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S-methyl-5'-thioadenosine phosphorylase

Catalyzes the phosphorolytic cleavage of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferred substrates.

AlphaFold DB , UniProt , Accession A0A5K4EY01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 295 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	97.1	Very high	79.1	Confident	65 Å²	65	25.1 Å²	25.1	32%	0.32	16%	0.159	S	C	.	.				0	140.2	0	178.3	-177.5	-67.6	0	0	108.2	P44 V46 L74 C76 T77	M1-P44 CarbonylContact C-O 3.55Å; M1-P44 VanDerWaalsContact CA-O 3.23Å; M1-P44 WeakPolarHBondContact CA-O 3.46Å; M1-P44 HydrophobicContact CB-CB 4.19Å; M1-P44 HydrophobicContact CE-CB 4.03Å; M1-P44 HydrophobicContact CG-CB 4.05Å; M1-P44 WeakPolarHBondContact CG-O 3.42Å; M1-V46 HydrophobicContact CG-CG2 4.11Å; M1-V46 HydrophobicContact SD-CG2 3.47Å; M1-V46 WeakPolarHBondContact SD-CG2 3.47Å; M1-L74 HydrophobicContact SD-CB 4.49Å; M1-L74 VanDerWaalsContact SD-O 3.35Å; M1-C76 WeakPolarHBondContact O-CA 3.38Å; M1-T77 PolarHBondContact O-N 3.2Å; M1-T77 PolarHBondContact O-OG1 3.4Å
2	V	98.4	Very high	77.9	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.3	-177.6	-176	0	0	0	0	110.4	V43 P44 C45 V46 H78 L80 V261 I264	V2-V43 HydrophobicContact CG2-CG1 4.31Å; V2-P44 PolarHBondContact N-O 3.17Å; V2-C45 CarbonylContact O-C 3.24Å; V2-C45 WeakPolarHBondContact O-CA 3.22Å; V2-V46 PolarHBondContact O-N 3.27Å; V2-H78 HydrophobicContact CG1-CB 4.22Å; V2-H78 HydrophobicContact CG2-CB 4.31Å; V2-L80 HydrophobicContact CG1-CD1 4.13Å; V2-L80 HydrophobicContact CG1-CG 4.02Å; V2-V261 HydrophobicContact CB-CG2 4.31Å; V2-V261 HydrophobicContact CG1-CG2 4.03Å; V2-I264 HydrophobicContact CG1-CD1 4.37Å; V2-I264 HydrophobicContact CG2-CB 4.3Å; V2-I264 HydrophobicContact CG2-CD1 4.11Å; V2-I264 HydrophobicContact CG2-CG2 3.82Å
3	G	97.9	Very high	76.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142	167.1	0	0	0	0	0	110.7	V46 H78 I79 L80	G3-V46 CarbonylContact C-O 3.46Å; G3-V46 WeakPolarHBondContact CA-O 3.26Å; G3-H78 PolarHBondContact N-O 3.39Å; G3-I79 CarbonylContact O-C 3.6Å; G3-I79 VanDerWaalsContact O-CA 3.31Å; G3-I79 WeakPolarHBondContact O-CA 3.47Å; G3-L80 PolarHBondContact O-N 2.77Å
4	I	96.7	Very high	75.8	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.7	173.7	-58.7	177.5	0	0	0	108	V46 V47 L48 L80 L257 V261	I4-V46 PolarHBondContact N-O 3.15Å; I4-V47 HydrophobicContact CB-CG2 4.18Å; I4-V47 HydrophobicContact CD1-CG2 4.41Å; I4-V47 WeakPolarHBondContact O-CA 3.41Å; I4-L48 PolarHBondContact O-N 3.18Å; I4-L80 CarbonylContact C-O 3.53Å; I4-L80 VanDerWaalsContact CA-O 3.28Å; I4-L80 WeakPolarHBondContact CA-O 3.5Å; I4-L257 HydrophobicContact CG2-CD1 3.97Å; I4-V261 HydrophobicContact CD1-CG2 4.15Å
5	I	95.9	Very high	76.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.8	174.7	-54.2	178.3	0	0	0	108.8	R50 I68 L71 I79 L80 A81 T82 E207	I5-R50 HydrophobicContact CG2-CB 3.87Å; I5-R50 HydrophobicContact CG2-CG 4.37Å; I5-R50 VanDerWaalsContact CG2-NH2 3.35Å; I5-R50 PolarHBondContact O-NH2 3.41Å; I5-I68 HydrophobicContact CD1-CD1 3.9Å; I5-L71 HydrophobicContact CD1-CD1 3.75Å; I5-L71 HydrophobicContact CG1-CD1 3.75Å; I5-I79 HydrophobicContact CD1-CG2 3.79Å; I5-I79 HydrophobicContact CG1-CG2 3.93Å; I5-L80 PolarHBondContact N-O 3.09Å; I5-A81 WeakPolarHBondContact O-CA 3.45Å; I5-T82 PolarHBondContact O-N 3.41Å; I5-E207 HydrophobicContact CD1-CG 4.11Å
6	G	83.4	Confident	76.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	156.8	-174	0	0	0	0	0	113.6	L48 R50	G6-L48 PolarHBondContact N-O 2.67Å; G6-R50 PolarHBondContact O-N 2.98Å
7	G	64.8	Low	77.8	Confident	11 Å²	11	44 Å²	44	11%	0.113	25%	0.249	C	C	.	.			trans	-85	-169.3	161.2	0	0	0	0	0	112.1	G9 F10	G7-G9 PolarHBondContact O-N 3.46Å; G7-F10 PolarHBondContact O-N 3.39Å
8	S	53	Low	78.6	Confident	48 Å²	48	48.8 Å²	48.8	34%	0.336	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	129.9	176.7	-44.4	0	0	0	0	111	H55 F246	S8-H55 PolarHBondContact OG-ND1 3.35Å; S8-F246 WeakPolarHBondContact O-CE1 3.35Å; S8-F246 WeakPolarHBondContact O-CZ 3.49Å
9	G	57.8	Low	79.4	Confident	36 Å²	36	49 Å²	49	37%	0.371	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	-5.5	-179.3	0	0	0	0	0	115.5	G7 D11	G7-G9 PolarHBondContact O-N 3.46Å; G9-D11 PolarHBondContact N-OD2 3.48Å
10	F	63.2	Low	80	Confident	9 Å²	9	53.9 Å²	53.9	4%	0.039	30%	0.3	C	S	.	.			trans	-94.1	4.6	161.3	-70.1	-80.2	0	0	0	113.2	G7 D12 L15 V47 T82 V253 R254 L257	G7-F10 PolarHBondContact O-N 3.39Å; F10-D12 PolarHBondContact O-N 3.32Å; F10-L15 HydrophobicContact CB-CD2 4.44Å; F10-L15 HydrophobicContact CD1-CD2 3.97Å; F10-V47 HydrophobicContact CB-CG1 4.39Å; F10-T82 HydrophobicContact CE2-CG2 3.66Å; F10-T82 HydrophobicContact CZ-CG2 3.68Å; F10-V253 HydrophobicContact CZ-CG1 4.03Å; F10-R254 HydrophobicContact CE1-CB 4.28Å; F10-L257 HydrophobicContact CD1-CD1 4.47Å; F10-L257 HydrophobicContact CE1-CD1 3.49Å; F10-L257 VanDerWaalsContact CE1-CD1 3.49Å; F10-L257 HydrophobicContact CZ-CD1 3.52Å
11	D	61.8	Low	80.6	Confident	104 Å²	104	56 Å²	56	56%	0.556	31%	0.314	S	S	*	.			trans	-79.5	4.1	175.5	-49.4	-62.3	0	0	0	112.9	G9 P13	G9-D11 PolarHBondContact N-OD2 3.48Å; D11-P13 WeakPolarHBondContact O-CD 3.48Å
12	D	64.6	Low	80.4	Confident	54 Å²	54	58.6 Å²	58.6	29%	0.289	32%	0.321	S	S	.	.			trans	-64.1	117.6	179.8	-176.7	-7.9	0	0	0	110.3	F10 D14 L15 R254	F10-D12 PolarHBondContact O-N 3.32Å; D12-D14 PolarHBondContact O-N 3.42Å; D12-D14 VanDerWaalsContact O-N 3.08Å; D12-D14 WeakPolarHBondContact OD1-CB 3.39Å; D12-D14 PolarHBondContact OD1-N 2.87Å; D12-L15 VanDerWaalsContact O-CB 3.29Å; D12-L15 WeakPolarHBondContact O-CB 3.24Å; D12-L15 PolarHBondContact O-N 3.24Å; D12-R254 IonicContact OD2-CZ 3.33Å; D12-R254 IonicContact OD2-NH1 3.96Å; D12-R254 PolarHBondContact OD2-NH1 3.39Å; D12-R254 IonicContact OD2-NH2 2.69Å; D12-R254 PolarHBondContact OD2-NH2 3.02Å
13	P	56.9	Low	80.2	Confident	102 Å²	102	64.4 Å²	64.4	66%	0.662	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-56.6	-24.5	178.1	23.4	-34	0	0	0	113.3	D11 L15	D11-P13 WeakPolarHBondContact O-CD 3.48Å; P13-L15 VanDerWaalsContact C-N 3.32Å; P13-L15 PolarHBondContact O-N 3.01Å
14	D	69.5	Low	80	Confident	134 Å²	134	66.1 Å²	66.1	72%	0.717	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-86.1	-0.7	-178.6	-65.8	-31.4	0	0	0	113.4	D12 L16	D12-D14 PolarHBondContact O-N 3.42Å; D12-D14 VanDerWaalsContact O-N 3.08Å; D12-D14 WeakPolarHBondContact OD1-CB 3.39Å; D12-D14 PolarHBondContact OD1-N 2.87Å; D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 2.79Å
15	L	81.8	Confident	80	Confident	13 Å²	13	70.6 Å²	70.6	7%	0.068	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-63.7	-35.6	176.1	-173.4	68.7	0	0	0	112.2	F10 D12 P13 V47 R254 L258	F10-L15 HydrophobicContact CB-CD2 4.44Å; F10-L15 HydrophobicContact CD1-CD2 3.97Å; D12-L15 VanDerWaalsContact O-CB 3.29Å; D12-L15 WeakPolarHBondContact O-CB 3.24Å; D12-L15 PolarHBondContact O-N 3.24Å; P13-L15 VanDerWaalsContact C-N 3.32Å; P13-L15 PolarHBondContact O-N 3.01Å; L15-V47 HydrophobicContact CD2-CG2 3.81Å; L15-R254 HydrophobicContact CD1-CG 3.76Å; L15-L258 HydrophobicContact CD1-CD1 4.32Å; L15-L258 HydrophobicContact CD1-CD2 3.73Å; L15-L258 HydrophobicContact CD1-CG 4.2Å
16	L	88.4	Confident	80.1	Confident	14 Å²	14	71 Å²	71	7%	0.073	40%	0.397	C	S	.	.	S	Bend	trans	-119.7	127.3	-173.3	-62.7	-179.6	0	0	0	111.3	D14 A19 T36 V40 C45 V47	D14-L16 VanDerWaalsContact C-N 3.28Å; D14-L16 PolarHBondContact O-N 2.79Å; L16-A19 HydrophobicContact CB-CB 4.22Å; L16-T36 HydrophobicContact CD1-CG2 3.87Å; L16-T36 WeakPolarHBondContact CD1-O 3.41Å; L16-V40 HydrophobicContact CD2-CG2 3.63Å; L16-C45 HydrophobicContact CD2-CB 3.83Å; L16-V47 HydrophobicContact CD1-CB 4.34Å; L16-V47 HydrophobicContact CD1-CG2 3.79Å; L16-V47 HydrophobicContact CD2-CG2 4.14Å; L16-V47 HydrophobicContact CG-CG2 4.13Å
17	K	92.2	Very high	80.8	Confident	155 Å²	155	74.8 Å²	74.8	67%	0.674	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.3	167.1	-66.9	-170.3	175.3	-172.4	0	110.1	A19 G38 F39	K17-A19 VanDerWaalsContact C-N 3.33Å; K17-A19 PolarHBondContact O-N 3.08Å; K17-G38 CarbonylContact O-C 3.58Å; K17-G38 WeakPolarHBondContact O-CA 3.44Å; K17-F39 HydrophobicContact CB-CB 4.42Å; K17-F39 PolarHBondContact N-O 2.91Å; K17-F39 PolarHBondContact O-N 3.34Å
18	N	92	Very high	82.4	Confident	130 Å²	130	75 Å²	75	70%	0.695	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.5	43	-179.4	-57	-26.5	0	0	0	113.2	K20 F39	N18-K20 PolarHBondContact O-N 2.69Å; N18-F39 HydrophobicContact CB-CD2 4.38Å
19	A	92.3	Very high	84.5	Confident	53 Å²	53	74.2 Å²	74.2	44%	0.438	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.8	-177.3	0	0	0	0	0	112.3	L16 K17 T36 E37	L16-A19 HydrophobicContact CB-CB 4.22Å; K17-A19 VanDerWaalsContact C-N 3.33Å; K17-A19 PolarHBondContact O-N 3.08Å; A19-T36 HydrophobicContact CB-CG2 3.94Å; A19-E37 CarbonylContact C-O 3.56Å; A19-E37 VanDerWaalsContact CA-O 3.22Å; A19-E37 WeakPolarHBondContact CA-O 3.4Å
20	K	92.9	Very high	86.3	Confident	146 Å²	146	77.3 Å²	77.3	64%	0.635	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.4	173.2	-68.3	-176.5	-178.4	-179.6	0	109.8	N18 E37	N18-K20 PolarHBondContact O-N 2.69Å; K20-E37 PolarHBondContact N-O 3.4Å; K20-E37 PolarHBondContact O-N 2.73Å
21	V	92.7	Very high	88	Confident	99 Å²	99	77.7 Å²	77.7	60%	0.6	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.6	178.2	-179.6	0	0	0	0	109.9	V34 L35	V21-V34 HydrophobicContact CG1-CB 3.58Å; V21-V34 HydrophobicContact CG1-CG1 3.98Å; V21-V34 HydrophobicContact CG1-CG2 3.66Å; V21-L35 CarbonylContact C-O 3.57Å
22	R	92	Very high	89.6	Confident	120 Å²	120	73.6 Å²	73.6	45%	0.453	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.3	172.4	-66.7	-142.7	-177	-173	22.6	110.9	V24 L35 E37	R22-V24 HydrophobicContact CB-CG1 4.31Å; R22-L35 HydrophobicContact CB-CB 4.49Å; R22-L35 PolarHBondContact N-O 2.83Å; R22-L35 PolarHBondContact O-N 2.88Å; R22-E37 HydrophobicContact CG-CG 4.3Å; R22-E37 IonicContact CZ-OE1 2.61Å; R22-E37 IonicContact CZ-OE2 3.57Å; R22-E37 IonicContact NE-OE1 3.46Å; R22-E37 IonicContact NE-OE2 3.41Å; R22-E37 PolarHBondContact NE-OE2 3.1Å; R22-E37 IonicContact NH2-OE1 3.64Å; R22-E37 PolarHBondContact NH2-OE1 3.32Å; R22-E37 IonicContact NH2-OE2 3.1Å; R22-E37 PolarHBondContact NH2-OE2 3.28Å
23	T	93.7	Very high	90.9	Very high	123 Å²	123	72.1 Å²	72.1	76%	0.755	41%	0.407	S	S	*	.			trans	-101.7	125.2	165.5	-56.9	0	0	0	0	107.4
24	V	94.8	Very high	92.5	Very high	35 Å²	35	70.4 Å²	70.4	21%	0.212	39%	0.394	C	S	.	.			trans	-133.7	155.8	-179	-53.3	0	0	0	0	109.9	R22 P31 L35 A70	R22-V24 HydrophobicContact CB-CG1 4.31Å; V24-P31 HydrophobicContact CG2-CG 3.8Å; V24-P31 VanDerWaalsContact O-CD 3.27Å; V24-P31 WeakPolarHBondContact O-CD 3.31Å; V24-L35 HydrophobicContact CG2-CD1 3.59Å; V24-A70 HydrophobicContact CG2-CB 3.69Å
25	T	96.5	Very high	93.7	Very high	96 Å²	96	64 Å²	64	59%	0.589	36%	0.36	S	S	*	.			trans	-122.3	143.7	169	-62.2	0	0	0	0	107.4	N30	T25-N30 WeakPolarHBondContact CG2-OD1 3.39Å; T25-N30 PolarHBondContact OG1-OD1 3.22Å
26	T	98.1	Very high	94.3	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-113.1	166.6	-179.6	75.1	0	0	0	0	110.4	F28 G29 P31 A66 W69 A70	T26-F28 PolarHBondContact O-N 3.4Å; T26-F28 PolarHBondContact OG1-N 3.25Å; T26-F28 VanDerWaalsContact OG1-N 3.11Å; T26-G29 WeakPolarHBondContact CB-O 3.41Å; T26-G29 PolarHBondContact N-O 3.41Å; T26-G29 PolarHBondContact O-N 3.16Å; T26-G29 PolarHBondContact OG1-N 3.36Å; T26-G29 PolarHBondContact OG1-O 3.09Å; T26-P31 HydrophobicContact CG2-CG 4.34Å; T26-A66 HydrophobicContact CG2-CB 4.18Å; T26-A66 WeakPolarHBondContact CG2-O 3.27Å; T26-A66 WeakPolarHBondContact OG1-CA 3.27Å; T26-A66 WeakPolarHBondContact OG1-CB 3.45Å; T26-W69 HydrophobicContact CG2-CB 4.23Å; T26-A70 HydrophobicContact CG2-CB 3.9Å
27	P	97.3	Very high	94.6	Very high	79 Å²	79	65.7 Å²	65.7	51%	0.513	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.4	168.9	-26	36.6	0	0	0	114.2
28	F	98	Very high	94.7	Very high	16 Å²	16	58.7 Å²	58.7	7%	0.07	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	13.2	-179.5	-47.6	-74.2	0	0	0	113.1	T26 N63 R65 W69 F114 G120 L122	T26-F28 PolarHBondContact O-N 3.4Å; T26-F28 PolarHBondContact OG1-N 3.25Å; T26-F28 VanDerWaalsContact OG1-N 3.11Å; F28-N63 PolarHBondContact O-ND2 3.05Å; F28-R65 HydrophobicContact CB-CB 3.62Å; F28-R65 HydrophobicContact CD1-CB 4.33Å; F28-R65 HydrophobicContact CD2-CB 4.21Å; F28-R65 HydrophobicContact CG-CB 3.78Å; F28-W69 HydrophobicContact CD2-CB 3.91Å; F28-W69 HydrophobicContact CD2-CD2 4.16Å; F28-W69 HydrophobicContact CD2-CE3 4.43Å; F28-W69 AromaticContact CD2-CG 3.92Å; F28-W69 HydrophobicContact CD2-CG 3.92Å; F28-W69 HydrophobicContact CE2-CB 4.11Å; F28-W69 AromaticContact CE2-CD2 3.49Å; F28-W69 HydrophobicContact CE2-CD2 3.49Å; F28-W69 VanDerWaalsContact CE2-CD2 3.49Å; F28-W69 AromaticContact CE2-CE3 3.51Å; F28-W69 HydrophobicContact CE2-CE3 3.51Å; F28-W69 AromaticContact CE2-CG 3.76Å; F28-W69 HydrophobicContact CE2-CG 3.76Å; F28-W69 HydrophobicContact CE2-CZ3 4.04Å; F28-W69 HydrophobicContact CZ-CE3 4.26Å; F28-W69 HydrophobicContact CZ-CZ3 4.38Å; F28-F114 HydrophobicContact CD1-CD1 4.28Å; F28-F114 AromaticContact CD2-CD1 3.82Å; F28-F114 HydrophobicContact CD2-CD1 3.82Å; F28-F114 AromaticContact CD2-CE1 3.9Å; F28-F114 HydrophobicContact CD2-CE1 3.9Å; F28-F114 HydrophobicContact CE1-CB 4.28Å; F28-F114 AromaticContact CE1-CD1 3.86Å; F28-F114 HydrophobicContact CE1-CD1 3.86Å; F28-F114 AromaticContact CE2-CD1 3.37Å; F28-F114 HydrophobicContact CE2-CD1 3.37Å; F28-F114 AromaticContact CE2-CE1 3.75Å; F28-F114 HydrophobicContact CE2-CE1 3.75Å; F28-F114 HydrophobicContact CE2-CG 4.3Å; F28-F114 HydrophobicContact CG-CD1 4.26Å; F28-F114 HydrophobicContact CZ-CB 3.92Å; F28-F114 AromaticContact CZ-CD1 3.38Å; F28-F114 HydrophobicContact CZ-CD1 3.38Å; F28-F114 HydrophobicContact CZ-CE1 4.23Å; F28-F114 HydrophobicContact CZ-CG 4.03Å; F28-G120 WeakPolarHBondContact CD1-O 3.38Å; F28-G120 WeakPolarHBondContact CE1-O 3.39Å; F28-L122 HydrophobicContact CE1-CG 4.49Å; F28-L122 HydrophobicContact CZ-CD1 4.29Å; F28-L122 HydrophobicContact CZ-CD2 4.23Å; F28-L122 HydrophobicContact CZ-CG 3.92Å
29	G	97.3	Very high	94.9	Very high	30 Å²	30	56.6 Å²	56.6	31%	0.309	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	99.9	-161.6	-177.8	0	0	0	0	0	113.4	T26 A66	T26-G29 WeakPolarHBondContact CB-O 3.41Å; T26-G29 PolarHBondContact N-O 3.41Å; T26-G29 PolarHBondContact O-N 3.16Å; T26-G29 PolarHBondContact OG1-N 3.36Å; T26-G29 PolarHBondContact OG1-O 3.09Å; G29-A66 WeakPolarHBondContact O-CB 3.18Å
30	N	97.4	Very high	95	Very high	102 Å²	102	54.3 Å²	54.3	55%	0.545	31%	0.307	S	S	.	.			trans	-85.8	140.2	-176.9	-65.3	-32.6	0	0	0	111.4	T25 N63 A66	T25-N30 WeakPolarHBondContact CG2-OD1 3.39Å; T25-N30 PolarHBondContact OG1-OD1 3.22Å; N30-N63 PolarHBondContact O-ND2 3.26Å; N30-A66 VanDerWaalsContact C-CB 3.47Å; N30-A66 WeakPolarHBondContact O-CB 3.38Å
31	P	97.3	Very high	94.9	Very high	16 Å²	16	53 Å²	53	10%	0.104	30%	0.301	C	S	.	.			trans	-60	163.7	166	-21.9	34.9	0	0	0	111.8	V24 T26 G33 L35 L48 A66 N67 A70	V24-P31 HydrophobicContact CG2-CG 3.8Å; V24-P31 VanDerWaalsContact O-CD 3.27Å; V24-P31 WeakPolarHBondContact O-CD 3.31Å; T26-P31 HydrophobicContact CG2-CG 4.34Å; P31-G33 PolarHBondContact O-N 3.24Å; P31-G33 VanDerWaalsContact O-N 3.16Å; P31-L35 HydrophobicContact CB-CD1 4.25Å; P31-L35 HydrophobicContact CG-CD1 4.09Å; P31-L48 HydrophobicContact CB-CD1 4.27Å; P31-A66 HydrophobicContact CG-CB 4.38Å; P31-N67 VanDerWaalsContact CA-OD1 3.24Å; P31-N67 WeakPolarHBondContact CA-OD1 3.1Å; P31-N67 WeakPolarHBondContact CB-OD1 3.39Å; P31-A70 HydrophobicContact CG-CB 3.68Å
32	S	95.4	Very high	94.9	Very high	18 Å²	18	51.2 Å²	51.2	13%	0.126	30%	0.302	C	S	.	.	S	Bend	trans	-56.8	-31	-179.1	-64.6	0	0	0	0	114.1	P49 R50 G52 N67	S32-P49 WeakPolarHBondContact CB-O 3.46Å; S32-R50 WeakPolarHBondContact CB-O 3.36Å; S32-R50 PolarHBondContact OG-O 3.07Å; S32-G52 WeakPolarHBondContact O-CA 3.49Å; S32-N67 PolarHBondContact N-OD1 3.42Å; S32-N67 PolarHBondContact OG-ND2 3.33Å; S32-N67 PolarHBondContact OG-OD1 3.05Å
33	G	92	Very high	95.2	Very high	24 Å²	24	46.4 Å²	46.4	25%	0.247	29%	0.286	C	S	.	.	S	Bend	trans	-160.5	-173.2	-178.7	0	0	0	0	0	111.5	P31	P31-G33 PolarHBondContact O-N 3.24Å; P31-G33 VanDerWaalsContact O-N 3.16Å
34	V	91.9	Very high	95.4	Very high	65 Å²	65	43 Å²	43	39%	0.394	27%	0.266	S	S	.	.			trans	-69.1	145.2	174.3	-61.4	0	0	0	0	110.6	V21	V21-V34 HydrophobicContact CG1-CB 3.58Å; V21-V34 HydrophobicContact CG1-CG1 3.98Å; V21-V34 HydrophobicContact CG1-CG2 3.66Å
35	L	94	Very high	95.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.7	174.2	-66.7	85.6	0	0	0	108.3	V21 R22 V24 P31 V46 L48 A70 L71 L74	V21-L35 CarbonylContact C-O 3.57Å; R22-L35 HydrophobicContact CB-CB 4.49Å; R22-L35 PolarHBondContact N-O 2.83Å; R22-L35 PolarHBondContact O-N 2.88Å; V24-L35 HydrophobicContact CG2-CD1 3.59Å; P31-L35 HydrophobicContact CB-CD1 4.25Å; P31-L35 HydrophobicContact CG-CD1 4.09Å; L35-V46 HydrophobicContact CB-CG1 3.82Å; L35-V46 HydrophobicContact CD2-CG1 3.95Å; L35-V46 HydrophobicContact CG-CG1 4.37Å; L35-L48 HydrophobicContact CD1-CD1 4.48Å; L35-L48 HydrophobicContact CG-CD1 4.25Å; L35-A70 HydrophobicContact CD1-CB 4.27Å; L35-A70 HydrophobicContact CD2-CB 3.82Å; L35-L71 HydrophobicContact CD2-CD2 4.03Å; L35-L74 HydrophobicContact CB-CD1 4.24Å; L35-L74 HydrophobicContact CD2-CD1 3.52Å; L35-L74 HydrophobicContact CG-CD1 4.47Å
36	T	93.8	Very high	95.4	Very high	36 Å²	36	36.8 Å²	36.8	22%	0.221	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.9	176.9	-52.3	0	0	0	0	109.2	L16 A19 V46 V47	L16-T36 HydrophobicContact CD1-CG2 3.87Å; L16-T36 WeakPolarHBondContact CD1-O 3.41Å; A19-T36 HydrophobicContact CB-CG2 3.94Å; T36-V46 CarbonylContact O-C 3.57Å; T36-V46 WeakPolarHBondContact O-CA 3.44Å; T36-V47 PolarHBondContact N-O 2.64Å; T36-V47 PolarHBondContact O-N 3.34Å
37	E	94.6	Very high	95.3	Very high	26 Å²	26	36.7 Å²	36.7	12%	0.121	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	148.5	175.5	-61.7	-176.5	123.5	0	0	111.1	A19 K20 R22 C45 V46 L74	A19-E37 CarbonylContact C-O 3.56Å; A19-E37 VanDerWaalsContact CA-O 3.22Å; A19-E37 WeakPolarHBondContact CA-O 3.4Å; K20-E37 PolarHBondContact N-O 3.4Å; K20-E37 PolarHBondContact O-N 2.73Å; R22-E37 HydrophobicContact CG-CG 4.3Å; R22-E37 IonicContact CZ-OE1 2.61Å; R22-E37 IonicContact CZ-OE2 3.57Å; R22-E37 IonicContact NE-OE1 3.46Å; R22-E37 IonicContact NE-OE2 3.41Å; R22-E37 PolarHBondContact NE-OE2 3.1Å; R22-E37 IonicContact NH2-OE1 3.64Å; R22-E37 PolarHBondContact NH2-OE1 3.32Å; R22-E37 IonicContact NH2-OE2 3.1Å; R22-E37 PolarHBondContact NH2-OE2 3.28Å; E37-C45 CarbonylContact C-O 3.45Å; E37-C45 WeakPolarHBondContact CA-O 3.17Å; E37-V46 HydrophobicContact CG-CG1 4.38Å; E37-V46 HydrophobicContact CG-CG2 4.06Å; E37-L74 HydrophobicContact CG-CD1 4.47Å
38	G	94.7	Very high	95.2	Very high	7 Å²	7	32.9 Å²	32.9	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-151.8	171.5	0	0	0	0	0	111.4	K17 C45	K17-G38 CarbonylContact O-C 3.58Å; K17-G38 WeakPolarHBondContact O-CA 3.44Å; G38-C45 PolarHBondContact N-O 2.92Å; G38-C45 PolarHBondContact O-N 3.11Å
39	F	96	Very high	95	Very high	86 Å²	86	33.2 Å²	33.2	38%	0.377	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.6	-177.5	-62.3	-97	0	0	0	111.9	K17 N18 V43 P44	K17-F39 HydrophobicContact CB-CB 4.42Å; K17-F39 PolarHBondContact N-O 2.91Å; K17-F39 PolarHBondContact O-N 3.34Å; N18-F39 HydrophobicContact CB-CD2 4.38Å; F39-V43 WeakPolarHBondContact CA-O 3.11Å; F39-P44 HydrophobicContact CD1-CG 4.3Å; F39-P44 HydrophobicContact CE1-CB 4.36Å; F39-P44 HydrophobicContact CE1-CG 3.91Å
40	V	94	Very high	94.9	Very high	5 Å²	5	32 Å²	32	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.7	168.8	168	0	0	0	0	107.8	L16 G42 V43 C45 L258 V261	L16-V40 HydrophobicContact CD2-CG2 3.63Å; V40-G42 PolarHBondContact O-N 2.82Å; V40-V43 PolarHBondContact N-O 2.81Å; V40-V43 WeakPolarHBondContact O-CB 3.4Å; V40-V43 PolarHBondContact O-N 3.07Å; V40-C45 HydrophobicContact CG2-CB 4.26Å; V40-L258 HydrophobicContact CB-CD2 4.17Å; V40-L258 HydrophobicContact CG1-CB 4.22Å; V40-L258 HydrophobicContact CG1-CD2 3.43Å; V40-L258 VanDerWaalsContact CG1-CD2 3.43Å; V40-L258 HydrophobicContact CG1-CG 4.43Å; V40-L258 HydrophobicContact CG2-CD2 3.64Å; V40-V261 HydrophobicContact CB-CB 4.43Å; V40-V261 HydrophobicContact CB-CG1 3.75Å; V40-V261 HydrophobicContact CG1-CB 3.98Å; V40-V261 HydrophobicContact CG1-CG1 3.74Å
41	K	90.5	Very high	94.7	Very high	119 Å²	119	28.1 Å²	28.1	52%	0.517	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	38.6	-179.4	-55.9	-169.2	-167.8	176	0	113.3	E259 R262	K41-E259 IonicContact NZ-OE2 2.71Å; K41-E259 PolarHBondContact NZ-OE2 2.67Å; K41-R262 HydrophobicContact CB-CB 4.3Å; K41-R262 HydrophobicContact CB-CG 4.06Å; K41-R262 HydrophobicContact CD-CB 3.87Å; K41-R262 HydrophobicContact CD-CG 3.83Å
42	G	94.4	Very high	94.3	Very high	61 Å²	61	27.7 Å²	27.7	63%	0.629	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-8.9	179.9	0	0	0	0	0	115.8	V40	V40-G42 PolarHBondContact O-N 2.82Å
43	V	97.3	Very high	93.8	Very high	19 Å²	19	34.6 Å²	34.6	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.2	-179.1	-174.1	0	0	0	0	110.2	V2 F39 V40 C45 V261	V2-V43 HydrophobicContact CG2-CG1 4.31Å; F39-V43 WeakPolarHBondContact CA-O 3.11Å; V40-V43 PolarHBondContact N-O 2.81Å; V40-V43 WeakPolarHBondContact O-CB 3.4Å; V40-V43 PolarHBondContact O-N 3.07Å; V43-C45 PolarHBondContact O-N 3.46Å; V43-C45 PolarHBondContact O-SG 2.82Å; V43-V261 HydrophobicContact CB-CG1 3.74Å; V43-V261 HydrophobicContact CG1-CG1 3.95Å; V43-V261 HydrophobicContact CG2-CG1 4.29Å
44	P	97.5	Very high	93.4	Very high	51 Å²	51	40.3 Å²	40.3	33%	0.331	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.5	174.8	-21.9	31.5	0	0	0	111.7	M1 V2 F39	M1-P44 CarbonylContact C-O 3.55Å; M1-P44 VanDerWaalsContact CA-O 3.23Å; M1-P44 WeakPolarHBondContact CA-O 3.46Å; M1-P44 HydrophobicContact CB-CB 4.19Å; M1-P44 HydrophobicContact CE-CB 4.03Å; M1-P44 HydrophobicContact CG-CB 4.05Å; M1-P44 WeakPolarHBondContact CG-O 3.42Å; V2-P44 PolarHBondContact N-O 3.17Å; F39-P44 HydrophobicContact CD1-CG 4.3Å; F39-P44 HydrophobicContact CE1-CB 4.36Å; F39-P44 HydrophobicContact CE1-CG 3.91Å
45	C	97	Very high	93.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.1	-177.3	-65.5	0	0	0	0	112.4	V2 L16 E37 G38 V40 V43 V261	V2-C45 CarbonylContact O-C 3.24Å; V2-C45 WeakPolarHBondContact O-CA 3.22Å; L16-C45 HydrophobicContact CD2-CB 3.83Å; E37-C45 CarbonylContact C-O 3.45Å; E37-C45 WeakPolarHBondContact CA-O 3.17Å; G38-C45 PolarHBondContact N-O 2.92Å; G38-C45 PolarHBondContact O-N 3.11Å; V40-C45 HydrophobicContact CG2-CB 4.26Å; V43-C45 PolarHBondContact O-N 3.46Å; V43-C45 PolarHBondContact O-SG 2.82Å; C45-V261 WeakPolarHBondContact SG-CG1 3.44Å
46	V	95.8	Very high	93.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.5	172.1	-169.5	0	0	0	0	108.9	M1 V2 G3 I4 L35 T36 E37 L71 L74	M1-V46 HydrophobicContact CG-CG2 4.11Å; M1-V46 HydrophobicContact SD-CG2 3.47Å; M1-V46 WeakPolarHBondContact SD-CG2 3.47Å; V2-V46 PolarHBondContact O-N 3.27Å; G3-V46 CarbonylContact C-O 3.46Å; G3-V46 WeakPolarHBondContact CA-O 3.26Å; I4-V46 PolarHBondContact N-O 3.15Å; L35-V46 HydrophobicContact CB-CG1 3.82Å; L35-V46 HydrophobicContact CD2-CG1 3.95Å; L35-V46 HydrophobicContact CG-CG1 4.37Å; T36-V46 CarbonylContact O-C 3.57Å; T36-V46 WeakPolarHBondContact O-CA 3.44Å; E37-V46 HydrophobicContact CG-CG1 4.38Å; E37-V46 HydrophobicContact CG-CG2 4.06Å; V46-L71 HydrophobicContact CB-CD2 3.94Å; V46-L71 HydrophobicContact CG1-CD2 3.84Å; V46-L74 HydrophobicContact CG1-CD1 3.81Å; V46-L74 HydrophobicContact CG2-CD1 4.19Å
47	V	94.9	Very high	93.1	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135	177.3	178.3	0	0	0	0	109.2	I4 F10 L15 L16 T36	I4-V47 HydrophobicContact CB-CG2 4.18Å; I4-V47 HydrophobicContact CD1-CG2 4.41Å; I4-V47 WeakPolarHBondContact O-CA 3.41Å; F10-V47 HydrophobicContact CB-CG1 4.39Å; L15-V47 HydrophobicContact CD2-CG2 3.81Å; L16-V47 HydrophobicContact CD1-CB 4.34Å; L16-V47 HydrophobicContact CD1-CG2 3.79Å; L16-V47 HydrophobicContact CD2-CG2 4.14Å; L16-V47 HydrophobicContact CG-CG2 4.13Å; T36-V47 PolarHBondContact N-O 2.64Å; T36-V47 PolarHBondContact O-N 3.34Å
48	L	94.7	Very high	93.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.2	178.5	172.7	59.4	0	0	0	109.9	I4 G6 P31 L35 R50 N67 L71	I4-L48 PolarHBondContact O-N 3.18Å; G6-L48 PolarHBondContact N-O 2.67Å; P31-L48 HydrophobicContact CB-CD1 4.27Å; L35-L48 HydrophobicContact CD1-CD1 4.48Å; L35-L48 HydrophobicContact CG-CD1 4.25Å; L48-R50 PolarHBondContact O-N 3.31Å; L48-N67 HydrophobicContact CD2-CB 3.56Å; L48-L71 HydrophobicContact CD2-CD1 4.39Å; L48-L71 HydrophobicContact CD2-CG 4.42Å
49	P	93.8	Very high	93.2	Very high	23 Å²	23	50.9 Å²	50.9	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.1	174.8	28.1	-34.6	0	0	0	110.7	S32 H51 G52	S32-P49 WeakPolarHBondContact CB-O 3.46Å; P49-H51 VanDerWaalsContact C-N 3.33Å; P49-H51 PolarHBondContact O-N 3.07Å; P49-G52 PolarHBondContact O-N 3.26Å
50	R	95.4	Very high	93.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.015	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.4	-174	-176.6	175.1	-62.7	101.4	-2	113.5	I5 G6 S32 L48 I62 T82 E207	I5-R50 HydrophobicContact CG2-CB 3.87Å; I5-R50 HydrophobicContact CG2-CG 4.37Å; I5-R50 VanDerWaalsContact CG2-NH2 3.35Å; I5-R50 PolarHBondContact O-NH2 3.41Å; G6-R50 PolarHBondContact O-N 2.98Å; S32-R50 WeakPolarHBondContact CB-O 3.36Å; S32-R50 PolarHBondContact OG-O 3.07Å; L48-R50 PolarHBondContact O-N 3.31Å; R50-I62 HydrophobicContact CG-CD1 3.54Å; R50-I62 HydrophobicContact CG-CG1 4.34Å; R50-I62 HydrophobicContact CG-CG2 4.35Å; R50-T82 PolarHBondContact NH1-O 2.97Å; R50-T82 PolarHBondContact NH2-O 2.96Å; R50-E207 IonicContact CZ-OE1 3.32Å; R50-E207 IonicContact CZ-OE2 3.14Å; R50-E207 IonicContact NE-OE1 3.5Å; R50-E207 IonicContact NE-OE2 3.87Å; R50-E207 PolarHBondContact NE-OE2 3.12Å; R50-E207 IonicContact NH2-OE1 2.78Å; R50-E207 PolarHBondContact NH2-OE1 3.21Å; R50-E207 IonicContact NH2-OE2 2.78Å; R50-E207 PolarHBondContact NH2-OE2 3.03Å
51	H	93.8	Very high	93.4	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.093	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	9.7	-175.5	-64.5	-88.9	0	0	0	113.3	P49 H55 L56 L57	P49-H51 VanDerWaalsContact C-N 3.33Å; P49-H51 PolarHBondContact O-N 3.07Å; H51-H55 HydrophobicContact CB-CB 4.33Å; H51-H55 AromaticContact CD2-CE1 3.23Å; H51-H55 PolarHBondContact CD2-CE1 2.73Å; H51-H55 AromaticContact CD2-ND1 3.93Å; H51-H55 AromaticContact CD2-NE2 3.51Å; H51-H55 AromaticContact CE1-NE2 3.99Å; H51-H55 AromaticContact CG-CD2 3.84Å; H51-H55 AromaticContact CG-CE1 3.42Å; H51-H55 VanDerWaalsContact CG-CE1 3.42Å; H51-H55 AromaticContact CG-ND1 3.83Å; H51-H55 AromaticContact CG-NE2 3.43Å; H51-H55 AromaticContact ND1-NE2 3.75Å; H51-H55 AromaticContact NE2-CE1 3.95Å; H51-H55 AromaticContact NE2-NE2 3.91Å; H51-H55 CarbonylContact O-C 3.54Å; H51-L56 PolarHBondContact O-N 2.61Å; H51-L57 PolarHBondContact ND1-O 3.16Å; H51-L57 PolarHBondContact O-N 2.78Å
52	G	89.9	Confident	93.6	Very high	8 Å²	8	48.4 Å²	48.4	8%	0.082	26%	0.263	C	S	.	.			trans	69.7	-167.2	-178.8	0	0	0	0	0	113.7	S32 P49 H55	S32-G52 WeakPolarHBondContact O-CA 3.49Å; P49-G52 PolarHBondContact O-N 3.26Å; G52-H55 PolarHBondContact O-N 3.29Å
53	K	82.9	Confident	93.8	Very high	163 Å²	163	47.7 Å²	47.7	71%	0.709	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.1	136.5	178.9	-174.3	179.9	176.5	-166.3	0	110	H55	K53-H55 PolarHBondContact O-N 2.92Å
54	E	83.9	Confident	93.8	Very high	144 Å²	144	47.1 Å²	47.1	67%	0.673	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	57.9	17.6	177.9	-68.4	163.2	-150.4	0	0	114.3	L56	E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 HydrophobicContact CB-CD1 4.29Å; E54-L56 HydrophobicContact CB-CD2 4.49Å; E54-L56 HydrophobicContact CB-CG 4.02Å; E54-L56 PolarHBondContact O-N 3.32Å
55	H	88	Confident	93.9	Very high	89 Å²	89	45.9 Å²	45.9	41%	0.412	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	59.7	33	176.8	-147.1	95.6	0	0	0	114	S8 H51 G52 K53	S8-H55 PolarHBondContact OG-ND1 3.35Å; H51-H55 HydrophobicContact CB-CB 4.33Å; H51-H55 AromaticContact CD2-CE1 3.23Å; H51-H55 PolarHBondContact CD2-CE1 2.73Å; H51-H55 AromaticContact CD2-ND1 3.93Å; H51-H55 AromaticContact CD2-NE2 3.51Å; H51-H55 AromaticContact CE1-NE2 3.99Å; H51-H55 AromaticContact CG-CD2 3.84Å; H51-H55 AromaticContact CG-CE1 3.42Å; H51-H55 VanDerWaalsContact CG-CE1 3.42Å; H51-H55 AromaticContact CG-ND1 3.83Å; H51-H55 AromaticContact CG-NE2 3.43Å; H51-H55 AromaticContact ND1-NE2 3.75Å; H51-H55 AromaticContact NE2-CE1 3.95Å; H51-H55 AromaticContact NE2-NE2 3.91Å; H51-H55 CarbonylContact O-C 3.54Å; G52-H55 PolarHBondContact O-N 3.29Å; K53-H55 PolarHBondContact O-N 2.92Å
56	L	92.4	Very high	94	Very high	129 Å²	129	45.9 Å²	45.9	68%	0.675	23%	0.229	S	C	*	.			trans	-79.8	-15.6	-170.9	-65.4	175.9	0	0	0	114.8	H51 E54	H51-L56 PolarHBondContact O-N 2.61Å; E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 HydrophobicContact CB-CD1 4.29Å; E54-L56 HydrophobicContact CB-CD2 4.49Å; E54-L56 HydrophobicContact CB-CG 4.02Å; E54-L56 PolarHBondContact O-N 3.32Å
57	L	94.1	Very high	94.1	Very high	53 Å²	53	45.9 Å²	45.9	28%	0.277	23%	0.229	S	C	.	.	S	Bend	trans	-86.4	125.3	179.1	-61.9	173.6	0	0	0	111	H51 I62	H51-L57 PolarHBondContact ND1-O 3.16Å; H51-L57 PolarHBondContact O-N 2.78Å; L57-I62 HydrophobicContact CB-CG1 4.4Å
58	L	94.9	Very high	94.3	Very high	71 Å²	71	45.5 Å²	45.5	37%	0.372	23%	0.227	S	C	.	.			trans	-63.7	154.9	168.9	-61.9	179.1	0	0	0	110.4	S60 E61 I62 P181	L58-S60 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact O-N 3.12Å; L58-E61 HydrophobicContact CB-CB 4.38Å; L58-E61 HydrophobicContact CB-CG 4.04Å; L58-E61 WeakPolarHBondContact CB-OE2 3.42Å; L58-E61 WeakPolarHBondContact CG-OE2 3.39Å; L58-E61 PolarHBondContact N-OE2 2.89Å; L58-E61 PolarHBondContact O-N 2.93Å; L58-I62 PolarHBondContact O-N 3.19Å; L58-P181 HydrophobicContact CD1-CB 4.33Å; L58-P181 HydrophobicContact CD1-CG 4.38Å; L58-P181 HydrophobicContact CD2-CB 4.04Å
59	P	95.7	Very high	94.5	Very high	15 Å²	15	46.9 Å²	46.9	10%	0.097	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-51	-38.4	176	-28.3	34.2	0	0	0	114.4	E61 Y64 M202 T203	P59-E61 VanDerWaalsContact C-N 3.31Å; P59-E61 PolarHBondContact O-N 2.67Å; P59-Y64 WeakPolarHBondContact O-CE2 3.04Å; P59-Y64 PolarHBondContact O-OH 2.83Å; P59-Y64 VanDerWaalsContact O-OH 3.06Å; P59-M202 HydrophobicContact CB-CB 3.62Å; P59-M202 HydrophobicContact CG-CB 3.72Å; P59-M202 HydrophobicContact CG-CG 4.42Å; P59-M202 HydrophobicContact CG-SD 3.85Å; P59-T203 HydrophobicContact CB-CG2 4.04Å; P59-T203 HydrophobicContact CG-CG2 4.41Å
60	S	97	Very high	94.7	Very high	40 Å²	40	45.8 Å²	45.8	28%	0.28	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-74.9	-16.1	178.7	54.6	0	0	0	0	114.6	L58	L58-S60 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact O-N 3.12Å
61	E	96.6	Very high	94.8	Very high	109 Å²	109	45.6 Å²	45.6	51%	0.509	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-98.7	-7.6	-176.5	-64.8	173.7	151.8	0	0	112.7	L58 P59 N63	L58-E61 HydrophobicContact CB-CB 4.38Å; L58-E61 HydrophobicContact CB-CG 4.04Å; L58-E61 WeakPolarHBondContact CB-OE2 3.42Å; L58-E61 WeakPolarHBondContact CG-OE2 3.39Å; L58-E61 PolarHBondContact N-OE2 2.89Å; L58-E61 PolarHBondContact O-N 2.93Å; P59-E61 VanDerWaalsContact C-N 3.31Å; P59-E61 PolarHBondContact O-N 2.67Å; E61-N63 PolarHBondContact O-N 3.29Å
62	I	96.4	Very high	95.1	Very high	9 Å²	9	48 Å²	48	5%	0.046	23%	0.234	C	C	.	.			trans	-62.2	127.7	177.4	-65.5	159.8	0	0	0	109.5	R50 L57 L58 Y64 N67 T203	R50-I62 HydrophobicContact CG-CD1 3.54Å; R50-I62 HydrophobicContact CG-CG1 4.34Å; R50-I62 HydrophobicContact CG-CG2 4.35Å; L57-I62 HydrophobicContact CB-CG1 4.4Å; L58-I62 PolarHBondContact O-N 3.19Å; I62-Y64 VanDerWaalsContact C-N 3.26Å; I62-Y64 HydrophobicContact CB-CD2 4.02Å; I62-Y64 HydrophobicContact CB-CE1 4.2Å; I62-Y64 HydrophobicContact CB-CE2 3.63Å; I62-Y64 HydrophobicContact CB-CG 4.46Å; I62-Y64 HydrophobicContact CD1-CE1 4.23Å; I62-Y64 HydrophobicContact CD1-CE2 4.45Å; I62-Y64 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y64 HydrophobicContact CG2-CD1 3.79Å; I62-Y64 HydrophobicContact CG2-CD2 3.95Å; I62-Y64 HydrophobicContact CG2-CE1 3.77Å; I62-Y64 HydrophobicContact CG2-CE2 3.94Å; I62-Y64 HydrophobicContact CG2-CG 3.89Å; I62-Y64 WeakPolarHBondContact O-CD2 3.24Å; I62-Y64 PolarHBondContact O-N 3.01Å; I62-N67 WeakPolarHBondContact CG2-ND2 3.37Å; I62-T203 HydrophobicContact CD1-CG2 4.11Å
63	N	97.7	Very high	95.4	Very high	46 Å²	46	52.8 Å²	52.8	25%	0.246	26%	0.255	C	S	.	.			trans	-80.3	75.7	171.4	-167.8	-14.1	0	0	0	110.8	F28 N30 E61 R65 A66 N67	F28-N63 PolarHBondContact O-ND2 3.05Å; N30-N63 PolarHBondContact O-ND2 3.26Å; E61-N63 PolarHBondContact O-N 3.29Å; N63-R65 PolarHBondContact O-N 3.4Å; N63-A66 HydrophobicContact CB-CB 4.1Å; N63-A66 VanDerWaalsContact CG-CB 3.41Å; N63-A66 WeakPolarHBondContact ND2-CB 3.49Å; N63-A66 PolarHBondContact O-N 3.09Å; N63-A66 VanDerWaalsContact O-N 3.17Å; N63-A66 PolarHBondContact OD1-N 3.45Å; N63-A66 VanDerWaalsContact OD1-N 3.07Å; N63-N67 PolarHBondContact O-N 3.41Å
64	Y	98.3	Very high	96.1	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-37.3	-178.2	-65.5	-83	0	0	0	112.5	P59 I62 N67 I68 R110 P206 E207	P59-Y64 WeakPolarHBondContact O-CE2 3.04Å; P59-Y64 PolarHBondContact O-OH 2.83Å; P59-Y64 VanDerWaalsContact O-OH 3.06Å; I62-Y64 VanDerWaalsContact C-N 3.26Å; I62-Y64 HydrophobicContact CB-CD2 4.02Å; I62-Y64 HydrophobicContact CB-CE1 4.2Å; I62-Y64 HydrophobicContact CB-CE2 3.63Å; I62-Y64 HydrophobicContact CB-CG 4.46Å; I62-Y64 HydrophobicContact CD1-CE1 4.23Å; I62-Y64 HydrophobicContact CD1-CE2 4.45Å; I62-Y64 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y64 HydrophobicContact CG2-CD1 3.79Å; I62-Y64 HydrophobicContact CG2-CD2 3.95Å; I62-Y64 HydrophobicContact CG2-CE1 3.77Å; I62-Y64 HydrophobicContact CG2-CE2 3.94Å; I62-Y64 HydrophobicContact CG2-CG 3.89Å; I62-Y64 WeakPolarHBondContact O-CD2 3.24Å; I62-Y64 PolarHBondContact O-N 3.01Å; Y64-N67 PolarHBondContact O-N 2.85Å; Y64-I68 WeakPolarHBondContact O-CG1 3.14Å; Y64-I68 PolarHBondContact O-N 2.92Å; Y64-R110 PolarHBondContact OH-NH1 3.23Å; Y64-P206 HydrophobicContact CD2-CG 3.86Å; Y64-P206 HydrophobicContact CG-CG 3.91Å; Y64-E207 HydrophobicContact CD1-CB 3.84Å; Y64-E207 HydrophobicContact CD1-CG 4.38Å; Y64-E207 HydrophobicContact CE1-CB 4.13Å
65	R	98.7	Very high	96.8	Very high	25 Å²	25	41.6 Å²	41.6	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-50.3	176.7	-64.7	-162.6	-59.9	-176.3	-6.6	111.1	F28 N63 N67 I68 W69 E111 T113 F114 L210	F28-R65 HydrophobicContact CB-CB 3.62Å; F28-R65 HydrophobicContact CD1-CB 4.33Å; F28-R65 HydrophobicContact CD2-CB 4.21Å; F28-R65 HydrophobicContact CG-CB 3.78Å; N63-R65 PolarHBondContact O-N 3.4Å; R65-N67 VanDerWaalsContact C-N 3.34Å; R65-N67 PolarHBondContact O-N 3.3Å; R65-I68 PolarHBondContact O-N 3.47Å; R65-W69 WeakPolarHBondContact O-CB 3.36Å; R65-W69 PolarHBondContact O-N 3.43Å; R65-E111 HydrophobicContact CG-CB 4.19Å; R65-E111 IonicContact CZ-OE2 3.43Å; R65-E111 IonicContact NH1-OE2 2.91Å; R65-E111 PolarHBondContact NH1-OE2 3.39Å; R65-E111 IonicContact NH2-OE2 3.42Å; R65-E111 PolarHBondContact NH2-OE2 3.38Å; R65-T113 WeakPolarHBondContact CD-O 3.23Å; R65-T113 PolarHBondContact NH1-O 3Å; R65-F114 HydrophobicContact CB-CD1 4.04Å; R65-F114 HydrophobicContact CB-CE1 3.67Å; R65-F114 HydrophobicContact CG-CD1 4.08Å; R65-F114 HydrophobicContact CG-CE1 4.03Å; R65-F114 WeakPolarHBondContact O-CE1 3.18Å; R65-L210 HydrophobicContact CG-CD1 3.89Å; R65-L210 HydrophobicContact CG-CD2 3.94Å
66	A	98.5	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-38.8	178.6	0	0	0	0	0	112.4	T26 G29 N30 P31 N63 A70	T26-A66 HydrophobicContact CG2-CB 4.18Å; T26-A66 WeakPolarHBondContact CG2-O 3.27Å; T26-A66 WeakPolarHBondContact OG1-CA 3.27Å; T26-A66 WeakPolarHBondContact OG1-CB 3.45Å; G29-A66 WeakPolarHBondContact O-CB 3.18Å; N30-A66 VanDerWaalsContact C-CB 3.47Å; N30-A66 WeakPolarHBondContact O-CB 3.38Å; P31-A66 HydrophobicContact CG-CB 4.38Å; N63-A66 HydrophobicContact CB-CB 4.1Å; N63-A66 VanDerWaalsContact CG-CB 3.41Å; N63-A66 WeakPolarHBondContact ND2-CB 3.49Å; N63-A66 PolarHBondContact O-N 3.09Å; N63-A66 VanDerWaalsContact O-N 3.17Å; N63-A66 PolarHBondContact OD1-N 3.45Å; N63-A66 VanDerWaalsContact OD1-N 3.07Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.36Å
67	N	98.3	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-52.8	177.3	-72.6	-9.9	0	0	0	112.1	P31 S32 L48 I62 N63 Y64 R65 L71	P31-N67 VanDerWaalsContact CA-OD1 3.24Å; P31-N67 WeakPolarHBondContact CA-OD1 3.1Å; P31-N67 WeakPolarHBondContact CB-OD1 3.39Å; S32-N67 PolarHBondContact N-OD1 3.42Å; S32-N67 PolarHBondContact OG-ND2 3.33Å; S32-N67 PolarHBondContact OG-OD1 3.05Å; L48-N67 HydrophobicContact CD2-CB 3.56Å; I62-N67 WeakPolarHBondContact CG2-ND2 3.37Å; N63-N67 PolarHBondContact O-N 3.41Å; Y64-N67 PolarHBondContact O-N 2.85Å; R65-N67 VanDerWaalsContact C-N 3.34Å; R65-N67 PolarHBondContact O-N 3.3Å; N67-L71 WeakPolarHBondContact O-CG 3.37Å; N67-L71 PolarHBondContact O-N 2.97Å
68	I	98.8	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-42.1	-179.6	-64.2	-58.7	0	0	0	111.1	I5 Y64 R65 L71 K72 I79 F114 E207 L210 A211 A214 L216	I5-I68 HydrophobicContact CD1-CD1 3.9Å; Y64-I68 WeakPolarHBondContact O-CG1 3.14Å; Y64-I68 PolarHBondContact O-N 2.92Å; R65-I68 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 3.26Å; I68-K72 PolarHBondContact O-N 2.89Å; I68-I79 HydrophobicContact CD1-CD1 3.55Å; I68-F114 HydrophobicContact CB-CZ 4.02Å; I68-F114 HydrophobicContact CG2-CE2 4.22Å; I68-F114 HydrophobicContact CG2-CZ 3.82Å; I68-E207 HydrophobicContact CD1-CG 3.92Å; I68-L210 HydrophobicContact CB-CB 4.3Å; I68-L210 HydrophobicContact CG1-CB 3.94Å; I68-L210 HydrophobicContact CG2-CB 4.32Å; I68-A211 HydrophobicContact CD1-CB 4.12Å; I68-A214 HydrophobicContact CG2-CB 3.66Å; I68-L216 HydrophobicContact CG2-CD1 4.24Å
69	W	98.7	Very high	98	Very high	29 Å²	29	27.4 Å²	27.4	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-66.2	-40.5	-179.4	-166.2	-90.4	0	0	0	112.5	T26 F28 R65 L71 K72 E73 F114 L122	T26-W69 HydrophobicContact CG2-CB 4.23Å; F28-W69 HydrophobicContact CD2-CB 3.91Å; F28-W69 HydrophobicContact CD2-CD2 4.16Å; F28-W69 HydrophobicContact CD2-CE3 4.43Å; F28-W69 AromaticContact CD2-CG 3.92Å; F28-W69 HydrophobicContact CD2-CG 3.92Å; F28-W69 HydrophobicContact CE2-CB 4.11Å; F28-W69 AromaticContact CE2-CD2 3.49Å; F28-W69 HydrophobicContact CE2-CD2 3.49Å; F28-W69 VanDerWaalsContact CE2-CD2 3.49Å; F28-W69 AromaticContact CE2-CE3 3.51Å; F28-W69 HydrophobicContact CE2-CE3 3.51Å; F28-W69 AromaticContact CE2-CG 3.76Å; F28-W69 HydrophobicContact CE2-CG 3.76Å; F28-W69 HydrophobicContact CE2-CZ3 4.04Å; F28-W69 HydrophobicContact CZ-CE3 4.26Å; F28-W69 HydrophobicContact CZ-CZ3 4.38Å; R65-W69 WeakPolarHBondContact O-CB 3.36Å; R65-W69 PolarHBondContact O-N 3.43Å; W69-L71 VanDerWaalsContact C-N 3.34Å; W69-L71 PolarHBondContact O-N 3Å; W69-K72 HydrophobicContact CD2-CD 4.47Å; W69-K72 HydrophobicContact CE3-CD 4.05Å; W69-K72 HydrophobicContact CZ3-CD 4.16Å; W69-K72 WeakPolarHBondContact O-CB 3.49Å; W69-K72 PolarHBondContact O-N 2.91Å; W69-E73 PolarHBondContact NE1-OE1 2.86Å; W69-E73 PolarHBondContact O-N 2.95Å; W69-F114 HydrophobicContact CB-CE1 4.21Å; W69-F114 HydrophobicContact CE3-CD1 4.19Å; W69-F114 HydrophobicContact CE3-CE1 4.03Å; W69-F114 HydrophobicContact CE3-CE2 4.48Å; W69-F114 HydrophobicContact CE3-CG 4.46Å; W69-F114 HydrophobicContact CE3-CZ 4.18Å; W69-L122 HydrophobicContact CH2-CD1 3.76Å; W69-L122 HydrophobicContact CH2-CD2 4.46Å; W69-L122 HydrophobicContact CZ3-CD1 3.81Å
70	A	98.5	Very high	98.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-43	176.2	0	0	0	0	0	112	V24 T26 P31 L35 A66 E73 L74	V24-A70 HydrophobicContact CG2-CB 3.69Å; T26-A70 HydrophobicContact CG2-CB 3.9Å; P31-A70 HydrophobicContact CG-CB 3.68Å; L35-A70 HydrophobicContact CD1-CB 4.27Å; L35-A70 HydrophobicContact CD2-CB 3.82Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.36Å; A70-E73 PolarHBondContact O-N 3.35Å; A70-L74 WeakPolarHBondContact O-CG 3.31Å; A70-L74 PolarHBondContact O-N 3.31Å; A70-L74 VanDerWaalsContact O-N 3.09Å
71	L	98.5	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-42	175.1	-67.6	171.7	0	0	0	111.5	I5 L35 V46 L48 N67 I68 W69 L74 G75 C76 I79	I5-L71 HydrophobicContact CD1-CD1 3.75Å; I5-L71 HydrophobicContact CG1-CD1 3.75Å; L35-L71 HydrophobicContact CD2-CD2 4.03Å; V46-L71 HydrophobicContact CB-CD2 3.94Å; V46-L71 HydrophobicContact CG1-CD2 3.84Å; L48-L71 HydrophobicContact CD2-CD1 4.39Å; L48-L71 HydrophobicContact CD2-CG 4.42Å; N67-L71 WeakPolarHBondContact O-CG 3.37Å; N67-L71 PolarHBondContact O-N 2.97Å; I68-L71 PolarHBondContact O-N 3.26Å; W69-L71 VanDerWaalsContact C-N 3.34Å; W69-L71 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 3.5Å; L71-G75 PolarHBondContact O-N 3Å; L71-C76 HydrophobicContact CB-CB 4.21Å; L71-C76 WeakPolarHBondContact O-CB 3.49Å; L71-C76 PolarHBondContact O-N 3.45Å; L71-C76 PolarHBondContact O-SG 3.37Å; L71-C76 VanDerWaalsContact O-SG 3.41Å; L71-I79 HydrophobicContact CB-CD1 4.34Å; L71-I79 HydrophobicContact CD1-CD1 3.71Å; L71-I79 HydrophobicContact CD1-CG1 4.05Å
72	K	98.5	Very high	98.2	Very high	70 Å²	70	19.8 Å²	19.8	30%	0.304	11%	0.106	S	C	.	.	H	α-helix	trans	-58.7	-47.6	173.9	178.7	-173.9	177.7	179.3	0	111.8	I68 W69 L74 G75 A214 L216	I68-K72 PolarHBondContact O-N 2.89Å; W69-K72 HydrophobicContact CD2-CD 4.47Å; W69-K72 HydrophobicContact CE3-CD 4.05Å; W69-K72 HydrophobicContact CZ3-CD 4.16Å; W69-K72 WeakPolarHBondContact O-CB 3.49Å; W69-K72 PolarHBondContact O-N 2.91Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.38Å; K72-G75 WeakPolarHBondContact O-CA 3.35Å; K72-G75 PolarHBondContact O-N 3.23Å; K72-A214 HydrophobicContact CD-CB 4.02Å; K72-L216 HydrophobicContact CB-CD1 4.27Å
73	E	97.9	Very high	98	Very high	108 Å²	108	19.4 Å²	19.4	51%	0.505	10%	0.104	S	C	.	.	H	α-helix	trans	-66	-30.6	-178.6	-76.7	-173.8	148.7	0	0	113.2	W69 A70 G75	W69-E73 PolarHBondContact NE1-OE1 2.86Å; W69-E73 PolarHBondContact O-N 2.95Å; A70-E73 PolarHBondContact O-N 3.35Å; E73-G75 PolarHBondContact O-N 3.32Å
74	L	97.1	Very high	97.9	Very high	30 Å²	30	19 Å²	19	16%	0.157	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.3	171.3	-67.9	177.9	0	0	0	113.5	M1 L35 E37 V46 A70 L71 K72	M1-L74 HydrophobicContact SD-CB 4.49Å; M1-L74 VanDerWaalsContact SD-O 3.35Å; L35-L74 HydrophobicContact CB-CD1 4.24Å; L35-L74 HydrophobicContact CD2-CD1 3.52Å; L35-L74 HydrophobicContact CG-CD1 4.47Å; E37-L74 HydrophobicContact CG-CD1 4.47Å; V46-L74 HydrophobicContact CG1-CD1 3.81Å; V46-L74 HydrophobicContact CG2-CD1 4.19Å; A70-L74 WeakPolarHBondContact O-CG 3.31Å; A70-L74 PolarHBondContact O-N 3.31Å; A70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 3.5Å; K72-L74 VanDerWaalsContact C-N 3.31Å; K72-L74 PolarHBondContact O-N 3.38Å
75	G	97.9	Very high	97.9	Very high	42 Å²	42	18.8 Å²	18.8	43%	0.433	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	20.7	177.9	0	0	0	0	0	113.9	L71 K72 E73 T77	L71-G75 PolarHBondContact O-N 3Å; K72-G75 WeakPolarHBondContact O-CA 3.35Å; K72-G75 PolarHBondContact O-N 3.23Å; E73-G75 PolarHBondContact O-N 3.32Å; G75-T77 PolarHBondContact O-N 3.45Å
76	C	98.7	Very high	97.8	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.034	11%	0.106	C	C	.	.			trans	-57.8	139.1	167.2	-67.8	0	0	0	0	109.9	M1 L71 L216	M1-C76 WeakPolarHBondContact O-CA 3.38Å; L71-C76 HydrophobicContact CB-CB 4.21Å; L71-C76 WeakPolarHBondContact O-CB 3.49Å; L71-C76 PolarHBondContact O-N 3.45Å; L71-C76 PolarHBondContact O-SG 3.37Å; L71-C76 VanDerWaalsContact O-SG 3.41Å; C76-L216 WeakPolarHBondContact O-CD2 3.36Å
77	T	98.8	Very high	97.8	Very high	39 Å²	39	17.9 Å²	17.9	24%	0.239	11%	0.106	C	C	.	.			trans	-108.6	-19.7	172.6	53.5	0	0	0	0	111.7	M1 G75 S217 I273	M1-T77 PolarHBondContact O-N 3.2Å; M1-T77 PolarHBondContact O-OG1 3.4Å; G75-T77 PolarHBondContact O-N 3.45Å; T77-S217 PolarHBondContact O-N 2.96Å; T77-I273 HydrophobicContact CG2-CD1 3.68Å; T77-I273 HydrophobicContact CG2-CG1 4.34Å
78	H	98.9	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.5	-179	-63.2	70.5	0	0	0	109.9	V2 G3 T138 S217 I264 W269	V2-H78 HydrophobicContact CG1-CB 4.22Å; V2-H78 HydrophobicContact CG2-CB 4.31Å; G3-H78 PolarHBondContact N-O 3.39Å; H78-T138 PolarHBondContact CD2-OG1 3.32Å; H78-S217 CarbonylContact C-O 3.56Å; H78-S217 WeakPolarHBondContact CA-O 3.36Å; H78-S217 WeakPolarHBondContact CD2-CB 3.41Å; H78-I264 HydrophobicContact CB-CD1 4.34Å; H78-W269 AromaticContact CE1-CD2 3.46Å; H78-W269 VanDerWaalsContact CE1-CD2 3.46Å; H78-W269 AromaticContact CE1-CE2 3.84Å; H78-W269 AromaticContact CE1-CE3 3.8Å; H78-W269 AromaticContact CE1-CG 3.59Å; H78-W269 AromaticContact NE2-CD2 3.19Å; H78-W269 AromaticContact NE2-CE2 3.44Å; H78-W269 AromaticContact NE2-CE3 3.18Å; H78-W269 AromaticContact NE2-CG 3.85Å; H78-W269 AromaticContact NE2-CH2 3.65Å; H78-W269 AromaticContact NE2-CZ2 3.68Å; H78-W269 AromaticContact NE2-CZ3 3.4Å; H78-W269 WeakPolarHBondContact NE2-CZ3 3.36Å
79	I	98.7	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.8	167	-63.9	178.6	0	0	0	108.3	G3 I5 I68 L71 A211 L216 S217 Y218 A219	G3-I79 CarbonylContact O-C 3.6Å; G3-I79 VanDerWaalsContact O-CA 3.31Å; G3-I79 WeakPolarHBondContact O-CA 3.47Å; I5-I79 HydrophobicContact CD1-CG2 3.79Å; I5-I79 HydrophobicContact CG1-CG2 3.93Å; I68-I79 HydrophobicContact CD1-CD1 3.55Å; L71-I79 HydrophobicContact CB-CD1 4.34Å; L71-I79 HydrophobicContact CD1-CD1 3.71Å; L71-I79 HydrophobicContact CD1-CG1 4.05Å; I79-A211 HydrophobicContact CD1-CB 4.36Å; I79-L216 HydrophobicContact CD1-CD1 3.5Å; I79-L216 VanDerWaalsContact CD1-CD1 3.5Å; I79-L216 HydrophobicContact CG1-CD1 4.07Å; I79-S217 PolarHBondContact N-O 3.01Å; I79-Y218 HydrophobicContact CB-CD2 3.8Å; I79-Y218 HydrophobicContact CB-CE2 4.47Å; I79-Y218 HydrophobicContact CG2-CD2 3.63Å; I79-Y218 HydrophobicContact CG2-CE2 3.78Å; I79-Y218 WeakPolarHBondContact O-CA 3.47Å; I79-A219 PolarHBondContact O-N 3.29Å
80	L	98.3	Very high	97.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.3	167.4	-58.2	-179.3	0	0	0	108.7	V2 G3 I4 I5 T138 L142 A219 L257 A260 V261 I264	V2-L80 HydrophobicContact CG1-CD1 4.13Å; V2-L80 HydrophobicContact CG1-CG 4.02Å; G3-L80 PolarHBondContact O-N 2.77Å; I4-L80 CarbonylContact C-O 3.53Å; I4-L80 VanDerWaalsContact CA-O 3.28Å; I4-L80 WeakPolarHBondContact CA-O 3.5Å; I5-L80 PolarHBondContact N-O 3.09Å; L80-T138 HydrophobicContact CD2-CG2 3.55Å; L80-L142 HydrophobicContact CD2-CD1 4.42Å; L80-L142 HydrophobicContact CD2-CD2 4.28Å; L80-L142 HydrophobicContact CD2-CG 4.33Å; L80-A219 HydrophobicContact CD2-CB 4.34Å; L80-L257 HydrophobicContact CB-CD2 3.95Å; L80-L257 HydrophobicContact CD1-CD2 4.11Å; L80-A260 HydrophobicContact CD1-CB 3.89Å; L80-V261 HydrophobicContact CD1-CG2 4.13Å; L80-I264 HydrophobicContact CD1-CD1 4.15Å; L80-I264 HydrophobicContact CD2-CD1 4.25Å; L80-I264 HydrophobicContact CG-CD1 4.39Å
81	A	97.8	Very high	96.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.9	-178.6	0	0	0	0	0	111.7	I5 E207 Y218 A219 S220 I221	I5-A81 WeakPolarHBondContact O-CA 3.45Å; A81-E207 VanDerWaalsContact CB-OE1 3.32Å; A81-E207 WeakPolarHBondContact CB-OE1 3.36Å; A81-Y218 HydrophobicContact CB-CE2 3.75Å; A81-Y218 WeakPolarHBondContact CB-OH 3.29Å; A81-A219 PolarHBondContact N-O 2.97Å; A81-S220 WeakPolarHBondContact O-CA 3.3Å; A81-I221 PolarHBondContact O-N 3.08Å
82	T	96.4	Very high	96.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.7	166.1	65.8	0	0	0	0	110.9	I5 F10 R50 I221 V253 L257	I5-T82 PolarHBondContact O-N 3.41Å; F10-T82 HydrophobicContact CE2-CG2 3.66Å; F10-T82 HydrophobicContact CZ-CG2 3.68Å; R50-T82 PolarHBondContact NH1-O 2.97Å; R50-T82 PolarHBondContact NH2-O 2.96Å; T82-I221 WeakPolarHBondContact CA-O 3.44Å; T82-I221 HydrophobicContact CG2-CG2 4.01Å; T82-V253 HydrophobicContact CG2-CG2 3.78Å; T82-L257 HydrophobicContact CG2-CD1 3.69Å
83	N	94.1	Very high	96.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.2	175.2	-57	87.8	0	0	0	109.6	T203 S220 I221 A222 I223	N83-T203 PolarHBondContact ND2-OG1 3.28Å; N83-S220 PolarHBondContact OD1-OG 3.26Å; N83-I221 PolarHBondContact N-O 3.31Å; N83-A222 CarbonylContact O-C 3.55Å; N83-A222 VanDerWaalsContact O-CA 3.25Å; N83-A222 WeakPolarHBondContact O-CA 3.49Å; N83-I223 PolarHBondContact O-N 3.45Å
84	A	95	Very high	96.3	Very high	38 Å²	38	25.8 Å²	25.8	31%	0.314	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.3	166.4	0	0	0	0	0	108.9	T225 V242 F246	A84-T225 HydrophobicContact CB-CG2 4.15Å; A84-V242 HydrophobicContact CB-CG1 4.33Å; A84-F246 HydrophobicContact CB-CD2 4.1Å; A84-F246 HydrophobicContact CB-CE2 4.46Å
85	C	97.3	Very high	96.2	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.02	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.8	-174	-59.2	0	0	0	0	111.3	L199 I200 N201 A222 I223 V224 T225	C85-L199 HydrophobicContact CB-CB 4.12Å; C85-L199 HydrophobicContact CB-CD1 4.09Å; C85-L199 HydrophobicContact CB-CD2 4.48Å; C85-L199 HydrophobicContact CB-CG 4.48Å; C85-I200 CarbonylContact C-O 3.6Å; C85-I200 WeakPolarHBondContact CA-O 3.42Å; C85-I200 WeakPolarHBondContact CB-O 3.5Å; C85-N201 HydrophobicContact CB-CB 4.39Å; C85-N201 VanDerWaalsContact SG-CB 3.56Å; C85-A222 HydrophobicContact CB-CB 4.41Å; C85-A222 VanDerWaalsContact SG-CB 3.55Å; C85-I223 PolarHBondContact N-O 3.27Å; C85-V224 WeakPolarHBondContact O-CA 3.5Å; C85-T225 PolarHBondContact O-N 3.37Å; C85-T225 PolarHBondContact O-OG1 2.87Å
86	G	97.8	Very high	96.2	Very high	6 Å²	6	22.7 Å²	22.7	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144.4	162.8	0	0	0	0	0	110.3	L199 I200 D226	G86-L199 CarbonylContact O-C 3.59Å; G86-L199 VanDerWaalsContact O-CA 3.32Å; G86-L199 WeakPolarHBondContact O-CA 3.43Å; G86-I200 PolarHBondContact N-O 3.01Å; G86-I200 WeakPolarHBondContact O-CG2 3.27Å; G86-I200 PolarHBondContact O-N 3.18Å; G86-D226 WeakPolarHBondContact CA-OD1 3.47Å
87	S	97.6	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.1	174.8	177.8	0	0	0	0	112	Q89 K92 D226 F227 W230	S87-Q89 PolarHBondContact OG-N 3.2Å; S87-Q89 PolarHBondContact OG-O 3.18Å; S87-K92 WeakPolarHBondContact CB-O 3.4Å; S87-K92 WeakPolarHBondContact OG-CB 3.47Å; S87-K92 PolarHBondContact OG-O 2.89Å; S87-D226 WeakPolarHBondContact CB-O 3.4Å; S87-D226 PolarHBondContact N-O 3.23Å; S87-F227 CarbonylContact O-C 3.57Å; S87-F227 VanDerWaalsContact O-C 3.24Å; S87-F227 WeakPolarHBondContact O-CA 3.33Å; S87-W230 PolarHBondContact O-NE1 3.37Å
88	L	97.5	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.			trans	-100.2	2.3	172.6	-62	174.2	0	0	0	112	I176 F192 Q193 F197 D198 I200 D228	L88-I176 HydrophobicContact CD1-CG2 3.95Å; L88-F192 HydrophobicContact CD1-CB 3.71Å; L88-Q193 HydrophobicContact CB-CB 4.46Å; L88-Q193 WeakPolarHBondContact O-CG 3.3Å; L88-Q193 PolarHBondContact O-NE2 2.96Å; L88-F197 WeakPolarHBondContact CB-O 3.19Å; L88-F197 HydrophobicContact CD1-CB 3.84Å; L88-D198 PolarHBondContact N-O 2.76Å; L88-I200 HydrophobicContact CD1-CB 4.25Å; L88-I200 HydrophobicContact CD2-CG2 4.19Å; L88-I200 HydrophobicContact CG-CB 4.39Å; L88-I200 HydrophobicContact CG-CG2 4.29Å; L88-D228 HydrophobicContact CD2-CB 4.21Å
89	Q	94	Very high	96.1	Very high	47 Å²	47	20.9 Å²	20.9	22%	0.22	11%	0.11	C	C	.	.	S	Bend	trans	-129.9	150.2	-174.7	-57.4	-62.3	-24.9	0	0	112	S87 D91 F197	S87-Q89 PolarHBondContact OG-N 3.2Å; S87-Q89 PolarHBondContact OG-O 3.18Å; Q89-D91 VanDerWaalsContact C-N 3.29Å; Q89-D91 WeakPolarHBondContact CB-OD1 3.32Å; Q89-D91 PolarHBondContact O-N 3.45Å; Q89-F197 PolarHBondContact NE2-O 3.34Å
90	K	91.9	Very high	96.1	Very high	157 Å²	157	20.9 Å²	20.9	68%	0.683	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.2	-177.3	-74.6	176.4	-179.3	-176.7	0	113.6	W230	K90-W230 HydrophobicContact CG-CH2 3.54Å; K90-W230 HydrophobicContact CG-CZ2 4.44Å; K90-W230 HydrophobicContact CG-CZ3 4.28Å
91	D	91.3	Very high	96.1	Very high	52 Å²	52	22.7 Å²	22.7	28%	0.278	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11	-171.7	68.1	-37.7	0	0	0	113.8	Q89 H166 H170	Q89-D91 VanDerWaalsContact C-N 3.29Å; Q89-D91 WeakPolarHBondContact CB-OD1 3.32Å; Q89-D91 PolarHBondContact O-N 3.45Å; D91-H166 PolarHBondContact O-CE1 2.88Å; D91-H170 PolarHBondContact O-CE1 3.34Å; D91-H170 VanDerWaalsContact O-CE1 3.27Å
92	K	93.6	Very high	96.2	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.057	13%	0.134	C	C	.	.	S	Bend	trans	-107.2	98.9	176.4	-69.5	170.8	-175.7	79.5	0	108.5	S87 V98 D198 L199 F227	S87-K92 WeakPolarHBondContact CB-O 3.4Å; S87-K92 WeakPolarHBondContact OG-CB 3.47Å; S87-K92 PolarHBondContact OG-O 2.89Å; K92-V98 HydrophobicContact CD-CG2 4.27Å; K92-D198 HydrophobicContact CD-CB 3.75Å; K92-D198 VanDerWaalsContact CE-OD1 3.23Å; K92-D198 WeakPolarHBondContact CE-OD1 3.45Å; K92-D198 IonicContact NZ-OD1 3.98Å; K92-D198 PolarHBondContact NZ-OD1 3.22Å; K92-L199 HydrophobicContact CD-CD2 4.26Å; K92-F227 WeakPolarHBondContact O-CE1 3.38Å
93	K	94.3	Very high	96.3	Very high	58 Å²	58	27.9 Å²	27.9	25%	0.252	14%	0.143	S	C	.	.			trans	-99.3	155	-169	-58.1	-172.1	-176.9	166.2	0	111.9	G95 D96 I163 H166 V224 F227	K93-G95 PolarHBondContact O-N 3.3Å; K93-D96 PolarHBondContact N-OD2 2.88Å; K93-D96 WeakPolarHBondContact O-CB 3.09Å; K93-D96 PolarHBondContact O-N 2.86Å; K93-I163 PolarHBondContact NZ-O 3.18Å; K93-H166 VanDerWaalsContact CE-NE2 3.33Å; K93-H166 WeakPolarHBondContact CE-NE2 3.34Å; K93-H166 PolarHBondContact NZ-CD2 3.16Å; K93-H166 PolarHBondContact NZ-NE2 2.68Å; K93-V224 VanDerWaalsContact C-CG1 3.5Å; K93-V224 WeakPolarHBondContact O-CB 3.18Å; K93-V224 WeakPolarHBondContact O-CG1 3.47Å; K93-F227 HydrophobicContact CB-CZ 4.16Å; K93-F227 HydrophobicContact CG-CZ 4.04Å
94	P	95.5	Very high	96.5	Very high	46 Å²	46	32.3 Å²	32.3	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	126.4	166.7	-29.9	36.7	0	0	0	111.7	V224 F227 Q245	P94-V224 CarbonylContact C-O 3.58Å; P94-V224 WeakPolarHBondContact CA-O 3.28Å; P94-F227 VanDerWaalsContact CD-CZ 3.41Å; P94-F227 HydrophobicContact CG-CD2 4.08Å; P94-F227 HydrophobicContact CG-CE2 3.94Å; P94-F227 HydrophobicContact CG-CZ 4.45Å; P94-Q245 HydrophobicContact CB-CG 4.09Å
95	G	95.9	Very high	96.7	Very high	8 Å²	8	33.2 Å²	33.2	8%	0.082	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-20	-173.2	0	0	0	0	0	115.1	K93 F97 P167 V224	K93-G95 PolarHBondContact O-N 3.3Å; G95-F97 WeakPolarHBondContact O-CE2 3.46Å; G95-P167 VanDerWaalsContact O-CB 3.31Å; G95-P167 WeakPolarHBondContact O-CB 3.44Å; G95-V224 PolarHBondContact N-O 3.38Å
96	D	96.9	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.			trans	-71.2	161.8	171.8	-69.5	-14	0	0	0	111.6	K93 H166 P167 C168 H170 V224	K93-D96 PolarHBondContact N-OD2 2.88Å; K93-D96 WeakPolarHBondContact O-CB 3.09Å; K93-D96 PolarHBondContact O-N 2.86Å; D96-H166 IonicContact OD1-CE1 2.71Å; D96-H166 IonicContact OD1-CG 2.63Å; D96-H166 IonicContact OD1-ND1 2.83Å; D96-H166 PolarHBondContact OD1-ND1 3.19Å; D96-H166 IonicContact OD2-CE1 3.71Å; D96-H166 PolarHBondContact OD2-CE1 3.49Å; D96-H166 IonicContact OD2-ND1 3.1Å; D96-H166 PolarHBondContact OD2-ND1 2.64Å; D96-P167 WeakPolarHBondContact OD1-CA 3.48Å; D96-C168 WeakPolarHBondContact CA-O 3.37Å; D96-C168 VanDerWaalsContact CG-SG 3.57Å; D96-C168 PolarHBondContact OD1-N 3.44Å; D96-C168 PolarHBondContact OD1-SG 2.94Å; D96-H170 IonicContact OD2-CD2 3.44Å; D96-H170 IonicContact OD2-NE2 3.1Å; D96-H170 PolarHBondContact OD2-NE2 3.44Å; D96-H170 VanDerWaalsContact OD2-NE2 3.1Å; D96-V224 HydrophobicContact CB-CB 4.46Å; D96-V224 HydrophobicContact CB-CG2 4.21Å; D96-V224 PolarHBondContact O-N 2.95Å
97	F	98	Very high	96.8	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.3	173.1	-49.5	-80.8	0	0	0	110.7	G95 C168 V169 H170 I221 A222 I223 Q252 V253 I256	G95-F97 WeakPolarHBondContact O-CE2 3.46Å; F97-C168 PolarHBondContact N-O 2.87Å; F97-V169 HydrophobicContact CB-CG1 4.42Å; F97-V169 HydrophobicContact CB-CG2 4.19Å; F97-V169 HydrophobicContact CD2-CG2 4.03Å; F97-V169 CarbonylContact O-C 3.21Å; F97-V169 WeakPolarHBondContact O-CA 3.41Å; F97-H170 PolarHBondContact O-CD2 3.37Å; F97-H170 PolarHBondContact O-N 2.66Å; F97-I221 HydrophobicContact CB-CD1 4Å; F97-I221 HydrophobicContact CB-CG1 4.03Å; F97-I221 HydrophobicContact CG-CD1 4.43Å; F97-A222 CarbonylContact C-O 3.49Å; F97-A222 WeakPolarHBondContact CA-O 3.49Å; F97-I223 HydrophobicContact CD1-CB 4.46Å; F97-I223 HydrophobicContact CD1-CG1 4.04Å; F97-I223 HydrophobicContact CD1-CG2 4.45Å; F97-I223 HydrophobicContact CE1-CG1 4.13Å; F97-I223 HydrophobicContact CE1-CG2 4.15Å; F97-Q252 HydrophobicContact CE2-CB 4.11Å; F97-Q252 HydrophobicContact CE2-CG 3.73Å; F97-Q252 HydrophobicContact CZ-CB 3.76Å; F97-Q252 HydrophobicContact CZ-CG 3.92Å; F97-V253 HydrophobicContact CD1-CB 4.42Å; F97-V253 HydrophobicContact CE1-CB 3.99Å; F97-I256 HydrophobicContact CD2-CD1 4.47Å
98	V	98.2	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.6	177.5	-172.6	0	0	0	0	110.2	K92 L100 H170 E172 L199 A222 V224	K92-V98 HydrophobicContact CD-CG2 4.27Å; V98-L100 HydrophobicContact CB-CD2 4.43Å; V98-L100 HydrophobicContact CG1-CD2 4.07Å; V98-L100 PolarHBondContact O-N 3.45Å; V98-H170 HydrophobicContact CB-CB 4.3Å; V98-H170 HydrophobicContact CG1-CB 4.07Å; V98-H170 HydrophobicContact CG2-CB 3.99Å; V98-E172 WeakPolarHBondContact CG1-O 3.41Å; V98-L199 HydrophobicContact CB-CD1 3.81Å; V98-L199 HydrophobicContact CG1-CD1 4.25Å; V98-L199 HydrophobicContact CG2-CD1 3.71Å; V98-L199 HydrophobicContact CG2-CD2 4.43Å; V98-L199 HydrophobicContact CG2-CG 4.42Å; V98-A222 HydrophobicContact CB-CB 4.24Å; V98-A222 PolarHBondContact N-O 3.43Å; V98-A222 PolarHBondContact O-N 2.84Å; V98-V224 HydrophobicContact CG2-CG2 4.12Å
99	V	98.7	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	96.2	171.7	-177.3	0	0	0	0	108.3	R139 L142 I143 V169 H170	V99-R139 HydrophobicContact CG1-CB 3.92Å; V99-R139 HydrophobicContact CG1-CG 4.18Å; V99-R139 PolarHBondContact O-NH2 3.19Å; V99-L142 HydrophobicContact CG1-CB 4.27Å; V99-L142 HydrophobicContact CG1-CD1 4.19Å; V99-L142 HydrophobicContact CG2-CB 4.04Å; V99-I143 HydrophobicContact CB-CG1 4.17Å; V99-I143 HydrophobicContact CG1-CG1 4.29Å; V99-I143 HydrophobicContact CG2-CG1 3.97Å; V99-V169 HydrophobicContact CG2-CG1 3.97Å; V99-H170 PolarHBondContact N-O 3.14Å
100	L	98.6	Very high	96.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.			trans	-60.7	141.2	-170.9	-60	178.5	0	0	0	112	V98 F134 R139 V175 L199 L204 S220 A222	V98-L100 HydrophobicContact CB-CD2 4.43Å; V98-L100 HydrophobicContact CG1-CD2 4.07Å; V98-L100 PolarHBondContact O-N 3.45Å; L100-F134 HydrophobicContact CB-CE1 4.06Å; L100-F134 HydrophobicContact CB-CE2 4.06Å; L100-F134 HydrophobicContact CB-CZ 3.56Å; L100-F134 HydrophobicContact CD1-CZ 4.38Å; L100-R139 WeakPolarHBondContact O-CD 3.3Å; L100-R139 PolarHBondContact O-NE 2.8Å; L100-V175 HydrophobicContact CD1-CB 4.36Å; L100-V175 HydrophobicContact CD1-CG1 3.76Å; L100-V175 HydrophobicContact CD2-CB 4.21Å; L100-V175 HydrophobicContact CD2-CG1 4.34Å; L100-L199 HydrophobicContact CD2-CD1 3.93Å; L100-L204 HydrophobicContact CD1-CD1 4.46Å; L100-L204 HydrophobicContact CD1-CD2 4.03Å; L100-S220 PolarHBondContact N-O 3.32Å; L100-A222 HydrophobicContact CD1-CB 4.37Å; L100-A222 HydrophobicContact CD2-CB 4.13Å; L100-A222 HydrophobicContact CG-CB 4.22Å
101	N	98.7	Very high	97	Very high	40 Å²	40	47.1 Å²	47.1	21%	0.214	23%	0.233	C	C	.	.			trans	-123.2	-17.2	172	65	-34.1	0	0	0	113.5	P133 F134 G173	N101-P133 WeakPolarHBondContact O-CD 3.4Å; N101-F134 VanDerWaalsContact C-CD2 3.47Å; N101-F134 VanDerWaalsContact C-CE2 3.43Å; N101-F134 WeakPolarHBondContact O-CD2 3.32Å; N101-G173 PolarHBondContact N-O 2.92Å; N101-G173 VanDerWaalsContact N-O 3.12Å; N101-G173 PolarHBondContact OD1-N 2.8Å; N101-G173 PolarHBondContact OD1-O 2.89Å
102	Q	98.7	Very high	97.2	Very high	64 Å²	64	48.1 Å²	48.1	30%	0.299	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.7	-176.4	-75	-63.2	-25.2	0	0	111.1	A131 G173 S174 V175	Q102-A131 PolarHBondContact NE2-O 3Å; Q102-G173 PolarHBondContact N-O 3.08Å; Q102-S174 WeakPolarHBondContact O-CA 3.45Å; Q102-V175 PolarHBondContact O-N 3.34Å
103	F	98.7	Very high	97.5	Very high	47 Å²	47	49.6 Å²	49.6	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.6	172.3	71.6	-98.8	0	0	0	112.5	D105 M130 P133 V175 L204 V205 V208	F103-D105 HydrophobicContact CD2-CB 4.43Å; F103-D105 HydrophobicContact CE2-CB 4.15Å; F103-M130 HydrophobicContact CE1-CE 3.7Å; F103-M130 HydrophobicContact CZ-CE 3.77Å; F103-P133 HydrophobicContact CD1-CB 4Å; F103-P133 HydrophobicContact CD1-CG 3.61Å; F103-P133 HydrophobicContact CE1-CB 3.47Å; F103-P133 VanDerWaalsContact CE1-CB 3.47Å; F103-P133 HydrophobicContact CE1-CG 3.6Å; F103-V175 CarbonylContact C-O 3.57Å; F103-V175 WeakPolarHBondContact CA-O 3.5Å; F103-V175 HydrophobicContact CB-CG1 3.9Å; F103-V175 WeakPolarHBondContact CB-O 3.29Å; F103-L204 HydrophobicContact CB-CD2 3.61Å; F103-L204 HydrophobicContact CD1-CD2 4.2Å; F103-L204 HydrophobicContact CG-CD2 4.11Å; F103-V205 HydrophobicContact CD2-CG2 3.41Å; F103-V205 VanDerWaalsContact CD2-CG2 3.41Å; F103-V205 HydrophobicContact CE2-CG2 3.53Å; F103-V205 HydrophobicContact CG-CG2 3.99Å; F103-V205 HydrophobicContact CZ-CG2 4.15Å; F103-V208 HydrophobicContact CD1-CG1 3.92Å; F103-V208 HydrophobicContact CE1-CG1 3.53Å; F103-V208 HydrophobicContact CZ-CG1 4.12Å
104	Y	98.7	Very high	97.7	Very high	94 Å²	94	46.9 Å²	46.9	37%	0.369	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.5	164.2	-177.2	-87.2	0	0	0	109.3	N106 V175 I176 T177 W195 F197	Y104-N106 HydrophobicContact CD1-CB 4.19Å; Y104-N106 HydrophobicContact CE1-CB 4.04Å; Y104-V175 PolarHBondContact N-O 3.03Å; Y104-I176 HydrophobicContact CD1-CD1 3.69Å; Y104-I176 HydrophobicContact CD1-CG1 3.94Å; Y104-I176 HydrophobicContact CE1-CD1 4.18Å; Y104-I176 WeakPolarHBondContact O-CA 3.47Å; Y104-T177 PolarHBondContact O-N 3.02Å; Y104-W195 HydrophobicContact CE1-CZ3 4.36Å; Y104-W195 HydrophobicContact CE2-CZ3 4.49Å; Y104-F197 HydrophobicContact CD1-CE2 4.39Å; Y104-F197 HydrophobicContact CD1-CZ 4.12Å; Y104-F197 HydrophobicContact CD2-CE1 4.34Å; Y104-F197 AromaticContact CD2-CZ 3.71Å; Y104-F197 HydrophobicContact CD2-CZ 3.71Å; Y104-F197 HydrophobicContact CG-CE1 4.1Å; Y104-F197 HydrophobicContact CG-CE2 4.15Å; Y104-F197 AromaticContact CG-CZ 3.45Å; Y104-F197 HydrophobicContact CG-CZ 3.45Å; Y104-F197 VanDerWaalsContact CG-CZ 3.45Å
105	D	98.6	Very high	97.8	Very high	58 Å²	58	46.2 Å²	46.2	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.4	179.5	-175.9	12.2	0	0	0	110.4	F103 T107 V205	F103-D105 HydrophobicContact CD2-CB 4.43Å; F103-D105 HydrophobicContact CE2-CB 4.15Å; D105-T107 VanDerWaalsContact OD1-CB 3.23Å; D105-T107 WeakPolarHBondContact OD1-CB 3.37Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.4Å; D105-T107 PolarHBondContact OD1-N 2.83Å; D105-T107 PolarHBondContact OD1-OG1 3.33Å; D105-V205 HydrophobicContact CB-CG1 4.14Å; D105-V205 HydrophobicContact CB-CG2 4.43Å
106	N	98.1	Very high	97.9	Very high	58 Å²	58	46.8 Å²	46.8	31%	0.31	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	27.4	169.9	-163.7	35.6	0	0	0	110.6	Y104 I176 T177	Y104-N106 HydrophobicContact CD1-CB 4.19Å; Y104-N106 HydrophobicContact CE1-CB 4.04Å; N106-I176 HydrophobicContact CB-CD1 4.05Å; N106-I176 HydrophobicContact CB-CG1 4.08Å; N106-T177 CarbonylContact C-O 3.54Å; N106-T177 VanDerWaalsContact CA-O 3.3Å; N106-T177 WeakPolarHBondContact CA-O 3.38Å; N106-T177 WeakPolarHBondContact CB-O 3.25Å; N106-T177 PolarHBondContact N-O 3Å
107	T	98.3	Very high	97.8	Very high	19 Å²	19	52 Å²	52	12%	0.117	27%	0.271	C	S	.	.			trans	-83	158	176.2	71.2	0	0	0	0	111.1	D105 T177 V205	D105-T107 VanDerWaalsContact OD1-CB 3.23Å; D105-T107 WeakPolarHBondContact OD1-CB 3.37Å; D105-T107 VanDerWaalsContact OD1-CG2 3.32Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.4Å; D105-T107 PolarHBondContact OD1-N 2.83Å; D105-T107 PolarHBondContact OD1-OG1 3.33Å; T107-T177 HydrophobicContact CG2-CG2 3.47Å; T107-T177 VanDerWaalsContact CG2-CG2 3.47Å; T107-T177 PolarHBondContact N-O 2.85Å; T107-V205 HydrophobicContact CG2-CB 4.23Å
108	Q	96.9	Very high	97.4	Very high	124 Å²	124	53.1 Å²	53.1	58%	0.579	28%	0.284	S	S	*	.			trans	-141.7	144.5	-178.5	-64.6	-175.2	-29.3	0	0	109.8	R110 N179	Q108-R110 VanDerWaalsContact C-N 3.29Å; Q108-R110 PolarHBondContact O-N 3.03Å; Q108-N179 PolarHBondContact N-OD1 3.35Å; Q108-N179 VanDerWaalsContact N-OD1 3.09Å; Q108-N179 PolarHBondContact O-ND2 3.38Å; Q108-N179 PolarHBondContact O-OD1 3.44Å
109	N	94.6	Very high	97	Very high	166 Å²	166	59.7 Å²	59.7	89%	0.888	33%	0.327	S	S	*	.	S	Bend	trans	57.9	34.7	173.2	-51.4	-42.8	0	0	0	114.6
110	R	96.7	Very high	96.6	Very high	22 Å²	22	62 Å²	62	8%	0.083	35%	0.35	C	S	.	.			trans	-107.1	149.6	172.3	-58.7	180	-172.9	-164.2	-6.5	110	Y64 Q108 L112 N179 M202 V205	Y64-R110 PolarHBondContact OH-NH1 3.23Å; Q108-R110 VanDerWaalsContact C-N 3.29Å; Q108-R110 PolarHBondContact O-N 3.03Å; R110-L112 HydrophobicContact CB-CD2 3.88Å; R110-L112 WeakPolarHBondContact O-CG 3.49Å; R110-L112 PolarHBondContact O-N 2.95Å; R110-L112 VanDerWaalsContact O-N 3.15Å; R110-N179 PolarHBondContact NE-OD1 2.87Å; R110-N179 PolarHBondContact NH2-O 3.36Å; R110-N179 PolarHBondContact NH2-OD1 3.31Å; R110-M202 PolarHBondContact NH1-O 2.78Å; R110-M202 PolarHBondContact NH2-O 2.71Å; R110-V205 PolarHBondContact NH1-O 3.22Å
111	E	97.2	Very high	96.6	Very high	115 Å²	115	63.3 Å²	63.3	54%	0.537	36%	0.36	S	S	.	.			trans	-74.3	99.5	170.9	-68.3	-68.6	158.4	0	0	109.9	R65	R65-E111 HydrophobicContact CG-CB 4.19Å; R65-E111 IonicContact CZ-OE2 3.43Å; R65-E111 IonicContact NH1-OE2 2.91Å; R65-E111 PolarHBondContact NH1-OE2 3.39Å; R65-E111 IonicContact NH2-OE2 3.42Å; R65-E111 PolarHBondContact NH2-OE2 3.38Å
112	L	97.2	Very high	96.5	Very high	74 Å²	74	63.7 Å²	63.7	39%	0.387	36%	0.362	S	S	.	.			trans	-87.1	-14.3	-170.3	-53.6	-178.8	0	0	0	114.9	R110 P206 L210	R110-L112 HydrophobicContact CB-CD2 3.88Å; R110-L112 WeakPolarHBondContact O-CG 3.49Å; R110-L112 PolarHBondContact O-N 2.95Å; R110-L112 VanDerWaalsContact O-N 3.15Å; L112-P206 HydrophobicContact CB-CB 4.3Å; L112-P206 HydrophobicContact CD2-CB 3.65Å; L112-P206 HydrophobicContact CD2-CG 3.9Å; L112-L210 WeakPolarHBondContact O-CD2 3.39Å
113	T	98.5	Very high	96.4	Very high	44 Å²	44	67.7 Å²	67.7	27%	0.27	38%	0.378	S	S	.	.			trans	-141.8	152.8	-173	-175.7	0	0	0	0	112.4	R65 Y115 E213	R65-T113 WeakPolarHBondContact CD-O 3.23Å; R65-T113 PolarHBondContact NH1-O 3Å; T113-Y115 VanDerWaalsContact CG2-O 3.24Å; T113-Y115 WeakPolarHBondContact CG2-O 3.41Å; T113-Y115 PolarHBondContact OG1-N 3.36Å; T113-E213 WeakPolarHBondContact CA-OE2 3.34Å; T113-E213 VanDerWaalsContact CB-OE1 3.22Å; T113-E213 WeakPolarHBondContact CB-OE1 3.32Å; T113-E213 PolarHBondContact OG1-OE1 3.48Å; T113-E213 PolarHBondContact OG1-OE2 2.92Å
114	F	98.6	Very high	96.3	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.374	C	S	.	.	S	Bend	trans	-78.6	-19.1	169.7	-62.2	-61.5	0	0	0	113.3	F28 R65 I68 W69 S121 L122 L210 E213 A214	F28-F114 HydrophobicContact CD1-CD1 4.28Å; F28-F114 AromaticContact CD2-CD1 3.82Å; F28-F114 HydrophobicContact CD2-CD1 3.82Å; F28-F114 AromaticContact CD2-CE1 3.9Å; F28-F114 HydrophobicContact CD2-CE1 3.9Å; F28-F114 HydrophobicContact CE1-CB 4.28Å; F28-F114 AromaticContact CE1-CD1 3.86Å; F28-F114 HydrophobicContact CE1-CD1 3.86Å; F28-F114 AromaticContact CE2-CD1 3.37Å; F28-F114 HydrophobicContact CE2-CD1 3.37Å; F28-F114 AromaticContact CE2-CE1 3.75Å; F28-F114 HydrophobicContact CE2-CE1 3.75Å; F28-F114 HydrophobicContact CE2-CG 4.3Å; F28-F114 HydrophobicContact CG-CD1 4.26Å; F28-F114 HydrophobicContact CZ-CB 3.92Å; F28-F114 AromaticContact CZ-CD1 3.38Å; F28-F114 HydrophobicContact CZ-CD1 3.38Å; F28-F114 HydrophobicContact CZ-CE1 4.23Å; F28-F114 HydrophobicContact CZ-CG 4.03Å; R65-F114 HydrophobicContact CB-CD1 4.04Å; R65-F114 HydrophobicContact CB-CE1 3.67Å; R65-F114 HydrophobicContact CG-CD1 4.08Å; R65-F114 HydrophobicContact CG-CE1 4.03Å; R65-F114 WeakPolarHBondContact O-CE1 3.18Å; I68-F114 HydrophobicContact CB-CZ 4.02Å; I68-F114 HydrophobicContact CG2-CE2 4.22Å; I68-F114 HydrophobicContact CG2-CZ 3.82Å; W69-F114 HydrophobicContact CB-CE1 4.21Å; W69-F114 HydrophobicContact CE3-CD1 4.19Å; W69-F114 HydrophobicContact CE3-CE1 4.03Å; W69-F114 HydrophobicContact CE3-CE2 4.48Å; W69-F114 HydrophobicContact CE3-CG 4.46Å; W69-F114 HydrophobicContact CE3-CZ 4.18Å; F114-S121 WeakPolarHBondContact O-CA 3.38Å; F114-L122 HydrophobicContact CB-CD1 4.06Å; F114-L122 HydrophobicContact CB-CG 4.45Å; F114-L122 PolarHBondContact O-N 3.06Å; F114-L210 HydrophobicContact CD1-CD2 4.14Å; F114-L210 HydrophobicContact CD2-CD2 3.88Å; F114-L210 HydrophobicContact CE1-CD2 4.05Å; F114-L210 HydrophobicContact CE2-CB 4.01Å; F114-L210 HydrophobicContact CE2-CD2 3.76Å; F114-L210 WeakPolarHBondContact CE2-O 3.45Å; F114-L210 HydrophobicContact CG-CD2 4.08Å; F114-L210 HydrophobicContact CZ-CB 4.05Å; F114-L210 HydrophobicContact CZ-CD2 3.86Å; F114-L210 HydrophobicContact CZ-CG 4.48Å; F114-E213 HydrophobicContact CD2-CB 3.75Å; F114-E213 WeakPolarHBondContact CD2-OE2 3.44Å; F114-E213 HydrophobicContact CE2-CB 4.13Å; F114-E213 PolarHBondContact N-OE2 3.12Å; F114-A214 HydrophobicContact CE2-CB 4.06Å
115	Y	98.5	Very high	96.2	Very high	32 Å²	32	64.6 Å²	64.6	13%	0.125	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-105.6	149.2	-167.5	-68.9	-95	0	0	0	113.1	T113 L122 L126	T113-Y115 VanDerWaalsContact CG2-O 3.24Å; T113-Y115 WeakPolarHBondContact CG2-O 3.41Å; T113-Y115 PolarHBondContact OG1-N 3.36Å; Y115-L122 CarbonylContact C-O 3.51Å; Y115-L122 VanDerWaalsContact CA-O 3.31Å; Y115-L122 WeakPolarHBondContact CA-O 3.44Å; Y115-L122 HydrophobicContact CD1-CB 3.77Å; Y115-L122 HydrophobicContact CE1-CB 3.85Å; Y115-L122 HydrophobicContact CE1-CD1 4.11Å; Y115-L122 HydrophobicContact CE2-CD1 4.16Å; Y115-L122 HydrophobicContact CG-CB 4.29Å; Y115-L126 HydrophobicContact CD2-CB 3.75Å; Y115-L126 HydrophobicContact CD2-CD2 3.5Å; Y115-L126 VanDerWaalsContact CD2-CD2 3.5Å; Y115-L126 HydrophobicContact CD2-CG 4.21Å; Y115-L126 HydrophobicContact CE2-CB 4.37Å; Y115-L126 HydrophobicContact CE2-CD2 3.52Å; Y115-L126 HydrophobicContact CE2-CG 4.42Å; Y115-L126 HydrophobicContact CG-CB 3.83Å; Y115-L126 HydrophobicContact CG-CD2 4.41Å
116	G	96.8	Very high	96.2	Very high	20 Å²	20	62.6 Å²	62.6	21%	0.206	36%	0.364	C	S	.	.			trans	166.8	-178.8	173.3	0	0	0	0	0	113.6	L122 G124	G116-L122 PolarHBondContact N-O 2.78Å; G116-G124 WeakPolarHBondContact CA-O 3.22Å; G116-G124 PolarHBondContact N-O 3Å
117	S	94.6	Very high	96.2	Very high	110 Å²	110	65.7 Å²	65.7	77%	0.769	38%	0.377	S	S	*	.	S	Bend	trans	-85.7	-24.3	175.4	59.2	0	0	0	0	112.9	K123	S117-K123 PolarHBondContact O-NZ 2.94Å
118	G	89.8	Confident	96.2	Very high	29 Å²	29	66.2 Å²	66.2	30%	0.299	38%	0.378	S	S	.	.	S	Bend	trans	-68.7	163.1	-175.2	0	0	0	0	0	114.8
119	P	90.6	Very high	96.2	Very high	137 Å²	137	63.6 Å²	63.6	89%	0.89	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	144.4	172	28.2	-34	0	0	0	110.7	S121	P119-S121 VanDerWaalsContact C-N 3.27Å; P119-S121 PolarHBondContact O-N 3.41Å
120	G	90.8	Very high	96.4	Very high	48 Å²	48	58 Å²	58	50%	0.495	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-5.2	-179.5	0	0	0	0	0	115.4	F28	F28-G120 WeakPolarHBondContact CD1-O 3.38Å; F28-G120 WeakPolarHBondContact CE1-O 3.39Å
121	S	96.9	Very high	96.5	Very high	29 Å²	29	60.7 Å²	60.7	20%	0.203	37%	0.367	C	S	.	.	S	Bend	trans	-101	152.2	171.6	-62.2	0	0	0	0	111.7	F114 P119	F114-S121 WeakPolarHBondContact O-CA 3.38Å; P119-S121 VanDerWaalsContact C-N 3.27Å; P119-S121 PolarHBondContact O-N 3.41Å
122	L	97.8	Very high	96.6	Very high	48 Å²	48	60.6 Å²	60.6	25%	0.251	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-64.8	136.7	165.5	-56.7	178.8	0	0	0	109	F28 W69 F114 Y115 G116 G124	F28-L122 HydrophobicContact CE1-CG 4.49Å; F28-L122 HydrophobicContact CZ-CD1 4.29Å; F28-L122 HydrophobicContact CZ-CD2 4.23Å; F28-L122 HydrophobicContact CZ-CG 3.92Å; W69-L122 HydrophobicContact CH2-CD1 3.76Å; W69-L122 HydrophobicContact CH2-CD2 4.46Å; W69-L122 HydrophobicContact CZ3-CD1 3.81Å; F114-L122 HydrophobicContact CB-CD1 4.06Å; F114-L122 HydrophobicContact CB-CG 4.45Å; F114-L122 PolarHBondContact O-N 3.06Å; Y115-L122 CarbonylContact C-O 3.51Å; Y115-L122 VanDerWaalsContact CA-O 3.31Å; Y115-L122 WeakPolarHBondContact CA-O 3.44Å; Y115-L122 HydrophobicContact CD1-CB 3.77Å; Y115-L122 HydrophobicContact CE1-CB 3.85Å; Y115-L122 HydrophobicContact CE1-CD1 4.11Å; Y115-L122 HydrophobicContact CE2-CD1 4.16Å; Y115-L122 HydrophobicContact CG-CB 4.29Å; G116-L122 PolarHBondContact N-O 2.78Å; L122-G124 PolarHBondContact O-N 2.84Å
123	K	96.5	Very high	96.7	Very high	148 Å²	148	57.2 Å²	57.2	64%	0.643	35%	0.353	S	S	*	.	S	Bend	trans	-67.9	127.4	178.9	-65.8	-63.2	-177.3	-178.3	0	110.6	S117 R284	S117-K123 PolarHBondContact O-NZ 2.94Å; K123-R284 PolarHBondContact O-NH2 2.87Å; K123-R284 VanDerWaalsContact O-NH2 3.08Å
124	G	95.7	Very high	96.7	Very high	12 Å²	12	55.5 Å²	55.5	12%	0.124	34%	0.342	C	S	.	.	S	Bend	trans	144.4	175.6	175.3	0	0	0	0	0	112.3	G116 L122 D286	G116-G124 WeakPolarHBondContact CA-O 3.22Å; G116-G124 PolarHBondContact N-O 3Å; L122-G124 PolarHBondContact O-N 2.84Å; G124-D286 WeakPolarHBondContact CA-OD1 3.33Å; G124-D286 WeakPolarHBondContact CA-OD2 3.41Å
125	V	97.3	Very high	96.7	Very high	64 Å²	64	56.3 Å²	56.3	39%	0.388	35%	0.348	S	S	.	.			trans	-121.9	113.2	172.6	-179.4	0	0	0	0	107.1	H127 Q285 D286	V125-H127 WeakPolarHBondContact CG1-NE2 3.21Å; V125-Q285 HydrophobicContact CB-CB 4.35Å; V125-Q285 HydrophobicContact CG1-CB 4.29Å; V125-Q285 PolarHBondContact O-N 3.34Å; V125-D286 PolarHBondContact N-OD1 3.48Å
126	L	98.1	Very high	96.7	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-110.9	118.4	-178.4	-171.7	75.8	0	0	0	109.6	Y115 M128 E213 V280 R284	Y115-L126 HydrophobicContact CD2-CB 3.75Å; Y115-L126 HydrophobicContact CD2-CD2 3.5Å; Y115-L126 VanDerWaalsContact CD2-CD2 3.5Å; Y115-L126 HydrophobicContact CD2-CG 4.21Å; Y115-L126 HydrophobicContact CE2-CB 4.37Å; Y115-L126 HydrophobicContact CE2-CD2 3.52Å; Y115-L126 HydrophobicContact CE2-CG 4.42Å; Y115-L126 HydrophobicContact CG-CB 3.83Å; Y115-L126 HydrophobicContact CG-CD2 4.41Å; L126-M128 HydrophobicContact CD1-SD 3.92Å; L126-M128 HydrophobicContact CD2-CG 3.78Å; L126-M128 HydrophobicContact CD2-SD 3.72Å; L126-M128 HydrophobicContact CG-CG 3.96Å; L126-M128 HydrophobicContact CG-SD 3.82Å; L126-E213 HydrophobicContact CD2-CB 3.88Å; L126-E213 HydrophobicContact CD2-CG 3.57Å; L126-V280 HydrophobicContact CD1-CG1 4.25Å; L126-V280 VanDerWaalsContact CD1-O 3.26Å; L126-V280 WeakPolarHBondContact CD1-O 3.37Å; L126-R284 HydrophobicContact CD1-CG 3.84Å
127	H	98.2	Very high	96.8	Very high	124 Å²	124	63.3 Å²	63.3	57%	0.574	38%	0.376	S	S	*	.			trans	-114.9	86.4	175.9	-72.8	-50.7	0	0	0	110	V125 P129 S283 Q285	V125-H127 WeakPolarHBondContact CG1-NE2 3.21Å; H127-P129 WeakPolarHBondContact O-CD 3.23Å; H127-S283 PolarHBondContact N-O 2.75Å; H127-S283 WeakPolarHBondContact O-CB 3.28Å; H127-Q285 PolarHBondContact CD2-OE1 3.44Å; H127-Q285 PolarHBondContact NE2-OE1 2.97Å
128	M	98.4	Very high	97	Very high	30 Å²	30	58 Å²	58	15%	0.148	34%	0.339	C	S	.	.			trans	-71.8	131.5	-177.5	-70.1	-55.1	-51.3	0	0	112.3	L126 M130 R212 E213 L279 V280	L126-M128 HydrophobicContact CD1-SD 3.92Å; L126-M128 HydrophobicContact CD2-CG 3.78Å; L126-M128 HydrophobicContact CD2-SD 3.72Å; L126-M128 HydrophobicContact CG-CG 3.96Å; L126-M128 HydrophobicContact CG-SD 3.82Å; M128-M130 HydrophobicContact CB-CG 4.5Å; M128-M130 PolarHBondContact O-N 2.96Å; M128-R212 HydrophobicContact CE-CG 3.6Å; M128-E213 HydrophobicContact CG-CG 3.74Å; M128-L279 HydrophobicContact CE-CD2 3.82Å; M128-L279 HydrophobicContact CE-CG 3.68Å; M128-V280 HydrophobicContact SD-CG2 4.46Å
129	P	98.5	Very high	97.4	Very high	68 Å²	68	57.2 Å²	57.2	44%	0.442	33%	0.327	S	S	.	.			trans	-63.7	129.3	163.1	-22.2	34.2	0	0	0	111.1	H127 R212 L279 S283	H127-P129 WeakPolarHBondContact O-CD 3.23Å; P129-R212 PolarHBondContact O-NH1 3.27Å; P129-L279 HydrophobicContact CG-CD1 4.12Å; P129-S283 VanDerWaalsContact CD-OG 3.29Å; P129-S283 WeakPolarHBondContact CD-OG 3.48Å
130	M	98.7	Very high	97.8	Very high	49 Å²	49	55 Å²	55	24%	0.241	31%	0.305	C	S	.	.			trans	-127.6	16.5	-176.4	-71.5	-64.6	-78.5	0	0	113.7	F103 M128 D132 P133 R212	F103-M130 HydrophobicContact CE1-CE 3.7Å; F103-M130 HydrophobicContact CZ-CE 3.77Å; M128-M130 HydrophobicContact CB-CG 4.5Å; M128-M130 PolarHBondContact O-N 2.96Å; M130-D132 PolarHBondContact O-N 3.06Å; M130-P133 HydrophobicContact CE-CB 3.47Å; M130-P133 VanDerWaalsContact CE-CB 3.47Å; M130-P133 WeakPolarHBondContact O-CD 3.31Å; M130-P133 HydrophobicContact SD-CB 4.18Å; M130-R212 HydrophobicContact SD-CB 4.49Å; M130-R212 VanDerWaalsContact SD-CD 3.6Å
131	A	98.4	Very high	98.2	Very high	78 Å²	78	53.4 Å²	53.4	65%	0.645	29%	0.285	S	S	*	.	S	Bend	trans	-53.3	-49.7	-177.9	0	0	0	0	0	112.5	Q102	Q102-A131 PolarHBondContact NE2-O 3Å
132	D	98.5	Very high	98.2	Very high	113 Å²	113	52 Å²	52	60%	0.604	28%	0.276	S	S	*	.	S	Bend	trans	-116.6	95.6	167.7	-61	-68.6	0	0	0	107.2	M130 F134 R212	M130-D132 PolarHBondContact O-N 3.06Å; D132-F134 VanDerWaalsContact C-N 3.33Å; D132-F134 PolarHBondContact O-N 3.26Å; D132-R212 PolarHBondContact O-NH1 2.94Å; D132-R212 PolarHBondContact O-NH2 3.34Å
133	P	98.6	Very high	98.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.019	27%	0.265	C	S	.	.			trans	-79	-10.3	-160.9	26	-33.1	0	0	0	115.5	N101 F103 M130 V208 R212	N101-P133 WeakPolarHBondContact O-CD 3.4Å; F103-P133 HydrophobicContact CD1-CB 4Å; F103-P133 HydrophobicContact CD1-CG 3.61Å; F103-P133 HydrophobicContact CE1-CB 3.47Å; F103-P133 VanDerWaalsContact CE1-CB 3.47Å; F103-P133 HydrophobicContact CE1-CG 3.6Å; M130-P133 HydrophobicContact CE-CB 3.47Å; M130-P133 VanDerWaalsContact CE-CB 3.47Å; M130-P133 WeakPolarHBondContact O-CD 3.31Å; M130-P133 HydrophobicContact SD-CB 4.18Å; P133-V208 HydrophobicContact CB-CG2 4.24Å; P133-V208 WeakPolarHBondContact O-CG2 3.1Å; P133-R212 VanDerWaalsContact O-CZ 3.31Å; P133-R212 PolarHBondContact O-NE 3.45Å; P133-R212 PolarHBondContact O-NH2 3.37Å
134	F	98.8	Very high	98.4	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	26%	0.257	C	S	.	.	S	Bend	trans	-101.9	163.9	-179.6	-60.8	-91.3	0	0	0	111.7	L100 N101 D132 E136 R139 L204 V208 R212 Y218	L100-F134 HydrophobicContact CB-CE1 4.06Å; L100-F134 HydrophobicContact CB-CE2 4.06Å; L100-F134 HydrophobicContact CB-CZ 3.56Å; L100-F134 HydrophobicContact CD1-CZ 4.38Å; N101-F134 VanDerWaalsContact C-CD2 3.47Å; N101-F134 VanDerWaalsContact C-CE2 3.43Å; N101-F134 WeakPolarHBondContact O-CD2 3.32Å; D132-F134 VanDerWaalsContact C-N 3.33Å; D132-F134 PolarHBondContact O-N 3.26Å; F134-E136 PolarHBondContact O-N 2.98Å; F134-R139 HydrophobicContact CB-CG 4.03Å; F134-L204 HydrophobicContact CE1-CD1 3.95Å; F134-L204 HydrophobicContact CZ-CD1 4.03Å; F134-L204 HydrophobicContact CZ-CD2 3.85Å; F134-V208 HydrophobicContact CD1-CG2 4.06Å; F134-V208 HydrophobicContact CE1-CG2 3.98Å; F134-V208 HydrophobicContact CG-CG2 4.48Å; F134-V208 HydrophobicContact CZ-CG2 4.32Å; F134-R212 PolarHBondContact O-NH2 3.33Å; F134-Y218 AromaticContact CD1-CD1 3.79Å; F134-Y218 HydrophobicContact CD1-CD1 3.79Å; F134-Y218 AromaticContact CD1-CE1 3.99Å; F134-Y218 HydrophobicContact CD1-CE1 3.99Å; F134-Y218 HydrophobicContact CE1-CD1 4.06Å; F134-Y218 AromaticContact CE1-CE1 3.78Å; F134-Y218 HydrophobicContact CE1-CE1 3.78Å
135	C	98.8	Very high	98.5	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.115	25%	0.251	C	S	.	.			trans	-79.9	108	169.1	175.6	0	0	0	0	109.7	E137 T138 R139 Y218	C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.97Å; C135-T138 PolarHBondContact O-N 3.37Å; C135-T138 PolarHBondContact SG-OG1 3.09Å; C135-R139 WeakPolarHBondContact O-CG 3.4Å; C135-R139 PolarHBondContact O-N 3.16Å; C135-Y218 PolarHBondContact N-O 3.42Å
136	E	98.7	Very high	98.6	Very high	95 Å²	95	44.6 Å²	44.6	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-42.8	-175.1	-179.6	53.8	-155.9	0	0	112.9	F134 T138 R139 Q140	F134-E136 PolarHBondContact O-N 2.98Å; E136-T138 VanDerWaalsContact C-N 3.26Å; E136-T138 PolarHBondContact O-N 2.93Å; E136-R139 WeakPolarHBondContact O-CB 3.12Å; E136-R139 PolarHBondContact O-N 3.42Å; E136-R139 VanDerWaalsContact O-N 3.15Å; E136-R139 IonicContact OE1-NH1 3.49Å; E136-R139 PolarHBondContact OE1-NH1 2.88Å; E136-R139 IonicContact OE2-CZ 3.95Å; E136-R139 IonicContact OE2-NE 3.52Å; E136-R139 IonicContact OE2-NH1 2.67Å; E136-R139 PolarHBondContact OE2-NH1 3.17Å; E136-Q140 WeakPolarHBondContact O-CG 3.45Å; E136-Q140 PolarHBondContact O-N 3.24Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.37Å; E136-Q140 PolarHBondContact OE1-NE2 3.33Å
137	E	98.7	Very high	98.5	Very high	103 Å²	103	49.6 Å²	49.6	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-39.9	176.3	-65.9	-177.2	-94.3	0	0	111.7	C135 Q140 V141 W269 T272	C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.97Å; E137-Q140 PolarHBondContact O-N 3.5Å; E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 3.47Å; E137-V141 VanDerWaalsContact O-N 3.11Å; E137-W269 HydrophobicContact CB-CH2 3.86Å; E137-W269 HydrophobicContact CB-CZ3 3.6Å; E137-T272 WeakPolarHBondContact OE1-CB 3.46Å; E137-T272 WeakPolarHBondContact OE1-CG2 3.36Å; E137-T272 PolarHBondContact OE1-OG1 2.79Å
138	T	98.8	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-36	178.1	-53.6	0	0	0	0	111.7	H78 L80 C135 E136 Q140 V141 L142 A219 I264	H78-T138 PolarHBondContact CD2-OG1 3.32Å; L80-T138 HydrophobicContact CD2-CG2 3.55Å; C135-T138 PolarHBondContact O-N 3.37Å; C135-T138 PolarHBondContact SG-OG1 3.09Å; E136-T138 VanDerWaalsContact C-N 3.26Å; E136-T138 PolarHBondContact O-N 2.93Å; T138-Q140 VanDerWaalsContact C-N 3.34Å; T138-V141 WeakPolarHBondContact O-CB 3.3Å; T138-V141 PolarHBondContact O-N 3.26Å; T138-L142 PolarHBondContact O-N 3.38Å; T138-L142 VanDerWaalsContact O-N 3.15Å; T138-A219 HydrophobicContact CG2-CB 3.6Å; T138-I264 HydrophobicContact CG2-CD1 4.38Å
139	R	98.8	Very high	98.5	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.045	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-45.7	172	-66.8	-179.3	66.5	-102.8	-10.2	111.4	V99 L100 F134 C135 E136 V141 L142 I143 T171 A219	V99-R139 HydrophobicContact CG1-CB 3.92Å; V99-R139 HydrophobicContact CG1-CG 4.18Å; V99-R139 PolarHBondContact O-NH2 3.19Å; L100-R139 WeakPolarHBondContact O-CD 3.3Å; L100-R139 PolarHBondContact O-NE 2.8Å; F134-R139 HydrophobicContact CB-CG 4.03Å; C135-R139 WeakPolarHBondContact O-CG 3.4Å; C135-R139 PolarHBondContact O-N 3.16Å; E136-R139 WeakPolarHBondContact O-CB 3.12Å; E136-R139 PolarHBondContact O-N 3.42Å; E136-R139 VanDerWaalsContact O-N 3.15Å; E136-R139 IonicContact OE1-NH1 3.49Å; E136-R139 PolarHBondContact OE1-NH1 2.88Å; E136-R139 IonicContact OE2-CZ 3.95Å; E136-R139 IonicContact OE2-NE 3.52Å; E136-R139 IonicContact OE2-NH1 2.67Å; E136-R139 PolarHBondContact OE2-NH1 3.17Å; R139-V141 PolarHBondContact O-N 3.27Å; R139-L142 WeakPolarHBondContact O-CB 3.45Å; R139-L142 PolarHBondContact O-N 2.63Å; R139-L142 VanDerWaalsContact O-N 3.1Å; R139-I143 WeakPolarHBondContact O-CG1 3.2Å; R139-I143 PolarHBondContact O-N 3.4Å; R139-I143 VanDerWaalsContact O-N 3.07Å; R139-T171 PolarHBondContact NH2-O 3.35Å; R139-A219 HydrophobicContact CG-CB 4.18Å
140	Q	98.7	Very high	98.4	Very high	89 Å²	89	50.7 Å²	50.7	42%	0.416	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-31.5	177	-66.9	-56.3	-34.1	0	0	112.2	E136 E137 T138 I143 K144	E136-Q140 WeakPolarHBondContact O-CG 3.45Å; E136-Q140 PolarHBondContact O-N 3.24Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.37Å; E136-Q140 PolarHBondContact OE1-NE2 3.33Å; E137-Q140 PolarHBondContact O-N 3.5Å; T138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-I143 PolarHBondContact O-N 3.49Å; Q140-K144 VanDerWaalsContact O-CB 3.25Å; Q140-K144 WeakPolarHBondContact O-CB 3.46Å; Q140-K144 PolarHBondContact O-N 2.97Å
141	V	98.7	Very high	98.3	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-42.9	171.6	173.2	0	0	0	0	112.1	E137 T138 R139 I143 K144 A145 A260 L263 I264 W269	E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 3.47Å; E137-V141 VanDerWaalsContact O-N 3.11Å; T138-V141 WeakPolarHBondContact O-CB 3.3Å; T138-V141 PolarHBondContact O-N 3.26Å; R139-V141 PolarHBondContact O-N 3.27Å; V141-I143 PolarHBondContact O-N 2.98Å; V141-K144 PolarHBondContact O-N 3.41Å; V141-A145 WeakPolarHBondContact O-CB 3.33Å; V141-A145 PolarHBondContact O-N 3.47Å; V141-A260 HydrophobicContact CG1-CB 4Å; V141-A260 WeakPolarHBondContact CG1-O 3.49Å; V141-L263 HydrophobicContact CG1-CB 3.64Å; V141-L263 HydrophobicContact CG1-CD1 4.19Å; V141-I264 HydrophobicContact CG1-CG1 3.96Å; V141-W269 HydrophobicContact CG2-CH2 4.29Å; V141-W269 HydrophobicContact CG2-CZ2 4.15Å
142	L	98.6	Very high	98.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-43.7	175.2	-73.6	169.7	0	0	0	111.8	L80 V99 T138 R139 K144 A145 A146 A219 I221 I256 L257 A260	L80-L142 HydrophobicContact CD2-CD1 4.42Å; L80-L142 HydrophobicContact CD2-CD2 4.28Å; L80-L142 HydrophobicContact CD2-CG 4.33Å; V99-L142 HydrophobicContact CG1-CB 4.27Å; V99-L142 HydrophobicContact CG1-CD1 4.19Å; V99-L142 HydrophobicContact CG2-CB 4.04Å; T138-L142 PolarHBondContact O-N 3.38Å; T138-L142 VanDerWaalsContact O-N 3.15Å; R139-L142 WeakPolarHBondContact O-CB 3.45Å; R139-L142 PolarHBondContact O-N 2.63Å; R139-L142 VanDerWaalsContact O-N 3.1Å; L142-K144 PolarHBondContact O-N 2.84Å; L142-A145 WeakPolarHBondContact O-CB 3.43Å; L142-A145 PolarHBondContact O-N 3.38Å; L142-A146 PolarHBondContact O-N 3.01Å; L142-A219 HydrophobicContact CD1-CB 3.67Å; L142-I221 HydrophobicContact CD1-CB 4.42Å; L142-I256 HydrophobicContact CD2-CG2 4.17Å; L142-L257 HydrophobicContact CD2-CD2 3.88Å; L142-A260 HydrophobicContact CD2-CB 3.83Å
143	I	98.6	Very high	98	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177	-63.7	164.4	0	0	0	110.5	V99 R139 Q140 V141 A146 K147 T171	V99-I143 HydrophobicContact CB-CG1 4.17Å; V99-I143 HydrophobicContact CG1-CG1 4.29Å; V99-I143 HydrophobicContact CG2-CG1 3.97Å; R139-I143 WeakPolarHBondContact O-CG1 3.2Å; R139-I143 PolarHBondContact O-N 3.4Å; R139-I143 VanDerWaalsContact O-N 3.07Å; Q140-I143 PolarHBondContact O-N 3.49Å; V141-I143 PolarHBondContact O-N 2.98Å; I143-A146 PolarHBondContact O-N 2.74Å; I143-K147 HydrophobicContact CG2-CD 4.48Å; I143-K147 WeakPolarHBondContact O-CG 3.18Å; I143-K147 PolarHBondContact O-N 2.85Å; I143-T171 HydrophobicContact CD1-CG2 4.14Å; I143-T171 HydrophobicContact CG1-CG2 4.33Å; I143-T171 HydrophobicContact CG2-CG2 4Å
144	K	98.5	Very high	97.7	Very high	112 Å²	112	46 Å²	46	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-38.4	176.1	-175.5	176.2	179.2	178.5	0	112.1	Q140 V141 L142 K147 N148 L263	Q140-K144 VanDerWaalsContact O-CB 3.25Å; Q140-K144 WeakPolarHBondContact O-CB 3.46Å; Q140-K144 PolarHBondContact O-N 2.97Å; V141-K144 PolarHBondContact O-N 3.41Å; L142-K144 PolarHBondContact O-N 2.84Å; K144-K147 WeakPolarHBondContact O-CB 3.34Å; K144-K147 PolarHBondContact O-N 3.47Å; K144-N148 PolarHBondContact O-N 2.87Å; K144-N148 PolarHBondContact O-OD1 2.92Å; K144-L263 HydrophobicContact CB-CD1 4.17Å; K144-L263 HydrophobicContact CD-CD1 4.17Å; K144-L263 HydrophobicContact CD-CD2 4.39Å; K144-L263 HydrophobicContact CG-CD1 3.93Å
145	A	98.6	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-45.3	175.2	0	0	0	0	0	111.2	V141 L142 K147 N148 L149 I256 E259 A260 L263	V141-A145 WeakPolarHBondContact O-CB 3.33Å; V141-A145 PolarHBondContact O-N 3.47Å; L142-A145 WeakPolarHBondContact O-CB 3.43Å; L142-A145 PolarHBondContact O-N 3.38Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 2.9Å; A145-N148 PolarHBondContact O-N 2.85Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.47Å; A145-L149 VanDerWaalsContact O-N 3.16Å; A145-I256 HydrophobicContact CB-CG2 4.19Å; A145-I256 WeakPolarHBondContact CB-O 3.48Å; A145-E259 HydrophobicContact CB-CB 4Å; A145-E259 HydrophobicContact CB-CG 3.86Å; A145-A260 HydrophobicContact CB-CB 3.94Å; A145-L263 HydrophobicContact CB-CD1 4.07Å
146	A	98.3	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-42.1	174.1	0	0	0	0	0	112.6	L142 I143 L149 S150 L151 I153 V169 I256	L142-A146 PolarHBondContact O-N 3.01Å; I143-A146 PolarHBondContact O-N 2.74Å; A146-L149 CarbonylContact O-C 3.59Å; A146-L149 PolarHBondContact O-N 3.31Å; A146-S150 PolarHBondContact O-N 3.23Å; A146-L151 HydrophobicContact CB-CB 4.4Å; A146-L151 HydrophobicContact CB-CD1 4.08Å; A146-L151 WeakPolarHBondContact O-CB 3.4Å; A146-L151 PolarHBondContact O-N 2.95Å; A146-L151 VanDerWaalsContact O-N 3.1Å; A146-I153 HydrophobicContact CB-CD1 3.74Å; A146-V169 HydrophobicContact CB-CB 4.18Å; A146-V169 HydrophobicContact CB-CG1 4.25Å; A146-V169 HydrophobicContact CB-CG2 3.73Å; A146-I256 HydrophobicContact CB-CD1 4.49Å
147	K	97.7	Very high	95.6	Very high	120 Å²	120	56.7 Å²	56.7	52%	0.522	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-43.5	174.5	-72.4	175.2	179.6	178.5	0	112.5	I143 K144 A145 L149 S150 I153	I143-K147 HydrophobicContact CG2-CD 4.48Å; I143-K147 WeakPolarHBondContact O-CG 3.18Å; I143-K147 PolarHBondContact O-N 2.85Å; K144-K147 WeakPolarHBondContact O-CB 3.34Å; K144-K147 PolarHBondContact O-N 3.47Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 2.9Å; K147-L149 PolarHBondContact O-N 3.37Å; K147-S150 PolarHBondContact O-N 3.36Å; K147-I153 HydrophobicContact CD-CG1 4.42Å; K147-I153 HydrophobicContact CG-CD1 3.96Å; K147-I153 HydrophobicContact CG-CG1 3.57Å
148	N	98.2	Very high	94.5	Very high	79 Å²	79	54.2 Å²	54.2	42%	0.422	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-27.2	177.7	-76.5	1.1	0	0	0	112.7	K144 A145 S150 E259	K144-N148 PolarHBondContact O-N 2.87Å; K144-N148 PolarHBondContact O-OD1 2.92Å; A145-N148 PolarHBondContact O-N 2.85Å; N148-S150 VanDerWaalsContact C-N 3.26Å; N148-E259 HydrophobicContact CB-CG 4.15Å; N148-E259 PolarHBondContact ND2-OE1 3.14Å
149	L	97.6	Very high	93.1	Very high	55 Å²	55	57.5 Å²	57.5	29%	0.288	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.8	175.5	-64	168.7	0	0	0	112.8	A145 A146 K147 L151 E255 I256 E259	A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.47Å; A145-L149 VanDerWaalsContact O-N 3.16Å; A146-L149 CarbonylContact O-C 3.59Å; A146-L149 PolarHBondContact O-N 3.31Å; K147-L149 PolarHBondContact O-N 3.37Å; L149-L151 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CB-CG 4.13Å; L149-L151 PolarHBondContact O-N 2.96Å; L149-L151 VanDerWaalsContact O-N 3.17Å; L149-E255 HydrophobicContact CD1-CB 3.8Å; L149-E255 HydrophobicContact CD2-CB 4.42Å; L149-I256 HydrophobicContact CD1-CB 4.39Å; L149-I256 HydrophobicContact CD1-CG1 3.88Å; L149-E259 HydrophobicContact CD1-CB 4.41Å
150	S	96.6	Very high	91.4	Very high	112 Å²	112	60.9 Å²	60.9	78%	0.783	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	27.8	-179.4	-55.4	0	0	0	0	114.2	A146 K147 N148	A146-S150 PolarHBondContact O-N 3.23Å; K147-S150 PolarHBondContact O-N 3.36Å; N148-S150 VanDerWaalsContact C-N 3.26Å
151	L	95.9	Very high	89.6	Confident	32 Å²	32	62.9 Å²	62.9	17%	0.168	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-75.9	147.5	174.8	-59.3	174.5	0	0	0	110.9	A146 L149 I153 V169 Q252 I256	A146-L151 HydrophobicContact CB-CB 4.4Å; A146-L151 HydrophobicContact CB-CD1 4.08Å; A146-L151 WeakPolarHBondContact O-CB 3.4Å; A146-L151 PolarHBondContact O-N 2.95Å; A146-L151 VanDerWaalsContact O-N 3.1Å; L149-L151 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CB-CG 4.13Å; L149-L151 PolarHBondContact O-N 2.96Å; L149-L151 VanDerWaalsContact O-N 3.17Å; L151-I153 PolarHBondContact O-N 3.04Å; L151-V169 HydrophobicContact CB-CG2 4.33Å; L151-V169 HydrophobicContact CD1-CG2 4.1Å; L151-Q252 HydrophobicContact CD1-CG 3.94Å; L151-Q252 HydrophobicContact CD2-CG 4.01Å; L151-Q252 VanDerWaalsContact CD2-OE1 3.26Å; L151-I256 HydrophobicContact CD1-CD1 3.58Å; L151-I256 HydrophobicContact CD1-CG1 3.72Å
152	T	95	Very high	87.6	Confident	57 Å²	57	64.7 Å²	64.7	35%	0.35	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.8	173.4	-63	0	0	0	0	109.4	N165 C168 V169	T152-N165 HydrophobicContact CG2-CB 3.83Å; T152-C168 HydrophobicContact CG2-CB 3.79Å; T152-C168 CarbonylContact O-C 3.51Å; T152-C168 VanDerWaalsContact O-CA 3.28Å; T152-C168 WeakPolarHBondContact O-CA 3.44Å; T152-C168 WeakPolarHBondContact O-CB 3.43Å; T152-V169 PolarHBondContact O-N 3.26Å
153	I	95.1	Very high	85.8	Confident	39 Å²	39	70 Å²	70	20%	0.2	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.2	175.4	-54.6	-55.9	0	0	0	109.5	A146 K147 L151 V169 T171	A146-I153 HydrophobicContact CB-CD1 3.74Å; K147-I153 HydrophobicContact CD-CG1 4.42Å; K147-I153 HydrophobicContact CG-CD1 3.96Å; K147-I153 HydrophobicContact CG-CG1 3.57Å; L151-I153 PolarHBondContact O-N 3.04Å; I153-V169 WeakPolarHBondContact CA-O 3.29Å; I153-V169 HydrophobicContact CD1-CB 3.96Å; I153-T171 HydrophobicContact CG2-CG2 3.36Å
154	R	93.6	Very high	84.3	Confident	15 Å²	15	74.5 Å²	74.5	6%	0.057	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.1	169.5	-68.9	-166.9	-174.1	-143.8	1.1	111	T162 N165 H166 C168 V169 H170 T171	R154-T162 PolarHBondContact NH1-O 3.44Å; R154-T162 PolarHBondContact NH2-O 2.8Å; R154-N165 PolarHBondContact NH2-O 2.87Å; R154-N165 VanDerWaalsContact NH2-O 3.13Å; R154-H166 PolarHBondContact NH2-NE2 2.75Å; R154-C168 WeakPolarHBondContact CD-SG 3.47Å; R154-C168 HydrophobicContact CG-CB 4.08Å; R154-C168 PolarHBondContact NE-SG 2.91Å; R154-C168 VanDerWaalsContact NE-SG 3.45Å; R154-V169 PolarHBondContact N-O 3Å; R154-H170 CarbonylContact O-C 3.49Å; R154-H170 VanDerWaalsContact O-CA 3.27Å; R154-H170 WeakPolarHBondContact O-CA 3.38Å; R154-T171 WeakPolarHBondContact O-CG2 3.3Å; R154-T171 PolarHBondContact O-N 2.9Å; R154-T171 PolarHBondContact O-OG1 3.27Å
155	D	90.5	Very high	83.5	Confident	66 Å²	66	73 Å²	73	35%	0.353	41%	0.414	S	S	.	.			trans	-120	176.7	170.1	64.4	37.2	0	0	0	110.4	T157 C158 T171	D155-T157 PolarHBondContact O-N 2.88Å; D155-T157 WeakPolarHBondContact OD1-CA 3.4Å; D155-T157 VanDerWaalsContact OD1-CB 3.31Å; D155-T157 WeakPolarHBondContact OD1-CB 3.4Å; D155-T157 PolarHBondContact OD1-N 3.33Å; D155-T157 PolarHBondContact OD1-OG1 2.84Å; D155-C158 PolarHBondContact N-SG 2.79Å; D155-C158 VanDerWaalsContact N-SG 3.4Å; D155-C158 VanDerWaalsContact O-CB 3.23Å; D155-C158 WeakPolarHBondContact O-CB 3.48Å; D155-C158 PolarHBondContact O-N 3.29Å; D155-C158 PolarHBondContact O-SG 2.99Å; D155-C158 PolarHBondContact OD1-N 2.77Å; D155-T171 WeakPolarHBondContact CA-OG1 2.87Å; D155-T171 HydrophobicContact CB-CG2 4.21Å; D155-T171 VanDerWaalsContact CB-OG1 3.25Å; D155-T171 WeakPolarHBondContact CB-OG1 3.46Å
156	K	80.7	Confident	83.1	Confident	164 Å²	164	75.4 Å²	75.4	71%	0.713	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-13.8	179.7	64	-174	177.1	-168.1	0	116	E172	K156-E172 WeakPolarHBondContact CB-OE1 3.32Å
157	T	80.3	Confident	82.9	Confident	116 Å²	116	79.2 Å²	79.2	71%	0.712	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.4	177.2	74.7	0	0	0	0	112.1	D155	D155-T157 PolarHBondContact O-N 2.88Å; D155-T157 WeakPolarHBondContact OD1-CA 3.4Å; D155-T157 VanDerWaalsContact OD1-CB 3.31Å; D155-T157 WeakPolarHBondContact OD1-CB 3.4Å; D155-T157 PolarHBondContact OD1-N 3.33Å; D155-T157 PolarHBondContact OD1-OG1 2.84Å
158	C	75.7	Confident	82.8	Confident	52 Å²	52	73.6 Å²	73.6	35%	0.351	43%	0.426	S	S	.	.	S	Bend	trans	-69.8	129.2	175.5	-61.4	0	0	0	0	110.1	D155	D155-C158 PolarHBondContact N-SG 2.79Å; D155-C158 VanDerWaalsContact N-SG 3.4Å; D155-C158 VanDerWaalsContact O-CB 3.23Å; D155-C158 WeakPolarHBondContact O-CB 3.48Å; D155-C158 PolarHBondContact O-N 3.29Å; D155-C158 PolarHBondContact O-SG 2.99Å; D155-C158 PolarHBondContact OD1-N 2.77Å
159	S	69.8	Low	82.8	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	41%	0.406	S	S	.	.			trans	-68.1	143.1	175.1	63.2	0	0	0	0	111	D161 T162	S159-D161 PolarHBondContact O-N 2.95Å; S159-T162 PolarHBondContact O-N 3.06Å; S159-T162 PolarHBondContact O-OG1 2.63Å
160	S	62.8	Low	82.8	Confident	83 Å²	83	67.7 Å²	67.7	58%	0.58	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-26.8	174.6	52.4	0	0	0	0	113.2	T162	S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.84Å
161	D	60.1	Low	82.8	Confident	130 Å²	130	63.4 Å²	63.4	70%	0.695	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.4	-170.6	-60	-12.3	0	0	0	113.4	S159 I163	S159-D161 PolarHBondContact O-N 2.95Å; D161-I163 PolarHBondContact O-N 2.93Å
162	T	58.3	Low	82.9	Confident	54 Å²	54	65.3 Å²	65.3	33%	0.331	37%	0.371	S	S	.	.			trans	-74	64.2	167.9	46.1	0	0	0	0	110.1	R154 S159 S160 S164	R154-T162 PolarHBondContact NH1-O 3.44Å; R154-T162 PolarHBondContact NH2-O 2.8Å; S159-T162 PolarHBondContact O-N 3.06Å; S159-T162 PolarHBondContact O-OG1 2.63Å; S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 2.84Å; T162-S164 PolarHBondContact O-N 3.33Å
163	I	59.6	Low	83	Confident	112 Å²	112	62.7 Å²	62.7	57%	0.574	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	-175.8	-69.3	174.5	0	0	0	112.3	K93 D161 H166	K93-I163 PolarHBondContact NZ-O 3.18Å; D161-I163 PolarHBondContact O-N 2.93Å; I163-H166 PolarHBondContact O-CD2 2.9Å; I163-H166 VanDerWaalsContact O-CD2 3.22Å
164	S	66.9	Low	83.2	Confident	98 Å²	98	61.8 Å²	61.8	69%	0.685	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.7	-167.2	59.2	0	0	0	0	116.6	T162 H166	T162-S164 PolarHBondContact O-N 3.33Å; S164-H166 PolarHBondContact O-N 3.38Å
165	N	83.5	Confident	83.4	Confident	81 Å²	81	61.1 Å²	61.1	43%	0.433	35%	0.35	S	S	.	.			trans	-108	68.1	-169.1	-57.7	-9.2	0	0	0	111.2	T152 R154	T152-N165 HydrophobicContact CG2-CB 3.83Å; R154-N165 PolarHBondContact NH2-O 2.87Å; R154-N165 VanDerWaalsContact NH2-O 3.13Å
166	H	89.7	Confident	83.8	Confident	50 Å²	50	58 Å²	58	23%	0.231	33%	0.334	C	S	.	.			trans	-120.1	153	170.3	-63.3	-90.6	0	0	0	109.5	D91 K93 D96 R154 I163 S164	D91-H166 PolarHBondContact O-CE1 2.88Å; K93-H166 VanDerWaalsContact CE-NE2 3.33Å; K93-H166 WeakPolarHBondContact CE-NE2 3.34Å; K93-H166 PolarHBondContact NZ-CD2 3.16Å; K93-H166 PolarHBondContact NZ-NE2 2.68Å; D96-H166 IonicContact OD1-CE1 2.71Å; D96-H166 IonicContact OD1-CG 2.63Å; D96-H166 IonicContact OD1-ND1 2.83Å; D96-H166 PolarHBondContact OD1-ND1 3.19Å; D96-H166 IonicContact OD2-CE1 3.71Å; D96-H166 PolarHBondContact OD2-CE1 3.49Å; D96-H166 IonicContact OD2-ND1 3.1Å; D96-H166 PolarHBondContact OD2-ND1 2.64Å; R154-H166 PolarHBondContact NH2-NE2 2.75Å; I163-H166 PolarHBondContact O-CD2 2.9Å; I163-H166 VanDerWaalsContact O-CD2 3.22Å; S164-H166 PolarHBondContact O-N 3.38Å
167	P	94.1	Very high	84.7	Confident	79 Å²	79	50.1 Å²	50.1	51%	0.513	30%	0.3	S	S	.	.	S	Bend	cis	-68.2	151.1	-4.7	30.5	-35.6	0	0	0	112	G95 D96	G95-P167 VanDerWaalsContact O-CB 3.31Å; G95-P167 WeakPolarHBondContact O-CB 3.44Å; D96-P167 WeakPolarHBondContact OD1-CA 3.48Å
168	C	95.2	Very high	85.5	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	168.2	178	67	0	0	0	0	112.5	D96 F97 T152 R154 H170	D96-C168 WeakPolarHBondContact CA-O 3.37Å; D96-C168 VanDerWaalsContact CG-SG 3.57Å; D96-C168 PolarHBondContact OD1-N 3.44Å; D96-C168 PolarHBondContact OD1-SG 2.94Å; F97-C168 PolarHBondContact N-O 2.87Å; T152-C168 HydrophobicContact CG2-CB 3.79Å; T152-C168 CarbonylContact O-C 3.51Å; T152-C168 VanDerWaalsContact O-CA 3.28Å; T152-C168 WeakPolarHBondContact O-CA 3.44Å; T152-C168 WeakPolarHBondContact O-CB 3.43Å; R154-C168 WeakPolarHBondContact CD-SG 3.47Å; R154-C168 HydrophobicContact CG-CB 4.08Å; R154-C168 PolarHBondContact NE-SG 2.91Å; R154-C168 VanDerWaalsContact NE-SG 3.45Å; C168-H170 PolarHBondContact SG-NE2 2.97Å; C168-H170 VanDerWaalsContact SG-NE2 3.36Å
169	V	97.7	Very high	86.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.7	172.8	-174.4	0	0	0	0	109.1	F97 V99 A146 L151 T152 I153 R154 I256	F97-V169 HydrophobicContact CB-CG1 4.42Å; F97-V169 HydrophobicContact CB-CG2 4.19Å; F97-V169 HydrophobicContact CD2-CG2 4.03Å; F97-V169 CarbonylContact O-C 3.21Å; F97-V169 WeakPolarHBondContact O-CA 3.41Å; V99-V169 HydrophobicContact CG2-CG1 3.97Å; A146-V169 HydrophobicContact CB-CB 4.18Å; A146-V169 HydrophobicContact CB-CG1 4.25Å; A146-V169 HydrophobicContact CB-CG2 3.73Å; L151-V169 HydrophobicContact CB-CG2 4.33Å; L151-V169 HydrophobicContact CD1-CG2 4.1Å; T152-V169 PolarHBondContact O-N 3.26Å; I153-V169 WeakPolarHBondContact CA-O 3.29Å; I153-V169 HydrophobicContact CD1-CB 3.96Å; R154-V169 PolarHBondContact N-O 3Å; V169-I256 HydrophobicContact CG2-CD1 4.26Å
170	H	97.4	Very high	87.9	Confident	10 Å²	10	42 Å²	42	5%	0.046	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.9	172.1	-61.8	-100.9	0	0	0	109.6	D91 D96 F97 V98 V99 R154 C168 E172	D91-H170 PolarHBondContact O-CE1 3.34Å; D91-H170 VanDerWaalsContact O-CE1 3.27Å; D96-H170 IonicContact OD2-CD2 3.44Å; D96-H170 IonicContact OD2-NE2 3.1Å; D96-H170 PolarHBondContact OD2-NE2 3.44Å; D96-H170 VanDerWaalsContact OD2-NE2 3.1Å; F97-H170 PolarHBondContact O-CD2 3.37Å; F97-H170 PolarHBondContact O-N 2.66Å; V98-H170 HydrophobicContact CB-CB 4.3Å; V98-H170 HydrophobicContact CG1-CB 4.07Å; V98-H170 HydrophobicContact CG2-CB 3.99Å; V99-H170 PolarHBondContact N-O 3.14Å; R154-H170 CarbonylContact O-C 3.49Å; R154-H170 VanDerWaalsContact O-CA 3.27Å; R154-H170 WeakPolarHBondContact O-CA 3.38Å; C168-H170 PolarHBondContact SG-NE2 2.97Å; C168-H170 VanDerWaalsContact SG-NE2 3.36Å; H170-E172 VanDerWaalsContact C-N 3.29Å; H170-E172 PolarHBondContact O-N 2.65Å
171	T	97.7	Very high	89.5	Confident	22 Å²	22	42 Å²	42	14%	0.135	25%	0.245	C	C	.	.	S	Bend	trans	-79.7	-9.6	-173.9	60.1	0	0	0	0	114	R139 I143 I153 R154 D155	R139-T171 PolarHBondContact NH2-O 3.35Å; I143-T171 HydrophobicContact CD1-CG2 4.14Å; I143-T171 HydrophobicContact CG1-CG2 4.33Å; I143-T171 HydrophobicContact CG2-CG2 4Å; I153-T171 HydrophobicContact CG2-CG2 3.36Å; R154-T171 WeakPolarHBondContact O-CG2 3.3Å; R154-T171 PolarHBondContact O-N 2.9Å; R154-T171 PolarHBondContact O-OG1 3.27Å; D155-T171 WeakPolarHBondContact CA-OG1 2.87Å; D155-T171 HydrophobicContact CB-CG2 4.21Å; D155-T171 VanDerWaalsContact CB-OG1 3.25Å; D155-T171 WeakPolarHBondContact CB-OG1 3.46Å
172	E	97.8	Very high	91.3	Very high	71 Å²	71	42.4 Å²	42.4	33%	0.332	24%	0.237	S	C	.	.			trans	-152.7	159.4	178.1	57.2	-177.8	-144.3	0	0	109.9	V98 K156 H170	V98-E172 WeakPolarHBondContact CG1-O 3.41Å; K156-E172 WeakPolarHBondContact CB-OE1 3.32Å; H170-E172 VanDerWaalsContact C-N 3.29Å; H170-E172 PolarHBondContact O-N 2.65Å
173	G	97.6	Very high	93.2	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.031	24%	0.237	C	C	.	.			trans	171.6	144.5	178	0	0	0	0	0	112	N101 Q102 D198	N101-G173 PolarHBondContact N-O 2.92Å; N101-G173 VanDerWaalsContact N-O 3.12Å; N101-G173 PolarHBondContact OD1-N 2.8Å; N101-G173 PolarHBondContact OD1-O 2.89Å; Q102-G173 PolarHBondContact N-O 3.08Å; G173-D198 WeakPolarHBondContact CA-OD2 3.37Å
174	S	98.4	Very high	95	Very high	20 Å²	20	38.6 Å²	38.6	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.7	175.7	61.7	0	0	0	0	110.9	Q102 F197 D198 L199	Q102-S174 WeakPolarHBondContact O-CA 3.45Å; S174-F197 WeakPolarHBondContact OG-CA 3.42Å; S174-D198 PolarHBondContact N-OD2 2.88Å; S174-D198 VanDerWaalsContact O-CB 3.3Å; S174-D198 WeakPolarHBondContact O-CB 3.26Å; S174-D198 PolarHBondContact O-N 3.49Å; S174-D198 VanDerWaalsContact O-N 3.12Å; S174-D198 PolarHBondContact OG-N 2.55Å; S174-D198 VanDerWaalsContact OG-N 3.17Å; S174-D198 PolarHBondContact OG-OD2 2.93Å; S174-L199 PolarHBondContact O-N 2.91Å
175	V	98.5	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134	176	65.5	0	0	0	0	111.6	L100 Q102 F103 Y104 L199 N201 L204	L100-V175 HydrophobicContact CD1-CB 4.36Å; L100-V175 HydrophobicContact CD1-CG1 3.76Å; L100-V175 HydrophobicContact CD2-CB 4.21Å; L100-V175 HydrophobicContact CD2-CG1 4.34Å; Q102-V175 PolarHBondContact O-N 3.34Å; F103-V175 CarbonylContact C-O 3.57Å; F103-V175 WeakPolarHBondContact CA-O 3.5Å; F103-V175 HydrophobicContact CB-CG1 3.9Å; F103-V175 WeakPolarHBondContact CB-O 3.29Å; Y104-V175 PolarHBondContact N-O 3.03Å; V175-L199 WeakPolarHBondContact CA-O 3.19Å; V175-L199 HydrophobicContact CB-CB 4.17Å; V175-L199 HydrophobicContact CG2-CB 3.98Å; V175-N201 HydrophobicContact CG2-CB 3.98Å; V175-L204 HydrophobicContact CG1-CB 4.44Å; V175-L204 HydrophobicContact CG1-CD2 3.23Å; V175-L204 HydrophobicContact CG1-CG 4.43Å
176	I	98.7	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.7	163.2	177.3	158.9	0	0	0	109.6	L88 Y104 N106 I178 F192 F197 L199 I200 N201	L88-I176 HydrophobicContact CD1-CG2 3.95Å; Y104-I176 HydrophobicContact CD1-CD1 3.69Å; Y104-I176 HydrophobicContact CD1-CG1 3.94Å; Y104-I176 HydrophobicContact CE1-CD1 4.18Å; Y104-I176 WeakPolarHBondContact O-CA 3.47Å; N106-I176 HydrophobicContact CB-CD1 4.05Å; N106-I176 HydrophobicContact CB-CG1 4.08Å; I176-I178 HydrophobicContact CG1-CG2 4.23Å; I176-F192 HydrophobicContact CD1-CD1 3.47Å; I176-F192 VanDerWaalsContact CD1-CD1 3.47Å; I176-F192 HydrophobicContact CD1-CD2 4.15Å; I176-F192 HydrophobicContact CD1-CE1 3.39Å; I176-F192 HydrophobicContact CD1-CE2 4.07Å; I176-F192 HydrophobicContact CD1-CG 3.87Å; I176-F192 HydrophobicContact CD1-CZ 3.7Å; I176-F192 HydrophobicContact CG2-CB 4.28Å; I176-F192 HydrophobicContact CG2-CD2 4.18Å; I176-F192 HydrophobicContact CG2-CG 4.21Å; I176-F197 HydrophobicContact CB-CD2 3.81Å; I176-F197 HydrophobicContact CB-CE2 4.07Å; I176-F197 HydrophobicContact CB-CG 4.23Å; I176-F197 HydrophobicContact CD1-CD2 4.19Å; I176-F197 HydrophobicContact CD1-CE2 3.83Å; I176-F197 HydrophobicContact CG1-CE2 4.48Å; I176-F197 HydrophobicContact CG2-CB 4.36Å; I176-F197 HydrophobicContact CG2-CD2 3.93Å; I176-F197 HydrophobicContact CG2-CG 4.34Å; I176-L199 WeakPolarHBondContact CG2-O 3.15Å; I176-L199 PolarHBondContact N-O 2.82Å; I176-I200 HydrophobicContact CG2-CB 3.92Å; I176-I200 HydrophobicContact CG2-CD1 4.37Å; I176-I200 HydrophobicContact CG2-CG1 4.02Å; I176-I200 WeakPolarHBondContact O-CA 3.43Å; I176-N201 PolarHBondContact O-N 3.43Å
177	T	98.7	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	105.5	175	-52.4	0	0	0	0	109.2	Y104 N106 T107 N201 V205	Y104-T177 PolarHBondContact O-N 3.02Å; N106-T177 CarbonylContact C-O 3.54Å; N106-T177 VanDerWaalsContact CA-O 3.3Å; N106-T177 WeakPolarHBondContact CA-O 3.38Å; N106-T177 WeakPolarHBondContact CB-O 3.25Å; N106-T177 PolarHBondContact N-O 3Å; T107-T177 HydrophobicContact CG2-CG2 3.47Å; T107-T177 VanDerWaalsContact CG2-CG2 3.47Å; T107-T177 PolarHBondContact N-O 2.85Å; T177-N201 CarbonylContact C-O 3.44Å; T177-N201 WeakPolarHBondContact CA-O 3.19Å; T177-N201 WeakPolarHBondContact CG2-OD1 3.29Å; T177-N201 PolarHBondContact OG1-OD1 3.12Å; T177-V205 HydrophobicContact CG2-CB 4.11Å; T177-V205 HydrophobicContact CG2-CG2 4.49Å
178	I	98.4	Very high	97.7	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	158.3	173.3	65.4	164.8	0	0	0	110.8	I176 G180 F192 I200 N201 M202	I176-I178 HydrophobicContact CG1-CG2 4.23Å; I178-G180 PolarHBondContact O-N 2.86Å; I178-F192 HydrophobicContact CG2-CE2 4Å; I178-F192 HydrophobicContact CG2-CZ 4.33Å; I178-I200 HydrophobicContact CD1-CD1 4.01Å; I178-I200 HydrophobicContact CD1-CG1 4.46Å; I178-I200 HydrophobicContact CG1-CD1 4.25Å; I178-I200 HydrophobicContact CG1-CG1 4.28Å; I178-I200 HydrophobicContact CG2-CD1 3.78Å; I178-I200 HydrophobicContact CG2-CG1 4.16Å; I178-N201 WeakPolarHBondContact CG1-O 3.39Å; I178-N201 PolarHBondContact N-O 3.12Å; I178-M202 HydrophobicContact CD1-CE 4.03Å; I178-M202 HydrophobicContact CG1-CE 4.48Å; I178-M202 HydrophobicContact CG1-CG 3.98Å; I178-M202 WeakPolarHBondContact O-CA 3.42Å
179	N	97.9	Very high	97.9	Very high	34 Å²	34	40.2 Å²	40.2	18%	0.182	21%	0.21	C	C	.	.			trans	-69.9	-29.9	-175.2	-156.1	49	0	0	0	114.5	Q108 R110	Q108-N179 PolarHBondContact N-OD1 3.35Å; Q108-N179 VanDerWaalsContact N-OD1 3.09Å; Q108-N179 PolarHBondContact O-ND2 3.38Å; Q108-N179 PolarHBondContact O-OD1 3.44Å; R110-N179 PolarHBondContact NE-OD1 2.87Å; R110-N179 PolarHBondContact NH2-O 3.36Å; R110-N179 PolarHBondContact NH2-OD1 3.31Å
180	G	96.5	Very high	97.9	Very high	19 Å²	19	43.8 Å²	43.8	20%	0.196	23%	0.229	C	C	.	.			trans	70.5	-173.8	-169.2	0	0	0	0	0	113	I178	I178-G180 PolarHBondContact O-N 2.86Å
181	P	96.1	Very high	97.9	Very high	82 Å²	82	46.8 Å²	46.8	53%	0.532	25%	0.245	S	C	.	.	S	Bend	cis	-83.2	-12.8	1.9	34.2	-36.7	0	0	0	114	L58	L58-P181 HydrophobicContact CD1-CB 4.33Å; L58-P181 HydrophobicContact CD1-CG 4.38Å; L58-P181 HydrophobicContact CD2-CB 4.04Å
182	R	98.2	Very high	97.9	Very high	138 Å²	138	46.2 Å²	46.2	52%	0.521	24%	0.241	S	C	.	.	S	Bend	trans	-68.5	148.6	176.4	66.6	169.5	-176.3	84.3	-3.3	111.1	E188 M202	R182-E188 IonicContact CZ-OE1 2.78Å; R182-E188 IonicContact CZ-OE2 3.36Å; R182-E188 IonicContact NH1-OE1 3.56Å; R182-E188 PolarHBondContact NH1-OE1 3.29Å; R182-E188 IonicContact NH1-OE2 3.67Å; R182-E188 PolarHBondContact NH1-OE2 3.31Å; R182-E188 IonicContact NH2-OE1 2.77Å; R182-E188 PolarHBondContact NH2-OE1 2.94Å; R182-E188 IonicContact NH2-OE2 3.64Å; R182-E188 PolarHBondContact NH2-OE2 3.48Å; R182-M202 WeakPolarHBondContact O-CE 3.39Å
183	F	98.1	Very high	97.8	Very high	74 Å²	74	45.1 Å²	45.1	33%	0.325	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-68.3	170.1	161.5	-62.9	-68.7	0	0	0	111	M202 V237 V239 V242	F183-M202 HydrophobicContact CD1-CE 3.91Å; F183-M202 HydrophobicContact CE1-CE 4.18Å; F183-V237 HydrophobicContact CB-CG1 3.78Å; F183-V237 HydrophobicContact CD1-CG1 3.8Å; F183-V237 HydrophobicContact CD1-CG2 3.85Å; F183-V237 HydrophobicContact CD2-CG1 4.18Å; F183-V237 HydrophobicContact CD2-CG2 4.45Å; F183-V237 HydrophobicContact CE1-CG1 4.44Å; F183-V237 HydrophobicContact CE1-CG2 3.62Å; F183-V237 HydrophobicContact CE2-CG2 4.26Å; F183-V237 HydrophobicContact CG-CG1 3.66Å; F183-V237 HydrophobicContact CG-CG2 4.27Å; F183-V237 HydrophobicContact CZ-CG2 3.85Å; F183-V239 HydrophobicContact CE2-CG2 4.26Å; F183-V242 HydrophobicContact CZ-CG2 4.27Å
184	S	98.2	Very high	97.8	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.2	149.7	177.9	-62.9	0	0	0	0	111.6	I200 C229	S184-I200 WeakPolarHBondContact OG-CD1 3.21Å; S184-C229 PolarHBondContact O-SG 3.21Å; S184-C229 VanDerWaalsContact O-SG 3.34Å
185	T	98.1	Very high	97.7	Very high	73 Å²	73	59.1 Å²	59.1	45%	0.448	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-71.9	159.2	157.4	63.6	0	0	0	0	109.5	C187 E188 S189	T185-C187 PolarHBondContact O-N 3.18Å; T185-E188 PolarHBondContact N-OE2 3.02Å; T185-E188 PolarHBondContact O-N 3.2Å; T185-E188 VanDerWaalsContact O-N 3.12Å; T185-E188 WeakPolarHBondContact OG1-CG 3.44Å; T185-E188 PolarHBondContact OG1-N 3.36Å; T185-E188 PolarHBondContact OG1-OE2 2.86Å; T185-S189 PolarHBondContact O-N 3.19Å
186	R	97.2	Very high	97.6	Very high	123 Å²	123	61.1 Å²	61.1	46%	0.464	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-34.3	174.1	-173.2	174.7	-54	118.9	3.5	112.9	S189 L190 C229 H236	R186-S189 PolarHBondContact O-N 2.86Å; R186-L190 HydrophobicContact CG-CD1 3.86Å; R186-L190 HydrophobicContact CG-CG 4.17Å; R186-L190 WeakPolarHBondContact O-CB 3.49Å; R186-L190 VanDerWaalsContact O-CG 3.31Å; R186-L190 WeakPolarHBondContact O-CG 3.44Å; R186-L190 PolarHBondContact O-N 2.94Å; R186-C229 WeakPolarHBondContact CG-O 3.36Å; R186-C229 PolarHBondContact NE-O 3.38Å; R186-H236 PolarHBondContact NH2-CE1 3.24Å; R186-H236 PolarHBondContact NH2-NE2 3.4Å
187	C	97.9	Very high	97.6	Very high	100 Å²	100	62.3 Å²	62.3	68%	0.676	32%	0.315	S	S	*	.	H	α-helix	trans	-59.9	-48.7	175.9	-175.5	0	0	0	0	111.2	T185 L191	T185-C187 PolarHBondContact O-N 3.18Å; C187-L191 WeakPolarHBondContact O-CB 3.42Å; C187-L191 PolarHBondContact O-N 2.96Å
188	E	98.4	Very high	97.6	Very high	47 Å²	47	63.7 Å²	63.7	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46.9	176.2	-70	164.1	139.2	0	0	111.5	R182 T185 L190 L191 F192	R182-E188 IonicContact CZ-OE1 2.78Å; R182-E188 IonicContact CZ-OE2 3.36Å; R182-E188 IonicContact NH1-OE1 3.56Å; R182-E188 PolarHBondContact NH1-OE1 3.29Å; R182-E188 IonicContact NH1-OE2 3.67Å; R182-E188 PolarHBondContact NH1-OE2 3.31Å; R182-E188 IonicContact NH2-OE1 2.77Å; R182-E188 PolarHBondContact NH2-OE1 2.94Å; R182-E188 IonicContact NH2-OE2 3.64Å; R182-E188 PolarHBondContact NH2-OE2 3.48Å; T185-E188 PolarHBondContact N-OE2 3.02Å; T185-E188 PolarHBondContact O-N 3.2Å; T185-E188 VanDerWaalsContact O-N 3.12Å; T185-E188 WeakPolarHBondContact OG1-CG 3.44Å; T185-E188 PolarHBondContact OG1-N 3.36Å; T185-E188 PolarHBondContact OG1-OE2 2.86Å; E188-L190 PolarHBondContact O-N 3.21Å; E188-L191 WeakPolarHBondContact O-CB 3.07Å; E188-L191 PolarHBondContact O-N 3.47Å; E188-L191 VanDerWaalsContact O-N 3.13Å; E188-F192 HydrophobicContact CB-CD2 4.42Å; E188-F192 HydrophobicContact CB-CE2 3.81Å; E188-F192 HydrophobicContact CB-CZ 4.08Å; E188-F192 WeakPolarHBondContact O-CD2 3.46Å; E188-F192 WeakPolarHBondContact O-CG 3.03Å; E188-F192 PolarHBondContact O-N 3.39Å
189	S	98.2	Very high	97.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-48.8	178.8	-163.2	0	0	0	0	112.5	T185 R186 L191 F192 Q193 D228 C229 W230	T185-S189 PolarHBondContact O-N 3.19Å; R186-S189 PolarHBondContact O-N 2.86Å; S189-L191 VanDerWaalsContact C-N 3.34Å; S189-L191 PolarHBondContact O-N 3.32Å; S189-F192 PolarHBondContact O-N 2.83Å; S189-Q193 WeakPolarHBondContact O-CB 3.14Å; S189-Q193 PolarHBondContact O-N 3.15Å; S189-D228 WeakPolarHBondContact CB-OD2 3.32Å; S189-D228 PolarHBondContact OG-OD2 3.17Å; S189-C229 VanDerWaalsContact CB-SG 3.57Å; S189-W230 WeakPolarHBondContact OG-CB 3.38Å; S189-W230 PolarHBondContact OG-N 3.46Å
190	L	97.7	Very high	97.6	Very high	76 Å²	76	61.9 Å²	61.9	40%	0.398	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-35.6	177.2	-71.5	171	0	0	0	112.4	R186 E188 K194 W230	R186-L190 HydrophobicContact CG-CD1 3.86Å; R186-L190 HydrophobicContact CG-CG 4.17Å; R186-L190 WeakPolarHBondContact O-CB 3.49Å; R186-L190 VanDerWaalsContact O-CG 3.31Å; R186-L190 WeakPolarHBondContact O-CG 3.44Å; R186-L190 PolarHBondContact O-N 2.94Å; E188-L190 PolarHBondContact O-N 3.21Å; L190-K194 VanDerWaalsContact O-CB 3.26Å; L190-K194 WeakPolarHBondContact O-CB 3.4Å; L190-K194 PolarHBondContact O-N 3.19Å; L190-W230 HydrophobicContact CD2-CB 3.98Å; L190-W230 HydrophobicContact CG-CB 4.43Å
191	L	98.1	Very high	97.7	Very high	73 Å²	73	61.3 Å²	61.3	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-48.2	175.1	-178.8	65.3	0	0	0	110.9	C187 E188 S189 K194 W195	C187-L191 WeakPolarHBondContact O-CB 3.42Å; C187-L191 PolarHBondContact O-N 2.96Å; E188-L191 WeakPolarHBondContact O-CB 3.07Å; E188-L191 PolarHBondContact O-N 3.47Å; E188-L191 VanDerWaalsContact O-N 3.13Å; S189-L191 VanDerWaalsContact C-N 3.34Å; S189-L191 PolarHBondContact O-N 3.32Å; L191-K194 WeakPolarHBondContact O-CB 3.33Å; L191-K194 PolarHBondContact O-N 2.83Å; L191-W195 HydrophobicContact CD1-CZ2 4.19Å; L191-W195 HydrophobicContact CD2-CZ2 4.08Å; L191-W195 HydrophobicContact CG-CZ2 4.14Å; L191-W195 PolarHBondContact O-N 3.19Å
192	F	97.9	Very high	97.8	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.044	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-40.4	179.8	-59.1	-28.2	0	0	0	112.2	L88 I176 I178 E188 S189 K194 W195 G196 F197 I200	L88-F192 HydrophobicContact CD1-CB 3.71Å; I176-F192 HydrophobicContact CD1-CD1 3.47Å; I176-F192 VanDerWaalsContact CD1-CD1 3.47Å; I176-F192 HydrophobicContact CD1-CD2 4.15Å; I176-F192 HydrophobicContact CD1-CE1 3.39Å; I176-F192 HydrophobicContact CD1-CE2 4.07Å; I176-F192 HydrophobicContact CD1-CG 3.87Å; I176-F192 HydrophobicContact CD1-CZ 3.7Å; I176-F192 HydrophobicContact CG2-CB 4.28Å; I176-F192 HydrophobicContact CG2-CD2 4.18Å; I176-F192 HydrophobicContact CG2-CG 4.21Å; I178-F192 HydrophobicContact CG2-CE2 4Å; I178-F192 HydrophobicContact CG2-CZ 4.33Å; E188-F192 HydrophobicContact CB-CD2 4.42Å; E188-F192 HydrophobicContact CB-CE2 3.81Å; E188-F192 HydrophobicContact CB-CZ 4.08Å; E188-F192 WeakPolarHBondContact O-CD2 3.46Å; E188-F192 WeakPolarHBondContact O-CG 3.03Å; E188-F192 PolarHBondContact O-N 3.39Å; S189-F192 PolarHBondContact O-N 2.83Å; F192-K194 VanDerWaalsContact C-N 3.35Å; F192-W195 PolarHBondContact O-N 3.3Å; F192-G196 PolarHBondContact O-N 3.11Å; F192-F197 HydrophobicContact CB-CD2 4.05Å; F192-F197 PolarHBondContact O-N 2.96Å; F192-I200 HydrophobicContact CD2-CD1 3.99Å; F192-I200 HydrophobicContact CE2-CD1 4.07Å
193	Q	95.3	Very high	97.8	Very high	48 Å²	48	52.7 Å²	52.7	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-45.4	170.7	175.6	176.7	79.5	0	0	111.3	L88 S189 W195 G196	L88-Q193 HydrophobicContact CB-CB 4.46Å; L88-Q193 WeakPolarHBondContact O-CG 3.3Å; L88-Q193 PolarHBondContact O-NE2 2.96Å; S189-Q193 WeakPolarHBondContact O-CB 3.14Å; S189-Q193 PolarHBondContact O-N 3.15Å; Q193-W195 VanDerWaalsContact C-N 3.27Å; Q193-W195 PolarHBondContact O-N 3.04Å; Q193-G196 WeakPolarHBondContact O-CA 3.39Å; Q193-G196 PolarHBondContact O-N 3.41Å
194	K	96.9	Very high	97.8	Very high	181 Å²	181	49.2 Å²	49.2	79%	0.787	25%	0.25	S	C	*	.	H	α-helix	trans	-65	-29.6	178.8	-175.1	175	-179.6	-179.9	0	112.8	L190 L191 F192 G196	L190-K194 VanDerWaalsContact O-CB 3.26Å; L190-K194 WeakPolarHBondContact O-CB 3.4Å; L190-K194 PolarHBondContact O-N 3.19Å; L191-K194 WeakPolarHBondContact O-CB 3.33Å; L191-K194 PolarHBondContact O-N 2.83Å; F192-K194 VanDerWaalsContact C-N 3.35Å; K194-G196 PolarHBondContact O-N 3.34Å
195	W	97.6	Very high	97.8	Very high	136 Å²	136	48.6 Å²	48.6	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.7	172.2	-70.7	6.1	0	0	0	113.2	Y104 L191 F192 Q193 F197	Y104-W195 HydrophobicContact CE1-CZ3 4.36Å; Y104-W195 HydrophobicContact CE2-CZ3 4.49Å; L191-W195 HydrophobicContact CD1-CZ2 4.19Å; L191-W195 HydrophobicContact CD2-CZ2 4.08Å; L191-W195 HydrophobicContact CG-CZ2 4.14Å; L191-W195 PolarHBondContact O-N 3.19Å; F192-W195 PolarHBondContact O-N 3.3Å; Q193-W195 VanDerWaalsContact C-N 3.27Å; Q193-W195 PolarHBondContact O-N 3.04Å; W195-F197 HydrophobicContact CB-CD2 4.26Å; W195-F197 HydrophobicContact CB-CE2 4.05Å; W195-F197 HydrophobicContact CB-CZ 4.47Å; W195-F197 HydrophobicContact CD2-CE2 4.44Å; W195-F197 AromaticContact CE3-CE2 3.6Å; W195-F197 HydrophobicContact CE3-CE2 3.6Å; W195-F197 AromaticContact CE3-CZ 3.96Å; W195-F197 HydrophobicContact CE3-CZ 3.96Å; W195-F197 HydrophobicContact CZ3-CE2 4.42Å
196	G	96.6	Very high	97.8	Very high	42 Å²	42	45.1 Å²	45.1	43%	0.433	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	16.8	174.2	0	0	0	0	0	114.5	F192 Q193 K194	F192-G196 PolarHBondContact O-N 3.11Å; Q193-G196 WeakPolarHBondContact O-CA 3.39Å; Q193-G196 PolarHBondContact O-N 3.41Å; K194-G196 PolarHBondContact O-N 3.34Å
197	F	98.1	Very high	97.9	Very high	25 Å²	25	39.3 Å²	39.3	11%	0.11	20%	0.203	C	C	.	.			trans	-70.4	146.4	173.4	-60.5	-49.1	0	0	0	111.5	L88 Q89 Y104 S174 I176 F192 W195	L88-F197 WeakPolarHBondContact CB-O 3.19Å; L88-F197 HydrophobicContact CD1-CB 3.84Å; Q89-F197 PolarHBondContact NE2-O 3.34Å; Y104-F197 HydrophobicContact CD1-CE2 4.39Å; Y104-F197 HydrophobicContact CD1-CZ 4.12Å; Y104-F197 HydrophobicContact CD2-CE1 4.34Å; Y104-F197 AromaticContact CD2-CZ 3.71Å; Y104-F197 HydrophobicContact CD2-CZ 3.71Å; Y104-F197 HydrophobicContact CG-CE1 4.1Å; Y104-F197 HydrophobicContact CG-CE2 4.15Å; Y104-F197 AromaticContact CG-CZ 3.45Å; Y104-F197 HydrophobicContact CG-CZ 3.45Å; Y104-F197 VanDerWaalsContact CG-CZ 3.45Å; S174-F197 WeakPolarHBondContact OG-CA 3.42Å; I176-F197 HydrophobicContact CB-CD2 3.81Å; I176-F197 HydrophobicContact CB-CE2 4.07Å; I176-F197 HydrophobicContact CB-CG 4.23Å; I176-F197 HydrophobicContact CD1-CD2 4.19Å; I176-F197 HydrophobicContact CD1-CE2 3.83Å; I176-F197 HydrophobicContact CG1-CE2 4.48Å; I176-F197 HydrophobicContact CG2-CB 4.36Å; I176-F197 HydrophobicContact CG2-CD2 3.93Å; I176-F197 HydrophobicContact CG2-CG 4.34Å; F192-F197 HydrophobicContact CB-CD2 4.05Å; F192-F197 PolarHBondContact O-N 2.96Å; W195-F197 HydrophobicContact CB-CD2 4.26Å; W195-F197 HydrophobicContact CB-CE2 4.05Å; W195-F197 HydrophobicContact CB-CZ 4.47Å; W195-F197 HydrophobicContact CD2-CE2 4.44Å; W195-F197 AromaticContact CE3-CE2 3.6Å; W195-F197 HydrophobicContact CE3-CE2 3.6Å; W195-F197 AromaticContact CE3-CZ 3.96Å; W195-F197 HydrophobicContact CE3-CZ 3.96Å; W195-F197 HydrophobicContact CZ3-CE2 4.42Å
198	D	97.8	Very high	97.9	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	17%	0.17	C	C	.	.			trans	-83.8	-44.1	-179.9	-62.8	-76.9	0	0	0	112.3	L88 K92 G173 S174	L88-D198 PolarHBondContact N-O 2.76Å; K92-D198 HydrophobicContact CD-CB 3.75Å; K92-D198 VanDerWaalsContact CE-OD1 3.23Å; K92-D198 WeakPolarHBondContact CE-OD1 3.45Å; K92-D198 IonicContact NZ-OD1 3.98Å; K92-D198 PolarHBondContact NZ-OD1 3.22Å; G173-D198 WeakPolarHBondContact CA-OD2 3.37Å; S174-D198 PolarHBondContact N-OD2 2.88Å; S174-D198 VanDerWaalsContact O-CB 3.3Å; S174-D198 WeakPolarHBondContact O-CB 3.26Å; S174-D198 PolarHBondContact O-N 3.49Å; S174-D198 VanDerWaalsContact O-N 3.12Å; S174-D198 PolarHBondContact OG-N 2.55Å; S174-D198 VanDerWaalsContact OG-N 3.17Å; S174-D198 PolarHBondContact OG-OD2 2.93Å
199	L	98.5	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.4	-170.8	-60.8	-179.3	0	0	0	111.7	C85 G86 K92 V98 L100 S174 V175 I176 A222 V224	C85-L199 HydrophobicContact CB-CB 4.12Å; C85-L199 HydrophobicContact CB-CD1 4.09Å; C85-L199 HydrophobicContact CB-CD2 4.48Å; C85-L199 HydrophobicContact CB-CG 4.48Å; G86-L199 CarbonylContact O-C 3.59Å; G86-L199 VanDerWaalsContact O-CA 3.32Å; G86-L199 WeakPolarHBondContact O-CA 3.43Å; K92-L199 HydrophobicContact CD-CD2 4.26Å; V98-L199 HydrophobicContact CB-CD1 3.81Å; V98-L199 HydrophobicContact CG1-CD1 4.25Å; V98-L199 HydrophobicContact CG2-CD1 3.71Å; V98-L199 HydrophobicContact CG2-CD2 4.43Å; V98-L199 HydrophobicContact CG2-CG 4.42Å; L100-L199 HydrophobicContact CD2-CD1 3.93Å; S174-L199 PolarHBondContact O-N 2.91Å; V175-L199 WeakPolarHBondContact CA-O 3.19Å; V175-L199 HydrophobicContact CB-CB 4.17Å; V175-L199 HydrophobicContact CG2-CB 3.98Å; I176-L199 WeakPolarHBondContact CG2-O 3.15Å; I176-L199 PolarHBondContact N-O 2.82Å; L199-A222 HydrophobicContact CD1-CB 3.62Å; L199-V224 HydrophobicContact CD2-CG2 3.86Å
200	I	98.7	Very high	98	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.046	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.2	170.1	-178.5	165.9	0	0	0	110.8	C85 G86 L88 I176 I178 S184 F192 D228	C85-I200 CarbonylContact C-O 3.6Å; C85-I200 WeakPolarHBondContact CA-O 3.42Å; C85-I200 WeakPolarHBondContact CB-O 3.5Å; G86-I200 PolarHBondContact N-O 3.01Å; G86-I200 WeakPolarHBondContact O-CG2 3.27Å; G86-I200 PolarHBondContact O-N 3.18Å; L88-I200 HydrophobicContact CD1-CB 4.25Å; L88-I200 HydrophobicContact CD2-CG2 4.19Å; L88-I200 HydrophobicContact CG-CB 4.39Å; L88-I200 HydrophobicContact CG-CG2 4.29Å; I176-I200 HydrophobicContact CG2-CB 3.92Å; I176-I200 HydrophobicContact CG2-CD1 4.37Å; I176-I200 HydrophobicContact CG2-CG1 4.02Å; I176-I200 WeakPolarHBondContact O-CA 3.43Å; I178-I200 HydrophobicContact CD1-CD1 4.01Å; I178-I200 HydrophobicContact CD1-CG1 4.46Å; I178-I200 HydrophobicContact CG1-CD1 4.25Å; I178-I200 HydrophobicContact CG1-CG1 4.28Å; I178-I200 HydrophobicContact CG2-CD1 3.78Å; I178-I200 HydrophobicContact CG2-CG1 4.16Å; S184-I200 WeakPolarHBondContact OG-CD1 3.21Å; F192-I200 HydrophobicContact CD2-CD1 3.99Å; F192-I200 HydrophobicContact CE2-CD1 4.07Å; I200-D228 HydrophobicContact CG2-CB 3.95Å
201	N	98.2	Very high	98	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-171.8	173.9	81.7	13.2	0	0	0	112.5	C85 V175 I176 T177 I178 T203	C85-N201 HydrophobicContact CB-CB 4.39Å; C85-N201 VanDerWaalsContact SG-CB 3.56Å; V175-N201 HydrophobicContact CG2-CB 3.98Å; I176-N201 PolarHBondContact O-N 3.43Å; T177-N201 CarbonylContact C-O 3.44Å; T177-N201 WeakPolarHBondContact CA-O 3.19Å; T177-N201 WeakPolarHBondContact CG2-OD1 3.29Å; T177-N201 PolarHBondContact OG1-OD1 3.12Å; I178-N201 WeakPolarHBondContact CG1-O 3.39Å; I178-N201 PolarHBondContact N-O 3.12Å; N201-T203 PolarHBondContact OD1-N 3.22Å
202	M	98	Very high	98.1	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.143	14%	0.138	C	C	.	.	S	Bend	trans	-125.7	-3.9	179.5	-56.1	-177.5	-177.6	0	0	114.9	P59 R110 I178 R182 F183	P59-M202 HydrophobicContact CB-CB 3.62Å; P59-M202 HydrophobicContact CG-CB 3.72Å; P59-M202 HydrophobicContact CG-CG 4.42Å; P59-M202 HydrophobicContact CG-SD 3.85Å; R110-M202 PolarHBondContact NH1-O 2.78Å; R110-M202 PolarHBondContact NH2-O 2.71Å; I178-M202 HydrophobicContact CD1-CE 4.03Å; I178-M202 HydrophobicContact CG1-CE 4.48Å; I178-M202 HydrophobicContact CG1-CG 3.98Å; I178-M202 WeakPolarHBondContact O-CA 3.42Å; R182-M202 WeakPolarHBondContact O-CE 3.39Å; F183-M202 HydrophobicContact CD1-CE 3.91Å; F183-M202 HydrophobicContact CE1-CE 4.18Å
203	T	97.6	Very high	98.1	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.067	14%	0.139	C	C	.	.	S	Bend	trans	-129.2	-8.7	-160.4	48	0	0	0	0	116.3	P59 I62 N83 N201	P59-T203 HydrophobicContact CB-CG2 4.04Å; P59-T203 HydrophobicContact CG-CG2 4.41Å; I62-T203 HydrophobicContact CD1-CG2 4.11Å; N83-T203 PolarHBondContact ND2-OG1 3.28Å; N201-T203 PolarHBondContact OD1-N 3.22Å
204	L	98.3	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-69.2	-43.1	-178.5	175.6	69.6	0	0	0	112.2	L100 F103 F134 V175 E207 V208 Y218	L100-L204 HydrophobicContact CD1-CD1 4.46Å; L100-L204 HydrophobicContact CD1-CD2 4.03Å; F103-L204 HydrophobicContact CB-CD2 3.61Å; F103-L204 HydrophobicContact CD1-CD2 4.2Å; F103-L204 HydrophobicContact CG-CD2 4.11Å; F134-L204 HydrophobicContact CE1-CD1 3.95Å; F134-L204 HydrophobicContact CZ-CD1 4.03Å; F134-L204 HydrophobicContact CZ-CD2 3.85Å; V175-L204 HydrophobicContact CG1-CB 4.44Å; V175-L204 HydrophobicContact CG1-CD2 3.23Å; V175-L204 HydrophobicContact CG1-CG 4.43Å; L204-E207 WeakPolarHBondContact O-CA 3.28Å; L204-E207 VanDerWaalsContact O-CB 3.29Å; L204-E207 WeakPolarHBondContact O-CB 3.45Å; L204-E207 PolarHBondContact O-N 3.42Å; L204-V208 HydrophobicContact CD1-CB 3.92Å; L204-V208 HydrophobicContact CD1-CG1 4.12Å; L204-V208 HydrophobicContact CD2-CG1 4.49Å; L204-V208 HydrophobicContact CG-CB 4.31Å; L204-V208 HydrophobicContact CG-CG1 3.94Å; L204-V208 PolarHBondContact O-N 2.96Å; L204-Y218 HydrophobicContact CD1-CE1 3.94Å
205	V	98.7	Very high	98.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	131.3	-179.7	-174.6	0	0	0	0	109.4	F103 D105 T107 R110 T177 V208	F103-V205 HydrophobicContact CD2-CG2 3.41Å; F103-V205 VanDerWaalsContact CD2-CG2 3.41Å; F103-V205 HydrophobicContact CE2-CG2 3.53Å; F103-V205 HydrophobicContact CG-CG2 3.99Å; F103-V205 HydrophobicContact CZ-CG2 4.15Å; D105-V205 HydrophobicContact CB-CG1 4.14Å; D105-V205 HydrophobicContact CB-CG2 4.43Å; T107-V205 HydrophobicContact CG2-CB 4.23Å; R110-V205 PolarHBondContact NH1-O 3.22Å; T177-V205 HydrophobicContact CG2-CB 4.11Å; T177-V205 HydrophobicContact CG2-CG2 4.49Å; V205-V208 HydrophobicContact CG2-CG1 4.39Å
206	P	98.7	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.8	11.4	6.4	35.6	-36.6	0	0	0	116.6	Y64 L112 V208 S209 L210	Y64-P206 HydrophobicContact CD2-CG 3.86Å; Y64-P206 HydrophobicContact CG-CG 3.91Å; L112-P206 HydrophobicContact CB-CB 4.3Å; L112-P206 HydrophobicContact CD2-CB 3.65Å; L112-P206 HydrophobicContact CD2-CG 3.9Å; P206-V208 VanDerWaalsContact C-N 3.32Å; P206-V208 PolarHBondContact O-N 3.17Å; P206-S209 PolarHBondContact O-N 3.42Å; P206-S209 VanDerWaalsContact O-N 3.09Å; P206-L210 HydrophobicContact CB-CD1 3.98Å; P206-L210 HydrophobicContact CB-CG 4.22Å; P206-L210 HydrophobicContact CG-CD1 3.86Å; P206-L210 WeakPolarHBondContact O-CB 3.28Å; P206-L210 WeakPolarHBondContact O-CG 3.47Å; P206-L210 PolarHBondContact O-N 2.95Å
207	E	98.8	Very high	98.5	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-51.3	-48	-176.1	-165.2	172.1	102.7	0	0	113	I5 R50 Y64 I68 A81 L204 A211 Y218	I5-E207 HydrophobicContact CD1-CG 4.11Å; R50-E207 IonicContact CZ-OE1 3.32Å; R50-E207 IonicContact CZ-OE2 3.14Å; R50-E207 IonicContact NE-OE1 3.5Å; R50-E207 IonicContact NE-OE2 3.87Å; R50-E207 PolarHBondContact NE-OE2 3.12Å; R50-E207 IonicContact NH2-OE1 2.78Å; R50-E207 PolarHBondContact NH2-OE1 3.21Å; R50-E207 IonicContact NH2-OE2 2.78Å; R50-E207 PolarHBondContact NH2-OE2 3.03Å; Y64-E207 HydrophobicContact CD1-CB 3.84Å; Y64-E207 HydrophobicContact CD1-CG 4.38Å; Y64-E207 HydrophobicContact CE1-CB 4.13Å; I68-E207 HydrophobicContact CD1-CG 3.92Å; A81-E207 VanDerWaalsContact CB-OE1 3.32Å; A81-E207 WeakPolarHBondContact CB-OE1 3.36Å; L204-E207 WeakPolarHBondContact O-CA 3.28Å; L204-E207 VanDerWaalsContact O-CB 3.29Å; L204-E207 WeakPolarHBondContact O-CB 3.45Å; L204-E207 PolarHBondContact O-N 3.42Å; E207-A211 WeakPolarHBondContact O-CB 3.37Å; E207-A211 PolarHBondContact O-N 3.13Å; E207-Y218 HydrophobicContact CG-CE2 3.87Å; E207-Y218 PolarHBondContact OE1-OH 2.91Å
208	V	98.8	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-42.4	178	62.2	0	0	0	0	112.8	F103 P133 F134 L204 V205 P206 A211 R212 Y218	F103-V208 HydrophobicContact CD1-CG1 3.92Å; F103-V208 HydrophobicContact CE1-CG1 3.53Å; F103-V208 HydrophobicContact CZ-CG1 4.12Å; P133-V208 HydrophobicContact CB-CG2 4.24Å; P133-V208 WeakPolarHBondContact O-CG2 3.1Å; F134-V208 HydrophobicContact CD1-CG2 4.06Å; F134-V208 HydrophobicContact CE1-CG2 3.98Å; F134-V208 HydrophobicContact CG-CG2 4.48Å; F134-V208 HydrophobicContact CZ-CG2 4.32Å; L204-V208 HydrophobicContact CD1-CB 3.92Å; L204-V208 HydrophobicContact CD1-CG1 4.12Å; L204-V208 HydrophobicContact CD2-CG1 4.49Å; L204-V208 HydrophobicContact CG-CB 4.31Å; L204-V208 HydrophobicContact CG-CG1 3.94Å; L204-V208 PolarHBondContact O-N 2.96Å; V205-V208 HydrophobicContact CG2-CG1 4.39Å; P206-V208 VanDerWaalsContact C-N 3.32Å; P206-V208 PolarHBondContact O-N 3.17Å; V208-A211 PolarHBondContact O-N 3.49Å; V208-R212 PolarHBondContact O-N 3.26Å; V208-Y218 HydrophobicContact CB-CD1 3.97Å; V208-Y218 HydrophobicContact CB-CE1 3.71Å; V208-Y218 HydrophobicContact CG2-CD1 3.68Å; V208-Y218 HydrophobicContact CG2-CE1 3.86Å
209	S	98.8	Very high	98.6	Very high	23 Å²	23	8.3 Å²	8.3	16%	0.161	5%	0.046	C	C	.	.	H	α-helix	trans	-66	-47.8	-179.2	-51.1	0	0	0	0	110.8	P206 A211 R212 E213	P206-S209 PolarHBondContact O-N 3.42Å; P206-S209 VanDerWaalsContact O-N 3.09Å; S209-A211 PolarHBondContact O-N 2.99Å; S209-R212 WeakPolarHBondContact O-CB 3.43Å; S209-R212 PolarHBondContact O-N 3.49Å; S209-R212 VanDerWaalsContact O-N 3.17Å; S209-E213 PolarHBondContact O-N 3.46Å
210	L	98.9	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.3	-38.7	179.1	-70.8	166.8	0	0	0	111.6	R65 I68 L112 F114 P206 R212 E213 A214	R65-L210 HydrophobicContact CG-CD1 3.89Å; R65-L210 HydrophobicContact CG-CD2 3.94Å; I68-L210 HydrophobicContact CB-CB 4.3Å; I68-L210 HydrophobicContact CG1-CB 3.94Å; I68-L210 HydrophobicContact CG2-CB 4.32Å; L112-L210 WeakPolarHBondContact O-CD2 3.39Å; F114-L210 HydrophobicContact CD1-CD2 4.14Å; F114-L210 HydrophobicContact CD2-CD2 3.88Å; F114-L210 HydrophobicContact CE1-CD2 4.05Å; F114-L210 HydrophobicContact CE2-CB 4.01Å; F114-L210 HydrophobicContact CE2-CD2 3.76Å; F114-L210 WeakPolarHBondContact CE2-O 3.45Å; F114-L210 HydrophobicContact CG-CD2 4.08Å; F114-L210 HydrophobicContact CZ-CB 4.05Å; F114-L210 HydrophobicContact CZ-CD2 3.86Å; F114-L210 HydrophobicContact CZ-CG 4.48Å; P206-L210 HydrophobicContact CB-CD1 3.98Å; P206-L210 HydrophobicContact CB-CG 4.22Å; P206-L210 HydrophobicContact CG-CD1 3.86Å; P206-L210 WeakPolarHBondContact O-CB 3.28Å; P206-L210 WeakPolarHBondContact O-CG 3.47Å; P206-L210 PolarHBondContact O-N 2.95Å; L210-R212 PolarHBondContact O-N 2.83Å; L210-E213 PolarHBondContact O-N 2.63Å; L210-A214 VanDerWaalsContact O-CB 3.31Å; L210-A214 WeakPolarHBondContact O-CB 3.18Å; L210-A214 PolarHBondContact O-N 2.86Å
211	A	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.4	-38.2	175.3	0	0	0	0	0	111.7	I68 I79 E207 V208 S209 A214 G215 L216 Y218	I68-A211 HydrophobicContact CD1-CB 4.12Å; I79-A211 HydrophobicContact CD1-CB 4.36Å; E207-A211 WeakPolarHBondContact O-CB 3.37Å; E207-A211 PolarHBondContact O-N 3.13Å; V208-A211 PolarHBondContact O-N 3.49Å; S209-A211 PolarHBondContact O-N 2.99Å; A211-A214 PolarHBondContact O-N 3.33Å; A211-G215 PolarHBondContact O-N 3.46Å; A211-L216 WeakPolarHBondContact O-CB 3.42Å; A211-L216 PolarHBondContact O-N 3.08Å; A211-Y218 HydrophobicContact CB-CD2 3.56Å; A211-Y218 HydrophobicContact CB-CE2 4.5Å; A211-Y218 HydrophobicContact CB-CG 3.81Å
212	R	98.8	Very high	98.6	Very high	42 Å²	42	7.6 Å²	7.6	16%	0.158	4%	0.042	C	C	.	.	H	α-helix	trans	-67.9	-45.7	173.5	-171.9	174.3	-72.2	-157.3	-19.3	112.5	M128 P129 M130 D132 P133 F134 V208 S209 L210 A214 G215 L279 V280	M128-R212 HydrophobicContact CE-CG 3.6Å; P129-R212 PolarHBondContact O-NH1 3.27Å; M130-R212 HydrophobicContact SD-CB 4.49Å; M130-R212 VanDerWaalsContact SD-CD 3.6Å; D132-R212 PolarHBondContact O-NH1 2.94Å; D132-R212 PolarHBondContact O-NH2 3.34Å; P133-R212 VanDerWaalsContact O-CZ 3.31Å; P133-R212 PolarHBondContact O-NE 3.45Å; P133-R212 PolarHBondContact O-NH2 3.37Å; F134-R212 PolarHBondContact O-NH2 3.33Å; V208-R212 PolarHBondContact O-N 3.26Å; S209-R212 WeakPolarHBondContact O-CB 3.43Å; S209-R212 PolarHBondContact O-N 3.49Å; S209-R212 VanDerWaalsContact O-N 3.17Å; L210-R212 PolarHBondContact O-N 2.83Å; R212-A214 PolarHBondContact O-N 2.9Å; R212-G215 PolarHBondContact O-N 3.4Å; R212-L279 HydrophobicContact CG-CD2 4.48Å; R212-V280 WeakPolarHBondContact O-CG2 3.4Å
213	E	98.8	Very high	98.5	Very high	16 Å²	16	6.2 Å²	6.2	8%	0.075	4%	0.035	C	C	.	.	H	α-helix	trans	-59.2	-29.8	174.5	-66.4	-165.3	174.9	0	0	112.7	T113 F114 L126 M128 S209 L210 G215 V280	T113-E213 WeakPolarHBondContact CA-OE2 3.34Å; T113-E213 VanDerWaalsContact CB-OE1 3.22Å; T113-E213 WeakPolarHBondContact CB-OE1 3.32Å; T113-E213 PolarHBondContact OG1-OE1 3.48Å; T113-E213 PolarHBondContact OG1-OE2 2.92Å; F114-E213 HydrophobicContact CD2-CB 3.75Å; F114-E213 WeakPolarHBondContact CD2-OE2 3.44Å; F114-E213 HydrophobicContact CE2-CB 4.13Å; F114-E213 PolarHBondContact N-OE2 3.12Å; L126-E213 HydrophobicContact CD2-CB 3.88Å; L126-E213 HydrophobicContact CD2-CG 3.57Å; M128-E213 HydrophobicContact CG-CG 3.74Å; S209-E213 PolarHBondContact O-N 3.46Å; L210-E213 PolarHBondContact O-N 2.63Å; E213-G215 VanDerWaalsContact C-N 3.25Å; E213-G215 PolarHBondContact O-N 3.02Å; E213-V280 WeakPolarHBondContact O-CG2 3.35Å
214	A	98.7	Very high	98.5	Very high	9 Å²	9	5.7 Å²	5.7	7%	0.074	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10	176.2	0	0	0	0	0	113.7	I68 K72 F114 L210 A211 R212 L216	I68-A214 HydrophobicContact CG2-CB 3.66Å; K72-A214 HydrophobicContact CD-CB 4.02Å; F114-A214 HydrophobicContact CE2-CB 4.06Å; L210-A214 VanDerWaalsContact O-CB 3.31Å; L210-A214 WeakPolarHBondContact O-CB 3.18Å; L210-A214 PolarHBondContact O-N 2.86Å; A211-A214 PolarHBondContact O-N 3.33Å; R212-A214 PolarHBondContact O-N 2.9Å; A214-L216 HydrophobicContact CB-CD1 3.91Å; A214-L216 HydrophobicContact CB-CG 3.82Å
215	G	98.7	Very high	98.4	Very high	10 Å²	10	6 Å²	6	10%	0.103	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	28.7	-175.3	0	0	0	0	0	113.4	A211 R212 E213 N276	A211-G215 PolarHBondContact O-N 3.46Å; R212-G215 PolarHBondContact O-N 3.4Å; E213-G215 VanDerWaalsContact C-N 3.25Å; E213-G215 PolarHBondContact O-N 3.02Å; G215-N276 WeakPolarHBondContact O-CB 3.47Å
216	L	98.9	Very high	98.3	Very high	13 Å²	13	6.2 Å²	6.2	7%	0.068	4%	0.035	C	C	.	.			trans	-104.6	143.2	-176.9	-55	178.8	0	0	0	111.6	I68 K72 C76 I79 A211 A214 Y218	I68-L216 HydrophobicContact CG2-CD1 4.24Å; K72-L216 HydrophobicContact CB-CD1 4.27Å; C76-L216 WeakPolarHBondContact O-CD2 3.36Å; I79-L216 HydrophobicContact CD1-CD1 3.5Å; I79-L216 VanDerWaalsContact CD1-CD1 3.5Å; I79-L216 HydrophobicContact CG1-CD1 4.07Å; A211-L216 WeakPolarHBondContact O-CB 3.42Å; A211-L216 PolarHBondContact O-N 3.08Å; A214-L216 HydrophobicContact CB-CD1 3.91Å; A214-L216 HydrophobicContact CB-CG 3.82Å; L216-Y218 PolarHBondContact O-N 3.48Å
217	S	98.9	Very high	98.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	106.9	171.8	-69.6	0	0	0	0	110.2	T77 H78 I79 N276	T77-S217 PolarHBondContact O-N 2.96Å; H78-S217 CarbonylContact C-O 3.56Å; H78-S217 WeakPolarHBondContact CA-O 3.36Å; H78-S217 WeakPolarHBondContact CD2-CB 3.41Å; I79-S217 PolarHBondContact N-O 3.01Å; S217-N276 PolarHBondContact OG-ND2 2.83Å
218	Y	98.9	Very high	98.2	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.016	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.5	-177	-177.6	-85.9	0	0	0	112.4	I79 A81 F134 C135 L204 E207 V208 A211 L216	I79-Y218 HydrophobicContact CB-CD2 3.8Å; I79-Y218 HydrophobicContact CB-CE2 4.47Å; I79-Y218 HydrophobicContact CG2-CD2 3.63Å; I79-Y218 HydrophobicContact CG2-CE2 3.78Å; I79-Y218 WeakPolarHBondContact O-CA 3.47Å; A81-Y218 HydrophobicContact CB-CE2 3.75Å; A81-Y218 WeakPolarHBondContact CB-OH 3.29Å; F134-Y218 AromaticContact CD1-CD1 3.79Å; F134-Y218 HydrophobicContact CD1-CD1 3.79Å; F134-Y218 AromaticContact CD1-CE1 3.99Å; F134-Y218 HydrophobicContact CD1-CE1 3.99Å; F134-Y218 HydrophobicContact CE1-CD1 4.06Å; F134-Y218 AromaticContact CE1-CE1 3.78Å; F134-Y218 HydrophobicContact CE1-CE1 3.78Å; C135-Y218 PolarHBondContact N-O 3.42Å; L204-Y218 HydrophobicContact CD1-CE1 3.94Å; E207-Y218 HydrophobicContact CG-CE2 3.87Å; E207-Y218 PolarHBondContact OE1-OH 2.91Å; V208-Y218 HydrophobicContact CB-CD1 3.97Å; V208-Y218 HydrophobicContact CB-CE1 3.71Å; V208-Y218 HydrophobicContact CG2-CD1 3.68Å; V208-Y218 HydrophobicContact CG2-CE1 3.86Å; A211-Y218 HydrophobicContact CB-CD2 3.56Å; A211-Y218 HydrophobicContact CB-CE2 4.5Å; A211-Y218 HydrophobicContact CB-CG 3.81Å; L216-Y218 PolarHBondContact O-N 3.48Å
219	A	98.8	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.8	167.5	0	0	0	0	0	111.1	I79 L80 A81 T138 R139 L142	I79-A219 PolarHBondContact O-N 3.29Å; L80-A219 HydrophobicContact CD2-CB 4.34Å; A81-A219 PolarHBondContact N-O 2.97Å; T138-A219 HydrophobicContact CG2-CB 3.6Å; R139-A219 HydrophobicContact CG-CB 4.18Å; L142-A219 HydrophobicContact CD1-CB 3.67Å
220	S	98.5	Very high	98.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134	-179.6	174.5	0	0	0	0	111	A81 N83 L100	A81-S220 WeakPolarHBondContact O-CA 3.3Å; N83-S220 PolarHBondContact OD1-OG 3.26Å; L100-S220 PolarHBondContact N-O 3.32Å
221	I	98.2	Very high	97.8	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113	165.4	-173	165.1	0	0	0	109.1	A81 T82 N83 F97 L142 V253 I256 L257	A81-I221 PolarHBondContact O-N 3.08Å; T82-I221 WeakPolarHBondContact CA-O 3.44Å; T82-I221 HydrophobicContact CG2-CG2 4.01Å; N83-I221 PolarHBondContact N-O 3.31Å; F97-I221 HydrophobicContact CB-CD1 4Å; F97-I221 HydrophobicContact CB-CG1 4.03Å; F97-I221 HydrophobicContact CG-CD1 4.43Å; L142-I221 HydrophobicContact CD1-CB 4.42Å; I221-V253 HydrophobicContact CD1-CG2 4.41Å; I221-V253 HydrophobicContact CG2-CG2 3.68Å; I221-I256 HydrophobicContact CD1-CD1 3.79Å; I221-I256 HydrophobicContact CD1-CG2 3.93Å; I221-L257 HydrophobicContact CG2-CD2 4.05Å
222	A	97.7	Very high	97.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144	175	0	0	0	0	0	110.4	N83 C85 F97 V98 L100 L199	N83-A222 CarbonylContact O-C 3.55Å; N83-A222 VanDerWaalsContact O-CA 3.25Å; N83-A222 WeakPolarHBondContact O-CA 3.49Å; C85-A222 HydrophobicContact CB-CB 4.41Å; C85-A222 VanDerWaalsContact SG-CB 3.55Å; F97-A222 CarbonylContact C-O 3.49Å; F97-A222 WeakPolarHBondContact CA-O 3.49Å; V98-A222 HydrophobicContact CB-CB 4.24Å; V98-A222 PolarHBondContact N-O 3.43Å; V98-A222 PolarHBondContact O-N 2.84Å; L100-A222 HydrophobicContact CD1-CB 4.37Å; L100-A222 HydrophobicContact CD2-CB 4.13Å; L100-A222 HydrophobicContact CG-CB 4.22Å; L199-A222 HydrophobicContact CD1-CB 3.62Å
223	I	97.3	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.8	173.7	-54.8	164.4	0	0	0	106.3	N83 C85 F97 T225 F246 V253	N83-I223 PolarHBondContact O-N 3.45Å; C85-I223 PolarHBondContact N-O 3.27Å; F97-I223 HydrophobicContact CD1-CB 4.46Å; F97-I223 HydrophobicContact CD1-CG1 4.04Å; F97-I223 HydrophobicContact CD1-CG2 4.45Å; F97-I223 HydrophobicContact CE1-CG1 4.13Å; F97-I223 HydrophobicContact CE1-CG2 4.15Å; I223-T225 HydrophobicContact CG2-CG2 4.36Å; I223-T225 PolarHBondContact O-N 2.98Å; I223-F246 HydrophobicContact CD1-CD2 4.02Å; I223-F246 HydrophobicContact CD1-CE2 3.5Å; I223-F246 HydrophobicContact CD1-CZ 4.01Å; I223-V253 HydrophobicContact CD1-CB 4.29Å; I223-V253 HydrophobicContact CD1-CG1 3.84Å; I223-V253 HydrophobicContact CD1-CG2 4.32Å; I223-V253 HydrophobicContact CG1-CB 4.45Å; I223-V253 HydrophobicContact CG1-CG2 4.35Å
224	V	97.2	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119	178.2	-175.2	0	0	0	0	108.6	C85 K93 P94 G95 D96 V98 L199	C85-V224 WeakPolarHBondContact O-CA 3.5Å; K93-V224 VanDerWaalsContact C-CG1 3.5Å; K93-V224 WeakPolarHBondContact O-CB 3.18Å; K93-V224 WeakPolarHBondContact O-CG1 3.47Å; P94-V224 CarbonylContact C-O 3.58Å; P94-V224 WeakPolarHBondContact CA-O 3.28Å; G95-V224 PolarHBondContact N-O 3.38Å; D96-V224 HydrophobicContact CB-CB 4.46Å; D96-V224 HydrophobicContact CB-CG2 4.21Å; D96-V224 PolarHBondContact O-N 2.95Å; V98-V224 HydrophobicContact CG2-CG2 4.12Å; L199-V224 HydrophobicContact CD2-CG2 3.86Å
225	T	96.5	Very high	95.4	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-25.6	-175.4	46.6	0	0	0	0	114.1	A84 C85 I223 V242 Q245 F246	A84-T225 HydrophobicContact CB-CG2 4.15Å; C85-T225 PolarHBondContact O-N 3.37Å; C85-T225 PolarHBondContact O-OG1 2.87Å; I223-T225 HydrophobicContact CG2-CG2 4.36Å; I223-T225 PolarHBondContact O-N 2.98Å; T225-V242 HydrophobicContact CG2-CG1 4.22Å; T225-Q245 HydrophobicContact CG2-CB 4.32Å; T225-Q245 HydrophobicContact CG2-CG 4.44Å; T225-Q245 WeakPolarHBondContact O-CB 3.47Å; T225-F246 HydrophobicContact CG2-CB 4.36Å
226	D	96.9	Very high	95.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	179.4	-170	55.8	85.7	0	0	0	109.8	G86 S87 D228 V237	G86-D226 WeakPolarHBondContact CA-OD1 3.47Å; S87-D226 WeakPolarHBondContact CB-O 3.4Å; S87-D226 PolarHBondContact N-O 3.23Å; D226-D228 VanDerWaalsContact OD1-CA 3.28Å; D226-D228 WeakPolarHBondContact OD1-CA 3.42Å; D226-D228 PolarHBondContact OD1-N 3.45Å; D226-V237 HydrophobicContact CB-CB 4.23Å; D226-V237 HydrophobicContact CB-CG2 4.17Å; D226-V237 VanDerWaalsContact CG-CG2 3.41Å; D226-V237 WeakPolarHBondContact OD1-CB 3.47Å; D226-V237 WeakPolarHBondContact OD1-CG2 3.47Å
227	F	97.4	Very high	95.1	Very high	21 Å²	21	32.3 Å²	32.3	9%	0.092	17%	0.172	C	C	.	.			trans	-105.6	31.8	174.1	-71.8	-70.5	0	0	0	112.4	S87 K92 K93 P94 C229 W230 K231	S87-F227 CarbonylContact O-C 3.57Å; S87-F227 VanDerWaalsContact O-C 3.24Å; S87-F227 WeakPolarHBondContact O-CA 3.33Å; K92-F227 WeakPolarHBondContact O-CE1 3.38Å; K93-F227 HydrophobicContact CB-CZ 4.16Å; K93-F227 HydrophobicContact CG-CZ 4.04Å; P94-F227 VanDerWaalsContact CD-CZ 3.41Å; P94-F227 HydrophobicContact CG-CD2 4.08Å; P94-F227 HydrophobicContact CG-CE2 3.94Å; P94-F227 HydrophobicContact CG-CZ 4.45Å; F227-C229 PolarHBondContact O-N 3Å; F227-C229 VanDerWaalsContact O-N 3.1Å; F227-W230 HydrophobicContact CD1-CZ2 4.01Å; F227-W230 PolarHBondContact O-NE1 2.83Å; F227-W230 VanDerWaalsContact O-NE1 3.08Å; F227-K231 HydrophobicContact CB-CD 3.74Å; F227-K231 HydrophobicContact CB-CG 4.2Å; F227-K231 HydrophobicContact CD1-CD 3.99Å; F227-K231 HydrophobicContact CD2-CD 3.72Å; F227-K231 HydrophobicContact CE1-CD 4.5Å; F227-K231 HydrophobicContact CE2-CD 4.25Å; F227-K231 HydrophobicContact CG-CD 3.57Å
228	D	97.9	Very high	94.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-115.2	-172.8	-170.7	39.5	0	0	0	110.7	L88 S189 I200 D226 V237	L88-D228 HydrophobicContact CD2-CB 4.21Å; S189-D228 WeakPolarHBondContact CB-OD2 3.32Å; S189-D228 PolarHBondContact OG-OD2 3.17Å; I200-D228 HydrophobicContact CG2-CB 3.95Å; D226-D228 VanDerWaalsContact OD1-CA 3.28Å; D226-D228 WeakPolarHBondContact OD1-CA 3.42Å; D226-D228 PolarHBondContact OD1-N 3.45Å; D228-V237 PolarHBondContact O-N 2.93Å
229	C	97.3	Very high	94.5	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.068	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	19.8	178.4	61.8	0	0	0	0	115	S184 R186 S189 F227 H236	S184-C229 PolarHBondContact O-SG 3.21Å; S184-C229 VanDerWaalsContact O-SG 3.34Å; R186-C229 WeakPolarHBondContact CG-O 3.36Å; R186-C229 PolarHBondContact NE-O 3.38Å; S189-C229 VanDerWaalsContact CB-SG 3.57Å; F227-C229 PolarHBondContact O-N 3Å; F227-C229 VanDerWaalsContact O-N 3.1Å; C229-H236 HydrophobicContact CB-CB 3.96Å
230	W	96.7	Very high	94.3	Very high	27 Å²	27	44.8 Å²	44.8	10%	0.102	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-24.3	-179	63.8	-90.7	0	0	0	113.8	S87 K90 S189 L190 F227	S87-W230 PolarHBondContact O-NE1 3.37Å; K90-W230 HydrophobicContact CG-CH2 3.54Å; K90-W230 HydrophobicContact CG-CZ2 4.44Å; K90-W230 HydrophobicContact CG-CZ3 4.28Å; S189-W230 WeakPolarHBondContact OG-CB 3.38Å; S189-W230 PolarHBondContact OG-N 3.46Å; L190-W230 HydrophobicContact CD2-CB 3.98Å; L190-W230 HydrophobicContact CG-CB 4.43Å; F227-W230 HydrophobicContact CD1-CZ2 4.01Å; F227-W230 PolarHBondContact O-NE1 2.83Å; F227-W230 VanDerWaalsContact O-NE1 3.08Å
231	K	92.3	Very high	94	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.148	26%	0.256	C	S	.	.			trans	-77.8	130.3	175.2	-66.3	-174.9	86.3	-171.8	0	109.9	F227 E234	F227-K231 HydrophobicContact CB-CD 3.74Å; F227-K231 HydrophobicContact CB-CG 4.2Å; F227-K231 HydrophobicContact CD1-CD 3.99Å; F227-K231 HydrophobicContact CD2-CD 3.72Å; F227-K231 HydrophobicContact CE1-CD 4.5Å; F227-K231 HydrophobicContact CE2-CD 4.25Å; F227-K231 HydrophobicContact CG-CD 3.57Å; K231-E234 HydrophobicContact CB-CB 3.92Å; K231-E234 HydrophobicContact CB-CG 4.09Å; K231-E234 HydrophobicContact CD-CB 4.37Å; K231-E234 HydrophobicContact CD-CG 3.88Å; K231-E234 IonicContact NZ-OE1 3.63Å; K231-E234 PolarHBondContact NZ-OE1 3.17Å
232	A	87.8	Confident	93.7	Very high	95 Å²	95	48 Å²	48	79%	0.785	26%	0.263	S	S	*	.	S	Bend	trans	-88	-19.9	178.7	0	0	0	0	0	112.7
233	D	88.9	Confident	93.4	Very high	132 Å²	132	51 Å²	51	71%	0.706	28%	0.279	S	S	*	.	S	Bend	trans	-100.5	5	-175.1	59.4	-32.5	0	0	0	113.6
234	E	84.1	Confident	93.3	Very high	92 Å²	92	56 Å²	56	43%	0.43	30%	0.302	S	S	.	.	S	Bend	trans	-130.7	158.1	-178	-63.7	-102.8	-148.7	0	0	110.1	K231 H236	K231-E234 HydrophobicContact CB-CB 3.92Å; K231-E234 HydrophobicContact CB-CG 4.09Å; K231-E234 HydrophobicContact CD-CB 4.37Å; K231-E234 HydrophobicContact CD-CG 3.88Å; K231-E234 IonicContact NZ-OE1 3.63Å; K231-E234 PolarHBondContact NZ-OE1 3.17Å; E234-H236 PolarHBondContact O-N 3.36Å
235	E	85.9	Confident	93.2	Very high	150 Å²	150	57.7 Å²	57.7	70%	0.701	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-64.3	135.1	175.4	-67	-174.7	175	0	0	110.8	M241	E235-M241 HydrophobicContact CB-CE 3.76Å; E235-M241 HydrophobicContact CB-SD 3.72Å
236	H	94.9	Very high	92.9	Very high	81 Å²	81	58.5 Å²	58.5	38%	0.375	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-77.7	146.4	175.8	-50.3	126.5	0	0	0	110.4	R186 C229 E234 C238 M241	R186-H236 PolarHBondContact NH2-CE1 3.24Å; R186-H236 PolarHBondContact NH2-NE2 3.4Å; C229-H236 HydrophobicContact CB-CB 3.96Å; E234-H236 PolarHBondContact O-N 3.36Å; H236-C238 PolarHBondContact O-N 2.92Å; H236-M241 VanDerWaalsContact O-SD 3.36Å
237	V	94.8	Very high	92.6	Very high	17 Å²	17	66.6 Å²	66.6	10%	0.103	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-47.2	131	-178.9	65.1	0	0	0	0	113	F183 D226 D228 V242	F183-V237 HydrophobicContact CB-CG1 3.78Å; F183-V237 HydrophobicContact CD1-CG1 3.8Å; F183-V237 HydrophobicContact CD1-CG2 3.85Å; F183-V237 HydrophobicContact CD2-CG1 4.18Å; F183-V237 HydrophobicContact CD2-CG2 4.45Å; F183-V237 HydrophobicContact CE1-CG1 4.44Å; F183-V237 HydrophobicContact CE1-CG2 3.62Å; F183-V237 HydrophobicContact CE2-CG2 4.26Å; F183-V237 HydrophobicContact CG-CG1 3.66Å; F183-V237 HydrophobicContact CG-CG2 4.27Å; F183-V237 HydrophobicContact CZ-CG2 3.85Å; D226-V237 HydrophobicContact CB-CB 4.23Å; D226-V237 HydrophobicContact CB-CG2 4.17Å; D226-V237 VanDerWaalsContact CG-CG2 3.41Å; D226-V237 WeakPolarHBondContact OD1-CB 3.47Å; D226-V237 WeakPolarHBondContact OD1-CG2 3.47Å; D228-V237 PolarHBondContact O-N 2.93Å; V237-V242 HydrophobicContact CG2-CG2 3.7Å
238	C	93.9	Very high	92.4	Very high	52 Å²	52	72 Å²	72	35%	0.351	37%	0.366	S	S	.	.			trans	-141.5	167	168.3	75.9	0	0	0	0	109	H236 D240 M241 V242	H236-C238 PolarHBondContact O-N 2.92Å; C238-D240 VanDerWaalsContact C-N 3.26Å; C238-D240 PolarHBondContact O-N 3.1Å; C238-M241 PolarHBondContact O-N 3.5Å; C238-V242 WeakPolarHBondContact O-CG2 3.39Å; C238-V242 PolarHBondContact O-N 3.48Å; C238-V242 VanDerWaalsContact O-N 3.17Å
239	V	92.9	Very high	92.2	Very high	89 Å²	89	72 Å²	72	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-40.4	-177.4	177.1	0	0	0	0	111.6	F183 V242 L243	F183-V239 HydrophobicContact CE2-CG2 4.26Å; V239-V242 PolarHBondContact O-N 2.9Å; V239-L243 HydrophobicContact CG1-CD1 3.82Å; V239-L243 HydrophobicContact CG1-CG 4.17Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.31Å; V239-L243 PolarHBondContact O-N 2.96Å
240	D	93.8	Very high	91.8	Very high	124 Å²	124	73 Å²	73	66%	0.663	37%	0.373	S	S	*	.	H	α-helix	trans	-64.6	-44.2	-177.7	-66.8	-24.1	0	0	0	112.1	C238 V242 L243 E244	C238-D240 VanDerWaalsContact C-N 3.26Å; C238-D240 PolarHBondContact O-N 3.1Å; D240-V242 VanDerWaalsContact C-N 3.35Å; D240-V242 PolarHBondContact O-N 3.15Å; D240-L243 PolarHBondContact O-N 2.81Å; D240-E244 WeakPolarHBondContact O-CB 3.4Å; D240-E244 PolarHBondContact O-N 3.31Å
241	M	92.4	Very high	91.6	Very high	44 Å²	44	73.7 Å²	73.7	22%	0.217	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-45.9	174.9	-72.6	178	76.4	0	0	111.6	E235 H236 C238 L243 E244 Q245	E235-M241 HydrophobicContact CB-CE 3.76Å; E235-M241 HydrophobicContact CB-SD 3.72Å; H236-M241 VanDerWaalsContact O-SD 3.36Å; C238-M241 PolarHBondContact O-N 3.5Å; M241-L243 PolarHBondContact O-N 2.88Å; M241-E244 PolarHBondContact O-N 2.81Å; M241-Q245 PolarHBondContact O-N 2.93Å
242	V	92.2	Very high	91.7	Very high	26 Å²	26	74.6 Å²	74.6	16%	0.158	39%	0.393	C	S	.	.	H	α-helix	trans	-60	-49	178.6	175	0	0	0	0	110.2	A84 F183 T225 V237 C238 V239 D240 F246	A84-V242 HydrophobicContact CB-CG1 4.33Å; F183-V242 HydrophobicContact CZ-CG2 4.27Å; T225-V242 HydrophobicContact CG2-CG1 4.22Å; V237-V242 HydrophobicContact CG2-CG2 3.7Å; C238-V242 WeakPolarHBondContact O-CG2 3.39Å; C238-V242 PolarHBondContact O-N 3.48Å; C238-V242 VanDerWaalsContact O-N 3.17Å; V239-V242 PolarHBondContact O-N 2.9Å; D240-V242 VanDerWaalsContact C-N 3.35Å; D240-V242 PolarHBondContact O-N 3.15Å; V242-F246 WeakPolarHBondContact O-CB 3.34Å; V242-F246 PolarHBondContact O-N 3.07Å
243	L	91.3	Very high	92	Very high	63 Å²	63	70.1 Å²	70.1	33%	0.33	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-41	-179.5	-70.1	177.7	0	0	0	112.5	V239 D240 M241 R247	V239-L243 HydrophobicContact CG1-CD1 3.82Å; V239-L243 HydrophobicContact CG1-CG 4.17Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.31Å; V239-L243 PolarHBondContact O-N 2.96Å; D240-L243 PolarHBondContact O-N 2.81Å; M241-L243 PolarHBondContact O-N 2.88Å; L243-R247 VanDerWaalsContact O-CG 3.27Å; L243-R247 WeakPolarHBondContact O-CG 3.26Å; L243-R247 PolarHBondContact O-N 2.79Å
244	E	94	Very high	92.2	Very high	103 Å²	103	66.7 Å²	66.7	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-51.8	178.8	-174.4	-176.5	161.9	0	0	111.2	D240 M241 F246 R247 K248	D240-E244 WeakPolarHBondContact O-CB 3.4Å; D240-E244 PolarHBondContact O-N 3.31Å; M241-E244 PolarHBondContact O-N 2.81Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.44Å; E244-R247 PolarHBondContact O-N 3.43Å; E244-K248 WeakPolarHBondContact O-CG 3.5Å; E244-K248 PolarHBondContact O-N 2.82Å; E244-K248 WeakPolarHBondContact OE1-CE 3.43Å; E244-K248 IonicContact OE1-NZ 3.92Å; E244-K248 PolarHBondContact OE1-NZ 3.26Å
245	Q	94.5	Very high	92.7	Very high	36 Å²	36	67 Å²	67	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-38.6	179.9	-173.5	55.5	54.6	0	0	111.4	P94 T225 M241 R247 K248 S249	P94-Q245 HydrophobicContact CB-CG 4.09Å; T225-Q245 HydrophobicContact CG2-CB 4.32Å; T225-Q245 HydrophobicContact CG2-CG 4.44Å; T225-Q245 WeakPolarHBondContact O-CB 3.47Å; M241-Q245 PolarHBondContact O-N 2.93Å; Q245-R247 VanDerWaalsContact C-N 3.35Å; Q245-R247 PolarHBondContact O-N 3.34Å; Q245-K248 WeakPolarHBondContact O-CB 3.48Å; Q245-K248 PolarHBondContact O-N 3.1Å; Q245-K248 VanDerWaalsContact O-N 3.14Å; Q245-S249 PolarHBondContact NE2-OG 2.9Å; Q245-S249 VanDerWaalsContact NE2-OG 3.14Å; Q245-S249 PolarHBondContact O-N 3.08Å; Q245-S249 PolarHBondContact O-OG 2.86Å
246	F	91	Very high	93.2	Very high	24 Å²	24	59.9 Å²	59.9	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-45.6	175.9	-170.1	-75.8	0	0	0	111.5	S8 A84 I223 T225 V242 E244 K248 S249 V250	S8-F246 WeakPolarHBondContact O-CE1 3.35Å; S8-F246 WeakPolarHBondContact O-CZ 3.49Å; A84-F246 HydrophobicContact CB-CD2 4.1Å; A84-F246 HydrophobicContact CB-CE2 4.46Å; I223-F246 HydrophobicContact CD1-CD2 4.02Å; I223-F246 HydrophobicContact CD1-CE2 3.5Å; I223-F246 HydrophobicContact CD1-CZ 4.01Å; T225-F246 HydrophobicContact CG2-CB 4.36Å; V242-F246 WeakPolarHBondContact O-CB 3.34Å; V242-F246 PolarHBondContact O-N 3.07Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.44Å; F246-K248 VanDerWaalsContact C-N 3.26Å; F246-K248 PolarHBondContact O-N 3.33Å; F246-S249 PolarHBondContact O-N 2.92Å; F246-S249 VanDerWaalsContact O-N 3.08Å; F246-V250 HydrophobicContact CD1-CB 4.14Å; F246-V250 HydrophobicContact CD1-CG2 4.44Å; F246-V250 HydrophobicContact CE1-CB 3.79Å; F246-V250 HydrophobicContact CE1-CG2 3.63Å; F246-V250 HydrophobicContact CZ-CG2 4.3Å; F246-V250 WeakPolarHBondContact O-CB 3.35Å; F246-V250 PolarHBondContact O-N 2.92Å
247	R	90.6	Very high	93.3	Very high	174 Å²	174	56.1 Å²	56.1	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-59.7	-35.5	176.6	-73.8	173.4	-165.4	140.1	3	112.5	L243 E244 Q245	L243-R247 VanDerWaalsContact O-CG 3.27Å; L243-R247 WeakPolarHBondContact O-CG 3.26Å; L243-R247 PolarHBondContact O-N 2.79Å; E244-R247 PolarHBondContact O-N 3.43Å; Q245-R247 VanDerWaalsContact C-N 3.35Å; Q245-R247 PolarHBondContact O-N 3.34Å
248	K	93.5	Very high	93.3	Very high	134 Å²	134	57 Å²	57	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-69.7	-34.1	175.9	-66	172	-173.5	168	0	112.1	E244 Q245 F246	E244-K248 WeakPolarHBondContact O-CG 3.5Å; E244-K248 PolarHBondContact O-N 2.82Å; E244-K248 WeakPolarHBondContact OE1-CE 3.43Å; E244-K248 IonicContact OE1-NZ 3.92Å; E244-K248 PolarHBondContact OE1-NZ 3.26Å; Q245-K248 WeakPolarHBondContact O-CB 3.48Å; Q245-K248 PolarHBondContact O-N 3.1Å; Q245-K248 VanDerWaalsContact O-N 3.14Å; F246-K248 VanDerWaalsContact C-N 3.26Å; F246-K248 PolarHBondContact O-N 3.33Å
249	S	93.4	Very high	93.4	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-94.1	-18.3	-174.5	-62.2	0	0	0	0	114.8	Q245 F246 G251 Q252 V253	Q245-S249 PolarHBondContact NE2-OG 2.9Å; Q245-S249 VanDerWaalsContact NE2-OG 3.14Å; Q245-S249 PolarHBondContact O-N 3.08Å; Q245-S249 PolarHBondContact O-OG 2.86Å; F246-S249 PolarHBondContact O-N 2.92Å; F246-S249 VanDerWaalsContact O-N 3.08Å; S249-G251 VanDerWaalsContact C-N 3.32Å; S249-G251 PolarHBondContact O-N 2.9Å; S249-Q252 PolarHBondContact O-N 2.66Å; S249-V253 PolarHBondContact O-N 3.43Å
250	V	90	Very high	93.7	Very high	30 Å²	30	51 Å²	51	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-36.2	-170.9	71.6	0	0	0	0	113.4	F246 Q252 V253 R254	F246-V250 HydrophobicContact CD1-CB 4.14Å; F246-V250 HydrophobicContact CD1-CG2 4.44Å; F246-V250 HydrophobicContact CE1-CB 3.79Å; F246-V250 HydrophobicContact CE1-CG2 3.63Å; F246-V250 HydrophobicContact CZ-CG2 4.3Å; F246-V250 WeakPolarHBondContact O-CB 3.35Å; F246-V250 PolarHBondContact O-N 2.92Å; V250-Q252 PolarHBondContact O-N 3.01Å; V250-V253 HydrophobicContact CG2-CG1 4.48Å; V250-V253 WeakPolarHBondContact O-CG1 3.49Å; V250-R254 VanDerWaalsContact O-CB 3.29Å; V250-R254 WeakPolarHBondContact O-CB 3.48Å; V250-R254 PolarHBondContact O-N 3.42Å
251	G	91.8	Very high	93.9	Very high	41 Å²	41	45.1 Å²	45.1	42%	0.423	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-46.4	177.7	0	0	0	0	0	111.8	S249 R254 E255	S249-G251 VanDerWaalsContact C-N 3.32Å; S249-G251 PolarHBondContact O-N 2.9Å; G251-R254 WeakPolarHBondContact O-CB 3.37Å; G251-R254 PolarHBondContact O-N 2.85Å; G251-E255 WeakPolarHBondContact O-CG 3.35Å; G251-E255 PolarHBondContact O-N 2.83Å; G251-E255 VanDerWaalsContact O-N 3.08Å
252	Q	94.5	Very high	94.2	Very high	54 Å²	54	47.3 Å²	47.3	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-67.4	-44.7	-178.1	-168.7	68.4	82.3	0	0	112.3	F97 L151 S249 V250 R254 E255 I256	F97-Q252 HydrophobicContact CE2-CB 4.11Å; F97-Q252 HydrophobicContact CE2-CG 3.73Å; F97-Q252 HydrophobicContact CZ-CB 3.76Å; F97-Q252 HydrophobicContact CZ-CG 3.92Å; L151-Q252 HydrophobicContact CD1-CG 3.94Å; L151-Q252 HydrophobicContact CD2-CG 4.01Å; L151-Q252 VanDerWaalsContact CD2-OE1 3.26Å; S249-Q252 PolarHBondContact O-N 2.66Å; V250-Q252 PolarHBondContact O-N 3.01Å; Q252-R254 VanDerWaalsContact C-N 3.29Å; Q252-R254 PolarHBondContact O-N 2.91Å; Q252-E255 PolarHBondContact NE2-OE2 2.78Å; Q252-E255 PolarHBondContact O-N 3.33Å; Q252-I256 WeakPolarHBondContact O-CG1 3.31Å; Q252-I256 PolarHBondContact O-N 2.95Å
253	V	93.9	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-36.3	177.1	66.6	0	0	0	0	111.2	F10 T82 F97 I221 I223 S249 V250 E255 I256 L257	F10-V253 HydrophobicContact CZ-CG1 4.03Å; T82-V253 HydrophobicContact CG2-CG2 3.78Å; F97-V253 HydrophobicContact CD1-CB 4.42Å; F97-V253 HydrophobicContact CE1-CB 3.99Å; I221-V253 HydrophobicContact CD1-CG2 4.41Å; I221-V253 HydrophobicContact CG2-CG2 3.68Å; I223-V253 HydrophobicContact CD1-CB 4.29Å; I223-V253 HydrophobicContact CD1-CG1 3.84Å; I223-V253 HydrophobicContact CD1-CG2 4.32Å; I223-V253 HydrophobicContact CG1-CB 4.45Å; I223-V253 HydrophobicContact CG1-CG2 4.35Å; S249-V253 PolarHBondContact O-N 3.43Å; V250-V253 HydrophobicContact CG2-CG1 4.48Å; V250-V253 WeakPolarHBondContact O-CG1 3.49Å; V253-E255 PolarHBondContact O-N 2.84Å; V253-I256 PolarHBondContact O-N 2.72Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 2.94Å
254	R	92.7	Very high	94.8	Very high	61 Å²	61	44 Å²	44	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-47.2	173.9	178.6	-175.3	177.1	179.3	7.4	111	F10 D12 L15 V250 G251 Q252 I256 L257 L258	F10-R254 HydrophobicContact CE1-CB 4.28Å; D12-R254 IonicContact OD2-CZ 3.33Å; D12-R254 IonicContact OD2-NH1 3.96Å; D12-R254 PolarHBondContact OD2-NH1 3.39Å; D12-R254 IonicContact OD2-NH2 2.69Å; D12-R254 PolarHBondContact OD2-NH2 3.02Å; L15-R254 HydrophobicContact CD1-CG 3.76Å; V250-R254 VanDerWaalsContact O-CB 3.29Å; V250-R254 WeakPolarHBondContact O-CB 3.48Å; V250-R254 PolarHBondContact O-N 3.42Å; G251-R254 WeakPolarHBondContact O-CB 3.37Å; G251-R254 PolarHBondContact O-N 2.85Å; Q252-R254 VanDerWaalsContact C-N 3.29Å; Q252-R254 PolarHBondContact O-N 2.91Å; R254-I256 VanDerWaalsContact C-N 3.34Å; R254-I256 PolarHBondContact O-N 3.35Å; R254-L257 PolarHBondContact O-N 3.45Å; R254-L258 HydrophobicContact CG-CD1 4.02Å; R254-L258 HydrophobicContact CG-CG 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.28Å; R254-L258 WeakPolarHBondContact O-CG 3.38Å; R254-L258 PolarHBondContact O-N 3.17Å
255	E	94.6	Very high	95	Very high	99 Å²	99	41.4 Å²	41.4	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-59.3	-44.3	176.6	-70	-179.5	167.8	0	0	112.1	L149 G251 Q252 V253 L257 L258 E259	L149-E255 HydrophobicContact CD1-CB 3.8Å; L149-E255 HydrophobicContact CD2-CB 4.42Å; G251-E255 WeakPolarHBondContact O-CG 3.35Å; G251-E255 PolarHBondContact O-N 2.83Å; G251-E255 VanDerWaalsContact O-N 3.08Å; Q252-E255 PolarHBondContact NE2-OE2 2.78Å; Q252-E255 PolarHBondContact O-N 3.33Å; V253-E255 PolarHBondContact O-N 2.84Å; E255-L257 PolarHBondContact O-N 3.35Å; E255-L258 PolarHBondContact O-N 3.28Å; E255-E259 WeakPolarHBondContact O-CB 3.42Å; E255-E259 PolarHBondContact O-N 3.03Å
256	I	96.7	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-48.1	176.5	-65.3	167.5	0	0	0	110.4	F97 L142 A145 A146 L149 L151 V169 I221 Q252 V253 R254 E259 A260	F97-I256 HydrophobicContact CD2-CD1 4.47Å; L142-I256 HydrophobicContact CD2-CG2 4.17Å; A145-I256 HydrophobicContact CB-CG2 4.19Å; A145-I256 WeakPolarHBondContact CB-O 3.48Å; A146-I256 HydrophobicContact CB-CD1 4.49Å; L149-I256 HydrophobicContact CD1-CB 4.39Å; L149-I256 HydrophobicContact CD1-CG1 3.88Å; L151-I256 HydrophobicContact CD1-CD1 3.58Å; L151-I256 HydrophobicContact CD1-CG1 3.72Å; V169-I256 HydrophobicContact CG2-CD1 4.26Å; I221-I256 HydrophobicContact CD1-CD1 3.79Å; I221-I256 HydrophobicContact CD1-CG2 3.93Å; Q252-I256 WeakPolarHBondContact O-CG1 3.31Å; Q252-I256 PolarHBondContact O-N 2.95Å; V253-I256 PolarHBondContact O-N 2.72Å; R254-I256 VanDerWaalsContact C-N 3.34Å; R254-I256 PolarHBondContact O-N 3.35Å; I256-E259 PolarHBondContact O-N 3.34Å; I256-A260 VanDerWaalsContact O-CB 3.28Å; I256-A260 WeakPolarHBondContact O-CB 3.43Å; I256-A260 PolarHBondContact O-N 2.96Å
257	L	95.9	Very high	95.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-43.5	179.8	-66.3	-174.4	0	0	0	112.3	I4 F10 L80 T82 L142 I221 V253 R254 E255 E259 A260 V261	I4-L257 HydrophobicContact CG2-CD1 3.97Å; F10-L257 HydrophobicContact CD1-CD1 4.47Å; F10-L257 HydrophobicContact CE1-CD1 3.49Å; F10-L257 VanDerWaalsContact CE1-CD1 3.49Å; F10-L257 HydrophobicContact CZ-CD1 3.52Å; L80-L257 HydrophobicContact CB-CD2 3.95Å; L80-L257 HydrophobicContact CD1-CD2 4.11Å; T82-L257 HydrophobicContact CG2-CD1 3.69Å; L142-L257 HydrophobicContact CD2-CD2 3.88Å; I221-L257 HydrophobicContact CG2-CD2 4.05Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 2.94Å; R254-L257 PolarHBondContact O-N 3.45Å; E255-L257 PolarHBondContact O-N 3.35Å; L257-E259 VanDerWaalsContact C-N 3.28Å; L257-E259 PolarHBondContact O-N 2.91Å; L257-A260 PolarHBondContact O-N 3.42Å; L257-V261 WeakPolarHBondContact O-CB 3.36Å; L257-V261 VanDerWaalsContact O-CG2 3.26Å; L257-V261 WeakPolarHBondContact O-CG2 3.34Å; L257-V261 PolarHBondContact O-N 3.37Å
258	L	95.1	Very high	95.8	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-36.6	178.6	-69	176.4	0	0	0	112	L15 V40 R254 E255 R262	L15-L258 HydrophobicContact CD1-CD1 4.32Å; L15-L258 HydrophobicContact CD1-CD2 3.73Å; L15-L258 HydrophobicContact CD1-CG 4.2Å; V40-L258 HydrophobicContact CB-CD2 4.17Å; V40-L258 HydrophobicContact CG1-CB 4.22Å; V40-L258 HydrophobicContact CG1-CD2 3.43Å; V40-L258 VanDerWaalsContact CG1-CD2 3.43Å; V40-L258 HydrophobicContact CG1-CG 4.43Å; V40-L258 HydrophobicContact CG2-CD2 3.64Å; R254-L258 HydrophobicContact CG-CD1 4.02Å; R254-L258 HydrophobicContact CG-CG 4.35Å; R254-L258 VanDerWaalsContact O-CG 3.28Å; R254-L258 WeakPolarHBondContact O-CG 3.38Å; R254-L258 PolarHBondContact O-N 3.17Å; E255-L258 PolarHBondContact O-N 3.28Å; L258-R262 PolarHBondContact O-N 3.29Å
259	E	97.7	Very high	96	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-74.1	-39.1	174.2	-179.5	58	-169.5	0	0	112.5	K41 A145 N148 L149 E255 I256 L257 V261 R262 L263	K41-E259 IonicContact NZ-OE2 2.71Å; K41-E259 PolarHBondContact NZ-OE2 2.67Å; A145-E259 HydrophobicContact CB-CB 4Å; A145-E259 HydrophobicContact CB-CG 3.86Å; N148-E259 HydrophobicContact CB-CG 4.15Å; N148-E259 PolarHBondContact ND2-OE1 3.14Å; L149-E259 HydrophobicContact CD1-CB 4.41Å; E255-E259 WeakPolarHBondContact O-CB 3.42Å; E255-E259 PolarHBondContact O-N 3.03Å; I256-E259 PolarHBondContact O-N 3.34Å; L257-E259 VanDerWaalsContact C-N 3.28Å; L257-E259 PolarHBondContact O-N 2.91Å; E259-V261 VanDerWaalsContact C-N 3.35Å; E259-V261 PolarHBondContact O-N 3Å; E259-R262 WeakPolarHBondContact O-CB 3.21Å; E259-R262 PolarHBondContact O-N 3.03Å; E259-R262 IonicContact OE1-CZ 2.87Å; E259-R262 IonicContact OE1-NE 2.75Å; E259-R262 PolarHBondContact OE1-NE 3.22Å; E259-R262 VanDerWaalsContact OE1-NE 3.14Å; E259-R262 IonicContact OE1-NH2 2.84Å; E259-R262 PolarHBondContact OE1-NH2 2.78Å; E259-R262 IonicContact OE2-CZ 2.77Å; E259-R262 IonicContact OE2-NE 2.68Å; E259-R262 PolarHBondContact OE2-NE 3.2Å; E259-R262 IonicContact OE2-NH2 3.21Å; E259-L263 HydrophobicContact CG-CD1 4.33Å; E259-L263 WeakPolarHBondContact O-CG 3.42Å; E259-L263 PolarHBondContact O-N 3.06Å
260	A	98.3	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-44	174.8	0	0	0	0	0	111.7	L80 V141 L142 A145 I256 L257 R262 L263 I264	L80-A260 HydrophobicContact CD1-CB 3.89Å; V141-A260 HydrophobicContact CG1-CB 4Å; V141-A260 WeakPolarHBondContact CG1-O 3.49Å; L142-A260 HydrophobicContact CD2-CB 3.83Å; A145-A260 HydrophobicContact CB-CB 3.94Å; I256-A260 VanDerWaalsContact O-CB 3.28Å; I256-A260 WeakPolarHBondContact O-CB 3.43Å; I256-A260 PolarHBondContact O-N 2.96Å; L257-A260 PolarHBondContact O-N 3.42Å; A260-R262 VanDerWaalsContact C-N 3.31Å; A260-R262 PolarHBondContact O-N 3.14Å; A260-L263 PolarHBondContact O-N 3.16Å; A260-I264 WeakPolarHBondContact O-CG1 3.25Å; A260-I264 PolarHBondContact O-N 3.44Å
261	V	97.9	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.1	-44.8	174.9	167.5	0	0	0	0	111.7	V2 I4 V40 V43 C45 L80 L257 E259 L263 I264 G265	V2-V261 HydrophobicContact CB-CG2 4.31Å; V2-V261 HydrophobicContact CG1-CG2 4.03Å; I4-V261 HydrophobicContact CD1-CG2 4.15Å; V40-V261 HydrophobicContact CB-CB 4.43Å; V40-V261 HydrophobicContact CB-CG1 3.75Å; V40-V261 HydrophobicContact CG1-CB 3.98Å; V40-V261 HydrophobicContact CG1-CG1 3.74Å; V43-V261 HydrophobicContact CB-CG1 3.74Å; V43-V261 HydrophobicContact CG1-CG1 3.95Å; V43-V261 HydrophobicContact CG2-CG1 4.29Å; C45-V261 WeakPolarHBondContact SG-CG1 3.44Å; L80-V261 HydrophobicContact CD1-CG2 4.13Å; L257-V261 WeakPolarHBondContact O-CB 3.36Å; L257-V261 VanDerWaalsContact O-CG2 3.26Å; L257-V261 WeakPolarHBondContact O-CG2 3.34Å; L257-V261 PolarHBondContact O-N 3.37Å; E259-V261 VanDerWaalsContact C-N 3.35Å; E259-V261 PolarHBondContact O-N 3Å; V261-L263 VanDerWaalsContact C-N 3.34Å; V261-L263 PolarHBondContact O-N 3.24Å; V261-I264 PolarHBondContact O-N 3.3Å; V261-G265 PolarHBondContact O-N 3.14Å
262	R	97.8	Very high	97	Very high	90 Å²	90	46.9 Å²	46.9	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.7	-166.9	-165	64.3	80.4	-5.3	111.8	K41 L258 E259 A260 G265 A266	K41-R262 HydrophobicContact CB-CB 4.3Å; K41-R262 HydrophobicContact CB-CG 4.06Å; K41-R262 HydrophobicContact CD-CB 3.87Å; K41-R262 HydrophobicContact CD-CG 3.83Å; L258-R262 PolarHBondContact O-N 3.29Å; E259-R262 WeakPolarHBondContact O-CB 3.21Å; E259-R262 PolarHBondContact O-N 3.03Å; E259-R262 IonicContact OE1-CZ 2.87Å; E259-R262 IonicContact OE1-NE 2.75Å; E259-R262 PolarHBondContact OE1-NE 3.22Å; E259-R262 VanDerWaalsContact OE1-NE 3.14Å; E259-R262 IonicContact OE1-NH2 2.84Å; E259-R262 PolarHBondContact OE1-NH2 2.78Å; E259-R262 IonicContact OE2-CZ 2.77Å; E259-R262 IonicContact OE2-NE 2.68Å; E259-R262 PolarHBondContact OE2-NE 3.2Å; E259-R262 IonicContact OE2-NH2 3.21Å; A260-R262 VanDerWaalsContact C-N 3.31Å; A260-R262 PolarHBondContact O-N 3.14Å; R262-G265 PolarHBondContact O-N 2.69Å; R262-A266 PolarHBondContact O-N 2.88Å
263	L	98.6	Very high	97.2	Very high	13 Å²	13	46 Å²	46	7%	0.068	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-42	179	-71.2	172.6	0	0	0	111.5	V141 K144 A145 E259 A260 V261 G265 A266	V141-L263 HydrophobicContact CG1-CB 3.64Å; V141-L263 HydrophobicContact CG1-CD1 4.19Å; K144-L263 HydrophobicContact CB-CD1 4.17Å; K144-L263 HydrophobicContact CD-CD1 4.17Å; K144-L263 HydrophobicContact CD-CD2 4.39Å; K144-L263 HydrophobicContact CG-CD1 3.93Å; A145-L263 HydrophobicContact CB-CD1 4.07Å; E259-L263 HydrophobicContact CG-CD1 4.33Å; E259-L263 WeakPolarHBondContact O-CG 3.42Å; E259-L263 PolarHBondContact O-N 3.06Å; A260-L263 PolarHBondContact O-N 3.16Å; V261-L263 VanDerWaalsContact C-N 3.34Å; V261-L263 PolarHBondContact O-N 3.24Å; L263-G265 PolarHBondContact O-N 2.87Å; L263-A266 PolarHBondContact O-N 3.23Å
264	I	98.7	Very high	97.4	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-49.2	173.9	-69.3	169.5	0	0	0	110.1	V2 H78 L80 T138 V141 A260 V261 A266 C267 W269	V2-I264 HydrophobicContact CG1-CD1 4.37Å; V2-I264 HydrophobicContact CG2-CB 4.3Å; V2-I264 HydrophobicContact CG2-CD1 4.11Å; V2-I264 HydrophobicContact CG2-CG2 3.82Å; H78-I264 HydrophobicContact CB-CD1 4.34Å; L80-I264 HydrophobicContact CD1-CD1 4.15Å; L80-I264 HydrophobicContact CD2-CD1 4.25Å; L80-I264 HydrophobicContact CG-CD1 4.39Å; T138-I264 HydrophobicContact CG2-CD1 4.38Å; V141-I264 HydrophobicContact CG1-CG1 3.96Å; A260-I264 WeakPolarHBondContact O-CG1 3.25Å; A260-I264 PolarHBondContact O-N 3.44Å; V261-I264 PolarHBondContact O-N 3.3Å; I264-A266 PolarHBondContact O-N 3.36Å; I264-C267 PolarHBondContact O-N 3.25Å; I264-W269 HydrophobicContact CB-CZ2 4.41Å; I264-W269 HydrophobicContact CG1-CZ2 4.06Å; I264-W269 HydrophobicContact CG2-CZ2 4.27Å; I264-W269 PolarHBondContact O-NE1 2.86Å
265	G	98.1	Very high	97.7	Very high	48 Å²	48	51.4 Å²	51.4	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-67.8	-12.4	-178.8	0	0	0	0	0	115.2	V261 R262 L263	V261-G265 PolarHBondContact O-N 3.14Å; R262-G265 PolarHBondContact O-N 2.69Å; L263-G265 PolarHBondContact O-N 2.87Å
266	A	97.9	Very high	97.9	Very high	75 Å²	75	48.2 Å²	48.2	62%	0.62	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.1	177	0	0	0	0	0	113.5	R262 L263 I264	R262-A266 PolarHBondContact O-N 2.88Å; L263-A266 PolarHBondContact O-N 3.23Å; I264-A266 PolarHBondContact O-N 3.36Å
267	C	96.7	Very high	98	Very high	73 Å²	73	54.2 Å²	54.2	49%	0.493	30%	0.3	S	S	.	.	S	Bend	trans	-112.4	153.1	-178.6	-67.1	0	0	0	0	111.6	I264 W269	I264-C267 PolarHBondContact O-N 3.25Å; C267-W269 VanDerWaalsContact O-CD1 3.24Å
268	D	98	Very high	98.1	Very high	132 Å²	132	56.6 Å²	56.6	71%	0.706	32%	0.32	S	S	*	.			trans	-86.5	123.7	167.9	177.3	17.2	0	0	0	109.7	T270	D268-T270 VanDerWaalsContact OD1-CB 3.3Å; D268-T270 WeakPolarHBondContact OD1-CB 3.4Å; D268-T270 PolarHBondContact OD1-N 3.49Å; D268-T270 PolarHBondContact OD1-OG1 2.86Å
269	W	98.6	Very high	98.3	Very high	21 Å²	21	57.4 Å²	57.4	8%	0.08	32%	0.324	C	S	.	.			trans	-109.8	10	-177.2	-67.1	88.8	0	0	0	113	H78 E137 V141 I264 C267 K271 T272 I273	H78-W269 AromaticContact CE1-CD2 3.46Å; H78-W269 VanDerWaalsContact CE1-CD2 3.46Å; H78-W269 AromaticContact CE1-CE2 3.84Å; H78-W269 AromaticContact CE1-CE3 3.8Å; H78-W269 AromaticContact CE1-CG 3.59Å; H78-W269 AromaticContact NE2-CD2 3.19Å; H78-W269 AromaticContact NE2-CE2 3.44Å; H78-W269 AromaticContact NE2-CE3 3.18Å; H78-W269 AromaticContact NE2-CG 3.85Å; H78-W269 AromaticContact NE2-CH2 3.65Å; H78-W269 AromaticContact NE2-CZ2 3.68Å; H78-W269 AromaticContact NE2-CZ3 3.4Å; H78-W269 WeakPolarHBondContact NE2-CZ3 3.36Å; E137-W269 HydrophobicContact CB-CH2 3.86Å; E137-W269 HydrophobicContact CB-CZ3 3.6Å; V141-W269 HydrophobicContact CG2-CH2 4.29Å; V141-W269 HydrophobicContact CG2-CZ2 4.15Å; I264-W269 HydrophobicContact CB-CZ2 4.41Å; I264-W269 HydrophobicContact CG1-CZ2 4.06Å; I264-W269 HydrophobicContact CG2-CZ2 4.27Å; I264-W269 PolarHBondContact O-NE1 2.86Å; C267-W269 VanDerWaalsContact O-CD1 3.24Å; W269-K271 PolarHBondContact O-N 3.02Å; W269-T272 HydrophobicContact CE3-CG2 3.99Å; W269-T272 HydrophobicContact CZ3-CG2 4.24Å; W269-T272 PolarHBondContact O-N 3.04Å; W269-I273 HydrophobicContact CB-CD1 3.74Å; W269-I273 HydrophobicContact CB-CG1 4.13Å; W269-I273 WeakPolarHBondContact O-CB 3.04Å; W269-I273 VanDerWaalsContact O-CG1 3.3Å; W269-I273 WeakPolarHBondContact O-CG1 3.49Å; W269-I273 PolarHBondContact O-N 3.28Å
270	T	98.5	Very high	98.3	Very high	72 Å²	72	57.4 Å²	57.4	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-52.8	-52.4	-172.1	-60.4	0	0	0	0	111.9	D268 T272 I273 E274	D268-T270 VanDerWaalsContact OD1-CB 3.3Å; D268-T270 WeakPolarHBondContact OD1-CB 3.4Å; D268-T270 PolarHBondContact OD1-N 3.49Å; D268-T270 PolarHBondContact OD1-OG1 2.86Å; T270-T272 PolarHBondContact O-N 2.9Å; T270-I273 PolarHBondContact O-N 3.27Å; T270-E274 WeakPolarHBondContact O-CG 3.23Å; T270-E274 PolarHBondContact O-N 3.43Å
271	K	98.4	Very high	98.2	Very high	173 Å²	173	62.9 Å²	62.9	75%	0.752	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-41.8	179.9	-68.1	-175.1	179.2	179.4	0	113	W269 E274 A275	W269-K271 PolarHBondContact O-N 3.02Å; K271-E274 PolarHBondContact O-N 2.89Å; K271-A275 WeakPolarHBondContact O-CB 3.27Å; K271-A275 PolarHBondContact O-N 2.89Å
272	T	98.6	Very high	98.2	Very high	15 Å²	15	66.1 Å²	66.1	9%	0.092	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-42.7	179.3	-47.3	0	0	0	0	111.1	E137 W269 T270 A275 N276	E137-T272 WeakPolarHBondContact OE1-CB 3.46Å; E137-T272 WeakPolarHBondContact OE1-CG2 3.36Å; E137-T272 PolarHBondContact OE1-OG1 2.79Å; W269-T272 HydrophobicContact CE3-CG2 3.99Å; W269-T272 HydrophobicContact CZ3-CG2 4.24Å; W269-T272 PolarHBondContact O-N 3.04Å; T270-T272 PolarHBondContact O-N 2.9Å; T272-A275 PolarHBondContact O-N 3.41Å; T272-N276 WeakPolarHBondContact O-CB 3.49Å; T272-N276 PolarHBondContact O-N 2.85Å; T272-N276 PolarHBondContact O-OD1 3.37Å
273	I	98.7	Very high	98.2	Very high	35 Å²	35	62.3 Å²	62.3	18%	0.179	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-41	177.4	-68.4	164.3	0	0	0	110.9	T77 W269 T270 K277	T77-I273 HydrophobicContact CG2-CD1 3.68Å; T77-I273 HydrophobicContact CG2-CG1 4.34Å; W269-I273 HydrophobicContact CB-CD1 3.74Å; W269-I273 HydrophobicContact CB-CG1 4.13Å; W269-I273 WeakPolarHBondContact O-CB 3.04Å; W269-I273 VanDerWaalsContact O-CG1 3.3Å; W269-I273 WeakPolarHBondContact O-CG1 3.49Å; W269-I273 PolarHBondContact O-N 3.28Å; T270-I273 PolarHBondContact O-N 3.27Å; I273-K277 HydrophobicContact CG2-CD 4.38Å; I273-K277 WeakPolarHBondContact O-CG 3.25Å; I273-K277 PolarHBondContact O-N 3.17Å; I273-K277 VanDerWaalsContact O-N 3.16Å
274	E	98.6	Very high	98.1	Very high	119 Å²	119	63.2 Å²	63.2	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-45.9	173.5	-74.5	172.9	176.6	0	0	111.5	T270 K271 N276 K277 A278	T270-E274 WeakPolarHBondContact O-CG 3.23Å; T270-E274 PolarHBondContact O-N 3.43Å; K271-E274 PolarHBondContact O-N 2.89Å; E274-N276 PolarHBondContact O-N 2.69Å; E274-K277 PolarHBondContact O-N 3.27Å; E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 2.81Å
275	A	98.7	Very high	98	Very high	56 Å²	56	66.5 Å²	66.5	46%	0.463	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-42.4	177.3	0	0	0	0	0	112.4	K271 T272 K277 A278 L279	K271-A275 WeakPolarHBondContact O-CB 3.27Å; K271-A275 PolarHBondContact O-N 2.89Å; T272-A275 PolarHBondContact O-N 3.41Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 2.71Å; A275-A278 PolarHBondContact O-N 3.4Å; A275-L279 WeakPolarHBondContact O-CB 3.15Å; A275-L279 PolarHBondContact O-N 3.42Å
276	N	98.7	Very high	97.7	Very high	31 Å²	31	66.1 Å²	66.1	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-58.6	-44.9	175.5	-70.9	-13.4	0	0	0	111.5	G215 S217 T272 E274 V280	G215-N276 WeakPolarHBondContact O-CB 3.47Å; S217-N276 PolarHBondContact OG-ND2 2.83Å; T272-N276 WeakPolarHBondContact O-CB 3.49Å; T272-N276 PolarHBondContact O-N 2.85Å; T272-N276 PolarHBondContact O-OD1 3.37Å; E274-N276 PolarHBondContact O-N 2.69Å; N276-V280 PolarHBondContact O-N 3.22Å
277	K	98.4	Very high	97.4	Very high	126 Å²	126	65.9 Å²	65.9	55%	0.548	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-43	177.5	-69.2	171	-177.5	176	0	111.8	I273 E274 A275 L279 V280 L281	I273-K277 HydrophobicContact CG2-CD 4.38Å; I273-K277 WeakPolarHBondContact O-CG 3.25Å; I273-K277 PolarHBondContact O-N 3.17Å; I273-K277 VanDerWaalsContact O-N 3.16Å; E274-K277 PolarHBondContact O-N 3.27Å; A275-K277 VanDerWaalsContact C-N 3.33Å; A275-K277 PolarHBondContact O-N 2.71Å; K277-L279 VanDerWaalsContact C-N 3.3Å; K277-L279 PolarHBondContact O-N 3.17Å; K277-V280 PolarHBondContact O-N 3.47Å; K277-L281 PolarHBondContact O-N 3.1Å
278	A	98.3	Very high	96.9	Very high	52 Å²	52	67.2 Å²	67.2	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-39.7	178.5	0	0	0	0	0	111.6	E274 A275 V280 L281 S282	E274-A278 WeakPolarHBondContact O-CB 3.36Å; E274-A278 PolarHBondContact O-N 2.81Å; A275-A278 PolarHBondContact O-N 3.4Å; A278-V280 VanDerWaalsContact C-N 3.34Å; A278-V280 PolarHBondContact O-N 3Å; A278-L281 PolarHBondContact O-N 2.77Å; A278-S282 PolarHBondContact O-N 2.82Å; A278-S282 PolarHBondContact O-OG 2.98Å
279	L	98.5	Very high	96	Very high	54 Å²	54	65 Å²	65	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.5	-177.1	64.1	0	0	0	112.2	M128 P129 R212 A275 K277 S282 S283	M128-L279 HydrophobicContact CE-CD2 3.82Å; M128-L279 HydrophobicContact CE-CG 3.68Å; P129-L279 HydrophobicContact CG-CD1 4.12Å; R212-L279 HydrophobicContact CG-CD2 4.48Å; A275-L279 WeakPolarHBondContact O-CB 3.15Å; A275-L279 PolarHBondContact O-N 3.42Å; K277-L279 VanDerWaalsContact C-N 3.3Å; K277-L279 PolarHBondContact O-N 3.17Å; L279-S282 PolarHBondContact O-OG 3.28Å; L279-S283 VanDerWaalsContact O-CB 3.3Å; L279-S283 WeakPolarHBondContact O-CB 3.33Å; L279-S283 PolarHBondContact O-N 3.3Å; L279-S283 VanDerWaalsContact O-N 3.14Å; L279-S283 PolarHBondContact O-OG 3.4Å
280	V	98.4	Very high	94.9	Very high	14 Å²	14	71 Å²	71	9%	0.085	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-45.2	175	176.1	0	0	0	0	110.4	L126 M128 R212 E213 N276 K277 A278 S283	L126-V280 HydrophobicContact CD1-CG1 4.25Å; L126-V280 VanDerWaalsContact CD1-O 3.26Å; L126-V280 WeakPolarHBondContact CD1-O 3.37Å; M128-V280 HydrophobicContact SD-CG2 4.46Å; R212-V280 WeakPolarHBondContact O-CG2 3.4Å; E213-V280 WeakPolarHBondContact O-CG2 3.35Å; N276-V280 PolarHBondContact O-N 3.22Å; K277-V280 PolarHBondContact O-N 3.47Å; A278-V280 VanDerWaalsContact C-N 3.34Å; A278-V280 PolarHBondContact O-N 3Å; V280-S283 PolarHBondContact O-N 3.33Å
281	L	97.2	Very high	93.7	Very high	115 Å²	115	71 Å²	71	60%	0.602	39%	0.386	S	S	*	.	H	α-helix	trans	-65.6	-43.5	179.9	-69.2	175	0	0	0	112.5	K277 A278 S283 R284	K277-L281 PolarHBondContact O-N 3.1Å; A278-L281 PolarHBondContact O-N 2.77Å; L281-S283 PolarHBondContact O-N 3.36Å; L281-R284 WeakPolarHBondContact O-CB 3.37Å; L281-R284 PolarHBondContact O-N 3.21Å
282	S	97.2	Very high	92.3	Very high	69 Å²	69	65.4 Å²	65.4	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-71	-14	178.8	65.1	0	0	0	0	113.6	A278 L279 L288	A278-S282 PolarHBondContact O-N 2.82Å; A278-S282 PolarHBondContact O-OG 2.98Å; L279-S282 PolarHBondContact O-OG 3.28Å; S282-L288 WeakPolarHBondContact O-CD1 3.46Å
283	S	97.7	Very high	90.5	Very high	10 Å²	10	72 Å²	72	7%	0.07	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.2	176.7	-58.2	0	0	0	0	113.3	H127 P129 L279 V280 L281 Q285	H127-S283 PolarHBondContact N-O 2.75Å; H127-S283 WeakPolarHBondContact O-CB 3.28Å; P129-S283 VanDerWaalsContact CD-OG 3.29Å; P129-S283 WeakPolarHBondContact CD-OG 3.48Å; L279-S283 VanDerWaalsContact O-CB 3.3Å; L279-S283 WeakPolarHBondContact O-CB 3.33Å; L279-S283 PolarHBondContact O-N 3.3Å; L279-S283 VanDerWaalsContact O-N 3.14Å; L279-S283 PolarHBondContact O-OG 3.4Å; V280-S283 PolarHBondContact O-N 3.33Å; L281-S283 PolarHBondContact O-N 3.36Å; S283-Q285 PolarHBondContact O-N 3.36Å
284	R	97	Very high	88.7	Confident	32 Å²	32	75.1 Å²	75.1	12%	0.121	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-82	91.7	178.9	-71.7	-68.8	-60.9	-83.2	-1.4	111.1	K123 L126 L281 D286 L287 L288	K123-R284 PolarHBondContact O-NH2 2.87Å; K123-R284 VanDerWaalsContact O-NH2 3.08Å; L126-R284 HydrophobicContact CD1-CG 3.84Å; L281-R284 WeakPolarHBondContact O-CB 3.37Å; L281-R284 PolarHBondContact O-N 3.21Å; R284-D286 IonicContact CZ-OD1 3.54Å; R284-D286 IonicContact CZ-OD2 3.57Å; R284-D286 IonicContact NE-OD1 2.83Å; R284-D286 PolarHBondContact NE-OD1 2.84Å; R284-D286 IonicContact NE-OD2 3.65Å; R284-D286 IonicContact NH2-OD1 3.4Å; R284-D286 PolarHBondContact NH2-OD1 3.46Å; R284-D286 IonicContact NH2-OD2 2.69Å; R284-D286 PolarHBondContact NH2-OD2 3.45Å; R284-D286 PolarHBondContact O-N 3.49Å; R284-L287 HydrophobicContact CB-CB 3.99Å; R284-L287 HydrophobicContact CB-CD1 3.74Å; R284-L287 HydrophobicContact CB-CG 3.81Å; R284-L287 HydrophobicContact CG-CD1 4.01Å; R284-L287 HydrophobicContact CG-CG 4.48Å; R284-L287 PolarHBondContact O-N 3.02Å; R284-L287 VanDerWaalsContact O-N 3.1Å; R284-L288 WeakPolarHBondContact O-CG 3.28Å; R284-L288 PolarHBondContact O-N 2.87Å; R284-L288 VanDerWaalsContact O-N 3.07Å
285	Q	95.1	Very high	86.2	Confident	75 Å²	75	82.8 Å²	82.8	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-57.8	-39.6	-179.7	-174.6	-178.8	15.3	0	0	111.9	V125 H127 S283 L287 L288 H289	V125-Q285 HydrophobicContact CB-CB 4.35Å; V125-Q285 HydrophobicContact CG1-CB 4.29Å; V125-Q285 PolarHBondContact O-N 3.34Å; H127-Q285 PolarHBondContact CD2-OE1 3.44Å; H127-Q285 PolarHBondContact NE2-OE1 2.97Å; S283-Q285 PolarHBondContact O-N 3.36Å; Q285-L287 VanDerWaalsContact C-N 3.25Å; Q285-L287 PolarHBondContact O-N 2.85Å; Q285-L288 PolarHBondContact O-N 3.1Å; Q285-H289 PolarHBondContact NE2-NE2 3.4Å; Q285-H289 PolarHBondContact O-CD2 2.81Å; Q285-H289 PolarHBondContact O-N 2.81Å; Q285-H289 VanDerWaalsContact O-N 3.09Å
286	D	92.9	Very high	85.6	Confident	39 Å²	39	84.1 Å²	84.1	21%	0.209	45%	0.451	C	S	.	.	H	α-helix	trans	-64.2	-29.2	179.9	62	-69.1	0	0	0	113.4	G124 V125 R284 Q290	G124-D286 WeakPolarHBondContact CA-OD1 3.33Å; G124-D286 WeakPolarHBondContact CA-OD2 3.41Å; V125-D286 PolarHBondContact N-OD1 3.48Å; R284-D286 IonicContact CZ-OD1 3.54Å; R284-D286 IonicContact CZ-OD2 3.57Å; R284-D286 IonicContact NE-OD1 2.83Å; R284-D286 PolarHBondContact NE-OD1 2.84Å; R284-D286 IonicContact NE-OD2 3.65Å; R284-D286 IonicContact NH2-OD1 3.4Å; R284-D286 PolarHBondContact NH2-OD1 3.46Å; R284-D286 IonicContact NH2-OD2 2.69Å; R284-D286 PolarHBondContact NH2-OD2 3.45Å; R284-D286 PolarHBondContact O-N 3.49Å; D286-Q290 WeakPolarHBondContact O-CG 3.23Å
287	L	92.1	Very high	84.9	Confident	71 Å²	71	86.9 Å²	86.9	37%	0.372	47%	0.466	S	S	.	.	H	α-helix	trans	-84.2	-33.4	176.4	-58.4	-177.3	0	0	0	112	R284 Q285 Q290 G291	R284-L287 HydrophobicContact CB-CB 3.99Å; R284-L287 HydrophobicContact CB-CD1 3.74Å; R284-L287 HydrophobicContact CB-CG 3.81Å; R284-L287 HydrophobicContact CG-CD1 4.01Å; R284-L287 HydrophobicContact CG-CG 4.48Å; R284-L287 PolarHBondContact O-N 3.02Å; R284-L287 VanDerWaalsContact O-N 3.1Å; Q285-L287 VanDerWaalsContact C-N 3.25Å; Q285-L287 PolarHBondContact O-N 2.85Å; L287-Q290 PolarHBondContact O-N 2.57Å; L287-G291 PolarHBondContact O-N 3.22Å
288	L	85.7	Confident	84.1	Confident	101 Å²	101	84.7 Å²	84.7	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-64.5	-43.2	176.4	-69.9	173.2	0	0	0	111.8	S282 R284 Q285 Q290 G291 S292	S282-L288 WeakPolarHBondContact O-CD1 3.46Å; R284-L288 WeakPolarHBondContact O-CG 3.28Å; R284-L288 PolarHBondContact O-N 2.87Å; R284-L288 VanDerWaalsContact O-N 3.07Å; Q285-L288 PolarHBondContact O-N 3.1Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 2.79Å; L288-G291 PolarHBondContact O-N 3.04Å; L288-G291 VanDerWaalsContact O-N 3.07Å; L288-S292 PolarHBondContact O-N 3.46Å; L288-S292 PolarHBondContact O-OG 3.4Å
289	H	79.1	Confident	83.3	Confident	84 Å²	84	86.6 Å²	86.6	39%	0.389	46%	0.464	S	S	.	.	H	α-helix	trans	-62	-37.2	176.3	-74.5	-43.8	0	0	0	112.9	Q285 G291 S292 D294	Q285-H289 PolarHBondContact NE2-NE2 3.4Å; Q285-H289 PolarHBondContact O-CD2 2.81Å; Q285-H289 PolarHBondContact O-N 2.81Å; Q285-H289 VanDerWaalsContact O-N 3.09Å; H289-G291 VanDerWaalsContact C-N 3.27Å; H289-G291 PolarHBondContact O-N 3.47Å; H289-S292 PolarHBondContact O-N 3.13Å; H289-S292 PolarHBondContact O-OG 3.21Å; H289-D294 PolarHBondContact O-N 2.62Å
290	Q	75.3	Confident	82.4	Confident	148 Å²	148	88.7 Å²	88.7	69%	0.692	48%	0.475	S	S	*	.	H	α-helix	trans	-66	-30.8	174.6	-71.1	178.3	4.5	0	0	112.5	D286 L287 L288	D286-Q290 WeakPolarHBondContact O-CG 3.23Å; L287-Q290 PolarHBondContact O-N 2.57Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 2.79Å
291	G	72.4	Confident	81.3	Confident	71 Å²	71	93.7 Å²	93.7	73%	0.732	50%	0.501	S	S	*	.	H	α-helix	trans	-76.6	-23.9	178.5	0	0	0	0	0	114.4	L287 L288 H289	L287-G291 PolarHBondContact O-N 3.22Å; L288-G291 PolarHBondContact O-N 3.04Å; L288-G291 VanDerWaalsContact O-N 3.07Å; H289-G291 VanDerWaalsContact C-N 3.27Å; H289-G291 PolarHBondContact O-N 3.47Å
292	S	70	Confident	80.2	Confident	57 Å²	57	92.1 Å²	92.1	40%	0.399	49%	0.494	S	S	.	.	H	α-helix	trans	-100.8	-2.1	-175.1	57	0	0	0	0	115.4	L288 H289 D294	L288-S292 PolarHBondContact O-N 3.46Å; L288-S292 PolarHBondContact O-OG 3.4Å; H289-S292 PolarHBondContact O-N 3.13Å; H289-S292 PolarHBondContact O-OG 3.21Å; S292-D294 VanDerWaalsContact CB-OD2 3.27Å; S292-D294 WeakPolarHBondContact CB-OD2 3.41Å; S292-D294 PolarHBondContact O-N 3.25Å; S292-D294 WeakPolarHBondContact OG-CB 3.31Å; S292-D294 VanDerWaalsContact OG-CG 3.23Å; S292-D294 PolarHBondContact OG-OD2 3.42Å
293	N	60.3	Low	78.9	Confident	153 Å²	153	93.9 Å²	93.9	82%	0.818	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	20.6	-167.2	-66.8	-44	0	0	0	113.9	K295	N293-K295 PolarHBondContact O-N 3.06Å
294	D	60.7	Low	77.3	Confident	101 Å²	101	100.9 Å²	100.9	54%	0.54	53%	0.53	S	S	.	.			trans	-75.5	124.5	174.3	-70.2	-39.7	0	0	0	109.3	H289 S292	H289-D294 PolarHBondContact O-N 2.62Å; S292-D294 VanDerWaalsContact CB-OD2 3.27Å; S292-D294 WeakPolarHBondContact CB-OD2 3.41Å; S292-D294 PolarHBondContact O-N 3.25Å; S292-D294 WeakPolarHBondContact OG-CB 3.31Å; S292-D294 VanDerWaalsContact OG-CG 3.23Å; S292-D294 PolarHBondContact OG-OD2 3.42Å
295	K	47.1	Very low	75.5	Confident	279 Å²	279	107.2 Å²	107.2	100%	1.213	57%	0.567	S	S	*	*			trans	-91.3	0	178.3	-75.3	-173.7	178.5	179.8	0	111.9	N293	N293-K295 PolarHBondContact O-N 3.06Å

Retrieved 295 of 295 residues in 140.3 ms (Link to these results)

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