A0A087YL33_POEFO Loading...

Proteasome subunit alpha type

AlphaFold DB , UniProt , Accession A0A087YL33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 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	48.1	Very low	57.9	Low	191 Å²	191	97.6 Å²	97.6	94%	0.941	62%	0.622	S	S	*	*				0	115.4	0	-82.2	-168.5	-84.1	0	0	108.4	S3	M1-S3 PolarHBondContact O-N 3.24Å
2	S	47.7	Very low	60.6	Low	80 Å²	80	91.4 Å²	91.4	56%	0.559	58%	0.581	S	S	*	*			trans	-76.6	107.9	165.9	44.5	0	0	0	0	107.9	I4	S2-I4 PolarHBondContact O-N 3.35Å
3	S	54.5	Low	63.1	Low	104 Å²	104	93.4 Å²	93.4	73%	0.727	58%	0.583	S	S	*	*			trans	-80	104.3	-176.2	60.7	0	0	0	0	110.9	M1 G5	M1-S3 PolarHBondContact O-N 3.24Å; S3-G5 VanDerWaalsContact C-N 3.26Å; S3-G5 PolarHBondContact O-N 2.99Å
4	I	59	Low	65.3	Low	65 Å²	65	87.9 Å²	87.9	33%	0.333	55%	0.55	S	S	.	.			trans	-98.1	48	169.4	-53.3	175.9	0	0	0	108.7	S2 D21 F25	S2-I4 PolarHBondContact O-N 3.35Å; I4-D21 WeakPolarHBondContact CD1-OD2 3.36Å; I4-F25 HydrophobicContact CB-CZ 4.24Å
5	G	52.4	Low	67.3	Low	40 Å²	40	82.5 Å²	82.5	41%	0.412	52%	0.517	S	S	.	.			trans	-93	-1.1	177.6	0	0	0	0	0	113.9	S3	S3-G5 VanDerWaalsContact C-N 3.26Å; S3-G5 PolarHBondContact O-N 2.99Å
6	T	52.7	Low	69.1	Low	134 Å²	134	81.1 Å²	81.1	82%	0.822	51%	0.511	S	S	*	.			trans	-132	94.2	-168.2	48.8	0	0	0	0	111.7
7	G	45.3	Very low	70.6	Confident	63 Å²	63	79.2 Å²	79.2	65%	0.649	50%	0.498	S	S	*	.	S	Bend	trans	162.5	86.5	164.7	0	0	0	0	0	114.3	L9	G7-L9 PolarHBondContact O-N 3.13Å
8	G	51.5	Low	72	Confident	94 Å²	94	82.7 Å²	82.7	97%	0.969	51%	0.505	S	S	*	.	S	Bend	trans	64.4	-30.7	159.1	0	0	0	0	0	119.6
9	L	57.3	Low	73.1	Confident	115 Å²	115	78.7 Å²	78.7	60%	0.602	48%	0.481	S	S	*	.	S	Bend	trans	-127.9	112.5	177	-76.3	158.9	0	0	0	107.1	G7 Y11	G7-L9 PolarHBondContact O-N 3.13Å; L9-Y11 HydrophobicContact CB-CD2 4.4Å; L9-Y11 HydrophobicContact CB-CE1 4.28Å; L9-Y11 HydrophobicContact CB-CE2 3.7Å; L9-Y11 WeakPolarHBondContact CD1-OH 3.32Å; L9-Y11 WeakPolarHBondContact O-CD2 3.17Å; L9-Y11 WeakPolarHBondContact O-CE2 3.16Å; L9-Y11 PolarHBondContact O-N 3.11Å
10	Q	78.3	Confident	74.1	Confident	125 Å²	125	79.2 Å²	79.2	58%	0.584	49%	0.486	S	S	*	.			trans	-89.5	89.7	-172.6	-146	159.4	5.3	0	0	108.5	D12 L13	Q10-D12 WeakPolarHBondContact CG-OD1 3.46Å; Q10-D12 PolarHBondContact O-N 3.32Å; Q10-L13 HydrophobicContact CB-CD1 3.74Å; Q10-L13 HydrophobicContact CB-CG 3.87Å; Q10-L13 HydrophobicContact CG-CD1 3.91Å; Q10-L13 HydrophobicContact CG-CD2 4.03Å; Q10-L13 HydrophobicContact CG-CG 3.73Å
11	Y	89.6	Confident	75	Confident	63 Å²	63	80.2 Å²	80.2	25%	0.247	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-1.3	-173.9	-62.4	-78.4	0	0	0	114.3	L9 T17 F18 P20	L9-Y11 HydrophobicContact CB-CD2 4.4Å; L9-Y11 HydrophobicContact CB-CE1 4.28Å; L9-Y11 HydrophobicContact CB-CE2 3.7Å; L9-Y11 WeakPolarHBondContact CD1-OH 3.32Å; L9-Y11 WeakPolarHBondContact O-CD2 3.17Å; L9-Y11 WeakPolarHBondContact O-CE2 3.16Å; L9-Y11 PolarHBondContact O-N 3.11Å; Y11-T17 HydrophobicContact CD1-CG2 4.02Å; Y11-F18 WeakPolarHBondContact CD1-O 3.26Å; Y11-P20 HydrophobicContact CD2-CG 4.36Å; Y11-P20 HydrophobicContact CE1-CG 4.31Å; Y11-P20 HydrophobicContact CE2-CG 3.87Å
12	D	90.8	Very high	77.2	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.123	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-0.2	-173.6	65.4	-26.2	0	0	0	113.6	Q10 F25 Q26 Y29	Q10-D12 WeakPolarHBondContact CG-OD1 3.46Å; Q10-D12 PolarHBondContact O-N 3.32Å; D12-F25 HydrophobicContact CB-CB 3.7Å; D12-F25 HydrophobicContact CB-CD2 4Å; D12-F25 HydrophobicContact CB-CG 4.11Å; D12-Q26 PolarHBondContact O-NE2 2.69Å; D12-Y29 HydrophobicContact CB-CE2 3.87Å; D12-Y29 WeakPolarHBondContact CB-OH 3.39Å; D12-Y29 PolarHBondContact OD2-OH 3.32Å; D12-Y29 VanDerWaalsContact OD2-OH 3.13Å
13	L	93.1	Very high	79.5	Confident	117 Å²	117	73 Å²	73	61%	0.613	46%	0.456	S	S	*	.	S	Bend	trans	-82.9	-13	-177.1	-59.7	-176.5	0	0	0	114.8	Q10	Q10-L13 HydrophobicContact CB-CD1 3.74Å; Q10-L13 HydrophobicContact CB-CG 3.87Å; Q10-L13 HydrophobicContact CG-CD1 3.91Å; Q10-L13 HydrophobicContact CG-CD2 4.03Å; Q10-L13 HydrophobicContact CG-CG 3.73Å
14	S	94.3	Very high	81.5	Confident	16 Å²	16	69.5 Å²	69.5	11%	0.112	43%	0.43	C	S	.	.			trans	-142.4	144.1	-175.4	-178	0	0	0	0	111.8	S16 T17 S130	S14-S16 PolarHBondContact O-N 3.47Å; S14-S16 PolarHBondContact OG-N 3.04Å; S14-S16 VanDerWaalsContact OG-N 3.07Å; S14-S16 PolarHBondContact OG-OG 2.68Å; S14-T17 PolarHBondContact O-N 3.11Å; S14-S130 WeakPolarHBondContact OG-CA 3.38Å; S14-S130 VanDerWaalsContact OG-CB 3.23Å; S14-S130 WeakPolarHBondContact OG-CB 3.4Å
15	A	94.8	Very high	83.3	Confident	7 Å²	7	66.9 Å²	66.9	6%	0.058	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20	170.4	0	0	0	0	0	112.4	T17 V24 Q26 P134	A15-T17 VanDerWaalsContact C-N 3.27Å; A15-T17 PolarHBondContact O-N 3.32Å; A15-V24 WeakPolarHBondContact O-CG1 2.78Å; A15-Q26 HydrophobicContact CB-CB 4.19Å; A15-P134 HydrophobicContact CB-CG 4.34Å
16	S	95.7	Very high	85.4	Confident	61 Å²	61	67.4 Å²	67.4	43%	0.427	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.5	177.5	73.2	0	0	0	0	114.2	S14 L128	S14-S16 PolarHBondContact O-N 3.47Å; S14-S16 PolarHBondContact OG-N 3.04Å; S14-S16 VanDerWaalsContact OG-N 3.07Å; S14-S16 PolarHBondContact OG-OG 2.68Å; S16-L128 WeakPolarHBondContact CB-O 3.41Å
17	T	95.4	Very high	87.6	Confident	48 Å²	48	61.7 Å²	61.7	29%	0.294	37%	0.372	S	S	.	.			trans	-117.8	120.8	-175.2	-59.6	0	0	0	0	109.7	Y11 S14 A15	Y11-T17 HydrophobicContact CD1-CG2 4.02Å; S14-T17 PolarHBondContact O-N 3.11Å; A15-T17 VanDerWaalsContact C-N 3.27Å; A15-T17 PolarHBondContact O-N 3.32Å
18	F	95.9	Very high	90.1	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.623	35%	0.354	S	S	*	.			trans	-81.6	141.6	169.6	-75.6	-81.5	0	0	0	110.7	Y11 V24	Y11-F18 WeakPolarHBondContact CD1-O 3.26Å; F18-V24 HydrophobicContact CD1-CG2 3.85Å; F18-V24 HydrophobicContact CE1-CG2 3.65Å; F18-V24 HydrophobicContact CZ-CG2 4.26Å
19	S	93.4	Very high	92.3	Very high	7 Å²	7	61.5 Å²	61.5	5%	0.049	33%	0.326	C	S	.	.			trans	-72.7	163	165.7	78.5	0	0	0	0	111.3	D21 G22 R23 F25	S19-D21 PolarHBondContact O-N 2.98Å; S19-D21 VanDerWaalsContact O-N 3.08Å; S19-D21 PolarHBondContact OG-N 3.13Å; S19-G22 PolarHBondContact O-N 3.3Å; S19-R23 PolarHBondContact N-O 3.05Å; S19-R23 WeakPolarHBondContact OG-CB 3.47Å; S19-R23 PolarHBondContact OG-N 3.45Å; S19-R23 VanDerWaalsContact OG-N 3.09Å; S19-R23 PolarHBondContact OG-O 2.88Å; S19-F25 VanDerWaalsContact CB-CE2 3.44Å
20	P	93.1	Very high	94.2	Very high	89 Å²	89	56.5 Å²	56.5	58%	0.578	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.1	172.8	-27.6	36.5	0	0	0	114.4	Y11 G22	Y11-P20 HydrophobicContact CD2-CG 4.36Å; Y11-P20 HydrophobicContact CE1-CG 4.31Å; Y11-P20 HydrophobicContact CE2-CG 3.87Å; P20-G22 VanDerWaalsContact C-N 3.34Å
21	D	92.9	Very high	95.2	Very high	101 Å²	101	53.3 Å²	53.3	54%	0.54	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.7	177.9	-59.1	-26.4	0	0	0	113.2	I4 S19 R23	I4-D21 WeakPolarHBondContact CD1-OD2 3.36Å; S19-D21 PolarHBondContact O-N 2.98Å; S19-D21 VanDerWaalsContact O-N 3.08Å; S19-D21 PolarHBondContact OG-N 3.13Å; D21-R23 HydrophobicContact CB-CG 4.39Å
22	G	94.4	Very high	95.5	Very high	54 Å²	54	54.2 Å²	54.2	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	77.9	25.1	178.9	0	0	0	0	0	114.8	S19 P20	S19-G22 PolarHBondContact O-N 3.3Å; P20-G22 VanDerWaalsContact C-N 3.34Å
23	R	95.3	Very high	95.8	Very high	66 Å²	66	55.1 Å²	55.1	25%	0.249	30%	0.303	C	S	.	.			trans	-107.6	154.7	-176.9	-57.1	166.1	65	-168.2	7.1	111.5	S19 D21 E28	S19-R23 PolarHBondContact N-O 3.05Å; S19-R23 WeakPolarHBondContact OG-CB 3.47Å; S19-R23 PolarHBondContact OG-N 3.45Å; S19-R23 VanDerWaalsContact OG-N 3.09Å; S19-R23 PolarHBondContact OG-O 2.88Å; D21-R23 HydrophobicContact CB-CG 4.39Å; R23-E28 IonicContact CZ-OE1 3.1Å; R23-E28 IonicContact CZ-OE2 3.35Å; R23-E28 IonicContact NE-OE1 2.71Å; R23-E28 PolarHBondContact NE-OE1 2.59Å; R23-E28 IonicContact NE-OE2 3.7Å; R23-E28 IonicContact NH2-OE1 2.75Å; R23-E28 PolarHBondContact NH2-OE1 3.08Å; R23-E28 IonicContact NH2-OE2 2.59Å; R23-E28 PolarHBondContact NH2-OE2 3.16Å
24	V	96.5	Very high	96.1	Very high	30 Å²	30	50 Å²	50	18%	0.182	28%	0.276	C	S	.	.			trans	-113.9	95.5	172.4	-175.6	0	0	0	0	108.9	A15 F18 Q26 V27 E28	A15-V24 WeakPolarHBondContact O-CG1 2.78Å; F18-V24 HydrophobicContact CD1-CG2 3.85Å; F18-V24 HydrophobicContact CE1-CG2 3.65Å; F18-V24 HydrophobicContact CZ-CG2 4.26Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-Q26 PolarHBondContact O-N 3.31Å; V24-V27 HydrophobicContact CB-CG2 4.29Å; V24-V27 HydrophobicContact CG1-CG2 3.92Å; V24-V27 PolarHBondContact O-N 2.91Å; V24-V27 VanDerWaalsContact O-N 3.13Å; V24-E28 PolarHBondContact O-N 2.81Å
25	F	96.5	Very high	96.2	Very high	10 Å²	10	53.9 Å²	53.9	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-30.9	-171.4	-73.4	-63.8	0	0	0	114.1	I4 D12 S19 V27 E28 Y29	I4-F25 HydrophobicContact CB-CZ 4.24Å; D12-F25 HydrophobicContact CB-CB 3.7Å; D12-F25 HydrophobicContact CB-CD2 4Å; D12-F25 HydrophobicContact CB-CG 4.11Å; S19-F25 VanDerWaalsContact CB-CE2 3.44Å; F25-V27 PolarHBondContact O-N 2.79Å; F25-E28 WeakPolarHBondContact CD1-OE2 3.26Å; F25-E28 WeakPolarHBondContact O-CB 3.19Å; F25-E28 PolarHBondContact O-N 3.19Å; F25-E28 VanDerWaalsContact O-N 3.09Å; F25-Y29 HydrophobicContact CB-CE1 4.38Å; F25-Y29 HydrophobicContact CB-CE2 4.28Å; F25-Y29 WeakPolarHBondContact O-CD1 3.5Å; F25-Y29 VanDerWaalsContact O-CG 3.23Å; F25-Y29 PolarHBondContact O-N 2.79Å
26	Q	97.6	Very high	96.2	Very high	50 Å²	50	59.3 Å²	59.3	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-34.5	176.1	-78.5	-66.2	-52.1	0	0	112.7	D12 A15 V24 A30 P134	D12-Q26 PolarHBondContact O-NE2 2.69Å; A15-Q26 HydrophobicContact CB-CB 4.19Å; V24-Q26 VanDerWaalsContact C-N 3.3Å; V24-Q26 PolarHBondContact O-N 3.31Å; Q26-A30 PolarHBondContact O-N 2.88Å; Q26-A30 VanDerWaalsContact O-N 3.13Å; Q26-P134 HydrophobicContact CB-CG 4.19Å
27	V	98	Very high	96.3	Very high	14 Å²	14	57.4 Å²	57.4	9%	0.085	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-41.2	175.3	178.3	0	0	0	0	110.5	V24 F25 Y29 A30 M31 T127 P134	V24-V27 HydrophobicContact CB-CG2 4.29Å; V24-V27 HydrophobicContact CG1-CG2 3.92Å; V24-V27 PolarHBondContact O-N 2.91Å; V24-V27 VanDerWaalsContact O-N 3.13Å; F25-V27 PolarHBondContact O-N 2.79Å; V27-Y29 VanDerWaalsContact C-N 3.32Å; V27-Y29 PolarHBondContact O-N 3.49Å; V27-A30 WeakPolarHBondContact O-CB 3.43Å; V27-A30 PolarHBondContact O-N 3.1Å; V27-M31 HydrophobicContact CG1-CE 4.03Å; V27-M31 WeakPolarHBondContact O-CG 3.24Å; V27-M31 PolarHBondContact O-N 2.76Å; V27-T127 HydrophobicContact CG2-CG2 3.85Å; V27-P134 HydrophobicContact CG2-CG 3.98Å
28	E	97.6	Very high	96.4	Very high	56 Å²	56	55.8 Å²	55.8	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-36.1	177.1	-59	-174.8	168.8	0	0	112.5	R23 V24 F25 M31 K32	R23-E28 IonicContact CZ-OE1 3.1Å; R23-E28 IonicContact CZ-OE2 3.35Å; R23-E28 IonicContact NE-OE1 2.71Å; R23-E28 PolarHBondContact NE-OE1 2.59Å; R23-E28 IonicContact NE-OE2 3.7Å; R23-E28 IonicContact NH2-OE1 2.75Å; R23-E28 PolarHBondContact NH2-OE1 3.08Å; R23-E28 IonicContact NH2-OE2 2.59Å; R23-E28 PolarHBondContact NH2-OE2 3.16Å; V24-E28 PolarHBondContact O-N 2.81Å; F25-E28 WeakPolarHBondContact CD1-OE2 3.26Å; F25-E28 WeakPolarHBondContact O-CB 3.19Å; F25-E28 PolarHBondContact O-N 3.19Å; F25-E28 VanDerWaalsContact O-N 3.09Å; E28-M31 WeakPolarHBondContact O-CB 3.23Å; E28-M31 PolarHBondContact O-N 2.79Å; E28-K32 PolarHBondContact O-N 2.89Å
29	Y	97.6	Very high	96.5	Very high	98 Å²	98	49 Å²	49	38%	0.384	27%	0.268	S	S	.	.	H	α-helix	trans	-66.9	-39.6	174.1	-62.7	-15.1	0	0	0	111.7	D12 F25 V27 K32 A33	D12-Y29 HydrophobicContact CB-CE2 3.87Å; D12-Y29 WeakPolarHBondContact CB-OH 3.39Å; D12-Y29 PolarHBondContact OD2-OH 3.32Å; D12-Y29 VanDerWaalsContact OD2-OH 3.13Å; F25-Y29 HydrophobicContact CB-CE1 4.38Å; F25-Y29 HydrophobicContact CB-CE2 4.28Å; F25-Y29 WeakPolarHBondContact O-CD1 3.5Å; F25-Y29 VanDerWaalsContact O-CG 3.23Å; F25-Y29 PolarHBondContact O-N 2.79Å; V27-Y29 VanDerWaalsContact C-N 3.32Å; V27-Y29 PolarHBondContact O-N 3.49Å; Y29-K32 WeakPolarHBondContact O-CB 3.14Å; Y29-K32 PolarHBondContact O-N 3.38Å; Y29-A33 PolarHBondContact O-N 2.86Å
30	A	98.1	Very high	96.7	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-42.6	172.6	0	0	0	0	0	111.7	Q26 V27 K32 A33 V34 P134 P157	Q26-A30 PolarHBondContact O-N 2.88Å; Q26-A30 VanDerWaalsContact O-N 3.13Å; V27-A30 WeakPolarHBondContact O-CB 3.43Å; V27-A30 PolarHBondContact O-N 3.1Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.78Å; A30-A33 WeakPolarHBondContact O-CB 3.42Å; A30-A33 PolarHBondContact O-N 3.4Å; A30-A33 VanDerWaalsContact O-N 3.15Å; A30-V34 PolarHBondContact O-N 3.15Å; A30-P134 HydrophobicContact CB-CB 4Å; A30-P157 HydrophobicContact CB-CB 3.79Å; A30-P157 HydrophobicContact CB-CG 4.21Å
31	M	97.9	Very high	97	Very high	57 Å²	57	44.4 Å²	44.4	28%	0.281	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-39.3	171.9	-70.1	179.3	174.4	0	0	111.7	V27 E28 A33 V34 E35 D156 P157	V27-M31 HydrophobicContact CG1-CE 4.03Å; V27-M31 WeakPolarHBondContact O-CG 3.24Å; V27-M31 PolarHBondContact O-N 2.76Å; E28-M31 WeakPolarHBondContact O-CB 3.23Å; E28-M31 PolarHBondContact O-N 2.79Å; M31-A33 VanDerWaalsContact C-N 3.29Å; M31-A33 PolarHBondContact O-N 3.48Å; M31-V34 WeakPolarHBondContact O-CA 3.46Å; M31-V34 VanDerWaalsContact O-CB 3.29Å; M31-V34 WeakPolarHBondContact O-CB 3.06Å; M31-V34 PolarHBondContact O-N 3.38Å; M31-E35 PolarHBondContact O-N 2.89Å; M31-D156 HydrophobicContact CE-CB 4.47Å; M31-D156 WeakPolarHBondContact CE-OD2 3.27Å; M31-P157 HydrophobicContact CG-CB 4.23Å; M31-P157 HydrophobicContact CG-CG 4.08Å
32	K	97.6	Very high	97.3	Very high	83 Å²	83	39.6 Å²	39.6	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-33	176.5	-166.3	51.5	170.1	169.1	0	112.6	E28 Y29 A30 V34 E35 N36	E28-K32 PolarHBondContact O-N 2.89Å; Y29-K32 WeakPolarHBondContact O-CB 3.14Å; Y29-K32 PolarHBondContact O-N 3.38Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.78Å; K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 PolarHBondContact O-N 3.01Å; K32-E35 HydrophobicContact CD-CB 4.2Å; K32-E35 WeakPolarHBondContact CD-OE2 3.5Å; K32-E35 IonicContact NZ-OE2 2.69Å; K32-E35 PolarHBondContact NZ-OE2 3.48Å; K32-E35 PolarHBondContact O-N 3.22Å; K32-N36 VanDerWaalsContact O-CG 3.29Å; K32-N36 PolarHBondContact O-N 2.76Å; K32-N36 VanDerWaalsContact O-N 3.16Å; K32-N36 PolarHBondContact O-ND2 3.28Å
33	A	96.9	Very high	97.5	Very high	42 Å²	42	37 Å²	37	35%	0.347	19%	0.186	S	C	.	.	H	α-helix	trans	-64.4	-35	171.9	0	0	0	0	0	112.2	Y29 A30 M31 N36	Y29-A33 PolarHBondContact O-N 2.86Å; A30-A33 WeakPolarHBondContact O-CB 3.42Å; A30-A33 PolarHBondContact O-N 3.4Å; A30-A33 VanDerWaalsContact O-N 3.15Å; M31-A33 VanDerWaalsContact C-N 3.29Å; M31-A33 PolarHBondContact O-N 3.48Å; A33-N36 PolarHBondContact O-N 3.04Å
34	V	98.1	Very high	97.7	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-46.8	171.8	-177.1	0	0	0	0	110.9	A30 M31 K32 N36 S37 A82 P157 G170	A30-V34 PolarHBondContact O-N 3.15Å; M31-V34 WeakPolarHBondContact O-CA 3.46Å; M31-V34 VanDerWaalsContact O-CB 3.29Å; M31-V34 WeakPolarHBondContact O-CB 3.06Å; M31-V34 PolarHBondContact O-N 3.38Å; K32-V34 VanDerWaalsContact C-N 3.3Å; K32-V34 PolarHBondContact O-N 3.01Å; V34-N36 PolarHBondContact O-N 3.36Å; V34-S37 VanDerWaalsContact O-CB 3.29Å; V34-S37 WeakPolarHBondContact O-CB 3.43Å; V34-S37 PolarHBondContact O-N 3.01Å; V34-A82 HydrophobicContact CG1-CB 4.16Å; V34-P157 HydrophobicContact CG2-CG 3.87Å; V34-G170 WeakPolarHBondContact O-CA 3.29Å
35	E	96.4	Very high	97.8	Very high	98 Å²	98	35.7 Å²	35.7	46%	0.458	18%	0.178	S	C	.	.	H	α-helix	trans	-62.7	-19.9	178.8	-67.6	178.9	-179.9	0	0	113.5	M31 K32 K171	M31-E35 PolarHBondContact O-N 2.89Å; K32-E35 HydrophobicContact CD-CB 4.2Å; K32-E35 WeakPolarHBondContact CD-OE2 3.5Å; K32-E35 IonicContact NZ-OE2 2.69Å; K32-E35 PolarHBondContact NZ-OE2 3.48Å; K32-E35 PolarHBondContact O-N 3.22Å; E35-K171 WeakPolarHBondContact O-CA 3.4Å; E35-K171 VanDerWaalsContact O-CB 3.27Å; E35-K171 WeakPolarHBondContact O-CB 3.34Å; E35-K171 PolarHBondContact O-N 3.37Å
36	N	95.3	Very high	97.8	Very high	121 Å²	121	41 Å²	41	65%	0.647	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.3	175.8	-65.8	-19.1	0	0	0	113	K32 A33 V34	K32-N36 VanDerWaalsContact O-CG 3.29Å; K32-N36 PolarHBondContact O-N 2.76Å; K32-N36 VanDerWaalsContact O-N 3.16Å; K32-N36 PolarHBondContact O-ND2 3.28Å; A33-N36 PolarHBondContact O-N 3.04Å; V34-N36 PolarHBondContact O-N 3.36Å
37	S	97.1	Very high	97.8	Very high	21 Å²	21	39.6 Å²	39.6	15%	0.147	20%	0.195	C	C	.	.	S	Bend	trans	-86.9	152.1	177.5	-165.8	0	0	0	0	111.1	V34 G83 G170 K171	V34-S37 VanDerWaalsContact O-CB 3.29Å; V34-S37 WeakPolarHBondContact O-CB 3.43Å; V34-S37 PolarHBondContact O-N 3.01Å; S37-G83 PolarHBondContact OG-N 2.87Å; S37-G170 CarbonylContact O-C 3.53Å; S37-G170 VanDerWaalsContact O-CA 3.32Å; S37-G170 WeakPolarHBondContact O-CA 3.35Å; S37-K171 PolarHBondContact O-N 3.42Å
38	S	97.4	Very high	97.8	Very high	14 Å²	14	39 Å²	39	10%	0.098	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.5	158.6	176.2	56.1	0	0	0	0	111.9	E54 R69	S38-E54 VanDerWaalsContact CB-O 3.24Å; S38-E54 WeakPolarHBondContact CB-O 3.32Å; S38-E54 WeakPolarHBondContact CB-OE2 3.36Å; S38-E54 PolarHBondContact OG-O 2.95Å; S38-R69 PolarHBondContact O-NH1 2.67Å; S38-R69 PolarHBondContact O-NH2 2.81Å; S38-R69 PolarHBondContact OG-NH1 3.23Å
39	T	98.6	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-74.6	141.1	-162.3	-52.1	0	0	0	0	111.8	I41 E54 I169 A172 A176 V204	T39-I41 HydrophobicContact CG2-CG2 4.12Å; T39-E54 PolarHBondContact N-OE2 2.96Å; T39-E54 WeakPolarHBondContact O-CB 3.37Å; T39-E54 PolarHBondContact O-N 3.29Å; T39-E54 PolarHBondContact OG1-OE2 3.44Å; T39-I169 WeakPolarHBondContact CA-O 3.42Å; T39-A172 HydrophobicContact CG2-CB 4.46Å; T39-A172 VanDerWaalsContact OG1-CB 3.29Å; T39-A172 WeakPolarHBondContact OG1-CB 3.31Å; T39-A172 PolarHBondContact OG1-N 3.41Å; T39-A172 VanDerWaalsContact OG1-N 3.16Å; T39-A176 HydrophobicContact CG2-CB 4.23Å; T39-V204 HydrophobicContact CG2-CG2 4.31Å
40	A	98.8	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.3	168.9	0	0	0	0	0	109	G52 V53 A168 I169	A40-G52 CarbonylContact C-O 3.59Å; A40-G52 WeakPolarHBondContact CA-O 3.27Å; A40-V53 HydrophobicContact CB-CB 4.43Å; A40-V53 HydrophobicContact CB-CG1 4.21Å; A40-V53 HydrophobicContact CB-CG2 3.85Å; A40-A168 WeakPolarHBondContact O-CA 3.47Å; A40-I169 HydrophobicContact CB-CD1 4.38Å; A40-I169 HydrophobicContact CB-CG1 3.94Å; A40-I169 PolarHBondContact N-O 3.42Å; A40-I169 PolarHBondContact O-N 2.96Å
41	I	98.9	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.8	-179.6	71.1	-178.6	0	0	0	110.7	T39 I43 F51 G52 C167 A168 A176 I180 V197 I200 I201	T39-I41 HydrophobicContact CG2-CG2 4.12Å; I41-I43 HydrophobicContact CD1-CD1 4.42Å; I41-F51 WeakPolarHBondContact O-CA 3.4Å; I41-G52 PolarHBondContact N-O 2.98Å; I41-G52 PolarHBondContact O-N 3.46Å; I41-C167 CarbonylContact C-O 3.55Å; I41-C167 VanDerWaalsContact CA-O 3.27Å; I41-C167 WeakPolarHBondContact CA-O 3.38Å; I41-A168 HydrophobicContact CG2-CB 3.76Å; I41-A176 HydrophobicContact CG2-CB 3.96Å; I41-I180 HydrophobicContact CB-CD1 4.35Å; I41-I180 HydrophobicContact CG2-CD1 4.36Å; I41-V197 HydrophobicContact CD1-CB 4.44Å; I41-V197 HydrophobicContact CD1-CG1 4.02Å; I41-V197 HydrophobicContact CD1-CG2 4.43Å; I41-V197 HydrophobicContact CG1-CG1 4.13Å; I41-I200 HydrophobicContact CD1-CB 3.98Å; I41-I200 HydrophobicContact CD1-CG2 3.75Å; I41-I201 HydrophobicContact CD1-CD1 4.04Å; I41-I201 HydrophobicContact CD1-CG1 4Å; I41-I201 HydrophobicContact CG1-CD1 4.03Å; I41-I201 HydrophobicContact CG1-CG1 4.32Å; I41-I201 HydrophobicContact CG2-CD1 4.28Å
42	G	98.8	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.6	169.7	0	0	0	0	0	109	V50 L152 G166 C167	G42-V50 WeakPolarHBondContact CA-O 3.24Å; G42-L152 VanDerWaalsContact O-CD2 3.31Å; G42-L152 WeakPolarHBondContact O-CD2 3.09Å; G42-G166 CarbonylContact O-C 3.54Å; G42-G166 WeakPolarHBondContact O-CA 3.42Å; G42-C167 PolarHBondContact N-O 2.97Å; G42-C167 PolarHBondContact O-N 3.23Å
43	I	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.4	-178.7	-47.9	175.7	0	0	0	108.8	I41 I49 V50 I180 L183 M185 L193 V197 I200	I41-I43 HydrophobicContact CD1-CD1 4.42Å; I43-I49 WeakPolarHBondContact O-CA 3.41Å; I43-V50 PolarHBondContact N-O 2.71Å; I43-V50 PolarHBondContact O-N 2.98Å; I43-I180 HydrophobicContact CD1-CD1 4.32Å; I43-I180 HydrophobicContact CD1-CG1 3.78Å; I43-I180 HydrophobicContact CD1-CG2 4.43Å; I43-I180 HydrophobicContact CG1-CD1 4.27Å; I43-I180 HydrophobicContact CG1-CG1 4.21Å; I43-I180 HydrophobicContact CG1-CG2 4.48Å; I43-L183 HydrophobicContact CD1-CD1 4.01Å; I43-M185 HydrophobicContact CG2-CB 4Å; I43-M185 HydrophobicContact CG2-CG 4.47Å; I43-M185 HydrophobicContact CG2-SD 3.89Å; I43-L193 HydrophobicContact CB-CD1 4.11Å; I43-L193 HydrophobicContact CB-CD2 3.83Å; I43-L193 HydrophobicContact CB-CG 4.35Å; I43-L193 HydrophobicContact CD1-CD1 4.17Å; I43-L193 HydrophobicContact CG2-CD1 3.8Å; I43-L193 HydrophobicContact CG2-CD2 3.85Å; I43-L193 HydrophobicContact CG2-CG 4.4Å; I43-L193 WeakPolarHBondContact O-CD2 3.25Å; I43-V197 HydrophobicContact CD1-CG2 3.73Å; I43-V197 HydrophobicContact CG1-CG2 4.21Å; I43-I200 HydrophobicContact CD1-CD1 4.05Å
44	R	98.6	Very high	98.1	Very high	67 Å²	67	22.5 Å²	22.5	25%	0.253	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.9	175.8	172.9	-175.7	169.8	172.7	8.1	109.2	I49 A150 L152 W165	R44-I49 HydrophobicContact CB-CG1 4.33Å; R44-A150 HydrophobicContact CG-CB 3.79Å; R44-A150 PolarHBondContact NE-O 3.41Å; R44-A150 PolarHBondContact NH1-O 3.33Å; R44-A150 PolarHBondContact NH2-O 2.91Å; R44-L152 HydrophobicContact CB-CB 4.34Å; R44-W165 HydrophobicContact CB-CE3 4.4Å; R44-W165 WeakPolarHBondContact CB-O 3.06Å; R44-W165 HydrophobicContact CG-CE3 4.06Å; R44-W165 HydrophobicContact CG-CZ3 4.12Å; R44-W165 PolarHBondContact N-O 3.44Å
45	C	98.3	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.11	C	C	.	.			trans	-116.3	-171.7	172.2	57.5	0	0	0	0	111.8	D47 G48 M185 M188 C190 L193	C45-D47 VanDerWaalsContact C-N 3.28Å; C45-D47 PolarHBondContact O-N 2.86Å; C45-D47 PolarHBondContact SG-OD1 3.44Å; C45-G48 PolarHBondContact N-O 2.87Å; C45-G48 VanDerWaalsContact SG-C 3.59Å; C45-G48 PolarHBondContact SG-O 3.36Å; C45-M185 VanDerWaalsContact CA-O 3.24Å; C45-M185 WeakPolarHBondContact CA-O 2.88Å; C45-M185 WeakPolarHBondContact CB-O 3.45Å; C45-M188 WeakPolarHBondContact CB-O 3.39Å; C45-C190 PolarHBondContact SG-N 2.77Å; C45-C190 VanDerWaalsContact SG-N 3.4Å; C45-C190 PolarHBondContact SG-SG 3.26Å; C45-L193 HydrophobicContact CB-CD2 3.67Å
46	K	97.4	Very high	98.1	Very high	122 Å²	122	20.2 Å²	20.2	53%	0.53	10%	0.099	S	C	.	.	S	Bend	trans	-67.9	-28.5	-174.3	78.4	-166.4	167.2	-167.1	0	113.8	K186 E187 M188	K46-K186 WeakPolarHBondContact CB-O 3.42Å; K46-E187 WeakPolarHBondContact CD-O 3.4Å; K46-E187 WeakPolarHBondContact CE-O 3.48Å; K46-E187 PolarHBondContact NZ-O 3.23Å; K46-M188 VanDerWaalsContact CG-O 3.24Å; K46-M188 WeakPolarHBondContact CG-O 3.49Å; K46-M188 PolarHBondContact N-O 2.96Å
47	D	97.8	Very high	98.1	Very high	20 Å²	20	16.9 Å²	16.9	11%	0.107	8%	0.083	C	C	.	.	S	Bend	trans	-121.2	8.8	-171.1	62.1	-18.4	0	0	0	112.9	C45 Y144 T189 C190 G221 E222	C45-D47 VanDerWaalsContact C-N 3.28Å; C45-D47 PolarHBondContact O-N 2.86Å; C45-D47 PolarHBondContact SG-OD1 3.44Å; D47-Y144 WeakPolarHBondContact O-CE2 3.39Å; D47-T189 VanDerWaalsContact OD1-CA 3.23Å; D47-T189 WeakPolarHBondContact OD1-CA 3.46Å; D47-T189 WeakPolarHBondContact OD2-CB 3.42Å; D47-C190 PolarHBondContact OD1-N 3.26Å; D47-C190 PolarHBondContact OD2-N 3.23Å; D47-G221 CarbonylContact O-C 3.5Å; D47-G221 WeakPolarHBondContact O-CA 3.44Å; D47-E222 HydrophobicContact CB-CB 4.15Å; D47-E222 PolarHBondContact O-N 3.44Å
48	G	98.4	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-154.5	177.2	0	0	0	0	0	115.3	C45 A150 C190 V220	C45-G48 PolarHBondContact N-O 2.87Å; C45-G48 VanDerWaalsContact SG-C 3.59Å; C45-G48 PolarHBondContact SG-O 3.36Å; G48-A150 WeakPolarHBondContact O-CB 3.44Å; G48-C190 WeakPolarHBondContact CA-SG 3.26Å; G48-V220 CarbonylContact C-O 3.52Å; G48-V220 VanDerWaalsContact CA-O 3.23Å; G48-V220 WeakPolarHBondContact CA-O 3.45Å
49	I	98.8	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.8	-179.2	-62.4	95.8	0	0	0	108.9	I43 R44 F51 S143 A150 Q151 L152 W219 V220	I43-I49 WeakPolarHBondContact O-CA 3.41Å; R44-I49 HydrophobicContact CB-CG1 4.33Å; I49-F51 HydrophobicContact CG2-CD2 4.42Å; I49-F51 HydrophobicContact CG2-CE1 4.23Å; I49-F51 HydrophobicContact CG2-CE2 4.05Å; I49-F51 HydrophobicContact CG2-CZ 3.97Å; I49-S143 WeakPolarHBondContact CD1-O 3.32Å; I49-A150 HydrophobicContact CD1-CB 3.69Å; I49-A150 HydrophobicContact CG1-CB 4.35Å; I49-Q151 WeakPolarHBondContact CD1-O 3.11Å; I49-L152 HydrophobicContact CG2-CD1 3.7Å; I49-W219 CarbonylContact O-C 3.58Å; I49-W219 WeakPolarHBondContact O-CA 3.46Å; I49-W219 WeakPolarHBondContact O-CB 3.29Å; I49-V220 HydrophobicContact CB-CG1 4.03Å; I49-V220 HydrophobicContact CD1-CG1 4.02Å; I49-V220 PolarHBondContact N-O 3.16Å; I49-V220 PolarHBondContact O-N 3.36Å
50	V	98.9	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	169.5	-176.1	0	0	0	0	109.4	G42 I43 C190 L193 V194 V197 S218 W219	G42-V50 WeakPolarHBondContact CA-O 3.24Å; I43-V50 PolarHBondContact N-O 2.71Å; I43-V50 PolarHBondContact O-N 2.98Å; V50-C190 HydrophobicContact CG2-CB 4.25Å; V50-L193 HydrophobicContact CB-CD2 4.14Å; V50-L193 HydrophobicContact CB-CG 4.28Å; V50-L193 HydrophobicContact CG2-CB 4.15Å; V50-L193 HydrophobicContact CG2-CD2 3.98Å; V50-L193 HydrophobicContact CG2-CG 4.13Å; V50-V194 HydrophobicContact CB-CG2 4.5Å; V50-V194 HydrophobicContact CG1-CG2 3.75Å; V50-V194 HydrophobicContact CG2-CG2 3.87Å; V50-V197 HydrophobicContact CB-CG2 4.12Å; V50-V197 HydrophobicContact CG1-CB 4.14Å; V50-V197 HydrophobicContact CG1-CG1 4.2Å; V50-V197 HydrophobicContact CG1-CG2 3.88Å; V50-S218 WeakPolarHBondContact CA-O 3.48Å; V50-W219 HydrophobicContact CG2-CB 4.34Å
51	F	98.9	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.1	170.8	-63	-71.9	0	0	0	110.9	I41 I49 I70 A80 I140 L152 L217 S218 H228	I41-F51 WeakPolarHBondContact O-CA 3.4Å; I49-F51 HydrophobicContact CG2-CD2 4.42Å; I49-F51 HydrophobicContact CG2-CE1 4.23Å; I49-F51 HydrophobicContact CG2-CE2 4.05Å; I49-F51 HydrophobicContact CG2-CZ 3.97Å; F51-I70 HydrophobicContact CB-CD1 4.21Å; F51-A80 HydrophobicContact CB-CB 4.25Å; F51-A80 HydrophobicContact CD1-CB 3.67Å; F51-A80 HydrophobicContact CE1-CB 4.19Å; F51-A80 HydrophobicContact CG-CB 4.06Å; F51-I140 HydrophobicContact CE1-CB 4Å; F51-I140 HydrophobicContact CE1-CG2 3.73Å; F51-L152 HydrophobicContact CE1-CD1 3.78Å; F51-L152 HydrophobicContact CZ-CD1 4.1Å; F51-L217 WeakPolarHBondContact O-CA 3.41Å; F51-S218 WeakPolarHBondContact CB-OG 3.21Å; F51-S218 WeakPolarHBondContact CD2-OG 3.41Å; F51-S218 PolarHBondContact N-O 3.38Å; F51-S218 PolarHBondContact O-N 2.99Å; F51-H228 AromaticContact CD2-NE2 3.95Å
52	G	98.8	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.2	171.1	0	0	0	0	0	111.2	A40 I41 V197 E216	A40-G52 CarbonylContact C-O 3.59Å; A40-G52 WeakPolarHBondContact CA-O 3.27Å; I41-G52 PolarHBondContact N-O 2.98Å; I41-G52 PolarHBondContact O-N 3.46Å; G52-V197 VanDerWaalsContact CA-CG1 3.48Å; G52-E216 CarbonylContact C-O 3.48Å; G52-E216 WeakPolarHBondContact CA-O 3.4Å
53	V	98.8	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.9	176.6	-175.2	0	0	0	0	111	A40 K55 R69 I70 A80 E216	A40-V53 HydrophobicContact CB-CB 4.43Å; A40-V53 HydrophobicContact CB-CG1 4.21Å; A40-V53 HydrophobicContact CB-CG2 3.85Å; V53-K55 PolarHBondContact O-N 3.17Å; V53-R69 HydrophobicContact CG1-CB 3.86Å; V53-R69 HydrophobicContact CG1-CG 4.42Å; V53-R69 HydrophobicContact CG2-CB 4.46Å; V53-I70 HydrophobicContact CG2-CD1 3.94Å; V53-I70 HydrophobicContact CG2-CG1 3.66Å; V53-A80 HydrophobicContact CG2-CB 4.29Å; V53-E216 HydrophobicContact CB-CB 4.22Å; V53-E216 PolarHBondContact N-O 3.22Å; V53-E216 PolarHBondContact O-N 3.16Å
54	E	98.3	Very high	96.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	96.8	165.7	-176.1	-159	177.7	0	0	108.3	S38 T39 L56 R69 K171 I201 H205 F213	S38-E54 VanDerWaalsContact CB-O 3.24Å; S38-E54 WeakPolarHBondContact CB-O 3.32Å; S38-E54 WeakPolarHBondContact CB-OE2 3.36Å; S38-E54 PolarHBondContact OG-O 2.95Å; T39-E54 PolarHBondContact N-OE2 2.96Å; T39-E54 WeakPolarHBondContact O-CB 3.37Å; T39-E54 PolarHBondContact O-N 3.29Å; T39-E54 PolarHBondContact OG1-OE2 3.44Å; E54-L56 HydrophobicContact CG-CD2 4.32Å; E54-R69 PolarHBondContact O-NH1 2.91Å; E54-K171 WeakPolarHBondContact OE1-CE 2.99Å; E54-K171 IonicContact OE1-NZ 3.39Å; E54-K171 PolarHBondContact OE1-NZ 3.33Å; E54-K171 WeakPolarHBondContact OE2-CE 3.42Å; E54-K171 IonicContact OE2-NZ 2.7Å; E54-K171 PolarHBondContact OE2-NZ 3.12Å; E54-I201 HydrophobicContact CB-CD1 4.5Å; E54-I201 HydrophobicContact CB-CG2 4Å; E54-H205 IonicContact OE1-CE1 2.7Å; E54-H205 IonicContact OE1-CG 2.76Å; E54-H205 IonicContact OE1-ND1 3.7Å; E54-H205 PolarHBondContact OE1-ND1 3.09Å; E54-F213 HydrophobicContact CG-CB 4.19Å; E54-F213 HydrophobicContact CG-CD2 4.15Å; E54-F213 HydrophobicContact CG-CG 4.16Å
55	K	97.6	Very high	96.6	Very high	14 Å²	14	57.9 Å²	57.9	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	99.7	178.4	-173.4	-176.8	62.7	-176.9	0	110.8	V53 V57 S66 F213 E214 E216	V53-K55 PolarHBondContact O-N 3.17Å; K55-V57 PolarHBondContact O-N 3.04Å; K55-S66 WeakPolarHBondContact CD-O 3.28Å; K55-S66 WeakPolarHBondContact CE-O 3.29Å; K55-S66 PolarHBondContact NZ-O 2.92Å; K55-F213 CarbonylContact O-C 3.58Å; K55-F213 WeakPolarHBondContact O-CA 3.23Å; K55-E214 WeakPolarHBondContact CB-O 3.3Å; K55-E214 WeakPolarHBondContact CE-OE2 3.38Å; K55-E214 PolarHBondContact N-O 2.7Å; K55-E214 IonicContact NZ-OE1 3.38Å; K55-E214 PolarHBondContact NZ-OE1 2.92Å; K55-E214 IonicContact NZ-OE2 2.81Å; K55-E214 PolarHBondContact NZ-OE2 3.48Å; K55-E214 PolarHBondContact O-N 3.39Å; K55-E216 HydrophobicContact CB-CG 4.28Å; K55-E216 HydrophobicContact CD-CG 4.32Å; K55-E216 VanDerWaalsContact CD-OE1 3.28Å; K55-E216 WeakPolarHBondContact CD-OE1 3.42Å; K55-E216 VanDerWaalsContact CE-OE1 3.31Å; K55-E216 WeakPolarHBondContact CE-OE1 3.37Å; K55-E216 IonicContact NZ-OE1 3.69Å; K55-E216 PolarHBondContact NZ-OE1 3Å
56	L	96.1	Very high	96.3	Very high	45 Å²	45	60.1 Å²	60.1	24%	0.236	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.1	178.8	-59.8	-179.1	0	0	0	112.1	E54 L58 D210 F213	E54-L56 HydrophobicContact CG-CD2 4.32Å; L56-L58 HydrophobicContact CB-CD2 4.47Å; L56-L58 PolarHBondContact O-N 3.39Å; L56-D210 HydrophobicContact CD2-CB 4.13Å; L56-F213 HydrophobicContact CD2-CB 4.04Å
57	V	95.6	Very high	96.2	Very high	50 Å²	50	57.5 Å²	57.5	30%	0.303	29%	0.29	S	S	.	.			trans	-88.6	96.7	175.3	-177.2	0	0	0	0	108.4	K55 S59 A212 E214	K55-V57 PolarHBondContact O-N 3.04Å; V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 WeakPolarHBondContact CG1-O 3.37Å; V57-S59 PolarHBondContact O-N 3.34Å; V57-A212 WeakPolarHBondContact CB-O 3.29Å; V57-A212 PolarHBondContact N-O 3.18Å; V57-E214 HydrophobicContact CG2-CB 4.2Å
58	L	93.6	Very high	96.1	Very high	102 Å²	102	61 Å²	61	53%	0.534	30%	0.304	S	S	.	.			trans	-69.7	-27.6	-175.8	-59.1	179.3	0	0	0	113.3	L56 Y62 K211	L56-L58 HydrophobicContact CB-CD2 4.47Å; L56-L58 PolarHBondContact O-N 3.39Å; L58-Y62 HydrophobicContact CB-CE2 4.07Å; L58-K211 HydrophobicContact CD2-CD 4.47Å; L58-K211 PolarHBondContact O-NZ 3.26Å
59	S	94.9	Very high	96.1	Very high	39 Å²	39	61.7 Å²	61.7	27%	0.273	31%	0.307	S	S	.	.			trans	-149.4	138	-179.2	-179	0	0	0	0	110.2	V57 L61 Y62	V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 WeakPolarHBondContact CG1-O 3.37Å; V57-S59 PolarHBondContact O-N 3.34Å; S59-L61 PolarHBondContact O-N 2.95Å; S59-L61 WeakPolarHBondContact OG-CB 3.49Å; S59-L61 PolarHBondContact OG-N 2.81Å; S59-Y62 PolarHBondContact O-N 3.43Å
60	K	93.6	Very high	96.1	Very high	206 Å²	206	61.9 Å²	61.9	90%	0.896	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.4	172.1	-63.3	-176.7	177.8	-176.8	0	113.3	Y62	K60-Y62 VanDerWaalsContact C-N 3.31Å
61	L	96.7	Very high	96.1	Very high	159 Å²	159	63 Å²	63	83%	0.832	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.1	176	-58.1	176.8	0	0	0	112.8	S59	S59-L61 PolarHBondContact O-N 2.95Å; S59-L61 WeakPolarHBondContact OG-CB 3.49Å; S59-L61 PolarHBondContact OG-N 2.81Å
62	Y	95	Very high	96.1	Very high	125 Å²	125	66.3 Å²	66.3	49%	0.49	33%	0.331	S	S	.	.	S	Bend	trans	-80.9	137.5	175.3	-64.1	-22.6	0	0	0	110.4	L58 S59 K60	L58-Y62 HydrophobicContact CB-CE2 4.07Å; S59-Y62 PolarHBondContact O-N 3.43Å; K60-Y62 VanDerWaalsContact C-N 3.31Å
63	E	96.4	Very high	96.1	Very high	162 Å²	162	66.8 Å²	66.8	76%	0.757	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-60.6	145.1	169.7	-69.1	-68.4	171.3	0	0	111	S66	E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-S66 VanDerWaalsContact O-N 3.15Å
64	E	92.3	Very high	96.1	Very high	150 Å²	150	67.7 Å²	67.7	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	139.8	172.5	-168	-176.6	163.9	0	0	110.2	S66	E64-S66 PolarHBondContact O-N 2.84Å
65	G	91.5	Very high	96	Very high	20 Å²	20	74.7 Å²	74.7	21%	0.206	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.5	-177.9	0	0	0	0	0	114.7	K68 E214	G65-K68 WeakPolarHBondContact O-CE 3.48Å; G65-K68 WeakPolarHBondContact O-CG 3.28Å; G65-E214 WeakPolarHBondContact CA-OE1 3.37Å; G65-E214 PolarHBondContact N-OE1 3.17Å; G65-E214 PolarHBondContact N-OE2 2.75Å
66	S	93.1	Very high	96	Very high	49 Å²	49	74.9 Å²	74.9	34%	0.343	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	158	170.3	-173.1	0	0	0	0	111.5	K55 E63 E64 K68	K55-S66 WeakPolarHBondContact CD-O 3.28Å; K55-S66 WeakPolarHBondContact CE-O 3.29Å; K55-S66 PolarHBondContact NZ-O 2.92Å; E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 3.29Å; E63-S66 VanDerWaalsContact O-N 3.15Å; E64-S66 PolarHBondContact O-N 2.84Å; S66-K68 VanDerWaalsContact C-N 3.32Å; S66-K68 PolarHBondContact O-N 3.38Å
67	N	94.3	Very high	96.1	Very high	66 Å²	66	72.7 Å²	72.7	35%	0.353	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.7	178.4	-61.2	-60.6	0	0	0	114.7	R69 L85 R89	N67-R69 PolarHBondContact O-N 3.25Å; N67-L85 HydrophobicContact CB-CD2 4.15Å; N67-R89 PolarHBondContact OD1-NH2 2.9Å
68	K	96.7	Very high	96.3	Very high	93 Å²	93	70.3 Å²	70.3	40%	0.404	34%	0.344	S	S	.	.			trans	-49.4	138.5	176.6	-60.7	-169.6	175.1	-173.4	0	112.4	G65 S66 F71 E216 F230	G65-K68 WeakPolarHBondContact O-CE 3.48Å; G65-K68 WeakPolarHBondContact O-CG 3.28Å; S66-K68 VanDerWaalsContact C-N 3.32Å; S66-K68 PolarHBondContact O-N 3.38Å; K68-F71 WeakPolarHBondContact O-CZ 3.38Å; K68-E216 WeakPolarHBondContact CA-OE1 3.27Å; K68-F230 HydrophobicContact CD-CE2 4.42Å; K68-F230 HydrophobicContact CD-CZ 3.9Å
69	R	98.5	Very high	96.6	Very high	15 Å²	15	65.5 Å²	65.5	6%	0.057	32%	0.318	C	S	.	.			trans	-113.4	2.1	177.4	-68.6	180	59.3	-165.9	2.4	112.6	S38 V53 E54 N67 A80 V81 L85 E216	S38-R69 PolarHBondContact O-NH1 2.67Å; S38-R69 PolarHBondContact O-NH2 2.81Å; S38-R69 PolarHBondContact OG-NH1 3.23Å; V53-R69 HydrophobicContact CG1-CB 3.86Å; V53-R69 HydrophobicContact CG1-CG 4.42Å; V53-R69 HydrophobicContact CG2-CB 4.46Å; E54-R69 PolarHBondContact O-NH1 2.91Å; N67-R69 PolarHBondContact O-N 3.25Å; R69-A80 WeakPolarHBondContact O-CA 3.39Å; R69-V81 HydrophobicContact CB-CG2 4.08Å; R69-V81 HydrophobicContact CG-CG2 4.42Å; R69-V81 VanDerWaalsContact CZ-O 3.23Å; R69-V81 PolarHBondContact NE-O 2.95Å; R69-V81 PolarHBondContact NH2-O 3.27Å; R69-V81 WeakPolarHBondContact O-CG2 3.46Å; R69-V81 PolarHBondContact O-N 2.94Å; R69-L85 HydrophobicContact CG-CD1 4.21Å; R69-E216 PolarHBondContact N-OE2 3.17Å
70	I	98.8	Very high	96.7	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.4	169.8	-57.2	-179.9	0	0	0	108.3	F51 V53 M79 A80 E216 S218 F230	F51-I70 HydrophobicContact CB-CD1 4.21Å; V53-I70 HydrophobicContact CG2-CD1 3.94Å; V53-I70 HydrophobicContact CG2-CG1 3.66Å; I70-M79 CarbonylContact C-O 3.58Å; I70-M79 VanDerWaalsContact CA-O 3.31Å; I70-M79 WeakPolarHBondContact CA-O 3.23Å; I70-A80 HydrophobicContact CG1-CB 4.42Å; I70-E216 HydrophobicContact CD1-CB 3.84Å; I70-E216 HydrophobicContact CG1-CB 4.39Å; I70-S218 WeakPolarHBondContact CD1-OG 3.48Å; I70-S218 VanDerWaalsContact CG2-OG 3.25Å; I70-S218 WeakPolarHBondContact CG2-OG 3.4Å; I70-F230 HydrophobicContact CB-CE1 3.94Å; I70-F230 HydrophobicContact CB-CZ 4Å; I70-F230 HydrophobicContact CD1-CE1 4.39Å; I70-F230 HydrophobicContact CG2-CE1 4.17Å; I70-F230 HydrophobicContact CG2-CZ 4.12Å
71	F	98.8	Very high	97	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.7	-178.7	-54.9	-77.2	0	0	0	111.3	K68 I73 M79 V81 L85 R89 A92	K68-F71 WeakPolarHBondContact O-CZ 3.38Å; F71-I73 HydrophobicContact CB-CD1 4.09Å; F71-M79 HydrophobicContact CB-CB 4.43Å; F71-M79 PolarHBondContact N-O 3Å; F71-M79 PolarHBondContact O-N 2.68Å; F71-V81 HydrophobicContact CD2-CG1 3.86Å; F71-V81 HydrophobicContact CE2-CB 4.44Å; F71-V81 HydrophobicContact CE2-CG1 3.72Å; F71-V81 HydrophobicContact CE2-CG2 3.8Å; F71-L85 HydrophobicContact CZ-CD1 4.13Å; F71-R89 HydrophobicContact CE1-CG 4.14Å; F71-R89 HydrophobicContact CZ-CG 3.91Å; F71-A92 HydrophobicContact CB-CB 4.35Å; F71-A92 HydrophobicContact CD2-CB 4.23Å; F71-A92 HydrophobicContact CG-CB 4.15Å
72	N	98.7	Very high	97.1	Very high	70 Å²	70	46.3 Å²	46.3	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.3	163	-63.5	1.1	0	0	0	107.8	R96 H228	N72-R96 PolarHBondContact O-NE 2.72Å; N72-R96 PolarHBondContact O-NH2 3.13Å; N72-H228 PolarHBondContact OD1-CE1 2.85Å; N72-H228 PolarHBondContact OD1-ND1 3.33Å
73	I	98.6	Very high	97.2	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-41.7	177.2	-59	-50.4	0	0	0	110.5	F71 V77 M79 A92 A95 R96 L115 L141	F71-I73 HydrophobicContact CB-CD1 4.09Å; I73-V77 HydrophobicContact CB-CB 4.22Å; I73-V77 HydrophobicContact CB-CG1 4.02Å; I73-V77 PolarHBondContact N-O 3.29Å; I73-M79 HydrophobicContact CD1-CB 3.78Å; I73-M79 HydrophobicContact CD1-CG 4.35Å; I73-M79 HydrophobicContact CD1-SD 3.58Å; I73-M79 VanDerWaalsContact CD1-SD 3.58Å; I73-M79 HydrophobicContact CG1-CB 3.44Å; I73-M79 VanDerWaalsContact CG1-CB 3.44Å; I73-M79 HydrophobicContact CG1-CG 4.34Å; I73-M79 HydrophobicContact CG1-SD 3.96Å; I73-A92 HydrophobicContact CD1-CB 3.77Å; I73-A95 HydrophobicContact CD1-CB 4.29Å; I73-A95 HydrophobicContact CG1-CB 4.44Å; I73-A95 HydrophobicContact CG2-CB 3.51Å; I73-R96 HydrophobicContact CD1-CG 4.49Å; I73-R96 HydrophobicContact CG2-CG 4.39Å; I73-R96 VanDerWaalsContact O-CG 3.28Å; I73-R96 WeakPolarHBondContact O-CG 3.2Å; I73-L115 HydrophobicContact CG2-CD2 4.04Å; I73-L141 HydrophobicContact CG1-CD2 4.34Å
74	D	98.2	Very high	97.3	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	178.6	167.8	-156.6	-10.3	0	0	0	108.2	H76 V77 A99 R103	D74-H76 PolarHBondContact O-N 3.22Å; D74-H76 IonicContact OD2-CE1 3.49Å; D74-H76 PolarHBondContact OD2-CE1 3.49Å; D74-H76 IonicContact OD2-ND1 2.77Å; D74-V77 HydrophobicContact CB-CB 4.24Å; D74-V77 HydrophobicContact CB-CG2 4.21Å; D74-V77 PolarHBondContact N-O 2.93Å; D74-V77 PolarHBondContact O-N 3.42Å; D74-A99 HydrophobicContact CB-CB 4.19Å; D74-R103 IonicContact OD1-CZ 2.69Å; D74-R103 IonicContact OD1-NH1 2.91Å; D74-R103 PolarHBondContact OD1-NH1 2.85Å; D74-R103 VanDerWaalsContact OD1-NH1 3.1Å; D74-R103 IonicContact OD1-NH2 3.38Å; D74-R103 PolarHBondContact OD1-NH2 3.19Å; D74-R103 IonicContact OD2-CZ 3.83Å; D74-R103 IonicContact OD2-NH1 3.22Å; D74-R103 PolarHBondContact OD2-NH1 3.02Å; D74-R103 IonicContact OD2-NH2 3.39Å; D74-R103 PolarHBondContact OD2-NH2 2.96Å
75	K	97.3	Very high	97.6	Very high	148 Å²	148	32.1 Å²	32.1	64%	0.643	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.8	179.3	-65.2	177.8	-176.1	171.7	0	112.3	R227 H228	K75-R227 CarbonylContact O-C 3.44Å; K75-R227 VanDerWaalsContact O-CA 3.26Å; K75-R227 WeakPolarHBondContact O-CA 3.27Å; K75-H228 PolarHBondContact O-N 3.28Å
76	H	98	Very high	97.9	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.079	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	6.4	-176.3	65.3	-53.7	0	0	0	113.8	D74 I110 S143 G226	D74-H76 PolarHBondContact O-N 3.22Å; D74-H76 IonicContact OD2-CE1 3.49Å; D74-H76 PolarHBondContact OD2-CE1 3.49Å; D74-H76 IonicContact OD2-ND1 2.77Å; H76-I110 PolarHBondContact NE2-O 2.98Å; H76-S143 PolarHBondContact CD2-OG 3.41Å; H76-S143 VanDerWaalsContact CD2-OG 3.25Å; H76-S143 VanDerWaalsContact O-CA 3.32Å; H76-S143 WeakPolarHBondContact O-CA 3.32Å; H76-S143 VanDerWaalsContact O-CB 3.27Å; H76-S143 WeakPolarHBondContact O-CB 3.07Å; H76-S143 PolarHBondContact O-OG 2.98Å; H76-G226 WeakPolarHBondContact CA-O 3.46Å; H76-G226 VanDerWaalsContact CB-O 3.24Å; H76-G226 WeakPolarHBondContact CB-O 3.42Å
77	V	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.6	-175.3	-175.1	0	0	0	0	111.7	I73 D74 L112 L115 L141 G142	I73-V77 HydrophobicContact CB-CB 4.22Å; I73-V77 HydrophobicContact CB-CG1 4.02Å; I73-V77 PolarHBondContact N-O 3.29Å; D74-V77 HydrophobicContact CB-CB 4.24Å; D74-V77 HydrophobicContact CB-CG2 4.21Å; D74-V77 PolarHBondContact N-O 2.93Å; D74-V77 PolarHBondContact O-N 3.42Å; V77-L112 HydrophobicContact CG1-CD1 3.7Å; V77-L112 HydrophobicContact CG2-CD1 4.19Å; V77-L115 HydrophobicContact CB-CD2 4.45Å; V77-L115 HydrophobicContact CG1-CD2 3.89Å; V77-L115 HydrophobicContact CG2-CD2 4.2Å; V77-L141 HydrophobicContact CG1-CD2 4.31Å; V77-G142 WeakPolarHBondContact CA-O 3.39Å
78	G	98.8	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.7	168.8	0	0	0	0	0	112.7	L141 G142 H228	G78-L141 WeakPolarHBondContact O-CA 3.47Å; G78-G142 PolarHBondContact N-O 3.37Å; G78-G142 PolarHBondContact O-N 2.92Å; G78-H228 WeakPolarHBondContact CA-CD2 3.45Å; G78-H228 WeakPolarHBondContact CA-ND1 3.48Å; G78-H228 WeakPolarHBondContact CA-NE2 3.45Å
79	M	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.8	175.4	179.1	173.4	164.2	0	0	111.1	I70 F71 I73 V81 L91 A92 F139 I140 L141	I70-M79 CarbonylContact C-O 3.58Å; I70-M79 VanDerWaalsContact CA-O 3.31Å; I70-M79 WeakPolarHBondContact CA-O 3.23Å; F71-M79 HydrophobicContact CB-CB 4.43Å; F71-M79 PolarHBondContact N-O 3Å; F71-M79 PolarHBondContact O-N 2.68Å; I73-M79 HydrophobicContact CD1-CB 3.78Å; I73-M79 HydrophobicContact CD1-CG 4.35Å; I73-M79 HydrophobicContact CD1-SD 3.58Å; I73-M79 VanDerWaalsContact CD1-SD 3.58Å; I73-M79 HydrophobicContact CG1-CB 3.44Å; I73-M79 VanDerWaalsContact CG1-CB 3.44Å; I73-M79 HydrophobicContact CG1-CG 4.34Å; I73-M79 HydrophobicContact CG1-SD 3.96Å; M79-V81 HydrophobicContact CE-CG1 3.67Å; M79-V81 HydrophobicContact CG-CG1 3.9Å; M79-V81 HydrophobicContact SD-CG1 4.49Å; M79-L91 HydrophobicContact CE-CB 4.11Å; M79-A92 HydrophobicContact CE-CB 4.37Å; M79-A92 HydrophobicContact SD-CB 4.17Å; M79-F139 HydrophobicContact CE-CB 3.56Å; M79-F139 HydrophobicContact CE-CD1 3.96Å; M79-F139 HydrophobicContact CE-CD2 3.83Å; M79-F139 HydrophobicContact CE-CG 3.52Å; M79-F139 HydrophobicContact CG-CB 4.03Å; M79-F139 HydrophobicContact CG-CD2 4.24Å; M79-F139 HydrophobicContact CG-CG 4.46Å; M79-F139 HydrophobicContact SD-CB 4.44Å; M79-F139 HydrophobicContact SD-CD2 4.14Å; M79-F139 HydrophobicContact SD-CG 4.39Å; M79-I140 CarbonylContact C-O 3.52Å; M79-I140 VanDerWaalsContact CA-O 3.25Å; M79-I140 WeakPolarHBondContact CA-O 3.48Å; M79-L141 HydrophobicContact CB-CD2 3.75Å; M79-L141 HydrophobicContact CG-CD2 3.86Å; M79-L141 HydrophobicContact SD-CD2 4.08Å
80	A	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.3	171.7	0	0	0	0	0	110.3	F51 V53 R69 I70 F139 I140	F51-A80 HydrophobicContact CB-CB 4.25Å; F51-A80 HydrophobicContact CD1-CB 3.67Å; F51-A80 HydrophobicContact CE1-CB 4.19Å; F51-A80 HydrophobicContact CG-CB 4.06Å; V53-A80 HydrophobicContact CG2-CB 4.29Å; R69-A80 WeakPolarHBondContact O-CA 3.39Å; I70-A80 HydrophobicContact CG1-CB 4.42Å; A80-F139 CarbonylContact O-C 3.52Å; A80-F139 VanDerWaalsContact O-CA 3.24Å; A80-F139 WeakPolarHBondContact O-CA 3.37Å; A80-I140 PolarHBondContact N-O 3.29Å; A80-I140 PolarHBondContact O-N 2.98Å
81	V	98.8	Very high	98.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152	-169.4	-48.6	0	0	0	0	113.3	R69 F71 M79 L85 A88 F139	R69-V81 HydrophobicContact CB-CG2 4.08Å; R69-V81 HydrophobicContact CG-CG2 4.42Å; R69-V81 VanDerWaalsContact CZ-O 3.23Å; R69-V81 PolarHBondContact NE-O 2.95Å; R69-V81 PolarHBondContact NH2-O 3.27Å; R69-V81 WeakPolarHBondContact O-CG2 3.46Å; R69-V81 PolarHBondContact O-N 2.94Å; F71-V81 HydrophobicContact CD2-CG1 3.86Å; F71-V81 HydrophobicContact CE2-CB 4.44Å; F71-V81 HydrophobicContact CE2-CG1 3.72Å; F71-V81 HydrophobicContact CE2-CG2 3.8Å; M79-V81 HydrophobicContact CE-CG1 3.67Å; M79-V81 HydrophobicContact CG-CG1 3.9Å; M79-V81 HydrophobicContact SD-CG1 4.49Å; V81-L85 HydrophobicContact CG2-CD1 4.09Å; V81-A88 HydrophobicContact CB-CB 3.78Å; V81-A88 HydrophobicContact CG1-CB 3.99Å; V81-A88 HydrophobicContact CG2-CB 3.66Å; V81-F139 HydrophobicContact CB-CB 4.43Å; V81-F139 HydrophobicContact CG1-CB 3.92Å
82	A	98.6	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	166.1	0	0	0	0	0	111.7	V34 C137 S138 I169	V34-A82 HydrophobicContact CG1-CB 4.16Å; A82-C137 CarbonylContact O-C 3.58Å; A82-C137 WeakPolarHBondContact O-CA 3.37Å; A82-C137 VanDerWaalsContact O-CB 3.32Å; A82-C137 WeakPolarHBondContact O-CB 3.38Å; A82-S138 PolarHBondContact N-O 2.76Å; A82-S138 PolarHBondContact O-N 3.39Å; A82-S138 VanDerWaalsContact O-O 3.13Å; A82-I169 HydrophobicContact CB-CB 4.11Å; A82-I169 HydrophobicContact CB-CD1 3.58Å; A82-I169 HydrophobicContact CB-CG1 3.62Å
83	G	98.3	Very high	98.5	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.4	-147.6	-174.7	0	0	0	0	0	112.3	S37 L85 G136	S37-G83 PolarHBondContact OG-N 2.87Å; G83-L85 PolarHBondContact O-N 3.34Å; G83-G136 CarbonylContact C-O 3.46Å; G83-G136 WeakPolarHBondContact CA-O 3.45Å
84	L	98.3	Very high	98.5	Very high	83 Å²	83	33.2 Å²	33.2	44%	0.435	18%	0.176	S	C	.	.			trans	-71.4	111.2	-179	-176	59.5	0	0	0	110.9	A86 D87 A88 G136	L84-A86 VanDerWaalsContact C-N 3.28Å; L84-A86 PolarHBondContact O-N 3.3Å; L84-D87 HydrophobicContact CB-CB 4.36Å; L84-D87 WeakPolarHBondContact O-CB 3.49Å; L84-D87 PolarHBondContact O-N 3.11Å; L84-D87 VanDerWaalsContact O-N 3.16Å; L84-A88 PolarHBondContact O-N 3.1Å; L84-A88 VanDerWaalsContact O-N 3.09Å; L84-G136 PolarHBondContact N-O 3.17Å
85	L	98.2	Very high	98.5	Very high	38 Å²	38	32.3 Å²	32.3	20%	0.199	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-29.6	-172.1	-171.6	58.2	0	0	0	114	N67 R69 F71 V81 G83 A88 R89	N67-L85 HydrophobicContact CB-CD2 4.15Å; R69-L85 HydrophobicContact CG-CD1 4.21Å; F71-L85 HydrophobicContact CZ-CD1 4.13Å; V81-L85 HydrophobicContact CG2-CD1 4.09Å; G83-L85 PolarHBondContact O-N 3.34Å; L85-A88 PolarHBondContact O-N 2.84Å; L85-R89 VanDerWaalsContact CD2-NH2 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 3.19Å
86	A	98.4	Very high	98.6	Very high	63 Å²	63	28.9 Å²	28.9	52%	0.521	15%	0.154	S	C	.	.	H	α-helix	trans	-64.5	-45.1	176	0	0	0	0	0	111.7	L84 A88 R89 S90	L84-A86 VanDerWaalsContact C-N 3.28Å; L84-A86 PolarHBondContact O-N 3.3Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-R89 PolarHBondContact O-N 3.09Å; A86-S90 PolarHBondContact O-N 3.27Å; A86-S90 VanDerWaalsContact O-N 3.14Å
87	D	98.6	Very high	98.7	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.08	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-42.8	174.9	-74.7	14.6	0	0	0	110.8	L84 R89 S90 L91 R133 F135 G136	L84-D87 HydrophobicContact CB-CB 4.36Å; L84-D87 WeakPolarHBondContact O-CB 3.49Å; L84-D87 PolarHBondContact O-N 3.11Å; L84-D87 VanDerWaalsContact O-N 3.16Å; D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 3.49Å; D87-S90 WeakPolarHBondContact O-CB 3.49Å; D87-S90 PolarHBondContact O-N 2.92Å; D87-S90 VanDerWaalsContact O-N 3.14Å; D87-L91 PolarHBondContact O-N 3.49Å; D87-R133 IonicContact OD1-CZ 2.75Å; D87-R133 IonicContact OD1-NH1 2.61Å; D87-R133 IonicContact OD1-NH2 2.88Å; D87-R133 PolarHBondContact OD1-NH2 2.84Å; D87-R133 IonicContact OD2-CZ 3.17Å; D87-R133 IonicContact OD2-NH1 3.71Å; D87-R133 PolarHBondContact OD2-NH1 2.65Å; D87-R133 IonicContact OD2-NH2 3.76Å; D87-R133 PolarHBondContact OD2-NH2 2.95Å; D87-F135 HydrophobicContact CB-CD1 4.02Å; D87-G136 PolarHBondContact OD2-N 3.21Å
88	A	98.6	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-38.9	179.5	0	0	0	0	0	112.9	V81 L84 L85 A86 L91 A92 C137	V81-A88 HydrophobicContact CB-CB 3.78Å; V81-A88 HydrophobicContact CG1-CB 3.99Å; V81-A88 HydrophobicContact CG2-CB 3.66Å; L84-A88 PolarHBondContact O-N 3.1Å; L84-A88 VanDerWaalsContact O-N 3.09Å; L85-A88 PolarHBondContact O-N 2.84Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A88-L91 PolarHBondContact O-N 3.46Å; A88-A92 WeakPolarHBondContact O-CB 3.41Å; A88-A92 PolarHBondContact O-N 2.95Å; A88-C137 HydrophobicContact CB-CB 4.11Å
89	R	98.6	Very high	98.6	Very high	107 Å²	107	35.7 Å²	35.7	40%	0.404	19%	0.186	S	C	.	.	H	α-helix	trans	-64.4	-40.6	173.1	-73.7	175.7	-176.6	137.1	-1.4	111.7	N67 F71 L85 A86 D87 A92 E93	N67-R89 PolarHBondContact OD1-NH2 2.9Å; F71-R89 HydrophobicContact CE1-CG 4.14Å; F71-R89 HydrophobicContact CZ-CG 3.91Å; L85-R89 VanDerWaalsContact CD2-NH2 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 3.19Å; A86-R89 PolarHBondContact O-N 3.09Å; D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 3.49Å; R89-A92 WeakPolarHBondContact O-CB 3.36Å; R89-A92 PolarHBondContact O-N 2.78Å; R89-E93 PolarHBondContact O-N 3.02Å; R89-E93 VanDerWaalsContact O-N 3.09Å
90	S	98.6	Very high	98.6	Very high	57 Å²	57	38.7 Å²	38.7	40%	0.399	21%	0.207	S	C	.	.	H	α-helix	trans	-60.3	-46.7	175.1	-171.6	0	0	0	0	111.4	A86 D87 A92 E93 V94	A86-S90 PolarHBondContact O-N 3.27Å; A86-S90 VanDerWaalsContact O-N 3.14Å; D87-S90 WeakPolarHBondContact O-CB 3.49Å; D87-S90 PolarHBondContact O-N 2.92Å; D87-S90 VanDerWaalsContact O-N 3.14Å; S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 PolarHBondContact O-N 3.05Å; S90-E93 PolarHBondContact O-N 3.25Å; S90-E93 VanDerWaalsContact O-N 3.15Å; S90-V94 WeakPolarHBondContact O-CG2 3.38Å; S90-V94 PolarHBondContact O-N 3.27Å
91	L	98.8	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-32.7	176.4	-69.2	179.6	0	0	0	113.1	M79 D87 A88 E93 V94 A95 Y122 V123 F135 C137 F139	M79-L91 HydrophobicContact CE-CB 4.11Å; D87-L91 PolarHBondContact O-N 3.49Å; A88-L91 PolarHBondContact O-N 3.46Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-V94 PolarHBondContact O-N 3.44Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 2.77Å; L91-Y122 HydrophobicContact CD2-CD1 4.12Å; L91-Y122 HydrophobicContact CD2-CE1 4.35Å; L91-V123 HydrophobicContact CD1-CG2 3.89Å; L91-V123 HydrophobicContact CD2-CG2 3.75Å; L91-F135 HydrophobicContact CD1-CB 4.12Å; L91-F135 HydrophobicContact CD1-CD1 4.11Å; L91-F135 HydrophobicContact CD1-CD2 4.46Å; L91-F135 HydrophobicContact CD1-CG 3.98Å; L91-F135 HydrophobicContact CD2-CD1 4.06Å; L91-F135 HydrophobicContact CD2-CD2 4.03Å; L91-F135 HydrophobicContact CD2-CE1 3.88Å; L91-F135 HydrophobicContact CD2-CE2 3.84Å; L91-F135 HydrophobicContact CD2-CG 4.14Å; L91-F135 HydrophobicContact CD2-CZ 3.79Å; L91-F135 HydrophobicContact CG-CD1 3.93Å; L91-F135 HydrophobicContact CG-CE1 4.09Å; L91-F135 HydrophobicContact CG-CG 4.21Å; L91-F135 HydrophobicContact CG-CZ 4.49Å; L91-C137 WeakPolarHBondContact CD1-SG 3.41Å; L91-F139 HydrophobicContact CD1-CD1 4Å; L91-F139 HydrophobicContact CD1-CE1 3.72Å
92	A	98.8	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-38.5	172.7	0	0	0	0	0	111.8	F71 I73 M79 A88 R89 S90 A95 R96	F71-A92 HydrophobicContact CB-CB 4.35Å; F71-A92 HydrophobicContact CD2-CB 4.23Å; F71-A92 HydrophobicContact CG-CB 4.15Å; I73-A92 HydrophobicContact CD1-CB 3.77Å; M79-A92 HydrophobicContact CE-CB 4.37Å; M79-A92 HydrophobicContact SD-CB 4.17Å; A88-A92 WeakPolarHBondContact O-CB 3.41Å; A88-A92 PolarHBondContact O-N 2.95Å; R89-A92 WeakPolarHBondContact O-CB 3.36Å; R89-A92 PolarHBondContact O-N 2.78Å; S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 PolarHBondContact O-N 3.05Å; A92-A95 PolarHBondContact O-N 2.87Å; A92-R96 WeakPolarHBondContact O-CB 3.42Å; A92-R96 WeakPolarHBondContact O-CD 3.28Å; A92-R96 VanDerWaalsContact O-CG 3.23Å; A92-R96 WeakPolarHBondContact O-CG 3.31Å; A92-R96 PolarHBondContact O-N 2.76Å
93	E	98.8	Very high	98.6	Very high	107 Å²	107	46 Å²	46	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-67.2	-43.7	173.5	-65.7	-52	142.1	0	0	112.2	R89 S90 L91 A95 R96 E97	R89-E93 PolarHBondContact O-N 3.02Å; R89-E93 VanDerWaalsContact O-N 3.09Å; S90-E93 PolarHBondContact O-N 3.25Å; S90-E93 VanDerWaalsContact O-N 3.15Å; L91-E93 VanDerWaalsContact C-N 3.32Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.32Å; E93-R96 WeakPolarHBondContact O-CB 3.16Å; E93-R96 PolarHBondContact O-N 3.21Å; E93-R96 IonicContact OE1-CZ 3.1Å; E93-R96 IonicContact OE1-NH1 2.76Å; E93-R96 PolarHBondContact OE1-NH1 3.3Å; E93-E97 WeakPolarHBondContact O-CB 3.37Å; E93-E97 PolarHBondContact O-N 2.94Å
94	V	98.8	Very high	98.6	Very high	25 Å²	25	49.5 Å²	49.5	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-42.6	175	172.8	0	0	0	0	111	S90 L91 E97 E98 Y122	S90-V94 WeakPolarHBondContact O-CG2 3.38Å; S90-V94 PolarHBondContact O-N 3.27Å; L91-V94 PolarHBondContact O-N 3.44Å; V94-E97 PolarHBondContact O-N 3.02Å; V94-E98 WeakPolarHBondContact O-CB 3.45Å; V94-E98 PolarHBondContact O-N 3.15Å; V94-Y122 HydrophobicContact CB-CE1 4.49Å; V94-Y122 HydrophobicContact CG1-CD1 3.88Å; V94-Y122 HydrophobicContact CG1-CD2 4.11Å; V94-Y122 HydrophobicContact CG1-CE1 4.14Å; V94-Y122 HydrophobicContact CG1-CE2 4.36Å; V94-Y122 HydrophobicContact CG1-CG 3.85Å; V94-Y122 HydrophobicContact CG2-CD1 4.28Å; V94-Y122 HydrophobicContact CG2-CE1 3.73Å; V94-Y122 HydrophobicContact CG2-CE2 4.48Å
95	A	98.8	Very high	98.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-38	178.3	0	0	0	0	0	112.4	I73 L91 A92 E93 A99 L115 V119	I73-A95 HydrophobicContact CD1-CB 4.29Å; I73-A95 HydrophobicContact CG1-CB 4.44Å; I73-A95 HydrophobicContact CG2-CB 3.51Å; L91-A95 WeakPolarHBondContact O-CB 3.48Å; L91-A95 PolarHBondContact O-N 2.77Å; A92-A95 PolarHBondContact O-N 2.87Å; E93-A95 VanDerWaalsContact C-N 3.28Å; E93-A95 PolarHBondContact O-N 3.32Å; A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.15Å; A95-L115 HydrophobicContact CB-CD1 4.4Å; A95-V119 HydrophobicContact CB-CG2 3.71Å
96	R	98.9	Very high	98.6	Very high	76 Å²	76	56.7 Å²	56.7	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-44.6	173.6	-77.2	164.9	178	152.9	6.4	111.5	N72 I73 A92 E93 A99 S100	N72-R96 PolarHBondContact O-NE 2.72Å; N72-R96 PolarHBondContact O-NH2 3.13Å; I73-R96 HydrophobicContact CD1-CG 4.49Å; I73-R96 HydrophobicContact CG2-CG 4.39Å; I73-R96 VanDerWaalsContact O-CG 3.28Å; I73-R96 WeakPolarHBondContact O-CG 3.2Å; A92-R96 WeakPolarHBondContact O-CB 3.42Å; A92-R96 WeakPolarHBondContact O-CD 3.28Å; A92-R96 VanDerWaalsContact O-CG 3.23Å; A92-R96 WeakPolarHBondContact O-CG 3.31Å; A92-R96 PolarHBondContact O-N 2.76Å; E93-R96 WeakPolarHBondContact O-CB 3.16Å; E93-R96 PolarHBondContact O-N 3.21Å; E93-R96 IonicContact OE1-CZ 3.1Å; E93-R96 IonicContact OE1-NH1 2.76Å; E93-R96 PolarHBondContact OE1-NH1 3.3Å; R96-A99 PolarHBondContact O-N 3.18Å; R96-S100 VanDerWaalsContact O-CB 3.29Å; R96-S100 WeakPolarHBondContact O-CB 3.48Å; R96-S100 PolarHBondContact O-N 3.44Å
97	E	98.8	Very high	98.5	Very high	121 Å²	121	56.9 Å²	56.9	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-62.6	-46.9	178.1	-175.7	176.8	-178.4	0	0	111	E93 V94 A99 S100 N101	E93-E97 WeakPolarHBondContact O-CB 3.37Å; E93-E97 PolarHBondContact O-N 2.94Å; V94-E97 PolarHBondContact O-N 3.02Å; E97-A99 PolarHBondContact O-N 3.47Å; E97-S100 PolarHBondContact O-N 3.01Å; E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 3.15Å; E97-N101 PolarHBondContact O-ND2 2.9Å
98	E	98.8	Very high	98.4	Very high	38 Å²	38	60.9 Å²	60.9	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.3	-175	67.4	-161.5	0	0	111.8	V94 N101 F102 I110 L115 R118	V94-E98 WeakPolarHBondContact O-CB 3.45Å; V94-E98 PolarHBondContact O-N 3.15Å; E98-N101 PolarHBondContact O-N 3.24Å; E98-F102 WeakPolarHBondContact O-CB 3.37Å; E98-F102 PolarHBondContact O-N 3.46Å; E98-I110 HydrophobicContact CG-CD1 4.35Å; E98-L115 HydrophobicContact CB-CD1 4.13Å; E98-L115 HydrophobicContact CG-CD1 4.16Å; E98-R118 HydrophobicContact CG-CB 3.8Å; E98-R118 HydrophobicContact CG-CG 4.29Å; E98-R118 WeakPolarHBondContact OE1-CG 3.45Å; E98-R118 IonicContact OE1-CZ 2.65Å; E98-R118 IonicContact OE1-NE 2.76Å; E98-R118 PolarHBondContact OE1-NE 2.86Å; E98-R118 IonicContact OE1-NH2 3.76Å; E98-R118 PolarHBondContact OE1-NH2 2.89Å; E98-R118 IonicContact OE2-NE 2.77Å; E98-R118 IonicContact OE2-NH2 3.21Å; E98-R118 PolarHBondContact OE2-NH2 3.47Å
99	A	98.6	Very high	98.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-43	176.5	0	0	0	0	0	112.4	D74 A95 R96 E97 F102 R103 I110 L115	D74-A99 HydrophobicContact CB-CB 4.19Å; A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.15Å; R96-A99 PolarHBondContact O-N 3.18Å; E97-A99 PolarHBondContact O-N 3.47Å; A99-F102 PolarHBondContact O-N 3.06Å; A99-R103 PolarHBondContact O-N 2.98Å; A99-I110 HydrophobicContact CB-CG2 3.76Å; A99-L115 HydrophobicContact CB-CD1 4.44Å
100	S	98.6	Very high	98.3	Very high	63 Å²	63	59.5 Å²	59.5	44%	0.441	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-44.7	177.1	-176	0	0	0	0	112.2	R96 E97 R103 S104	R96-S100 VanDerWaalsContact O-CB 3.29Å; R96-S100 WeakPolarHBondContact O-CB 3.48Å; R96-S100 PolarHBondContact O-N 3.44Å; E97-S100 PolarHBondContact O-N 3.01Å; S100-R103 PolarHBondContact O-N 3.25Å; S100-S104 WeakPolarHBondContact O-CB 3.49Å; S100-S104 PolarHBondContact O-N 2.93Å; S100-S104 PolarHBondContact O-OG 3.01Å
101	N	98.6	Very high	98.3	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-42.8	177.6	-72.9	-19.4	0	0	0	111.1	E97 E98 S104 N105	E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.39Å; E97-N101 PolarHBondContact O-N 3.15Å; E97-N101 PolarHBondContact O-ND2 2.9Å; E98-N101 PolarHBondContact O-N 3.24Å; N101-S104 PolarHBondContact O-N 3.32Å; N101-N105 WeakPolarHBondContact O-CB 3.11Å; N101-N105 VanDerWaalsContact O-CG 3.23Å; N101-N105 PolarHBondContact O-N 3.45Å; N101-N105 PolarHBondContact O-ND2 3.2Å; N101-N105 VanDerWaalsContact O-ND2 3.12Å
102	F	98.7	Very high	98.3	Very high	18 Å²	18	58.8 Å²	58.8	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-50.9	175.6	-175	-79.3	0	0	0	111.2	E98 A99 S104 N105 Y106 H108 I110 H114	E98-F102 WeakPolarHBondContact O-CB 3.37Å; E98-F102 PolarHBondContact O-N 3.46Å; A99-F102 PolarHBondContact O-N 3.06Å; F102-S104 VanDerWaalsContact C-N 3.28Å; F102-S104 PolarHBondContact O-N 3.46Å; F102-N105 PolarHBondContact O-N 3.06Å; F102-Y106 HydrophobicContact CB-CD2 4.41Å; F102-Y106 AromaticContact CD1-CD2 3.96Å; F102-Y106 HydrophobicContact CD1-CD2 3.96Å; F102-Y106 AromaticContact CD2-CD2 3.46Å; F102-Y106 HydrophobicContact CD2-CD2 3.46Å; F102-Y106 VanDerWaalsContact CD2-CD2 3.46Å; F102-Y106 AromaticContact CD2-CE2 3.63Å; F102-Y106 HydrophobicContact CD2-CE2 3.63Å; F102-Y106 AromaticContact CE1-CD2 3.98Å; F102-Y106 HydrophobicContact CE1-CD2 3.98Å; F102-Y106 HydrophobicContact CE1-CG 4.35Å; F102-Y106 AromaticContact CE2-CD2 3.49Å; F102-Y106 HydrophobicContact CE2-CD2 3.49Å; F102-Y106 VanDerWaalsContact CE2-CD2 3.49Å; F102-Y106 AromaticContact CE2-CE2 3.74Å; F102-Y106 HydrophobicContact CE2-CE2 3.74Å; F102-Y106 HydrophobicContact CE2-CG 4.29Å; F102-Y106 AromaticContact CG-CD2 3.7Å; F102-Y106 HydrophobicContact CG-CD2 3.7Å; F102-Y106 HydrophobicContact CG-CE2 4.24Å; F102-Y106 AromaticContact CZ-CD2 3.75Å; F102-Y106 HydrophobicContact CZ-CD2 3.75Å; F102-Y106 HydrophobicContact CZ-CE2 4.42Å; F102-Y106 HydrophobicContact CZ-CG 4.16Å; F102-Y106 VanDerWaalsContact O-CD2 3.27Å; F102-Y106 WeakPolarHBondContact O-CD2 3.43Å; F102-Y106 PolarHBondContact O-N 2.79Å; F102-H108 AromaticContact CE1-CE1 3.42Å; F102-H108 VanDerWaalsContact CE1-CE1 3.42Å; F102-H108 WeakPolarHBondContact CE1-CE1 3.43Å; F102-H108 AromaticContact CE1-ND1 3.76Å; F102-H108 AromaticContact CE1-NE2 3.91Å; F102-H108 AromaticContact CZ-CE1 3.66Å; F102-I110 HydrophobicContact CB-CB 4.04Å; F102-I110 HydrophobicContact CB-CD1 3.76Å; F102-I110 HydrophobicContact CB-CG1 4.09Å; F102-I110 HydrophobicContact CD1-CB 3.6Å; F102-I110 HydrophobicContact CD1-CG1 3.95Å; F102-I110 HydrophobicContact CD2-CB 4.4Å; F102-I110 HydrophobicContact CD2-CD1 3.91Å; F102-I110 HydrophobicContact CD2-CG1 3.83Å; F102-I110 HydrophobicContact CE1-CB 4.18Å; F102-I110 HydrophobicContact CE1-CG1 4.38Å; F102-I110 HydrophobicContact CE2-CG1 4.27Å; F102-I110 HydrophobicContact CG-CB 3.74Å; F102-I110 HydrophobicContact CG-CD1 3.82Å; F102-I110 HydrophobicContact CG-CG1 3.66Å; F102-H114 AromaticContact CD2-CD2 3.52Å; F102-H114 AromaticContact CD2-NE2 3.79Å; F102-H114 AromaticContact CE2-CD2 3.56Å; F102-H114 AromaticContact CE2-NE2 3.88Å
103	R	98.1	Very high	98.3	Very high	69 Å²	69	63.9 Å²	63.9	26%	0.26	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-40.1	177.9	-174.8	-175.3	-71.2	126.8	-5.5	112	D74 A99 S100 N105 G107 H108 D109	D74-R103 IonicContact OD1-CZ 2.69Å; D74-R103 IonicContact OD1-NH1 2.91Å; D74-R103 PolarHBondContact OD1-NH1 2.85Å; D74-R103 VanDerWaalsContact OD1-NH1 3.1Å; D74-R103 IonicContact OD1-NH2 3.38Å; D74-R103 PolarHBondContact OD1-NH2 3.19Å; D74-R103 IonicContact OD2-CZ 3.83Å; D74-R103 IonicContact OD2-NH1 3.22Å; D74-R103 PolarHBondContact OD2-NH1 3.02Å; D74-R103 IonicContact OD2-NH2 3.39Å; D74-R103 PolarHBondContact OD2-NH2 2.96Å; A99-R103 PolarHBondContact O-N 2.98Å; S100-R103 PolarHBondContact O-N 3.25Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 2.84Å; R103-G107 VanDerWaalsContact O-CA 3.26Å; R103-G107 WeakPolarHBondContact O-CA 3.27Å; R103-G107 PolarHBondContact O-N 2.96Å; R103-H108 WeakPolarHBondContact CA-O 3.33Å; R103-D109 IonicContact CZ-OD1 3.83Å; R103-D109 VanDerWaalsContact CZ-OD1 3.22Å; R103-D109 IonicContact NE-OD1 3.47Å; R103-D109 PolarHBondContact NE-OD1 2.87Å; R103-D109 IonicContact NH2-OD1 2.8Å; R103-D109 PolarHBondContact NH2-OD1 3.18Å
104	S	98.5	Very high	98.2	Very high	90 Å²	90	62 Å²	62	63%	0.629	33%	0.325	S	S	*	.	H	α-helix	trans	-65.2	-35.9	179.2	-59	0	0	0	0	112.5	S100 N101 F102	S100-S104 WeakPolarHBondContact O-CB 3.49Å; S100-S104 PolarHBondContact O-N 2.93Å; S100-S104 PolarHBondContact O-OG 3.01Å; N101-S104 PolarHBondContact O-N 3.32Å; F102-S104 VanDerWaalsContact C-N 3.28Å; F102-S104 PolarHBondContact O-N 3.46Å
105	N	98.3	Very high	98.2	Very high	123 Å²	123	60.8 Å²	60.8	66%	0.658	32%	0.318	S	S	*	.	H	α-helix	trans	-86.4	-37.7	-177.2	-68.3	-29.2	0	0	0	113.4	N101 F102 R103	N101-N105 WeakPolarHBondContact O-CB 3.11Å; N101-N105 VanDerWaalsContact O-CG 3.23Å; N101-N105 PolarHBondContact O-N 3.45Å; N101-N105 PolarHBondContact O-ND2 3.2Å; N101-N105 VanDerWaalsContact O-ND2 3.12Å; F102-N105 PolarHBondContact O-N 3.06Å; R103-N105 VanDerWaalsContact C-N 3.32Å; R103-N105 PolarHBondContact O-N 2.84Å
106	Y	97.9	Very high	98.2	Very high	149 Å²	149	60.8 Å²	60.8	58%	0.584	32%	0.318	S	S	*	.	H	α-helix	trans	-109.8	-10.5	-171.4	-57.3	-71.2	0	0	0	113.9	F102 H108	F102-Y106 HydrophobicContact CB-CD2 4.41Å; F102-Y106 AromaticContact CD1-CD2 3.96Å; F102-Y106 HydrophobicContact CD1-CD2 3.96Å; F102-Y106 AromaticContact CD2-CD2 3.46Å; F102-Y106 HydrophobicContact CD2-CD2 3.46Å; F102-Y106 VanDerWaalsContact CD2-CD2 3.46Å; F102-Y106 AromaticContact CD2-CE2 3.63Å; F102-Y106 HydrophobicContact CD2-CE2 3.63Å; F102-Y106 AromaticContact CE1-CD2 3.98Å; F102-Y106 HydrophobicContact CE1-CD2 3.98Å; F102-Y106 HydrophobicContact CE1-CG 4.35Å; F102-Y106 AromaticContact CE2-CD2 3.49Å; F102-Y106 HydrophobicContact CE2-CD2 3.49Å; F102-Y106 VanDerWaalsContact CE2-CD2 3.49Å; F102-Y106 AromaticContact CE2-CE2 3.74Å; F102-Y106 HydrophobicContact CE2-CE2 3.74Å; F102-Y106 HydrophobicContact CE2-CG 4.29Å; F102-Y106 AromaticContact CG-CD2 3.7Å; F102-Y106 HydrophobicContact CG-CD2 3.7Å; F102-Y106 HydrophobicContact CG-CE2 4.24Å; F102-Y106 AromaticContact CZ-CD2 3.75Å; F102-Y106 HydrophobicContact CZ-CD2 3.75Å; F102-Y106 HydrophobicContact CZ-CE2 4.42Å; F102-Y106 HydrophobicContact CZ-CG 4.16Å; F102-Y106 VanDerWaalsContact O-CD2 3.27Å; F102-Y106 WeakPolarHBondContact O-CD2 3.43Å; F102-Y106 PolarHBondContact O-N 2.79Å; Y106-H108 VanDerWaalsContact C-N 3.3Å; Y106-H108 PolarHBondContact O-CD2 3.41Å; Y106-H108 PolarHBondContact O-N 3.04Å
107	G	97.4	Very high	98.2	Very high	67 Å²	67	59.9 Å²	59.9	69%	0.691	32%	0.319	S	S	*	.	S	Bend	trans	76.8	7.9	172.4	0	0	0	0	0	115.7	R103	R103-G107 VanDerWaalsContact O-CA 3.26Å; R103-G107 WeakPolarHBondContact O-CA 3.27Å; R103-G107 PolarHBondContact O-N 2.96Å
108	H	96.4	Very high	98.2	Very high	99 Å²	99	59.3 Å²	59.3	46%	0.458	31%	0.311	S	S	.	.	S	Bend	trans	-140.3	170.6	175.9	68.6	85.3	0	0	0	111.7	F102 R103 Y106	F102-H108 AromaticContact CE1-CE1 3.42Å; F102-H108 VanDerWaalsContact CE1-CE1 3.42Å; F102-H108 WeakPolarHBondContact CE1-CE1 3.43Å; F102-H108 AromaticContact CE1-ND1 3.76Å; F102-H108 AromaticContact CE1-NE2 3.91Å; F102-H108 AromaticContact CZ-CE1 3.66Å; R103-H108 WeakPolarHBondContact CA-O 3.33Å; Y106-H108 VanDerWaalsContact C-N 3.3Å; Y106-H108 PolarHBondContact O-CD2 3.41Å; Y106-H108 PolarHBondContact O-N 3.04Å
109	D	97.1	Very high	98.2	Very high	77 Å²	77	57.5 Å²	57.5	41%	0.412	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-67.4	142.2	-179.6	-68	-22	0	0	0	111.3	R103	R103-D109 IonicContact CZ-OD1 3.83Å; R103-D109 VanDerWaalsContact CZ-OD1 3.22Å; R103-D109 IonicContact NE-OD1 3.47Å; R103-D109 PolarHBondContact NE-OD1 2.87Å; R103-D109 IonicContact NH2-OD1 2.8Å; R103-D109 PolarHBondContact NH2-OD1 3.18Å
110	I	98.1	Very high	98.2	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.4	130	-176.1	-172.2	167.8	0	0	0	111.1	H76 E98 A99 F102 H114 L115	H76-I110 PolarHBondContact NE2-O 2.98Å; E98-I110 HydrophobicContact CG-CD1 4.35Å; A99-I110 HydrophobicContact CB-CG2 3.76Å; F102-I110 HydrophobicContact CB-CB 4.04Å; F102-I110 HydrophobicContact CB-CD1 3.76Å; F102-I110 HydrophobicContact CB-CG1 4.09Å; F102-I110 HydrophobicContact CD1-CB 3.6Å; F102-I110 HydrophobicContact CD1-CG1 3.95Å; F102-I110 HydrophobicContact CD2-CB 4.4Å; F102-I110 HydrophobicContact CD2-CD1 3.91Å; F102-I110 HydrophobicContact CD2-CG1 3.83Å; F102-I110 HydrophobicContact CE1-CB 4.18Å; F102-I110 HydrophobicContact CE1-CG1 4.38Å; F102-I110 HydrophobicContact CE2-CG1 4.27Å; F102-I110 HydrophobicContact CG-CB 3.74Å; F102-I110 HydrophobicContact CG-CD1 3.82Å; F102-I110 HydrophobicContact CG-CG1 3.66Å; I110-H114 HydrophobicContact CG1-CB 4.37Å; I110-L115 HydrophobicContact CD1-CB 3.68Å; I110-L115 HydrophobicContact CD1-CD1 4Å; I110-L115 HydrophobicContact CD1-CG 4.39Å; I110-L115 HydrophobicContact CG1-CB 4.04Å; I110-L115 HydrophobicContact CG2-CB 4.3Å; I110-L115 HydrophobicContact CG2-CD2 4.28Å
111	P	98.1	Very high	98.2	Very high	42 Å²	42	60.6 Å²	60.6	27%	0.273	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.4	135.9	170.7	-23.3	34.2	0	0	0	111.1	K113 H114 L115	P111-K113 VanDerWaalsContact C-N 3.3Å; P111-K113 PolarHBondContact O-N 3.36Å; P111-H114 HydrophobicContact CB-CB 4.41Å; P111-H114 WeakPolarHBondContact O-CB 3.3Å; P111-H114 PolarHBondContact O-N 2.91Å; P111-L115 PolarHBondContact O-N 3.48Å
112	L	98.4	Very high	98.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-40.2	-173.6	-172.9	67.9	0	0	0	112.6	V77 H114 L115 S116 L141 Q151 Y153	V77-L112 HydrophobicContact CG1-CD1 3.7Å; V77-L112 HydrophobicContact CG2-CD1 4.19Å; L112-H114 VanDerWaalsContact C-N 3.28Å; L112-H114 PolarHBondContact O-N 3.15Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 2.86Å; L112-L141 HydrophobicContact CD1-CB 3.84Å; L112-Q151 HydrophobicContact CB-CB 4.28Å; L112-Q151 HydrophobicContact CD2-CB 3.55Å; L112-Q151 WeakPolarHBondContact CD2-O 3.37Å; L112-Y153 HydrophobicContact CD2-CD2 3.89Å; L112-Y153 HydrophobicContact CG-CD2 4.13Å
113	K	98.1	Very high	98.2	Very high	106 Å²	106	60.7 Å²	60.7	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-55.9	-44.7	175.1	-177.3	-178	-178.5	-57	0	111.4	P111 S116 D117 Y153	P111-K113 VanDerWaalsContact C-N 3.3Å; P111-K113 PolarHBondContact O-N 3.36Å; K113-S116 PolarHBondContact O-N 2.98Å; K113-D117 IonicContact NZ-OD2 3.33Å; K113-D117 PolarHBondContact NZ-OD2 2.93Å; K113-D117 VanDerWaalsContact O-CG 3.26Å; K113-D117 PolarHBondContact O-N 2.91Å; K113-Y153 HydrophobicContact CB-CE2 4.17Å; K113-Y153 HydrophobicContact CG-CE1 4.39Å; K113-Y153 WeakPolarHBondContact CG-OH 3.38Å
114	H	98.3	Very high	98.3	Very high	68 Å²	68	61.6 Å²	61.6	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-47.5	-180	-172.2	71.3	0	0	0	111	F102 I110 P111 L112 S116 D117 R118	F102-H114 AromaticContact CD2-CD2 3.52Å; F102-H114 AromaticContact CD2-NE2 3.79Å; F102-H114 AromaticContact CE2-CD2 3.56Å; F102-H114 AromaticContact CE2-NE2 3.88Å; I110-H114 HydrophobicContact CG1-CB 4.37Å; P111-H114 HydrophobicContact CB-CB 4.41Å; P111-H114 WeakPolarHBondContact O-CB 3.3Å; P111-H114 PolarHBondContact O-N 2.91Å; L112-H114 VanDerWaalsContact C-N 3.28Å; L112-H114 PolarHBondContact O-N 3.15Å; H114-S116 VanDerWaalsContact C-N 3.29Å; H114-S116 PolarHBondContact O-N 3.09Å; H114-D117 PolarHBondContact O-N 2.81Å; H114-R118 WeakPolarHBondContact O-CB 3.35Å; H114-R118 WeakPolarHBondContact O-CG 3.49Å; H114-R118 PolarHBondContact O-N 2.81Å
115	L	98.7	Very high	98.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-45.1	176	179.2	61.2	0	0	0	111.5	I73 V77 A95 E98 A99 I110 P111 L112 R118 V119 L141	I73-L115 HydrophobicContact CG2-CD2 4.04Å; V77-L115 HydrophobicContact CB-CD2 4.45Å; V77-L115 HydrophobicContact CG1-CD2 3.89Å; V77-L115 HydrophobicContact CG2-CD2 4.2Å; A95-L115 HydrophobicContact CB-CD1 4.4Å; E98-L115 HydrophobicContact CB-CD1 4.13Å; E98-L115 HydrophobicContact CG-CD1 4.16Å; A99-L115 HydrophobicContact CB-CD1 4.44Å; I110-L115 HydrophobicContact CD1-CB 3.68Å; I110-L115 HydrophobicContact CD1-CD1 4Å; I110-L115 HydrophobicContact CD1-CG 4.39Å; I110-L115 HydrophobicContact CG1-CB 4.04Å; I110-L115 HydrophobicContact CG2-CB 4.3Å; I110-L115 HydrophobicContact CG2-CD2 4.28Å; P111-L115 PolarHBondContact O-N 3.48Å; L112-L115 PolarHBondContact O-N 2.93Å; L115-R118 PolarHBondContact O-N 2.85Å; L115-V119 HydrophobicContact CD1-CG2 3.92Å; L115-V119 HydrophobicContact CG-CG2 4.45Å; L115-V119 VanDerWaalsContact O-CG2 3.31Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 2.91Å; L115-L141 HydrophobicContact CG-CD1 4.41Å
116	S	98.6	Very high	98.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-47.1	179	-173.6	0	0	0	0	112.1	L112 K113 H114 R118 A120 Y153 S161	L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 2.86Å; K113-S116 PolarHBondContact O-N 2.98Å; H114-S116 VanDerWaalsContact C-N 3.29Å; H114-S116 PolarHBondContact O-N 3.09Å; S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 3.31Å; S116-A120 WeakPolarHBondContact O-CB 3.35Å; S116-A120 PolarHBondContact O-N 3.45Å; S116-Y153 WeakPolarHBondContact OG-CB 3.44Å; S116-S161 PolarHBondContact OG-OG 3.12Å
117	D	98.7	Very high	98.3	Very high	57 Å²	57	50 Å²	50	31%	0.305	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-42.5	177.5	-70.6	-21.1	0	0	0	111	K113 H114 A120 M121	K113-D117 IonicContact NZ-OD2 3.33Å; K113-D117 PolarHBondContact NZ-OD2 2.93Å; K113-D117 VanDerWaalsContact O-CG 3.26Å; K113-D117 PolarHBondContact O-N 2.91Å; H114-D117 PolarHBondContact O-N 2.81Å; D117-A120 PolarHBondContact O-N 3.25Å; D117-M121 VanDerWaalsContact O-CG 3.28Å; D117-M121 WeakPolarHBondContact O-CG 3.46Å; D117-M121 PolarHBondContact O-N 3.47Å
118	R	98.7	Very high	98.3	Very high	108 Å²	108	50.6 Å²	50.6	41%	0.408	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-46.8	-178.3	-67.5	-68.8	-64	171.4	5.3	112.7	E98 H114 L115 S116 A120 M121 Y122	E98-R118 HydrophobicContact CG-CB 3.8Å; E98-R118 HydrophobicContact CG-CG 4.29Å; E98-R118 WeakPolarHBondContact OE1-CG 3.45Å; E98-R118 IonicContact OE1-CZ 2.65Å; E98-R118 IonicContact OE1-NE 2.76Å; E98-R118 PolarHBondContact OE1-NE 2.86Å; E98-R118 IonicContact OE1-NH2 3.76Å; E98-R118 PolarHBondContact OE1-NH2 2.89Å; E98-R118 IonicContact OE2-NE 2.77Å; E98-R118 IonicContact OE2-NH2 3.21Å; E98-R118 PolarHBondContact OE2-NH2 3.47Å; H114-R118 WeakPolarHBondContact O-CB 3.35Å; H114-R118 WeakPolarHBondContact O-CG 3.49Å; H114-R118 PolarHBondContact O-N 2.81Å; L115-R118 PolarHBondContact O-N 2.85Å; S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 3.31Å; R118-A120 VanDerWaalsContact C-N 3.35Å; R118-M121 PolarHBondContact O-N 3.29Å; R118-Y122 PolarHBondContact O-N 3.35Å; R118-Y122 VanDerWaalsContact O-N 3.11Å
119	V	98.6	Very high	98.3	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-36.7	177.4	-175.7	0	0	0	0	110.5	A95 L115 M121 Y122 V123 F139	A95-V119 HydrophobicContact CB-CG2 3.71Å; L115-V119 HydrophobicContact CD1-CG2 3.92Å; L115-V119 HydrophobicContact CG-CG2 4.45Å; L115-V119 VanDerWaalsContact O-CG2 3.31Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 2.91Å; V119-M121 PolarHBondContact O-N 3.4Å; V119-Y122 WeakPolarHBondContact O-CB 3.44Å; V119-Y122 PolarHBondContact O-N 3.5Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.3Å; V119-F139 HydrophobicContact CB-CZ 4.28Å; V119-F139 HydrophobicContact CG1-CE1 4.32Å; V119-F139 HydrophobicContact CG1-CE2 4.09Å; V119-F139 HydrophobicContact CG1-CZ 3.48Å; V119-F139 VanDerWaalsContact CG1-CZ 3.48Å
120	A	98.8	Very high	98.2	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-41.9	175.2	0	0	0	0	0	112.4	S116 D117 R118 Y122 V123 H124 V155 G159	S116-A120 WeakPolarHBondContact O-CB 3.35Å; S116-A120 PolarHBondContact O-N 3.45Å; D117-A120 PolarHBondContact O-N 3.25Å; R118-A120 VanDerWaalsContact C-N 3.35Å; A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 PolarHBondContact O-N 3.45Å; A120-V123 PolarHBondContact O-N 3.21Å; A120-H124 WeakPolarHBondContact O-CB 3.4Å; A120-H124 PolarHBondContact O-N 3.01Å; A120-V155 HydrophobicContact CB-CG1 3.86Å; A120-V155 HydrophobicContact CB-CG2 4.12Å; A120-G159 WeakPolarHBondContact CB-O 3.34Å; A120-G159 WeakPolarHBondContact O-CA 3.25Å
121	M	98.8	Very high	98.2	Very high	125 Å²	125	57.9 Å²	57.9	62%	0.616	30%	0.297	S	S	*	.	H	α-helix	trans	-61.2	-39.2	172.2	-75	179.6	70.1	0	0	112.5	D117 R118 V119 H124 A125	D117-M121 VanDerWaalsContact O-CG 3.28Å; D117-M121 WeakPolarHBondContact O-CG 3.46Å; D117-M121 PolarHBondContact O-N 3.47Å; R118-M121 PolarHBondContact O-N 3.29Å; V119-M121 PolarHBondContact O-N 3.4Å; M121-H124 PolarHBondContact O-N 3.09Å; M121-A125 PolarHBondContact O-N 2.91Å; M121-A125 VanDerWaalsContact O-N 3.09Å
122	Y	98.8	Very high	98.2	Very high	86 Å²	86	58.6 Å²	58.6	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-44.3	174.9	-174.9	-89.1	0	0	0	111.6	L91 V94 R118 V119 A120 H124 A125 Y126 F135	L91-Y122 HydrophobicContact CD2-CD1 4.12Å; L91-Y122 HydrophobicContact CD2-CE1 4.35Å; V94-Y122 HydrophobicContact CB-CE1 4.49Å; V94-Y122 HydrophobicContact CG1-CD1 3.88Å; V94-Y122 HydrophobicContact CG1-CD2 4.11Å; V94-Y122 HydrophobicContact CG1-CE1 4.14Å; V94-Y122 HydrophobicContact CG1-CE2 4.36Å; V94-Y122 HydrophobicContact CG1-CG 3.85Å; V94-Y122 HydrophobicContact CG2-CD1 4.28Å; V94-Y122 HydrophobicContact CG2-CE1 3.73Å; V94-Y122 HydrophobicContact CG2-CE2 4.48Å; R118-Y122 PolarHBondContact O-N 3.35Å; R118-Y122 VanDerWaalsContact O-N 3.11Å; V119-Y122 WeakPolarHBondContact O-CB 3.44Å; V119-Y122 PolarHBondContact O-N 3.5Å; A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 PolarHBondContact O-N 3.45Å; Y122-H124 PolarHBondContact O-N 3.27Å; Y122-A125 PolarHBondContact O-N 3.48Å; Y122-Y126 HydrophobicContact CD1-CE2 4.28Å; Y122-Y126 HydrophobicContact CE1-CD2 4.33Å; Y122-Y126 AromaticContact CE1-CE2 3.64Å; Y122-Y126 HydrophobicContact CE1-CE2 3.64Å; Y122-Y126 HydrophobicContact CE2-CE2 4.34Å; Y122-Y126 AromaticContact CZ-CE2 3.68Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.45Å; Y122-Y126 PolarHBondContact OH-OH 3.08Å; Y122-Y126 VanDerWaalsContact OH-OH 3.1Å; Y122-F135 HydrophobicContact CD1-CE2 4.18Å; Y122-F135 HydrophobicContact CD1-CZ 4.38Å; Y122-F135 AromaticContact CE1-CE2 3.99Å; Y122-F135 HydrophobicContact CE1-CE2 3.99Å; Y122-F135 AromaticContact CE1-CZ 3.78Å; Y122-F135 HydrophobicContact CE1-CZ 3.78Å
123	V	98.8	Very high	98.2	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-45.3	174.6	173.1	0	0	0	0	110.9	L91 V119 A120 A125 Y126 F135 F139	L91-V123 HydrophobicContact CD1-CG2 3.89Å; L91-V123 HydrophobicContact CD2-CG2 3.75Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.3Å; A120-V123 PolarHBondContact O-N 3.21Å; V123-A125 VanDerWaalsContact C-N 3.29Å; V123-A125 PolarHBondContact O-N 3.38Å; V123-Y126 WeakPolarHBondContact O-CB 3.48Å; V123-Y126 PolarHBondContact O-N 3.42Å; V123-Y126 VanDerWaalsContact O-N 3.09Å; V123-F135 HydrophobicContact CB-CD2 4.39Å; V123-F135 HydrophobicContact CG1-CD2 4.23Å; V123-F135 HydrophobicContact CG2-CD2 4.19Å; V123-F139 HydrophobicContact CG2-CE1 4.17Å
124	H	98.8	Very high	98.2	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-38.2	178.9	-178	61.7	0	0	0	112.7	A120 M121 Y122 Y126 T127 S158	A120-H124 WeakPolarHBondContact O-CB 3.4Å; A120-H124 PolarHBondContact O-N 3.01Å; M121-H124 PolarHBondContact O-N 3.09Å; Y122-H124 PolarHBondContact O-N 3.27Å; H124-Y126 PolarHBondContact O-N 3.04Å; H124-Y126 VanDerWaalsContact O-N 3.09Å; H124-T127 PolarHBondContact O-N 3.49Å; H124-T127 PolarHBondContact O-OG1 3.05Å; H124-S158 PolarHBondContact ND1-O 2.81Å
125	A	98.6	Very high	98.2	Very high	40 Å²	40	56.9 Å²	56.9	33%	0.331	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-27.6	178.4	0	0	0	0	0	113	M121 Y122 V123 T127 Y129	M121-A125 PolarHBondContact O-N 2.91Å; M121-A125 VanDerWaalsContact O-N 3.09Å; Y122-A125 PolarHBondContact O-N 3.48Å; V123-A125 VanDerWaalsContact C-N 3.29Å; V123-A125 PolarHBondContact O-N 3.38Å; A125-T127 PolarHBondContact O-N 3.48Å; A125-Y129 WeakPolarHBondContact O-CD2 3.31Å
126	Y	98.5	Very high	98.2	Very high	67 Å²	67	57.1 Å²	57.1	26%	0.263	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.3	177.7	-79.8	-111.2	0	0	0	113.9	Y122 V123 H124 V132 R133 F135	Y122-Y126 HydrophobicContact CD1-CE2 4.28Å; Y122-Y126 HydrophobicContact CE1-CD2 4.33Å; Y122-Y126 AromaticContact CE1-CE2 3.64Å; Y122-Y126 HydrophobicContact CE1-CE2 3.64Å; Y122-Y126 HydrophobicContact CE2-CE2 4.34Å; Y122-Y126 AromaticContact CZ-CE2 3.68Å; Y122-Y126 WeakPolarHBondContact O-CD2 3.45Å; Y122-Y126 PolarHBondContact OH-OH 3.08Å; Y122-Y126 VanDerWaalsContact OH-OH 3.1Å; V123-Y126 WeakPolarHBondContact O-CB 3.48Å; V123-Y126 PolarHBondContact O-N 3.42Å; V123-Y126 VanDerWaalsContact O-N 3.09Å; H124-Y126 PolarHBondContact O-N 3.04Å; H124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-V132 HydrophobicContact CD1-CB 3.84Å; Y126-V132 HydrophobicContact CD1-CG1 4.34Å; Y126-V132 HydrophobicContact CD1-CG2 3.95Å; Y126-V132 HydrophobicContact CE1-CB 4.19Å; Y126-V132 HydrophobicContact CE1-CG1 4.2Å; Y126-V132 HydrophobicContact CG-CG2 4.26Å; Y126-R133 CarbonylContact O-C 3.5Å; Y126-F135 HydrophobicContact CD1-CD2 4.48Å; Y126-F135 AromaticContact CD1-CE2 3.78Å; Y126-F135 HydrophobicContact CD1-CE2 3.78Å; Y126-F135 AromaticContact CD1-CZ 3.95Å; Y126-F135 HydrophobicContact CD1-CZ 3.95Å; Y126-F135 HydrophobicContact CD2-CD2 4.44Å; Y126-F135 AromaticContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CE2 3.47Å; Y126-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CZ 4.05Å; Y126-F135 HydrophobicContact CE1-CE2 4.15Å; Y126-F135 AromaticContact CE1-CZ 3.89Å; Y126-F135 HydrophobicContact CE1-CZ 3.89Å; Y126-F135 AromaticContact CE2-CE2 3.86Å; Y126-F135 HydrophobicContact CE2-CE2 3.86Å; Y126-F135 AromaticContact CE2-CZ 3.98Å; Y126-F135 HydrophobicContact CE2-CZ 3.98Å; Y126-F135 HydrophobicContact CG-CD2 4.09Å; Y126-F135 AromaticContact CG-CE2 3.42Å; Y126-F135 HydrophobicContact CG-CE2 3.42Å; Y126-F135 VanDerWaalsContact CG-CE2 3.42Å; Y126-F135 HydrophobicContact CG-CZ 4.03Å; Y126-F135 AromaticContact CZ-CZ 3.9Å
127	T	98.4	Very high	98.2	Very high	12 Å²	12	57.2 Å²	57.2	7%	0.074	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.7	177.8	77.9	0	0	0	0	113.4	V27 H124 A125 P134 P157	V27-T127 HydrophobicContact CG2-CG2 3.85Å; H124-T127 PolarHBondContact O-N 3.49Å; H124-T127 PolarHBondContact O-OG1 3.05Å; A125-T127 PolarHBondContact O-N 3.48Å; T127-P134 HydrophobicContact CG2-CB 4.25Å; T127-P134 HydrophobicContact CG2-CG 4.32Å; T127-P157 WeakPolarHBondContact CG2-O 3.46Å
128	L	97.1	Very high	98.2	Very high	80 Å²	80	54.9 Å²	54.9	42%	0.419	28%	0.28	S	S	.	.	S	Bend	trans	-108.3	-23.4	-170.1	-59.3	178.6	0	0	0	114.3	S16	S16-L128 WeakPolarHBondContact CB-O 3.41Å
129	Y	96.3	Very high	98.2	Very high	143 Å²	143	49.8 Å²	49.8	56%	0.561	26%	0.261	S	S	*	.			trans	-120.3	145	-168	-53.4	-73.9	0	0	0	111.9	A125 A131	A125-Y129 WeakPolarHBondContact O-CD2 3.31Å; Y129-A131 PolarHBondContact O-N 3.34Å
130	S	96.3	Very high	98.2	Very high	91 Å²	91	49.7 Å²	49.7	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.7	174.8	56.7	0	0	0	0	113.9	S14 V132	S14-S130 WeakPolarHBondContact OG-CA 3.38Å; S14-S130 VanDerWaalsContact OG-CB 3.23Å; S14-S130 WeakPolarHBondContact OG-CB 3.4Å; S130-V132 VanDerWaalsContact C-N 3.32Å
131	A	97.4	Very high	98.2	Very high	95 Å²	95	49.6 Å²	49.6	79%	0.785	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.6	-178.7	0	0	0	0	0	113.5	Y129	Y129-A131 PolarHBondContact O-N 3.34Å
132	V	97.9	Very high	98.2	Very high	58 Å²	58	43.6 Å²	43.6	35%	0.352	23%	0.23	S	C	.	.	S	Bend	trans	-131	162.2	-179.6	-63.4	0	0	0	0	109.7	Y126 S130	Y126-V132 HydrophobicContact CD1-CB 3.84Å; Y126-V132 HydrophobicContact CD1-CG1 4.34Å; Y126-V132 HydrophobicContact CD1-CG2 3.95Å; Y126-V132 HydrophobicContact CE1-CB 4.19Å; Y126-V132 HydrophobicContact CE1-CG1 4.2Å; Y126-V132 HydrophobicContact CG-CG2 4.26Å; S130-V132 VanDerWaalsContact C-N 3.32Å
133	R	98.2	Very high	98.2	Very high	123 Å²	123	39.6 Å²	39.6	46%	0.464	22%	0.215	S	C	.	.			trans	-108	151.8	172.4	63.7	167.6	-175.9	75.8	0.5	110.5	D87 Y126	D87-R133 IonicContact OD1-CZ 2.75Å; D87-R133 IonicContact OD1-NH1 2.61Å; D87-R133 IonicContact OD1-NH2 2.88Å; D87-R133 PolarHBondContact OD1-NH2 2.84Å; D87-R133 IonicContact OD2-CZ 3.17Å; D87-R133 IonicContact OD2-NH1 3.71Å; D87-R133 PolarHBondContact OD2-NH1 2.65Å; D87-R133 IonicContact OD2-NH2 3.76Å; D87-R133 PolarHBondContact OD2-NH2 2.95Å; Y126-R133 CarbonylContact O-C 3.5Å
134	P	98.6	Very high	98.2	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	22%	0.22	C	C	.	.			trans	-55.5	151.8	168.1	-25.3	35.1	0	0	0	112.2	A15 Q26 V27 A30 T127 G136	A15-P134 HydrophobicContact CB-CG 4.34Å; Q26-P134 HydrophobicContact CB-CG 4.19Å; V27-P134 HydrophobicContact CG2-CG 3.98Å; A30-P134 HydrophobicContact CB-CB 4Å; T127-P134 HydrophobicContact CG2-CB 4.25Å; T127-P134 HydrophobicContact CG2-CG 4.32Å; P134-G136 PolarHBondContact O-N 3.49Å
135	F	98.8	Very high	98	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.057	21%	0.211	C	C	.	.			trans	-68.6	129.3	173.5	-71.1	-80.6	0	0	0	110.4	D87 L91 Y122 V123 Y126 C137 P157	D87-F135 HydrophobicContact CB-CD1 4.02Å; L91-F135 HydrophobicContact CD1-CB 4.12Å; L91-F135 HydrophobicContact CD1-CD1 4.11Å; L91-F135 HydrophobicContact CD1-CD2 4.46Å; L91-F135 HydrophobicContact CD1-CG 3.98Å; L91-F135 HydrophobicContact CD2-CD1 4.06Å; L91-F135 HydrophobicContact CD2-CD2 4.03Å; L91-F135 HydrophobicContact CD2-CE1 3.88Å; L91-F135 HydrophobicContact CD2-CE2 3.84Å; L91-F135 HydrophobicContact CD2-CG 4.14Å; L91-F135 HydrophobicContact CD2-CZ 3.79Å; L91-F135 HydrophobicContact CG-CD1 3.93Å; L91-F135 HydrophobicContact CG-CE1 4.09Å; L91-F135 HydrophobicContact CG-CG 4.21Å; L91-F135 HydrophobicContact CG-CZ 4.49Å; Y122-F135 HydrophobicContact CD1-CE2 4.18Å; Y122-F135 HydrophobicContact CD1-CZ 4.38Å; Y122-F135 AromaticContact CE1-CE2 3.99Å; Y122-F135 HydrophobicContact CE1-CE2 3.99Å; Y122-F135 AromaticContact CE1-CZ 3.78Å; Y122-F135 HydrophobicContact CE1-CZ 3.78Å; V123-F135 HydrophobicContact CB-CD2 4.39Å; V123-F135 HydrophobicContact CG1-CD2 4.23Å; V123-F135 HydrophobicContact CG2-CD2 4.19Å; Y126-F135 HydrophobicContact CD1-CD2 4.48Å; Y126-F135 AromaticContact CD1-CE2 3.78Å; Y126-F135 HydrophobicContact CD1-CE2 3.78Å; Y126-F135 AromaticContact CD1-CZ 3.95Å; Y126-F135 HydrophobicContact CD1-CZ 3.95Å; Y126-F135 HydrophobicContact CD2-CD2 4.44Å; Y126-F135 AromaticContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CE2 3.47Å; Y126-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CZ 4.05Å; Y126-F135 HydrophobicContact CE1-CE2 4.15Å; Y126-F135 AromaticContact CE1-CZ 3.89Å; Y126-F135 HydrophobicContact CE1-CZ 3.89Å; Y126-F135 AromaticContact CE2-CE2 3.86Å; Y126-F135 HydrophobicContact CE2-CE2 3.86Å; Y126-F135 AromaticContact CE2-CZ 3.98Å; Y126-F135 HydrophobicContact CE2-CZ 3.98Å; Y126-F135 HydrophobicContact CG-CD2 4.09Å; Y126-F135 AromaticContact CG-CE2 3.42Å; Y126-F135 HydrophobicContact CG-CE2 3.42Å; Y126-F135 VanDerWaalsContact CG-CE2 3.42Å; Y126-F135 HydrophobicContact CG-CZ 4.03Å; Y126-F135 AromaticContact CZ-CZ 3.9Å; F135-C137 PolarHBondContact O-N 2.8Å; F135-C137 VanDerWaalsContact O-N 3.1Å; F135-P157 VanDerWaalsContact O-CB 3.27Å; F135-P157 WeakPolarHBondContact O-CB 3.32Å; F135-P157 WeakPolarHBondContact O-CG 3.18Å
136	G	98.4	Very high	97.6	Very high	5 Å²	5	45 Å²	45	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	-83.5	32.5	-179.8	0	0	0	0	0	113.6	G83 L84 D87 P134	G83-G136 CarbonylContact C-O 3.46Å; G83-G136 WeakPolarHBondContact CA-O 3.45Å; L84-G136 PolarHBondContact N-O 3.17Å; D87-G136 PolarHBondContact OD2-N 3.21Å; P134-G136 PolarHBondContact O-N 3.49Å
137	C	98.4	Very high	97.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.5	-177.6	66.7	0	0	0	0	112.5	A82 A88 L91 F135	A82-C137 CarbonylContact O-C 3.58Å; A82-C137 WeakPolarHBondContact O-CA 3.37Å; A82-C137 VanDerWaalsContact O-CB 3.32Å; A82-C137 WeakPolarHBondContact O-CB 3.38Å; A88-C137 HydrophobicContact CB-CB 4.11Å; L91-C137 WeakPolarHBondContact CD1-SG 3.41Å; F135-C137 PolarHBondContact O-N 2.8Å; F135-C137 VanDerWaalsContact O-N 3.1Å
138	S	98.8	Very high	96.9	Very high	8 Å²	8	52.8 Å²	52.8	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	155.6	163.8	-68.1	0	0	0	0	108.8	A82 V155 P157 I169	A82-S138 PolarHBondContact N-O 2.76Å; A82-S138 PolarHBondContact O-N 3.39Å; A82-S138 VanDerWaalsContact O-O 3.13Å; S138-V155 VanDerWaalsContact CA-O 3.31Å; S138-V155 WeakPolarHBondContact CA-O 3.39Å; S138-V155 WeakPolarHBondContact CB-O 3.29Å; S138-P157 WeakPolarHBondContact OG-CD 3.49Å; S138-I169 WeakPolarHBondContact O-CD1 3.33Å
139	F	98.9	Very high	96.9	Very high	1 Å²	1	50 Å²	50	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.4	177	59.3	-88.3	0	0	0	111.9	M79 A80 V81 L91 V119 V123 L141 M154 V155	M79-F139 HydrophobicContact CE-CB 3.56Å; M79-F139 HydrophobicContact CE-CD1 3.96Å; M79-F139 HydrophobicContact CE-CD2 3.83Å; M79-F139 HydrophobicContact CE-CG 3.52Å; M79-F139 HydrophobicContact CG-CB 4.03Å; M79-F139 HydrophobicContact CG-CD2 4.24Å; M79-F139 HydrophobicContact CG-CG 4.46Å; M79-F139 HydrophobicContact SD-CB 4.44Å; M79-F139 HydrophobicContact SD-CD2 4.14Å; M79-F139 HydrophobicContact SD-CG 4.39Å; A80-F139 CarbonylContact O-C 3.52Å; A80-F139 VanDerWaalsContact O-CA 3.24Å; A80-F139 WeakPolarHBondContact O-CA 3.37Å; V81-F139 HydrophobicContact CB-CB 4.43Å; V81-F139 HydrophobicContact CG1-CB 3.92Å; L91-F139 HydrophobicContact CD1-CD1 4Å; L91-F139 HydrophobicContact CD1-CE1 3.72Å; V119-F139 HydrophobicContact CB-CZ 4.28Å; V119-F139 HydrophobicContact CG1-CE1 4.32Å; V119-F139 HydrophobicContact CG1-CE2 4.09Å; V119-F139 HydrophobicContact CG1-CZ 3.48Å; V119-F139 VanDerWaalsContact CG1-CZ 3.48Å; V123-F139 HydrophobicContact CG2-CE1 4.17Å; F139-L141 HydrophobicContact CD2-CD1 4.43Å; F139-L141 HydrophobicContact CD2-CD2 4.13Å; F139-L141 HydrophobicContact CD2-CG 3.88Å; F139-L141 HydrophobicContact CE2-CD1 3.93Å; F139-L141 HydrophobicContact CE2-CD2 4.32Å; F139-L141 HydrophobicContact CE2-CG 3.9Å; F139-M154 WeakPolarHBondContact O-CA 3.33Å; F139-V155 HydrophobicContact CD1-CB 4.32Å; F139-V155 HydrophobicContact CD2-CB 4.32Å; F139-V155 HydrophobicContact CD2-CG2 4.49Å; F139-V155 HydrophobicContact CE1-CB 3.71Å; F139-V155 HydrophobicContact CE1-CG1 3.87Å; F139-V155 HydrophobicContact CE1-CG2 4.49Å; F139-V155 HydrophobicContact CE2-CB 3.73Å; F139-V155 HydrophobicContact CE2-CG2 3.68Å; F139-V155 HydrophobicContact CZ-CB 3.38Å; F139-V155 HydrophobicContact CZ-CG1 3.7Å; F139-V155 HydrophobicContact CZ-CG2 3.67Å; F139-V155 PolarHBondContact N-O 2.9Å; F139-V155 PolarHBondContact O-N 3.3Å
140	I	98.9	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.8	178.2	-47.8	173.9	0	0	0	107.1	F51 M79 A80 L152 Y153 M154 C167 I169	F51-I140 HydrophobicContact CE1-CB 4Å; F51-I140 HydrophobicContact CE1-CG2 3.73Å; M79-I140 CarbonylContact C-O 3.52Å; M79-I140 VanDerWaalsContact CA-O 3.25Å; M79-I140 WeakPolarHBondContact CA-O 3.48Å; A80-I140 PolarHBondContact N-O 3.29Å; A80-I140 PolarHBondContact O-N 2.98Å; I140-L152 HydrophobicContact CG2-CD1 3.44Å; I140-L152 VanDerWaalsContact CG2-CD1 3.44Å; I140-L152 HydrophobicContact CG2-CD2 4.5Å; I140-L152 HydrophobicContact CG2-CG 3.91Å; I140-Y153 CarbonylContact C-O 3.58Å; I140-Y153 VanDerWaalsContact CA-O 3.27Å; I140-Y153 WeakPolarHBondContact CA-O 3.41Å; I140-Y153 WeakPolarHBondContact CG2-O 3.27Å; I140-M154 HydrophobicContact CG1-CB 4.35Å; I140-M154 HydrophobicContact CG1-CG 4.04Å; I140-C167 HydrophobicContact CD1-CB 4.26Å; I140-I169 HydrophobicContact CD1-CD1 4.28Å; I140-I169 HydrophobicContact CD1-CG1 4.12Å; I140-I169 HydrophobicContact CG1-CD1 3.96Å; I140-I169 HydrophobicContact CG1-CG1 4.31Å
141	L	98.9	Very high	97.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.9	173.9	-65.7	176	0	0	0	109.8	I73 V77 G78 M79 L112 L115 F139 L152 Y153	I73-L141 HydrophobicContact CG1-CD2 4.34Å; V77-L141 HydrophobicContact CG1-CD2 4.31Å; G78-L141 WeakPolarHBondContact O-CA 3.47Å; M79-L141 HydrophobicContact CB-CD2 3.75Å; M79-L141 HydrophobicContact CG-CD2 3.86Å; M79-L141 HydrophobicContact SD-CD2 4.08Å; L112-L141 HydrophobicContact CD1-CB 3.84Å; L115-L141 HydrophobicContact CG-CD1 4.41Å; F139-L141 HydrophobicContact CD2-CD1 4.43Å; F139-L141 HydrophobicContact CD2-CD2 4.13Å; F139-L141 HydrophobicContact CD2-CG 3.88Å; F139-L141 HydrophobicContact CE2-CD1 3.93Å; F139-L141 HydrophobicContact CE2-CD2 4.32Å; F139-L141 HydrophobicContact CE2-CG 3.9Å; L141-L152 CarbonylContact O-C 3.59Å; L141-L152 WeakPolarHBondContact O-CA 3.48Å; L141-Y153 PolarHBondContact N-O 2.77Å; L141-Y153 PolarHBondContact O-N 3.36Å
142	G	98.8	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.3	-179.6	0	0	0	0	0	110.9	V77 G78 Q151	V77-G142 WeakPolarHBondContact CA-O 3.39Å; G78-G142 PolarHBondContact N-O 3.37Å; G78-G142 PolarHBondContact O-N 2.92Å; G142-Q151 WeakPolarHBondContact CA-O 3.3Å
143	S	98.7	Very high	97.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.2	-178.1	-169.7	0	0	0	0	110.3	I49 H76 Q151	I49-S143 WeakPolarHBondContact CD1-O 3.32Å; H76-S143 PolarHBondContact CD2-OG 3.41Å; H76-S143 VanDerWaalsContact CD2-OG 3.25Å; H76-S143 VanDerWaalsContact O-CA 3.32Å; H76-S143 WeakPolarHBondContact O-CA 3.32Å; H76-S143 VanDerWaalsContact O-CB 3.27Å; H76-S143 WeakPolarHBondContact O-CB 3.07Å; H76-S143 PolarHBondContact O-OG 2.98Å; S143-Q151 PolarHBondContact N-O 3Å; S143-Q151 PolarHBondContact O-N 2.69Å
144	Y	98.4	Very high	97.2	Very high	27 Å²	27	30.1 Å²	30.1	11%	0.106	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.3	173.9	173.1	-87.1	0	0	0	108.9	D47 A150 G221 E222 G226	D47-Y144 WeakPolarHBondContact O-CE2 3.39Å; Y144-A150 HydrophobicContact CD2-CB 3.99Å; Y144-G221 VanDerWaalsContact CD1-C 3.42Å; Y144-E222 HydrophobicContact CE1-CB 4.25Å; Y144-G226 WeakPolarHBondContact O-CA 3.33Å
145	D	93.4	Very high	97.2	Very high	41 Å²	41	30 Å²	30	22%	0.219	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	169.4	163.6	67.5	74.3	0	0	0	109.7	D147 D148 G149	D145-D147 VanDerWaalsContact C-N 3.32Å; D145-D147 WeakPolarHBondContact OD1-CA 3.39Å; D145-D147 PolarHBondContact OD1-N 2.85Å; D145-D148 WeakPolarHBondContact OD1-CB 3.16Å; D145-D148 PolarHBondContact OD1-N 3.33Å; D145-D148 WeakPolarHBondContact OD2-CB 3.46Å; D145-G149 WeakPolarHBondContact O-CA 3.41Å; D145-G149 PolarHBondContact O-N 3.46Å
146	K	90.8	Very high	97.2	Very high	175 Å²	175	30.7 Å²	30.7	76%	0.761	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.4	-174.4	-68.2	-174.3	177.6	-176.7	0	113.3
147	D	91.8	Very high	97.2	Very high	157 Å²	157	30.5 Å²	30.5	84%	0.84	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-45.6	-172.5	-62.1	-41.2	0	0	0	110.6	D145	D145-D147 VanDerWaalsContact C-N 3.32Å; D145-D147 WeakPolarHBondContact OD1-CA 3.39Å; D145-D147 PolarHBondContact OD1-N 2.85Å
148	D	90.9	Very high	97.2	Very high	84 Å²	84	31.4 Å²	31.4	45%	0.449	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-14.9	-179.2	-71.8	-29.6	0	0	0	113.4	D145	D145-D148 WeakPolarHBondContact OD1-CB 3.16Å; D145-D148 PolarHBondContact OD1-N 3.33Å; D145-D148 WeakPolarHBondContact OD2-CB 3.46Å
149	G	96.1	Very high	97.2	Very high	22 Å²	22	31.7 Å²	31.7	23%	0.227	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	-164	-178.5	0	0	0	0	0	113.7	D145 Q151	D145-G149 WeakPolarHBondContact O-CA 3.41Å; D145-G149 PolarHBondContact O-N 3.46Å; G149-Q151 PolarHBondContact O-N 2.98Å
150	A	98.2	Very high	97.2	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130	175.8	0	0	0	0	0	110.9	R44 G48 I49 Y144	R44-A150 HydrophobicContact CG-CB 3.79Å; R44-A150 PolarHBondContact NE-O 3.41Å; R44-A150 PolarHBondContact NH1-O 3.33Å; R44-A150 PolarHBondContact NH2-O 2.91Å; G48-A150 WeakPolarHBondContact O-CB 3.44Å; I49-A150 HydrophobicContact CD1-CB 3.69Å; I49-A150 HydrophobicContact CG1-CB 4.35Å; Y144-A150 HydrophobicContact CD2-CB 3.99Å
151	Q	98.6	Very high	97.1	Very high	35 Å²	35	36.4 Å²	36.4	16%	0.164	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.1	175	-61.1	-173.1	-11	0	0	110.5	I49 L112 G142 S143 G149 Y153	I49-Q151 WeakPolarHBondContact CD1-O 3.11Å; L112-Q151 HydrophobicContact CB-CB 4.28Å; L112-Q151 HydrophobicContact CD2-CB 3.55Å; L112-Q151 WeakPolarHBondContact CD2-O 3.37Å; G142-Q151 WeakPolarHBondContact CA-O 3.3Å; S143-Q151 PolarHBondContact N-O 3Å; S143-Q151 PolarHBondContact O-N 2.69Å; G149-Q151 PolarHBondContact O-N 2.98Å; Q151-Y153 HydrophobicContact CB-CE2 4.36Å
152	L	98.8	Very high	97.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	123.3	-179.7	-174.8	77.3	0	0	0	108.9	G42 R44 I49 F51 I140 L141 G163 Y164 C167	G42-L152 VanDerWaalsContact O-CD2 3.31Å; G42-L152 WeakPolarHBondContact O-CD2 3.09Å; R44-L152 HydrophobicContact CB-CB 4.34Å; I49-L152 HydrophobicContact CG2-CD1 3.7Å; F51-L152 HydrophobicContact CE1-CD1 3.78Å; F51-L152 HydrophobicContact CZ-CD1 4.1Å; I140-L152 HydrophobicContact CG2-CD1 3.44Å; I140-L152 VanDerWaalsContact CG2-CD1 3.44Å; I140-L152 HydrophobicContact CG2-CD2 4.5Å; I140-L152 HydrophobicContact CG2-CG 3.91Å; L141-L152 CarbonylContact O-C 3.59Å; L141-L152 WeakPolarHBondContact O-CA 3.48Å; L152-G163 CarbonylContact O-C 3.54Å; L152-G163 VanDerWaalsContact O-CA 3.3Å; L152-G163 WeakPolarHBondContact O-CA 3.24Å; L152-Y164 PolarHBondContact O-N 2.85Å; L152-C167 HydrophobicContact CD2-CB 4.49Å
153	Y	98.9	Very high	97.1	Very high	40 Å²	40	45.5 Å²	45.5	16%	0.157	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.6	178.3	-77.5	-97.1	0	0	0	110.5	L112 K113 S116 I140 L141 Q151 Y162	L112-Y153 HydrophobicContact CD2-CD2 3.89Å; L112-Y153 HydrophobicContact CG-CD2 4.13Å; K113-Y153 HydrophobicContact CB-CE2 4.17Å; K113-Y153 HydrophobicContact CG-CE1 4.39Å; K113-Y153 WeakPolarHBondContact CG-OH 3.38Å; S116-Y153 WeakPolarHBondContact OG-CB 3.44Å; I140-Y153 CarbonylContact C-O 3.58Å; I140-Y153 VanDerWaalsContact CA-O 3.27Å; I140-Y153 WeakPolarHBondContact CA-O 3.41Å; I140-Y153 WeakPolarHBondContact CG2-O 3.27Å; L141-Y153 PolarHBondContact N-O 2.77Å; L141-Y153 PolarHBondContact O-N 3.36Å; Q151-Y153 HydrophobicContact CB-CE2 4.36Å; Y153-Y162 VanDerWaalsContact CA-O 3.27Å; Y153-Y162 WeakPolarHBondContact CA-O 3.31Å; Y153-Y162 WeakPolarHBondContact CD1-O 3.31Å
154	M	98.8	Very high	97.1	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.054	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.2	171.8	-176.9	-80.3	-60.7	0	0	109.7	F139 I140 D156 S161 Y162 Y164 I169	F139-M154 WeakPolarHBondContact O-CA 3.33Å; I140-M154 HydrophobicContact CG1-CB 4.35Å; I140-M154 HydrophobicContact CG1-CG 4.04Å; M154-D156 HydrophobicContact SD-CB 4.2Å; M154-S161 WeakPolarHBondContact O-CA 3.42Å; M154-Y162 PolarHBondContact N-O 2.79Å; M154-Y162 PolarHBondContact O-N 3.32Å; M154-Y164 HydrophobicContact CB-CD2 3.88Å; M154-Y164 HydrophobicContact CB-CE2 3.66Å; M154-Y164 HydrophobicContact CE-CE2 4.05Å; M154-I169 HydrophobicContact CG-CG2 3.95Å; M154-I169 HydrophobicContact SD-CG2 4.23Å
155	V	98.8	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.3	176.7	-175.2	0	0	0	0	109.7	A120 S138 F139 I160	A120-V155 HydrophobicContact CB-CG1 3.86Å; A120-V155 HydrophobicContact CB-CG2 4.12Å; S138-V155 VanDerWaalsContact CA-O 3.31Å; S138-V155 WeakPolarHBondContact CA-O 3.39Å; S138-V155 WeakPolarHBondContact CB-O 3.29Å; F139-V155 HydrophobicContact CD1-CB 4.32Å; F139-V155 HydrophobicContact CD2-CB 4.32Å; F139-V155 HydrophobicContact CD2-CG2 4.49Å; F139-V155 HydrophobicContact CE1-CB 3.71Å; F139-V155 HydrophobicContact CE1-CG1 3.87Å; F139-V155 HydrophobicContact CE1-CG2 4.49Å; F139-V155 HydrophobicContact CE2-CB 3.73Å; F139-V155 HydrophobicContact CE2-CG2 3.68Å; F139-V155 HydrophobicContact CZ-CB 3.38Å; F139-V155 HydrophobicContact CZ-CG1 3.7Å; F139-V155 HydrophobicContact CZ-CG2 3.67Å; F139-V155 PolarHBondContact N-O 2.9Å; F139-V155 PolarHBondContact O-N 3.3Å; V155-I160 VanDerWaalsContact CA-O 3.29Å; V155-I160 WeakPolarHBondContact CA-O 3.27Å
156	D	98.4	Very high	97.3	Very high	29 Å²	29	51.1 Å²	51.1	16%	0.155	27%	0.266	C	S	.	.			trans	-107.8	171.5	178	78.4	19.6	0	0	0	112.7	M31 M154 S158 G159 I160	M31-D156 HydrophobicContact CE-CB 4.47Å; M31-D156 WeakPolarHBondContact CE-OD2 3.27Å; M154-D156 HydrophobicContact SD-CB 4.2Å; D156-S158 PolarHBondContact O-N 2.91Å; D156-S158 WeakPolarHBondContact OD1-CA 3.39Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.32Å; D156-S158 PolarHBondContact OD1-N 2.84Å; D156-S158 PolarHBondContact OD1-OG 3.29Å; D156-G159 PolarHBondContact O-N 2.93Å; D156-I160 PolarHBondContact N-O 3.17Å
157	P	98.7	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.6	179.5	-34	39.6	0	0	0	116.8	A30 M31 V34 T127 F135 S138 G159	A30-P157 HydrophobicContact CB-CB 3.79Å; A30-P157 HydrophobicContact CB-CG 4.21Å; M31-P157 HydrophobicContact CG-CB 4.23Å; M31-P157 HydrophobicContact CG-CG 4.08Å; V34-P157 HydrophobicContact CG2-CG 3.87Å; T127-P157 WeakPolarHBondContact CG2-O 3.46Å; F135-P157 VanDerWaalsContact O-CB 3.27Å; F135-P157 WeakPolarHBondContact O-CB 3.32Å; F135-P157 WeakPolarHBondContact O-CG 3.18Å; S138-P157 WeakPolarHBondContact OG-CD 3.49Å; P157-G159 VanDerWaalsContact C-N 3.29Å
158	S	98.3	Very high	98	Very high	21 Å²	21	35.3 Å²	35.3	15%	0.147	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.3	176.7	74.2	0	0	0	0	113.1	H124 D156 I160	H124-S158 PolarHBondContact ND1-O 2.81Å; D156-S158 PolarHBondContact O-N 2.91Å; D156-S158 WeakPolarHBondContact OD1-CA 3.39Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.32Å; D156-S158 PolarHBondContact OD1-N 2.84Å; D156-S158 PolarHBondContact OD1-OG 3.29Å; S158-I160 VanDerWaalsContact OG-CD1 3.31Å; S158-I160 WeakPolarHBondContact OG-CD1 3.18Å; S158-I160 WeakPolarHBondContact OG-CG1 3.5Å; S158-I160 PolarHBondContact OG-N 3.48Å
159	G	98.1	Very high	98.3	Very high	14 Å²	14	31.5 Å²	31.5	14%	0.144	17%	0.17	C	C	.	.			trans	82.2	18	-171.8	0	0	0	0	0	113.3	A120 D156 P157	A120-G159 WeakPolarHBondContact CB-O 3.34Å; A120-G159 WeakPolarHBondContact O-CA 3.25Å; D156-G159 PolarHBondContact O-N 2.93Å; P157-G159 VanDerWaalsContact C-N 3.29Å
160	I	98.3	Very high	98.4	Very high	76 Å²	76	30.7 Å²	30.7	39%	0.39	16%	0.161	S	C	.	.			trans	-77.6	133	170.6	-72.7	171.2	0	0	0	109	V155 D156 S158 Y162	V155-I160 VanDerWaalsContact CA-O 3.29Å; V155-I160 WeakPolarHBondContact CA-O 3.27Å; D156-I160 PolarHBondContact N-O 3.17Å; S158-I160 VanDerWaalsContact OG-CD1 3.31Å; S158-I160 WeakPolarHBondContact OG-CD1 3.18Å; S158-I160 WeakPolarHBondContact OG-CG1 3.5Å; S158-I160 PolarHBondContact OG-N 3.48Å; I160-Y162 HydrophobicContact CG2-CD2 3.48Å; I160-Y162 VanDerWaalsContact CG2-CD2 3.48Å; I160-Y162 HydrophobicContact CG2-CE2 3.2Å
161	S	98.4	Very high	98.4	Very high	24 Å²	24	33.8 Å²	33.8	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.3	172.3	-179.5	0	0	0	0	111.4	S116 M154	S116-S161 PolarHBondContact OG-OG 3.12Å; M154-S161 WeakPolarHBondContact O-CA 3.42Å
162	Y	98.6	Very high	98.3	Very high	143 Å²	143	33 Å²	33	56%	0.561	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.2	172.1	-73.5	-64.1	0	0	0	111.9	Y153 M154 I160 Y164	Y153-Y162 VanDerWaalsContact CA-O 3.27Å; Y153-Y162 WeakPolarHBondContact CA-O 3.31Å; Y153-Y162 WeakPolarHBondContact CD1-O 3.31Å; M154-Y162 PolarHBondContact N-O 2.79Å; M154-Y162 PolarHBondContact O-N 3.32Å; I160-Y162 HydrophobicContact CG2-CD2 3.48Å; I160-Y162 VanDerWaalsContact CG2-CD2 3.48Å; I160-Y162 HydrophobicContact CG2-CE2 3.2Å; Y162-Y164 WeakPolarHBondContact O-CD2 3.49Å; Y162-Y164 VanDerWaalsContact O-CE2 3.25Å; Y162-Y164 WeakPolarHBondContact O-CE2 3.48Å
163	G	98.4	Very high	98.2	Very high	48 Å²	48	36.7 Å²	36.7	50%	0.495	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.7	171.6	0	0	0	0	0	112	L152	L152-G163 CarbonylContact O-C 3.54Å; L152-G163 VanDerWaalsContact O-CA 3.3Å; L152-G163 WeakPolarHBondContact O-CA 3.24Å
164	Y	98.6	Very high	98.2	Very high	62 Å²	62	41 Å²	41	24%	0.243	21%	0.211	C	C	.	.			trans	-132	154.1	-174.6	-71.8	-89.4	0	0	0	112.7	L152 M154 Y162 C167	L152-Y164 PolarHBondContact O-N 2.85Å; M154-Y164 HydrophobicContact CB-CD2 3.88Å; M154-Y164 HydrophobicContact CB-CE2 3.66Å; M154-Y164 HydrophobicContact CE-CE2 4.05Å; Y162-Y164 WeakPolarHBondContact O-CD2 3.49Å; Y162-Y164 VanDerWaalsContact O-CE2 3.25Å; Y162-Y164 WeakPolarHBondContact O-CE2 3.48Å; Y164-C167 HydrophobicContact CD1-CB 4.05Å; Y164-C167 HydrophobicContact CD2-CB 4.22Å; Y164-C167 HydrophobicContact CG-CB 3.82Å
165	W	98.4	Very high	98.1	Very high	109 Å²	109	43 Å²	43	41%	0.413	23%	0.229	S	C	.	.	S	Bend	trans	-86.9	-41.4	160.2	-75.1	101.8	0	0	0	111	R44 M185 K186	R44-W165 HydrophobicContact CB-CE3 4.4Å; R44-W165 WeakPolarHBondContact CB-O 3.06Å; R44-W165 HydrophobicContact CG-CE3 4.06Å; R44-W165 HydrophobicContact CG-CZ3 4.12Å; R44-W165 PolarHBondContact N-O 3.44Å; W165-M185 HydrophobicContact CB-SD 3.72Å; W165-K186 HydrophobicContact CD2-CG 4.44Å; W165-K186 VanDerWaalsContact CE2-CE 3.48Å; W165-K186 HydrophobicContact CE3-CG 3.95Å; W165-K186 HydrophobicContact CH2-CD 4.24Å; W165-K186 HydrophobicContact CH2-CG 4.08Å; W165-K186 HydrophobicContact CZ2-CD 4.33Å; W165-K186 HydrophobicContact CZ3-CD 4.39Å; W165-K186 HydrophobicContact CZ3-CG 3.76Å
166	G	98.3	Very high	98.1	Very high	18 Å²	18	43 Å²	43	19%	0.186	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.8	168.7	0	0	0	0	0	109.8	G42	G42-G166 CarbonylContact O-C 3.54Å; G42-G166 WeakPolarHBondContact O-CA 3.42Å
167	C	97.3	Very high	98.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.7	-178	-163.6	0	0	0	0	110.8	I41 G42 I140 L152 Y164	I41-C167 CarbonylContact C-O 3.55Å; I41-C167 VanDerWaalsContact CA-O 3.27Å; I41-C167 WeakPolarHBondContact CA-O 3.38Å; G42-C167 PolarHBondContact N-O 2.97Å; G42-C167 PolarHBondContact O-N 3.23Å; I140-C167 HydrophobicContact CD1-CB 4.26Å; L152-C167 HydrophobicContact CD2-CB 4.49Å; Y164-C167 HydrophobicContact CD1-CB 4.05Å; Y164-C167 HydrophobicContact CD2-CB 4.22Å; Y164-C167 HydrophobicContact CG-CB 3.82Å
168	A	98.6	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.9	174.8	0	0	0	0	0	109.9	A40 I41 K173 A176 K177 I180	A40-A168 WeakPolarHBondContact O-CA 3.47Å; I41-A168 HydrophobicContact CG2-CB 3.76Å; A168-K173 HydrophobicContact CB-CG 4.36Å; A168-K173 VanDerWaalsContact O-CD 3.29Å; A168-K173 WeakPolarHBondContact O-CD 3.45Å; A168-K173 VanDerWaalsContact O-CG 3.25Å; A168-K173 WeakPolarHBondContact O-CG 3.39Å; A168-A176 HydrophobicContact CB-CB 3.74Å; A168-K177 HydrophobicContact CB-CG 4.27Å; A168-I180 HydrophobicContact CB-CD1 4.39Å
169	I	98.6	Very high	98.1	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.9	175.6	56.9	174	0	0	0	109.4	T39 A40 A82 S138 I140 M154	T39-I169 WeakPolarHBondContact CA-O 3.42Å; A40-I169 HydrophobicContact CB-CD1 4.38Å; A40-I169 HydrophobicContact CB-CG1 3.94Å; A40-I169 PolarHBondContact N-O 3.42Å; A40-I169 PolarHBondContact O-N 2.96Å; A82-I169 HydrophobicContact CB-CB 4.11Å; A82-I169 HydrophobicContact CB-CD1 3.58Å; A82-I169 HydrophobicContact CB-CG1 3.62Å; S138-I169 WeakPolarHBondContact O-CD1 3.33Å; I140-I169 HydrophobicContact CD1-CD1 4.28Å; I140-I169 HydrophobicContact CD1-CG1 4.12Å; I140-I169 HydrophobicContact CG1-CD1 3.96Å; I140-I169 HydrophobicContact CG1-CG1 4.31Å; M154-I169 HydrophobicContact CG-CG2 3.95Å; M154-I169 HydrophobicContact SD-CG2 4.23Å
170	G	98.1	Very high	98.1	Very high	4 Å²	4	47.7 Å²	47.7	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	102.3	-171.5	-174.6	0	0	0	0	0	114	V34 S37 A172 K173	V34-G170 WeakPolarHBondContact O-CA 3.29Å; S37-G170 CarbonylContact O-C 3.53Å; S37-G170 VanDerWaalsContact O-CA 3.32Å; S37-G170 WeakPolarHBondContact O-CA 3.35Å; G170-A172 PolarHBondContact O-N 3.11Å; G170-K173 VanDerWaalsContact O-CB 3.32Å; G170-K173 WeakPolarHBondContact O-CB 3.49Å; G170-K173 PolarHBondContact O-N 3.03Å
171	K	97.1	Very high	98	Very high	70 Å²	70	51.2 Å²	51.2	30%	0.304	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-39.7	-170.3	66.5	-177.2	177.3	176.4	0	114.9	E35 S37 E54 D210	E35-K171 WeakPolarHBondContact O-CA 3.4Å; E35-K171 VanDerWaalsContact O-CB 3.27Å; E35-K171 WeakPolarHBondContact O-CB 3.34Å; E35-K171 PolarHBondContact O-N 3.37Å; S37-K171 PolarHBondContact O-N 3.42Å; E54-K171 WeakPolarHBondContact OE1-CE 2.99Å; E54-K171 IonicContact OE1-NZ 3.39Å; E54-K171 PolarHBondContact OE1-NZ 3.33Å; E54-K171 WeakPolarHBondContact OE2-CE 3.42Å; E54-K171 IonicContact OE2-NZ 2.7Å; E54-K171 PolarHBondContact OE2-NZ 3.12Å; K171-D210 IonicContact NZ-OD1 2.74Å; K171-D210 PolarHBondContact NZ-OD1 2.93Å; K171-D210 IonicContact NZ-OD2 3.46Å; K171-D210 PolarHBondContact NZ-OD2 3.26Å
172	A	97.1	Very high	98	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	25.2	-176.5	0	0	0	0	0	112.4	T39 G170 Q174 A175 A176 V204	T39-A172 HydrophobicContact CG2-CB 4.46Å; T39-A172 VanDerWaalsContact OG1-CB 3.29Å; T39-A172 WeakPolarHBondContact OG1-CB 3.31Å; T39-A172 PolarHBondContact OG1-N 3.41Å; T39-A172 VanDerWaalsContact OG1-N 3.16Å; G170-A172 PolarHBondContact O-N 3.11Å; A172-Q174 PolarHBondContact O-N 2.94Å; A172-Q174 VanDerWaalsContact O-N 3.14Å; A172-A175 PolarHBondContact O-N 2.98Å; A172-A176 WeakPolarHBondContact O-CB 3.24Å; A172-A176 PolarHBondContact O-N 2.88Å; A172-V204 HydrophobicContact CB-CB 3.81Å; A172-V204 HydrophobicContact CB-CG2 4.19Å
173	K	96.9	Very high	97.9	Very high	80 Å²	80	51.1 Å²	51.1	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-49.1	-43	-178	166.2	175	179.2	-173.1	0	113.4	A168 G170 K177	A168-K173 HydrophobicContact CB-CG 4.36Å; A168-K173 VanDerWaalsContact O-CD 3.29Å; A168-K173 WeakPolarHBondContact O-CD 3.45Å; A168-K173 VanDerWaalsContact O-CG 3.25Å; A168-K173 WeakPolarHBondContact O-CG 3.39Å; G170-K173 VanDerWaalsContact O-CB 3.32Å; G170-K173 WeakPolarHBondContact O-CB 3.49Å; G170-K173 PolarHBondContact O-N 3.03Å; K173-K177 HydrophobicContact CG-CD 4.33Å; K173-K177 WeakPolarHBondContact O-CB 3.38Å; K173-K177 VanDerWaalsContact O-CG 3.26Å; K173-K177 WeakPolarHBondContact O-CG 3.07Å; K173-K177 PolarHBondContact O-N 2.74Å; K173-K177 VanDerWaalsContact O-N 3.09Å
174	Q	97.6	Very high	97.9	Very high	132 Å²	132	55.4 Å²	55.4	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-72.8	-43.4	-176.8	-170.7	59.1	34.2	0	0	112	A172 K177 T178	A172-Q174 PolarHBondContact O-N 2.94Å; A172-Q174 VanDerWaalsContact O-N 3.14Å; Q174-K177 PolarHBondContact O-N 2.71Å; Q174-T178 PolarHBondContact O-N 3.42Å; Q174-T178 VanDerWaalsContact O-N 3.17Å; Q174-T178 PolarHBondContact O-OG1 2.99Å
175	A	97.9	Very high	97.7	Very high	52 Å²	52	53.6 Å²	53.6	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-45.8	176.1	0	0	0	0	0	111.1	A172 K177 T178 E179 V204	A172-A175 PolarHBondContact O-N 2.98Å; A175-K177 VanDerWaalsContact C-N 3.3Å; A175-K177 PolarHBondContact O-N 3.14Å; A175-T178 WeakPolarHBondContact O-CB 3.34Å; A175-T178 PolarHBondContact O-N 3.4Å; A175-T178 VanDerWaalsContact O-N 3.14Å; A175-E179 PolarHBondContact O-N 3.41Å; A175-V204 HydrophobicContact CB-CG1 4.01Å
176	A	98.4	Very high	97.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-40.3	177	0	0	0	0	0	112.3	T39 I41 A168 A172 T178 E179 I180 I200 V204	T39-A176 HydrophobicContact CG2-CB 4.23Å; I41-A176 HydrophobicContact CG2-CB 3.96Å; A168-A176 HydrophobicContact CB-CB 3.74Å; A172-A176 WeakPolarHBondContact O-CB 3.24Å; A172-A176 PolarHBondContact O-N 2.88Å; A176-T178 PolarHBondContact O-N 3.31Å; A176-E179 PolarHBondContact O-N 3.5Å; A176-I180 WeakPolarHBondContact O-CD1 3.44Å; A176-I180 WeakPolarHBondContact O-CG1 3.39Å; A176-I180 PolarHBondContact O-N 2.73Å; A176-I200 HydrophobicContact CB-CG2 4.28Å; A176-V204 HydrophobicContact CB-CG1 4.01Å
177	K	98.1	Very high	97.5	Very high	57 Å²	57	60 Å²	60	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.7	-80.6	177.4	172.9	-160.1	0	112.6	A168 K173 Q174 A175 E179 I180 E181	A168-K177 HydrophobicContact CB-CG 4.27Å; K173-K177 HydrophobicContact CG-CD 4.33Å; K173-K177 WeakPolarHBondContact O-CB 3.38Å; K173-K177 VanDerWaalsContact O-CG 3.26Å; K173-K177 WeakPolarHBondContact O-CG 3.07Å; K173-K177 PolarHBondContact O-N 2.74Å; K173-K177 VanDerWaalsContact O-N 3.09Å; Q174-K177 PolarHBondContact O-N 2.71Å; A175-K177 VanDerWaalsContact C-N 3.3Å; A175-K177 PolarHBondContact O-N 3.14Å; K177-E179 VanDerWaalsContact C-N 3.27Å; K177-E179 PolarHBondContact O-N 3.14Å; K177-I180 PolarHBondContact O-N 3Å; K177-E181 WeakPolarHBondContact O-CG 3.43Å; K177-E181 PolarHBondContact O-N 2.74Å
178	T	98.4	Very high	97.5	Very high	62 Å²	62	61.5 Å²	61.5	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-42.4	177.2	-55.3	0	0	0	0	111.3	Q174 A175 A176 E181	Q174-T178 PolarHBondContact O-N 3.42Å; Q174-T178 VanDerWaalsContact O-N 3.17Å; Q174-T178 PolarHBondContact O-OG1 2.99Å; A175-T178 WeakPolarHBondContact O-CB 3.34Å; A175-T178 PolarHBondContact O-N 3.4Å; A175-T178 VanDerWaalsContact O-N 3.14Å; A176-T178 PolarHBondContact O-N 3.31Å; T178-E181 PolarHBondContact O-N 3.02Å
179	E	98.2	Very high	97.5	Very high	37 Å²	37	63 Å²	63	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-41.7	176.8	-60.1	-51.2	123.9	0	0	112.6	A175 A176 K177 E181 K182 I200 I203	A175-E179 PolarHBondContact O-N 3.41Å; A176-E179 PolarHBondContact O-N 3.5Å; K177-E179 VanDerWaalsContact C-N 3.27Å; K177-E179 PolarHBondContact O-N 3.14Å; E179-E181 PolarHBondContact O-N 2.87Å; E179-K182 WeakPolarHBondContact O-CB 3.28Å; E179-K182 PolarHBondContact O-N 3.09Å; E179-K182 VanDerWaalsContact O-N 3.11Å; E179-K182 WeakPolarHBondContact OE1-CE 3.25Å; E179-K182 IonicContact OE1-NZ 3.52Å; E179-K182 PolarHBondContact OE1-NZ 2.87Å; E179-K182 WeakPolarHBondContact OE2-CD 3.29Å; E179-K182 WeakPolarHBondContact OE2-CE 3.45Å; E179-K182 IonicContact OE2-NZ 2.86Å; E179-K182 PolarHBondContact OE2-NZ 3.26Å; E179-I200 HydrophobicContact CB-CB 4.46Å; E179-I200 HydrophobicContact CB-CD1 4.14Å; E179-I200 HydrophobicContact CB-CG1 3.74Å; E179-I200 HydrophobicContact CB-CG2 4.08Å; E179-I203 HydrophobicContact CG-CG2 4.11Å
180	I	98.3	Very high	97.5	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.036	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-38.1	175.9	-68.1	167.2	0	0	0	111.2	I41 I43 A168 A176 K177 K182 L183 M185 I200	I41-I180 HydrophobicContact CB-CD1 4.35Å; I41-I180 HydrophobicContact CG2-CD1 4.36Å; I43-I180 HydrophobicContact CD1-CD1 4.32Å; I43-I180 HydrophobicContact CD1-CG1 3.78Å; I43-I180 HydrophobicContact CD1-CG2 4.43Å; I43-I180 HydrophobicContact CG1-CD1 4.27Å; I43-I180 HydrophobicContact CG1-CG1 4.21Å; I43-I180 HydrophobicContact CG1-CG2 4.48Å; A168-I180 HydrophobicContact CB-CD1 4.39Å; A176-I180 WeakPolarHBondContact O-CD1 3.44Å; A176-I180 WeakPolarHBondContact O-CG1 3.39Å; A176-I180 PolarHBondContact O-N 2.73Å; K177-I180 PolarHBondContact O-N 3Å; I180-K182 PolarHBondContact O-N 2.78Å; I180-L183 WeakPolarHBondContact O-CB 3.15Å; I180-L183 PolarHBondContact O-N 3.05Å; I180-L183 VanDerWaalsContact O-N 3.17Å; I180-M185 HydrophobicContact CG2-CE 3.96Å; I180-M185 VanDerWaalsContact O-CE 3.29Å; I180-M185 WeakPolarHBondContact O-CE 3.41Å; I180-I200 HydrophobicContact CG1-CD1 3.9Å
181	E	97.9	Very high	97.4	Very high	150 Å²	150	68.5 Å²	68.5	70%	0.701	33%	0.327	S	S	*	.	H	α-helix	trans	-66.8	-20.8	-180	-76.6	173.5	-177.3	0	0	113.6	K177 T178 E179 L183	K177-E181 WeakPolarHBondContact O-CG 3.43Å; K177-E181 PolarHBondContact O-N 2.74Å; T178-E181 PolarHBondContact O-N 3.02Å; E179-E181 PolarHBondContact O-N 2.87Å; E181-L183 VanDerWaalsContact C-N 3.29Å
182	K	97.6	Very high	97.4	Very high	136 Å²	136	69.7 Å²	69.7	59%	0.591	33%	0.334	S	S	*	.	H	α-helix	trans	-74.7	-19.4	174.8	-61.2	173	-171.8	170.4	0	112.6	E179 I180	E179-K182 WeakPolarHBondContact O-CB 3.28Å; E179-K182 PolarHBondContact O-N 3.09Å; E179-K182 VanDerWaalsContact O-N 3.11Å; E179-K182 WeakPolarHBondContact OE1-CE 3.25Å; E179-K182 IonicContact OE1-NZ 3.52Å; E179-K182 PolarHBondContact OE1-NZ 2.87Å; E179-K182 WeakPolarHBondContact OE2-CD 3.29Å; E179-K182 WeakPolarHBondContact OE2-CE 3.45Å; E179-K182 IonicContact OE2-NZ 2.86Å; E179-K182 PolarHBondContact OE2-NZ 3.26Å; I180-K182 PolarHBondContact O-N 2.78Å
183	L	96.9	Very high	97.5	Very high	29 Å²	29	68.9 Å²	68.9	15%	0.152	33%	0.328	C	S	.	.			trans	-81.6	137.7	-174.1	-58	-178	0	0	0	112.9	I43 I180 E181 M185 M188 L193 E196 I200	I43-L183 HydrophobicContact CD1-CD1 4.01Å; I180-L183 WeakPolarHBondContact O-CB 3.15Å; I180-L183 PolarHBondContact O-N 3.05Å; I180-L183 VanDerWaalsContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.29Å; L183-M185 HydrophobicContact CB-CB 4.45Å; L183-M185 HydrophobicContact CB-CE 4.43Å; L183-M185 PolarHBondContact O-N 3.09Å; L183-M188 HydrophobicContact CB-SD 4.5Å; L183-L193 HydrophobicContact CD1-CD1 4.1Å; L183-E196 HydrophobicContact CD1-CB 3.89Å; L183-E196 HydrophobicContact CD1-CG 4.35Å; L183-E196 HydrophobicContact CD2-CB 4.1Å; L183-E196 HydrophobicContact CD2-CG 3.85Å; L183-I200 HydrophobicContact CD1-CD1 3.86Å
184	Q	96.8	Very high	97.6	Very high	138 Å²	138	65.1 Å²	65.1	65%	0.645	31%	0.311	S	S	*	.			trans	-84.2	52.5	166.9	-63.2	-172.9	1.2	0	0	111.4	K186 E187	Q184-K186 PolarHBondContact O-N 3.35Å; Q184-E187 PolarHBondContact O-N 3.39Å
185	M	94.9	Very high	97.6	Very high	23 Å²	23	61.9 Å²	61.9	11%	0.113	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.2	-168.7	68.3	-160.7	81.6	0	0	114.9	I43 C45 W165 I180 L183 E187 M188	I43-M185 HydrophobicContact CG2-CB 4Å; I43-M185 HydrophobicContact CG2-CG 4.47Å; I43-M185 HydrophobicContact CG2-SD 3.89Å; C45-M185 VanDerWaalsContact CA-O 3.24Å; C45-M185 WeakPolarHBondContact CA-O 2.88Å; C45-M185 WeakPolarHBondContact CB-O 3.45Å; W165-M185 HydrophobicContact CB-SD 3.72Å; I180-M185 HydrophobicContact CG2-CE 3.96Å; I180-M185 VanDerWaalsContact O-CE 3.29Å; I180-M185 WeakPolarHBondContact O-CE 3.41Å; L183-M185 HydrophobicContact CB-CB 4.45Å; L183-M185 HydrophobicContact CB-CE 4.43Å; L183-M185 PolarHBondContact O-N 3.09Å; M185-E187 PolarHBondContact O-N 2.76Å; M185-M188 PolarHBondContact O-N 2.8Å
186	K	95.9	Very high	97.6	Very high	128 Å²	128	61.3 Å²	61.3	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19	177.8	-64.4	-176.2	-178.2	176.8	0	114.2	K46 W165 Q184	K46-K186 WeakPolarHBondContact CB-O 3.42Å; W165-K186 HydrophobicContact CD2-CG 4.44Å; W165-K186 VanDerWaalsContact CE2-CE 3.48Å; W165-K186 HydrophobicContact CE3-CG 3.95Å; W165-K186 HydrophobicContact CH2-CD 4.24Å; W165-K186 HydrophobicContact CH2-CG 4.08Å; W165-K186 HydrophobicContact CZ2-CD 4.33Å; W165-K186 HydrophobicContact CZ3-CD 4.39Å; W165-K186 HydrophobicContact CZ3-CG 3.76Å; Q184-K186 PolarHBondContact O-N 3.35Å
187	E	96.7	Very high	97.6	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-15.8	-178.2	-59.9	-175.8	-171.7	0	0	112.1	K46 Q184 M185	K46-E187 WeakPolarHBondContact CD-O 3.4Å; K46-E187 WeakPolarHBondContact CE-O 3.48Å; K46-E187 PolarHBondContact NZ-O 3.23Å; Q184-E187 PolarHBondContact O-N 3.39Å; M185-E187 PolarHBondContact O-N 2.76Å
188	M	97.9	Very high	97.6	Very high	30 Å²	30	58.6 Å²	58.6	15%	0.148	27%	0.272	C	S	.	.			trans	-78.1	153.9	179.6	-57.3	-177.6	77.5	0	0	111.8	C45 K46 L183 M185 E192 E196	C45-M188 WeakPolarHBondContact CB-O 3.39Å; K46-M188 VanDerWaalsContact CG-O 3.24Å; K46-M188 WeakPolarHBondContact CG-O 3.49Å; K46-M188 PolarHBondContact N-O 2.96Å; L183-M188 HydrophobicContact CB-SD 4.5Å; M185-M188 PolarHBondContact O-N 2.8Å; M188-E192 HydrophobicContact CE-CB 3.86Å; M188-E196 HydrophobicContact CE-CG 3.55Å; M188-E196 HydrophobicContact SD-CG 4.49Å
189	T	98.3	Very high	97.6	Very high	33 Å²	33	57.4 Å²	57.4	20%	0.202	26%	0.261	C	S	.	.			trans	-89.8	163.3	167.8	59.3	0	0	0	0	111.3	D47 R191 E192 L193	D47-T189 VanDerWaalsContact OD1-CA 3.23Å; D47-T189 WeakPolarHBondContact OD1-CA 3.46Å; D47-T189 WeakPolarHBondContact OD2-CB 3.42Å; T189-R191 PolarHBondContact O-N 3.23Å; T189-E192 WeakPolarHBondContact CB-OE2 3.33Å; T189-E192 PolarHBondContact N-OE2 3.37Å; T189-E192 PolarHBondContact O-N 2.62Å; T189-E192 VanDerWaalsContact OG1-CD 3.3Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 3.47Å; T189-E192 PolarHBondContact OG1-OE2 3.3Å; T189-L193 VanDerWaalsContact O-CB 3.28Å; T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 PolarHBondContact O-N 2.8Å
190	C	97.8	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-54.2	-37.3	170.2	-79.2	0	0	0	0	111.7	C45 D47 G48 V50 L193 V194 W219 V223	C45-C190 PolarHBondContact SG-N 2.77Å; C45-C190 VanDerWaalsContact SG-N 3.4Å; C45-C190 PolarHBondContact SG-SG 3.26Å; D47-C190 PolarHBondContact OD1-N 3.26Å; D47-C190 PolarHBondContact OD2-N 3.23Å; G48-C190 WeakPolarHBondContact CA-SG 3.26Å; V50-C190 HydrophobicContact CG2-CB 4.25Å; C190-L193 PolarHBondContact O-N 3.44Å; C190-V194 VanDerWaalsContact O-CG2 3.29Å; C190-V194 WeakPolarHBondContact O-CG2 3.47Å; C190-V194 PolarHBondContact O-N 3.28Å; C190-W219 HydrophobicContact CB-CE3 4.36Å; C190-V223 HydrophobicContact CB-CG1 4.13Å
191	R	96.9	Very high	97.7	Very high	122 Å²	122	55.4 Å²	55.4	46%	0.46	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-44.1	-177.9	-73.7	-75.5	-179.2	167.6	-2.8	112.5	T189 I235	T189-R191 PolarHBondContact O-N 3.23Å; R191-I235 VanDerWaalsContact NH1-CG1 3.28Å
192	E	97.6	Very high	97.7	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-69.4	-43.1	175.2	-66.8	156	150.4	0	0	110.2	M188 T189 V194 K195	M188-E192 HydrophobicContact CE-CB 3.86Å; T189-E192 WeakPolarHBondContact CB-OE2 3.33Å; T189-E192 PolarHBondContact N-OE2 3.37Å; T189-E192 PolarHBondContact O-N 2.62Å; T189-E192 VanDerWaalsContact OG1-CD 3.3Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 3.47Å; T189-E192 PolarHBondContact OG1-OE2 3.3Å; E192-V194 VanDerWaalsContact C-N 3.28Å; E192-V194 PolarHBondContact O-N 3.3Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.48Å; E192-K195 VanDerWaalsContact O-N 3.11Å
193	L	98.1	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-28.8	-175.8	-173.1	62.7	0	0	0	113.5	I43 C45 V50 L183 T189 C190 K195 E196 V197	I43-L193 HydrophobicContact CB-CD1 4.11Å; I43-L193 HydrophobicContact CB-CD2 3.83Å; I43-L193 HydrophobicContact CB-CG 4.35Å; I43-L193 HydrophobicContact CD1-CD1 4.17Å; I43-L193 HydrophobicContact CG2-CD1 3.8Å; I43-L193 HydrophobicContact CG2-CD2 3.85Å; I43-L193 HydrophobicContact CG2-CG 4.4Å; I43-L193 WeakPolarHBondContact O-CD2 3.25Å; C45-L193 HydrophobicContact CB-CD2 3.67Å; V50-L193 HydrophobicContact CB-CD2 4.14Å; V50-L193 HydrophobicContact CB-CG 4.28Å; V50-L193 HydrophobicContact CG2-CB 4.15Å; V50-L193 HydrophobicContact CG2-CD2 3.98Å; V50-L193 HydrophobicContact CG2-CG 4.13Å; L183-L193 HydrophobicContact CD1-CD1 4.1Å; T189-L193 VanDerWaalsContact O-CB 3.28Å; T189-L193 WeakPolarHBondContact O-CB 3.39Å; T189-L193 PolarHBondContact O-N 2.8Å; C190-L193 PolarHBondContact O-N 3.44Å; L193-K195 PolarHBondContact O-N 3.28Å; L193-E196 HydrophobicContact CD1-CB 4.36Å; L193-E196 PolarHBondContact O-N 3.17Å; L193-V197 HydrophobicContact CD1-CG2 4.45Å; L193-V197 HydrophobicContact CG-CG2 4.21Å; L193-V197 WeakPolarHBondContact O-CB 3.5Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.41Å
194	V	98.6	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-38.4	174.1	167.2	0	0	0	0	111.9	V50 C190 E192 A198 L217 W219 V231 I235 A239	V50-V194 HydrophobicContact CB-CG2 4.5Å; V50-V194 HydrophobicContact CG1-CG2 3.75Å; V50-V194 HydrophobicContact CG2-CG2 3.87Å; C190-V194 VanDerWaalsContact O-CG2 3.29Å; C190-V194 WeakPolarHBondContact O-CG2 3.47Å; C190-V194 PolarHBondContact O-N 3.28Å; E192-V194 VanDerWaalsContact C-N 3.28Å; E192-V194 PolarHBondContact O-N 3.3Å; V194-A198 PolarHBondContact O-N 2.9Å; V194-A198 VanDerWaalsContact O-N 3.09Å; V194-L217 HydrophobicContact CG1-CD1 4Å; V194-W219 HydrophobicContact CG2-CE3 3.84Å; V194-W219 HydrophobicContact CG2-CZ3 4.2Å; V194-V231 HydrophobicContact CG1-CG1 4.28Å; V194-V231 HydrophobicContact CG2-CG2 4.08Å; V194-I235 HydrophobicContact CG1-CG2 4.08Å; V194-A239 HydrophobicContact CG1-CB 3.82Å
195	K	98.2	Very high	97.6	Very high	65 Å²	65	38.9 Å²	38.9	28%	0.283	18%	0.177	S	C	.	.	H	α-helix	trans	-67.8	-45.5	178.5	-63.8	-174.6	178.4	-172.2	0	111.4	E192 L193 V197 A198 K199 E238 A239 Y242	E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.48Å; E192-K195 VanDerWaalsContact O-N 3.11Å; L193-K195 PolarHBondContact O-N 3.28Å; K195-V197 PolarHBondContact O-N 2.7Å; K195-A198 PolarHBondContact O-N 3.11Å; K195-K199 PolarHBondContact O-N 3.18Å; K195-E238 WeakPolarHBondContact CE-OE1 3.33Å; K195-E238 IonicContact NZ-OE1 2.71Å; K195-E238 PolarHBondContact NZ-OE1 3.4Å; K195-A239 HydrophobicContact CG-CB 4.46Å; K195-Y242 HydrophobicContact CB-CD1 3.65Å; K195-Y242 HydrophobicContact CB-CE1 3.97Å; K195-Y242 HydrophobicContact CB-CG 4.18Å; K195-Y242 HydrophobicContact CD-CG 4.31Å; K195-Y242 HydrophobicContact CG-CD1 4.45Å
196	E	98.4	Very high	97.5	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-40.8	176.5	-60.1	-55.3	148.8	0	0	112.2	L183 M188 L193 A198 K199 I200	L183-E196 HydrophobicContact CD1-CB 3.89Å; L183-E196 HydrophobicContact CD1-CG 4.35Å; L183-E196 HydrophobicContact CD2-CB 4.1Å; L183-E196 HydrophobicContact CD2-CG 3.85Å; M188-E196 HydrophobicContact CE-CG 3.55Å; M188-E196 HydrophobicContact SD-CG 4.49Å; L193-E196 HydrophobicContact CD1-CB 4.36Å; L193-E196 PolarHBondContact O-N 3.17Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 2.94Å; E196-K199 PolarHBondContact O-N 3.44Å; E196-I200 WeakPolarHBondContact O-CB 3.32Å; E196-I200 WeakPolarHBondContact O-CG1 3.29Å; E196-I200 PolarHBondContact O-N 3.25Å
197	V	98.7	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.2	165.9	0	0	0	0	110.8	I41 I43 V50 G52 L193 K195 I201 L217	I41-V197 HydrophobicContact CD1-CB 4.44Å; I41-V197 HydrophobicContact CD1-CG1 4.02Å; I41-V197 HydrophobicContact CD1-CG2 4.43Å; I41-V197 HydrophobicContact CG1-CG1 4.13Å; I43-V197 HydrophobicContact CD1-CG2 3.73Å; I43-V197 HydrophobicContact CG1-CG2 4.21Å; V50-V197 HydrophobicContact CB-CG2 4.12Å; V50-V197 HydrophobicContact CG1-CB 4.14Å; V50-V197 HydrophobicContact CG1-CG1 4.2Å; V50-V197 HydrophobicContact CG1-CG2 3.88Å; G52-V197 VanDerWaalsContact CA-CG1 3.48Å; L193-V197 HydrophobicContact CD1-CG2 4.45Å; L193-V197 HydrophobicContact CG-CG2 4.21Å; L193-V197 WeakPolarHBondContact O-CB 3.5Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.41Å; K195-V197 PolarHBondContact O-N 2.7Å; V197-I201 VanDerWaalsContact O-CG1 3.32Å; V197-I201 WeakPolarHBondContact O-CG1 3.44Å; V197-I201 PolarHBondContact O-N 3.41Å; V197-I201 VanDerWaalsContact O-N 3.12Å; V197-L217 HydrophobicContact CB-CD2 4.45Å; V197-L217 HydrophobicContact CG1-CD2 3.59Å
198	A	98.6	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-51.8	174	0	0	0	0	0	110.8	V194 K195 E196 I200 I201 Y202 L215 A239 A243	V194-A198 PolarHBondContact O-N 2.9Å; V194-A198 VanDerWaalsContact O-N 3.09Å; K195-A198 PolarHBondContact O-N 3.11Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 2.94Å; A198-I200 VanDerWaalsContact C-N 3.32Å; A198-I200 PolarHBondContact O-N 3.47Å; A198-I201 PolarHBondContact O-N 3.3Å; A198-I201 VanDerWaalsContact O-N 3.09Å; A198-Y202 WeakPolarHBondContact O-CD2 3.39Å; A198-Y202 PolarHBondContact O-N 3.5Å; A198-L215 HydrophobicContact CB-CD2 3.71Å; A198-A239 HydrophobicContact CB-CB 3.83Å; A198-A243 HydrophobicContact CB-CB 4.11Å
199	K	98.4	Very high	96.5	Very high	37 Å²	37	47.7 Å²	47.7	16%	0.161	23%	0.228	C	C	.	.	H	α-helix	trans	-51.2	-50.2	177.6	178.3	174.3	175	164	0	111.6	K195 E196 I201 Y202 I203 Y242 A243 E250	K195-K199 PolarHBondContact O-N 3.18Å; E196-K199 PolarHBondContact O-N 3.44Å; K199-I201 PolarHBondContact O-N 3.22Å; K199-Y202 PolarHBondContact O-N 2.93Å; K199-I203 HydrophobicContact CD-CD1 4.31Å; K199-I203 HydrophobicContact CG-CD1 3.76Å; K199-I203 HydrophobicContact CG-CG1 4.38Å; K199-I203 WeakPolarHBondContact O-CG1 3.48Å; K199-I203 PolarHBondContact O-N 3.5Å; K199-Y242 HydrophobicContact CB-CD1 4.48Å; K199-Y242 HydrophobicContact CB-CE1 4.15Å; K199-Y242 HydrophobicContact CD-CE1 4.21Å; K199-A243 HydrophobicContact CB-CB 4.38Å; K199-E250 IonicContact NZ-OE1 3.82Å; K199-E250 PolarHBondContact NZ-OE1 2.87Å
200	I	98.4	Very high	96.1	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-43.2	179.9	-66.7	169.8	0	0	0	111.5	I41 I43 A176 E179 I180 L183 E196 A198 Y202 I203 V204	I41-I200 HydrophobicContact CD1-CB 3.98Å; I41-I200 HydrophobicContact CD1-CG2 3.75Å; I43-I200 HydrophobicContact CD1-CD1 4.05Å; A176-I200 HydrophobicContact CB-CG2 4.28Å; E179-I200 HydrophobicContact CB-CB 4.46Å; E179-I200 HydrophobicContact CB-CD1 4.14Å; E179-I200 HydrophobicContact CB-CG1 3.74Å; E179-I200 HydrophobicContact CB-CG2 4.08Å; I180-I200 HydrophobicContact CG1-CD1 3.9Å; L183-I200 HydrophobicContact CD1-CD1 3.86Å; E196-I200 WeakPolarHBondContact O-CB 3.32Å; E196-I200 WeakPolarHBondContact O-CG1 3.29Å; E196-I200 PolarHBondContact O-N 3.25Å; A198-I200 VanDerWaalsContact C-N 3.32Å; A198-I200 PolarHBondContact O-N 3.47Å; I200-Y202 VanDerWaalsContact C-N 3.32Å; I200-Y202 PolarHBondContact O-N 3.03Å; I200-I203 PolarHBondContact O-N 3.37Å; I200-V204 HydrophobicContact CG2-CG1 4.47Å; I200-V204 WeakPolarHBondContact O-CG1 3.32Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.2Å; I200-V204 PolarHBondContact O-N 3.1Å; I200-V204 VanDerWaalsContact O-N 3.09Å
201	I	98.6	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-40.3	178.6	-69.8	-67.5	0	0	0	111.4	I41 E54 V197 A198 K199 H205 F213 L215	I41-I201 HydrophobicContact CD1-CD1 4.04Å; I41-I201 HydrophobicContact CD1-CG1 4Å; I41-I201 HydrophobicContact CG1-CD1 4.03Å; I41-I201 HydrophobicContact CG1-CG1 4.32Å; I41-I201 HydrophobicContact CG2-CD1 4.28Å; E54-I201 HydrophobicContact CB-CD1 4.5Å; E54-I201 HydrophobicContact CB-CG2 4Å; V197-I201 VanDerWaalsContact O-CG1 3.32Å; V197-I201 WeakPolarHBondContact O-CG1 3.44Å; V197-I201 PolarHBondContact O-N 3.41Å; V197-I201 VanDerWaalsContact O-N 3.12Å; A198-I201 PolarHBondContact O-N 3.3Å; A198-I201 VanDerWaalsContact O-N 3.09Å; K199-I201 PolarHBondContact O-N 3.22Å; I201-H205 WeakPolarHBondContact O-CB 3.46Å; I201-H205 PolarHBondContact O-N 3.33Å; I201-F213 HydrophobicContact CG2-CD2 4.43Å; I201-F213 HydrophobicContact CG2-CE2 3.7Å; I201-F213 HydrophobicContact CG2-CZ 4.19Å; I201-L215 HydrophobicContact CB-CD1 3.89Å; I201-L215 HydrophobicContact CG1-CD1 4.04Å; I201-L215 HydrophobicContact CG2-CD1 3.63Å
202	Y	97.9	Very high	95.6	Very high	24 Å²	24	51.6 Å²	51.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-44.4	176.2	-89	-87.5	0	0	0	112.1	A198 K199 I200 V204 H205 F213 L215 E240 A243 K244 L247	A198-Y202 WeakPolarHBondContact O-CD2 3.39Å; A198-Y202 PolarHBondContact O-N 3.5Å; K199-Y202 PolarHBondContact O-N 2.93Å; I200-Y202 VanDerWaalsContact C-N 3.32Å; I200-Y202 PolarHBondContact O-N 3.03Å; Y202-V204 VanDerWaalsContact C-N 3.32Å; Y202-V204 PolarHBondContact O-N 2.91Å; Y202-H205 PolarHBondContact O-N 2.86Å; Y202-F213 HydrophobicContact CD1-CE1 4.14Å; Y202-F213 AromaticContact CD1-CZ 3.84Å; Y202-F213 HydrophobicContact CD1-CZ 3.84Å; Y202-F213 HydrophobicContact CD2-CZ 4.02Å; Y202-F213 AromaticContact CE1-CE1 3.95Å; Y202-F213 HydrophobicContact CE1-CE1 3.95Å; Y202-F213 AromaticContact CE1-CZ 3.65Å; Y202-F213 HydrophobicContact CE1-CZ 3.65Å; Y202-F213 HydrophobicContact CE2-CE2 4.43Å; Y202-F213 AromaticContact CE2-CZ 3.87Å; Y202-F213 HydrophobicContact CE2-CZ 3.87Å; Y202-F213 HydrophobicContact CG-CZ 4.01Å; Y202-F213 AromaticContact CZ-CZ 3.67Å; Y202-L215 HydrophobicContact CE2-CD2 4.25Å; Y202-E240 HydrophobicContact CE2-CB 4.45Å; Y202-E240 HydrophobicContact CE2-CG 4.19Å; Y202-A243 HydrophobicContact CD2-CB 3.43Å; Y202-A243 VanDerWaalsContact CD2-CB 3.43Å; Y202-A243 HydrophobicContact CE2-CB 4.01Å; Y202-A243 HydrophobicContact CG-CB 3.9Å; Y202-K244 HydrophobicContact CD1-CG 4.42Å; Y202-K244 HydrophobicContact CE1-CG 4.01Å; Y202-K244 WeakPolarHBondContact OH-CE 3.18Å; Y202-L247 HydrophobicContact CD1-CD1 4.21Å; Y202-L247 HydrophobicContact CG-CD1 4.39Å
203	I	96.9	Very high	95.6	Very high	48 Å²	48	48.5 Å²	48.5	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.7	-72.6	170.4	0	0	0	112.3	E179 K199 I200 H205 L247	E179-I203 HydrophobicContact CG-CG2 4.11Å; K199-I203 HydrophobicContact CD-CD1 4.31Å; K199-I203 HydrophobicContact CG-CD1 3.76Å; K199-I203 HydrophobicContact CG-CG1 4.38Å; K199-I203 WeakPolarHBondContact O-CG1 3.48Å; K199-I203 PolarHBondContact O-N 3.5Å; I200-I203 PolarHBondContact O-N 3.37Å; I203-H205 VanDerWaalsContact C-N 3.31Å; I203-L247 HydrophobicContact CG1-CD2 4.07Å
204	V	96.8	Very high	95.5	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.5	-174.8	-55.5	0	0	0	0	113.7	T39 A172 A175 A176 I200 Y202	T39-V204 HydrophobicContact CG2-CG2 4.31Å; A172-V204 HydrophobicContact CB-CB 3.81Å; A172-V204 HydrophobicContact CB-CG2 4.19Å; A175-V204 HydrophobicContact CB-CG1 4.01Å; A176-V204 HydrophobicContact CB-CG1 4.01Å; I200-V204 HydrophobicContact CG2-CG1 4.47Å; I200-V204 WeakPolarHBondContact O-CG1 3.32Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.2Å; I200-V204 PolarHBondContact O-N 3.1Å; I200-V204 VanDerWaalsContact O-N 3.09Å; Y202-V204 VanDerWaalsContact C-N 3.32Å; Y202-V204 PolarHBondContact O-N 2.91Å
205	H	97.1	Very high	95.5	Very high	19 Å²	19	50.1 Å²	50.1	9%	0.088	25%	0.254	C	S	.	.			trans	-80.1	129.3	174.1	-178.9	63.1	0	0	0	109.9	E54 I201 Y202 I203 K211 F213	E54-H205 IonicContact OE1-CE1 2.7Å; E54-H205 IonicContact OE1-CG 2.76Å; E54-H205 IonicContact OE1-ND1 3.7Å; E54-H205 PolarHBondContact OE1-ND1 3.09Å; I201-H205 WeakPolarHBondContact O-CB 3.46Å; I201-H205 PolarHBondContact O-N 3.33Å; Y202-H205 PolarHBondContact O-N 2.86Å; I203-H205 VanDerWaalsContact C-N 3.31Å; H205-K211 PolarHBondContact CE1-O 2.91Å; H205-K211 VanDerWaalsContact CE1-O 3.3Å; H205-F213 HydrophobicContact CB-CD1 4.47Å; H205-F213 HydrophobicContact CB-CE1 4.16Å; H205-F213 AromaticContact CD2-CD1 3.56Å; H205-F213 AromaticContact CD2-CE1 3.63Å; H205-F213 AromaticContact CE1-CD1 3.7Å; H205-F213 AromaticContact CG-CD1 3.69Å; H205-F213 AromaticContact CG-CE1 3.77Å; H205-F213 AromaticContact ND1-CD1 3.77Å; H205-F213 AromaticContact NE2-CD1 3.56Å
206	D	92.6	Very high	95.5	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.262	24%	0.242	S	C	.	.			trans	-97.3	91.8	177.9	-175.7	-28.7	0	0	0	108.9	V208 K209 D210	D206-V208 PolarHBondContact O-N 3.33Å; D206-V208 VanDerWaalsContact O-N 3.11Å; D206-V208 WeakPolarHBondContact OD1-CB 3.38Å; D206-V208 PolarHBondContact OD1-N 3.25Å; D206-V208 VanDerWaalsContact OD1-N 3.17Å; D206-K209 HydrophobicContact CB-CB 4.37Å; D206-K209 PolarHBondContact O-N 3.16Å; D206-K209 PolarHBondContact OD1-N 3.14Å; D206-K209 VanDerWaalsContact OD2-CD 3.27Å; D206-K209 WeakPolarHBondContact OD2-CD 3.45Å; D206-K209 WeakPolarHBondContact OD2-CE 3.06Å; D206-K209 WeakPolarHBondContact OD2-CG 3.29Å; D206-K209 IonicContact OD2-NZ 2.71Å; D206-K209 PolarHBondContact OD2-NZ 3.34Å; D206-D210 VanDerWaalsContact O-CB 3.3Å; D206-D210 WeakPolarHBondContact O-CB 3.32Å; D206-D210 PolarHBondContact O-N 3.17Å
207	E	90.3	Very high	95.6	Very high	143 Å²	143	45.7 Å²	45.7	67%	0.668	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.6	-177.8	-66.1	-168.3	168	0	0	113.8
208	V	89.3	Confident	95.6	Very high	140 Å²	140	45.7 Å²	45.7	85%	0.848	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-39.7	179.3	-179.2	0	0	0	0	111	D206	D206-V208 PolarHBondContact O-N 3.33Å; D206-V208 VanDerWaalsContact O-N 3.11Å; D206-V208 WeakPolarHBondContact OD1-CB 3.38Å; D206-V208 PolarHBondContact OD1-N 3.25Å; D206-V208 VanDerWaalsContact OD1-N 3.17Å
209	K	89.6	Confident	95.6	Very high	170 Å²	170	46 Å²	46	74%	0.739	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-32.2	-176.3	-63.9	-170.2	-164.2	109.4	0	113.5	D206	D206-K209 HydrophobicContact CB-CB 4.37Å; D206-K209 PolarHBondContact O-N 3.16Å; D206-K209 PolarHBondContact OD1-N 3.14Å; D206-K209 VanDerWaalsContact OD2-CD 3.27Å; D206-K209 WeakPolarHBondContact OD2-CD 3.45Å; D206-K209 WeakPolarHBondContact OD2-CE 3.06Å; D206-K209 WeakPolarHBondContact OD2-CG 3.29Å; D206-K209 IonicContact OD2-NZ 2.71Å; D206-K209 PolarHBondContact OD2-NZ 3.34Å
210	D	89.9	Confident	95.6	Very high	47 Å²	47	44.2 Å²	44.2	25%	0.251	23%	0.228	S	C	.	.	S	Bend	trans	-99.2	159.4	-172.9	-67	-70.9	0	0	0	112.6	L56 K171 D206	L56-D210 HydrophobicContact CD2-CB 4.13Å; K171-D210 IonicContact NZ-OD1 2.74Å; K171-D210 PolarHBondContact NZ-OD1 2.93Å; K171-D210 IonicContact NZ-OD2 3.46Å; K171-D210 PolarHBondContact NZ-OD2 3.26Å; D206-D210 VanDerWaalsContact O-CB 3.3Å; D206-D210 WeakPolarHBondContact O-CB 3.32Å; D206-D210 PolarHBondContact O-N 3.17Å
211	K	89.5	Confident	95.6	Very high	115 Å²	115	44.1 Å²	44.1	50%	0.5	23%	0.227	S	C	.	.			trans	-77.4	162.8	171.1	-66.7	179.2	175.6	-179.3	0	109.5	L58 H205 F213	L58-K211 HydrophobicContact CD2-CD 4.47Å; L58-K211 PolarHBondContact O-NZ 3.26Å; H205-K211 PolarHBondContact CE1-O 2.91Å; H205-K211 VanDerWaalsContact CE1-O 3.3Å; K211-F213 PolarHBondContact O-N 2.83Å
212	A	94.1	Very high	95.5	Very high	74 Å²	74	49.8 Å²	49.8	61%	0.612	25%	0.254	S	S	*	.			trans	-45.2	142.9	167	0	0	0	0	0	111.7	V57	V57-A212 WeakPolarHBondContact CB-O 3.29Å; V57-A212 PolarHBondContact N-O 3.18Å
213	F	97	Very high	95.5	Very high	32 Å²	32	51.1 Å²	51.1	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.7	-178.9	79.1	-81.6	0	0	0	111.4	E54 K55 L56 I201 Y202 H205 K211 L215	E54-F213 HydrophobicContact CG-CB 4.19Å; E54-F213 HydrophobicContact CG-CD2 4.15Å; E54-F213 HydrophobicContact CG-CG 4.16Å; K55-F213 CarbonylContact O-C 3.58Å; K55-F213 WeakPolarHBondContact O-CA 3.23Å; L56-F213 HydrophobicContact CD2-CB 4.04Å; I201-F213 HydrophobicContact CG2-CD2 4.43Å; I201-F213 HydrophobicContact CG2-CE2 3.7Å; I201-F213 HydrophobicContact CG2-CZ 4.19Å; Y202-F213 HydrophobicContact CD1-CE1 4.14Å; Y202-F213 AromaticContact CD1-CZ 3.84Å; Y202-F213 HydrophobicContact CD1-CZ 3.84Å; Y202-F213 HydrophobicContact CD2-CZ 4.02Å; Y202-F213 AromaticContact CE1-CE1 3.95Å; Y202-F213 HydrophobicContact CE1-CE1 3.95Å; Y202-F213 AromaticContact CE1-CZ 3.65Å; Y202-F213 HydrophobicContact CE1-CZ 3.65Å; Y202-F213 HydrophobicContact CE2-CE2 4.43Å; Y202-F213 AromaticContact CE2-CZ 3.87Å; Y202-F213 HydrophobicContact CE2-CZ 3.87Å; Y202-F213 HydrophobicContact CG-CZ 4.01Å; Y202-F213 AromaticContact CZ-CZ 3.67Å; H205-F213 HydrophobicContact CB-CD1 4.47Å; H205-F213 HydrophobicContact CB-CE1 4.16Å; H205-F213 AromaticContact CD2-CD1 3.56Å; H205-F213 AromaticContact CD2-CE1 3.63Å; H205-F213 AromaticContact CE1-CD1 3.7Å; H205-F213 AromaticContact CG-CD1 3.69Å; H205-F213 AromaticContact CG-CE1 3.77Å; H205-F213 AromaticContact ND1-CD1 3.77Å; H205-F213 AromaticContact NE2-CD1 3.56Å; K211-F213 PolarHBondContact O-N 2.83Å; F213-L215 HydrophobicContact CE2-CB 4.02Å; F213-L215 HydrophobicContact CE2-CD1 4.45Å
214	E	97.3	Very high	95.5	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.6	166.3	-173.8	-167.9	145	0	0	107.5	K55 V57 G65 E216	K55-E214 WeakPolarHBondContact CB-O 3.3Å; K55-E214 WeakPolarHBondContact CE-OE2 3.38Å; K55-E214 PolarHBondContact N-O 2.7Å; K55-E214 IonicContact NZ-OE1 3.38Å; K55-E214 PolarHBondContact NZ-OE1 2.92Å; K55-E214 IonicContact NZ-OE2 2.81Å; K55-E214 PolarHBondContact NZ-OE2 3.48Å; K55-E214 PolarHBondContact O-N 3.39Å; V57-E214 HydrophobicContact CG2-CB 4.2Å; G65-E214 WeakPolarHBondContact CA-OE1 3.37Å; G65-E214 PolarHBondContact N-OE1 3.17Å; G65-E214 PolarHBondContact N-OE2 2.75Å; E214-E216 PolarHBondContact O-N 2.83Å
215	L	98.4	Very high	95.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.8	174.2	-179.4	64.1	0	0	0	109.7	A198 I201 Y202 F213 L217 K236 E240	A198-L215 HydrophobicContact CB-CD2 3.71Å; I201-L215 HydrophobicContact CB-CD1 3.89Å; I201-L215 HydrophobicContact CG1-CD1 4.04Å; I201-L215 HydrophobicContact CG2-CD1 3.63Å; Y202-L215 HydrophobicContact CE2-CD2 4.25Å; F213-L215 HydrophobicContact CE2-CB 4.02Å; F213-L215 HydrophobicContact CE2-CD1 4.45Å; L215-L217 HydrophobicContact CD1-CD2 4.26Å; L215-L217 HydrophobicContact CD1-CG 4.42Å; L215-L217 HydrophobicContact CD2-CD1 3.79Å; L215-L217 HydrophobicContact CD2-CD2 4.3Å; L215-L217 HydrophobicContact CD2-CG 3.99Å; L215-L217 HydrophobicContact CG-CD1 4.25Å; L215-L217 HydrophobicContact CG-CD2 4.28Å; L215-L217 HydrophobicContact CG-CG 3.92Å; L215-K236 WeakPolarHBondContact O-CE 3.23Å; L215-K236 PolarHBondContact O-NZ 3.38Å; L215-E240 HydrophobicContact CD2-CG 3.75Å
216	E	98.4	Very high	95.6	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.033	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.2	167.6	-56.1	-166.6	152.2	0	0	110	G52 V53 K55 K68 R69 I70 E214	G52-E216 CarbonylContact C-O 3.48Å; G52-E216 WeakPolarHBondContact CA-O 3.4Å; V53-E216 HydrophobicContact CB-CB 4.22Å; V53-E216 PolarHBondContact N-O 3.22Å; V53-E216 PolarHBondContact O-N 3.16Å; K55-E216 HydrophobicContact CB-CG 4.28Å; K55-E216 HydrophobicContact CD-CG 4.32Å; K55-E216 VanDerWaalsContact CD-OE1 3.28Å; K55-E216 WeakPolarHBondContact CD-OE1 3.42Å; K55-E216 VanDerWaalsContact CE-OE1 3.31Å; K55-E216 WeakPolarHBondContact CE-OE1 3.37Å; K55-E216 IonicContact NZ-OE1 3.69Å; K55-E216 PolarHBondContact NZ-OE1 3Å; K68-E216 WeakPolarHBondContact CA-OE1 3.27Å; R69-E216 PolarHBondContact N-OE2 3.17Å; I70-E216 HydrophobicContact CD1-CB 3.84Å; I70-E216 HydrophobicContact CG1-CB 4.39Å; E214-E216 PolarHBondContact O-N 2.83Å
217	L	98.7	Very high	95.9	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	177.6	-67.3	170.2	0	0	0	110.6	F51 V194 V197 L215 F230 V231 K236 A239	F51-L217 WeakPolarHBondContact O-CA 3.41Å; V194-L217 HydrophobicContact CG1-CD1 4Å; V197-L217 HydrophobicContact CB-CD2 4.45Å; V197-L217 HydrophobicContact CG1-CD2 3.59Å; L215-L217 HydrophobicContact CD1-CD2 4.26Å; L215-L217 HydrophobicContact CD1-CG 4.42Å; L215-L217 HydrophobicContact CD2-CD1 3.79Å; L215-L217 HydrophobicContact CD2-CD2 4.3Å; L215-L217 HydrophobicContact CD2-CG 3.99Å; L215-L217 HydrophobicContact CG-CD1 4.25Å; L215-L217 HydrophobicContact CG-CD2 4.28Å; L215-L217 HydrophobicContact CG-CG 3.92Å; L217-F230 WeakPolarHBondContact O-CD1 3.45Å; L217-V231 HydrophobicContact CB-CB 3.84Å; L217-V231 HydrophobicContact CB-CG2 3.72Å; L217-V231 PolarHBondContact O-N 2.53Å; L217-K236 HydrophobicContact CD1-CB 4.27Å; L217-K236 HydrophobicContact CD1-CG 4.1Å; L217-A239 HydrophobicContact CD1-CB 4.45Å
218	S	98.8	Very high	96.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.3	170.7	64.5	0	0	0	0	110.4	V50 F51 I70 H228 E229	V50-S218 WeakPolarHBondContact CA-O 3.48Å; F51-S218 WeakPolarHBondContact CB-OG 3.21Å; F51-S218 WeakPolarHBondContact CD2-OG 3.41Å; F51-S218 PolarHBondContact N-O 3.38Å; F51-S218 PolarHBondContact O-N 2.99Å; I70-S218 WeakPolarHBondContact CD1-OG 3.48Å; I70-S218 VanDerWaalsContact CG2-OG 3.25Å; I70-S218 WeakPolarHBondContact CG2-OG 3.4Å; S218-H228 WeakPolarHBondContact CB-NE2 3.27Å; S218-H228 PolarHBondContact OG-NE2 2.93Å; S218-H228 VanDerWaalsContact OG-NE2 3.1Å; S218-E229 WeakPolarHBondContact CA-O 3.31Å; S218-E229 WeakPolarHBondContact CB-O 3.37Å
219	W	98.8	Very high	96.7	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	160.9	-179.4	57.3	10.4	0	0	0	111.8	I49 V50 C190 V194 V223 T224 H228 E229 V231 P232 I235	I49-W219 CarbonylContact O-C 3.58Å; I49-W219 WeakPolarHBondContact O-CA 3.46Å; I49-W219 WeakPolarHBondContact O-CB 3.29Å; V50-W219 HydrophobicContact CG2-CB 4.34Å; C190-W219 HydrophobicContact CB-CE3 4.36Å; V194-W219 HydrophobicContact CG2-CE3 3.84Å; V194-W219 HydrophobicContact CG2-CZ3 4.2Å; W219-V223 HydrophobicContact CD2-CG1 3.91Å; W219-V223 HydrophobicContact CE3-CG1 3.94Å; W219-V223 HydrophobicContact CG-CG1 4.46Å; W219-V223 HydrophobicContact CH2-CG1 4.33Å; W219-V223 HydrophobicContact CH2-CG2 3.89Å; W219-V223 HydrophobicContact CZ2-CG1 4.32Å; W219-V223 HydrophobicContact CZ2-CG2 4.17Å; W219-V223 HydrophobicContact CZ3-CG1 4.16Å; W219-V223 HydrophobicContact CZ3-CG2 4.26Å; W219-T224 HydrophobicContact CD2-CG2 4.39Å; W219-T224 HydrophobicContact CG-CG2 4.14Å; W219-H228 WeakPolarHBondContact O-CA 3.29Å; W219-H228 PolarHBondContact O-CD2 3.26Å; W219-E229 VanDerWaalsContact CD1-O 3.26Å; W219-E229 PolarHBondContact N-O 2.81Å; W219-E229 PolarHBondContact O-N 2.92Å; W219-V231 HydrophobicContact CB-CG2 4.43Å; W219-V231 HydrophobicContact CD2-CG2 3.93Å; W219-V231 HydrophobicContact CE3-CG2 4.13Å; W219-V231 HydrophobicContact CG-CG2 4.06Å; W219-P232 HydrophobicContact CZ2-CG 4.29Å; W219-I235 HydrophobicContact CH2-CD1 3.74Å; W219-I235 HydrophobicContact CZ2-CD1 4.32Å
220	V	98.6	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	121.8	168.7	57.5	0	0	0	0	107.7	G48 I49 H228	G48-V220 CarbonylContact C-O 3.52Å; G48-V220 VanDerWaalsContact CA-O 3.23Å; G48-V220 WeakPolarHBondContact CA-O 3.45Å; I49-V220 HydrophobicContact CB-CG1 4.03Å; I49-V220 HydrophobicContact CD1-CG1 4.02Å; I49-V220 PolarHBondContact N-O 3.16Å; I49-V220 PolarHBondContact O-N 3.36Å; V220-H228 HydrophobicContact CB-CB 4.06Å; V220-H228 HydrophobicContact CG2-CB 4.25Å
221	G	98.1	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	-170.6	-170.7	0	0	0	0	0	113.3	D47 Y144 V223 T224 N225 G226	D47-G221 CarbonylContact O-C 3.5Å; D47-G221 WeakPolarHBondContact O-CA 3.44Å; Y144-G221 VanDerWaalsContact CD1-C 3.42Å; G221-V223 PolarHBondContact O-N 2.61Å; G221-T224 PolarHBondContact N-OG1 3.17Å; G221-T224 VanDerWaalsContact N-OG1 3.16Å; G221-T224 PolarHBondContact O-N 2.88Å; G221-T224 VanDerWaalsContact O-N 3.11Å; G221-T224 PolarHBondContact O-OG1 3.11Å; G221-T224 VanDerWaalsContact O-OG1 3.08Å; G221-N225 PolarHBondContact O-N 3.09Å; G221-G226 PolarHBondContact O-N 3.09Å
222	E	97.9	Very high	98	Very high	119 Å²	119	39.3 Å²	39.3	56%	0.556	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-56.8	-39.4	173.5	-169.6	173.5	175	0	0	111.1	D47 Y144 T224 N225	D47-E222 HydrophobicContact CB-CB 4.15Å; D47-E222 PolarHBondContact O-N 3.44Å; Y144-E222 HydrophobicContact CE1-CB 4.25Å; E222-T224 PolarHBondContact O-N 2.83Å; E222-T224 VanDerWaalsContact O-N 3.11Å; E222-N225 PolarHBondContact O-N 3.39Å
223	V	97.2	Very high	98.1	Very high	52 Å²	52	42.3 Å²	42.3	32%	0.315	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57.6	-25.9	177.9	68.4	0	0	0	0	113.8	C190 W219 G221	C190-V223 HydrophobicContact CB-CG1 4.13Å; W219-V223 HydrophobicContact CD2-CG1 3.91Å; W219-V223 HydrophobicContact CE3-CG1 3.94Å; W219-V223 HydrophobicContact CG-CG1 4.46Å; W219-V223 HydrophobicContact CH2-CG1 4.33Å; W219-V223 HydrophobicContact CH2-CG2 3.89Å; W219-V223 HydrophobicContact CZ2-CG1 4.32Å; W219-V223 HydrophobicContact CZ2-CG2 4.17Å; W219-V223 HydrophobicContact CZ3-CG1 4.16Å; W219-V223 HydrophobicContact CZ3-CG2 4.26Å; G221-V223 PolarHBondContact O-N 2.61Å
224	T	97.9	Very high	98.1	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.037	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-111.1	11	178.4	58.3	0	0	0	0	113.3	W219 G221 E222 G226 R227 E229	W219-T224 HydrophobicContact CD2-CG2 4.39Å; W219-T224 HydrophobicContact CG-CG2 4.14Å; G221-T224 PolarHBondContact N-OG1 3.17Å; G221-T224 VanDerWaalsContact N-OG1 3.16Å; G221-T224 PolarHBondContact O-N 2.88Å; G221-T224 VanDerWaalsContact O-N 3.11Å; G221-T224 PolarHBondContact O-OG1 3.11Å; G221-T224 VanDerWaalsContact O-OG1 3.08Å; E222-T224 PolarHBondContact O-N 2.83Å; E222-T224 VanDerWaalsContact O-N 3.11Å; T224-G226 PolarHBondContact O-N 2.96Å; T224-R227 WeakPolarHBondContact CB-O 3.36Å; T224-R227 PolarHBondContact O-N 3.2Å; T224-R227 VanDerWaalsContact O-N 3.13Å; T224-R227 PolarHBondContact OG1-O 2.71Å; T224-E229 HydrophobicContact CG2-CB 4.31Å; T224-E229 HydrophobicContact CG2-CG 4.45Å
225	N	97.5	Very high	98.2	Very high	134 Å²	134	45 Å²	45	72%	0.717	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	-172.1	-58.5	-65.4	0	0	0	112.6	G221 E222 R227	G221-N225 PolarHBondContact O-N 3.09Å; E222-N225 PolarHBondContact O-N 3.39Å; N225-R227 VanDerWaalsContact C-N 3.27Å; N225-R227 PolarHBondContact O-N 3.41Å
226	G	97.4	Very high	98.1	Very high	9 Å²	9	46.6 Å²	46.6	9%	0.093	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	5.5	179.8	0	0	0	0	0	115.2	H76 Y144 G221 T224	H76-G226 WeakPolarHBondContact CA-O 3.46Å; H76-G226 VanDerWaalsContact CB-O 3.24Å; H76-G226 WeakPolarHBondContact CB-O 3.42Å; Y144-G226 WeakPolarHBondContact O-CA 3.33Å; G221-G226 PolarHBondContact O-N 3.09Å; T224-G226 PolarHBondContact O-N 2.96Å
227	R	98.4	Very high	98.1	Very high	140 Å²	140	51 Å²	51	53%	0.528	25%	0.248	S	C	.	.			trans	-86.3	137.5	173.1	-66.7	-163.9	-61.1	-129.4	-3.6	111.9	K75 T224 N225 E229	K75-R227 CarbonylContact O-C 3.44Å; K75-R227 VanDerWaalsContact O-CA 3.26Å; K75-R227 WeakPolarHBondContact O-CA 3.27Å; T224-R227 WeakPolarHBondContact CB-O 3.36Å; T224-R227 PolarHBondContact O-N 3.2Å; T224-R227 VanDerWaalsContact O-N 3.13Å; T224-R227 PolarHBondContact OG1-O 2.71Å; N225-R227 VanDerWaalsContact C-N 3.27Å; N225-R227 PolarHBondContact O-N 3.41Å; R227-E229 HydrophobicContact CB-CG 4.17Å; R227-E229 IonicContact CZ-OE1 3.7Å; R227-E229 IonicContact NE-OE1 3.04Å; R227-E229 PolarHBondContact NE-OE1 3.09Å; R227-E229 IonicContact NH2-OE1 3.47Å; R227-E229 PolarHBondContact NH2-OE1 3.39Å; R227-E229 PolarHBondContact O-N 2.94Å
228	H	98.7	Very high	98	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.023	27%	0.27	C	S	.	.			trans	-80.4	120.2	172	177.9	-101.6	0	0	0	110.5	F51 N72 K75 G78 S218 W219 V220	F51-H228 AromaticContact CD2-NE2 3.95Å; N72-H228 PolarHBondContact OD1-CE1 2.85Å; N72-H228 PolarHBondContact OD1-ND1 3.33Å; K75-H228 PolarHBondContact O-N 3.28Å; G78-H228 WeakPolarHBondContact CA-CD2 3.45Å; G78-H228 WeakPolarHBondContact CA-ND1 3.48Å; G78-H228 WeakPolarHBondContact CA-NE2 3.45Å; S218-H228 WeakPolarHBondContact CB-NE2 3.27Å; S218-H228 PolarHBondContact OG-NE2 2.93Å; S218-H228 VanDerWaalsContact OG-NE2 3.1Å; W219-H228 WeakPolarHBondContact O-CA 3.29Å; W219-H228 PolarHBondContact O-CD2 3.26Å; V220-H228 HydrophobicContact CB-CB 4.06Å; V220-H228 HydrophobicContact CG2-CB 4.25Å
229	E	98.6	Very high	98	Very high	69 Å²	69	55.8 Å²	55.8	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	-174.1	-60.1	179.3	-175.7	0	0	109.9	S218 W219 T224 R227	S218-E229 WeakPolarHBondContact CA-O 3.31Å; S218-E229 WeakPolarHBondContact CB-O 3.37Å; W219-E229 VanDerWaalsContact CD1-O 3.26Å; W219-E229 PolarHBondContact N-O 2.81Å; W219-E229 PolarHBondContact O-N 2.92Å; T224-E229 HydrophobicContact CG2-CB 4.31Å; T224-E229 HydrophobicContact CG2-CG 4.45Å; R227-E229 HydrophobicContact CB-CG 4.17Å; R227-E229 IonicContact CZ-OE1 3.7Å; R227-E229 IonicContact NE-OE1 3.04Å; R227-E229 PolarHBondContact NE-OE1 3.09Å; R227-E229 IonicContact NH2-OE1 3.47Å; R227-E229 PolarHBondContact NH2-OE1 3.39Å; R227-E229 PolarHBondContact O-N 2.94Å
230	F	98.6	Very high	98	Very high	71 Å²	71	57.4 Å²	57.4	31%	0.311	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.6	168	-77.2	-87.3	0	0	0	109.4	K68 I70 L217	K68-F230 HydrophobicContact CD-CE2 4.42Å; K68-F230 HydrophobicContact CD-CZ 3.9Å; I70-F230 HydrophobicContact CB-CE1 3.94Å; I70-F230 HydrophobicContact CB-CZ 4Å; I70-F230 HydrophobicContact CD1-CE1 4.39Å; I70-F230 HydrophobicContact CG2-CE1 4.17Å; I70-F230 HydrophobicContact CG2-CZ 4.12Å; L217-F230 WeakPolarHBondContact O-CD1 3.45Å
231	V	98.4	Very high	97.9	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.1	130.8	176.6	174.8	0	0	0	0	108.7	V194 L217 W219 I235 K236	V194-V231 HydrophobicContact CG1-CG1 4.28Å; V194-V231 HydrophobicContact CG2-CG2 4.08Å; L217-V231 HydrophobicContact CB-CB 3.84Å; L217-V231 HydrophobicContact CB-CG2 3.72Å; L217-V231 PolarHBondContact O-N 2.53Å; W219-V231 HydrophobicContact CB-CG2 4.43Å; W219-V231 HydrophobicContact CD2-CG2 3.93Å; W219-V231 HydrophobicContact CE3-CG2 4.13Å; W219-V231 HydrophobicContact CG-CG2 4.06Å; V231-I235 HydrophobicContact CG1-CB 3.72Å; V231-I235 HydrophobicContact CG1-CG2 3.68Å; V231-K236 HydrophobicContact CG1-CB 4.43Å
232	P	98.3	Very high	97.9	Very high	52 Å²	52	67.5 Å²	67.5	34%	0.338	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-55.3	148.4	176.6	-26	31.8	0	0	0	113.1	W219 D234 I235 K236	W219-P232 HydrophobicContact CZ2-CG 4.29Å; P232-D234 VanDerWaalsContact C-N 3.33Å; P232-D234 WeakPolarHBondContact CB-OD1 3.45Å; P232-D234 PolarHBondContact O-N 2.87Å; P232-I235 HydrophobicContact CB-CD1 3.85Å; P232-I235 HydrophobicContact CG-CD1 3.73Å; P232-I235 PolarHBondContact O-N 3Å; P232-I235 VanDerWaalsContact O-N 3.13Å; P232-K236 PolarHBondContact O-N 3.1Å
233	K	97.1	Very high	97.8	Very high	138 Å²	138	61.9 Å²	61.9	60%	0.6	29%	0.294	S	S	*	.	H	α-helix	trans	-58.3	-41.7	-169.7	-178.6	170.3	174.3	166	0	113.2	I235 K236 E237	K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 3.22Å; K233-K236 PolarHBondContact O-N 3.14Å; K233-E237 WeakPolarHBondContact CE-OE1 3.48Å; K233-E237 HydrophobicContact CG-CG 4.36Å; K233-E237 IonicContact NZ-OE1 2.68Å; K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 WeakPolarHBondContact O-CG 3.5Å; K233-E237 PolarHBondContact O-N 3.48Å
234	D	97.6	Very high	97.7	Very high	107 Å²	107	64 Å²	64	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-57.8	-44.1	177	54.6	-48.5	0	0	0	112.5	P232 E238	P232-D234 VanDerWaalsContact C-N 3.33Å; P232-D234 WeakPolarHBondContact CB-OD1 3.45Å; P232-D234 PolarHBondContact O-N 2.87Å; D234-E238 PolarHBondContact O-N 3.41Å
235	I	98.1	Very high	97.6	Very high	14 Å²	14	67 Å²	67	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-74.4	-37.6	-179.6	-57.9	152.6	0	0	0	110.5	R191 V194 W219 V231 P232 K233 E238 A239	R191-I235 VanDerWaalsContact NH1-CG1 3.28Å; V194-I235 HydrophobicContact CG1-CG2 4.08Å; W219-I235 HydrophobicContact CH2-CD1 3.74Å; W219-I235 HydrophobicContact CZ2-CD1 4.32Å; V231-I235 HydrophobicContact CG1-CB 3.72Å; V231-I235 HydrophobicContact CG1-CG2 3.68Å; P232-I235 HydrophobicContact CB-CD1 3.85Å; P232-I235 HydrophobicContact CG-CD1 3.73Å; P232-I235 PolarHBondContact O-N 3Å; P232-I235 VanDerWaalsContact O-N 3.13Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 3.22Å; I235-E238 PolarHBondContact O-N 3.15Å; I235-A239 WeakPolarHBondContact O-CB 3.1Å; I235-A239 PolarHBondContact O-N 3.3Å
236	K	97.8	Very high	97.3	Very high	34 Å²	34	61 Å²	61	15%	0.148	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-47.4	174.2	170.7	177.3	166.7	-176.5	0	110.6	L215 L217 V231 P232 K233 E238 A239 E240	L215-K236 WeakPolarHBondContact O-CE 3.23Å; L215-K236 PolarHBondContact O-NZ 3.38Å; L217-K236 HydrophobicContact CD1-CB 4.27Å; L217-K236 HydrophobicContact CD1-CG 4.1Å; V231-K236 HydrophobicContact CG1-CB 4.43Å; P232-K236 PolarHBondContact O-N 3.1Å; K233-K236 PolarHBondContact O-N 3.14Å; K236-E238 PolarHBondContact O-N 3.04Å; K236-A239 PolarHBondContact O-N 3.49Å; K236-E240 WeakPolarHBondContact CE-OE1 3.46Å; K236-E240 IonicContact NZ-OE1 3.73Å; K236-E240 WeakPolarHBondContact O-CG 3.5Å; K236-E240 PolarHBondContact O-N 3.06Å
237	E	97.6	Very high	96.9	Very high	101 Å²	101	62.6 Å²	62.6	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-40	178.1	-74.1	174.6	178.4	0	0	112	K233 A239 E240 K241	K233-E237 WeakPolarHBondContact CE-OE1 3.48Å; K233-E237 HydrophobicContact CG-CG 4.36Å; K233-E237 IonicContact NZ-OE1 2.68Å; K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 WeakPolarHBondContact O-CG 3.5Å; K233-E237 PolarHBondContact O-N 3.48Å; E237-A239 VanDerWaalsContact C-N 3.35Å; E237-E240 PolarHBondContact O-N 3.23Å; E237-K241 WeakPolarHBondContact O-CB 3.43Å; E237-K241 PolarHBondContact O-N 3.13Å
238	E	97.9	Very high	96.4	Very high	104 Å²	104	61.9 Å²	61.9	49%	0.486	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-42.3	173.5	-171.4	-171.6	160.4	0	0	111.9	K195 D234 I235 K236 K241 Y242	K195-E238 WeakPolarHBondContact CE-OE1 3.33Å; K195-E238 IonicContact NZ-OE1 2.71Å; K195-E238 PolarHBondContact NZ-OE1 3.4Å; D234-E238 PolarHBondContact O-N 3.41Å; I235-E238 PolarHBondContact O-N 3.15Å; K236-E238 PolarHBondContact O-N 3.04Å; E238-K241 PolarHBondContact O-N 3.39Å; E238-Y242 WeakPolarHBondContact O-CB 3.49Å; E238-Y242 PolarHBondContact O-N 3Å
239	A	98.2	Very high	95.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69	-39.4	178.8	0	0	0	0	0	112.6	V194 K195 A198 L217 I235 K236 E237 K241 Y242 A243	V194-A239 HydrophobicContact CG1-CB 3.82Å; K195-A239 HydrophobicContact CG-CB 4.46Å; A198-A239 HydrophobicContact CB-CB 3.83Å; L217-A239 HydrophobicContact CD1-CB 4.45Å; I235-A239 WeakPolarHBondContact O-CB 3.1Å; I235-A239 PolarHBondContact O-N 3.3Å; K236-A239 PolarHBondContact O-N 3.49Å; E237-A239 VanDerWaalsContact C-N 3.35Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-Y242 PolarHBondContact O-N 3.27Å; A239-A243 WeakPolarHBondContact O-CB 3.46Å; A239-A243 PolarHBondContact O-N 3.16Å
240	E	97.6	Very high	94.6	Very high	39 Å²	39	69.1 Å²	69.1	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-40.2	173.4	-74.3	-178.9	179.9	0	0	111.7	Y202 L215 K236 E237 A243 K244	Y202-E240 HydrophobicContact CE2-CB 4.45Å; Y202-E240 HydrophobicContact CE2-CG 4.19Å; L215-E240 HydrophobicContact CD2-CG 3.75Å; K236-E240 WeakPolarHBondContact CE-OE1 3.46Å; K236-E240 IonicContact NZ-OE1 3.73Å; K236-E240 WeakPolarHBondContact O-CG 3.5Å; K236-E240 PolarHBondContact O-N 3.06Å; E237-E240 PolarHBondContact O-N 3.23Å; E240-A243 PolarHBondContact O-N 3.48Å; E240-K244 WeakPolarHBondContact O-CG 3.42Å; E240-K244 PolarHBondContact O-N 3.4Å; E240-K244 VanDerWaalsContact O-N 3.13Å
241	K	97.5	Very high	93.5	Very high	134 Å²	134	70.8 Å²	70.8	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-51.3	174.8	-176.1	-179.3	175.2	-173	0	110.9	E237 E238 A239 A243 K244 D245	E237-K241 WeakPolarHBondContact O-CB 3.43Å; E237-K241 PolarHBondContact O-N 3.13Å; E238-K241 PolarHBondContact O-N 3.39Å; A239-K241 VanDerWaalsContact C-N 3.34Å; K241-A243 VanDerWaalsContact C-N 3.25Å; K241-A243 PolarHBondContact O-N 3.09Å; K241-K244 PolarHBondContact O-N 3.22Å; K241-K244 VanDerWaalsContact O-N 3.15Å; K241-D245 WeakPolarHBondContact CE-OD2 3.34Å; K241-D245 VanDerWaalsContact O-CG 3.23Å; K241-D245 PolarHBondContact O-N 3.35Å
242	Y	97.4	Very high	92.2	Very high	79 Å²	79	75.1 Å²	75.1	31%	0.31	36%	0.361	S	S	.	.	H	α-helix	trans	-54.5	-42.2	176.8	172.6	-95.9	0	0	0	112.7	K195 K199 E238 A239 S246	K195-Y242 HydrophobicContact CB-CD1 3.65Å; K195-Y242 HydrophobicContact CB-CE1 3.97Å; K195-Y242 HydrophobicContact CB-CG 4.18Å; K195-Y242 HydrophobicContact CD-CG 4.31Å; K195-Y242 HydrophobicContact CG-CD1 4.45Å; K199-Y242 HydrophobicContact CB-CD1 4.48Å; K199-Y242 HydrophobicContact CB-CE1 4.15Å; K199-Y242 HydrophobicContact CD-CE1 4.21Å; E238-Y242 WeakPolarHBondContact O-CB 3.49Å; E238-Y242 PolarHBondContact O-N 3Å; A239-Y242 PolarHBondContact O-N 3.27Å; Y242-S246 WeakPolarHBondContact O-CB 3.4Å; Y242-S246 PolarHBondContact O-N 2.69Å; Y242-S246 PolarHBondContact O-OG 3.07Å
243	A	96.6	Very high	90.6	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-40.8	179.4	0	0	0	0	0	112.8	A198 K199 Y202 A239 E240 K241 L247	A198-A243 HydrophobicContact CB-CB 4.11Å; K199-A243 HydrophobicContact CB-CB 4.38Å; Y202-A243 HydrophobicContact CD2-CB 3.43Å; Y202-A243 VanDerWaalsContact CD2-CB 3.43Å; Y202-A243 HydrophobicContact CE2-CB 4.01Å; Y202-A243 HydrophobicContact CG-CB 3.9Å; A239-A243 WeakPolarHBondContact O-CB 3.46Å; A239-A243 PolarHBondContact O-N 3.16Å; E240-A243 PolarHBondContact O-N 3.48Å; K241-A243 VanDerWaalsContact C-N 3.25Å; K241-A243 PolarHBondContact O-N 3.09Å; A243-L247 PolarHBondContact O-N 2.9Å
244	K	94.6	Very high	89.1	Confident	97 Å²	97	73.7 Å²	73.7	42%	0.422	36%	0.362	S	S	.	.	H	α-helix	trans	-70.7	-47.2	177.6	-70	171.5	-176	171.9	0	111.9	Y202 E240 K241 S246 L247 E248	Y202-K244 HydrophobicContact CD1-CG 4.42Å; Y202-K244 HydrophobicContact CE1-CG 4.01Å; Y202-K244 WeakPolarHBondContact OH-CE 3.18Å; E240-K244 WeakPolarHBondContact O-CG 3.42Å; E240-K244 PolarHBondContact O-N 3.4Å; E240-K244 VanDerWaalsContact O-N 3.13Å; K241-K244 PolarHBondContact O-N 3.22Å; K241-K244 VanDerWaalsContact O-N 3.15Å; K244-S246 PolarHBondContact O-N 2.8Å; K244-L247 WeakPolarHBondContact O-CB 3.44Å; K244-L247 PolarHBondContact O-N 3.44Å; K244-E248 PolarHBondContact O-N 3.13Å; K244-E248 VanDerWaalsContact O-N 3.15Å
245	D	95.1	Very high	87.3	Confident	68 Å²	68	76 Å²	76	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-38.3	177.5	-62.6	-4.6	0	0	0	110.2	K241 L247 E248 E249	K241-D245 WeakPolarHBondContact CE-OD2 3.34Å; K241-D245 VanDerWaalsContact O-CG 3.23Å; K241-D245 PolarHBondContact O-N 3.35Å; D245-L247 VanDerWaalsContact C-N 3.35Å; D245-L247 PolarHBondContact O-N 3.19Å; D245-E248 PolarHBondContact O-N 2.87Å; D245-E249 WeakPolarHBondContact O-CG 3.39Å; D245-E249 PolarHBondContact O-N 2.86Å
246	S	92.2	Very high	85.4	Confident	10 Å²	10	82.3 Å²	82.3	7%	0.07	40%	0.403	C	S	.	.	H	α-helix	trans	-68.6	-27	177.4	-60.5	0	0	0	0	114.6	Y242 K244 E250	Y242-S246 WeakPolarHBondContact O-CB 3.4Å; Y242-S246 PolarHBondContact O-N 2.69Å; Y242-S246 PolarHBondContact O-OG 3.07Å; K244-S246 PolarHBondContact O-N 2.8Å; S246-E250 WeakPolarHBondContact O-CG 3.14Å; S246-E250 PolarHBondContact O-N 2.71Å
247	L	89.6	Confident	83.1	Confident	42 Å²	42	87.2 Å²	87.2	22%	0.22	43%	0.431	C	S	.	.	H	α-helix	trans	-77.3	-41.6	176.7	-80.6	163.7	0	0	0	110.6	Y202 I203 A243 K244 D245 E249 E250 D251	Y202-L247 HydrophobicContact CD1-CD1 4.21Å; Y202-L247 HydrophobicContact CG-CD1 4.39Å; I203-L247 HydrophobicContact CG1-CD2 4.07Å; A243-L247 PolarHBondContact O-N 2.9Å; K244-L247 WeakPolarHBondContact O-CB 3.44Å; K244-L247 PolarHBondContact O-N 3.44Å; D245-L247 VanDerWaalsContact C-N 3.35Å; D245-L247 PolarHBondContact O-N 3.19Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 3.26Å; L247-E250 PolarHBondContact O-N 2.72Å; L247-D251 PolarHBondContact O-N 3.45Å; L247-D251 VanDerWaalsContact O-N 3.08Å
248	E	87.4	Confident	80.7	Confident	124 Å²	124	93.3 Å²	93.3	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-61.6	-41.8	176.8	-66.8	178.4	-177.7	0	0	111.4	K244 D245 E250 D251 D252	K244-E248 PolarHBondContact O-N 3.13Å; K244-E248 VanDerWaalsContact O-N 3.15Å; D245-E248 PolarHBondContact O-N 2.87Å; E248-E250 VanDerWaalsContact C-N 3.35Å; E248-E250 PolarHBondContact O-N 3.13Å; E248-D251 PolarHBondContact O-N 3.42Å; E248-D252 PolarHBondContact O-N 3.46Å
249	E	83.2	Confident	79.9	Confident	143 Å²	143	92.8 Å²	92.8	67%	0.668	46%	0.461	S	S	*	.	H	α-helix	trans	-64.9	-34.3	176.8	-73	-178.8	-178.7	0	0	113.5	D245 L247 S253	D245-E249 WeakPolarHBondContact O-CG 3.39Å; D245-E249 PolarHBondContact O-N 2.86Å; L247-E249 VanDerWaalsContact C-N 3.34Å; L247-E249 PolarHBondContact O-N 3.26Å; E249-S253 WeakPolarHBondContact O-CB 3.01Å; E249-S253 PolarHBondContact O-N 2.59Å; E249-S253 PolarHBondContact O-OG 2.75Å
250	E	75.9	Confident	78.9	Confident	84 Å²	84	97.7 Å²	97.7	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-71.3	-43.6	177.3	-76.9	177.7	-160	0	0	110.6	K199 S246 L247 E248 S253 D254	K199-E250 IonicContact NZ-OE1 3.82Å; K199-E250 PolarHBondContact NZ-OE1 2.87Å; S246-E250 WeakPolarHBondContact O-CG 3.14Å; S246-E250 PolarHBondContact O-N 2.71Å; L247-E250 PolarHBondContact O-N 2.72Å; E248-E250 VanDerWaalsContact C-N 3.35Å; E248-E250 PolarHBondContact O-N 3.13Å; E250-S253 PolarHBondContact O-N 2.87Å; E250-S253 PolarHBondContact O-OG 3.09Å; E250-D254 PolarHBondContact O-N 2.93Å
251	D	75	Confident	77.8	Confident	105 Å²	105	100.9 Å²	100.9	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-63.3	-45	178	-73.7	-19.5	0	0	0	112.4	L247 E248 S253 D254 E255	L247-D251 PolarHBondContact O-N 3.45Å; L247-D251 VanDerWaalsContact O-N 3.08Å; E248-D251 PolarHBondContact O-N 3.42Å; D251-S253 VanDerWaalsContact C-N 3.28Å; D251-S253 PolarHBondContact O-N 3.48Å; D251-D254 PolarHBondContact O-N 3.29Å; D251-E255 PolarHBondContact O-N 3.41Å
252	D	71.3	Confident	76.7	Confident	103 Å²	103	99 Å²	99	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-62.7	-35.8	177.6	-78.8	-11.6	0	0	0	111.7	E248 D254 E255 D256	E248-D252 PolarHBondContact O-N 3.46Å; D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 PolarHBondContact O-N 3.24Å; D252-E255 PolarHBondContact O-N 3.28Å; D252-D256 PolarHBondContact O-N 3.33Å; D252-D256 VanDerWaalsContact O-N 3.17Å
253	S	66.1	Low	75.4	Confident	53 Å²	53	100.3 Å²	100.3	37%	0.371	51%	0.509	S	S	.	.	H	α-helix	trans	-71.5	-27	-179.7	78	0	0	0	0	113.8	E249 E250 D251 N257	E249-S253 WeakPolarHBondContact O-CB 3.01Å; E249-S253 PolarHBondContact O-N 2.59Å; E249-S253 PolarHBondContact O-OG 2.75Å; E250-S253 PolarHBondContact O-N 2.87Å; E250-S253 PolarHBondContact O-OG 3.09Å; D251-S253 VanDerWaalsContact C-N 3.28Å; D251-S253 PolarHBondContact O-N 3.48Å; S253-N257 PolarHBondContact O-ND2 2.71Å
254	D	63.9	Low	74	Confident	107 Å²	107	106.9 Å²	106.9	57%	0.572	54%	0.543	S	S	*	.	H	α-helix	trans	-81	-31.1	176	-83.1	-14.5	0	0	0	111.6	E250 D251 D252	E250-D254 PolarHBondContact O-N 2.93Å; D251-D254 PolarHBondContact O-N 3.29Å; D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 PolarHBondContact O-N 3.24Å
255	E	59.8	Low	72.5	Confident	154 Å²	154	107.6 Å²	107.6	72%	0.72	55%	0.551	S	S	*	*	H	α-helix	trans	-70.3	-39	173.3	-72.2	-162.9	168.7	0	0	112.8	D251 D252 N257 M258	D251-E255 PolarHBondContact O-N 3.41Å; D252-E255 PolarHBondContact O-N 3.28Å; E255-N257 PolarHBondContact O-N 3.46Å; E255-M258 PolarHBondContact O-N 3.08Å
256	D	58.1	Low	70.8	Confident	147 Å²	147	110.7 Å²	110.7	79%	0.786	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-15.2	178.5	-87.3	-17.3	0	0	0	113.7	D252	D252-D256 PolarHBondContact O-N 3.33Å; D252-D256 VanDerWaalsContact O-N 3.17Å
257	N	50.4	Low	69	Low	138 Å²	138	119.1 Å²	119.1	74%	0.738	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	4.3	-179.9	-76.8	-48	0	0	0	114.3	S253 E255	S253-N257 PolarHBondContact O-ND2 2.71Å; E255-N257 PolarHBondContact O-N 3.46Å
258	M	47.4	Very low	67.1	Low	229 Å²	229	126.1 Å²	126.1	100%	1.128	64%	0.642	S	S	*	*			trans	-101.3	0	172.9	-72.1	-161.1	-169.8	0	0	113.3	E255	E255-M258 PolarHBondContact O-N 3.08Å

Retrieved 258 of 258 residues in 498.9 ms (Link to these results)

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