Å; V395-Y397 PolarHBondContact O-N 3.08Å; V395-M398 PolarHBondContact O-N 3.13Å; V395-L399 HydrophobicContact CG1-CD1 4.29Å; V395-L399 HydrophobicContact CG1-CG 4.37Å; V395-L399 WeakPolarHBondContact O-CB 3.44Å; V395-L399 WeakPolarHBondContact O-CG 3.16Å; V395-L399 PolarHBondContact O-N 3.27Å
396	L	93.5	Very high	92.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-43.6	175.1	169.8	162.8	0	0	0	111.1	H179 I180 T183 Y247 I391 T392 P393 D394 E400	H179-L396 HydrophobicContact CB-CD1 4Å; H179-L396 HydrophobicContact CB-CD2 4.01Å; I180-L396 HydrophobicContact CG1-CD1 3.74Å; T183-L396 HydrophobicContact CG2-CD2 3.28Å; T183-L396 HydrophobicContact CG2-CG 4.44Å; T183-L396 WeakPolarHBondContact OG1-CD2 3.24Å; Y247-L396 HydrophobicContact CD2-CB 4.35Å; Y247-L396 HydrophobicContact CD2-CG 3.94Å; Y247-L396 HydrophobicContact CE2-CG 4.31Å; Y247-L396 WeakPolarHBondContact CE2-O 3.15Å; I391-L396 HydrophobicContact CG2-CB 3.7Å; T392-L396 WeakPolarHBondContact O-CB 3.21Å; T392-L396 PolarHBondContact O-N 3.48Å; P393-L396 WeakPolarHBondContact O-CB 3.4Å; P393-L396 PolarHBondContact O-N 3.08Å; D394-L396 VanDerWaalsContact C-N 3.32Å; D394-L396 PolarHBondContact O-N 2.92Å; L396-E400 PolarHBondContact O-N 3.24Å
397	Y	94.6	Very high	92.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-35.4	174.9	-73.3	-66.4	0	0	0	113	R65 I68 V69 A73 H179 T183 P393 D394 V395 L399 E400 Y401	R65-Y397 HydrophobicContact CG-CD2 3.9Å; R65-Y397 HydrophobicContact CG-CE2 4.27Å; I68-Y397 HydrophobicContact CG2-CD1 3.79Å; I68-Y397 HydrophobicContact CG2-CG 4.14Å; V69-Y397 HydrophobicContact CG2-CD1 4.12Å; V69-Y397 HydrophobicContact CG2-CD2 4.16Å; V69-Y397 HydrophobicContact CG2-CE1 3.63Å; V69-Y397 HydrophobicContact CG2-CE2 3.68Å; V69-Y397 HydrophobicContact CG2-CG 4.38Å; A73-Y397 HydrophobicContact CB-CD1 4.41Å; A73-Y397 HydrophobicContact CB-CE1 3.83Å; H179-Y397 HydrophobicContact CB-CE2 3.98Å; H179-Y397 AromaticContact CG-CE2 3.8Å; H179-Y397 AromaticContact ND1-CE2 3.3Å; H179-Y397 VanDerWaalsContact ND1-CE2 3.3Å; H179-Y397 WeakPolarHBondContact ND1-CE2 3.47Å; H179-Y397 AromaticContact ND1-CZ 3.56Å; H179-Y397 PolarHBondContact ND1-OH 3.4Å; T183-Y397 HydrophobicContact CG2-CD1 3.59Å; T183-Y397 HydrophobicContact CG2-CE1 3.44Å; T183-Y397 VanDerWaalsContact CG2-CE1 3.44Å; P393-Y397 WeakPolarHBondContact O-CD2 3.28Å; P393-Y397 PolarHBondContact O-N 3.11Å; D394-Y397 PolarHBondContact O-N 3.28Å; V395-Y397 VanDerWaalsContact C-N 3.33Å; V395-Y397 PolarHBondContact O-N 3.08Å; Y397-L399 VanDerWaalsContact C-N 3.35Å; Y397-E400 WeakPolarHBondContact O-CB 3.19Å; Y397-E400 PolarHBondContact O-N 3.34Å; Y397-Y401 PolarHBondContact O-N 3.47Å
398	M	94.1	Very high	91.6	Very high	51 Å²	51	44.3 Å²	44.3	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-43.2	172.8	-69.9	176.6	-158.5	0	0	111.4	L64 D394 V395 Y401 F402	L64-M398 HydrophobicContact CD2-CE 4.25Å; L64-M398 HydrophobicContact CD2-CG 4.3Å; D394-M398 HydrophobicContact CB-CE 4.18Å; D394-M398 VanDerWaalsContact O-CG 3.32Å; D394-M398 WeakPolarHBondContact O-CG 3.46Å; D394-M398 PolarHBondContact O-N 3.01Å; V395-M398 PolarHBondContact O-N 3.13Å; M398-Y401 PolarHBondContact O-N 2.98Å; M398-F402 HydrophobicContact CB-CD2 4.33Å; M398-F402 HydrophobicContact CB-CE2 4.07Å; M398-F402 WeakPolarHBondContact O-CB 3.24Å; M398-F402 VanDerWaalsContact O-CD2 3.3Å; M398-F402 WeakPolarHBondContact O-CD2 3.12Å; M398-F402 WeakPolarHBondContact O-CG 3.46Å; M398-F402 PolarHBondContact O-N 3.43Å
399	L	93.6	Very high	90.9	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-47.1	174.1	-79.3	174	0	0	0	111.1	Y247 L348 I391 V395 Y397 Y401 F402 L403	Y247-L399 HydrophobicContact CD1-CB 4.38Å; Y247-L399 HydrophobicContact CD1-CD1 3.98Å; Y247-L399 HydrophobicContact CD2-CB 4.2Å; Y247-L399 HydrophobicContact CD2-CD1 4.14Å; Y247-L399 HydrophobicContact CE1-CB 4.16Å; Y247-L399 HydrophobicContact CE2-CB 3.98Å; Y247-L399 HydrophobicContact CG-CB 4.4Å; Y247-L399 HydrophobicContact CG-CD1 3.75Å; L348-L399 HydrophobicContact CD1-CD1 4.25Å; L348-L399 HydrophobicContact CD1-CD2 3.93Å; L348-L399 HydrophobicContact CD1-CG 4.28Å; I391-L399 HydrophobicContact CD1-CD1 4.4Å; I391-L399 HydrophobicContact CG2-CD1 4.25Å; V395-L399 HydrophobicContact CG1-CD1 4.29Å; V395-L399 HydrophobicContact CG1-CG 4.37Å; V395-L399 WeakPolarHBondContact O-CB 3.44Å; V395-L399 WeakPolarHBondContact O-CG 3.16Å; V395-L399 PolarHBondContact O-N 3.27Å; Y397-L399 VanDerWaalsContact C-N 3.35Å; L399-Y401 VanDerWaalsContact C-N 3.32Å; L399-Y401 PolarHBondContact O-N 2.82Å; L399-F402 PolarHBondContact O-N 3.07Å; L399-L403 HydrophobicContact CB-CD1 4.26Å; L399-L403 HydrophobicContact CD2-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 2.94Å; L399-L403 WeakPolarHBondContact O-CD1 3.45Å; L399-L403 WeakPolarHBondContact O-CG 3.43Å; L399-L403 PolarHBondContact O-N 2.8Å
400	E	92.8	Very high	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.2	-49.2	175.1	-173	72.6	-173.3	0	0	111.3	I72 T183 R186 R187 Y247 L396 Y397 Y404 H405	I72-E400 HydrophobicContact CG2-CG 4.41Å; T183-E400 HydrophobicContact CG2-CB 4.2Å; T183-E400 HydrophobicContact CG2-CG 4.15Å; R186-E400 IonicContact CZ-OE1 3.28Å; R186-E400 IonicContact NE-OE1 3.95Å; R186-E400 IonicContact NH2-OE1 3.07Å; R186-E400 PolarHBondContact NH2-OE1 3.47Å; R187-E400 IonicContact CZ-OE1 3.74Å; R187-E400 VanDerWaalsContact CZ-OE1 3.23Å; R187-E400 IonicContact CZ-OE2 3.73Å; R187-E400 VanDerWaalsContact NH1-CD 3.32Å; R187-E400 IonicContact NH1-OE1 2.73Å; R187-E400 PolarHBondContact NH1-OE1 2.77Å; R187-E400 IonicContact NH1-OE2 3.81Å; R187-E400 PolarHBondContact NH1-OE2 3.44Å; R187-E400 IonicContact NH2-OE1 2.81Å; R187-E400 PolarHBondContact NH2-OE1 2.55Å; R187-E400 IonicContact NH2-OE2 3.35Å; Y247-E400 WeakPolarHBondContact OH-CA 3.41Å; Y247-E400 PolarHBondContact OH-OE2 2.99Å; L396-E400 PolarHBondContact O-N 3.24Å; Y397-E400 WeakPolarHBondContact O-CB 3.19Å; Y397-E400 PolarHBondContact O-N 3.34Å; E400-Y404 WeakPolarHBondContact O-CB 3.19Å; E400-Y404 PolarHBondContact O-N 3.11Å; E400-Y404 VanDerWaalsContact O-N 3.1Å; E400-H405 PolarHBondContact O-CD2 2.89Å
401	Y	92	Very high	89.1	Confident	71 Å²	71	57.2 Å²	57.2	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-49.4	178.3	177.8	-115.6	0	0	0	112.5	I72 Y397 M398 L399 L403 H405 L406	I72-Y401 HydrophobicContact CD1-CD2 3.47Å; I72-Y401 VanDerWaalsContact CD1-CD2 3.47Å; I72-Y401 HydrophobicContact CD1-CE2 4.16Å; I72-Y401 HydrophobicContact CD1-CG 4.29Å; Y397-Y401 PolarHBondContact O-N 3.47Å; M398-Y401 PolarHBondContact O-N 2.98Å; L399-Y401 VanDerWaalsContact C-N 3.32Å; L399-Y401 PolarHBondContact O-N 2.82Å; Y401-L403 PolarHBondContact O-N 3.17Å; Y401-H405 HydrophobicContact CD2-CB 3.66Å; Y401-H405 HydrophobicContact CE2-CB 3.97Å; Y401-H405 CarbonylContact O-C 3.13Å; Y401-H405 WeakPolarHBondContact O-CA 3.25Å; Y401-H405 WeakPolarHBondContact O-CB 3.25Å; Y401-H405 PolarHBondContact O-N 2.93Å; Y401-L406 HydrophobicContact CD1-CB 4.35Å; Y401-L406 HydrophobicContact CE1-CB 3.95Å; Y401-L406 HydrophobicContact CE1-CD1 4.36Å; Y401-L406 HydrophobicContact CE1-CD2 4.33Å; Y401-L406 HydrophobicContact CE1-CG 4.44Å; Y401-L406 PolarHBondContact O-N 3.01Å
402	F	91.6	Very high	87.9	Confident	110 Å²	110	62.3 Å²	62.3	48%	0.482	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-32.3	-175.6	-65.4	-27.7	0	0	0	113.6	M398 L399 L406	M398-F402 HydrophobicContact CB-CD2 4.33Å; M398-F402 HydrophobicContact CB-CE2 4.07Å; M398-F402 WeakPolarHBondContact O-CB 3.24Å; M398-F402 VanDerWaalsContact O-CD2 3.3Å; M398-F402 WeakPolarHBondContact O-CD2 3.12Å; M398-F402 WeakPolarHBondContact O-CG 3.46Å; M398-F402 PolarHBondContact O-N 3.43Å; L399-F402 PolarHBondContact O-N 3.07Å; F402-L406 HydrophobicContact CD1-CB 4.26Å; F402-L406 HydrophobicContact CD1-CD2 3.54Å; F402-L406 HydrophobicContact CE1-CD2 3.88Å
403	L	90.1	Very high	86.5	Confident	60 Å²	60	65.1 Å²	65.1	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-82.9	-40.8	-179	-65.9	169.6	0	0	0	112.3	Y247 I249 L399 Y401 R407	Y247-L403 HydrophobicContact CE1-CD1 3.6Å; I249-L403 HydrophobicContact CD1-CD1 3.97Å; I249-L403 HydrophobicContact CD1-CD2 4.4Å; I249-L403 HydrophobicContact CG1-CD1 3.89Å; L399-L403 HydrophobicContact CB-CD1 4.26Å; L399-L403 HydrophobicContact CD2-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 2.94Å; L399-L403 WeakPolarHBondContact O-CD1 3.45Å; L399-L403 WeakPolarHBondContact O-CG 3.43Å; L399-L403 PolarHBondContact O-N 2.8Å; Y401-L403 PolarHBondContact O-N 3.17Å; L403-R407 PolarHBondContact O-NH2 3.24Å
404	Y	88	Confident	85.1	Confident	37 Å²	37	70.3 Å²	70.3	15%	0.145	38%	0.376	C	S	.	.	H	α-helix	trans	-108.5	-16.8	-168.2	-62.9	-82.7	0	0	0	114.5	R187 Y247 E251 E400	R187-Y404 VanDerWaalsContact CZ-CZ 3.49Å; Y247-Y404 WeakPolarHBondContact OH-CE2 3.49Å; E251-Y404 WeakPolarHBondContact OE2-CE1 3.44Å; E251-Y404 PolarHBondContact OE2-OH 3.02Å; E400-Y404 WeakPolarHBondContact O-CB 3.19Å; E400-Y404 PolarHBondContact O-N 3.11Å; E400-Y404 VanDerWaalsContact O-N 3.1Å
405	H	85	Confident	83.6	Confident	77 Å²	77	73.9 Å²	73.9	36%	0.356	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-50.1	-172.5	-59.6	-82.3	0	0	0	113.9	I72 E400 Y401 R407	I72-H405 WeakPolarHBondContact CG2-NE2 3.12Å; E400-H405 PolarHBondContact O-CD2 2.89Å; Y401-H405 HydrophobicContact CD2-CB 3.66Å; Y401-H405 HydrophobicContact CE2-CB 3.97Å; Y401-H405 CarbonylContact O-C 3.13Å; Y401-H405 WeakPolarHBondContact O-CA 3.25Å; Y401-H405 WeakPolarHBondContact O-CB 3.25Å; Y401-H405 PolarHBondContact O-N 2.93Å; H405-R407 PolarHBondContact O-N 3.3Å
406	L	87.7	Confident	81.4	Confident	78 Å²	78	77.6 Å²	77.6	41%	0.408	41%	0.407	S	S	.	.			trans	-68.7	123.9	179.7	-177.2	64.5	0	0	0	109.8	Y401 F402	Y401-L406 HydrophobicContact CD1-CB 4.35Å; Y401-L406 HydrophobicContact CE1-CB 3.95Å; Y401-L406 HydrophobicContact CE1-CD1 4.36Å; Y401-L406 HydrophobicContact CE1-CD2 4.33Å; Y401-L406 HydrophobicContact CE1-CG 4.44Å; Y401-L406 PolarHBondContact O-N 3.01Å; F402-L406 HydrophobicContact CD1-CB 4.26Å; F402-L406 HydrophobicContact CD1-CD2 3.54Å; F402-L406 HydrophobicContact CE1-CD2 3.88Å
407	R	82.9	Confident	79.3	Confident	100 Å²	100	84 Å²	84	38%	0.377	44%	0.437	S	S	.	.			trans	-135.4	125	176.4	-62.1	-65.4	176.1	143	-3.1	110.1	L403 H405 I409	L403-R407 PolarHBondContact O-NH2 3.24Å; H405-R407 PolarHBondContact O-N 3.3Å; R407-I409 PolarHBondContact O-N 3.41Å
408	P	84.3	Confident	76.8	Confident	77 Å²	77	87.6 Å²	87.6	50%	0.5	46%	0.456	S	S	.	.			trans	-69	129.4	167.6	27.7	-31.1	0	0	0	109.3	G410 L411	P408-G410 PolarHBondContact O-N 2.91Å; P408-L411 HydrophobicContact CB-CD1 4.15Å; P408-L411 HydrophobicContact CB-CG 4.31Å; P408-L411 HydrophobicContact CG-CB 4.03Å; P408-L411 HydrophobicContact CG-CD1 3.55Å; P408-L411 HydrophobicContact CG-CG 3.91Å; P408-L411 PolarHBondContact O-N 3.18Å
409	I	80.7	Confident	74	Confident	178 Å²	178	87.5 Å²	87.5	91%	0.913	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	129.6	-179.6	-61.8	173.9	0	0	0	109.1	R407	R407-I409 PolarHBondContact O-N 3.41Å
410	G	78.7	Confident	71.6	Confident	73 Å²	73	95.1 Å²	95.1	75%	0.753	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-4.9	176.9	0	0	0	0	0	115.8	P408	P408-G410 PolarHBondContact O-N 2.91Å
411	L	74.6	Confident	69.1	Low	117 Å²	117	101.8 Å²	101.8	61%	0.613	52%	0.523	S	S	*	.			trans	-99.3	121.7	172.1	-54.6	-171.1	0	0	0	111	P408	P408-L411 HydrophobicContact CB-CD1 4.15Å; P408-L411 HydrophobicContact CB-CG 4.31Å; P408-L411 HydrophobicContact CG-CB 4.03Å; P408-L411 HydrophobicContact CG-CD1 3.55Å; P408-L411 HydrophobicContact CG-CG 3.91Å; P408-L411 PolarHBondContact O-N 3.18Å
412	V	69.2	Low	66.7	Low	115 Å²	115	102.8 Å²	102.8	70%	0.697	53%	0.532	S	S	*	.			trans	-109.7	121.1	173	-174.8	0	0	0	0	108.7	N414	V412-N414 VanDerWaalsContact C-N 3.29Å; V412-N414 WeakPolarHBondContact CG1-OD1 3.34Å; V412-N414 PolarHBondContact O-N 3.41Å
413	N	66.3	Low	64.1	Low	105 Å²	105	100.7 Å²	100.7	56%	0.561	53%	0.53	S	S	*	.			trans	-83.5	72.5	178.5	-66.3	-7.6	0	0	0	110.2	F415	N413-F415 HydrophobicContact CB-CE2 4.39Å; N413-F415 PolarHBondContact O-N 3.42Å
414	N	63.7	Low	61.4	Low	134 Å²	134	104.5 Å²	104.5	72%	0.717	55%	0.551	S	S	*	*			trans	-84.7	85.7	166.6	-75.8	-4.4	0	0	0	108.2	V412 I416	V412-N414 VanDerWaalsContact C-N 3.29Å; V412-N414 WeakPolarHBondContact CG1-OD1 3.34Å; V412-N414 PolarHBondContact O-N 3.41Å; N414-I416 PolarHBondContact O-N 2.9Å; N414-I416 VanDerWaalsContact O-N 3.16Å
415	F	59.9	Low	58.6	Low	108 Å²	108	110.6 Å²	110.6	47%	0.474	58%	0.581	S	S	.	*			trans	-58.2	123.5	166.6	-72.9	-75.7	0	0	0	107.8	D383 V384 N413 Q417	D383-F415 HydrophobicContact CB-CE1 3.88Å; D383-F415 HydrophobicContact CB-CZ 4.21Å; V384-F415 HydrophobicContact CG1-CD1 3.92Å; V384-F415 HydrophobicContact CG1-CD2 4.41Å; V384-F415 HydrophobicContact CG1-CE1 3.71Å; V384-F415 HydrophobicContact CG1-CE2 4.21Å; V384-F415 HydrophobicContact CG1-CG 4.27Å; V384-F415 HydrophobicContact CG1-CZ 3.85Å; N413-F415 HydrophobicContact CB-CE2 4.39Å; N413-F415 PolarHBondContact O-N 3.42Å; F415-Q417 PolarHBondContact O-N 2.83Å
416	I	47	Very low	56	Low	117 Å²	117	119.2 Å²	119.2	60%	0.6	62%	0.621	S	S	*	*			trans	-55.4	108.3	175.6	-61.3	170.1	0	0	0	106.2	N414 L418	N414-I416 PolarHBondContact O-N 2.9Å; N414-I416 VanDerWaalsContact O-N 3.16Å; I416-L418 PolarHBondContact O-N 3.07Å
417	Q	47.8	Very low	54.4	Low	138 Å²	138	121.3 Å²	121.3	65%	0.645	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-55.9	116.5	166.9	-79	-178.6	-6.4	0	0	105.8	F415	F415-Q417 PolarHBondContact O-N 2.83Å
418	L	44.1	Very low	52.9	Low	78 Å²	78	122.4 Å²	122.4	41%	0.408	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-57.7	135.9	177.6	-74.3	165.3	0	0	0	108.2	I337 I416 K420 I422	I337-L418 HydrophobicContact CG2-CD1 3.71Å; I337-L418 HydrophobicContact CG2-CD2 3.9Å; I337-L418 HydrophobicContact CG2-CG 4.21Å; I416-L418 PolarHBondContact O-N 3.07Å; L418-K420 PolarHBondContact O-N 2.71Å; L418-I422 HydrophobicContact CD2-CD1 4.19Å
419	P	34.8	Very low	51.2	Low	49 Å²	49	124.9 Å²	124.9	32%	0.318	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-53.1	136.1	170.5	-18.5	28.1	0	0	0	109.1	E421 I422	P419-E421 WeakPolarHBondContact CB-OE2 3.36Å; P419-E421 PolarHBondContact O-N 3.14Å; P419-I422 HydrophobicContact CG-CD1 4.43Å; P419-I422 PolarHBondContact O-N 2.75Å; P419-I422 VanDerWaalsContact O-N 3.1Å
420	K	43.2	Very low	49.4	Very low	176 Å²	176	121.8 Å²	121.8	77%	0.765	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-55.8	-25.9	-176.8	-75.7	179.7	177.2	176	0	111.9	L418 I422 C423	L418-K420 PolarHBondContact O-N 2.71Å; K420-I422 VanDerWaalsContact C-N 3.25Å; K420-I422 PolarHBondContact O-N 3.13Å; K420-C423 PolarHBondContact O-N 3.19Å
421	E	40.8	Very low	47.6	Very low	140 Å²	140	124.9 Å²	124.9	65%	0.654	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-60.2	-28.6	180	-53.1	87.8	-117.5	0	0	113.7	P419	P419-E421 WeakPolarHBondContact CB-OE2 3.36Å; P419-E421 PolarHBondContact O-N 3.14Å
422	I	39.7	Very low	45.8	Very low	92 Å²	92	125.4 Å²	125.4	47%	0.472	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-77.7	-23.1	-178	-57.4	178.9	0	0	0	112.1	L418 P419 K420	L418-I422 HydrophobicContact CD2-CD1 4.19Å; P419-I422 HydrophobicContact CG-CD1 4.43Å; P419-I422 PolarHBondContact O-N 2.75Å; P419-I422 VanDerWaalsContact O-N 3.1Å; K420-I422 VanDerWaalsContact C-N 3.25Å; K420-I422 PolarHBondContact O-N 3.13Å
423	C	37.5	Very low	44.2	Very low	66 Å²	66	126.1 Å²	126.1	45%	0.446	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-84.5	-6.4	-177.1	-67	0	0	0	0	114.1	K420	K420-C423 PolarHBondContact O-N 3.19Å
424	N	34	Very low	42.4	Very low	139 Å²	139	127.8 Å²	127.8	74%	0.743	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-105	6.4	-176.3	-70.7	-15.3	0	0	0	113.8
425	E	29.7	Very low	40.7	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	63%	0.626	S	S	*	*			trans	-111.5	68.3	175.3	-69.7	-173.1	169.1	0	0	111.1
426	Q	29.6	Very low	38.9	Very low	258 Å²	258	129 Å²	129	100%	1.206	64%	0.639	S	S	*	*			trans	-178	0	157.2	-105	168.8	25.2	0	0	109.5

Retrieved 426 of 426 residues in 1089.6 ms (Link to these results)

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