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GTP-binding nuclear protein Ran-3

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle (By similarity).

AlphaFold DB , UniProt , Accession Q8H156, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene RAN3, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	63.3	Low	204 Å²	204	110.7 Å²	110.7	100%	1.005	61%	0.609	S	S	*	*				0	118.5	0	-81.7	-176.9	-105.7	0	0	108.2
2	A	41.4	Very low	66	Low	79 Å²	79	107.8 Å²	107.8	65%	0.653	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-61.6	138.7	165.2	0	0	0	0	0	107.9
3	L	49.2	Very low	68.4	Low	70 Å²	70	102.9 Å²	102.9	37%	0.366	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-58.6	139.8	174.5	-70.1	170.2	0	0	0	108.7	N5 Q6 V50 W67	L3-N5 PolarHBondContact O-N 3.16Å; L3-Q6 PolarHBondContact O-N 3.41Å; L3-V50 HydrophobicContact CD1-CB 4.01Å; L3-V50 HydrophobicContact CD1-CG2 3.27Å; L3-W67 HydrophobicContact CD1-CH2 4.31Å; L3-W67 HydrophobicContact CD1-CZ2 4.49Å; L3-W67 HydrophobicContact CG-CH2 3.93Å; L3-W67 HydrophobicContact CG-CZ2 4.28Å
4	P	40.8	Very low	70.4	Confident	115 Å²	115	97.7 Å²	97.7	75%	0.747	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	135	176.5	4.6	-1.9	0	0	0	109.2
5	N	52	Low	72.2	Confident	164 Å²	164	92.8 Å²	92.8	88%	0.877	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	14.5	179	-52.5	-21.2	0	0	0	118.6	L3 Q7	L3-N5 PolarHBondContact O-N 3.16Å; N5-Q7 PolarHBondContact O-N 3.49Å; N5-Q7 VanDerWaalsContact O-N 3.17Å
6	Q	59.1	Low	73.8	Confident	50 Å²	50	87.1 Å²	87.1	23%	0.234	48%	0.484	C	S	.	.			trans	-74.5	107.4	164.5	-69.8	-166.4	-45.9	0	0	110.3	L3 T8 Y65	L3-Q6 PolarHBondContact O-N 3.41Å; Q6-T8 PolarHBondContact O-N 2.82Å; Q6-Y65 HydrophobicContact CB-CE1 4.19Å; Q6-Y65 HydrophobicContact CG-CD1 4.49Å; Q6-Y65 HydrophobicContact CG-CE1 4.43Å; Q6-Y65 VanDerWaalsContact NE2-CD1 3.32Å
7	Q	63.8	Low	75.2	Confident	161 Å²	161	81.9 Å²	81.9	75%	0.752	46%	0.456	S	S	*	.			trans	-53.3	114.3	171.4	-89	-179	-16.2	0	0	109.2	N5 Y65	N5-Q7 PolarHBondContact O-N 3.49Å; N5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-Y65 PolarHBondContact O-OH 3.05Å
8	T	76.1	Confident	76.4	Confident	134 Å²	134	77.4 Å²	77.4	82%	0.822	43%	0.431	S	S	*	.			trans	-64.5	131.7	169.4	48.7	0	0	0	0	108.7	Q6	Q6-T8 PolarHBondContact O-N 2.82Å
9	V	90.1	Very high	77.4	Confident	34 Å²	34	73.4 Å²	73.4	21%	0.206	41%	0.408	C	S	.	.			trans	-100.4	157.3	177.6	-67.5	0	0	0	0	110.6	Y11	V9-Y11 VanDerWaalsContact C-N 3.34Å; V9-Y11 HydrophobicContact CB-CD1 3.99Å; V9-Y11 HydrophobicContact CB-CD2 4.37Å; V9-Y11 HydrophobicContact CB-CE1 3.63Å; V9-Y11 HydrophobicContact CB-CE2 4.1Å; V9-Y11 HydrophobicContact CB-CG 4.33Å; V9-Y11 HydrophobicContact CG1-CE1 3.86Å; V9-Y11 HydrophobicContact CG1-CE2 4.27Å; V9-Y11 WeakPolarHBondContact CG1-OH 3.4Å; V9-Y11 HydrophobicContact CG2-CD2 4.11Å; V9-Y11 HydrophobicContact CG2-CE1 4.39Å; V9-Y11 HydrophobicContact CG2-CE2 3.99Å; V9-Y11 HydrophobicContact CG2-CG 4.4Å; V9-Y11 WeakPolarHBondContact CG2-O 3.5Å
10	D	92.8	Very high	78.3	Confident	160 Å²	160	69.7 Å²	69.7	86%	0.856	39%	0.387	S	S	*	.	S	Bend	trans	-88.9	2.6	178.5	61.9	-28.3	0	0	0	113.7
11	Y	94.5	Very high	79.1	Confident	47 Å²	47	67.4 Å²	67.4	18%	0.184	38%	0.375	C	S	.	.	S	Bend	trans	-118.1	166.1	175.5	52.1	-91.2	0	0	0	111.5	V9 S13 D54 K61 R63	V9-Y11 VanDerWaalsContact C-N 3.34Å; V9-Y11 HydrophobicContact CB-CD1 3.99Å; V9-Y11 HydrophobicContact CB-CD2 4.37Å; V9-Y11 HydrophobicContact CB-CE1 3.63Å; V9-Y11 HydrophobicContact CB-CE2 4.1Å; V9-Y11 HydrophobicContact CB-CG 4.33Å; V9-Y11 HydrophobicContact CG1-CE1 3.86Å; V9-Y11 HydrophobicContact CG1-CE2 4.27Å; V9-Y11 WeakPolarHBondContact CG1-OH 3.4Å; V9-Y11 HydrophobicContact CG2-CD2 4.11Å; V9-Y11 HydrophobicContact CG2-CE1 4.39Å; V9-Y11 HydrophobicContact CG2-CE2 3.99Å; V9-Y11 HydrophobicContact CG2-CG 4.4Å; V9-Y11 WeakPolarHBondContact CG2-O 3.5Å; Y11-S13 PolarHBondContact O-N 2.87Å; Y11-D54 PolarHBondContact OH-OD1 2.91Å; Y11-D54 PolarHBondContact OH-OD2 3.03Å; Y11-K61 HydrophobicContact CD1-CD 4.39Å; Y11-K61 HydrophobicContact CD2-CB 4.09Å; Y11-K61 HydrophobicContact CD2-CD 4.3Å; Y11-K61 HydrophobicContact CD2-CG 3.96Å; Y11-K61 WeakPolarHBondContact CD2-O 3.38Å; Y11-K61 HydrophobicContact CE1-CD 3.94Å; Y11-K61 HydrophobicContact CE2-CB 4.35Å; Y11-K61 HydrophobicContact CE2-CD 3.77Å; Y11-K61 HydrophobicContact CE2-CG 3.72Å; Y11-K61 HydrophobicContact CG-CB 4.24Å; Y11-K61 HydrophobicContact CG-CG 4.46Å; Y11-K61 WeakPolarHBondContact OH-CE 3.5Å; Y11-K61 PolarHBondContact OH-NZ 3.3Å; Y11-R63 HydrophobicContact CD2-CB 4.48Å; Y11-R63 HydrophobicContact CE2-CB 3.78Å; Y11-R63 VanDerWaalsContact OH-CZ 3.29Å; Y11-R63 PolarHBondContact OH-NE 3.37Å; Y11-R63 PolarHBondContact OH-NH2 2.88Å
12	P	96	Very high	81.8	Confident	76 Å²	76	58.5 Å²	58.5	49%	0.494	34%	0.335	S	S	.	.			trans	-54.6	130.4	-176.8	-27.3	35.6	0	0	0	112.5	F14 I62 R63	P12-F14 HydrophobicContact CB-CE2 4.06Å; P12-F14 HydrophobicContact CB-CZ 4.18Å; P12-I62 HydrophobicContact CB-CG2 4.34Å; P12-I62 WeakPolarHBondContact O-CA 3.18Å; P12-R63 PolarHBondContact O-N 2.96Å
13	S	96.4	Very high	84.3	Confident	44 Å²	44	56 Å²	56	31%	0.308	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.5	176	64.2	0	0	0	0	111.7	Y11 R63	Y11-S13 PolarHBondContact O-N 2.87Å; S13-R63 CarbonylContact C-O 3.54Å; S13-R63 WeakPolarHBondContact CA-O 3.45Å
14	F	97.3	Very high	86.6	Confident	30 Å²	30	52.6 Å²	52.6	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.1	-173.3	-55.2	-80.8	0	0	0	110.9	P12 L16 R63 F64 Y65 Q87 L171	P12-F14 HydrophobicContact CB-CE2 4.06Å; P12-F14 HydrophobicContact CB-CZ 4.18Å; F14-L16 PolarHBondContact O-N 3.46Å; F14-R63 PolarHBondContact N-O 3.37Å; F14-F64 HydrophobicContact CB-CD1 3.89Å; F14-F64 HydrophobicContact CB-CE1 4.01Å; F14-F64 HydrophobicContact CD2-CE1 4.26Å; F14-F64 HydrophobicContact CG-CE1 4.44Å; F14-F64 CarbonylContact O-C 3.48Å; F14-F64 WeakPolarHBondContact O-CA 3.33Å; F14-Y65 PolarHBondContact O-N 3.23Å; F14-Q87 VanDerWaalsContact CA-OE1 3.27Å; F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.19Å; F14-L171 HydrophobicContact CD1-CD1 3.85Å; F14-L171 HydrophobicContact CD1-CD2 4Å; F14-L171 HydrophobicContact CD1-CG 4.24Å; F14-L171 HydrophobicContact CD2-CD1 4.05Å; F14-L171 HydrophobicContact CE1-CB 3.84Å; F14-L171 HydrophobicContact CE1-CD1 4.34Å; F14-L171 HydrophobicContact CE1-CD2 4.27Å; F14-L171 HydrophobicContact CE1-CG 4.38Å; F14-L171 HydrophobicContact CE2-CB 4.37Å; F14-L171 HydrophobicContact CG-CD1 3.69Å; F14-L171 HydrophobicContact CZ-CB 3.94Å
15	K	97	Very high	89.2	Confident	24 Å²	24	47.8 Å²	47.8	10%	0.104	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	114.4	167.4	179.9	169.5	170.4	174.1	0	109.6	W67 Y82 I84 Q87 C88	K15-W67 HydrophobicContact CD-CD2 4.44Å; K15-W67 HydrophobicContact CD-CZ2 4.37Å; K15-W67 HydrophobicContact CG-CG 4.43Å; K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.04Å; K15-Y82 PolarHBondContact NZ-O 3.49Å; K15-I84 PolarHBondContact NZ-O 2.89Å; K15-Q87 PolarHBondContact O-N 3.26Å; K15-C88 PolarHBondContact O-N 3.14Å
16	L	98.2	Very high	91.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.4	172	-176.4	149.1	0	0	0	109.1	F14 I18 F64 Y65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.46Å; L16-I18 HydrophobicContact CD2-CB 4.17Å; L16-F64 HydrophobicContact CB-CB 4.22Å; L16-F64 HydrophobicContact CB-CD1 3.94Å; L16-F64 HydrophobicContact CB-CG 4.45Å; L16-F64 HydrophobicContact CD1-CD1 3.92Å; L16-F64 HydrophobicContact CD1-CE1 4.34Å; L16-F64 HydrophobicContact CD1-CG 4.23Å; L16-Y65 PolarHBondContact N-O 3.02Å; L16-C66 HydrophobicContact CD2-CB 4.32Å; L16-C66 CarbonylContact O-C 3.57Å; L16-C66 WeakPolarHBondContact O-CA 3.35Å; L16-W67 PolarHBondContact O-N 3.48Å; L16-C88 WeakPolarHBondContact CA-O 3.45Å; L16-I90 HydrophobicContact CD1-CD1 4.06Å; L16-I90 HydrophobicContact CD1-CG1 4.29Å; L16-I90 HydrophobicContact CD2-CD1 4.29Å; L16-I90 HydrophobicContact CD2-CG1 4.38Å; L16-F164 HydrophobicContact CD1-CD1 4.06Å; L16-F164 HydrophobicContact CD1-CE1 3.76Å; L16-L167 HydrophobicContact CD1-CD1 3.53Å; L16-L167 HydrophobicContact CG-CD1 4.44Å
17	V	96.8	Very high	93.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.6	173.2	-171.6	0	0	0	0	108.7	V19 T69 Y83 C88 A89 I90 L111	V17-V19 HydrophobicContact CG1-CG1 3.67Å; V17-T69 HydrophobicContact CG1-CG2 4.11Å; V17-Y83 HydrophobicContact CG1-CD1 3.63Å; V17-Y83 HydrophobicContact CG1-CE1 3.88Å; V17-C88 PolarHBondContact N-O 3.2Å; V17-A89 HydrophobicContact CB-CB 4.43Å; V17-A89 CarbonylContact O-C 3.55Å; V17-A89 WeakPolarHBondContact O-CA 3.34Å; V17-A89 VanDerWaalsContact O-CB 3.32Å; V17-A89 WeakPolarHBondContact O-CB 2.95Å; V17-I90 PolarHBondContact O-N 2.84Å; V17-L111 HydrophobicContact CB-CD1 4.48Å; V17-L111 HydrophobicContact CG1-CD1 4.5Å
18	I	97	Very high	94.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.9	171.9	-169.4	172	0	0	0	109.7	L16 K26 F29 V30 W67 D68 T69 I90 M92	L16-I18 HydrophobicContact CD2-CB 4.17Å; I18-K26 HydrophobicContact CD1-CB 3.87Å; I18-K26 HydrophobicContact CD1-CG 4.09Å; I18-K26 HydrophobicContact CG1-CB 4.09Å; I18-K26 HydrophobicContact CG1-CD 4.04Å; I18-K26 HydrophobicContact CG1-CG 3.94Å; I18-K26 HydrophobicContact CG2-CB 4.45Å; I18-F29 HydrophobicContact CD1-CD1 4.01Å; I18-V30 HydrophobicContact CD1-CG2 4.14Å; I18-V30 HydrophobicContact CG2-CG2 4.2Å; I18-W67 WeakPolarHBondContact CG2-O 3.34Å; I18-W67 PolarHBondContact N-O 2.87Å; I18-D68 VanDerWaalsContact CG2-CA 3.44Å; I18-D68 HydrophobicContact CG2-CB 4.04Å; I18-T69 PolarHBondContact O-N 2.95Å; I18-T69 PolarHBondContact O-OG1 2.9Å; I18-I90 WeakPolarHBondContact CA-O 3.48Å; I18-I90 HydrophobicContact CB-CB 4.48Å; I18-I90 HydrophobicContact CD1-CB 4.45Å; I18-I90 HydrophobicContact CD1-CG2 4.25Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.1Å; I18-M92 HydrophobicContact CD1-CE 3.95Å
19	V	95.8	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	164.3	-174.7	-58.1	0	0	0	0	111	V17 K26 Y83 I90 I91 M92 W107	V17-V19 HydrophobicContact CG1-CG1 3.67Å; V19-K26 VanDerWaalsContact C-CD 3.48Å; V19-Y83 HydrophobicContact CG1-CD1 4.46Å; V19-Y83 HydrophobicContact CG1-CE1 3.52Å; V19-I90 PolarHBondContact N-O 2.83Å; V19-I91 HydrophobicContact CG2-CB 4.24Å; V19-I91 HydrophobicContact CG2-CG1 3.73Å; V19-I91 HydrophobicContact CG2-CG2 4.3Å; V19-I91 WeakPolarHBondContact O-CA 3.37Å; V19-M92 PolarHBondContact O-N 2.66Å; V19-W107 HydrophobicContact CB-CD2 4.39Å; V19-W107 HydrophobicContact CB-CE3 3.73Å; V19-W107 HydrophobicContact CB-CZ3 4.05Å; V19-W107 HydrophobicContact CG1-CE3 4.42Å; V19-W107 HydrophobicContact CG2-CB 4.26Å; V19-W107 HydrophobicContact CG2-CE3 4.3Å
20	G	95.8	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.			trans	138.3	166	-177.1	0	0	0	0	0	111.5	K26 G71 M92 W107	G20-K26 PolarHBondContact O-NZ 3.3Å; G20-G71 WeakPolarHBondContact O-CA 3.31Å; G20-M92 WeakPolarHBondContact CA-O 3.45Å; G20-W107 VanDerWaalsContact O-CZ2 3.23Å; G20-W107 WeakPolarHBondContact O-CZ2 3.34Å
21	D	95	Very high	95.8	Very high	22 Å²	22	19.9 Å²	19.9	12%	0.118	12%	0.12	C	C	.	.			trans	-55.9	156.8	-176.6	-78.9	15.9	0	0	0	112.8	T24 K26 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.86Å; D21-T24 WeakPolarHBondContact O-CB 3.29Å; D21-T24 VanDerWaalsContact O-CG2 3.26Å; D21-T24 WeakPolarHBondContact O-CG2 3.3Å; D21-T24 PolarHBondContact O-N 2.75Å; D21-T24 PolarHBondContact O-OG1 3.23Å; D21-K26 PolarHBondContact O-NZ 3.25Å; D21-T100 HydrophobicContact CB-CG2 3.82Å; D21-T100 WeakPolarHBondContact OD2-CA 3.31Å; D21-N103 WeakPolarHBondContact OD1-CB 3.24Å; D21-N103 PolarHBondContact OD1-ND2 3.38Å; D21-N103 PolarHBondContact OD2-ND2 3.41Å; D21-W107 PolarHBondContact OD1-NE1 3Å
22	G	93.8	Very high	95.7	Very high	17 Å²	17	17.8 Å²	17.8	18%	0.175	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	145.1	171.6	0	0	0	0	0	111.4	T24 G71	G22-T24 PolarHBondContact O-N 3.01Å; G22-G71 PolarHBondContact N-O 2.95Å
23	G	93.9	Very high	95.6	Very high	25 Å²	25	15.1 Å²	15.1	26%	0.258	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-0.1	179.9	0	0	0	0	0	115.8	G25 Y42 K126	G23-G25 PolarHBondContact O-N 3.07Å; G23-Y42 PolarHBondContact N-OH 2.9Å; G23-K126 WeakPolarHBondContact O-CE 3.38Å; G23-K126 PolarHBondContact O-NZ 3.31Å
24	T	96.4	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-68.1	-20.9	175.9	50	0	0	0	0	113.7	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.86Å; D21-T24 WeakPolarHBondContact O-CB 3.29Å; D21-T24 VanDerWaalsContact O-CG2 3.26Å; D21-T24 WeakPolarHBondContact O-CG2 3.3Å; D21-T24 PolarHBondContact O-N 2.75Å; D21-T24 PolarHBondContact O-OG1 3.23Å; G22-T24 PolarHBondContact O-N 3.01Å; T24-D94 HydrophobicContact CG2-CB 4.3Å; T24-T100 HydrophobicContact CG2-CG2 3.92Å; T24-N125 PolarHBondContact O-ND2 2.93Å
25	G	96.2	Very high	95.1	Very high	13 Å²	13	19 Å²	19	13%	0.134	11%	0.114	C	C	.	.	S	Bend	trans	104.1	17.2	176.3	0	0	0	0	0	115.6	G23 T28 F29 M92	G23-G25 PolarHBondContact O-N 3.07Å; G25-T28 PolarHBondContact O-N 3.02Å; G25-F29 VanDerWaalsContact O-CB 3.3Å; G25-F29 WeakPolarHBondContact O-CB 3.33Å; G25-F29 PolarHBondContact O-N 3.11Å; G25-M92 VanDerWaalsContact C-SD 3.6Å
26	K	96.4	Very high	94.7	Very high	8 Å²	8	18 Å²	18	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-52.6	-55.3	178	-59.3	-176.3	-57.8	-69.9	0	112.9	I18 V19 G20 D21 T28 F29 V30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.87Å; I18-K26 HydrophobicContact CD1-CG 4.09Å; I18-K26 HydrophobicContact CG1-CB 4.09Å; I18-K26 HydrophobicContact CG1-CD 4.04Å; I18-K26 HydrophobicContact CG1-CG 3.94Å; I18-K26 HydrophobicContact CG2-CB 4.45Å; V19-K26 VanDerWaalsContact C-CD 3.48Å; G20-K26 PolarHBondContact O-NZ 3.3Å; D21-K26 PolarHBondContact O-NZ 3.25Å; K26-T28 PolarHBondContact O-N 2.65Å; K26-F29 WeakPolarHBondContact O-CB 3.45Å; K26-F29 PolarHBondContact O-N 2.91Å; K26-F29 VanDerWaalsContact O-N 3.16Å; K26-V30 WeakPolarHBondContact O-CG2 3.46Å; K26-V30 PolarHBondContact O-N 3.46Å; K26-D68 VanDerWaalsContact CB-OD1 3.29Å; K26-D68 WeakPolarHBondContact CB-OD1 3.49Å; K26-T69 WeakPolarHBondContact CE-O 3.31Å; K26-M92 HydrophobicContact CG-CB 4.03Å; K26-M92 HydrophobicContact CG-SD 4.07Å
27	T	95	Very high	94.2	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.153	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-45.8	179.1	-46	0	0	0	0	111.8	F29 V30 K31 T45 D68	T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.23Å; T27-V30 PolarHBondContact O-N 3.45Å; T27-K31 HydrophobicContact CG2-CD 4.04Å; T27-K31 HydrophobicContact CG2-CG 4.3Å; T27-K31 WeakPolarHBondContact O-CB 3.21Å; T27-K31 WeakPolarHBondContact O-CG 3.45Å; T27-K31 PolarHBondContact O-N 2.91Å; T27-T45 PolarHBondContact OG1-OG1 3.07Å; T27-D68 VanDerWaalsContact CA-OD2 3.23Å; T27-D68 WeakPolarHBondContact CA-OD2 3.32Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.14Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.45Å; T27-D68 PolarHBondContact OG1-OD2 2.7Å
28	T	95.6	Very high	93.7	Very high	27 Å²	27	26.4 Å²	26.4	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-43	176	-50.9	0	0	0	0	111.3	G25 K26 R32 F38 E39 A154	G25-T28 PolarHBondContact O-N 3.02Å; K26-T28 PolarHBondContact O-N 2.65Å; T28-R32 WeakPolarHBondContact O-CB 3.23Å; T28-R32 PolarHBondContact O-N 2.92Å; T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.4Å; T28-F38 VanDerWaalsContact CG2-CE2 3.4Å; T28-F38 HydrophobicContact CG2-CG 4.48Å; T28-F38 HydrophobicContact CG2-CZ 4.21Å; T28-E39 HydrophobicContact CG2-CB 4.31Å; T28-A154 HydrophobicContact CG2-CB 4.19Å
29	F	96.3	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-41.9	178.6	178.3	-104.1	0	0	0	112.7	I18 G25 K26 T27 H33 I90 M92 I152 A154 F160 P163 F164	I18-F29 HydrophobicContact CD1-CD1 4.01Å; G25-F29 VanDerWaalsContact O-CB 3.3Å; G25-F29 WeakPolarHBondContact O-CB 3.33Å; G25-F29 PolarHBondContact O-N 3.11Å; K26-F29 WeakPolarHBondContact O-CB 3.45Å; K26-F29 PolarHBondContact O-N 2.91Å; K26-F29 VanDerWaalsContact O-N 3.16Å; T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.23Å; F29-H33 AromaticContact CE2-CE1 3.59Å; F29-H33 AromaticContact CZ-CE1 3.53Å; F29-H33 PolarHBondContact O-N 3.38Å; F29-H33 PolarHBondContact O-ND1 2.91Å; F29-I90 HydrophobicContact CE1-CD1 4.05Å; F29-M92 HydrophobicContact CB-CE 3.88Å; F29-M92 HydrophobicContact CD1-CE 3.88Å; F29-M92 HydrophobicContact CD2-CE 4.44Å; F29-M92 HydrophobicContact CG-CE 3.82Å; F29-I152 HydrophobicContact CD2-CD1 3.73Å; F29-I152 HydrophobicContact CE2-CD1 3.63Å; F29-I152 HydrophobicContact CG-CD1 4.42Å; F29-I152 HydrophobicContact CZ-CD1 4.25Å; F29-A154 HydrophobicContact CB-CB 4.26Å; F29-A154 HydrophobicContact CD2-CB 4.45Å; F29-F160 AromaticContact CD2-CD2 3.74Å; F29-F160 HydrophobicContact CD2-CD2 3.74Å; F29-F160 AromaticContact CD2-CE2 3.48Å; F29-F160 HydrophobicContact CD2-CE2 3.48Å; F29-F160 VanDerWaalsContact CD2-CE2 3.48Å; F29-F160 HydrophobicContact CD2-CZ 4.43Å; F29-F160 AromaticContact CE2-CD2 3.62Å; F29-F160 HydrophobicContact CE2-CD2 3.62Å; F29-F160 AromaticContact CE2-CE2 3.75Å; F29-F160 HydrophobicContact CE2-CE2 3.75Å; F29-F160 HydrophobicContact CE2-CG 4.36Å; F29-F160 HydrophobicContact CG-CE2 4.36Å; F29-F160 WeakPolarHBondContact O-CZ 3.47Å; F29-P163 HydrophobicContact CZ-CG 4.21Å; F29-F164 HydrophobicContact CD1-CE2 4.41Å; F29-F164 HydrophobicContact CE1-CD2 4.38Å; F29-F164 AromaticContact CE1-CE2 3.37Å; F29-F164 HydrophobicContact CE1-CE2 3.37Å; F29-F164 AromaticContact CE1-CZ 3.81Å; F29-F164 HydrophobicContact CE1-CZ 3.81Å; F29-F164 HydrophobicContact CZ-CD2 4.17Å; F29-F164 AromaticContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CE2 3.5Å; F29-F164 VanDerWaalsContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CZ 4.38Å
30	V	95.5	Very high	92.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-51.4	176.9	173.3	0	0	0	0	111.2	I18 K26 T27 R32 H33 L34 H51 L53 C66	I18-V30 HydrophobicContact CD1-CG2 4.14Å; I18-V30 HydrophobicContact CG2-CG2 4.2Å; K26-V30 WeakPolarHBondContact O-CG2 3.46Å; K26-V30 PolarHBondContact O-N 3.46Å; T27-V30 PolarHBondContact O-N 3.45Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 2.95Å; V30-H33 WeakPolarHBondContact O-CB 3.49Å; V30-H33 PolarHBondContact O-N 2.9Å; V30-L34 PolarHBondContact O-N 2.81Å; V30-H51 HydrophobicContact CG1-CB 3.56Å; V30-L53 HydrophobicContact CG1-CD1 4.47Å; V30-C66 HydrophobicContact CG1-CB 4.25Å; V30-C66 HydrophobicContact CG2-CB 4.42Å
31	K	93.5	Very high	92.5	Very high	56 Å²	56	43.5 Å²	43.5	24%	0.243	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-38.9	179.1	-75.3	-173.8	174.4	-177.7	0	111.8	T27 H33 L34 T35 E39	T27-K31 HydrophobicContact CG2-CD 4.04Å; T27-K31 HydrophobicContact CG2-CG 4.3Å; T27-K31 WeakPolarHBondContact O-CB 3.21Å; T27-K31 WeakPolarHBondContact O-CG 3.45Å; T27-K31 PolarHBondContact O-N 2.91Å; K31-H33 VanDerWaalsContact C-N 3.29Å; K31-H33 PolarHBondContact O-N 3.37Å; K31-L34 WeakPolarHBondContact O-CB 3.33Å; K31-L34 PolarHBondContact O-N 3.38Å; K31-T35 PolarHBondContact O-N 3.14Å; K31-T35 PolarHBondContact O-OG1 3.29Å; K31-T35 VanDerWaalsContact O-OG1 3.11Å; K31-E39 IonicContact NZ-OE2 3.94Å
32	R	92.9	Very high	92.1	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-32.7	176.8	-175.4	82.6	166.7	171.1	-1.1	112.4	T28 V30 G36 E37 F38 A154 N157 F160 L185 A186 P187	T28-R32 WeakPolarHBondContact O-CB 3.23Å; T28-R32 PolarHBondContact O-N 2.92Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 2.95Å; R32-G36 WeakPolarHBondContact CD-O 3.44Å; R32-G36 PolarHBondContact NH1-O 3.24Å; R32-G36 WeakPolarHBondContact O-CA 3.5Å; R32-G36 PolarHBondContact O-N 3.36Å; R32-E37 WeakPolarHBondContact CA-O 3.28Å; R32-E37 VanDerWaalsContact CD-C 3.46Å; R32-E37 WeakPolarHBondContact CD-O 3.34Å; R32-F38 VanDerWaalsContact NH1-CB 3.27Å; R32-A154 PolarHBondContact NE-O 2.94Å; R32-N157 VanDerWaalsContact CZ-OD1 3.31Å; R32-N157 PolarHBondContact NE-OD1 3.19Å; R32-N157 PolarHBondContact NH2-ND2 3.36Å; R32-N157 PolarHBondContact NH2-OD1 2.82Å; R32-F160 HydrophobicContact CB-CE1 4.5Å; R32-F160 HydrophobicContact CB-CE2 3.93Å; R32-F160 HydrophobicContact CB-CZ 3.47Å; R32-F160 VanDerWaalsContact CB-CZ 3.47Å; R32-F160 HydrophobicContact CG-CE1 4.07Å; R32-F160 HydrophobicContact CG-CE2 3.68Å; R32-F160 HydrophobicContact CG-CZ 3.29Å; R32-L185 HydrophobicContact CG-CD2 4.46Å; R32-L185 VanDerWaalsContact O-CD2 3.3Å; R32-L185 WeakPolarHBondContact O-CD2 3.39Å; R32-A186 PolarHBondContact NH2-O 2.89Å; R32-P187 PolarHBondContact NH2-O 2.72Å
33	H	93.8	Very high	91.9	Very high	19 Å²	19	52.7 Å²	52.7	9%	0.088	26%	0.258	C	S	.	.	H	α-helix	trans	-74.3	-31.9	171.2	-79.9	89.1	0	0	0	112.4	F29 V30 K31 L53 F55 F160 F164	F29-H33 AromaticContact CE2-CE1 3.59Å; F29-H33 AromaticContact CZ-CE1 3.53Å; F29-H33 PolarHBondContact O-N 3.38Å; F29-H33 PolarHBondContact O-ND1 2.91Å; V30-H33 WeakPolarHBondContact O-CB 3.49Å; V30-H33 PolarHBondContact O-N 2.9Å; K31-H33 VanDerWaalsContact C-N 3.29Å; K31-H33 PolarHBondContact O-N 3.37Å; H33-L53 HydrophobicContact CB-CD1 3.68Å; H33-L53 HydrophobicContact CB-CD2 3.93Å; H33-L53 HydrophobicContact CB-CG 4.41Å; H33-F55 AromaticContact CD2-CE1 3.92Å; H33-F55 AromaticContact CD2-CZ 3.75Å; H33-F160 HydrophobicContact CB-CE1 4.2Å; H33-F160 HydrophobicContact CB-CZ 4.31Å; H33-F160 AromaticContact CD2-CD1 3.83Å; H33-F160 AromaticContact CD2-CE1 3.38Å; H33-F160 WeakPolarHBondContact CD2-CE1 3.43Å; H33-F160 AromaticContact CE1-CD1 3.2Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.43Å; H33-F160 AromaticContact CE1-CD2 3.71Å; H33-F160 AromaticContact CE1-CE1 2.95Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.22Å; H33-F160 AromaticContact CE1-CE2 3.47Å; H33-F160 VanDerWaalsContact CE1-CE2 3.47Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.35Å; H33-F160 AromaticContact CE1-CG 3.58Å; H33-F160 AromaticContact CE1-CZ 3.07Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.29Å; H33-F160 PolarHBondContact CE1-O 2.6Å; H33-F160 AromaticContact CG-CE1 3.32Å; H33-F160 AromaticContact CG-CZ 3.55Å; H33-F160 AromaticContact ND1-CD1 3.86Å; H33-F160 AromaticContact ND1-CE1 3.09Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.37Å; H33-F160 AromaticContact ND1-CE2 3.61Å; H33-F160 AromaticContact ND1-CZ 2.92Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.3Å; H33-F160 AromaticContact NE2-CD1 3.2Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.44Å; H33-F160 AromaticContact NE2-CE1 3.18Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.32Å; H33-F160 AromaticContact NE2-CG 3.89Å; H33-F160 AromaticContact NE2-CZ 3.81Å; H33-F160 PolarHBondContact NE2-O 3.48Å; H33-F164 AromaticContact CD2-CE2 3.85Å; H33-F164 AromaticContact CE1-CD2 3.73Å; H33-F164 AromaticContact CE1-CE2 3.24Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.19Å; H33-F164 AromaticContact CG-CE2 3.97Å; H33-F164 AromaticContact ND1-CE2 3.56Å; H33-F164 AromaticContact NE2-CD2 3.45Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.46Å; H33-F164 AromaticContact NE2-CE2 3.4Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.03Å
34	L	91.5	Very high	91.6	Very high	78 Å²	78	55 Å²	55	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-77.2	-45.7	-177	-176.9	63.8	0	0	0	112.7	V30 K31 H51 L53	V30-L34 PolarHBondContact O-N 2.81Å; K31-L34 WeakPolarHBondContact O-CB 3.33Å; K31-L34 PolarHBondContact O-N 3.38Å; L34-H51 HydrophobicContact CD2-CB 4.45Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.12Å
35	T	90.5	Very high	91.1	Very high	79 Å²	79	55.9 Å²	55.9	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-115.3	-12.6	-171	68.2	0	0	0	0	113.3	K31 E37	K31-T35 PolarHBondContact O-N 3.14Å; K31-T35 PolarHBondContact O-OG1 3.29Å; K31-T35 VanDerWaalsContact O-OG1 3.11Å; T35-E37 PolarHBondContact O-N 3.4Å; T35-E37 PolarHBondContact OG1-N 2.82Å
36	G	89.1	Confident	90.6	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	77.5	-11.1	-170.2	0	0	0	0	0	114.2	R32 A184 A186	R32-G36 WeakPolarHBondContact CD-O 3.44Å; R32-G36 PolarHBondContact NH1-O 3.24Å; R32-G36 WeakPolarHBondContact O-CA 3.5Å; R32-G36 PolarHBondContact O-N 3.36Å; G36-A184 WeakPolarHBondContact CA-O 3.35Å; G36-A186 WeakPolarHBondContact O-CB 3.39Å; G36-A186 PolarHBondContact O-N 3.28Å
37	E	87.7	Confident	90.1	Very high	133 Å²	133	62.9 Å²	62.9	62%	0.621	31%	0.309	S	S	*	.			trans	-88.4	148.1	-172.9	-61.5	-173.1	161.4	0	0	112.9	R32 T35	R32-E37 WeakPolarHBondContact CA-O 3.28Å; R32-E37 VanDerWaalsContact CD-C 3.46Å; R32-E37 WeakPolarHBondContact CD-O 3.34Å; T35-E37 PolarHBondContact O-N 3.4Å; T35-E37 PolarHBondContact OG1-N 2.82Å
38	F	86.5	Confident	89.9	Confident	45 Å²	45	63.2 Å²	63.2	20%	0.197	31%	0.311	C	S	.	.			trans	-93.3	116.3	174.2	-178.4	-103.4	0	0	0	109.9	T28 R32 K40 K155 E189	T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.4Å; T28-F38 VanDerWaalsContact CG2-CE2 3.4Å; T28-F38 HydrophobicContact CG2-CG 4.48Å; T28-F38 HydrophobicContact CG2-CZ 4.21Å; R32-F38 VanDerWaalsContact NH1-CB 3.27Å; F38-K40 HydrophobicContact CD1-CG 3.87Å; F38-K40 HydrophobicContact CE1-CG 4.08Å; F38-K40 PolarHBondContact O-N 3.42Å; F38-K155 HydrophobicContact CD1-CG 4.31Å; F38-K155 HydrophobicContact CD2-CB 4.12Å; F38-K155 HydrophobicContact CD2-CG 4.1Å; F38-K155 HydrophobicContact CE1-CD 4.2Å; F38-K155 HydrophobicContact CE1-CG 3.92Å; F38-K155 HydrophobicContact CE2-CB 3.54Å; F38-K155 HydrophobicContact CE2-CD 4.48Å; F38-K155 HydrophobicContact CE2-CG 3.67Å; F38-K155 HydrophobicContact CG-CG 4.4Å; F38-K155 HydrophobicContact CZ-CB 3.87Å; F38-K155 HydrophobicContact CZ-CD 3.95Å; F38-K155 HydrophobicContact CZ-CG 3.59Å; F38-E189 HydrophobicContact CB-CG 4.48Å; F38-E189 HydrophobicContact CD1-CG 4.4Å
39	E	86	Confident	89.7	Confident	70 Å²	70	65.5 Å²	65.5	33%	0.327	32%	0.32	S	S	.	.			trans	-75.6	107.5	174.2	-175.3	64.1	-105.4	0	0	110.2	T28 K31 K41	T28-E39 HydrophobicContact CG2-CB 4.31Å; K31-E39 IonicContact NZ-OE2 3.94Å; E39-K41 WeakPolarHBondContact CG-O 3.39Å
40	K	87.1	Confident	89.6	Confident	157 Å²	157	67 Å²	67	68%	0.683	33%	0.329	S	S	*	.			trans	-77.1	-31.8	179.4	-68.8	-179	-177.6	176.9	0	112.9	F38 E189	F38-K40 HydrophobicContact CD1-CG 3.87Å; F38-K40 HydrophobicContact CE1-CG 4.08Å; F38-K40 PolarHBondContact O-N 3.42Å; K40-E189 WeakPolarHBondContact CE-OE1 3.33Å; K40-E189 VanDerWaalsContact CE-OE2 3.24Å; K40-E189 WeakPolarHBondContact CE-OE2 3.19Å; K40-E189 IonicContact NZ-OE1 3.46Å; K40-E189 PolarHBondContact NZ-OE1 3.1Å
41	K	89	Confident	89.6	Confident	133 Å²	133	68.1 Å²	68.1	58%	0.578	33%	0.334	S	S	*	.	S	Bend	trans	-89.7	125.3	-173.5	-170.4	-176.9	175.6	-162.1	0	109.2	E39 E43	E39-K41 WeakPolarHBondContact CG-O 3.39Å; K41-E43 HydrophobicContact CD-CG 4.07Å; K41-E43 WeakPolarHBondContact CD-OE1 3.25Å; K41-E43 VanDerWaalsContact CE-OE1 3.25Å; K41-E43 WeakPolarHBondContact CE-OE1 3.42Å; K41-E43 HydrophobicContact CG-CG 4.16Å; K41-E43 IonicContact NZ-OE1 2.68Å; K41-E43 PolarHBondContact NZ-OE1 3.07Å; K41-E43 PolarHBondContact O-N 3.45Å
42	Y	88.2	Confident	89.7	Confident	124 Å²	124	68 Å²	68	49%	0.486	34%	0.339	S	S	.	.			trans	-78.7	108.2	170.9	177.4	-115.9	0	0	0	109.9	G23 P44	G23-Y42 PolarHBondContact N-OH 2.9Å; Y42-P44 HydrophobicContact CD1-CG 4.45Å; Y42-P44 HydrophobicContact CE1-CG 3.73Å
43	E	88.1	Confident	89.8	Confident	108 Å²	108	68.1 Å²	68.1	51%	0.505	34%	0.339	S	S	.	.			trans	-111.4	116.4	166.5	-63.1	-170.1	163.5	0	0	107.8	K41 T45	K41-E43 HydrophobicContact CD-CG 4.07Å; K41-E43 WeakPolarHBondContact CD-OE1 3.25Å; K41-E43 VanDerWaalsContact CE-OE1 3.25Å; K41-E43 WeakPolarHBondContact CE-OE1 3.42Å; K41-E43 HydrophobicContact CG-CG 4.16Å; K41-E43 IonicContact NZ-OE1 2.68Å; K41-E43 PolarHBondContact NZ-OE1 3.07Å; K41-E43 PolarHBondContact O-N 3.45Å; E43-T45 PolarHBondContact O-N 3.3Å
44	P	88.3	Confident	89.9	Confident	73 Å²	73	69.8 Å²	69.8	47%	0.474	35%	0.349	S	S	.	.			trans	-60.2	128.2	178.4	-20.5	30.1	0	0	0	111.2	Y42 I46	Y42-P44 HydrophobicContact CD1-CG 4.45Å; Y42-P44 HydrophobicContact CE1-CG 3.73Å; P44-I46 PolarHBondContact O-N 3.03Å
45	T	85.8	Confident	90.1	Very high	19 Å²	19	66.6 Å²	66.6	12%	0.117	33%	0.332	C	S	.	.			trans	-58.5	137.1	168.5	-38	0	0	0	0	109.6	T27 E43 E49 A70	T27-T45 PolarHBondContact OG1-OG1 3.07Å; E43-T45 PolarHBondContact O-N 3.3Å; T45-E49 HydrophobicContact CG2-CG 4.15Å; T45-A70 WeakPolarHBondContact O-CB 3.41Å
46	I	85.6	Confident	90.3	Very high	158 Å²	158	66.9 Å²	66.9	81%	0.81	33%	0.327	S	S	*	.			trans	-106.3	114.4	174	-59.4	175.9	0	0	0	107.4	P44 V48	P44-I46 PolarHBondContact O-N 3.03Å; I46-V48 PolarHBondContact O-N 2.93Å
47	G	86	Confident	90.7	Very high	10 Å²	10	67.1 Å²	67.1	10%	0.103	33%	0.328	C	S	.	.	S	Bend	trans	69.2	-107.6	-176.4	0	0	0	0	0	112.9	A70 E73 Y82	G47-A70 WeakPolarHBondContact O-CB 3.46Å; G47-A70 PolarHBondContact O-N 3.37Å; G47-E73 PolarHBondContact N-OE1 3.49Å; G47-E73 VanDerWaalsContact N-OE1 3.09Å; G47-Y82 WeakPolarHBondContact CA-OH 3.41Å
48	V	90.4	Very high	91.2	Very high	31 Å²	31	64.1 Å²	64.1	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136.9	-178.8	68	0	0	0	0	112	I46 V50 W67 D68 T69 Y82	I46-V48 PolarHBondContact O-N 2.93Å; V48-V50 HydrophobicContact CG2-CG2 4.15Å; V48-W67 HydrophobicContact CG1-CE3 4.34Å; V48-W67 HydrophobicContact CG1-CZ3 4.43Å; V48-W67 HydrophobicContact CG2-CB 3.96Å; V48-W67 HydrophobicContact CG2-CD2 4.38Å; V48-W67 HydrophobicContact CG2-CE3 3.87Å; V48-W67 HydrophobicContact CG2-CG 4.48Å; V48-D68 VanDerWaalsContact CA-O 3.31Å; V48-D68 WeakPolarHBondContact CA-O 3.43Å; V48-D68 WeakPolarHBondContact CG2-O 3.29Å; V48-T69 HydrophobicContact CG2-CG2 4.29Å; V48-Y82 HydrophobicContact CB-CD1 3.95Å; V48-Y82 HydrophobicContact CB-CD2 4.47Å; V48-Y82 HydrophobicContact CB-CE1 3.94Å; V48-Y82 HydrophobicContact CB-CE2 4.46Å; V48-Y82 HydrophobicContact CB-CG 4.23Å; V48-Y82 HydrophobicContact CG1-CD1 3.62Å; V48-Y82 HydrophobicContact CG1-CE1 3.46Å; V48-Y82 VanDerWaalsContact CG1-CE1 3.46Å; V48-Y82 HydrophobicContact CG1-CG 4.39Å
49	E	92.3	Very high	91.6	Very high	76 Å²	76	66.2 Å²	66.2	36%	0.355	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.2	163.9	-66.4	-174.9	178	0	0	109.4	T45 H51 D68	T45-E49 HydrophobicContact CG2-CG 4.15Å; E49-H51 WeakPolarHBondContact CB-NE2 3.49Å; E49-H51 IonicContact OE2-CE1 2.65Å; E49-H51 PolarHBondContact OE2-CE1 3.28Å; E49-H51 IonicContact OE2-NE2 3.89Å; E49-H51 PolarHBondContact OE2-NE2 2.95Å; E49-D68 PolarHBondContact N-O 3.37Å; E49-D68 PolarHBondContact O-N 3.29Å
50	V	94.6	Very high	92	Very high	31 Å²	31	64.7 Å²	64.7	19%	0.188	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.8	179.6	-166.1	0	0	0	0	111.7	L3 V48 C66 W67	L3-V50 HydrophobicContact CD1-CB 4.01Å; L3-V50 HydrophobicContact CD1-CG2 3.27Å; V48-V50 HydrophobicContact CG2-CG2 4.15Å; V50-C66 VanDerWaalsContact CA-O 3.32Å; V50-C66 WeakPolarHBondContact CA-O 3.42Å; V50-W67 HydrophobicContact CG1-CG 4.14Å; V50-W67 HydrophobicContact CG2-CB 4.39Å; V50-W67 HydrophobicContact CG2-CD2 3.64Å; V50-W67 HydrophobicContact CG2-CE3 4.13Å; V50-W67 HydrophobicContact CG2-CG 3.78Å; V50-W67 HydrophobicContact CG2-CZ2 4.34Å
51	H	95.1	Very high	92.5	Very high	25 Å²	25	60 Å²	60	12%	0.116	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	-173.4	-63	-80.1	0	0	0	110	V30 L34 E49 L53 C66	V30-H51 HydrophobicContact CG1-CB 3.56Å; L34-H51 HydrophobicContact CD2-CB 4.45Å; E49-H51 WeakPolarHBondContact CB-NE2 3.49Å; E49-H51 IonicContact OE2-CE1 2.65Å; E49-H51 PolarHBondContact OE2-CE1 3.28Å; E49-H51 IonicContact OE2-NE2 3.89Å; E49-H51 PolarHBondContact OE2-NE2 2.95Å; H51-L53 PolarHBondContact O-N 2.82Å; H51-C66 PolarHBondContact N-O 2.89Å; H51-C66 PolarHBondContact O-N 3.25Å
52	P	95.4	Very high	92.8	Very high	54 Å²	54	54.2 Å²	54.2	35%	0.351	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.1	172	30.3	-30.9	0	0	0	109.9	R63 Y65	P52-R63 HydrophobicContact CB-CG 4.39Å; P52-Y65 HydrophobicContact CB-CD1 4.2Å; P52-Y65 HydrophobicContact CB-CE1 4.19Å
53	L	95.3	Very high	93.2	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.8	175.1	-59.4	-174	0	0	0	110	V30 H33 L34 H51 F55 R63 F64 C66 F164	V30-L53 HydrophobicContact CG1-CD1 4.47Å; H33-L53 HydrophobicContact CB-CD1 3.68Å; H33-L53 HydrophobicContact CB-CD2 3.93Å; H33-L53 HydrophobicContact CB-CG 4.41Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.12Å; H51-L53 PolarHBondContact O-N 2.82Å; L53-F55 HydrophobicContact CB-CE2 3.8Å; L53-F55 HydrophobicContact CB-CZ 4.46Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.47Å; L53-F64 PolarHBondContact N-O 2.96Å; L53-F64 PolarHBondContact O-N 2.88Å; L53-C66 HydrophobicContact CD1-CB 4.38Å; L53-C66 WeakPolarHBondContact CD1-SG 3.33Å; L53-F164 HydrophobicContact CD1-CE1 3.9Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å
54	D	94.4	Very high	93.6	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136	179.5	-74.2	-22.7	0	0	0	111.3	Y11 K61 I62 R63	Y11-D54 PolarHBondContact OH-OD1 2.91Å; Y11-D54 PolarHBondContact OH-OD2 3.03Å; D54-K61 WeakPolarHBondContact OD2-CE 3.29Å; D54-K61 IonicContact OD2-NZ 2.7Å; D54-K61 PolarHBondContact OD2-NZ 3.06Å; D54-I62 WeakPolarHBondContact CA-O 3.34Å; D54-R63 VanDerWaalsContact CG-NH2 3.28Å; D54-R63 WeakPolarHBondContact OD1-CB 3.41Å; D54-R63 IonicContact OD1-CZ 3.29Å; D54-R63 VanDerWaalsContact OD1-CZ 3.29Å; D54-R63 IonicContact OD1-NE 2.68Å; D54-R63 PolarHBondContact OD1-NE 3.37Å; D54-R63 IonicContact OD1-NH2 3.07Å; D54-R63 PolarHBondContact OD1-NH2 3.42Å; D54-R63 VanDerWaalsContact OD1-NH2 3.07Å; D54-R63 IonicContact OD2-CZ 3.73Å; D54-R63 IonicContact OD2-NE 3.89Å; D54-R63 IonicContact OD2-NH2 2.75Å; D54-R63 PolarHBondContact OD2-NH2 3.31Å
55	F	95.8	Very high	94.1	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.044	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	173.6	-62.8	-95.1	0	0	0	109.7	H33 L53 I62 F64 F164 F179	H33-F55 AromaticContact CD2-CE1 3.92Å; H33-F55 AromaticContact CD2-CZ 3.75Å; L53-F55 HydrophobicContact CB-CE2 3.8Å; L53-F55 HydrophobicContact CB-CZ 4.46Å; F55-I62 HydrophobicContact CB-CD1 4.37Å; F55-I62 HydrophobicContact CB-CG1 3.89Å; F55-I62 PolarHBondContact N-O 3.36Å; F55-I62 PolarHBondContact O-N 3.19Å; F55-F64 AromaticContact CD2-CD2 3.73Å; F55-F64 HydrophobicContact CD2-CD2 3.73Å; F55-F64 HydrophobicContact CD2-CE2 4.16Å; F55-F64 AromaticContact CE2-CD2 3.7Å; F55-F64 HydrophobicContact CE2-CD2 3.7Å; F55-F64 HydrophobicContact CE2-CE2 4.32Å; F55-F164 HydrophobicContact CE1-CB 3.89Å; F55-F164 HydrophobicContact CE1-CD2 4.26Å; F55-F164 HydrophobicContact CE1-CG 4Å; F55-F164 HydrophobicContact CE2-CB 4.15Å; F55-F164 AromaticContact CE2-CD1 3.62Å; F55-F164 HydrophobicContact CE2-CD1 3.62Å; F55-F164 HydrophobicContact CE2-CE1 4.11Å; F55-F164 AromaticContact CE2-CG 3.87Å; F55-F164 HydrophobicContact CE2-CG 3.87Å; F55-F164 HydrophobicContact CZ-CB 3.67Å; F55-F164 AromaticContact CZ-CD1 3.56Å; F55-F164 HydrophobicContact CZ-CD1 3.56Å; F55-F164 AromaticContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CE1 4.07Å; F55-F164 HydrophobicContact CZ-CE2 4.2Å; F55-F164 AromaticContact CZ-CG 3.34Å; F55-F164 HydrophobicContact CZ-CG 3.34Å; F55-F164 HydrophobicContact CZ-CZ 4.36Å; F55-F179 HydrophobicContact CB-CD1 4.01Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 3.97Å; F55-F179 HydrophobicContact CD1-CD1 4.43Å; F55-F179 HydrophobicContact CD1-CD2 4Å; F55-F179 AromaticContact CD1-CE1 3.98Å; F55-F179 HydrophobicContact CD1-CE1 3.98Å; F55-F179 AromaticContact CD1-CE2 3.48Å; F55-F179 HydrophobicContact CD1-CE2 3.48Å; F55-F179 VanDerWaalsContact CD1-CE2 3.48Å; F55-F179 HydrophobicContact CD1-CG 4.46Å; F55-F179 AromaticContact CD1-CZ 3.46Å; F55-F179 HydrophobicContact CD1-CZ 3.46Å; F55-F179 VanDerWaalsContact CD1-CZ 3.46Å; F55-F179 AromaticContact CE1-CE2 3.9Å; F55-F179 HydrophobicContact CE1-CE2 3.9Å; F55-F179 HydrophobicContact CE1-CZ 4.11Å; F55-F179 AromaticContact CG-CE1 3.99Å; F55-F179 HydrophobicContact CG-CE1 3.99Å; F55-F179 HydrophobicContact CG-CE2 4.27Å; F55-F179 AromaticContact CG-CZ 3.79Å; F55-F179 HydrophobicContact CG-CZ 3.79Å
56	F	96.3	Very high	94.6	Very high	85 Å²	85	41.2 Å²	41.2	37%	0.373	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.6	175.3	-65.9	-91.8	0	0	0	108.9	K61 F179 V180 E181	F56-K61 HydrophobicContact CD1-CB 4.38Å; F56-K61 HydrophobicContact CD1-CD 4.5Å; F56-K61 HydrophobicContact CD1-CG 4.3Å; F56-K61 HydrophobicContact CE1-CB 4.44Å; F56-K61 HydrophobicContact CE1-CD 3.85Å; F56-K61 HydrophobicContact CE1-CG 4.14Å; F56-K61 HydrophobicContact CZ-CD 4.02Å; F56-F179 CarbonylContact O-C 3.55Å; F56-F179 VanDerWaalsContact O-CA 3.25Å; F56-F179 WeakPolarHBondContact O-CA 3.1Å; F56-V180 HydrophobicContact CB-CG2 3.82Å; F56-V180 WeakPolarHBondContact O-CG2 3.39Å; F56-V180 PolarHBondContact O-N 3.07Å; F56-E181 HydrophobicContact CB-CB 4.34Å; F56-E181 HydrophobicContact CB-CG 4.4Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.47Å
57	T	97.1	Very high	95.1	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	167.1	-180	81.6	0	0	0	0	110.6	C59 G60 I62 L177 H178 F179	T57-C59 PolarHBondContact O-N 2.93Å; T57-C59 VanDerWaalsContact O-N 3.11Å; T57-C59 PolarHBondContact OG1-N 2.92Å; T57-G60 WeakPolarHBondContact CA-O 3.43Å; T57-G60 WeakPolarHBondContact CB-O 3.37Å; T57-G60 PolarHBondContact N-O 3.26Å; T57-G60 PolarHBondContact O-N 3.1Å; T57-G60 PolarHBondContact OG1-N 2.91Å; T57-G60 PolarHBondContact OG1-O 2.92Å; T57-I62 HydrophobicContact CG2-CD1 3.95Å; T57-I62 HydrophobicContact CG2-CG1 3.98Å; T57-I62 HydrophobicContact CG2-CG2 4.24Å; T57-L177 HydrophobicContact CG2-CD1 4.28Å; T57-L177 HydrophobicContact CG2-CD2 3.85Å; T57-L177 HydrophobicContact CG2-CG 4.17Å; T57-H178 CarbonylContact C-O 3.59Å; T57-H178 VanDerWaalsContact CA-O 3.23Å; T57-H178 WeakPolarHBondContact CA-O 3.2Å; T57-F179 HydrophobicContact CG2-CD1 4.01Å; T57-F179 HydrophobicContact CG2-CE1 4.15Å
58	N	97.1	Very high	95.5	Very high	69 Å²	69	33.9 Å²	33.9	37%	0.369	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.8	169.7	65.3	-58.8	0	0	0	114	L177 H178 V180	N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.26Å; N58-H178 VanDerWaalsContact CB-CE1 3.45Å; N58-H178 WeakPolarHBondContact CB-CE1 2.95Å; N58-H178 PolarHBondContact N-O 3.03Å; N58-H178 PolarHBondContact OD1-N 3.35Å; N58-H178 PolarHBondContact OD1-O 2.92Å; N58-V180 HydrophobicContact CB-CG1 4.02Å
59	C	95.2	Very high	95.6	Very high	89 Å²	89	32.6 Å²	32.6	60%	0.601	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	8.5	176.6	-59	0	0	0	0	112.8	T57	T57-C59 PolarHBondContact O-N 2.93Å; T57-C59 VanDerWaalsContact O-N 3.11Å; T57-C59 PolarHBondContact OG1-N 2.92Å
60	G	95.8	Very high	95.3	Very high	39 Å²	39	29.1 Å²	29.1	40%	0.402	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108.4	-171.8	-175.9	0	0	0	0	0	113.2	T57	T57-G60 WeakPolarHBondContact CA-O 3.43Å; T57-G60 WeakPolarHBondContact CB-O 3.37Å; T57-G60 PolarHBondContact N-O 3.26Å; T57-G60 PolarHBondContact O-N 3.1Å; T57-G60 PolarHBondContact OG1-N 2.91Å; T57-G60 PolarHBondContact OG1-O 2.92Å
61	K	95.7	Very high	94.7	Very high	57 Å²	57	28.2 Å²	28.2	25%	0.248	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.4	-173.9	-167.5	175.9	-179.8	-178.9	0	111.4	Y11 D54 F56	Y11-K61 HydrophobicContact CD1-CD 4.39Å; Y11-K61 HydrophobicContact CD2-CB 4.09Å; Y11-K61 HydrophobicContact CD2-CD 4.3Å; Y11-K61 HydrophobicContact CD2-CG 3.96Å; Y11-K61 WeakPolarHBondContact CD2-O 3.38Å; Y11-K61 HydrophobicContact CE1-CD 3.94Å; Y11-K61 HydrophobicContact CE2-CB 4.35Å; Y11-K61 HydrophobicContact CE2-CD 3.77Å; Y11-K61 HydrophobicContact CE2-CG 3.72Å; Y11-K61 HydrophobicContact CG-CB 4.24Å; Y11-K61 HydrophobicContact CG-CG 4.46Å; Y11-K61 WeakPolarHBondContact OH-CE 3.5Å; Y11-K61 PolarHBondContact OH-NZ 3.3Å; D54-K61 WeakPolarHBondContact OD2-CE 3.29Å; D54-K61 IonicContact OD2-NZ 2.7Å; D54-K61 PolarHBondContact OD2-NZ 3.06Å; F56-K61 HydrophobicContact CD1-CB 4.38Å; F56-K61 HydrophobicContact CD1-CD 4.5Å; F56-K61 HydrophobicContact CD1-CG 4.3Å; F56-K61 HydrophobicContact CE1-CB 4.44Å; F56-K61 HydrophobicContact CE1-CD 3.85Å; F56-K61 HydrophobicContact CE1-CG 4.14Å; F56-K61 HydrophobicContact CZ-CD 4.02Å
62	I	96.2	Very high	93.8	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.2	169.8	66	174.2	0	0	0	110.2	P12 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.34Å; P12-I62 WeakPolarHBondContact O-CA 3.18Å; D54-I62 WeakPolarHBondContact CA-O 3.34Å; F55-I62 HydrophobicContact CB-CD1 4.37Å; F55-I62 HydrophobicContact CB-CG1 3.89Å; F55-I62 PolarHBondContact N-O 3.36Å; F55-I62 PolarHBondContact O-N 3.19Å; T57-I62 HydrophobicContact CG2-CD1 3.95Å; T57-I62 HydrophobicContact CG2-CG1 3.98Å; T57-I62 HydrophobicContact CG2-CG2 4.24Å; I62-F64 HydrophobicContact CD1-CE2 3.91Å; I62-F64 HydrophobicContact CD1-CZ 4.36Å; I62-A168 HydrophobicContact CD1-CB 3.41Å; I62-A168 VanDerWaalsContact CD1-CB 3.41Å; I62-F179 HydrophobicContact CD1-CE1 4.38Å
63	R	96.5	Very high	92.4	Very high	30 Å²	30	32 Å²	32	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.4	174.4	175.8	166.5	-70.5	-172.2	-5.6	112.1	Y11 P12 S13 F14 P52 L53 D54 Y65	Y11-R63 HydrophobicContact CD2-CB 4.48Å; Y11-R63 HydrophobicContact CE2-CB 3.78Å; Y11-R63 VanDerWaalsContact OH-CZ 3.29Å; Y11-R63 PolarHBondContact OH-NE 3.37Å; Y11-R63 PolarHBondContact OH-NH2 2.88Å; P12-R63 PolarHBondContact O-N 2.96Å; S13-R63 CarbonylContact C-O 3.54Å; S13-R63 WeakPolarHBondContact CA-O 3.45Å; F14-R63 PolarHBondContact N-O 3.37Å; P52-R63 HydrophobicContact CB-CG 4.39Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.47Å; D54-R63 VanDerWaalsContact CG-NH2 3.28Å; D54-R63 WeakPolarHBondContact OD1-CB 3.41Å; D54-R63 IonicContact OD1-CZ 3.29Å; D54-R63 VanDerWaalsContact OD1-CZ 3.29Å; D54-R63 IonicContact OD1-NE 2.68Å; D54-R63 PolarHBondContact OD1-NE 3.37Å; D54-R63 IonicContact OD1-NH2 3.07Å; D54-R63 PolarHBondContact OD1-NH2 3.42Å; D54-R63 VanDerWaalsContact OD1-NH2 3.07Å; D54-R63 IonicContact OD2-CZ 3.73Å; D54-R63 IonicContact OD2-NE 3.89Å; D54-R63 IonicContact OD2-NH2 2.75Å; D54-R63 PolarHBondContact OD2-NH2 3.31Å; R63-Y65 HydrophobicContact CG-CD2 4.39Å; R63-Y65 HydrophobicContact CG-CE1 4.5Å; R63-Y65 HydrophobicContact CG-CE2 4.21Å
64	F	97.4	Very high	90.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.6	161.3	-68.7	-77	0	0	0	109.4	F14 L16 L53 F55 I62 C66 F164 L167 A168 L171	F14-F64 HydrophobicContact CB-CD1 3.89Å; F14-F64 HydrophobicContact CB-CE1 4.01Å; F14-F64 HydrophobicContact CD2-CE1 4.26Å; F14-F64 HydrophobicContact CG-CE1 4.44Å; F14-F64 CarbonylContact O-C 3.48Å; F14-F64 WeakPolarHBondContact O-CA 3.33Å; L16-F64 HydrophobicContact CB-CB 4.22Å; L16-F64 HydrophobicContact CB-CD1 3.94Å; L16-F64 HydrophobicContact CB-CG 4.45Å; L16-F64 HydrophobicContact CD1-CD1 3.92Å; L16-F64 HydrophobicContact CD1-CE1 4.34Å; L16-F64 HydrophobicContact CD1-CG 4.23Å; L53-F64 PolarHBondContact N-O 2.96Å; L53-F64 PolarHBondContact O-N 2.88Å; F55-F64 AromaticContact CD2-CD2 3.73Å; F55-F64 HydrophobicContact CD2-CD2 3.73Å; F55-F64 HydrophobicContact CD2-CE2 4.16Å; F55-F64 AromaticContact CE2-CD2 3.7Å; F55-F64 HydrophobicContact CE2-CD2 3.7Å; F55-F64 HydrophobicContact CE2-CE2 4.32Å; I62-F64 HydrophobicContact CD1-CE2 3.91Å; I62-F64 HydrophobicContact CD1-CZ 4.36Å; F64-C66 PolarHBondContact O-N 2.92Å; F64-F164 AromaticContact CD2-CD1 3.72Å; F64-F164 HydrophobicContact CD2-CD1 3.72Å; F64-F164 HydrophobicContact CD2-CE1 4.37Å; F64-F164 HydrophobicContact CE2-CB 4.38Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.24Å; F64-L167 HydrophobicContact CE1-CB 4.31Å; F64-L167 HydrophobicContact CZ-CB 4.1Å; F64-A168 HydrophobicContact CE2-CB 4.49Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F64-L171 HydrophobicContact CE1-CD1 3.62Å; F64-L171 HydrophobicContact CZ-CD1 4.16Å
65	Y	97.3	Very high	88.6	Confident	21 Å²	21	46.2 Å²	46.2	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	98.3	161	-65.9	-78.1	0	0	0	107.1	Q6 Q7 F14 L16 P52 R63 W67	Q6-Y65 HydrophobicContact CB-CE1 4.19Å; Q6-Y65 HydrophobicContact CG-CD1 4.49Å; Q6-Y65 HydrophobicContact CG-CE1 4.43Å; Q6-Y65 VanDerWaalsContact NE2-CD1 3.32Å; Q7-Y65 PolarHBondContact O-OH 3.05Å; F14-Y65 PolarHBondContact O-N 3.23Å; L16-Y65 PolarHBondContact N-O 3.02Å; P52-Y65 HydrophobicContact CB-CD1 4.2Å; P52-Y65 HydrophobicContact CB-CE1 4.19Å; R63-Y65 HydrophobicContact CG-CD2 4.39Å; R63-Y65 HydrophobicContact CG-CE1 4.5Å; R63-Y65 HydrophobicContact CG-CE2 4.21Å; Y65-W67 PolarHBondContact O-N 2.89Å
66	C	96.8	Very high	86.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.7	-177.5	-67	0	0	0	0	110.1	L16 V30 V50 H51 L53 F64 D68	L16-C66 HydrophobicContact CD2-CB 4.32Å; L16-C66 CarbonylContact O-C 3.57Å; L16-C66 WeakPolarHBondContact O-CA 3.35Å; V30-C66 HydrophobicContact CG1-CB 4.25Å; V30-C66 HydrophobicContact CG2-CB 4.42Å; V50-C66 VanDerWaalsContact CA-O 3.32Å; V50-C66 WeakPolarHBondContact CA-O 3.42Å; H51-C66 PolarHBondContact N-O 2.89Å; H51-C66 PolarHBondContact O-N 3.25Å; L53-C66 HydrophobicContact CD1-CB 4.38Å; L53-C66 WeakPolarHBondContact CD1-SG 3.33Å; F64-C66 PolarHBondContact O-N 2.92Å; C66-D68 PolarHBondContact O-N 3.5Å
67	W	95.9	Very high	84.8	Confident	14 Å²	14	46.3 Å²	46.3	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	92.4	174.2	-71.4	56.1	0	0	0	108.5	L3 K15 L16 I18 V48 V50 Y65 T69 Y82	L3-W67 HydrophobicContact CD1-CH2 4.31Å; L3-W67 HydrophobicContact CD1-CZ2 4.49Å; L3-W67 HydrophobicContact CG-CH2 3.93Å; L3-W67 HydrophobicContact CG-CZ2 4.28Å; K15-W67 HydrophobicContact CD-CD2 4.44Å; K15-W67 HydrophobicContact CD-CZ2 4.37Å; K15-W67 HydrophobicContact CG-CG 4.43Å; L16-W67 PolarHBondContact O-N 3.48Å; I18-W67 WeakPolarHBondContact CG2-O 3.34Å; I18-W67 PolarHBondContact N-O 2.87Å; V48-W67 HydrophobicContact CG1-CE3 4.34Å; V48-W67 HydrophobicContact CG1-CZ3 4.43Å; V48-W67 HydrophobicContact CG2-CB 3.96Å; V48-W67 HydrophobicContact CG2-CD2 4.38Å; V48-W67 HydrophobicContact CG2-CE3 3.87Å; V48-W67 HydrophobicContact CG2-CG 4.48Å; V50-W67 HydrophobicContact CG1-CG 4.14Å; V50-W67 HydrophobicContact CG2-CB 4.39Å; V50-W67 HydrophobicContact CG2-CD2 3.64Å; V50-W67 HydrophobicContact CG2-CE3 4.13Å; V50-W67 HydrophobicContact CG2-CG 3.78Å; V50-W67 HydrophobicContact CG2-CZ2 4.34Å; Y65-W67 PolarHBondContact O-N 2.89Å; W67-T69 PolarHBondContact O-N 2.94Å; W67-Y82 HydrophobicContact CE3-CD1 4.49Å; W67-Y82 HydrophobicContact CZ3-CD1 4.31Å
68	D	94.5	Very high	83.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	103.9	174.2	-174.8	34	0	0	0	110.7	I18 K26 T27 V48 E49 C66	I18-D68 VanDerWaalsContact CG2-CA 3.44Å; I18-D68 HydrophobicContact CG2-CB 4.04Å; K26-D68 VanDerWaalsContact CB-OD1 3.29Å; K26-D68 WeakPolarHBondContact CB-OD1 3.49Å; T27-D68 VanDerWaalsContact CA-OD2 3.23Å; T27-D68 WeakPolarHBondContact CA-OD2 3.32Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.14Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.45Å; T27-D68 PolarHBondContact OG1-OD2 2.7Å; V48-D68 VanDerWaalsContact CA-O 3.31Å; V48-D68 WeakPolarHBondContact CA-O 3.43Å; V48-D68 WeakPolarHBondContact CG2-O 3.29Å; E49-D68 PolarHBondContact N-O 3.37Å; E49-D68 PolarHBondContact O-N 3.29Å; C66-D68 PolarHBondContact O-N 3.5Å
69	T	91.8	Very high	82.2	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.2	-175.2	67.4	0	0	0	0	112.2	V17 I18 K26 V48 W67 G71 Y82	V17-T69 HydrophobicContact CG1-CG2 4.11Å; I18-T69 PolarHBondContact O-N 2.95Å; I18-T69 PolarHBondContact O-OG1 2.9Å; K26-T69 WeakPolarHBondContact CE-O 3.31Å; V48-T69 HydrophobicContact CG2-CG2 4.29Å; W67-T69 PolarHBondContact O-N 2.94Å; T69-G71 PolarHBondContact O-N 2.79Å; T69-Y82 HydrophobicContact CG2-CD2 4.33Å
70	A	87.9	Confident	81.6	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.017	25%	0.254	C	S	.	.			trans	-62.6	128.3	172.9	0	0	0	0	0	112	T45 G47 E73	T45-A70 WeakPolarHBondContact O-CB 3.41Å; G47-A70 WeakPolarHBondContact O-CB 3.46Å; G47-A70 PolarHBondContact O-N 3.37Å; A70-E73 HydrophobicContact CB-CG 3.43Å; A70-E73 VanDerWaalsContact CB-CG 3.43Å; A70-E73 WeakPolarHBondContact CB-OE1 3.43Å
71	G	81	Confident	81.2	Confident	12 Å²	12	46.9 Å²	46.9	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	-87.4	-5.2	-178.2	0	0	0	0	0	115	G20 G22 T69	G20-G71 WeakPolarHBondContact O-CA 3.31Å; G22-G71 PolarHBondContact N-O 2.95Å; T69-G71 PolarHBondContact O-N 2.79Å
72	Q	76.4	Confident	80.9	Confident	111 Å²	111	46.2 Å²	46.2	52%	0.519	25%	0.251	S	S	.	.			trans	-102.5	-7.4	-174.2	-66.6	-68.4	-14.2	0	0	113.4	K74	Q72-K74 PolarHBondContact O-N 3.03Å
73	E	65.8	Low	80.7	Confident	49 Å²	49	45.6 Å²	45.6	23%	0.229	25%	0.248	C	C	.	.			trans	-65	95	-172.6	-55.8	-86	157.6	0	0	110.4	G47 A70 F75 R79	G47-E73 PolarHBondContact N-OE1 3.49Å; G47-E73 VanDerWaalsContact N-OE1 3.09Å; A70-E73 HydrophobicContact CB-CG 3.43Å; A70-E73 VanDerWaalsContact CB-CG 3.43Å; A70-E73 WeakPolarHBondContact CB-OE1 3.43Å; E73-F75 PolarHBondContact O-N 3.02Å; E73-F75 VanDerWaalsContact O-N 3.1Å; E73-R79 HydrophobicContact CB-CG 4.4Å; E73-R79 PolarHBondContact O-NE 3.35Å; E73-R79 PolarHBondContact O-NH2 2.96Å
74	K	57.7	Low	80.6	Confident	186 Å²	186	47.9 Å²	47.9	81%	0.809	26%	0.261	S	S	*	.			trans	-68.5	-11.3	-173.6	-65.1	-175.2	-179.8	179.6	0	114.4	Q72	Q72-K74 PolarHBondContact O-N 3.03Å
75	F	51.6	Low	80.4	Confident	172 Å²	172	54.6 Å²	54.6	75%	0.754	29%	0.293	S	S	*	.			trans	-114	107.2	-172.2	-59	-74.5	0	0	0	110.5	E73 G77	E73-F75 PolarHBondContact O-N 3.02Å; E73-F75 VanDerWaalsContact O-N 3.1Å; F75-G77 PolarHBondContact O-N 2.97Å; F75-G77 VanDerWaalsContact O-N 3.1Å
76	G	54.8	Low	80.3	Confident	32 Å²	32	54 Å²	54	33%	0.33	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.1	-171.5	0	0	0	0	0	116.1	L78 R79	G76-L78 PolarHBondContact O-N 3.24Å; G76-R79 WeakPolarHBondContact O-CB 3.36Å; G76-R79 PolarHBondContact O-N 3.41Å
77	G	57.9	Low	80.4	Confident	65 Å²	65	57.8 Å²	57.8	67%	0.67	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-38.1	-173.6	0	0	0	0	0	115.2	F75 R79	F75-G77 PolarHBondContact O-N 2.97Å; F75-G77 VanDerWaalsContact O-N 3.1Å; G77-R79 VanDerWaalsContact C-N 3.33Å
78	L	64.2	Low	80.5	Confident	115 Å²	115	57.1 Å²	57.1	60%	0.602	31%	0.308	S	S	*	.	H	α-helix	trans	-72.8	-27.5	176.9	-87.7	139.9	0	0	0	112.5	G76	G76-L78 PolarHBondContact O-N 3.24Å
79	R	75	Confident	80.7	Confident	25 Å²	25	57.1 Å²	57.1	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-38.1	-175.3	-65.8	-178.8	177	-169.6	-9.5	112.6	E73 G76 G77 G81 Y82 Y83	E73-R79 HydrophobicContact CB-CG 4.4Å; E73-R79 PolarHBondContact O-NE 3.35Å; E73-R79 PolarHBondContact O-NH2 2.96Å; G76-R79 WeakPolarHBondContact O-CB 3.36Å; G76-R79 PolarHBondContact O-N 3.41Å; G77-R79 VanDerWaalsContact C-N 3.33Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-Y82 WeakPolarHBondContact O-CB 3.3Å; R79-Y82 PolarHBondContact O-N 2.85Å; R79-Y83 HydrophobicContact CB-CE2 4.11Å; R79-Y83 PolarHBondContact O-N 3.43Å
80	D	82.8	Confident	81	Confident	36 Å²	36	57 Å²	57	19%	0.193	31%	0.306	C	S	.	.	H	α-helix	trans	-54.2	-41.1	-179.5	-79.6	31.4	0	0	0	111.7	Y82 Y83 I84 R113 V114	D80-Y82 PolarHBondContact O-N 3.47Å; D80-Y83 WeakPolarHBondContact O-CB 3.37Å; D80-Y83 PolarHBondContact O-N 2.94Å; D80-I84 WeakPolarHBondContact O-CG1 3.49Å; D80-I84 PolarHBondContact O-N 2.84Å; D80-R113 IonicContact OD1-CZ 3.8Å; D80-R113 IonicContact OD1-NH2 3.17Å; D80-R113 PolarHBondContact OD1-NH2 2.92Å; D80-R113 VanDerWaalsContact OD1-NH2 3.16Å; D80-R113 IonicContact OD2-CZ 3.91Å; D80-R113 IonicContact OD2-NE 2.71Å; D80-R113 PolarHBondContact OD2-NE 2.89Å; D80-R113 IonicContact OD2-NH2 2.8Å; D80-R113 PolarHBondContact OD2-NH2 2.91Å; D80-V114 HydrophobicContact CB-CG2 3.93Å
81	G	87.7	Confident	81.5	Confident	41 Å²	41	56.9 Å²	56.9	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-33.8	177.7	0	0	0	0	0	113.3	R79 Y83	R79-G81 PolarHBondContact O-N 3.26Å; G81-Y83 VanDerWaalsContact C-N 3.32Å
82	Y	90.2	Very high	82.3	Confident	42 Å²	42	56.3 Å²	56.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-72.2	-28.6	175.6	-53.6	-38.6	0	0	0	112.1	K15 G47 V48 W67 T69 R79 D80	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.04Å; K15-Y82 PolarHBondContact NZ-O 3.49Å; G47-Y82 WeakPolarHBondContact CA-OH 3.41Å; V48-Y82 HydrophobicContact CB-CD1 3.95Å; V48-Y82 HydrophobicContact CB-CD2 4.47Å; V48-Y82 HydrophobicContact CB-CE1 3.94Å; V48-Y82 HydrophobicContact CB-CE2 4.46Å; V48-Y82 HydrophobicContact CB-CG 4.23Å; V48-Y82 HydrophobicContact CG1-CD1 3.62Å; V48-Y82 HydrophobicContact CG1-CE1 3.46Å; V48-Y82 VanDerWaalsContact CG1-CE1 3.46Å; V48-Y82 HydrophobicContact CG1-CG 4.39Å; W67-Y82 HydrophobicContact CE3-CD1 4.49Å; W67-Y82 HydrophobicContact CZ3-CD1 4.31Å; T69-Y82 HydrophobicContact CG2-CD2 4.33Å; R79-Y82 WeakPolarHBondContact O-CB 3.3Å; R79-Y82 PolarHBondContact O-N 2.85Å; D80-Y82 PolarHBondContact O-N 3.47Å
83	Y	92.5	Very high	83.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-79.6	-31.2	-177.5	-55.6	-19.4	0	0	0	112.5	V17 V19 R79 D80 G81 H85 G86 D110 L111 V114 C115	V17-Y83 HydrophobicContact CG1-CD1 3.63Å; V17-Y83 HydrophobicContact CG1-CE1 3.88Å; V19-Y83 HydrophobicContact CG1-CD1 4.46Å; V19-Y83 HydrophobicContact CG1-CE1 3.52Å; R79-Y83 HydrophobicContact CB-CE2 4.11Å; R79-Y83 PolarHBondContact O-N 3.43Å; D80-Y83 WeakPolarHBondContact O-CB 3.37Å; D80-Y83 PolarHBondContact O-N 2.94Å; G81-Y83 VanDerWaalsContact C-N 3.32Å; Y83-H85 PolarHBondContact O-N 2.78Å; Y83-G86 PolarHBondContact O-N 3.38Å; Y83-D110 HydrophobicContact CE2-CB 4.28Å; Y83-L111 HydrophobicContact CD1-CD1 4.17Å; Y83-L111 HydrophobicContact CD2-CD1 4.46Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; Y83-V114 HydrophobicContact CD2-CB 4.35Å; Y83-V114 HydrophobicContact CD2-CG2 4.04Å; Y83-C115 PolarHBondContact O-SG 2.77Å
84	I	92.6	Very high	84.9	Confident	78 Å²	78	49.1 Å²	49.1	40%	0.4	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	127.8	-175.5	-57.1	179.3	0	0	0	111.7	K15 D80 G86 V114	K15-I84 PolarHBondContact NZ-O 2.89Å; D80-I84 WeakPolarHBondContact O-CG1 3.49Å; D80-I84 PolarHBondContact O-N 2.84Å; I84-G86 PolarHBondContact O-N 2.88Å; I84-V114 HydrophobicContact CB-CG1 4.47Å; I84-V114 HydrophobicContact CG1-CG1 3.96Å
85	H	93.5	Very high	86.8	Confident	142 Å²	142	40.3 Å²	40.3	66%	0.657	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	20.7	-176.3	-47.6	-55.5	0	0	0	115.4	Y83 Q87	Y83-H85 PolarHBondContact O-N 2.78Å; H85-Q87 PolarHBondContact O-N 3.16Å
86	G	96.3	Very high	89	Confident	7 Å²	7	33.9 Å²	33.9	7%	0.072	20%	0.203	C	C	.	.			trans	-56.5	133.1	165.6	0	0	0	0	0	110	Y83 I84 I118	Y83-G86 PolarHBondContact O-N 3.38Å; I84-G86 PolarHBondContact O-N 2.88Å; G86-I118 WeakPolarHBondContact O-CG2 3.32Å
87	Q	97.9	Very high	91	Very high	81 Å²	81	34 Å²	34	38%	0.379	20%	0.201	S	C	.	.			trans	-102.9	-22.2	178.4	-70	166.9	-82.2	0	0	111.6	F14 K15 H85 P119 L171	F14-Q87 VanDerWaalsContact CA-OE1 3.27Å; K15-Q87 PolarHBondContact O-N 3.26Å; H85-Q87 PolarHBondContact O-N 3.16Å; Q87-P119 WeakPolarHBondContact O-CD 3.15Å; Q87-L171 HydrophobicContact CB-CD2 4.33Å
88	C	98.6	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	165.2	173.6	58.8	0	0	0	0	109.9	K15 L16 V17 P119 L167 L171	K15-C88 PolarHBondContact O-N 3.14Å; L16-C88 WeakPolarHBondContact CA-O 3.45Å; V17-C88 PolarHBondContact N-O 3.2Å; C88-P119 VanDerWaalsContact CA-O 3.29Å; C88-P119 WeakPolarHBondContact CA-O 3.41Å; C88-P119 HydrophobicContact CB-CG 3.97Å; C88-L167 HydrophobicContact CB-CD1 4.13Å; C88-L167 HydrophobicContact CB-CD2 3.81Å; C88-L167 HydrophobicContact CB-CG 4.37Å; C88-L171 HydrophobicContact CB-CD1 4.02Å; C88-L171 HydrophobicContact CB-CD2 4.5Å
89	A	98.4	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.6	176.3	0	0	0	0	0	114.4	V17 L111 I118 P119 I120 V121	V17-A89 HydrophobicContact CB-CB 4.43Å; V17-A89 CarbonylContact O-C 3.55Å; V17-A89 WeakPolarHBondContact O-CA 3.34Å; V17-A89 VanDerWaalsContact O-CB 3.32Å; V17-A89 WeakPolarHBondContact O-CB 2.95Å; A89-L111 HydrophobicContact CB-CD1 4.23Å; A89-L111 HydrophobicContact CB-CD2 3.39Å; A89-L111 HydrophobicContact CB-CG 4.43Å; A89-I118 HydrophobicContact CB-CD1 4.04Å; A89-P119 PolarHBondContact N-O 3.42Å; A89-I120 HydrophobicContact CB-CG1 4.21Å; A89-I120 WeakPolarHBondContact O-CA 3.35Å; A89-V121 PolarHBondContact O-N 3.16Å
90	I	98.7	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.1	166.7	-64.7	176.5	0	0	0	107.8	L16 V17 I18 V19 F29 V121 C123 P163 F164 L167	L16-I90 HydrophobicContact CD1-CD1 4.06Å; L16-I90 HydrophobicContact CD1-CG1 4.29Å; L16-I90 HydrophobicContact CD2-CD1 4.29Å; L16-I90 HydrophobicContact CD2-CG1 4.38Å; V17-I90 PolarHBondContact O-N 2.84Å; I18-I90 WeakPolarHBondContact CA-O 3.48Å; I18-I90 HydrophobicContact CB-CB 4.48Å; I18-I90 HydrophobicContact CD1-CB 4.45Å; I18-I90 HydrophobicContact CD1-CG2 4.25Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.1Å; V19-I90 PolarHBondContact N-O 2.83Å; F29-I90 HydrophobicContact CE1-CD1 4.05Å; I90-V121 CarbonylContact C-O 3.57Å; I90-V121 WeakPolarHBondContact CA-O 3.47Å; I90-V121 HydrophobicContact CG1-CB 4.46Å; I90-C123 HydrophobicContact CG2-CB 4.21Å; I90-P163 HydrophobicContact CD1-CB 3.84Å; I90-P163 HydrophobicContact CG1-CB 4.46Å; I90-F164 HydrophobicContact CD1-CZ 4.37Å; I90-L167 HydrophobicContact CD1-CD1 4.35Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å
91	I	98	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.8	168.5	-53.1	179.9	0	0	0	107.2	V19 V104 W107 H108 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.24Å; V19-I91 HydrophobicContact CG2-CG1 3.73Å; V19-I91 HydrophobicContact CG2-CG2 4.3Å; V19-I91 WeakPolarHBondContact O-CA 3.37Å; I91-V104 HydrophobicContact CG2-CG1 4.16Å; I91-V104 HydrophobicContact CG2-CG2 4.31Å; I91-W107 HydrophobicContact CG2-CB 4.12Å; I91-H108 HydrophobicContact CD1-CB 3.74Å; I91-I120 HydrophobicContact CD1-CG2 3.89Å; I91-I120 HydrophobicContact CG1-CG2 3.89Å; I91-V121 PolarHBondContact N-O 3.01Å; I91-L122 HydrophobicContact CB-CD1 4.15Å; I91-L122 HydrophobicContact CG2-CD1 4.15Å; I91-L122 CarbonylContact O-C 3.59Å; I91-L122 WeakPolarHBondContact O-CA 3.07Å; I91-C123 PolarHBondContact O-N 3.38Å
92	M	98.5	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.3	-177.5	-167.7	172.9	-70.2	0	0	111.6	I18 V19 G20 G25 K26 F29 C123 N125 I152	I18-M92 HydrophobicContact CD1-CE 3.95Å; V19-M92 PolarHBondContact O-N 2.66Å; G20-M92 WeakPolarHBondContact CA-O 3.45Å; G25-M92 VanDerWaalsContact C-SD 3.6Å; K26-M92 HydrophobicContact CG-CB 4.03Å; K26-M92 HydrophobicContact CG-SD 4.07Å; F29-M92 HydrophobicContact CB-CE 3.88Å; F29-M92 HydrophobicContact CD1-CE 3.88Å; F29-M92 HydrophobicContact CD2-CE 4.44Å; F29-M92 HydrophobicContact CG-CE 3.82Å; M92-C123 WeakPolarHBondContact CA-O 2.95Å; M92-N125 HydrophobicContact CG-CB 4.03Å; M92-N125 HydrophobicContact SD-CB 3.92Å; M92-I152 HydrophobicContact CE-CD1 3.84Å
93	F	98.4	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	167.4	165.7	74.2	-85.9	0	0	0	110.4	V95 Y101 V104 L122 C123 N125 V134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.97Å; F93-V95 HydrophobicContact CZ-CG1 4.49Å; F93-Y101 AromaticContact CD1-CD2 3.9Å; F93-Y101 HydrophobicContact CD1-CD2 3.9Å; F93-Y101 AromaticContact CD2-CD2 3.91Å; F93-Y101 HydrophobicContact CD2-CD2 3.91Å; F93-Y101 HydrophobicContact CD2-CG 4.27Å; F93-Y101 AromaticContact CE1-CD2 3.83Å; F93-Y101 HydrophobicContact CE1-CD2 3.83Å; F93-Y101 HydrophobicContact CE1-CE2 4.18Å; F93-Y101 AromaticContact CE2-CD2 3.86Å; F93-Y101 HydrophobicContact CE2-CD2 3.86Å; F93-Y101 HydrophobicContact CE2-CG 4.3Å; F93-Y101 AromaticContact CG-CD2 3.92Å; F93-Y101 HydrophobicContact CG-CD2 3.92Å; F93-Y101 AromaticContact CZ-CD2 3.81Å; F93-Y101 HydrophobicContact CZ-CD2 3.81Å; F93-Y101 HydrophobicContact CZ-CE2 4.27Å; F93-V104 HydrophobicContact CB-CG2 3.98Å; F93-V104 HydrophobicContact CD1-CG2 4.19Å; F93-V104 HydrophobicContact CG-CG2 4.35Å; F93-L122 HydrophobicContact CD1-CD1 3.83Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.08Å; F93-L122 HydrophobicContact CE1-CD2 4.18Å; F93-L122 HydrophobicContact CE1-CG 3.96Å; F93-C123 VanDerWaalsContact CD1-O 3.28Å; F93-C123 WeakPolarHBondContact CD1-O 3.2Å; F93-C123 PolarHBondContact N-O 2.86Å; F93-N125 PolarHBondContact O-N 3.03Å; F93-V134 HydrophobicContact CE2-CB 4.3Å; F93-V134 HydrophobicContact CE2-CG1 4Å; F93-V139 HydrophobicContact CE1-CG1 4.29Å; F93-V139 HydrophobicContact CE2-CG2 4.49Å; F93-V139 HydrophobicContact CZ-CG1 4.07Å; F93-V139 HydrophobicContact CZ-CG2 3.91Å; F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.88Å; F93-Y149 HydrophobicContact CZ-CE2 3.88Å
94	D	97.9	Very high	97	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.8	178.8	179	-13	0	0	0	109.4	T24 T96 A97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.3Å; D94-T96 PolarHBondContact O-N 3.05Å; D94-T96 VanDerWaalsContact O-N 3.1Å; D94-T96 WeakPolarHBondContact OD1-CA 3.43Å; D94-T96 WeakPolarHBondContact OD1-CB 3.31Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.68Å; D94-T96 PolarHBondContact OD2-OG1 3.46Å; D94-A97 HydrophobicContact CB-CB 4.18Å; D94-A97 PolarHBondContact O-N 3.33Å; D94-T100 HydrophobicContact CB-CG2 4.32Å; D94-T100 PolarHBondContact N-OG1 2.96Å; D94-T100 PolarHBondContact O-OG1 2.71Å; D94-K126 WeakPolarHBondContact OD2-CD 3.26Å; D94-K126 WeakPolarHBondContact OD2-CE 3.41Å; D94-K126 IonicContact OD2-NZ 3.16Å; D94-K126 PolarHBondContact OD2-NZ 2.93Å
95	V	97.8	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.9	-178.8	-56.5	0	0	0	0	113.2	F93 N125 V127 R132 Q133 V134	F93-V95 HydrophobicContact CE2-CG1 3.97Å; F93-V95 HydrophobicContact CZ-CG1 4.49Å; V95-N125 WeakPolarHBondContact CG2-O 3.02Å; V95-N125 PolarHBondContact N-O 3.07Å; V95-V127 HydrophobicContact CG1-CG1 3.88Å; V95-V127 HydrophobicContact CG2-CG1 4.04Å; V95-R132 HydrophobicContact CB-CG 4.22Å; V95-R132 HydrophobicContact CG2-CG 4.23Å; V95-Q133 PolarHBondContact O-N 3.28Å; V95-V134 PolarHBondContact O-N 3.39Å
96	T	97.5	Very high	97.1	Very high	38 Å²	38	33.4 Å²	33.4	23%	0.233	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.4	176.7	74.6	0	0	0	0	113.4	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 3.05Å; D94-T96 VanDerWaalsContact O-N 3.1Å; D94-T96 WeakPolarHBondContact OD1-CA 3.43Å; D94-T96 WeakPolarHBondContact OD1-CB 3.31Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.68Å; D94-T96 PolarHBondContact OD2-OG1 3.46Å; T96-K126 HydrophobicContact CG2-CB 4.44Å; T96-V129 HydrophobicContact CG2-CB 3.61Å; T96-V129 HydrophobicContact CG2-CG1 3.7Å; T96-V129 HydrophobicContact CG2-CG2 4.22Å; T96-Q133 WeakPolarHBondContact O-CG 3.18Å
97	A	96.9	Very high	97	Very high	34 Å²	34	33.4 Å²	33.4	28%	0.281	17%	0.172	S	C	.	.			trans	-134.2	97.6	-177.6	0	0	0	0	0	111.7	D94 L99 T100	D94-A97 HydrophobicContact CB-CB 4.18Å; D94-A97 PolarHBondContact O-N 3.33Å; A97-L99 PolarHBondContact O-N 3.49Å; A97-L99 VanDerWaalsContact O-N 3.12Å; A97-T100 HydrophobicContact CB-CG2 3.84Å; A97-T100 WeakPolarHBondContact O-CB 3.48Å; A97-T100 PolarHBondContact O-N 2.97Å; A97-T100 PolarHBondContact O-OG1 3.27Å
98	R	96.5	Very high	96.9	Very high	96 Å²	96	30.6 Å²	30.6	36%	0.362	16%	0.159	S	C	.	.	H	α-helix	trans	-51	-40.3	-176.3	-60.5	-172.9	-177.2	178.3	-0.6	113.8	T100 Y101 K102 Q133 V134 E221	R98-T100 PolarHBondContact O-N 3.45Å; R98-Y101 PolarHBondContact O-N 3.28Å; R98-Y101 VanDerWaalsContact O-N 3.09Å; R98-K102 PolarHBondContact O-N 2.99Å; R98-Q133 HydrophobicContact CG-CB 3.82Å; R98-Q133 PolarHBondContact NE-O 3.48Å; R98-V134 HydrophobicContact CB-CG2 4.47Å; R98-V134 HydrophobicContact CG-CG2 4.33Å; R98-E221 PolarHBondContact NH1-O 3.46Å; R98-E221 PolarHBondContact NH1-OXT 2.68Å
99	L	95.9	Very high	96.6	Very high	115 Å²	115	37.7 Å²	37.7	60%	0.602	19%	0.186	S	C	*	.	H	α-helix	trans	-57.3	-37	-179.5	-175.9	62.1	0	0	0	112.2	A97 Y101 K102 N103	A97-L99 PolarHBondContact O-N 3.49Å; A97-L99 VanDerWaalsContact O-N 3.12Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 2.91Å; L99-K102 WeakPolarHBondContact O-CB 3.37Å; L99-K102 PolarHBondContact O-N 3.39Å; L99-N103 PolarHBondContact O-N 3.5Å; L99-N103 PolarHBondContact O-ND2 2.7Å
100	T	96.9	Very high	96.3	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.08	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-32.9	-179.5	70.1	0	0	0	0	112.2	D21 T24 D94 A97 R98	D21-T100 HydrophobicContact CB-CG2 3.82Å; D21-T100 WeakPolarHBondContact OD2-CA 3.31Å; T24-T100 HydrophobicContact CG2-CG2 3.92Å; D94-T100 HydrophobicContact CB-CG2 4.32Å; D94-T100 PolarHBondContact N-OG1 2.96Å; D94-T100 PolarHBondContact O-OG1 2.71Å; A97-T100 HydrophobicContact CB-CG2 3.84Å; A97-T100 WeakPolarHBondContact O-CB 3.48Å; A97-T100 PolarHBondContact O-N 2.97Å; A97-T100 PolarHBondContact O-OG1 3.27Å; R98-T100 PolarHBondContact O-N 3.45Å
101	Y	97.7	Very high	96.1	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-73.5	-42.6	172.7	-175.2	-114.2	0	0	0	111.6	F93 R98 L99 N103 V104 L122 V134 V139 T140 F141 F220	F93-Y101 AromaticContact CD1-CD2 3.9Å; F93-Y101 HydrophobicContact CD1-CD2 3.9Å; F93-Y101 AromaticContact CD2-CD2 3.91Å; F93-Y101 HydrophobicContact CD2-CD2 3.91Å; F93-Y101 HydrophobicContact CD2-CG 4.27Å; F93-Y101 AromaticContact CE1-CD2 3.83Å; F93-Y101 HydrophobicContact CE1-CD2 3.83Å; F93-Y101 HydrophobicContact CE1-CE2 4.18Å; F93-Y101 AromaticContact CE2-CD2 3.86Å; F93-Y101 HydrophobicContact CE2-CD2 3.86Å; F93-Y101 HydrophobicContact CE2-CG 4.3Å; F93-Y101 AromaticContact CG-CD2 3.92Å; F93-Y101 HydrophobicContact CG-CD2 3.92Å; F93-Y101 AromaticContact CZ-CD2 3.81Å; F93-Y101 HydrophobicContact CZ-CD2 3.81Å; F93-Y101 HydrophobicContact CZ-CE2 4.27Å; R98-Y101 PolarHBondContact O-N 3.28Å; R98-Y101 VanDerWaalsContact O-N 3.09Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 2.91Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.13Å; Y101-V104 HydrophobicContact CD2-CG2 4.04Å; Y101-V104 VanDerWaalsContact O-CB 3.26Å; Y101-V104 WeakPolarHBondContact O-CB 3.28Å; Y101-V104 WeakPolarHBondContact O-CG2 3.29Å; Y101-V104 PolarHBondContact O-N 3.47Å; Y101-L122 HydrophobicContact CE2-CD2 4.32Å; Y101-V134 HydrophobicContact CD1-CG1 4.03Å; Y101-V134 HydrophobicContact CG-CG1 3.98Å; Y101-V139 HydrophobicContact CE2-CB 4.42Å; Y101-V139 HydrophobicContact CE2-CG1 3.73Å; Y101-V139 HydrophobicContact CE2-CG2 4.49Å; Y101-V139 VanDerWaalsContact OH-CA 3.31Å; Y101-V139 WeakPolarHBondContact OH-CA 3.38Å; Y101-T140 PolarHBondContact OH-N 3.42Å; Y101-F141 HydrophobicContact CE2-CB 4.41Å; Y101-F141 VanDerWaalsContact OH-CB 3.28Å; Y101-F141 WeakPolarHBondContact OH-CB 3.47Å; Y101-F141 PolarHBondContact OH-N 2.97Å; Y101-F220 HydrophobicContact CD1-CE2 4.43Å; Y101-F220 AromaticContact CD1-CZ 3.82Å; Y101-F220 HydrophobicContact CD1-CZ 3.82Å; Y101-F220 AromaticContact CE1-CZ 3.95Å; Y101-F220 HydrophobicContact CE1-CZ 3.95Å
102	K	96.2	Very high	95.9	Very high	137 Å²	137	40.4 Å²	40.4	60%	0.596	20%	0.203	S	C	*	.	H	α-helix	trans	-57.2	-28.5	175.5	-172.5	173.4	-178.3	170.6	0	112.8	R98 L99 P105	R98-K102 PolarHBondContact O-N 2.99Å; L99-K102 WeakPolarHBondContact O-CB 3.37Å; L99-K102 PolarHBondContact O-N 3.39Å; K102-P105 WeakPolarHBondContact O-CD 3.42Å
103	N	95.5	Very high	95.6	Very high	47 Å²	47	48 Å²	48	25%	0.251	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10	178	-70.6	-22.5	0	0	0	114.3	D21 L99 Y101 P105 T106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.24Å; D21-N103 PolarHBondContact OD1-ND2 3.38Å; D21-N103 PolarHBondContact OD2-ND2 3.41Å; L99-N103 PolarHBondContact O-N 3.5Å; L99-N103 PolarHBondContact O-ND2 2.7Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.13Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; N103-T106 WeakPolarHBondContact O-CB 3.3Å; N103-T106 PolarHBondContact O-N 3.07Å; N103-T106 VanDerWaalsContact O-N 3.08Å; N103-W107 PolarHBondContact O-N 2.89Å
104	V	96.7	Very high	95.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-53.6	-44.5	178.6	167.7	0	0	0	0	113.1	I91 F93 Y101 T106 W107 H108 L122 F141	I91-V104 HydrophobicContact CG2-CG1 4.16Å; I91-V104 HydrophobicContact CG2-CG2 4.31Å; F93-V104 HydrophobicContact CB-CG2 3.98Å; F93-V104 HydrophobicContact CD1-CG2 4.19Å; F93-V104 HydrophobicContact CG-CG2 4.35Å; Y101-V104 HydrophobicContact CD2-CG2 4.04Å; Y101-V104 VanDerWaalsContact O-CB 3.26Å; Y101-V104 WeakPolarHBondContact O-CB 3.28Å; Y101-V104 WeakPolarHBondContact O-CG2 3.29Å; Y101-V104 PolarHBondContact O-N 3.47Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 PolarHBondContact O-N 3.28Å; V104-W107 PolarHBondContact O-N 3.49Å; V104-H108 WeakPolarHBondContact O-CB 3.49Å; V104-H108 PolarHBondContact O-N 2.89Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.97Å; V104-F141 HydrophobicContact CG1-CD1 3.43Å; V104-F141 VanDerWaalsContact CG1-CD1 3.43Å; V104-F141 HydrophobicContact CG1-CE1 3.69Å; V104-F141 HydrophobicContact CG1-CG 4.04Å; V104-F141 HydrophobicContact CG1-CZ 4.48Å
105	P	96	Very high	95.2	Very high	57 Å²	57	50 Å²	50	37%	0.37	24%	0.244	S	C	.	.	H	α-helix	trans	-57.1	-37.9	176.6	-25.3	34.4	0	0	0	113.7	K102 N103 R109 F141	K102-P105 WeakPolarHBondContact O-CD 3.42Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.44Å; P105-R109 PolarHBondContact O-N 2.9Å; P105-F141 HydrophobicContact CB-CD2 4.37Å; P105-F141 HydrophobicContact CB-CE2 3.71Å; P105-F141 HydrophobicContact CB-CZ 4.22Å; P105-F141 HydrophobicContact CG-CD2 3.81Å; P105-F141 HydrophobicContact CG-CE2 3.67Å; P105-F141 HydrophobicContact CG-CZ 4.42Å
106	T	93.4	Very high	94.8	Very high	54 Å²	54	57.3 Å²	57.3	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-50.2	176.7	-60.7	0	0	0	0	110.8	N103 V104 H108 R109 D110	N103-T106 WeakPolarHBondContact O-CB 3.3Å; N103-T106 PolarHBondContact O-N 3.07Å; N103-T106 VanDerWaalsContact O-N 3.08Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 PolarHBondContact O-N 3.28Å; T106-H108 VanDerWaalsContact C-N 3.33Å; T106-H108 PolarHBondContact O-N 3.15Å; T106-R109 PolarHBondContact O-N 2.98Å; T106-D110 PolarHBondContact O-N 3.35Å
107	W	94.3	Very high	94.5	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.027	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-42.9	177.3	-71.8	110.2	0	0	0	112.6	V19 G20 D21 I91 N103 V104 L111	V19-W107 HydrophobicContact CB-CD2 4.39Å; V19-W107 HydrophobicContact CB-CE3 3.73Å; V19-W107 HydrophobicContact CB-CZ3 4.05Å; V19-W107 HydrophobicContact CG1-CE3 4.42Å; V19-W107 HydrophobicContact CG2-CB 4.26Å; V19-W107 HydrophobicContact CG2-CE3 4.3Å; G20-W107 VanDerWaalsContact O-CZ2 3.23Å; G20-W107 WeakPolarHBondContact O-CZ2 3.34Å; D21-W107 PolarHBondContact OD1-NE1 3Å; I91-W107 HydrophobicContact CG2-CB 4.12Å; N103-W107 PolarHBondContact O-N 2.89Å; V104-W107 PolarHBondContact O-N 3.49Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.39Å; W107-L111 PolarHBondContact O-N 3.36Å
108	H	95.1	Very high	94.5	Very high	21 Å²	21	63 Å²	63	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-47.6	176.5	175.9	-78.5	0	0	0	111.6	I91 V104 T106 D110 L111 C112 F141	I91-H108 HydrophobicContact CD1-CB 3.74Å; V104-H108 WeakPolarHBondContact O-CB 3.49Å; V104-H108 PolarHBondContact O-N 2.89Å; T106-H108 VanDerWaalsContact C-N 3.33Å; T106-H108 PolarHBondContact O-N 3.15Å; H108-D110 PolarHBondContact O-N 3.25Å; H108-L111 PolarHBondContact O-N 3.05Å; H108-C112 PolarHBondContact CE1-SG 3.09Å; H108-C112 WeakPolarHBondContact O-CB 3.23Å; H108-C112 PolarHBondContact O-N 3Å; H108-C112 PolarHBondContact O-SG 3.45Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; H108-F141 HydrophobicContact CB-CE1 3.7Å; H108-F141 HydrophobicContact CB-CZ 3.63Å; H108-F141 AromaticContact CD2-CE1 3.85Å; H108-F141 AromaticContact CG-CE1 3.75Å; H108-F141 AromaticContact CG-CZ 3.65Å
109	R	93.1	Very high	94.6	Very high	150 Å²	150	59.8 Å²	59.8	57%	0.566	29%	0.294	S	S	*	.	H	α-helix	trans	-58	-48.5	178.3	179.3	-162.3	66.2	-157	-2.5	111.2	P105 T106 L111 C112 R113	P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.44Å; P105-R109 PolarHBondContact O-N 2.9Å; T106-R109 PolarHBondContact O-N 2.98Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.19Å; R109-C112 PolarHBondContact O-N 2.8Å; R109-R113 PolarHBondContact O-N 2.94Å
110	D	92.1	Very high	94.7	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-39	-177	-63.2	-7.9	0	0	0	110.9	Y83 T106 H108 R113	Y83-D110 HydrophobicContact CE2-CB 4.28Å; T106-D110 PolarHBondContact O-N 3.35Å; H108-D110 PolarHBondContact O-N 3.25Å; D110-R113 WeakPolarHBondContact O-CB 3.48Å; D110-R113 PolarHBondContact O-N 3Å
111	L	93.4	Very high	94.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-50.5	173.6	-178.8	71.6	0	0	0	111.9	V17 Y83 A89 W107 H108 R109 R113 V114 C115 I118 I120	V17-L111 HydrophobicContact CB-CD1 4.48Å; V17-L111 HydrophobicContact CG1-CD1 4.5Å; Y83-L111 HydrophobicContact CD1-CD1 4.17Å; Y83-L111 HydrophobicContact CD2-CD1 4.46Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; A89-L111 HydrophobicContact CB-CD1 4.23Å; A89-L111 HydrophobicContact CB-CD2 3.39Å; A89-L111 HydrophobicContact CB-CG 4.43Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.39Å; W107-L111 PolarHBondContact O-N 3.36Å; H108-L111 PolarHBondContact O-N 3.05Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.19Å; L111-R113 PolarHBondContact O-N 2.82Å; L111-V114 PolarHBondContact O-N 3.07Å; L111-C115 PolarHBondContact O-N 2.76Å; L111-I118 HydrophobicContact CD1-CD1 4.48Å; L111-I118 HydrophobicContact CD2-CD1 4.38Å; L111-I118 HydrophobicContact CG-CD1 4.49Å; L111-I120 HydrophobicContact CD2-CD1 3.73Å; L111-I120 HydrophobicContact CD2-CG1 4.07Å
112	C	94	Very high	94.8	Very high	40 Å²	40	53.6 Å²	53.6	27%	0.27	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-19.9	-178.5	-70.7	0	0	0	0	113.5	H108 R109 V114	H108-C112 PolarHBondContact CE1-SG 3.09Å; H108-C112 WeakPolarHBondContact O-CB 3.23Å; H108-C112 PolarHBondContact O-N 3Å; H108-C112 PolarHBondContact O-SG 3.45Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; R109-C112 PolarHBondContact O-N 2.8Å; C112-V114 PolarHBondContact O-N 3.23Å
113	R	92.4	Very high	95	Very high	161 Å²	161	47 Å²	47	61%	0.608	23%	0.233	S	C	*	.	H	α-helix	trans	-63.4	-30.3	170.9	-173.2	174.7	88.6	-178.1	5.4	112.3	D80 R109 D110 L111	D80-R113 IonicContact OD1-CZ 3.8Å; D80-R113 IonicContact OD1-NH2 3.17Å; D80-R113 PolarHBondContact OD1-NH2 2.92Å; D80-R113 VanDerWaalsContact OD1-NH2 3.16Å; D80-R113 IonicContact OD2-CZ 3.91Å; D80-R113 IonicContact OD2-NE 2.71Å; D80-R113 PolarHBondContact OD2-NE 2.89Å; D80-R113 IonicContact OD2-NH2 2.8Å; D80-R113 PolarHBondContact OD2-NH2 2.91Å; R109-R113 PolarHBondContact O-N 2.94Å; D110-R113 WeakPolarHBondContact O-CB 3.48Å; D110-R113 PolarHBondContact O-N 3Å; L111-R113 PolarHBondContact O-N 2.82Å
114	V	94.2	Very high	95.1	Very high	43 Å²	43	44.8 Å²	44.8	26%	0.261	22%	0.221	S	C	.	.	H	α-helix	trans	-105.9	-37.9	-175.7	-175.2	0	0	0	0	112	D80 Y83 I84 L111 C112	D80-V114 HydrophobicContact CB-CG2 3.93Å; Y83-V114 HydrophobicContact CD2-CB 4.35Å; Y83-V114 HydrophobicContact CD2-CG2 4.04Å; I84-V114 HydrophobicContact CB-CG1 4.47Å; I84-V114 HydrophobicContact CG1-CG1 3.96Å; L111-V114 PolarHBondContact O-N 3.07Å; C112-V114 PolarHBondContact O-N 3.23Å
115	C	93.4	Very high	95.2	Very high	8 Å²	8	45 Å²	45	5%	0.054	22%	0.222	C	C	.	.	S	Bend	trans	-117.2	97.3	-179.4	-69.2	0	0	0	0	110.4	Y83 L111 I118	Y83-C115 PolarHBondContact O-SG 2.77Å; L111-C115 PolarHBondContact O-N 2.76Å; C115-I118 HydrophobicContact CB-CD1 3.58Å; C115-I118 HydrophobicContact CB-CG1 3.93Å; C115-I118 HydrophobicContact CB-CG2 4.13Å
116	E	89.5	Confident	95.2	Very high	153 Å²	153	45.1 Å²	45.1	72%	0.715	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	137.7	173.9	-64.3	-176.6	-173.4	0	0	110.9	I118	E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.07Å
117	N	91	Very high	95.4	Very high	161 Å²	161	42.9 Å²	42.9	86%	0.861	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	28.7	168.8	-55.5	-47.1	0	0	0	117
118	I	97	Very high	95.4	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.149	21%	0.211	C	C	.	.			trans	-84.7	147.6	172.4	60.8	165.3	0	0	0	111.8	G86 A89 L111 C115 E116 I120	G86-I118 WeakPolarHBondContact O-CG2 3.32Å; A89-I118 HydrophobicContact CB-CD1 4.04Å; L111-I118 HydrophobicContact CD1-CD1 4.48Å; L111-I118 HydrophobicContact CD2-CD1 4.38Å; L111-I118 HydrophobicContact CG-CD1 4.49Å; C115-I118 HydrophobicContact CB-CD1 3.58Å; C115-I118 HydrophobicContact CB-CG1 3.93Å; C115-I118 HydrophobicContact CB-CG2 4.13Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.07Å; I118-I120 HydrophobicContact CD1-CG1 4.43Å; I118-I120 HydrophobicContact CG1-CD1 4.34Å; I118-I120 HydrophobicContact CG1-CG1 4.05Å; I118-I120 WeakPolarHBondContact O-CG1 3.34Å; I118-I120 PolarHBondContact O-N 3.44Å
119	P	98.2	Very high	95.4	Very high	30 Å²	30	46 Å²	46	20%	0.195	22%	0.223	C	C	.	.			trans	-63.6	128.8	169.8	25.8	-34.4	0	0	0	110.8	Q87 C88 A89 L167 K170 L171	Q87-P119 WeakPolarHBondContact O-CD 3.15Å; C88-P119 VanDerWaalsContact CA-O 3.29Å; C88-P119 WeakPolarHBondContact CA-O 3.41Å; C88-P119 HydrophobicContact CB-CG 3.97Å; A89-P119 PolarHBondContact N-O 3.42Å; P119-L167 HydrophobicContact CB-CD2 3.85Å; P119-L167 HydrophobicContact CG-CD2 4.24Å; P119-L167 WeakPolarHBondContact O-CD2 3.4Å; P119-K170 HydrophobicContact CB-CB 3.85Å; P119-K170 HydrophobicContact CB-CG 4.28Å; P119-K170 HydrophobicContact CG-CB 4.21Å; P119-L171 HydrophobicContact CG-CD2 3.98Å; P119-L171 HydrophobicContact CG-CG 4.16Å
120	I	98.6	Very high	95.2	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137	-178.5	-60.3	166.8	0	0	0	109.1	A89 I91 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.21Å; A89-I120 WeakPolarHBondContact O-CA 3.35Å; I91-I120 HydrophobicContact CD1-CG2 3.89Å; I91-I120 HydrophobicContact CG1-CG2 3.89Å; L111-I120 HydrophobicContact CD2-CD1 3.73Å; L111-I120 HydrophobicContact CD2-CG1 4.07Å; I118-I120 HydrophobicContact CD1-CG1 4.43Å; I118-I120 HydrophobicContact CG1-CD1 4.34Å; I118-I120 HydrophobicContact CG1-CG1 4.05Å; I118-I120 WeakPolarHBondContact O-CG1 3.34Å; I118-I120 PolarHBondContact O-N 3.44Å; I120-L147 HydrophobicContact CB-CD2 4.08Å; I120-L147 HydrophobicContact CG2-CD1 4.32Å; I120-L147 HydrophobicContact CG2-CD2 4.35Å
121	V	98.7	Very high	95.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	170.2	-176.6	0	0	0	0	109.5	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 3.16Å; I90-V121 CarbonylContact C-O 3.57Å; I90-V121 WeakPolarHBondContact CA-O 3.47Å; I90-V121 HydrophobicContact CG1-CB 4.46Å; I91-V121 PolarHBondContact N-O 3.01Å; V121-Q148 CarbonylContact C-O 3.53Å; V121-Q148 WeakPolarHBondContact CA-O 3.35Å; V121-Q148 HydrophobicContact CG2-CB 4.38Å; V121-Y150 HydrophobicContact CG1-CD2 3.75Å; V121-Y150 HydrophobicContact CG1-CE2 4.32Å; V121-P163 HydrophobicContact CB-CB 4.45Å; V121-P163 HydrophobicContact CG1-CB 4.02Å; V121-P163 HydrophobicContact CG1-CG 4.43Å; V121-Y166 HydrophobicContact CG2-CD1 3.41Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.41Å; V121-Y166 HydrophobicContact CG2-CE1 4.01Å; V121-Y166 HydrophobicContact CG2-CG 4.25Å; V121-L167 HydrophobicContact CG2-CD1 4.29Å; V121-L167 HydrophobicContact CG2-CD2 3.76Å; V121-L167 HydrophobicContact CG2-CG 3.76Å
122	L	98.7	Very high	95.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.8	166.3	-177.7	65.4	0	0	0	109.1	I91 F93 Y101 V104 V139 H142 Q148 Y149 Y150	I91-L122 HydrophobicContact CB-CD1 4.15Å; I91-L122 HydrophobicContact CG2-CD1 4.15Å; I91-L122 CarbonylContact O-C 3.59Å; I91-L122 WeakPolarHBondContact O-CA 3.07Å; F93-L122 HydrophobicContact CD1-CD1 3.83Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.08Å; F93-L122 HydrophobicContact CE1-CD2 4.18Å; F93-L122 HydrophobicContact CE1-CG 3.96Å; Y101-L122 HydrophobicContact CE2-CD2 4.32Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.97Å; L122-V139 HydrophobicContact CD2-CG1 4.03Å; L122-H142 HydrophobicContact CD2-CB 4.03Å; L122-Q148 PolarHBondContact N-O 3.19Å; L122-Y149 HydrophobicContact CB-CD2 4.1Å; L122-Y149 HydrophobicContact CD2-CD2 3.95Å; L122-Y149 HydrophobicContact CD2-CE2 4.49Å; L122-Y149 HydrophobicContact CG-CD2 3.87Å; L122-Y149 HydrophobicContact CG-CE2 4.39Å; L122-Y149 WeakPolarHBondContact O-CA 3.4Å; L122-Y149 VanDerWaalsContact O-CD2 3.3Å; L122-Y149 WeakPolarHBondContact O-CD2 3.35Å; L122-Y150 PolarHBondContact O-N 2.8Å
123	C	98.7	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.6	179	-68.9	0	0	0	0	111.1	I90 I91 M92 F93 Y150 I152 P163	I90-C123 HydrophobicContact CG2-CB 4.21Å; I91-C123 PolarHBondContact O-N 3.38Å; M92-C123 WeakPolarHBondContact CA-O 2.95Å; F93-C123 VanDerWaalsContact CD1-O 3.28Å; F93-C123 WeakPolarHBondContact CD1-O 3.2Å; F93-C123 PolarHBondContact N-O 2.86Å; C123-Y150 WeakPolarHBondContact CA-O 3.46Å; C123-I152 HydrophobicContact CB-CD1 3.86Å; C123-I152 HydrophobicContact CB-CG1 4.24Å; C123-P163 VanDerWaalsContact SG-CG 3.54Å
124	G	98.4	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	102.5	167.7	0	0	0	0	0	109.4	Y150 I152	G124-Y150 PolarHBondContact N-O 3.39Å; G124-I152 PolarHBondContact O-N 2.98Å
125	N	98.3	Very high	95.4	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	165.8	-177.3	-169.3	28.9	0	0	0	112.2	T24 M92 F93 V95 I152 A154	T24-N125 PolarHBondContact O-ND2 2.93Å; M92-N125 HydrophobicContact CG-CB 4.03Å; M92-N125 HydrophobicContact SD-CB 3.92Å; F93-N125 PolarHBondContact O-N 3.03Å; V95-N125 WeakPolarHBondContact CG2-O 3.02Å; V95-N125 PolarHBondContact N-O 3.07Å; N125-I152 CarbonylContact C-O 3.48Å; N125-I152 VanDerWaalsContact CA-O 3.29Å; N125-I152 WeakPolarHBondContact CA-O 3.24Å; N125-I152 HydrophobicContact CB-CD1 4.28Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 2.75Å; N125-A154 PolarHBondContact OD1-N 2.65Å; N125-A154 VanDerWaalsContact OD1-N 3.17Å
126	K	96.8	Very high	95.3	Very high	59 Å²	59	51 Å²	51	26%	0.257	25%	0.249	S	C	.	.			trans	69.7	31.7	177.1	-47.7	-168	-165.9	165.3	0	114.8	G23 D94 T96 D128 V129 I152	G23-K126 WeakPolarHBondContact O-CE 3.38Å; G23-K126 PolarHBondContact O-NZ 3.31Å; D94-K126 WeakPolarHBondContact OD2-CD 3.26Å; D94-K126 WeakPolarHBondContact OD2-CE 3.41Å; D94-K126 IonicContact OD2-NZ 3.16Å; D94-K126 PolarHBondContact OD2-NZ 2.93Å; T96-K126 HydrophobicContact CG2-CB 4.44Å; K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 2.78Å; K126-D128 VanDerWaalsContact O-N 3.14Å; K126-V129 HydrophobicContact CB-CG2 4.2Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 PolarHBondContact O-N 3.45Å; K126-I152 PolarHBondContact N-O 2.95Å
127	V	96.8	Very high	95.2	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.3	175.9	-57.3	0	0	0	0	114	V95 V129 E151 I152 Y158 I192 Q197	V95-V127 HydrophobicContact CG1-CG1 3.88Å; V95-V127 HydrophobicContact CG2-CG1 4.04Å; V127-V129 PolarHBondContact O-N 3.34Å; V127-E151 HydrophobicContact CG1-CB 3.88Å; V127-E151 HydrophobicContact CG1-CG 4.09Å; V127-I152 WeakPolarHBondContact CG2-O 2.92Å; V127-I152 PolarHBondContact N-O 3.48Å; V127-Y158 HydrophobicContact CG2-CD1 3.68Å; V127-Y158 HydrophobicContact CG2-CE1 4.13Å; V127-I192 HydrophobicContact CG2-CD1 3.74Å; V127-Q197 PolarHBondContact O-NE2 3.18Å; V127-Q197 VanDerWaalsContact O-NE2 3.1Å
128	D	95	Very high	95.2	Very high	34 Å²	34	45 Å²	45	18%	0.182	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.2	168.1	59.6	-70.6	0	0	0	113.1	K126 S153 V190	K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 2.78Å; K126-D128 VanDerWaalsContact O-N 3.14Å; D128-S153 VanDerWaalsContact CG-OG 3.24Å; D128-S153 WeakPolarHBondContact OD1-CB 3.42Å; D128-S153 PolarHBondContact OD1-OG 2.93Å; D128-V190 HydrophobicContact CB-CG2 3.78Å
129	V	94.5	Very high	95.1	Very high	60 Å²	60	43.7 Å²	43.7	36%	0.364	21%	0.208	S	C	.	.			trans	-87	120.4	-179.1	-176.8	0	0	0	0	110.4	T96 K126 V127 N131	T96-V129 HydrophobicContact CG2-CB 3.61Å; T96-V129 HydrophobicContact CG2-CG1 3.7Å; T96-V129 HydrophobicContact CG2-CG2 4.22Å; K126-V129 HydrophobicContact CB-CG2 4.2Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 PolarHBondContact O-N 3.45Å; V127-V129 PolarHBondContact O-N 3.34Å; V129-N131 VanDerWaalsContact C-N 3.29Å; V129-N131 PolarHBondContact O-N 3.31Å
130	K	89.8	Confident	94.9	Very high	201 Å²	201	43 Å²	43	87%	0.874	20%	0.202	S	C	*	.	S	Bend	trans	-59.8	-34	-178.3	-65.9	-172.5	177.1	-174.1	0	114.1	R132	K130-R132 PolarHBondContact O-N 3.08Å
131	N	92	Very high	94.8	Very high	112 Å²	112	43.4 Å²	43.4	60%	0.599	20%	0.204	S	C	*	.	S	Bend	trans	-80.4	57.1	-177.6	-169	31.3	0	0	0	112.5	V129 Q133	V129-N131 VanDerWaalsContact C-N 3.29Å; V129-N131 PolarHBondContact O-N 3.31Å; N131-Q133 VanDerWaalsContact CG-NE2 3.33Å; N131-Q133 PolarHBondContact ND2-NE2 3.36Å; N131-Q133 PolarHBondContact O-N 3.38Å; N131-Q133 PolarHBondContact O-NE2 2.92Å; N131-Q133 PolarHBondContact OD1-NE2 3.03Å
132	R	94.3	Very high	94.6	Very high	37 Å²	37	45 Å²	45	14%	0.14	21%	0.211	C	C	.	.			trans	-64.6	129	178.5	-178	173	-175	142.5	10.5	110.7	V95 K130 V134 E151 H200	V95-R132 HydrophobicContact CB-CG 4.22Å; V95-R132 HydrophobicContact CG2-CG 4.23Å; K130-R132 PolarHBondContact O-N 3.08Å; R132-V134 PolarHBondContact NE-O 3.39Å; R132-V134 PolarHBondContact NH2-O 3.06Å; R132-V134 VanDerWaalsContact NH2-O 3.14Å; R132-E151 IonicContact CZ-OE1 2.68Å; R132-E151 IonicContact CZ-OE2 2.97Å; R132-E151 IonicContact NH1-OE1 3.68Å; R132-E151 PolarHBondContact NH1-OE1 3.17Å; R132-E151 IonicContact NH1-OE2 3.48Å; R132-E151 PolarHBondContact NH1-OE2 3.23Å; R132-E151 IonicContact NH2-OE1 3.36Å; R132-E151 PolarHBondContact NH2-OE1 3.08Å; R132-E151 IonicContact NH2-OE2 2.86Å; R132-H200 PolarHBondContact NH1-CE1 2.68Å; R132-H200 PolarHBondContact NH1-ND1 3.21Å
133	Q	96.4	Very high	94.4	Very high	56 Å²	56	48.4 Å²	48.4	26%	0.262	22%	0.224	S	C	.	.			trans	-105.8	-25.4	-179.2	-62.3	-57.1	-44.3	0	0	113.7	V95 T96 R98 N131	V95-Q133 PolarHBondContact O-N 3.28Å; T96-Q133 WeakPolarHBondContact O-CG 3.18Å; R98-Q133 HydrophobicContact CG-CB 3.82Å; R98-Q133 PolarHBondContact NE-O 3.48Å; N131-Q133 VanDerWaalsContact CG-NE2 3.33Å; N131-Q133 PolarHBondContact ND2-NE2 3.36Å; N131-Q133 PolarHBondContact O-N 3.38Å; N131-Q133 PolarHBondContact O-NE2 2.92Å; N131-Q133 PolarHBondContact OD1-NE2 3.03Å
134	V	95.3	Very high	94.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-108.1	99.3	177.1	-176.5	0	0	0	0	108.3	F93 V95 R98 Y101 R132 V139	F93-V134 HydrophobicContact CE2-CB 4.3Å; F93-V134 HydrophobicContact CE2-CG1 4Å; V95-V134 PolarHBondContact O-N 3.39Å; R98-V134 HydrophobicContact CB-CG2 4.47Å; R98-V134 HydrophobicContact CG-CG2 4.33Å; Y101-V134 HydrophobicContact CD1-CG1 4.03Å; Y101-V134 HydrophobicContact CG-CG1 3.98Å; R132-V134 PolarHBondContact NE-O 3.39Å; R132-V134 PolarHBondContact NH2-O 3.06Å; R132-V134 VanDerWaalsContact NH2-O 3.14Å; V134-V139 HydrophobicContact CG1-CG2 3.78Å
135	K	92.7	Very high	93.9	Very high	116 Å²	116	56.2 Å²	56.2	50%	0.504	26%	0.258	S	S	.	.			trans	-67	148.6	-177.1	-61.9	-178.9	179.8	178.3	0	110.9	K137 Q138	K135-K137 VanDerWaalsContact C-N 3.29Å; K135-K137 HydrophobicContact CB-CG 4.26Å; K135-K137 PolarHBondContact O-N 3.06Å; K135-Q138 HydrophobicContact CB-CG 4.17Å; K135-Q138 WeakPolarHBondContact O-CB 3.09Å; K135-Q138 PolarHBondContact O-N 3.34Å
136	A	90.4	Very high	93.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.008	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-44.9	-52	177.4	0	0	0	0	0	112.6	Q138 V139 H200 E203 L204	A136-Q138 PolarHBondContact O-N 3.38Å; A136-Q138 VanDerWaalsContact O-N 3.15Å; A136-V139 PolarHBondContact O-N 2.84Å; A136-V139 VanDerWaalsContact O-N 3.09Å; A136-H200 HydrophobicContact CB-CB 4.16Å; A136-E203 HydrophobicContact CB-CB 3.95Å; A136-L204 HydrophobicContact CB-CD1 4.49Å; A136-L204 HydrophobicContact CB-CD2 4.45Å; A136-L204 HydrophobicContact CB-CG 3.95Å; A136-L204 WeakPolarHBondContact O-CD2 3Å
137	K	88.6	Confident	93.7	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-61.5	-20.6	178.1	68	179.3	-174.9	173.8	0	116	K135 V139 A207	K135-K137 VanDerWaalsContact C-N 3.29Å; K135-K137 HydrophobicContact CB-CG 4.26Å; K135-K137 PolarHBondContact O-N 3.06Å; K137-V139 VanDerWaalsContact C-N 3.32Å; K137-A207 HydrophobicContact CB-CB 4.35Å
138	Q	90.8	Very high	93.7	Very high	61 Å²	61	63.8 Å²	63.8	29%	0.285	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-82.8	-12.5	178.9	-65.4	175.3	-54.6	0	0	112.1	K135 A136 T140 F220	K135-Q138 HydrophobicContact CB-CG 4.17Å; K135-Q138 WeakPolarHBondContact O-CB 3.09Å; K135-Q138 PolarHBondContact O-N 3.34Å; A136-Q138 PolarHBondContact O-N 3.38Å; A136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-T140 PolarHBondContact O-N 3.17Å; Q138-F220 HydrophobicContact CB-CE1 4.07Å; Q138-F220 HydrophobicContact CG-CE1 4.36Å
139	V	94.5	Very high	93.8	Very high	3 Å²	3	63 Å²	63	2%	0.018	29%	0.294	C	S	.	.			trans	-84.8	79.5	-176.6	-172.5	0	0	0	0	109.9	F93 Y101 L122 V134 A136 K137 H142 Y149	F93-V139 HydrophobicContact CE1-CG1 4.29Å; F93-V139 HydrophobicContact CE2-CG2 4.49Å; F93-V139 HydrophobicContact CZ-CG1 4.07Å; F93-V139 HydrophobicContact CZ-CG2 3.91Å; Y101-V139 HydrophobicContact CE2-CB 4.42Å; Y101-V139 HydrophobicContact CE2-CG1 3.73Å; Y101-V139 HydrophobicContact CE2-CG2 4.49Å; Y101-V139 VanDerWaalsContact OH-CA 3.31Å; Y101-V139 WeakPolarHBondContact OH-CA 3.38Å; L122-V139 HydrophobicContact CD2-CG1 4.03Å; V134-V139 HydrophobicContact CG1-CG2 3.78Å; A136-V139 PolarHBondContact O-N 2.84Å; A136-V139 VanDerWaalsContact O-N 3.09Å; K137-V139 VanDerWaalsContact C-N 3.32Å; V139-H142 PolarHBondContact O-CE1 3.31Å; V139-H142 PolarHBondContact O-ND1 3.27Å; V139-Y149 HydrophobicContact CB-CE1 4.19Å; V139-Y149 HydrophobicContact CG1-CD1 4.23Å; V139-Y149 HydrophobicContact CG1-CD2 4.08Å; V139-Y149 HydrophobicContact CG1-CE1 3.92Å; V139-Y149 HydrophobicContact CG1-CE2 3.8Å; V139-Y149 HydrophobicContact CG1-CG 4.3Å
140	T	94.7	Very high	94	Very high	14 Å²	14	62.3 Å²	62.3	9%	0.086	29%	0.285	C	S	.	.			trans	-101.4	-18.9	-175.1	60.8	0	0	0	0	114	Y101 Q138 H142 R143 K144 P213	Y101-T140 PolarHBondContact OH-N 3.42Å; Q138-T140 PolarHBondContact O-N 3.17Å; T140-H142 PolarHBondContact O-N 3.12Å; T140-H142 VanDerWaalsContact O-N 3.1Å; T140-R143 WeakPolarHBondContact O-CB 3.2Å; T140-R143 PolarHBondContact O-N 3.13Å; T140-K144 PolarHBondContact O-N 3.48Å; T140-P213 HydrophobicContact CG2-CG 4.23Å
141	F	95.8	Very high	94.3	Very high	19 Å²	19	53 Å²	53	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-53.2	-36.9	-175.2	-172.8	-99.1	0	0	0	114.3	Y101 V104 P105 H108 R143 K144 K145 L147	Y101-F141 HydrophobicContact CE2-CB 4.41Å; Y101-F141 VanDerWaalsContact OH-CB 3.28Å; Y101-F141 WeakPolarHBondContact OH-CB 3.47Å; Y101-F141 PolarHBondContact OH-N 2.97Å; V104-F141 HydrophobicContact CG1-CD1 3.43Å; V104-F141 VanDerWaalsContact CG1-CD1 3.43Å; V104-F141 HydrophobicContact CG1-CE1 3.69Å; V104-F141 HydrophobicContact CG1-CG 4.04Å; V104-F141 HydrophobicContact CG1-CZ 4.48Å; P105-F141 HydrophobicContact CB-CD2 4.37Å; P105-F141 HydrophobicContact CB-CE2 3.71Å; P105-F141 HydrophobicContact CB-CZ 4.22Å; P105-F141 HydrophobicContact CG-CD2 3.81Å; P105-F141 HydrophobicContact CG-CE2 3.67Å; P105-F141 HydrophobicContact CG-CZ 4.42Å; H108-F141 HydrophobicContact CB-CE1 3.7Å; H108-F141 HydrophobicContact CB-CZ 3.63Å; H108-F141 AromaticContact CD2-CE1 3.85Å; H108-F141 AromaticContact CG-CE1 3.75Å; H108-F141 AromaticContact CG-CZ 3.65Å; F141-R143 VanDerWaalsContact C-N 3.28Å; F141-R143 PolarHBondContact O-N 3.21Å; F141-K144 PolarHBondContact O-N 2.65Å; F141-K145 HydrophobicContact CD1-CG 4.46Å; F141-K145 HydrophobicContact CE1-CB 4.36Å; F141-K145 HydrophobicContact CE1-CG 3.83Å; F141-K145 HydrophobicContact CE2-CG 3.95Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.03Å; F141-L147 HydrophobicContact CD1-CD1 4.08Å; F141-L147 HydrophobicContact CE1-CD1 3.92Å
142	H	95.1	Very high	94.6	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.148	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-35.6	178.2	72.2	-85	0	0	0	112.3	L122 V139 T140 N146 L147	L122-H142 HydrophobicContact CD2-CB 4.03Å; V139-H142 PolarHBondContact O-CE1 3.31Å; V139-H142 PolarHBondContact O-ND1 3.27Å; T140-H142 PolarHBondContact O-N 3.12Å; T140-H142 VanDerWaalsContact O-N 3.1Å; H142-N146 CarbonylContact O-C 3.56Å; H142-N146 WeakPolarHBondContact O-CA 3.5Å; H142-N146 PolarHBondContact O-N 3.13Å; H142-L147 HydrophobicContact CB-CB 4.16Å; H142-L147 PolarHBondContact O-N 3.08Å
143	R	93.5	Very high	94.7	Very high	73 Å²	73	45.9 Å²	45.9	28%	0.275	21%	0.209	S	C	.	.	H	α-helix	trans	-70.1	-43.7	174.3	-60	174.1	65.3	-148.6	-2.1	111	T140 F141 K145 N146 A207 A208 Q210 L212	T140-R143 WeakPolarHBondContact O-CB 3.2Å; T140-R143 PolarHBondContact O-N 3.13Å; F141-R143 VanDerWaalsContact C-N 3.28Å; F141-R143 PolarHBondContact O-N 3.21Å; R143-K145 PolarHBondContact O-N 2.8Å; R143-N146 PolarHBondContact O-N 3.49Å; R143-A207 PolarHBondContact NH1-O 2.84Å; R143-A208 PolarHBondContact NH2-O 2.99Å; R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.92Å; R143-Q210 PolarHBondContact NH2-O 2.91Å; R143-L212 HydrophobicContact CB-CD1 4.41Å; R143-L212 HydrophobicContact CB-CD2 3.72Å; R143-L212 HydrophobicContact CG-CD2 4.48Å
144	K	92.2	Very high	94.6	Very high	54 Å²	54	43.4 Å²	43.4	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-32.5	177.3	-66.5	-174.5	179	-171.5	0	112.4	T140 F141 L212 D215 D218	T140-K144 PolarHBondContact O-N 3.48Å; F141-K144 PolarHBondContact O-N 2.65Å; K144-L212 HydrophobicContact CG-CD1 4.01Å; K144-L212 HydrophobicContact CG-CD2 4.26Å; K144-D215 IonicContact NZ-OD1 3.45Å; K144-D215 PolarHBondContact NZ-OD1 3.16Å; K144-D218 IonicContact NZ-OD2 2.65Å; K144-D218 PolarHBondContact NZ-OD2 3.48Å
145	K	94.6	Very high	94.6	Very high	110 Å²	110	46.3 Å²	46.3	48%	0.478	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	8.6	-176.8	-62.9	-58.2	-177	-170.4	0	115	F141 R143 L147	F141-K145 HydrophobicContact CD1-CG 4.46Å; F141-K145 HydrophobicContact CE1-CB 4.36Å; F141-K145 HydrophobicContact CE1-CG 3.83Å; F141-K145 HydrophobicContact CE2-CG 3.95Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.03Å; R143-K145 PolarHBondContact O-N 2.8Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 HydrophobicContact CB-CD1 4.02Å; K145-L147 HydrophobicContact CB-CD2 3.88Å; K145-L147 HydrophobicContact CB-CG 3.72Å; K145-L147 VanDerWaalsContact O-CD2 3.28Å; K145-L147 WeakPolarHBondContact O-CD2 3.48Å; K145-L147 PolarHBondContact O-N 3.29Å
146	N	93.2	Very high	94.6	Very high	151 Å²	151	41.3 Å²	41.3	81%	0.807	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	44.2	-177.4	-166.5	34.1	0	0	0	113.7	H142 R143	H142-N146 CarbonylContact O-C 3.56Å; H142-N146 WeakPolarHBondContact O-CA 3.5Å; H142-N146 PolarHBondContact O-N 3.13Å; R143-N146 PolarHBondContact O-N 3.49Å
147	L	96.8	Very high	94.7	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.099	20%	0.199	C	C	.	.			trans	-96.7	151.2	177.1	-40.5	178.6	0	0	0	109.6	I120 F141 H142 K145	I120-L147 HydrophobicContact CB-CD2 4.08Å; I120-L147 HydrophobicContact CG2-CD1 4.32Å; I120-L147 HydrophobicContact CG2-CD2 4.35Å; F141-L147 HydrophobicContact CD1-CD1 4.08Å; F141-L147 HydrophobicContact CE1-CD1 3.92Å; H142-L147 HydrophobicContact CB-CB 4.16Å; H142-L147 PolarHBondContact O-N 3.08Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 HydrophobicContact CB-CD1 4.02Å; K145-L147 HydrophobicContact CB-CD2 3.88Å; K145-L147 HydrophobicContact CB-CG 3.72Å; K145-L147 VanDerWaalsContact O-CD2 3.28Å; K145-L147 WeakPolarHBondContact O-CD2 3.48Å; K145-L147 PolarHBondContact O-N 3.29Å
148	Q	97.3	Very high	95	Very high	61 Å²	61	38.1 Å²	38.1	29%	0.285	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.2	166.6	-176.3	60.8	39.7	0	0	109.6	V121 L122 Y150 Y166	V121-Q148 CarbonylContact C-O 3.53Å; V121-Q148 WeakPolarHBondContact CA-O 3.35Å; V121-Q148 HydrophobicContact CG2-CB 4.38Å; L122-Q148 PolarHBondContact N-O 3.19Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Q148-Y166 HydrophobicContact CB-CD1 3.86Å; Q148-Y166 HydrophobicContact CB-CD2 3.94Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.66Å; Q148-Y166 HydrophobicContact CB-CG 4.03Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.46Å; Q148-Y166 HydrophobicContact CG-CD1 4.21Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.34Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.89Å
149	Y	97.8	Very high	95.2	Very high	17 Å²	17	36.5 Å²	36.5	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.7	174.1	176.3	-122.9	0	0	0	111.1	F93 L122 V139 E151 L204	F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.88Å; F93-Y149 HydrophobicContact CZ-CE2 3.88Å; L122-Y149 HydrophobicContact CB-CD2 4.1Å; L122-Y149 HydrophobicContact CD2-CD2 3.95Å; L122-Y149 HydrophobicContact CD2-CE2 4.49Å; L122-Y149 HydrophobicContact CG-CD2 3.87Å; L122-Y149 HydrophobicContact CG-CE2 4.39Å; L122-Y149 WeakPolarHBondContact O-CA 3.4Å; L122-Y149 VanDerWaalsContact O-CD2 3.3Å; L122-Y149 WeakPolarHBondContact O-CD2 3.35Å; V139-Y149 HydrophobicContact CB-CE1 4.19Å; V139-Y149 HydrophobicContact CG1-CD1 4.23Å; V139-Y149 HydrophobicContact CG1-CD2 4.08Å; V139-Y149 HydrophobicContact CG1-CE1 3.92Å; V139-Y149 HydrophobicContact CG1-CE2 3.8Å; V139-Y149 HydrophobicContact CG1-CG 4.3Å; Y149-E151 HydrophobicContact CE1-CG 3.99Å; Y149-E151 VanDerWaalsContact OH-CG 3.24Å; Y149-E151 WeakPolarHBondContact OH-CG 3.33Å; Y149-E151 PolarHBondContact OH-OE1 3.22Å; Y149-L204 HydrophobicContact CD1-CD1 4.09Å; Y149-L204 HydrophobicContact CD1-CD2 3.76Å; Y149-L204 HydrophobicContact CE1-CD1 3.65Å; Y149-L204 HydrophobicContact CE1-CD2 3.55Å; Y149-L204 HydrophobicContact CE1-CG 4.24Å
150	Y	97.8	Very high	95.1	Very high	45 Å²	45	36.6 Å²	36.6	18%	0.176	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.1	167.3	-66.2	-62.1	0	0	0	111.3	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.75Å; V121-Y150 HydrophobicContact CG1-CE2 4.32Å; L122-Y150 PolarHBondContact O-N 2.8Å; C123-Y150 WeakPolarHBondContact CA-O 3.46Å; G124-Y150 PolarHBondContact N-O 3.39Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Y150-K162 HydrophobicContact CD1-CB 4.02Å; Y150-K162 HydrophobicContact CD1-CD 3.78Å; Y150-K162 HydrophobicContact CD2-CB 3.94Å; Y150-K162 HydrophobicContact CE1-CB 3.99Å; Y150-K162 HydrophobicContact CE1-CD 3.74Å; Y150-K162 HydrophobicContact CE1-CG 4.42Å; Y150-K162 HydrophobicContact CE2-CB 3.89Å; Y150-K162 WeakPolarHBondContact CE2-O 3.37Å; Y150-K162 HydrophobicContact CG-CB 4Å; Y150-P163 HydrophobicContact CD2-CG 4.19Å
151	E	97.4	Very high	95.1	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.4	160.4	-76	-167.9	-174.2	0	0	109.3	V127 R132 Y149 Y158 N159 Q197 H200 L204	V127-E151 HydrophobicContact CG1-CB 3.88Å; V127-E151 HydrophobicContact CG1-CG 4.09Å; R132-E151 IonicContact CZ-OE1 2.68Å; R132-E151 IonicContact CZ-OE2 2.97Å; R132-E151 IonicContact NH1-OE1 3.68Å; R132-E151 PolarHBondContact NH1-OE1 3.17Å; R132-E151 IonicContact NH1-OE2 3.48Å; R132-E151 PolarHBondContact NH1-OE2 3.23Å; R132-E151 IonicContact NH2-OE1 3.36Å; R132-E151 PolarHBondContact NH2-OE1 3.08Å; R132-E151 IonicContact NH2-OE2 2.86Å; Y149-E151 HydrophobicContact CE1-CG 3.99Å; Y149-E151 VanDerWaalsContact OH-CG 3.24Å; Y149-E151 WeakPolarHBondContact OH-CG 3.33Å; Y149-E151 PolarHBondContact OH-OE1 3.22Å; E151-Y158 HydrophobicContact CB-CE1 4.35Å; E151-N159 WeakPolarHBondContact O-CB 3.29Å; E151-N159 PolarHBondContact O-ND2 3.07Å; E151-Q197 PolarHBondContact OE2-OE1 3.02Å; E151-H200 IonicContact OE2-CG 3.59Å; E151-H200 IonicContact OE2-ND1 3.28Å; E151-L204 HydrophobicContact CG-CD1 4.39Å
152	I	97.6	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.19	C	C	.	.			trans	-136.3	157.6	-176.6	68.2	168.5	0	0	0	111.2	F29 M92 C123 G124 N125 K126 V127 Y158 N159 P163	F29-I152 HydrophobicContact CD2-CD1 3.73Å; F29-I152 HydrophobicContact CE2-CD1 3.63Å; F29-I152 HydrophobicContact CG-CD1 4.42Å; F29-I152 HydrophobicContact CZ-CD1 4.25Å; M92-I152 HydrophobicContact CE-CD1 3.84Å; C123-I152 HydrophobicContact CB-CD1 3.86Å; C123-I152 HydrophobicContact CB-CG1 4.24Å; G124-I152 PolarHBondContact O-N 2.98Å; N125-I152 CarbonylContact C-O 3.48Å; N125-I152 VanDerWaalsContact CA-O 3.29Å; N125-I152 WeakPolarHBondContact CA-O 3.24Å; N125-I152 HydrophobicContact CB-CD1 4.28Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 2.75Å; K126-I152 PolarHBondContact N-O 2.95Å; V127-I152 WeakPolarHBondContact CG2-O 2.92Å; V127-I152 PolarHBondContact N-O 3.48Å; I152-Y158 WeakPolarHBondContact CA-O 3.42Å; I152-N159 HydrophobicContact CG2-CB 4.07Å; I152-P163 HydrophobicContact CG2-CG 4.2Å
153	S	97.1	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-134.4	115.3	162.2	173	0	0	0	0	110	D128 K155 S156 N157 Y158	D128-S153 VanDerWaalsContact CG-OG 3.24Å; D128-S153 WeakPolarHBondContact OD1-CB 3.42Å; D128-S153 PolarHBondContact OD1-OG 2.93Å; S153-K155 PolarHBondContact O-N 2.84Å; S153-K155 PolarHBondContact OG-N 3.19Å; S153-S156 VanDerWaalsContact CB-OG 3.32Å; S153-S156 WeakPolarHBondContact CB-OG 3.26Å; S153-S156 PolarHBondContact OG-N 2.7Å; S153-S156 VanDerWaalsContact OG-N 3.07Å; S153-S156 PolarHBondContact OG-OG 3.14Å; S153-N157 WeakPolarHBondContact O-CA 3.28Å; S153-N157 PolarHBondContact O-N 2.69Å; S153-Y158 PolarHBondContact N-O 3.1Å; S153-Y158 PolarHBondContact O-N 3.29Å
154	A	94.5	Very high	95.5	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.6	170.9	0	0	0	0	0	112.4	T28 F29 R32 N125	T28-A154 HydrophobicContact CG2-CB 4.19Å; F29-A154 HydrophobicContact CB-CB 4.26Å; F29-A154 HydrophobicContact CD2-CB 4.45Å; R32-A154 PolarHBondContact NE-O 2.94Å; N125-A154 PolarHBondContact OD1-N 2.65Å; N125-A154 VanDerWaalsContact OD1-N 3.17Å
155	K	93.7	Very high	95.8	Very high	62 Å²	62	35 Å²	35	27%	0.27	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-37.8	-178	-161.8	-179.8	-178.4	-173.3	0	112.9	F38 S153 E189 V190	F38-K155 HydrophobicContact CD1-CG 4.31Å; F38-K155 HydrophobicContact CD2-CB 4.12Å; F38-K155 HydrophobicContact CD2-CG 4.1Å; F38-K155 HydrophobicContact CE1-CD 4.2Å; F38-K155 HydrophobicContact CE1-CG 3.92Å; F38-K155 HydrophobicContact CE2-CB 3.54Å; F38-K155 HydrophobicContact CE2-CD 4.48Å; F38-K155 HydrophobicContact CE2-CG 3.67Å; F38-K155 HydrophobicContact CG-CG 4.4Å; F38-K155 HydrophobicContact CZ-CB 3.87Å; F38-K155 HydrophobicContact CZ-CD 3.95Å; F38-K155 HydrophobicContact CZ-CG 3.59Å; S153-K155 PolarHBondContact O-N 2.84Å; S153-K155 PolarHBondContact OG-N 3.19Å; K155-E189 HydrophobicContact CG-CB 4.27Å; K155-E189 PolarHBondContact O-N 2.85Å; K155-V190 HydrophobicContact CB-CG2 4.06Å; K155-V190 HydrophobicContact CD-CG1 4.01Å; K155-V190 HydrophobicContact CD-CG2 3.71Å; K155-V190 HydrophobicContact CG-CG2 3.74Å
156	S	93.4	Very high	96	Very high	11 Å²	11	31.8 Å²	31.8	8%	0.077	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	0.3	-177.9	84.2	0	0	0	0	114	S153 Y158 V190	S153-S156 VanDerWaalsContact CB-OG 3.32Å; S153-S156 WeakPolarHBondContact CB-OG 3.26Å; S153-S156 PolarHBondContact OG-N 2.7Å; S153-S156 VanDerWaalsContact OG-N 3.07Å; S153-S156 PolarHBondContact OG-OG 3.14Å; S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact OG-CB 3.26Å; S156-Y158 WeakPolarHBondContact OG-CB 3.39Å; S156-Y158 PolarHBondContact OG-N 2.79Å; S156-V190 VanDerWaalsContact CB-O 3.27Å; S156-V190 WeakPolarHBondContact CB-O 3.36Å
157	N	92.5	Very high	96.2	Very high	35 Å²	35	24.6 Å²	24.6	19%	0.187	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	17.1	-171	-52.4	-22.8	0	0	0	114.1	R32 S153 N159 F160 L185 A186	R32-N157 VanDerWaalsContact CZ-OD1 3.31Å; R32-N157 PolarHBondContact NE-OD1 3.19Å; R32-N157 PolarHBondContact NH2-ND2 3.36Å; R32-N157 PolarHBondContact NH2-OD1 2.82Å; S153-N157 WeakPolarHBondContact O-CA 3.28Å; S153-N157 PolarHBondContact O-N 2.69Å; N157-N159 PolarHBondContact O-N 3.5Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 3.18Å; N157-L185 HydrophobicContact CB-CD1 3.99Å; N157-A186 PolarHBondContact ND2-O 3.39Å
158	Y	95	Very high	96.3	Very high	25 Å²	25	23.7 Å²	23.7	10%	0.098	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-70.4	127.7	-178.7	177.1	-104.8	0	0	0	110.9	V127 E151 I152 S153 S156 F160 I192 Q197 E201	V127-Y158 HydrophobicContact CG2-CD1 3.68Å; V127-Y158 HydrophobicContact CG2-CE1 4.13Å; E151-Y158 HydrophobicContact CB-CE1 4.35Å; I152-Y158 WeakPolarHBondContact CA-O 3.42Å; S153-Y158 PolarHBondContact N-O 3.1Å; S153-Y158 PolarHBondContact O-N 3.29Å; S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact OG-CB 3.26Å; S156-Y158 WeakPolarHBondContact OG-CB 3.39Å; S156-Y158 PolarHBondContact OG-N 2.79Å; Y158-F160 PolarHBondContact O-N 3.36Å; Y158-I192 HydrophobicContact CD1-CD1 3.95Å; Y158-I192 HydrophobicContact CD2-CD1 4.25Å; Y158-I192 HydrophobicContact CD2-CG1 4.01Å; Y158-I192 HydrophobicContact CD2-CG2 4.28Å; Y158-I192 HydrophobicContact CG-CD1 3.68Å; Y158-I192 HydrophobicContact CG-CG1 3.97Å; Y158-Q197 HydrophobicContact CE1-CB 4.4Å; Y158-Q197 HydrophobicContact CE1-CG 4.02Å; Y158-Q197 HydrophobicContact CE2-CB 4.18Å; Y158-Q197 HydrophobicContact CE2-CG 4.07Å; Y158-E201 PolarHBondContact OH-OE1 3.38Å
159	N	94.7	Very high	96.3	Very high	26 Å²	26	25 Å²	25	14%	0.139	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	24.9	-177.9	-71.9	-20.7	0	0	0	114.6	E151 I152 N157 E161 K162 P163	E151-N159 WeakPolarHBondContact O-CB 3.29Å; E151-N159 PolarHBondContact O-ND2 3.07Å; I152-N159 HydrophobicContact CG2-CB 4.07Å; N157-N159 PolarHBondContact O-N 3.5Å; N159-E161 VanDerWaalsContact C-N 3.34Å; N159-E161 PolarHBondContact O-N 3.49Å; N159-K162 HydrophobicContact CB-CB 4.5Å; N159-K162 HydrophobicContact CB-CD 3.9Å; N159-K162 HydrophobicContact CB-CG 4.23Å; N159-K162 PolarHBondContact O-N 3.17Å; N159-K162 VanDerWaalsContact O-N 3.16Å; N159-K162 WeakPolarHBondContact OD1-CD 3.41Å; N159-K162 WeakPolarHBondContact OD1-CE 3.31Å; N159-K162 PolarHBondContact OD1-NZ 3.4Å; N159-P163 WeakPolarHBondContact O-CD 3.29Å
160	F	91.8	Very high	96.4	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.4	-166.8	-167.9	-114.4	0	0	0	113.7	F29 R32 H33 N157 Y158 L185	F29-F160 AromaticContact CD2-CD2 3.74Å; F29-F160 HydrophobicContact CD2-CD2 3.74Å; F29-F160 AromaticContact CD2-CE2 3.48Å; F29-F160 HydrophobicContact CD2-CE2 3.48Å; F29-F160 VanDerWaalsContact CD2-CE2 3.48Å; F29-F160 HydrophobicContact CD2-CZ 4.43Å; F29-F160 AromaticContact CE2-CD2 3.62Å; F29-F160 HydrophobicContact CE2-CD2 3.62Å; F29-F160 AromaticContact CE2-CE2 3.75Å; F29-F160 HydrophobicContact CE2-CE2 3.75Å; F29-F160 HydrophobicContact CE2-CG 4.36Å; F29-F160 HydrophobicContact CG-CE2 4.36Å; F29-F160 WeakPolarHBondContact O-CZ 3.47Å; R32-F160 HydrophobicContact CB-CE1 4.5Å; R32-F160 HydrophobicContact CB-CE2 3.93Å; R32-F160 HydrophobicContact CB-CZ 3.47Å; R32-F160 VanDerWaalsContact CB-CZ 3.47Å; R32-F160 HydrophobicContact CG-CE1 4.07Å; R32-F160 HydrophobicContact CG-CE2 3.68Å; R32-F160 HydrophobicContact CG-CZ 3.29Å; H33-F160 HydrophobicContact CB-CE1 4.2Å; H33-F160 HydrophobicContact CB-CZ 4.31Å; H33-F160 AromaticContact CD2-CD1 3.83Å; H33-F160 AromaticContact CD2-CE1 3.38Å; H33-F160 WeakPolarHBondContact CD2-CE1 3.43Å; H33-F160 AromaticContact CE1-CD1 3.2Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.43Å; H33-F160 AromaticContact CE1-CD2 3.71Å; H33-F160 AromaticContact CE1-CE1 2.95Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.22Å; H33-F160 AromaticContact CE1-CE2 3.47Å; H33-F160 VanDerWaalsContact CE1-CE2 3.47Å; H33-F160 WeakPolarHBondContact CE1-CE2 3.35Å; H33-F160 AromaticContact CE1-CG 3.58Å; H33-F160 AromaticContact CE1-CZ 3.07Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.29Å; H33-F160 PolarHBondContact CE1-O 2.6Å; H33-F160 AromaticContact CG-CE1 3.32Å; H33-F160 AromaticContact CG-CZ 3.55Å; H33-F160 AromaticContact ND1-CD1 3.86Å; H33-F160 AromaticContact ND1-CE1 3.09Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.37Å; H33-F160 AromaticContact ND1-CE2 3.61Å; H33-F160 AromaticContact ND1-CZ 2.92Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.3Å; H33-F160 AromaticContact NE2-CD1 3.2Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.44Å; H33-F160 AromaticContact NE2-CE1 3.18Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.32Å; H33-F160 AromaticContact NE2-CG 3.89Å; H33-F160 AromaticContact NE2-CZ 3.81Å; H33-F160 PolarHBondContact NE2-O 3.48Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 3.18Å; Y158-F160 PolarHBondContact O-N 3.36Å; F160-L185 HydrophobicContact CD1-CD1 3.72Å; F160-L185 HydrophobicContact CD1-CD2 4.05Å; F160-L185 HydrophobicContact CE1-CD1 4.07Å; F160-L185 HydrophobicContact CE1-CD2 3.52Å; F160-L185 HydrophobicContact CE1-CG 4.46Å; F160-L185 HydrophobicContact CZ-CD2 4.36Å
161	E	94.8	Very high	96.3	Very high	49 Å²	49	30 Å²	30	23%	0.229	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.7	-178.2	-61.7	-178.9	91.5	0	0	113.9	N159 F164 L165 F179 P183	N159-E161 VanDerWaalsContact C-N 3.34Å; N159-E161 PolarHBondContact O-N 3.49Å; E161-F164 PolarHBondContact O-N 2.85Å; E161-F164 VanDerWaalsContact O-N 3.14Å; E161-L165 PolarHBondContact O-N 2.95Å; E161-F179 HydrophobicContact CB-CD2 4.15Å; E161-F179 HydrophobicContact CB-CE2 4.11Å; E161-F179 WeakPolarHBondContact OE1-CD2 3.13Å; E161-P183 HydrophobicContact CG-CG 4.06Å; E161-P183 WeakPolarHBondContact OE1-CD 3.43Å
162	K	97	Very high	96.3	Very high	78 Å²	78	32.5 Å²	32.5	34%	0.339	16%	0.157	S	C	.	.	H	α-helix	trans	-57	-41.7	-173	-71.9	-169.2	177.2	165.9	0	113.4	Y150 N159 L165 Y166	Y150-K162 HydrophobicContact CD1-CB 4.02Å; Y150-K162 HydrophobicContact CD1-CD 3.78Å; Y150-K162 HydrophobicContact CD2-CB 3.94Å; Y150-K162 HydrophobicContact CE1-CB 3.99Å; Y150-K162 HydrophobicContact CE1-CD 3.74Å; Y150-K162 HydrophobicContact CE1-CG 4.42Å; Y150-K162 HydrophobicContact CE2-CB 3.89Å; Y150-K162 WeakPolarHBondContact CE2-O 3.37Å; Y150-K162 HydrophobicContact CG-CB 4Å; N159-K162 HydrophobicContact CB-CB 4.5Å; N159-K162 HydrophobicContact CB-CD 3.9Å; N159-K162 HydrophobicContact CB-CG 4.23Å; N159-K162 PolarHBondContact O-N 3.17Å; N159-K162 VanDerWaalsContact O-N 3.16Å; N159-K162 WeakPolarHBondContact OD1-CD 3.41Å; N159-K162 WeakPolarHBondContact OD1-CE 3.31Å; N159-K162 PolarHBondContact OD1-NZ 3.4Å; K162-L165 PolarHBondContact O-N 3.32Å; K162-Y166 WeakPolarHBondContact O-CB 3.39Å; K162-Y166 PolarHBondContact O-N 3.4Å
163	P	98.4	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-48	175.7	-25.6	36.1	0	0	0	112.6	F29 I90 V121 C123 Y150 I152 N159 Y166 L167	F29-P163 HydrophobicContact CZ-CG 4.21Å; I90-P163 HydrophobicContact CD1-CB 3.84Å; I90-P163 HydrophobicContact CG1-CB 4.46Å; V121-P163 HydrophobicContact CB-CB 4.45Å; V121-P163 HydrophobicContact CG1-CB 4.02Å; V121-P163 HydrophobicContact CG1-CG 4.43Å; C123-P163 VanDerWaalsContact SG-CG 3.54Å; Y150-P163 HydrophobicContact CD2-CG 4.19Å; I152-P163 HydrophobicContact CG2-CG 4.2Å; N159-P163 WeakPolarHBondContact O-CD 3.29Å; P163-Y166 PolarHBondContact O-N 3.34Å; P163-L167 VanDerWaalsContact O-CG 3.31Å; P163-L167 WeakPolarHBondContact O-CG 3.45Å; P163-L167 PolarHBondContact O-N 3.16Å
164	F	98.1	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-41.7	-179.5	-68.2	-79.6	0	0	0	112	L16 F29 H33 L53 F55 F64 I90 E161 L167 A168 F179	L16-F164 HydrophobicContact CD1-CD1 4.06Å; L16-F164 HydrophobicContact CD1-CE1 3.76Å; F29-F164 HydrophobicContact CD1-CE2 4.41Å; F29-F164 HydrophobicContact CE1-CD2 4.38Å; F29-F164 AromaticContact CE1-CE2 3.37Å; F29-F164 HydrophobicContact CE1-CE2 3.37Å; F29-F164 AromaticContact CE1-CZ 3.81Å; F29-F164 HydrophobicContact CE1-CZ 3.81Å; F29-F164 HydrophobicContact CZ-CD2 4.17Å; F29-F164 AromaticContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CE2 3.5Å; F29-F164 VanDerWaalsContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CZ 4.38Å; H33-F164 AromaticContact CD2-CE2 3.85Å; H33-F164 AromaticContact CE1-CD2 3.73Å; H33-F164 AromaticContact CE1-CE2 3.24Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.19Å; H33-F164 AromaticContact CG-CE2 3.97Å; H33-F164 AromaticContact ND1-CE2 3.56Å; H33-F164 AromaticContact NE2-CD2 3.45Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.46Å; H33-F164 AromaticContact NE2-CE2 3.4Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.03Å; L53-F164 HydrophobicContact CD1-CE1 3.9Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å; F55-F164 HydrophobicContact CE1-CB 3.89Å; F55-F164 HydrophobicContact CE1-CD2 4.26Å; F55-F164 HydrophobicContact CE1-CG 4Å; F55-F164 HydrophobicContact CE2-CB 4.15Å; F55-F164 AromaticContact CE2-CD1 3.62Å; F55-F164 HydrophobicContact CE2-CD1 3.62Å; F55-F164 HydrophobicContact CE2-CE1 4.11Å; F55-F164 AromaticContact CE2-CG 3.87Å; F55-F164 HydrophobicContact CE2-CG 3.87Å; F55-F164 HydrophobicContact CZ-CB 3.67Å; F55-F164 AromaticContact CZ-CD1 3.56Å; F55-F164 HydrophobicContact CZ-CD1 3.56Å; F55-F164 AromaticContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CE1 4.07Å; F55-F164 HydrophobicContact CZ-CE2 4.2Å; F55-F164 AromaticContact CZ-CG 3.34Å; F55-F164 HydrophobicContact CZ-CG 3.34Å; F55-F164 HydrophobicContact CZ-CZ 4.36Å; F64-F164 AromaticContact CD2-CD1 3.72Å; F64-F164 HydrophobicContact CD2-CD1 3.72Å; F64-F164 HydrophobicContact CD2-CE1 4.37Å; F64-F164 HydrophobicContact CE2-CB 4.38Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.24Å; I90-F164 HydrophobicContact CD1-CZ 4.37Å; E161-F164 PolarHBondContact O-N 2.85Å; E161-F164 VanDerWaalsContact O-N 3.14Å; F164-L167 PolarHBondContact O-N 3.42Å; F164-A168 VanDerWaalsContact O-CB 3.29Å; F164-A168 WeakPolarHBondContact O-CB 3.14Å; F164-A168 PolarHBondContact O-N 3.44Å; F164-F179 HydrophobicContact CB-CE2 4.17Å; F164-F179 HydrophobicContact CB-CZ 4Å
165	L	98	Very high	96.3	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-43.2	178.2	179.8	57.1	0	0	0	111.9	E161 K162 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 2.95Å; K162-L165 PolarHBondContact O-N 3.32Å; L165-A168 PolarHBondContact O-N 2.97Å; L165-R169 HydrophobicContact CD1-CG 4.37Å; L165-R169 VanDerWaalsContact O-CG 3.29Å; L165-R169 WeakPolarHBondContact O-CG 3.14Å; L165-R169 PolarHBondContact O-N 3.48Å; L165-L177 HydrophobicContact CD1-CD2 3.82Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.77Å; L165-F179 HydrophobicContact CB-CZ 3.96Å; L165-F179 HydrophobicContact CD1-CD1 4.25Å; L165-F179 HydrophobicContact CD1-CE1 4.16Å; L165-F179 HydrophobicContact CD1-CE2 4.47Å; L165-F179 HydrophobicContact CD1-CG 4.43Å; L165-F179 HydrophobicContact CD1-CZ 4.29Å
166	Y	98.5	Very high	96.5	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.1	174	-91.5	0	0	0	111.6	V121 Q148 K162 P163 R169 K170	V121-Y166 HydrophobicContact CG2-CD1 3.41Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.41Å; V121-Y166 HydrophobicContact CG2-CE1 4.01Å; V121-Y166 HydrophobicContact CG2-CG 4.25Å; Q148-Y166 HydrophobicContact CB-CD1 3.86Å; Q148-Y166 HydrophobicContact CB-CD2 3.94Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.66Å; Q148-Y166 HydrophobicContact CB-CG 4.03Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.46Å; Q148-Y166 HydrophobicContact CG-CD1 4.21Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.34Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.89Å; K162-Y166 WeakPolarHBondContact O-CB 3.39Å; K162-Y166 PolarHBondContact O-N 3.4Å; P163-Y166 PolarHBondContact O-N 3.34Å; Y166-R169 PolarHBondContact O-N 2.94Å; Y166-K170 HydrophobicContact CD1-CG 4.28Å; Y166-K170 HydrophobicContact CE1-CG 3.81Å; Y166-K170 HydrophobicContact CE2-CG 4.17Å; Y166-K170 WeakPolarHBondContact O-CG 3.43Å; Y166-K170 PolarHBondContact O-N 2.9Å; Y166-K170 WeakPolarHBondContact OH-CE 3.48Å
167	L	98.6	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-44.2	178.7	-69.4	177.5	0	0	0	111.4	L16 F64 C88 I90 P119 V121 P163 F164 R169 K170 L171	L16-L167 HydrophobicContact CD1-CD1 3.53Å; L16-L167 HydrophobicContact CG-CD1 4.44Å; F64-L167 HydrophobicContact CE1-CB 4.31Å; F64-L167 HydrophobicContact CZ-CB 4.1Å; C88-L167 HydrophobicContact CB-CD1 4.13Å; C88-L167 HydrophobicContact CB-CD2 3.81Å; C88-L167 HydrophobicContact CB-CG 4.37Å; I90-L167 HydrophobicContact CD1-CD1 4.35Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å; P119-L167 HydrophobicContact CB-CD2 3.85Å; P119-L167 HydrophobicContact CG-CD2 4.24Å; P119-L167 WeakPolarHBondContact O-CD2 3.4Å; V121-L167 HydrophobicContact CG2-CD1 4.29Å; V121-L167 HydrophobicContact CG2-CD2 3.76Å; V121-L167 HydrophobicContact CG2-CG 3.76Å; P163-L167 VanDerWaalsContact O-CG 3.31Å; P163-L167 WeakPolarHBondContact O-CG 3.45Å; P163-L167 PolarHBondContact O-N 3.16Å; F164-L167 PolarHBondContact O-N 3.42Å; L167-R169 PolarHBondContact O-N 2.93Å; L167-K170 PolarHBondContact O-N 2.89Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 WeakPolarHBondContact O-CD1 3.13Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.44Å
168	A	98.1	Very high	96.9	Very high	1 Å²	1	47 Å²	47	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-57.4	-47.6	176.6	0	0	0	0	0	111.7	I62 F64 F164 L165 K170 L171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.41Å; I62-A168 VanDerWaalsContact CD1-CB 3.41Å; F64-A168 HydrophobicContact CE2-CB 4.49Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F164-A168 VanDerWaalsContact O-CB 3.29Å; F164-A168 WeakPolarHBondContact O-CB 3.14Å; F164-A168 PolarHBondContact O-N 3.44Å; L165-A168 PolarHBondContact O-N 2.97Å; A168-K170 PolarHBondContact O-N 3.01Å; A168-L171 PolarHBondContact O-N 3.28Å; A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 3.47Å; A168-L177 HydrophobicContact CB-CD2 3.8Å; A168-F179 HydrophobicContact CB-CE1 4.36Å
169	R	98.3	Very high	97	Very high	88 Å²	88	47.2 Å²	47.2	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-58.7	-45.9	175.7	-72.4	172.4	172.2	168.8	-1.8	112.3	L165 Y166 L167 G173 D174 A175 L177	L165-R169 HydrophobicContact CD1-CG 4.37Å; L165-R169 VanDerWaalsContact O-CG 3.29Å; L165-R169 WeakPolarHBondContact O-CG 3.14Å; L165-R169 PolarHBondContact O-N 3.48Å; Y166-R169 PolarHBondContact O-N 2.94Å; L167-R169 PolarHBondContact O-N 2.93Å; R169-G173 WeakPolarHBondContact O-CA 3.42Å; R169-G173 PolarHBondContact O-N 3.01Å; R169-D174 WeakPolarHBondContact CA-O 3.41Å; R169-D174 WeakPolarHBondContact CB-O 3.49Å; R169-D174 VanDerWaalsContact CG-O 3.3Å; R169-D174 WeakPolarHBondContact CG-O 3.5Å; R169-D174 PolarHBondContact O-N 3.07Å; R169-D174 VanDerWaalsContact O-N 3.16Å; R169-A175 PolarHBondContact NE-O 3.04Å; R169-L177 HydrophobicContact CG-CB 4.03Å; R169-L177 HydrophobicContact CG-CD2 4.4Å; R169-L177 VanDerWaalsContact CZ-O 3.28Å; R169-L177 PolarHBondContact NE-O 3.33Å; R169-L177 PolarHBondContact NH2-O 3.35Å
170	K	98	Very high	97.1	Very high	125 Å²	125	49.8 Å²	49.8	54%	0.543	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-41.1	179.7	-74.6	-64.5	-172.9	179.8	0	112.5	P119 Y166 L167 A168	P119-K170 HydrophobicContact CB-CB 3.85Å; P119-K170 HydrophobicContact CB-CG 4.28Å; P119-K170 HydrophobicContact CG-CB 4.21Å; Y166-K170 HydrophobicContact CD1-CG 4.28Å; Y166-K170 HydrophobicContact CE1-CG 3.81Å; Y166-K170 HydrophobicContact CE2-CG 4.17Å; Y166-K170 WeakPolarHBondContact O-CG 3.43Å; Y166-K170 PolarHBondContact O-N 2.9Å; Y166-K170 WeakPolarHBondContact OH-CE 3.48Å; L167-K170 PolarHBondContact O-N 2.89Å; A168-K170 PolarHBondContact O-N 3.01Å
171	L	97.2	Very high	96.9	Very high	43 Å²	43	55 Å²	55	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-73.3	-36.7	-179.6	-70.3	164.8	0	0	0	112.5	F14 F64 Q87 C88 P119 L167 A168 G173	F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.19Å; F14-L171 HydrophobicContact CD1-CD1 3.85Å; F14-L171 HydrophobicContact CD1-CD2 4Å; F14-L171 HydrophobicContact CD1-CG 4.24Å; F14-L171 HydrophobicContact CD2-CD1 4.05Å; F14-L171 HydrophobicContact CE1-CB 3.84Å; F14-L171 HydrophobicContact CE1-CD1 4.34Å; F14-L171 HydrophobicContact CE1-CD2 4.27Å; F14-L171 HydrophobicContact CE1-CG 4.38Å; F14-L171 HydrophobicContact CE2-CB 4.37Å; F14-L171 HydrophobicContact CG-CD1 3.69Å; F14-L171 HydrophobicContact CZ-CB 3.94Å; F64-L171 HydrophobicContact CE1-CD1 3.62Å; F64-L171 HydrophobicContact CZ-CD1 4.16Å; Q87-L171 HydrophobicContact CB-CD2 4.33Å; C88-L171 HydrophobicContact CB-CD1 4.02Å; C88-L171 HydrophobicContact CB-CD2 4.5Å; P119-L171 HydrophobicContact CG-CD2 3.98Å; P119-L171 HydrophobicContact CG-CG 4.16Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 WeakPolarHBondContact O-CD1 3.13Å; L167-L171 VanDerWaalsContact O-CG 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.44Å; A168-L171 PolarHBondContact O-N 3.28Å; L171-G173 VanDerWaalsContact C-N 3.34Å
172	A	96.1	Very high	96.3	Very high	57 Å²	57	57.4 Å²	57.4	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-78.8	-17.8	176.2	0	0	0	0	0	113.2	A168 D174 L177	A168-A172 WeakPolarHBondContact O-CB 3.3Å; A168-A172 PolarHBondContact O-N 3.47Å; A172-D174 HydrophobicContact CB-CB 4.46Å; A172-D174 PolarHBondContact O-N 3.35Å; A172-L177 HydrophobicContact CB-CD1 3.78Å
173	G	96.7	Very high	95.4	Very high	74 Å²	74	55.3 Å²	55.3	76%	0.763	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	19.4	-172	0	0	0	0	0	113.5	R169 L171	R169-G173 WeakPolarHBondContact O-CA 3.42Å; R169-G173 PolarHBondContact O-N 3.01Å; L171-G173 VanDerWaalsContact C-N 3.34Å
174	D	97.2	Very high	94.7	Very high	46 Å²	46	59.9 Å²	59.9	25%	0.246	36%	0.358	C	S	.	.			trans	-121.7	112.5	-177.8	-178.1	7.5	0	0	0	110.8	R169 A172 N176 L177	R169-D174 WeakPolarHBondContact CA-O 3.41Å; R169-D174 WeakPolarHBondContact CB-O 3.49Å; R169-D174 VanDerWaalsContact CG-O 3.3Å; R169-D174 WeakPolarHBondContact CG-O 3.5Å; R169-D174 PolarHBondContact O-N 3.07Å; R169-D174 VanDerWaalsContact O-N 3.16Å; A172-D174 HydrophobicContact CB-CB 4.46Å; A172-D174 PolarHBondContact O-N 3.35Å; D174-N176 VanDerWaalsContact C-N 3.3Å; D174-N176 PolarHBondContact O-N 3.03Å; D174-N176 WeakPolarHBondContact OD1-CA 3.23Å; D174-N176 WeakPolarHBondContact OD1-CB 3.45Å; D174-N176 PolarHBondContact OD1-N 3.3Å; D174-L177 HydrophobicContact CB-CB 4.27Å; D174-L177 WeakPolarHBondContact O-CB 3.47Å
175	A	96.5	Very high	94	Very high	77 Å²	77	62.2 Å²	62.2	64%	0.636	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21.2	177.6	0	0	0	0	0	113.4	R169	R169-A175 PolarHBondContact NE-O 3.04Å
176	N	97.4	Very high	93.2	Very high	126 Å²	126	62.4 Å²	62.4	67%	0.674	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.3	-179	-59.3	-51.8	0	0	0	112.8	D174 H178	D174-N176 VanDerWaalsContact C-N 3.3Å; D174-N176 PolarHBondContact O-N 3.03Å; D174-N176 WeakPolarHBondContact OD1-CA 3.23Å; D174-N176 WeakPolarHBondContact OD1-CB 3.45Å; D174-N176 PolarHBondContact OD1-N 3.3Å; N176-H178 PolarHBondContact O-N 3.11Å; N176-H178 PolarHBondContact O-ND1 2.82Å
177	L	97.8	Very high	92.5	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.026	40%	0.403	C	S	.	.			trans	-54.3	130.7	174.3	-174.3	155.1	0	0	0	109.5	T57 N58 L165 A168 R169 A172 D174 F179	T57-L177 HydrophobicContact CG2-CD1 4.28Å; T57-L177 HydrophobicContact CG2-CD2 3.85Å; T57-L177 HydrophobicContact CG2-CG 4.17Å; N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.26Å; L165-L177 HydrophobicContact CD1-CD2 3.82Å; A168-L177 HydrophobicContact CB-CD2 3.8Å; R169-L177 HydrophobicContact CG-CB 4.03Å; R169-L177 HydrophobicContact CG-CD2 4.4Å; R169-L177 VanDerWaalsContact CZ-O 3.28Å; R169-L177 PolarHBondContact NE-O 3.33Å; R169-L177 PolarHBondContact NH2-O 3.35Å; A172-L177 HydrophobicContact CB-CD1 3.78Å; D174-L177 HydrophobicContact CB-CB 4.27Å; D174-L177 WeakPolarHBondContact O-CB 3.47Å; L177-F179 HydrophobicContact CD2-CE1 4.48Å
178	H	97	Very high	91.8	Very high	88 Å²	88	68.7 Å²	68.7	41%	0.407	42%	0.422	S	S	.	.			trans	-144.1	152.8	175.8	59.4	-82.1	0	0	0	110.4	T57 N58 N176	T57-H178 CarbonylContact C-O 3.59Å; T57-H178 VanDerWaalsContact CA-O 3.23Å; T57-H178 WeakPolarHBondContact CA-O 3.2Å; N58-H178 VanDerWaalsContact CB-CE1 3.45Å; N58-H178 WeakPolarHBondContact CB-CE1 2.95Å; N58-H178 PolarHBondContact N-O 3.03Å; N58-H178 PolarHBondContact OD1-N 3.35Å; N58-H178 PolarHBondContact OD1-O 2.92Å; N176-H178 PolarHBondContact O-N 3.11Å; N176-H178 PolarHBondContact O-ND1 2.82Å
179	F	96.4	Very high	91.1	Very high	30 Å²	30	72.6 Å²	72.6	13%	0.132	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-73.7	134.5	173.9	-59.2	-29.5	0	0	0	109.7	F55 F56 T57 I62 E161 F164 L165 A168 L177	F55-F179 HydrophobicContact CB-CD1 4.01Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 3.97Å; F55-F179 HydrophobicContact CD1-CD1 4.43Å; F55-F179 HydrophobicContact CD1-CD2 4Å; F55-F179 AromaticContact CD1-CE1 3.98Å; F55-F179 HydrophobicContact CD1-CE1 3.98Å; F55-F179 AromaticContact CD1-CE2 3.48Å; F55-F179 HydrophobicContact CD1-CE2 3.48Å; F55-F179 VanDerWaalsContact CD1-CE2 3.48Å; F55-F179 HydrophobicContact CD1-CG 4.46Å; F55-F179 AromaticContact CD1-CZ 3.46Å; F55-F179 HydrophobicContact CD1-CZ 3.46Å; F55-F179 VanDerWaalsContact CD1-CZ 3.46Å; F55-F179 AromaticContact CE1-CE2 3.9Å; F55-F179 HydrophobicContact CE1-CE2 3.9Å; F55-F179 HydrophobicContact CE1-CZ 4.11Å; F55-F179 AromaticContact CG-CE1 3.99Å; F55-F179 HydrophobicContact CG-CE1 3.99Å; F55-F179 HydrophobicContact CG-CE2 4.27Å; F55-F179 AromaticContact CG-CZ 3.79Å; F55-F179 HydrophobicContact CG-CZ 3.79Å; F56-F179 CarbonylContact O-C 3.55Å; F56-F179 VanDerWaalsContact O-CA 3.25Å; F56-F179 WeakPolarHBondContact O-CA 3.1Å; T57-F179 HydrophobicContact CG2-CD1 4.01Å; T57-F179 HydrophobicContact CG2-CE1 4.15Å; I62-F179 HydrophobicContact CD1-CE1 4.38Å; E161-F179 HydrophobicContact CB-CD2 4.15Å; E161-F179 HydrophobicContact CB-CE2 4.11Å; E161-F179 WeakPolarHBondContact OE1-CD2 3.13Å; F164-F179 HydrophobicContact CB-CE2 4.17Å; F164-F179 HydrophobicContact CB-CZ 4Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.77Å; L165-F179 HydrophobicContact CB-CZ 3.96Å; L165-F179 HydrophobicContact CD1-CD1 4.25Å; L165-F179 HydrophobicContact CD1-CE1 4.16Å; L165-F179 HydrophobicContact CD1-CE2 4.47Å; L165-F179 HydrophobicContact CD1-CG 4.43Å; L165-F179 HydrophobicContact CD1-CZ 4.29Å; A168-F179 HydrophobicContact CB-CE1 4.36Å; L177-F179 HydrophobicContact CD2-CE1 4.48Å
180	V	96.4	Very high	90.6	Very high	80 Å²	80	70.3 Å²	70.3	49%	0.485	44%	0.436	S	S	.	.	S	Bend	trans	-97.9	-14.2	-179.8	-67.6	0	0	0	0	112.4	F56 N58	F56-V180 HydrophobicContact CB-CG2 3.82Å; F56-V180 WeakPolarHBondContact O-CG2 3.39Å; F56-V180 PolarHBondContact O-N 3.07Å; N58-V180 HydrophobicContact CB-CG1 4.02Å
181	E	89.3	Confident	90	Very high	115 Å²	115	73.3 Å²	73.3	54%	0.537	45%	0.452	S	S	.	.	S	Bend	trans	-133	137.6	175.6	-66.4	176	-170	0	0	108.5	F56	F56-E181 HydrophobicContact CB-CB 4.34Å; F56-E181 HydrophobicContact CB-CG 4.4Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.47Å
182	S	81.3	Confident	89.7	Confident	98 Å²	98	72.8 Å²	72.8	69%	0.685	45%	0.449	S	S	*	.			trans	-81.3	144	168.8	-65.9	0	0	0	0	109.8
183	P	77.5	Confident	89.5	Confident	34 Å²	34	74.3 Å²	74.3	22%	0.221	45%	0.45	C	S	.	.			trans	-57.6	146.4	173.1	13.4	-19.9	0	0	0	110.6	E161 L185	E161-P183 HydrophobicContact CG-CG 4.06Å; E161-P183 WeakPolarHBondContact OE1-CD 3.43Å; P183-L185 HydrophobicContact CB-CD2 4.04Å; P183-L185 HydrophobicContact CB-CG 4.23Å; P183-L185 HydrophobicContact CG-CD1 4.39Å; P183-L185 HydrophobicContact CG-CD2 4.22Å; P183-L185 HydrophobicContact CG-CG 4.2Å; P183-L185 WeakPolarHBondContact O-CG 3.48Å; P183-L185 PolarHBondContact O-N 3.19Å
184	A	84	Confident	89.2	Confident	97 Å²	97	75.9 Å²	75.9	80%	0.802	44%	0.44	S	S	*	.			trans	-71.4	77.8	177.2	0	0	0	0	0	110.4	G36	G36-A184 WeakPolarHBondContact CA-O 3.35Å
185	L	83	Confident	89	Confident	50 Å²	50	76.8 Å²	76.8	26%	0.262	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-85.8	135	-177.7	-57.5	178.8	0	0	0	111	R32 N157 F160 P183	R32-L185 HydrophobicContact CG-CD2 4.46Å; R32-L185 VanDerWaalsContact O-CD2 3.3Å; R32-L185 WeakPolarHBondContact O-CD2 3.39Å; N157-L185 HydrophobicContact CB-CD1 3.99Å; F160-L185 HydrophobicContact CD1-CD1 3.72Å; F160-L185 HydrophobicContact CD1-CD2 4.05Å; F160-L185 HydrophobicContact CE1-CD1 4.07Å; F160-L185 HydrophobicContact CE1-CD2 3.52Å; F160-L185 HydrophobicContact CE1-CG 4.46Å; F160-L185 HydrophobicContact CZ-CD2 4.36Å; P183-L185 HydrophobicContact CB-CD2 4.04Å; P183-L185 HydrophobicContact CB-CG 4.23Å; P183-L185 HydrophobicContact CG-CD1 4.39Å; P183-L185 HydrophobicContact CG-CD2 4.22Å; P183-L185 HydrophobicContact CG-CG 4.2Å; P183-L185 WeakPolarHBondContact O-CG 3.48Å; P183-L185 PolarHBondContact O-N 3.19Å
186	A	82.5	Confident	88.7	Confident	35 Å²	35	74.4 Å²	74.4	29%	0.289	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.7	151.6	165.9	0	0	0	0	0	109.6	R32 G36 N157	R32-A186 PolarHBondContact NH2-O 2.89Å; G36-A186 WeakPolarHBondContact O-CB 3.39Å; G36-A186 PolarHBondContact O-N 3.28Å; N157-A186 PolarHBondContact ND2-O 3.39Å
187	P	84	Confident	88.4	Confident	112 Å²	112	68.6 Å²	68.6	73%	0.727	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-49.7	143.3	175.6	-26.5	33.9	0	0	0	111.6	R32	R32-P187 PolarHBondContact NH2-O 2.72Å
188	P	83.8	Confident	88.2	Confident	61 Å²	61	74.7 Å²	74.7	40%	0.396	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-65.7	139.2	178.6	28.2	-34.1	0	0	0	110.6	V190	P188-V190 PolarHBondContact O-N 3.38Å
189	E	81.8	Confident	88	Confident	83 Å²	83	76 Å²	76	39%	0.388	44%	0.438	S	S	.	.	S	Bend	trans	-74.8	-18.9	177.1	-63.2	-166.5	170.2	0	0	112.8	F38 K40 K155	F38-E189 HydrophobicContact CB-CG 4.48Å; F38-E189 HydrophobicContact CD1-CG 4.4Å; K40-E189 WeakPolarHBondContact CE-OE1 3.33Å; K40-E189 VanDerWaalsContact CE-OE2 3.24Å; K40-E189 WeakPolarHBondContact CE-OE2 3.19Å; K40-E189 IonicContact NZ-OE1 3.46Å; K40-E189 PolarHBondContact NZ-OE1 3.1Å; K155-E189 HydrophobicContact CG-CB 4.27Å; K155-E189 PolarHBondContact O-N 2.85Å
190	V	87.8	Confident	87.7	Confident	41 Å²	41	76.3 Å²	76.3	25%	0.248	44%	0.439	C	S	.	.	S	Bend	trans	-137.4	140.5	178.9	-65.8	0	0	0	0	109.4	D128 K155 S156 P188	D128-V190 HydrophobicContact CB-CG2 3.78Å; K155-V190 HydrophobicContact CB-CG2 4.06Å; K155-V190 HydrophobicContact CD-CG1 4.01Å; K155-V190 HydrophobicContact CD-CG2 3.71Å; K155-V190 HydrophobicContact CG-CG2 3.74Å; S156-V190 VanDerWaalsContact CB-O 3.27Å; S156-V190 WeakPolarHBondContact CB-O 3.36Å; P188-V190 PolarHBondContact O-N 3.38Å
191	Q	87.4	Confident	87.5	Confident	188 Å²	188	76.6 Å²	76.6	88%	0.879	44%	0.435	S	S	*	.			trans	-79.8	135.3	169.3	-71.3	-177.4	-17.4	0	0	109.6
192	I	89.9	Confident	87.6	Confident	32 Å²	32	74 Å²	74	16%	0.164	43%	0.434	C	S	.	.			trans	-75.3	135.9	171.8	-169.2	94.9	0	0	0	109	V127 Y158 L194 Q197	V127-I192 HydrophobicContact CG2-CD1 3.74Å; Y158-I192 HydrophobicContact CD1-CD1 3.95Å; Y158-I192 HydrophobicContact CD2-CD1 4.25Å; Y158-I192 HydrophobicContact CD2-CG1 4.01Å; Y158-I192 HydrophobicContact CD2-CG2 4.28Å; Y158-I192 HydrophobicContact CG-CD1 3.68Å; Y158-I192 HydrophobicContact CG-CG1 3.97Å; I192-L194 HydrophobicContact CG2-CD2 3.68Å; I192-L194 HydrophobicContact CG2-CG 4.14Å; I192-L194 PolarHBondContact O-N 3.09Å; I192-L194 VanDerWaalsContact O-N 3.13Å; I192-Q197 HydrophobicContact CD1-CG 3.86Å; I192-Q197 HydrophobicContact CG1-CG 3.52Å
193	D	91.6	Very high	88.1	Confident	89 Å²	89	72.3 Å²	72.3	48%	0.476	42%	0.415	S	S	.	.			trans	-76.1	96.7	169.1	-175.4	-20.8	0	0	0	109.3	A195 A196 Q197	D193-A195 VanDerWaalsContact C-N 3.27Å; D193-A195 PolarHBondContact O-N 3.39Å; D193-A195 PolarHBondContact OD1-N 3.24Å; D193-A195 VanDerWaalsContact OD1-N 3.12Å; D193-A196 HydrophobicContact CB-CB 3.93Å; D193-A196 PolarHBondContact O-N 3.12Å; D193-A196 PolarHBondContact OD1-N 2.73Å; D193-A196 VanDerWaalsContact OD1-N 3.08Å; D193-Q197 WeakPolarHBondContact O-CG 3.33Å; D193-Q197 PolarHBondContact O-N 2.77Å
194	L	90.9	Very high	88.6	Confident	106 Å²	106	72.2 Å²	72.2	56%	0.555	41%	0.413	S	S	*	.	H	α-helix	trans	-63.2	-31.9	-177	-67.6	174.7	0	0	0	112.8	I192 Q197 Q198	I192-L194 HydrophobicContact CG2-CD2 3.68Å; I192-L194 HydrophobicContact CG2-CG 4.14Å; I192-L194 PolarHBondContact O-N 3.09Å; I192-L194 VanDerWaalsContact O-N 3.13Å; L194-Q197 PolarHBondContact O-N 3.47Å; L194-Q198 WeakPolarHBondContact O-CB 3.32Å; L194-Q198 VanDerWaalsContact O-CG 3.3Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 2.64Å
195	A	92.9	Very high	88.8	Confident	66 Å²	66	70.8 Å²	70.8	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-68.1	-43.2	178.2	0	0	0	0	0	110.3	D193 Q197 Q198 Q199	D193-A195 VanDerWaalsContact C-N 3.27Å; D193-A195 PolarHBondContact O-N 3.39Å; D193-A195 PolarHBondContact OD1-N 3.24Å; D193-A195 VanDerWaalsContact OD1-N 3.12Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 2.97Å; A195-Q198 PolarHBondContact O-N 3.39Å; A195-Q199 PolarHBondContact O-N 2.8Å; A195-Q199 VanDerWaalsContact O-N 3.08Å
196	A	90.8	Very high	89.1	Confident	26 Å²	26	71 Å²	71	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-40.8	173.6	0	0	0	0	0	112	D193 Q199 H200	D193-A196 HydrophobicContact CB-CB 3.93Å; D193-A196 PolarHBondContact O-N 3.12Å; D193-A196 PolarHBondContact OD1-N 2.73Å; D193-A196 VanDerWaalsContact OD1-N 3.08Å; A196-Q199 WeakPolarHBondContact O-CB 3.46Å; A196-Q199 PolarHBondContact O-N 2.88Å; A196-H200 VanDerWaalsContact O-CG 3.31Å; A196-H200 PolarHBondContact O-N 2.8Å; A196-H200 PolarHBondContact O-ND1 2.92Å
197	Q	91.2	Very high	89.3	Confident	5 Å²	5	70 Å²	70	2%	0.023	40%	0.402	C	S	.	.	H	α-helix	trans	-67.5	-39.4	177.5	-60.6	-44	-46.4	0	0	112.8	V127 E151 Y158 I192 D193 L194 A195 Q199 H200 E201	V127-Q197 PolarHBondContact O-NE2 3.18Å; V127-Q197 VanDerWaalsContact O-NE2 3.1Å; E151-Q197 PolarHBondContact OE2-OE1 3.02Å; Y158-Q197 HydrophobicContact CE1-CB 4.4Å; Y158-Q197 HydrophobicContact CE1-CG 4.02Å; Y158-Q197 HydrophobicContact CE2-CB 4.18Å; Y158-Q197 HydrophobicContact CE2-CG 4.07Å; I192-Q197 HydrophobicContact CD1-CG 3.86Å; I192-Q197 HydrophobicContact CG1-CG 3.52Å; D193-Q197 WeakPolarHBondContact O-CG 3.33Å; D193-Q197 PolarHBondContact O-N 2.77Å; L194-Q197 PolarHBondContact O-N 3.47Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 2.97Å; Q197-Q199 VanDerWaalsContact C-N 3.26Å; Q197-Q199 PolarHBondContact O-N 3.04Å; Q197-H200 PolarHBondContact O-N 3.1Å; Q197-H200 VanDerWaalsContact O-N 3.16Å; Q197-H200 PolarHBondContact OE1-ND1 3Å; Q197-E201 WeakPolarHBondContact O-CG 3.22Å; Q197-E201 PolarHBondContact O-N 3.48Å
198	Q	92.4	Very high	89.3	Confident	132 Å²	132	67.3 Å²	67.3	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-61	-38.1	174.1	-75.8	173.9	-4.5	0	0	111.6	L194 A195 E201 A202	L194-Q198 WeakPolarHBondContact O-CB 3.32Å; L194-Q198 VanDerWaalsContact O-CG 3.3Å; L194-Q198 WeakPolarHBondContact O-CG 3.35Å; L194-Q198 PolarHBondContact O-N 2.64Å; A195-Q198 PolarHBondContact O-N 3.39Å; Q198-E201 PolarHBondContact O-N 3.05Å; Q198-A202 WeakPolarHBondContact O-CB 3.23Å; Q198-A202 PolarHBondContact O-N 3.48Å
199	Q	92.7	Very high	89.2	Confident	117 Å²	117	69.3 Å²	69.3	55%	0.547	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-45	173.2	-174.7	-179.2	-11.8	0	0	111.6	A195 A196 Q197 E201 A202 E203	A195-Q199 PolarHBondContact O-N 2.8Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; A196-Q199 WeakPolarHBondContact O-CB 3.46Å; A196-Q199 PolarHBondContact O-N 2.88Å; Q197-Q199 VanDerWaalsContact C-N 3.26Å; Q197-Q199 PolarHBondContact O-N 3.04Å; Q199-E201 PolarHBondContact O-N 2.97Å; Q199-A202 PolarHBondContact O-N 2.8Å; Q199-E203 PolarHBondContact NE2-OE1 2.89Å; Q199-E203 WeakPolarHBondContact O-CG 3.33Å; Q199-E203 PolarHBondContact O-N 3.18Å
200	H	91.1	Very high	89.3	Confident	36 Å²	36	71.2 Å²	71.2	17%	0.167	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-41.3	176.3	-62.7	154.6	0	0	0	112.6	R132 A136 E151 A196 Q197 A202 E203 L204	R132-H200 PolarHBondContact NH1-CE1 2.68Å; R132-H200 PolarHBondContact NH1-ND1 3.21Å; A136-H200 HydrophobicContact CB-CB 4.16Å; E151-H200 IonicContact OE2-CG 3.59Å; E151-H200 IonicContact OE2-ND1 3.28Å; A196-H200 VanDerWaalsContact O-CG 3.31Å; A196-H200 PolarHBondContact O-N 2.8Å; A196-H200 PolarHBondContact O-ND1 2.92Å; Q197-H200 PolarHBondContact O-N 3.1Å; Q197-H200 VanDerWaalsContact O-N 3.16Å; Q197-H200 PolarHBondContact OE1-ND1 3Å; H200-A202 VanDerWaalsContact C-N 3.34Å; H200-E203 PolarHBondContact O-N 3.09Å; H200-L204 WeakPolarHBondContact O-CG 3.4Å; H200-L204 PolarHBondContact O-N 3.26Å
201	E	91.3	Very high	89.1	Confident	85 Å²	85	75 Å²	75	40%	0.397	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-41.4	174.8	-74.7	-177.9	170.8	0	0	111.3	Y158 Q197 Q198 Q199 L204 A205	Y158-E201 PolarHBondContact OH-OE1 3.38Å; Q197-E201 WeakPolarHBondContact O-CG 3.22Å; Q197-E201 PolarHBondContact O-N 3.48Å; Q198-E201 PolarHBondContact O-N 3.05Å; Q199-E201 PolarHBondContact O-N 2.97Å; E201-L204 PolarHBondContact O-N 3.04Å; E201-A205 WeakPolarHBondContact O-CB 3.45Å; E201-A205 PolarHBondContact O-N 3.14Å
202	A	92.1	Very high	88.9	Confident	61 Å²	61	69.2 Å²	69.2	50%	0.504	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-40.9	174.7	0	0	0	0	0	112.3	Q198 Q199 H200 A205 A206	Q198-A202 WeakPolarHBondContact O-CB 3.23Å; Q198-A202 PolarHBondContact O-N 3.48Å; Q199-A202 PolarHBondContact O-N 2.8Å; H200-A202 VanDerWaalsContact C-N 3.34Å; A202-A205 PolarHBondContact O-N 2.91Å; A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 3.21Å
203	E	90.8	Very high	88.2	Confident	62 Å²	62	70 Å²	70	29%	0.29	42%	0.42	S	S	.	.	H	α-helix	trans	-63.1	-40.6	174.4	-75.3	-179.4	-165.8	0	0	112.1	A136 Q199 H200 A206 A207	A136-E203 HydrophobicContact CB-CB 3.95Å; Q199-E203 PolarHBondContact NE2-OE1 2.89Å; Q199-E203 WeakPolarHBondContact O-CG 3.33Å; Q199-E203 PolarHBondContact O-N 3.18Å; H200-E203 PolarHBondContact O-N 3.09Å; E203-A206 PolarHBondContact O-N 2.64Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 2.72Å; E203-A207 PolarHBondContact O-N 2.62Å
204	L	88.3	Confident	87.1	Confident	33 Å²	33	71.6 Å²	71.6	17%	0.173	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-45.6	174.2	-79.5	161.5	0	0	0	111.7	A136 Y149 E151 H200 E201 A206 A207 A208	A136-L204 HydrophobicContact CB-CD1 4.49Å; A136-L204 HydrophobicContact CB-CD2 4.45Å; A136-L204 HydrophobicContact CB-CG 3.95Å; A136-L204 WeakPolarHBondContact O-CD2 3Å; Y149-L204 HydrophobicContact CD1-CD1 4.09Å; Y149-L204 HydrophobicContact CD1-CD2 3.76Å; Y149-L204 HydrophobicContact CE1-CD1 3.65Å; Y149-L204 HydrophobicContact CE1-CD2 3.55Å; Y149-L204 HydrophobicContact CE1-CG 4.24Å; E151-L204 HydrophobicContact CG-CD1 4.39Å; H200-L204 WeakPolarHBondContact O-CG 3.4Å; H200-L204 PolarHBondContact O-N 3.26Å; E201-L204 PolarHBondContact O-N 3.04Å; L204-A206 VanDerWaalsContact C-N 3.35Å; L204-A206 PolarHBondContact O-N 2.68Å; L204-A207 PolarHBondContact O-N 2.99Å; L204-A208 PolarHBondContact O-N 2.83Å
205	A	88.5	Confident	85.8	Confident	67 Å²	67	72.4 Å²	72.4	55%	0.554	43%	0.434	S	S	*	.	H	α-helix	trans	-63.2	-41.3	177.9	0	0	0	0	0	111.8	E201 A202 A208	E201-A205 WeakPolarHBondContact O-CB 3.45Å; E201-A205 PolarHBondContact O-N 3.14Å; A202-A205 PolarHBondContact O-N 2.91Å; A205-A208 WeakPolarHBondContact O-CB 3.25Å; A205-A208 PolarHBondContact O-N 3.26Å
206	A	90	Very high	83.9	Confident	53 Å²	53	76.3 Å²	76.3	44%	0.438	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-39	175.4	0	0	0	0	0	112.2	A202 E203 L204 A208 S209	A202-A206 WeakPolarHBondContact O-CB 3.24Å; A202-A206 PolarHBondContact O-N 3.21Å; E203-A206 PolarHBondContact O-N 2.64Å; L204-A206 VanDerWaalsContact C-N 3.35Å; L204-A206 PolarHBondContact O-N 2.68Å; A206-A208 VanDerWaalsContact C-N 3.29Å; A206-A208 PolarHBondContact O-N 2.79Å; A206-S209 PolarHBondContact O-N 3.35Å; A206-S209 PolarHBondContact O-OG 3.49Å
207	A	85.7	Confident	82	Confident	16 Å²	16	80.6 Å²	80.6	13%	0.132	46%	0.464	C	S	.	.	H	α-helix	trans	-68.9	-27.9	176.1	0	0	0	0	0	112.4	K137 R143 E203 L204 S209 Q210	K137-A207 HydrophobicContact CB-CB 4.35Å; R143-A207 PolarHBondContact NH1-O 2.84Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 2.72Å; E203-A207 PolarHBondContact O-N 2.62Å; L204-A207 PolarHBondContact O-N 2.99Å; A207-S209 PolarHBondContact O-N 3.44Å; A207-Q210 PolarHBondContact O-N 3.1Å; A207-Q210 VanDerWaalsContact O-N 3.14Å
208	A	83.7	Confident	80	Confident	54 Å²	54	83.7 Å²	83.7	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-27	178.7	0	0	0	0	0	113.3	R143 L204 A205 A206	R143-A208 PolarHBondContact NH2-O 2.99Å; L204-A208 PolarHBondContact O-N 2.83Å; A205-A208 WeakPolarHBondContact O-CB 3.25Å; A205-A208 PolarHBondContact O-N 3.26Å; A206-A208 VanDerWaalsContact C-N 3.29Å; A206-A208 PolarHBondContact O-N 2.79Å
209	S	81.7	Confident	77.8	Confident	103 Å²	103	82.7 Å²	82.7	72%	0.72	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.7	176.6	63.1	0	0	0	0	114.1	A206 A207	A206-S209 PolarHBondContact O-N 3.35Å; A206-S209 PolarHBondContact O-OG 3.49Å; A207-S209 PolarHBondContact O-N 3.44Å
210	Q	84.3	Confident	75.9	Confident	123 Å²	123	80 Å²	80	58%	0.575	47%	0.471	S	S	*	.	S	Bend	trans	-90	151.4	179.3	-66.5	-170.5	-6.4	0	0	112.3	R143 A207	R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.92Å; R143-Q210 PolarHBondContact NH2-O 2.91Å; A207-Q210 PolarHBondContact O-N 3.1Å; A207-Q210 VanDerWaalsContact O-N 3.14Å
211	P	83.5	Confident	73.6	Confident	120 Å²	120	89.1 Å²	89.1	78%	0.779	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-52.8	147.9	170.6	-22	32.4	0	0	0	111.4
212	L	82.6	Confident	72.8	Confident	67 Å²	67	89.3 Å²	89.3	35%	0.351	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-71.3	138.8	172.6	-69.8	166.1	0	0	0	108.7	R143 K144	R143-L212 HydrophobicContact CB-CD1 4.41Å; R143-L212 HydrophobicContact CB-CD2 3.72Å; R143-L212 HydrophobicContact CG-CD2 4.48Å; K144-L212 HydrophobicContact CG-CD1 4.01Å; K144-L212 HydrophobicContact CG-CD2 4.26Å
213	P	76.2	Confident	71.7	Confident	49 Å²	49	90.8 Å²	90.8	32%	0.318	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.8	171	25.7	-31.2	0	0	0	109.4	T140 D217	T140-P213 HydrophobicContact CG2-CG 4.23Å; P213-D217 HydrophobicContact CB-CB 4.24Å
214	D	69.3	Low	70.7	Confident	123 Å²	123	92.4 Å²	92.4	66%	0.658	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-59.7	147.4	175.4	-73.2	-34.6	0	0	0	109.4	D216 D217	D214-D216 PolarHBondContact O-N 3.38Å; D214-D217 PolarHBondContact O-N 3.35Å
215	D	62.3	Low	69.6	Low	123 Å²	123	95.9 Å²	95.9	66%	0.658	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-59.5	-17.2	-173.1	-78.7	-26.5	0	0	0	113.3	K144	K144-D215 IonicContact NZ-OD1 3.45Å; K144-D215 PolarHBondContact NZ-OD1 3.16Å
216	D	52.8	Low	68.5	Low	148 Å²	148	97.7 Å²	97.7	79%	0.791	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-79.5	-15.9	176.9	-65.1	-31.4	0	0	0	113.7	D214 D218	D214-D216 PolarHBondContact O-N 3.38Å; D216-D218 VanDerWaalsContact C-N 3.34Å; D216-D218 PolarHBondContact O-N 3.33Å
217	D	51.3	Low	67	Low	115 Å²	115	100.7 Å²	100.7	62%	0.615	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-85.1	-0.9	-179.5	-81	-21.2	0	0	0	113.7	P213 D214 T219	P213-D217 HydrophobicContact CB-CB 4.24Å; D214-D217 PolarHBondContact O-N 3.35Å; D217-T219 PolarHBondContact O-N 3.29Å
218	D	50.3	Low	65.7	Low	70 Å²	70	106.7 Å²	106.7	37%	0.374	59%	0.593	S	S	.	*			trans	-70.6	18.1	178.2	-79.9	-33.3	0	0	0	113.4	K144 D216 F220	K144-D218 IonicContact NZ-OD2 2.65Å; K144-D218 PolarHBondContact NZ-OD2 3.48Å; D216-D218 VanDerWaalsContact C-N 3.34Å; D216-D218 PolarHBondContact O-N 3.33Å; D218-F220 VanDerWaalsContact C-N 3.29Å; D218-F220 WeakPolarHBondContact O-CD2 3.43Å; D218-F220 PolarHBondContact O-N 3.31Å
219	T	45.4	Very low	64.3	Low	112 Å²	112	110.8 Å²	110.8	69%	0.687	60%	0.604	S	S	*	*			trans	-76.2	82.2	167.7	-36.4	0	0	0	0	108.7	D217 E221	D217-T219 PolarHBondContact O-N 3.29Å; T219-E221 VanDerWaalsContact C-N 3.34Å; T219-E221 PolarHBondContact O-N 3.25Å
220	F	53.1	Low	62.9	Low	59 Å²	59	111.4 Å²	111.4	26%	0.259	59%	0.594	S	S	.	*			trans	-61.4	94.8	167.5	-71.3	-93.3	0	0	0	109.3	Y101 Q138 D218	Y101-F220 HydrophobicContact CD1-CE2 4.43Å; Y101-F220 AromaticContact CD1-CZ 3.82Å; Y101-F220 HydrophobicContact CD1-CZ 3.82Å; Y101-F220 AromaticContact CE1-CZ 3.95Å; Y101-F220 HydrophobicContact CE1-CZ 3.95Å; Q138-F220 HydrophobicContact CB-CE1 4.07Å; Q138-F220 HydrophobicContact CG-CE1 4.36Å; D218-F220 VanDerWaalsContact C-N 3.29Å; D218-F220 WeakPolarHBondContact O-CD2 3.43Å; D218-F220 PolarHBondContact O-N 3.31Å
221	E	43.4	Very low	60.9	Low	228 Å²	228	110.4 Å²	110.4	100%	1.065	60%	0.596	S	S	*	*			trans	-61.8	0	163.1	-73.2	-169.6	162.2	0	0	111.6	R98 T219	R98-E221 PolarHBondContact NH1-O 3.46Å; R98-E221 PolarHBondContact NH1-OXT 2.68Å; T219-E221 VanDerWaalsContact C-N 3.34Å; T219-E221 PolarHBondContact O-N 3.25Å

Retrieved 221 of 221 residues in 98.4 ms (Link to these results)

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