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GTP-binding nuclear protein Ran-2

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 (Q7GD79), UniProt , Accession A2Y7R5, Species ORYSI (Oryza sativa subsp. indica, Rice), Gene RAN2, 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	40.7	Very low	62.9	Low	198 Å²	198	97.9 Å²	97.9	98%	0.975	57%	0.568	S	S	*	*				0	119.1	0	-86.7	-177.7	-121.4	0	0	108.5
2	A	40.8	Very low	65.7	Low	39 Å²	39	96 Å²	96	32%	0.322	56%	0.561	S	S	.	*			trans	-64	150	165.3	0	0	0	0	0	108.8	Q6	A2-Q6 HydrophobicContact CB-CB 4.43Å
3	L	48.5	Very low	68	Low	68 Å²	68	92.1 Å²	92.1	36%	0.356	54%	0.542	S	S	.	.			trans	-55.5	151.7	174.5	-72.1	176.6	0	0	0	110	N5 Q6 V50 W67	L3-N5 PolarHBondContact O-N 2.82Å; L3-Q6 PolarHBondContact O-N 3.38Å; L3-Q6 VanDerWaalsContact O-N 3.1Å; L3-V50 HydrophobicContact CD1-CB 3.78Å; L3-V50 HydrophobicContact CD1-CG2 3.31Å; L3-V50 HydrophobicContact CG-CG2 4.06Å; L3-W67 HydrophobicContact CD2-CH2 3.75Å; L3-W67 HydrophobicContact CD2-CZ2 4.15Å; L3-W67 HydrophobicContact CG-CH2 4.12Å; L3-W67 HydrophobicContact CG-CZ2 4.03Å
4	P	42.8	Very low	70.1	Confident	126 Å²	126	87.6 Å²	87.6	82%	0.818	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-9.4	-165.2	-26.8	33.9	0	0	0	117.7
5	N	48.7	Very low	71.9	Confident	162 Å²	162	82.9 Å²	82.9	87%	0.866	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	14	-175.6	-70.3	-20.6	0	0	0	114.5	L3	L3-N5 PolarHBondContact O-N 2.82Å
6	Q	56.6	Low	73.5	Confident	49 Å²	49	77.8 Å²	77.8	23%	0.229	45%	0.453	C	S	.	.	S	Bend	trans	-101.2	108.2	172.3	-73	-174.4	-6.8	0	0	109.5	A2 L3 T8 V50 Y65	A2-Q6 HydrophobicContact CB-CB 4.43Å; L3-Q6 PolarHBondContact O-N 3.38Å; L3-Q6 VanDerWaalsContact O-N 3.1Å; Q6-T8 PolarHBondContact O-N 3.14Å; Q6-V50 PolarHBondContact NE2-O 3.37Å; Q6-Y65 HydrophobicContact CB-CE1 4.03Å; Q6-Y65 VanDerWaalsContact OE1-CE1 3.28Å
7	G	59.5	Low	74.9	Confident	59 Å²	59	73.2 Å²	73.2	61%	0.608	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-49.6	130.4	178.7	0	0	0	0	0	111.1	Y65	G7-Y65 PolarHBondContact O-OH 3.39Å
8	T	76	Confident	76.1	Confident	132 Å²	132	69.2 Å²	69.2	81%	0.81	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-65.2	132.9	173.3	49.3	0	0	0	0	108.9	Q6	Q6-T8 PolarHBondContact O-N 3.14Å
9	V	90.5	Very high	77.1	Confident	34 Å²	34	65.6 Å²	65.6	21%	0.206	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-87.4	158.1	173.3	-68.7	0	0	0	0	111	Y11 R63	V9-Y11 VanDerWaalsContact C-N 3.33Å; V9-Y11 HydrophobicContact CB-CD1 4.03Å; V9-Y11 HydrophobicContact CB-CD2 4.35Å; V9-Y11 HydrophobicContact CB-CE1 3.72Å; V9-Y11 HydrophobicContact CB-CE2 4.08Å; V9-Y11 HydrophobicContact CB-CG 4.33Å; V9-Y11 HydrophobicContact CG1-CE1 3.89Å; V9-Y11 HydrophobicContact CG1-CE2 4.26Å; V9-Y11 HydrophobicContact CG2-CD2 4.09Å; V9-Y11 HydrophobicContact CG2-CE1 4.46Å; V9-Y11 HydrophobicContact CG2-CE2 3.95Å; V9-Y11 HydrophobicContact CG2-CG 4.41Å; V9-Y11 WeakPolarHBondContact CG2-O 3.39Å; V9-R63 HydrophobicContact CG2-CB 4.4Å
10	D	93	Very high	78	Confident	160 Å²	160	62.4 Å²	62.4	86%	0.856	36%	0.364	S	S	*	.	S	Bend	trans	-87.9	2.6	177.6	62.6	-27.2	0	0	0	113.7
11	Y	95	Very high	78.8	Confident	50 Å²	50	60.5 Å²	60.5	20%	0.196	35%	0.352	C	S	.	.	S	Bend	trans	-119.7	167.2	175.7	54.1	-95.3	0	0	0	111.5	V9 S13 D54 K61 R63	V9-Y11 VanDerWaalsContact C-N 3.33Å; V9-Y11 HydrophobicContact CB-CD1 4.03Å; V9-Y11 HydrophobicContact CB-CD2 4.35Å; V9-Y11 HydrophobicContact CB-CE1 3.72Å; V9-Y11 HydrophobicContact CB-CE2 4.08Å; V9-Y11 HydrophobicContact CB-CG 4.33Å; V9-Y11 HydrophobicContact CG1-CE1 3.89Å; V9-Y11 HydrophobicContact CG1-CE2 4.26Å; V9-Y11 HydrophobicContact CG2-CD2 4.09Å; V9-Y11 HydrophobicContact CG2-CE1 4.46Å; V9-Y11 HydrophobicContact CG2-CE2 3.95Å; V9-Y11 HydrophobicContact CG2-CG 4.41Å; V9-Y11 WeakPolarHBondContact CG2-O 3.39Å; Y11-S13 PolarHBondContact O-N 3.13Å; Y11-D54 VanDerWaalsContact OH-CG 3.25Å; Y11-D54 PolarHBondContact OH-OD1 3.32Å; Y11-D54 VanDerWaalsContact OH-OD1 3.12Å; Y11-D54 PolarHBondContact OH-OD2 3.08Å; Y11-K61 HydrophobicContact CD1-CB 4.31Å; Y11-K61 HydrophobicContact CD2-CB 3.82Å; Y11-K61 WeakPolarHBondContact CD2-O 3.33Å; Y11-K61 HydrophobicContact CE1-CB 4.49Å; Y11-K61 HydrophobicContact CE2-CB 3.98Å; Y11-K61 HydrophobicContact CG-CB 3.98Å; Y11-R63 HydrophobicContact CE2-CB 3.78Å; Y11-R63 PolarHBondContact OH-NH2 3.01Å
12	P	95.9	Very high	81.3	Confident	75 Å²	75	51.9 Å²	51.9	49%	0.487	31%	0.314	S	S	.	.			trans	-54.7	131.8	-176	-28	36.2	0	0	0	112.9	F14 I62 R63	P12-F14 HydrophobicContact CB-CE2 4.02Å; P12-F14 HydrophobicContact CB-CZ 4.17Å; P12-I62 HydrophobicContact CB-CG2 4.47Å; P12-I62 WeakPolarHBondContact O-CA 3.4Å; P12-R63 PolarHBondContact O-N 2.91Å
13	S	96.3	Very high	83.9	Confident	45 Å²	45	51.3 Å²	51.3	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.1	175.9	63.6	0	0	0	0	111.7	Y11 R63	Y11-S13 PolarHBondContact O-N 3.13Å; S13-R63 CarbonylContact C-O 3.59Å; S13-R63 WeakPolarHBondContact CA-O 3.49Å
14	F	97.2	Very high	86.1	Confident	29 Å²	29	48 Å²	48	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.5	-173.4	-55.8	-82.1	0	0	0	110.9	P12 L16 R63 F64 Y65 Q87 L171	P12-F14 HydrophobicContact CB-CE2 4.02Å; P12-F14 HydrophobicContact CB-CZ 4.17Å; F14-L16 PolarHBondContact O-N 3.23Å; F14-R63 PolarHBondContact N-O 2.87Å; F14-F64 HydrophobicContact CB-CD1 3.95Å; F14-F64 HydrophobicContact CB-CE1 4.08Å; F14-F64 HydrophobicContact CD2-CE1 4.35Å; F14-F64 CarbonylContact O-C 3.58Å; F14-F64 WeakPolarHBondContact O-CA 3.46Å; F14-Y65 PolarHBondContact O-N 3.37Å; F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; F14-Q87 HydrophobicContact CB-CB 4.49Å; F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.21Å; F14-L171 HydrophobicContact CD1-CD1 3.86Å; F14-L171 HydrophobicContact CD1-CD2 3.98Å; F14-L171 HydrophobicContact CD1-CG 4.25Å; F14-L171 HydrophobicContact CD2-CD1 4.08Å; F14-L171 HydrophobicContact CE1-CB 3.87Å; F14-L171 HydrophobicContact CE1-CD1 4.36Å; F14-L171 HydrophobicContact CE1-CD2 4.25Å; F14-L171 HydrophobicContact CE1-CG 4.39Å; F14-L171 HydrophobicContact CE2-CB 4.4Å; F14-L171 HydrophobicContact CG-CD1 3.71Å; F14-L171 HydrophobicContact CZ-CB 3.97Å
15	K	96.8	Very high	88.7	Confident	18 Å²	18	42.7 Å²	42.7	8%	0.078	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	114.5	167.7	179.9	169.4	170.6	174.4	0	109.5	W67 Y82 I84 Q87 C88	K15-W67 HydrophobicContact CD-CD2 4.4Å; K15-W67 HydrophobicContact CD-CZ2 4.35Å; K15-W67 HydrophobicContact CG-CG 4.41Å; K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.03Å; K15-Y82 PolarHBondContact NZ-O 2.95Å; K15-I84 PolarHBondContact NZ-O 2.89Å; K15-Q87 PolarHBondContact O-N 3.48Å; K15-C88 PolarHBondContact O-N 3.38Å
16	L	98.1	Very high	90.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124	171.8	-176.3	150.9	0	0	0	109.1	F14 I18 F64 Y65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.23Å; L16-I18 HydrophobicContact CD2-CB 4.18Å; L16-F64 HydrophobicContact CB-CB 4.24Å; L16-F64 HydrophobicContact CB-CD1 3.95Å; L16-F64 HydrophobicContact CB-CG 4.47Å; L16-F64 HydrophobicContact CD1-CB 4.49Å; L16-F64 HydrophobicContact CD1-CD1 3.91Å; L16-F64 HydrophobicContact CD1-CE1 4.35Å; L16-F64 HydrophobicContact CD1-CG 4.22Å; L16-Y65 PolarHBondContact N-O 3.45Å; L16-C66 HydrophobicContact CD2-CB 4.35Å; L16-C66 CarbonylContact O-C 3.48Å; L16-C66 WeakPolarHBondContact O-CA 3.42Å; L16-W67 PolarHBondContact O-N 2.9Å; L16-C88 WeakPolarHBondContact CA-O 3.36Å; L16-I90 HydrophobicContact CD1-CD1 4.06Å; L16-I90 HydrophobicContact CD1-CG1 4.31Å; L16-I90 HydrophobicContact CD2-CD1 4.28Å; L16-I90 HydrophobicContact CD2-CG1 4.36Å; L16-F164 HydrophobicContact CD1-CD1 4.04Å; L16-F164 HydrophobicContact CD1-CE1 3.75Å; L16-L167 HydrophobicContact CD1-CD1 3.56Å; L16-L167 HydrophobicContact CG-CD1 4.43Å
17	V	96.6	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.9	173.1	-171.7	0	0	0	0	108.8	V19 T69 Y83 C88 A89 I90 L111	V17-V19 HydrophobicContact CG1-CG1 3.68Å; V17-T69 HydrophobicContact CG1-CG2 4.13Å; V17-Y83 HydrophobicContact CG1-CD1 3.65Å; V17-Y83 HydrophobicContact CG1-CE1 3.9Å; V17-C88 PolarHBondContact N-O 2.83Å; V17-A89 HydrophobicContact CB-CB 4.41Å; V17-A89 CarbonylContact O-C 3.56Å; V17-A89 WeakPolarHBondContact O-CA 3.41Å; V17-A89 VanDerWaalsContact O-CB 3.31Å; V17-A89 WeakPolarHBondContact O-CB 3.29Å; V17-I90 PolarHBondContact O-N 3.2Å; V17-L111 HydrophobicContact CB-CD1 4.49Å
18	I	96.7	Very high	94.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	171.1	-169.2	170	0	0	0	110	L16 K26 F29 V30 W67 D68 T69 I90 M92	L16-I18 HydrophobicContact CD2-CB 4.18Å; I18-K26 HydrophobicContact CD1-CB 3.91Å; I18-K26 HydrophobicContact CD1-CG 4.11Å; I18-K26 HydrophobicContact CG1-CB 4.11Å; I18-K26 HydrophobicContact CG1-CD 4.05Å; I18-K26 HydrophobicContact CG1-CG 3.96Å; I18-K26 HydrophobicContact CG2-CB 4.42Å; I18-F29 HydrophobicContact CD1-CD1 4.01Å; I18-V30 HydrophobicContact CD1-CG2 4.17Å; I18-V30 HydrophobicContact CG2-CG2 4.16Å; I18-W67 WeakPolarHBondContact CG2-O 3.16Å; I18-W67 PolarHBondContact N-O 2.74Å; I18-D68 VanDerWaalsContact CG2-CA 3.46Å; I18-D68 HydrophobicContact CG2-CB 4.06Å; I18-T69 PolarHBondContact O-N 3.39Å; I18-T69 PolarHBondContact O-OG1 3.36Å; I18-I90 WeakPolarHBondContact CA-O 3.3Å; I18-I90 HydrophobicContact CB-CB 4.46Å; I18-I90 HydrophobicContact CD1-CB 4.38Å; I18-I90 HydrophobicContact CD1-CG2 4.16Å; I18-I90 HydrophobicContact CG1-CB 4.03Å; I18-I90 HydrophobicContact CG1-CG2 4.08Å; I18-M92 HydrophobicContact CD1-CE 3.82Å
19	V	95.5	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.8	-175.2	-58.5	0	0	0	0	111.1	V17 K26 Y83 I90 I91 M92 W107	V17-V19 HydrophobicContact CG1-CG1 3.68Å; V19-K26 VanDerWaalsContact C-CD 3.49Å; V19-Y83 HydrophobicContact CG1-CD1 4.44Å; V19-Y83 HydrophobicContact CG1-CE1 3.51Å; V19-I90 PolarHBondContact N-O 3.28Å; V19-I91 HydrophobicContact CG2-CB 4.23Å; V19-I91 HydrophobicContact CG2-CG1 3.73Å; V19-I91 HydrophobicContact CG2-CG2 4.29Å; V19-M92 PolarHBondContact O-N 2.84Å; V19-W107 HydrophobicContact CB-CD2 4.4Å; V19-W107 HydrophobicContact CB-CE3 3.77Å; V19-W107 HydrophobicContact CB-CZ3 4.12Å; V19-W107 HydrophobicContact CG1-CE3 4.45Å; V19-W107 HydrophobicContact CG2-CB 4.26Å; V19-W107 HydrophobicContact CG2-CE3 4.35Å
20	G	95.6	Very high	95.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	15%	0.149	C	C	.	.			trans	136.3	167.2	-177.4	0	0	0	0	0	111.5	K26 G71 M92 W107	G20-K26 PolarHBondContact O-NZ 3.05Å; G20-G71 WeakPolarHBondContact O-CA 3.38Å; G20-M92 WeakPolarHBondContact CA-O 3.34Å; G20-W107 VanDerWaalsContact O-CZ2 3.25Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å
21	D	94.7	Very high	95.8	Very high	23 Å²	23	19.6 Å²	19.6	12%	0.123	12%	0.119	C	C	.	.			trans	-56.2	158.9	-176	-79.3	17.8	0	0	0	113.4	T24 K26 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.84Å; D21-T24 WeakPolarHBondContact O-CG2 3.37Å; D21-T24 PolarHBondContact O-N 3.46Å; D21-T24 PolarHBondContact O-OG1 3.03Å; D21-K26 PolarHBondContact O-NZ 2.66Å; D21-T100 HydrophobicContact CB-CG2 3.75Å; D21-T100 WeakPolarHBondContact OD2-CA 3.44Å; D21-N103 WeakPolarHBondContact OD1-CB 3.46Å; D21-N103 PolarHBondContact OD1-ND2 3.37Å; D21-N103 PolarHBondContact OD2-ND2 3.06Å; D21-W107 PolarHBondContact OD1-NE1 2.98Å
22	G	93.3	Very high	95.7	Very high	18 Å²	18	17.3 Å²	17.3	19%	0.186	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	141.7	171.9	0	0	0	0	0	111.2	T24 G71	G22-T24 VanDerWaalsContact C-N 3.28Å; G22-T24 PolarHBondContact O-N 3.23Å; G22-G71 PolarHBondContact N-O 3.02Å; G22-G71 VanDerWaalsContact N-O 3.1Å
23	G	93.7	Very high	95.6	Very high	26 Å²	26	14.4 Å²	14.4	27%	0.268	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.3	179	0	0	0	0	0	115.9	G25 Y42 K126	G23-G25 PolarHBondContact O-N 3.45Å; G23-Y42 PolarHBondContact N-OH 2.87Å; G23-K126 WeakPolarHBondContact O-CE 3.39Å; G23-K126 PolarHBondContact O-NZ 3.46Å
24	T	96.3	Very high	95.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-68.5	-20.2	175.6	56.3	0	0	0	0	113.4	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.84Å; D21-T24 WeakPolarHBondContact O-CG2 3.37Å; D21-T24 PolarHBondContact O-N 3.46Å; D21-T24 PolarHBondContact O-OG1 3.03Å; G22-T24 VanDerWaalsContact C-N 3.28Å; G22-T24 PolarHBondContact O-N 3.23Å; T24-D94 HydrophobicContact CG2-CB 4.29Å; T24-T100 HydrophobicContact CG2-CG2 3.84Å; T24-N125 PolarHBondContact O-ND2 3.32Å
25	G	96.2	Very high	95.1	Very high	13 Å²	13	18.3 Å²	18.3	13%	0.134	11%	0.111	C	C	.	.	S	Bend	trans	105.2	18.5	175.8	0	0	0	0	0	115.4	G23 T28 F29 M92	G23-G25 PolarHBondContact O-N 3.45Å; G25-T28 PolarHBondContact O-N 3.39Å; G25-F29 VanDerWaalsContact O-CB 3.3Å; G25-F29 WeakPolarHBondContact O-CB 3.47Å; G25-F29 PolarHBondContact O-N 3.01Å; G25-M92 VanDerWaalsContact C-SD 3.53Å
26	K	96.2	Very high	94.8	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-52.8	-55.7	178.6	-58.6	-176	-58.7	-71.4	0	112.6	I18 V19 G20 D21 T28 F29 V30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.91Å; I18-K26 HydrophobicContact CD1-CG 4.11Å; I18-K26 HydrophobicContact CG1-CB 4.11Å; I18-K26 HydrophobicContact CG1-CD 4.05Å; I18-K26 HydrophobicContact CG1-CG 3.96Å; I18-K26 HydrophobicContact CG2-CB 4.42Å; V19-K26 VanDerWaalsContact C-CD 3.49Å; G20-K26 PolarHBondContact O-NZ 3.05Å; D21-K26 PolarHBondContact O-NZ 2.66Å; K26-T28 PolarHBondContact O-N 2.98Å; K26-F29 WeakPolarHBondContact O-CB 3.31Å; K26-F29 PolarHBondContact O-N 2.88Å; K26-F29 VanDerWaalsContact O-N 3.14Å; K26-V30 WeakPolarHBondContact O-CG2 3.44Å; K26-V30 PolarHBondContact O-N 3.23Å; K26-D68 VanDerWaalsContact CB-OD1 3.28Å; K26-D68 WeakPolarHBondContact CB-OD1 3.39Å; K26-T69 WeakPolarHBondContact CE-O 3.22Å; K26-M92 HydrophobicContact CG-CB 4.07Å; K26-M92 HydrophobicContact CG-SD 4.01Å; K26-M92 PolarHBondContact N-SD 2.83Å; K26-M92 VanDerWaalsContact N-SD 3.42Å
27	T	95	Very high	94.3	Very high	22 Å²	22	22 Å²	22	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-45.2	179.1	-46.4	0	0	0	0	112	F29 V30 K31 T45 D68	T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.35Å; T27-V30 PolarHBondContact O-N 3.24Å; T27-K31 HydrophobicContact CG2-CD 3.92Å; T27-K31 HydrophobicContact CG2-CG 4.24Å; T27-K31 VanDerWaalsContact O-CB 3.31Å; T27-K31 WeakPolarHBondContact O-CB 3.32Å; T27-K31 WeakPolarHBondContact O-CG 3.32Å; T27-K31 PolarHBondContact O-N 3.39Å; T27-T45 PolarHBondContact OG1-OG1 3.29Å; T27-D68 VanDerWaalsContact CA-OD2 3.25Å; T27-D68 WeakPolarHBondContact CA-OD2 3.44Å; T27-D68 VanDerWaalsContact CB-OD2 3.23Å; T27-D68 WeakPolarHBondContact CB-OD2 3.5Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.44Å; T27-D68 PolarHBondContact OG1-OD2 3.13Å
28	T	95.8	Very high	93.9	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.153	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-41.2	176.3	-50	0	0	0	0	111.6	G25 K26 R32 F38 E39 A154	G25-T28 PolarHBondContact O-N 3.39Å; K26-T28 PolarHBondContact O-N 2.98Å; T28-R32 WeakPolarHBondContact O-CB 3.22Å; T28-R32 PolarHBondContact O-N 2.89Å; T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.41Å; T28-F38 VanDerWaalsContact CG2-CE2 3.41Å; T28-F38 HydrophobicContact CG2-CG 4.46Å; T28-F38 HydrophobicContact CG2-CZ 4.2Å; T28-E39 HydrophobicContact CG2-CB 4.45Å; T28-A154 HydrophobicContact CG2-CB 4.28Å
29	F	96.4	Very high	93.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-43.4	178	178.1	-101.5	0	0	0	112.2	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 3.47Å; G25-F29 PolarHBondContact O-N 3.01Å; K26-F29 WeakPolarHBondContact O-CB 3.31Å; K26-F29 PolarHBondContact O-N 2.88Å; K26-F29 VanDerWaalsContact O-N 3.14Å; T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.35Å; F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.5Å; F29-H33 PolarHBondContact O-N 3.41Å; F29-H33 PolarHBondContact O-ND1 3.42Å; F29-I90 HydrophobicContact CE1-CD1 4.04Å; F29-M92 HydrophobicContact CB-CE 3.67Å; F29-M92 HydrophobicContact CD1-CE 3.82Å; F29-M92 HydrophobicContact CD2-CE 4.3Å; F29-M92 HydrophobicContact CG-CE 3.67Å; F29-I152 HydrophobicContact CD2-CD1 3.77Å; F29-I152 HydrophobicContact CE2-CD1 3.68Å; F29-I152 HydrophobicContact CG-CD1 4.5Å; F29-I152 HydrophobicContact CZ-CD1 4.32Å; F29-A154 HydrophobicContact CB-CB 4.26Å; F29-A154 HydrophobicContact CD2-CB 4.47Å; F29-F160 AromaticContact CD2-CD2 3.69Å; F29-F160 HydrophobicContact CD2-CD2 3.69Å; F29-F160 AromaticContact CD2-CE2 3.35Å; F29-F160 HydrophobicContact CD2-CE2 3.35Å; F29-F160 HydrophobicContact CD2-CZ 4.23Å; F29-F160 AromaticContact CE2-CD2 3.6Å; F29-F160 HydrophobicContact CE2-CD2 3.6Å; F29-F160 AromaticContact CE2-CE2 3.7Å; F29-F160 HydrophobicContact CE2-CE2 3.7Å; F29-F160 HydrophobicContact CE2-CG 4.32Å; F29-F160 HydrophobicContact CE2-CZ 4.5Å; F29-F160 HydrophobicContact CG-CE2 4.22Å; F29-F160 VanDerWaalsContact O-CZ 3.3Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; 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 3.36Å; F29-F164 HydrophobicContact CE1-CE2 3.36Å; F29-F164 AromaticContact CE1-CZ 3.79Å; F29-F164 HydrophobicContact CE1-CZ 3.79Å; F29-F164 HydrophobicContact CZ-CD2 4.17Å; F29-F164 AromaticContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CZ 4.38Å
30	V	95.7	Very high	93	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-52	177.8	173.9	0	0	0	0	111.2	I18 K26 T27 R32 H33 L34 H51 L53 C66	I18-V30 HydrophobicContact CD1-CG2 4.17Å; I18-V30 HydrophobicContact CG2-CG2 4.16Å; K26-V30 WeakPolarHBondContact O-CG2 3.44Å; K26-V30 PolarHBondContact O-N 3.23Å; T27-V30 PolarHBondContact O-N 3.24Å; V30-R32 PolarHBondContact O-N 3.12Å; V30-H33 WeakPolarHBondContact O-CB 3.32Å; V30-H33 PolarHBondContact O-N 3.22Å; V30-L34 PolarHBondContact O-N 3.32Å; V30-L34 VanDerWaalsContact O-N 3.11Å; V30-H51 HydrophobicContact CG1-CB 3.54Å; V30-L53 HydrophobicContact CG1-CD1 4.47Å; V30-C66 HydrophobicContact CG1-CB 4.16Å; V30-C66 HydrophobicContact CG2-CB 4.42Å
31	K	93.7	Very high	92.7	Very high	56 Å²	56	41.9 Å²	41.9	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-36.7	-179.8	-73.7	-172.9	177.8	178.3	0	111.7	T27 H33 L34 T35	T27-K31 HydrophobicContact CG2-CD 3.92Å; T27-K31 HydrophobicContact CG2-CG 4.24Å; T27-K31 VanDerWaalsContact O-CB 3.31Å; T27-K31 WeakPolarHBondContact O-CB 3.32Å; T27-K31 WeakPolarHBondContact O-CG 3.32Å; T27-K31 PolarHBondContact O-N 3.39Å; K31-H33 VanDerWaalsContact C-N 3.33Å; K31-H33 PolarHBondContact O-N 3.5Å; K31-L34 WeakPolarHBondContact O-CB 3.45Å; K31-L34 PolarHBondContact O-N 2.82Å; K31-T35 PolarHBondContact O-N 2.82Å; K31-T35 PolarHBondContact O-OG1 3.07Å; K31-T35 VanDerWaalsContact O-OG1 3.08Å
32	R	93.6	Very high	92.3	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-29.2	177.4	-174.4	168.4	-161.2	170.6	2.5	113.3	T28 V30 L34 G36 E37 A154 K155 N157 F160 L185 K186 P187	T28-R32 WeakPolarHBondContact O-CB 3.22Å; T28-R32 PolarHBondContact O-N 2.89Å; V30-R32 PolarHBondContact O-N 3.12Å; R32-L34 VanDerWaalsContact C-N 3.33Å; R32-G36 WeakPolarHBondContact O-CA 3.45Å; R32-G36 PolarHBondContact O-N 3.31Å; R32-E37 WeakPolarHBondContact CA-O 3.43Å; R32-E37 VanDerWaalsContact CB-O 3.25Å; R32-E37 WeakPolarHBondContact CB-O 3.49Å; R32-E37 WeakPolarHBondContact CG-O 3.46Å; R32-A154 WeakPolarHBondContact CD-O 3.43Å; R32-A154 PolarHBondContact NH1-O 2.7Å; R32-K155 PolarHBondContact NH1-O 3.17Å; R32-N157 PolarHBondContact NE-OD1 2.81Å; R32-N157 PolarHBondContact NH1-OD1 3.42Å; R32-N157 PolarHBondContact NH2-ND2 3.44Å; R32-N157 PolarHBondContact NH2-OD1 3.42Å; R32-N157 VanDerWaalsContact NH2-OD1 3.16Å; R32-F160 HydrophobicContact CB-CE1 4.41Å; R32-F160 HydrophobicContact CB-CE2 4.32Å; R32-F160 HydrophobicContact CB-CZ 3.61Å; R32-F160 HydrophobicContact CG-CE1 4.14Å; R32-F160 HydrophobicContact CG-CE2 4.36Å; R32-F160 HydrophobicContact CG-CZ 3.66Å; R32-L185 HydrophobicContact CG-CD2 4.14Å; R32-L185 WeakPolarHBondContact O-CD2 3.38Å; R32-K186 PolarHBondContact NH2-O 3.42Å; R32-P187 PolarHBondContact NH2-O 3.04Å
33	H	94.3	Very high	92	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.065	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-32.2	167.8	-79.5	87.3	0	0	0	112.4	F29 V30 K31 L53 F55 F160 F164 V183	F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.5Å; F29-H33 PolarHBondContact O-N 3.41Å; F29-H33 PolarHBondContact O-ND1 3.42Å; V30-H33 WeakPolarHBondContact O-CB 3.32Å; V30-H33 PolarHBondContact O-N 3.22Å; K31-H33 VanDerWaalsContact C-N 3.33Å; K31-H33 PolarHBondContact O-N 3.5Å; H33-L53 HydrophobicContact CB-CD1 3.67Å; H33-L53 HydrophobicContact CB-CD2 3.92Å; H33-L53 HydrophobicContact CB-CG 4.42Å; H33-F55 AromaticContact CD2-CE1 4Å; H33-F55 AromaticContact CD2-CZ 3.82Å; H33-F160 HydrophobicContact CB-CE1 4.22Å; H33-F160 AromaticContact CD2-CD1 3.84Å; H33-F160 AromaticContact CD2-CE1 3.56Å; H33-F160 AromaticContact CE1-CD1 3.11Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.23Å; H33-F160 AromaticContact CE1-CD2 3.77Å; H33-F160 AromaticContact CE1-CE1 2.93Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.45Å; H33-F160 AromaticContact CE1-CE2 3.6Å; H33-F160 AromaticContact CE1-CG 3.52Å; H33-F160 AromaticContact CE1-CZ 3.16Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.47Å; H33-F160 PolarHBondContact CE1-O 3.04Å; H33-F160 AromaticContact CG-CE1 3.36Å; H33-F160 AromaticContact CG-CZ 3.76Å; H33-F160 AromaticContact ND1-CD1 3.72Å; H33-F160 AromaticContact ND1-CE1 3Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.34Å; H33-F160 AromaticContact ND1-CE2 3.76Å; H33-F160 AromaticContact ND1-CZ 3Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.07Å; H33-F160 AromaticContact NE2-CD1 3.21Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.28Å; H33-F160 AromaticContact NE2-CE1 3.31Å; H33-F160 VanDerWaalsContact NE2-CE1 3.31Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.39Å; H33-F160 AromaticContact NE2-CG 3.88Å; H33-F160 PolarHBondContact NE2-O 2.58Å; H33-F164 AromaticContact CD2-CE2 3.78Å; H33-F164 AromaticContact CE1-CD2 3.8Å; H33-F164 AromaticContact CE1-CE2 3.29Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.36Å; H33-F164 AromaticContact CG-CE2 3.93Å; H33-F164 AromaticContact ND1-CE2 3.6Å; H33-F164 AromaticContact NE2-CD2 3.46Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.25Å; H33-F164 AromaticContact NE2-CE2 3.39Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.2Å; H33-V183 WeakPolarHBondContact O-CG1 3.15Å
34	L	92.2	Very high	91.7	Very high	82 Å²	82	53.4 Å²	53.4	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-77.5	-44.4	-177.7	-176.6	63.4	0	0	0	112.9	V30 K31 R32 L53	V30-L34 PolarHBondContact O-N 3.32Å; V30-L34 VanDerWaalsContact O-N 3.11Å; K31-L34 WeakPolarHBondContact O-CB 3.45Å; K31-L34 PolarHBondContact O-N 2.82Å; R32-L34 VanDerWaalsContact C-N 3.33Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.13Å
35	T	91.2	Very high	91	Very high	74 Å²	74	54.2 Å²	54.2	45%	0.454	27%	0.265	S	S	.	.	H	α-helix	trans	-116	-11.3	-169.9	69	0	0	0	0	113.6	K31 E37	K31-T35 PolarHBondContact O-N 2.82Å; K31-T35 PolarHBondContact O-OG1 3.07Å; K31-T35 VanDerWaalsContact O-OG1 3.08Å; T35-E37 PolarHBondContact O-N 2.93Å; T35-E37 WeakPolarHBondContact OG1-CB 3.36Å; T35-E37 PolarHBondContact OG1-N 2.93Å; T35-E37 VanDerWaalsContact OG1-N 3.16Å
36	G	89.8	Confident	90.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	74.4	-9.2	-169.8	0	0	0	0	0	114.4	R32 A184 K186	R32-G36 WeakPolarHBondContact O-CA 3.45Å; R32-G36 PolarHBondContact O-N 3.31Å; G36-A184 WeakPolarHBondContact CA-O 3.49Å; G36-K186 VanDerWaalsContact O-CB 3.28Å; G36-K186 WeakPolarHBondContact O-CB 3.3Å; G36-K186 PolarHBondContact O-N 3.02Å
37	E	88.8	Confident	89.9	Confident	97 Å²	97	61.3 Å²	61.3	45%	0.453	30%	0.301	S	S	.	.			trans	-86.3	145.2	-174.4	-57.6	-166.4	157.9	0	0	112.7	R32 T35 K186	R32-E37 WeakPolarHBondContact CA-O 3.43Å; R32-E37 VanDerWaalsContact CB-O 3.25Å; R32-E37 WeakPolarHBondContact CB-O 3.49Å; R32-E37 WeakPolarHBondContact CG-O 3.46Å; T35-E37 PolarHBondContact O-N 2.93Å; T35-E37 WeakPolarHBondContact OG1-CB 3.36Å; T35-E37 PolarHBondContact OG1-N 2.93Å; T35-E37 VanDerWaalsContact OG1-N 3.16Å; E37-K186 HydrophobicContact CG-CD 3.93Å; E37-K186 WeakPolarHBondContact OE1-CE 3.34Å; E37-K186 IonicContact OE1-NZ 2.57Å; E37-K186 PolarHBondContact OE1-NZ 3.32Å
38	F	87.5	Confident	89.7	Confident	47 Å²	47	62 Å²	62	21%	0.206	31%	0.305	C	S	.	.			trans	-92	115.5	170.2	-176.7	-100.5	0	0	0	110.3	T28 K40 A154 K155 E189	T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.41Å; T28-F38 VanDerWaalsContact CG2-CE2 3.41Å; T28-F38 HydrophobicContact CG2-CG 4.46Å; T28-F38 HydrophobicContact CG2-CZ 4.2Å; F38-K40 HydrophobicContact CD1-CG 3.92Å; F38-K40 HydrophobicContact CE1-CG 4.11Å; F38-K40 PolarHBondContact O-N 2.95Å; F38-A154 WeakPolarHBondContact CD2-O 3.48Å; F38-K155 HydrophobicContact CD1-CG 4.4Å; F38-K155 HydrophobicContact CD2-CB 4.21Å; F38-K155 HydrophobicContact CD2-CG 4.2Å; F38-K155 HydrophobicContact CE1-CD 4.24Å; F38-K155 HydrophobicContact CE1-CG 3.96Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.59Å; F38-K155 HydrophobicContact CE2-CG 3.74Å; F38-K155 HydrophobicContact CG-CG 4.5Å; F38-K155 HydrophobicContact CZ-CB 3.86Å; F38-K155 HydrophobicContact CZ-CD 3.97Å; F38-K155 HydrophobicContact CZ-CG 3.6Å; F38-E189 HydrophobicContact CB-CG 4.11Å; F38-E189 HydrophobicContact CD1-CG 3.99Å; F38-E189 WeakPolarHBondContact CD1-OE1 3.46Å; F38-E189 WeakPolarHBondContact CD1-OE2 3.45Å; F38-E189 HydrophobicContact CG-CG 4.2Å
39	E	86.7	Confident	89.5	Confident	82 Å²	82	64.2 Å²	64.2	38%	0.383	31%	0.314	S	S	.	.			trans	-76.7	110.8	173.8	-175	58.6	-109	0	0	110.2	T28 K41	T28-E39 HydrophobicContact CG2-CB 4.45Å; E39-K41 WeakPolarHBondContact CG-O 3.45Å; E39-K41 PolarHBondContact OE1-N 2.94Å
40	K	86.8	Confident	89.4	Confident	159 Å²	159	65 Å²	65	69%	0.691	32%	0.319	S	S	*	.			trans	-79	-31.1	-179.7	-67.9	-178.2	-178.2	178.3	0	112.6	F38 E189	F38-K40 HydrophobicContact CD1-CG 3.92Å; F38-K40 HydrophobicContact CE1-CG 4.11Å; F38-K40 PolarHBondContact O-N 2.95Å; K40-E189 WeakPolarHBondContact CE-OE1 3.45Å; K40-E189 VanDerWaalsContact CE-OE2 3.28Å; K40-E189 WeakPolarHBondContact CE-OE2 3.23Å; K40-E189 IonicContact NZ-OE1 3.68Å
41	K	88.3	Confident	89.4	Confident	131 Å²	131	66.1 Å²	66.1	57%	0.57	32%	0.323	S	S	*	.	S	Bend	trans	-87.1	127.3	-174.1	-170	-177.4	175.4	-162.6	0	109.2	E39 E43	E39-K41 WeakPolarHBondContact CG-O 3.45Å; E39-K41 PolarHBondContact OE1-N 2.94Å; K41-E43 HydrophobicContact CD-CG 4.04Å; K41-E43 WeakPolarHBondContact CD-OE1 3.5Å; K41-E43 VanDerWaalsContact CE-OE1 3.25Å; K41-E43 WeakPolarHBondContact CE-OE1 3.27Å; K41-E43 HydrophobicContact CG-CG 4.14Å; K41-E43 IonicContact NZ-OE1 2.68Å; K41-E43 PolarHBondContact NZ-OE1 3Å; K41-E43 PolarHBondContact O-N 2.9Å
42	Y	86.9	Confident	89.5	Confident	126 Å²	126	65.4 Å²	65.4	49%	0.494	32%	0.324	S	S	.	.			trans	-80.3	107.2	170.6	177.9	-114.8	0	0	0	109.6	G23 P44	G23-Y42 PolarHBondContact N-OH 2.87Å; Y42-P44 HydrophobicContact CD1-CG 4.43Å; Y42-P44 HydrophobicContact CE1-CB 4.49Å; Y42-P44 HydrophobicContact CE1-CG 3.73Å
43	E	86.8	Confident	89.6	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	33%	0.325	S	S	.	.			trans	-110.3	116	166.4	-63.3	-170.1	163.1	0	0	107.8	K41 T45	K41-E43 HydrophobicContact CD-CG 4.04Å; K41-E43 WeakPolarHBondContact CD-OE1 3.5Å; K41-E43 VanDerWaalsContact CE-OE1 3.25Å; K41-E43 WeakPolarHBondContact CE-OE1 3.27Å; K41-E43 HydrophobicContact CG-CG 4.14Å; K41-E43 IonicContact NZ-OE1 2.68Å; K41-E43 PolarHBondContact NZ-OE1 3Å; K41-E43 PolarHBondContact O-N 2.9Å; E43-T45 PolarHBondContact O-N 3.06Å
44	P	86.9	Confident	89.6	Confident	72 Å²	72	68.1 Å²	68.1	47%	0.468	34%	0.34	S	S	.	.			trans	-59.5	129.3	177.7	-20.6	30.1	0	0	0	111.1	Y42	Y42-P44 HydrophobicContact CD1-CG 4.43Å; Y42-P44 HydrophobicContact CE1-CB 4.49Å; Y42-P44 HydrophobicContact CE1-CG 3.73Å
45	T	83.3	Confident	89.8	Confident	18 Å²	18	64.7 Å²	64.7	11%	0.11	32%	0.321	C	S	.	.			trans	-57.4	140.7	168.4	-40.5	0	0	0	0	109.6	T27 E43 E49 A70	T27-T45 PolarHBondContact OG1-OG1 3.29Å; E43-T45 PolarHBondContact O-N 3.06Å; T45-E49 HydrophobicContact CG2-CG 4.19Å; T45-A70 WeakPolarHBondContact O-CB 3.39Å
46	I	84.3	Confident	90.1	Very high	159 Å²	159	62.5 Å²	62.5	82%	0.815	31%	0.308	S	S	*	.			trans	-109.7	110.2	173.7	-59.1	176.2	0	0	0	107.3	V48	I46-V48 PolarHBondContact O-N 3.12Å
47	G	84.8	Confident	90.4	Very high	11 Å²	11	62.8 Å²	62.8	11%	0.113	31%	0.309	C	S	.	.	S	Bend	trans	69.9	-109.8	-175.6	0	0	0	0	0	112.6	A70 Y82	G47-A70 PolarHBondContact O-N 2.93Å; G47-Y82 WeakPolarHBondContact CA-OH 3.46Å
48	V	89.8	Confident	90.8	Very high	37 Å²	37	61.4 Å²	61.4	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.7	-178.1	68.1	0	0	0	0	112.6	I46 V50 W67 D68 T69 Y82	I46-V48 PolarHBondContact O-N 3.12Å; V48-V50 HydrophobicContact CG2-CG2 4.33Å; V48-W67 HydrophobicContact CG1-CE3 4.34Å; V48-W67 HydrophobicContact CG1-CZ3 4.42Å; V48-W67 HydrophobicContact CG2-CB 3.94Å; V48-W67 HydrophobicContact CG2-CD2 4.34Å; V48-W67 HydrophobicContact CG2-CE3 3.85Å; V48-W67 HydrophobicContact CG2-CG 4.44Å; V48-D68 VanDerWaalsContact CA-O 3.3Å; V48-D68 WeakPolarHBondContact CA-O 3.14Å; V48-D68 WeakPolarHBondContact CG2-O 3.38Å; V48-T69 HydrophobicContact CG2-CG2 4.34Å; V48-Y82 HydrophobicContact CB-CD1 3.99Å; V48-Y82 HydrophobicContact CB-CD2 4.46Å; V48-Y82 HydrophobicContact CB-CE1 3.97Å; V48-Y82 HydrophobicContact CB-CE2 4.43Å; V48-Y82 HydrophobicContact CB-CG 4.26Å; V48-Y82 HydrophobicContact CG1-CD1 3.66Å; V48-Y82 HydrophobicContact CG1-CE1 3.48Å; V48-Y82 VanDerWaalsContact CG1-CE1 3.48Å; V48-Y82 HydrophobicContact CG1-CG 4.41Å
49	E	91.9	Very high	91.2	Very high	71 Å²	71	63.4 Å²	63.4	33%	0.332	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.1	164.2	-66	-175.1	179	0	0	109.6	T45 H51 D68	T45-E49 HydrophobicContact CG2-CG 4.19Å; E49-H51 WeakPolarHBondContact CB-NE2 3.28Å; E49-H51 IonicContact OE2-CE1 3.8Å; E49-H51 PolarHBondContact OE2-CE1 2.7Å; E49-H51 IonicContact OE2-NE2 2.57Å; E49-H51 PolarHBondContact OE2-NE2 2.71Å; E49-D68 PolarHBondContact N-O 2.94Å; E49-D68 PolarHBondContact O-N 2.91Å
50	V	94.3	Very high	91.7	Very high	17 Å²	17	61.1 Å²	61.1	10%	0.103	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.1	178.8	-176.6	0	0	0	0	110.6	L3 Q6 V48 C66 W67	L3-V50 HydrophobicContact CD1-CB 3.78Å; L3-V50 HydrophobicContact CD1-CG2 3.31Å; L3-V50 HydrophobicContact CG-CG2 4.06Å; Q6-V50 PolarHBondContact NE2-O 3.37Å; V48-V50 HydrophobicContact CG2-CG2 4.33Å; V50-C66 CarbonylContact C-O 3.56Å; V50-C66 VanDerWaalsContact CA-O 3.31Å; V50-C66 WeakPolarHBondContact CA-O 3.26Å; V50-W67 HydrophobicContact CG2-CD2 3.67Å; V50-W67 HydrophobicContact CG2-CE3 4.22Å; V50-W67 HydrophobicContact CG2-CG 3.83Å; V50-W67 HydrophobicContact CG2-CZ2 4.23Å
51	H	95.1	Very high	92.1	Very high	23 Å²	23	58.7 Å²	58.7	11%	0.106	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.8	-176.7	-62.9	-80.6	0	0	0	110.4	V30 E49 L53 C66	V30-H51 HydrophobicContact CG1-CB 3.54Å; E49-H51 WeakPolarHBondContact CB-NE2 3.28Å; E49-H51 IonicContact OE2-CE1 3.8Å; E49-H51 PolarHBondContact OE2-CE1 2.7Å; E49-H51 IonicContact OE2-NE2 2.57Å; E49-H51 PolarHBondContact OE2-NE2 2.71Å; H51-L53 PolarHBondContact O-N 2.93Å; H51-C66 PolarHBondContact N-O 2.87Å; H51-C66 WeakPolarHBondContact O-CB 3.47Å; H51-C66 PolarHBondContact O-N 3.37Å
52	P	95.7	Very high	92.5	Very high	41 Å²	41	53 Å²	53	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.9	171.8	30.1	-31.2	0	0	0	110	R63 Y65	P52-R63 HydrophobicContact CB-CG 4.37Å; P52-Y65 HydrophobicContact CB-CD1 4.13Å; P52-Y65 HydrophobicContact CB-CE1 4.1Å
53	L	95.6	Very high	93	Very high	5 Å²	5	49 Å²	49	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.8	175.6	-58.8	-175.8	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 3.67Å; H33-L53 HydrophobicContact CB-CD2 3.92Å; H33-L53 HydrophobicContact CB-CG 4.42Å; L34-L53 HydrophobicContact CB-CD2 3.79Å; L34-L53 HydrophobicContact CD1-CD2 4.13Å; H51-L53 PolarHBondContact O-N 2.93Å; L53-F55 HydrophobicContact CB-CE2 3.79Å; L53-F55 HydrophobicContact CB-CZ 4.42Å; L53-R63 CarbonylContact O-C 3.53Å; L53-R63 WeakPolarHBondContact O-CA 3.34Å; L53-F64 PolarHBondContact N-O 3.38Å; L53-F64 PolarHBondContact O-N 3.18Å; L53-C66 HydrophobicContact CD1-CB 4.43Å; L53-C66 VanDerWaalsContact CD1-SG 3.51Å; L53-F164 HydrophobicContact CD1-CE1 3.89Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å
54	D	94.7	Very high	93.5	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.5	178.3	-69.3	-16.4	0	0	0	111.2	Y11 I62 R63	Y11-D54 VanDerWaalsContact OH-CG 3.25Å; Y11-D54 PolarHBondContact OH-OD1 3.32Å; Y11-D54 VanDerWaalsContact OH-OD1 3.12Å; Y11-D54 PolarHBondContact OH-OD2 3.08Å; D54-I62 WeakPolarHBondContact CA-O 3.45Å; D54-R63 VanDerWaalsContact CG-NH2 3.28Å; D54-R63 WeakPolarHBondContact OD1-CB 3.44Å; D54-R63 IonicContact OD1-CZ 3.53Å; D54-R63 VanDerWaalsContact OD1-CZ 3.28Å; D54-R63 IonicContact OD1-NE 2.65Å; D54-R63 PolarHBondContact OD1-NE 3.46Å; D54-R63 IonicContact OD1-NH2 3.14Å; D54-R63 PolarHBondContact OD1-NH2 3.14Å; D54-R63 VanDerWaalsContact OD1-NH2 3.08Å; D54-R63 IonicContact OD2-CZ 3.96Å; D54-R63 IonicContact OD2-NE 2.79Å; D54-R63 IonicContact OD2-NH2 3.87Å; D54-R63 PolarHBondContact OD2-NH2 2.9Å
55	F	96.3	Very high	94	Very high	9 Å²	9	41 Å²	41	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128	173	-61.8	-94.9	0	0	0	109.3	H33 L53 K61 I62 F64 F164 F179 V183	H33-F55 AromaticContact CD2-CE1 4Å; H33-F55 AromaticContact CD2-CZ 3.82Å; L53-F55 HydrophobicContact CB-CE2 3.79Å; L53-F55 HydrophobicContact CB-CZ 4.42Å; F55-K61 WeakPolarHBondContact O-CA 3.38Å; F55-I62 HydrophobicContact CB-CD1 4.36Å; F55-I62 HydrophobicContact CB-CG1 3.89Å; F55-I62 PolarHBondContact N-O 2.8Å; F55-I62 PolarHBondContact O-N 3.32Å; F55-F64 AromaticContact CD2-CD2 3.76Å; F55-F64 HydrophobicContact CD2-CD2 3.76Å; F55-F64 HydrophobicContact CD2-CE2 4.18Å; F55-F64 AromaticContact CE2-CD2 3.71Å; F55-F64 HydrophobicContact CE2-CD2 3.71Å; F55-F64 HydrophobicContact CE2-CE2 4.33Å; F55-F164 HydrophobicContact CE1-CB 3.99Å; F55-F164 HydrophobicContact CE1-CD2 4.35Å; F55-F164 HydrophobicContact CE1-CG 4.1Å; F55-F164 HydrophobicContact CE2-CB 4.19Å; F55-F164 AromaticContact CE2-CD1 3.68Å; F55-F164 HydrophobicContact CE2-CD1 3.68Å; F55-F164 HydrophobicContact CE2-CE1 4.18Å; F55-F164 AromaticContact CE2-CG 3.92Å; F55-F164 HydrophobicContact CE2-CG 3.92Å; F55-F164 HydrophobicContact CZ-CB 3.74Å; F55-F164 AromaticContact CZ-CD1 3.64Å; F55-F164 HydrophobicContact CZ-CD1 3.64Å; F55-F164 AromaticContact CZ-CD2 3.77Å; F55-F164 HydrophobicContact CZ-CD2 3.77Å; F55-F164 HydrophobicContact CZ-CE1 4.13Å; F55-F164 HydrophobicContact CZ-CE2 4.27Å; F55-F164 AromaticContact CZ-CG 3.42Å; F55-F164 HydrophobicContact CZ-CG 3.42Å; F55-F164 VanDerWaalsContact CZ-CG 3.42Å; F55-F164 HydrophobicContact CZ-CZ 4.43Å; F55-F179 HydrophobicContact CB-CD1 3.96Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 3.99Å; F55-F179 HydrophobicContact CD1-CD1 4.42Å; F55-F179 AromaticContact CD1-CD2 3.98Å; F55-F179 HydrophobicContact CD1-CD2 3.98Å; F55-F179 HydrophobicContact CD1-CE1 4.02Å; F55-F179 AromaticContact CD1-CE2 3.5Å; F55-F179 HydrophobicContact CD1-CE2 3.5Å; F55-F179 HydrophobicContact CD1-CG 4.42Å; F55-F179 AromaticContact CD1-CZ 3.53Å; F55-F179 HydrophobicContact CD1-CZ 3.53Å; F55-F179 AromaticContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CZ 4.15Å; F55-F179 AromaticContact CG-CE1 3.98Å; F55-F179 HydrophobicContact CG-CE1 3.98Å; F55-F179 HydrophobicContact CG-CE2 4.25Å; F55-F179 AromaticContact CG-CZ 3.8Å; F55-F179 HydrophobicContact CG-CZ 3.8Å; F55-V183 HydrophobicContact CD1-CG2 4.25Å; F55-V183 HydrophobicContact CE1-CG2 3.85Å
56	T	96.9	Very high	94.6	Very high	28 Å²	28	40.1 Å²	40.1	17%	0.172	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.2	173.7	-49.9	0	0	0	0	108.8	K61 F179 V180 E181	T56-K61 HydrophobicContact CG2-CG 4.46Å; T56-F179 WeakPolarHBondContact O-CA 2.96Å; T56-V180 HydrophobicContact CG2-CG2 3.49Å; T56-V180 VanDerWaalsContact CG2-CG2 3.49Å; T56-V180 WeakPolarHBondContact O-CG2 3.35Å; T56-V180 PolarHBondContact O-N 3.44Å; T56-E181 VanDerWaalsContact CB-OE2 3.27Å; T56-E181 WeakPolarHBondContact CB-OE2 3.01Å; T56-E181 PolarHBondContact OG1-OE2 3.13Å
57	T	97.5	Very high	95.2	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	169	178.7	81.7	0	0	0	0	111.2	C59 G60 I62 L177 H178 F179	T57-C59 PolarHBondContact O-N 3.31Å; T57-C59 VanDerWaalsContact O-N 3.13Å; T57-C59 PolarHBondContact OG1-N 2.98Å; T57-G60 WeakPolarHBondContact CA-O 3.28Å; T57-G60 WeakPolarHBondContact CB-O 3.5Å; T57-G60 PolarHBondContact N-O 3.08Å; T57-G60 PolarHBondContact O-N 3.15Å; T57-G60 VanDerWaalsContact O-N 3.13Å; T57-G60 PolarHBondContact OG1-N 3.32Å; T57-G60 PolarHBondContact OG1-O 3.41Å; T57-I62 HydrophobicContact CG2-CD1 3.97Å; T57-I62 HydrophobicContact CG2-CG1 3.99Å; T57-I62 HydrophobicContact CG2-CG2 4.23Å; T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.86Å; T57-L177 HydrophobicContact CG2-CG 4.17Å; T57-H178 CarbonylContact C-O 3.57Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.34Å; T57-F179 HydrophobicContact CG2-CD1 4.02Å; T57-F179 HydrophobicContact CG2-CE1 4.18Å
58	N	97.6	Very high	95.6	Very high	69 Å²	69	33.1 Å²	33.1	37%	0.369	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.2	170	65.4	-58.3	0	0	0	114	L177 H178 V180	N58-L177 WeakPolarHBondContact OD1-CA 3.31Å; N58-H178 VanDerWaalsContact CB-CE1 3.46Å; N58-H178 WeakPolarHBondContact CB-CE1 3.18Å; N58-H178 PolarHBondContact N-O 3.45Å; N58-H178 PolarHBondContact OD1-N 2.78Å; N58-H178 PolarHBondContact OD1-O 3.42Å; N58-V180 HydrophobicContact CB-CG1 3.95Å
59	C	95.5	Very high	95.7	Very high	88 Å²	88	31.4 Å²	31.4	60%	0.595	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	7.4	177.4	-58.6	0	0	0	0	112.9	T57	T57-C59 PolarHBondContact O-N 3.31Å; T57-C59 VanDerWaalsContact O-N 3.13Å; T57-C59 PolarHBondContact OG1-N 2.98Å
60	G	96.2	Very high	95.4	Very high	35 Å²	35	28.1 Å²	28.1	36%	0.361	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.3	-174.2	-175.5	0	0	0	0	0	113.4	T57	T57-G60 WeakPolarHBondContact CA-O 3.28Å; T57-G60 WeakPolarHBondContact CB-O 3.5Å; T57-G60 PolarHBondContact N-O 3.08Å; T57-G60 PolarHBondContact O-N 3.15Å; T57-G60 VanDerWaalsContact O-N 3.13Å; T57-G60 PolarHBondContact OG1-N 3.32Å; T57-G60 PolarHBondContact OG1-O 3.41Å
61	K	96.3	Very high	94.7	Very high	107 Å²	107	28 Å²	28	47%	0.465	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	145.2	-178.5	-71	-173.3	176.2	-175	0	111.8	Y11 F55 T56	Y11-K61 HydrophobicContact CD1-CB 4.31Å; Y11-K61 HydrophobicContact CD2-CB 3.82Å; Y11-K61 WeakPolarHBondContact CD2-O 3.33Å; Y11-K61 HydrophobicContact CE1-CB 4.49Å; Y11-K61 HydrophobicContact CE2-CB 3.98Å; Y11-K61 HydrophobicContact CG-CB 3.98Å; F55-K61 WeakPolarHBondContact O-CA 3.38Å; T56-K61 HydrophobicContact CG2-CG 4.46Å
62	I	96.4	Very high	93.7	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	-128.3	147.5	168	65	175	0	0	0	109.4	P12 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.47Å; P12-I62 WeakPolarHBondContact O-CA 3.4Å; D54-I62 WeakPolarHBondContact CA-O 3.45Å; F55-I62 HydrophobicContact CB-CD1 4.36Å; F55-I62 HydrophobicContact CB-CG1 3.89Å; F55-I62 PolarHBondContact N-O 2.8Å; F55-I62 PolarHBondContact O-N 3.32Å; T57-I62 HydrophobicContact CG2-CD1 3.97Å; T57-I62 HydrophobicContact CG2-CG1 3.99Å; T57-I62 HydrophobicContact CG2-CG2 4.23Å; I62-F64 HydrophobicContact CD1-CE2 3.84Å; I62-F64 HydrophobicContact CD1-CZ 4.29Å; I62-A168 HydrophobicContact CD1-CB 3.35Å; I62-F179 HydrophobicContact CD1-CE1 4.27Å
63	R	96.7	Very high	92.2	Very high	42 Å²	42	32.6 Å²	32.6	16%	0.158	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.1	173	175.7	166.4	-70.1	-173.4	-2.8	111.4	V9 Y11 P12 S13 F14 P52 L53 D54 Y65	V9-R63 HydrophobicContact CG2-CB 4.4Å; Y11-R63 HydrophobicContact CE2-CB 3.78Å; Y11-R63 PolarHBondContact OH-NH2 3.01Å; P12-R63 PolarHBondContact O-N 2.91Å; S13-R63 CarbonylContact C-O 3.59Å; S13-R63 WeakPolarHBondContact CA-O 3.49Å; F14-R63 PolarHBondContact N-O 2.87Å; P52-R63 HydrophobicContact CB-CG 4.37Å; L53-R63 CarbonylContact O-C 3.53Å; L53-R63 WeakPolarHBondContact O-CA 3.34Å; D54-R63 VanDerWaalsContact CG-NH2 3.28Å; D54-R63 WeakPolarHBondContact OD1-CB 3.44Å; D54-R63 IonicContact OD1-CZ 3.53Å; D54-R63 VanDerWaalsContact OD1-CZ 3.28Å; D54-R63 IonicContact OD1-NE 2.65Å; D54-R63 PolarHBondContact OD1-NE 3.46Å; D54-R63 IonicContact OD1-NH2 3.14Å; D54-R63 PolarHBondContact OD1-NH2 3.14Å; D54-R63 VanDerWaalsContact OD1-NH2 3.08Å; D54-R63 IonicContact OD2-CZ 3.96Å; D54-R63 IonicContact OD2-NE 2.79Å; D54-R63 IonicContact OD2-NH2 3.87Å; D54-R63 PolarHBondContact OD2-NH2 2.9Å; R63-Y65 HydrophobicContact CG-CD2 4.36Å; R63-Y65 HydrophobicContact CG-CE1 4.48Å; R63-Y65 HydrophobicContact CG-CE2 4.22Å
64	F	97.6	Very high	90.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.6	160.9	-68.6	-77.1	0	0	0	109.4	F14 L16 L53 F55 I62 C66 F164 L167 A168 L171	F14-F64 HydrophobicContact CB-CD1 3.95Å; F14-F64 HydrophobicContact CB-CE1 4.08Å; F14-F64 HydrophobicContact CD2-CE1 4.35Å; F14-F64 CarbonylContact O-C 3.58Å; F14-F64 WeakPolarHBondContact O-CA 3.46Å; L16-F64 HydrophobicContact CB-CB 4.24Å; L16-F64 HydrophobicContact CB-CD1 3.95Å; L16-F64 HydrophobicContact CB-CG 4.47Å; L16-F64 HydrophobicContact CD1-CB 4.49Å; L16-F64 HydrophobicContact CD1-CD1 3.91Å; L16-F64 HydrophobicContact CD1-CE1 4.35Å; L16-F64 HydrophobicContact CD1-CG 4.22Å; L53-F64 PolarHBondContact N-O 3.38Å; L53-F64 PolarHBondContact O-N 3.18Å; F55-F64 AromaticContact CD2-CD2 3.76Å; F55-F64 HydrophobicContact CD2-CD2 3.76Å; F55-F64 HydrophobicContact CD2-CE2 4.18Å; F55-F64 AromaticContact CE2-CD2 3.71Å; F55-F64 HydrophobicContact CE2-CD2 3.71Å; F55-F64 HydrophobicContact CE2-CE2 4.33Å; I62-F64 HydrophobicContact CD1-CE2 3.84Å; I62-F64 HydrophobicContact CD1-CZ 4.29Å; F64-C66 PolarHBondContact O-N 3.39Å; 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 4.37Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.21Å; F64-L167 HydrophobicContact CE1-CB 4.3Å; F64-L167 HydrophobicContact CZ-CB 4.1Å; F64-A168 HydrophobicContact CE2-CB 4.47Å; F64-A168 HydrophobicContact CZ-CB 4.25Å; F64-L171 HydrophobicContact CE1-CD1 3.61Å; F64-L171 HydrophobicContact CZ-CD1 4.17Å
65	Y	97.3	Very high	88.2	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	97.2	161.7	-68.7	-73.6	0	0	0	107.2	Q6 G7 F14 L16 P52 R63 W67	Q6-Y65 HydrophobicContact CB-CE1 4.03Å; Q6-Y65 VanDerWaalsContact OE1-CE1 3.28Å; G7-Y65 PolarHBondContact O-OH 3.39Å; F14-Y65 PolarHBondContact O-N 3.37Å; L16-Y65 PolarHBondContact N-O 3.45Å; P52-Y65 HydrophobicContact CB-CD1 4.13Å; P52-Y65 HydrophobicContact CB-CE1 4.1Å; R63-Y65 HydrophobicContact CG-CD2 4.36Å; R63-Y65 HydrophobicContact CG-CE1 4.48Å; R63-Y65 HydrophobicContact CG-CE2 4.22Å; Y65-W67 PolarHBondContact O-N 3.33Å
66	C	96.7	Very high	86.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	110.9	-177.3	-66.2	0	0	0	0	110.2	L16 V30 V50 H51 L53 F64 D68	L16-C66 HydrophobicContact CD2-CB 4.35Å; L16-C66 CarbonylContact O-C 3.48Å; L16-C66 WeakPolarHBondContact O-CA 3.42Å; V30-C66 HydrophobicContact CG1-CB 4.16Å; V30-C66 HydrophobicContact CG2-CB 4.42Å; V50-C66 CarbonylContact C-O 3.56Å; V50-C66 VanDerWaalsContact CA-O 3.31Å; V50-C66 WeakPolarHBondContact CA-O 3.26Å; H51-C66 PolarHBondContact N-O 2.87Å; H51-C66 WeakPolarHBondContact O-CB 3.47Å; H51-C66 PolarHBondContact O-N 3.37Å; L53-C66 HydrophobicContact CD1-CB 4.43Å; L53-C66 VanDerWaalsContact CD1-SG 3.51Å; F64-C66 PolarHBondContact O-N 3.39Å; C66-D68 PolarHBondContact O-N 2.91Å
67	W	95.6	Very high	84.4	Confident	23 Å²	23	48.4 Å²	48.4	9%	0.087	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	93	173.9	-71.8	54.7	0	0	0	108.3	L3 K15 L16 I18 V48 V50 Y65 T69 Y82	L3-W67 HydrophobicContact CD2-CH2 3.75Å; L3-W67 HydrophobicContact CD2-CZ2 4.15Å; L3-W67 HydrophobicContact CG-CH2 4.12Å; L3-W67 HydrophobicContact CG-CZ2 4.03Å; K15-W67 HydrophobicContact CD-CD2 4.4Å; K15-W67 HydrophobicContact CD-CZ2 4.35Å; K15-W67 HydrophobicContact CG-CG 4.41Å; L16-W67 PolarHBondContact O-N 2.9Å; I18-W67 WeakPolarHBondContact CG2-O 3.16Å; I18-W67 PolarHBondContact N-O 2.74Å; V48-W67 HydrophobicContact CG1-CE3 4.34Å; V48-W67 HydrophobicContact CG1-CZ3 4.42Å; V48-W67 HydrophobicContact CG2-CB 3.94Å; V48-W67 HydrophobicContact CG2-CD2 4.34Å; V48-W67 HydrophobicContact CG2-CE3 3.85Å; V48-W67 HydrophobicContact CG2-CG 4.44Å; V50-W67 HydrophobicContact CG2-CD2 3.67Å; V50-W67 HydrophobicContact CG2-CE3 4.22Å; V50-W67 HydrophobicContact CG2-CG 3.83Å; V50-W67 HydrophobicContact CG2-CZ2 4.23Å; Y65-W67 PolarHBondContact O-N 3.33Å; W67-T69 PolarHBondContact O-N 2.9Å; W67-Y82 HydrophobicContact CE3-CD1 4.49Å; W67-Y82 HydrophobicContact CZ3-CD1 4.3Å
68	D	94.2	Very high	82.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	102.2	173.9	-174.8	35.3	0	0	0	110.3	I18 K26 T27 V48 E49 C66	I18-D68 VanDerWaalsContact CG2-CA 3.46Å; I18-D68 HydrophobicContact CG2-CB 4.06Å; K26-D68 VanDerWaalsContact CB-OD1 3.28Å; K26-D68 WeakPolarHBondContact CB-OD1 3.39Å; T27-D68 VanDerWaalsContact CA-OD2 3.25Å; T27-D68 WeakPolarHBondContact CA-OD2 3.44Å; T27-D68 VanDerWaalsContact CB-OD2 3.23Å; T27-D68 WeakPolarHBondContact CB-OD2 3.5Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.44Å; T27-D68 PolarHBondContact OG1-OD2 3.13Å; V48-D68 VanDerWaalsContact CA-O 3.3Å; V48-D68 WeakPolarHBondContact CA-O 3.14Å; V48-D68 WeakPolarHBondContact CG2-O 3.38Å; E49-D68 PolarHBondContact N-O 2.94Å; E49-D68 PolarHBondContact O-N 2.91Å; C66-D68 PolarHBondContact O-N 2.91Å
69	T	91.1	Very high	81.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	148.3	-176.7	66.2	0	0	0	0	111.5	V17 I18 K26 V48 W67 Y82	V17-T69 HydrophobicContact CG1-CG2 4.13Å; I18-T69 PolarHBondContact O-N 3.39Å; I18-T69 PolarHBondContact O-OG1 3.36Å; K26-T69 WeakPolarHBondContact CE-O 3.22Å; V48-T69 HydrophobicContact CG2-CG2 4.34Å; W67-T69 PolarHBondContact O-N 2.9Å; T69-Y82 HydrophobicContact CG2-CD2 4.28Å; T69-Y82 HydrophobicContact CG2-CG 4.49Å
70	A	86.9	Confident	81	Confident	3 Å²	3	49.5 Å²	49.5	3%	0.025	26%	0.263	C	S	.	.			trans	-70.2	141.4	174.8	0	0	0	0	0	111.7	T45 G47 E73	T45-A70 WeakPolarHBondContact O-CB 3.39Å; G47-A70 PolarHBondContact O-N 2.93Å; A70-E73 VanDerWaalsContact CB-CD 3.46Å; A70-E73 HydrophobicContact CB-CG 3.96Å; A70-E73 WeakPolarHBondContact CB-OE1 3.43Å; A70-E73 PolarHBondContact N-OE1 3.01Å; A70-E73 VanDerWaalsContact O-CG 3.24Å; A70-E73 WeakPolarHBondContact O-CG 3.32Å
71	G	79.2	Confident	80.6	Confident	13 Å²	13	49.9 Å²	49.9	13%	0.134	27%	0.267	C	S	.	.	S	Bend	trans	-92.8	-2.8	-178.9	0	0	0	0	0	114.7	G20 G22	G20-G71 WeakPolarHBondContact O-CA 3.38Å; G22-G71 PolarHBondContact N-O 3.02Å; G22-G71 VanDerWaalsContact N-O 3.1Å
72	Q	74	Confident	80.3	Confident	115 Å²	115	46.9 Å²	46.9	54%	0.537	25%	0.253	S	S	.	.			trans	-99.6	-7.2	-173.4	-66.3	-68.3	-12.7	0	0	113.5	K74	Q72-K74 PolarHBondContact O-N 3.26Å
73	E	63.3	Low	80.1	Confident	46 Å²	46	46.3 Å²	46.3	22%	0.215	25%	0.25	C	C	.	.			trans	-70.2	96	-170.9	-11.2	-119.8	-150.9	0	0	110.3	A70 F75 R79	A70-E73 VanDerWaalsContact CB-CD 3.46Å; A70-E73 HydrophobicContact CB-CG 3.96Å; A70-E73 WeakPolarHBondContact CB-OE1 3.43Å; A70-E73 PolarHBondContact N-OE1 3.01Å; A70-E73 VanDerWaalsContact O-CG 3.24Å; A70-E73 WeakPolarHBondContact O-CG 3.32Å; E73-F75 PolarHBondContact O-N 2.9Å; E73-R79 HydrophobicContact CB-CG 4.31Å; E73-R79 HydrophobicContact CG-CG 4.19Å; E73-R79 PolarHBondContact O-NE 2.8Å; E73-R79 PolarHBondContact O-NH1 2.95Å; E73-R79 PolarHBondContact O-NH2 3.03Å
74	K	55.7	Low	79.9	Confident	186 Å²	186	48.1 Å²	48.1	81%	0.809	26%	0.262	S	S	*	.			trans	-67.7	-9.4	-179.6	-67.7	-174.6	177.9	-178.9	0	114	Q72	Q72-K74 PolarHBondContact O-N 3.26Å
75	F	50.7	Low	79.7	Confident	166 Å²	166	54.3 Å²	54.3	73%	0.728	29%	0.291	S	S	*	.			trans	-112.6	102.1	-171.1	-57	-72	0	0	0	110.9	E73 G77	E73-F75 PolarHBondContact O-N 2.9Å; F75-G77 PolarHBondContact O-N 3.27Å; F75-G77 VanDerWaalsContact O-N 3.13Å
76	G	55.3	Low	79.6	Confident	25 Å²	25	54.1 Å²	54.1	26%	0.258	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.8	-171.6	0	0	0	0	0	116.5	L78 R79	G76-L78 PolarHBondContact O-N 3.5Å; G76-R79 PolarHBondContact O-N 3.27Å
77	G	58.6	Low	79.7	Confident	65 Å²	65	57.8 Å²	57.8	67%	0.67	31%	0.309	S	S	*	.	H	α-helix	trans	-65.5	-37	-174	0	0	0	0	0	115.2	F75 R79	F75-G77 PolarHBondContact O-N 3.27Å; F75-G77 VanDerWaalsContact O-N 3.13Å; G77-R79 VanDerWaalsContact C-N 3.3Å; G77-R79 PolarHBondContact O-N 2.96Å
78	L	63	Low	79.8	Confident	128 Å²	128	56.7 Å²	56.7	67%	0.67	31%	0.305	S	S	*	.	H	α-helix	trans	-72.2	-26.1	177	-86.4	150.2	0	0	0	112.3	G76	G76-L78 PolarHBondContact O-N 3.5Å
79	R	74.8	Confident	80	Confident	19 Å²	19	56.7 Å²	56.7	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-74.1	-32.7	-174.8	-66.9	-158	-93.7	-154.2	-133.9	113	E73 G76 G77 G81 Y82 Y83 W107	E73-R79 HydrophobicContact CB-CG 4.31Å; E73-R79 HydrophobicContact CG-CG 4.19Å; E73-R79 PolarHBondContact O-NE 2.8Å; E73-R79 PolarHBondContact O-NH1 2.95Å; E73-R79 PolarHBondContact O-NH2 3.03Å; G76-R79 PolarHBondContact O-N 3.27Å; G77-R79 VanDerWaalsContact C-N 3.3Å; G77-R79 PolarHBondContact O-N 2.96Å; R79-G81 PolarHBondContact O-N 2.98Å; R79-Y82 WeakPolarHBondContact O-CB 3.4Å; R79-Y82 PolarHBondContact O-N 3.24Å; R79-Y83 HydrophobicContact CB-CE2 4.22Å; R79-Y83 PolarHBondContact O-N 3.46Å; R79-W107 VanDerWaalsContact CZ-CZ3 3.48Å
80	D	82.4	Confident	80.4	Confident	41 Å²	41	56.7 Å²	56.7	22%	0.219	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-39	179.2	-72.4	-0.6	0	0	0	111.8	Y82 Y83 I84 R113 V114	D80-Y82 PolarHBondContact O-N 3.02Å; D80-Y83 PolarHBondContact O-N 3.32Å; D80-I84 WeakPolarHBondContact O-CG1 3.3Å; D80-I84 PolarHBondContact O-N 2.78Å; D80-R113 IonicContact OD1-CZ 2.73Å; D80-R113 IonicContact OD1-NE 3.28Å; D80-R113 IonicContact OD1-NH2 2.66Å; D80-R113 PolarHBondContact OD1-NH2 2.88Å; D80-R113 IonicContact OD2-CZ 3.7Å; D80-R113 IonicContact OD2-NE 3.86Å; D80-R113 IonicContact OD2-NH2 3.08Å; D80-R113 PolarHBondContact OD2-NH2 2.92Å; D80-V114 HydrophobicContact CB-CG2 3.93Å
81	G	87.4	Confident	80.9	Confident	42 Å²	42	56.6 Å²	56.6	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-33.2	176.4	0	0	0	0	0	113.4	R79 Y83	R79-G81 PolarHBondContact O-N 2.98Å; G81-Y83 VanDerWaalsContact C-N 3.33Å
82	Y	89.7	Confident	81.8	Confident	44 Å²	44	56 Å²	56	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-73.2	-28	176	-54.3	-37.1	0	0	0	112.2	K15 G47 V48 W67 T69 R79 D80	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.03Å; K15-Y82 PolarHBondContact NZ-O 2.95Å; G47-Y82 WeakPolarHBondContact CA-OH 3.46Å; V48-Y82 HydrophobicContact CB-CD1 3.99Å; V48-Y82 HydrophobicContact CB-CD2 4.46Å; V48-Y82 HydrophobicContact CB-CE1 3.97Å; V48-Y82 HydrophobicContact CB-CE2 4.43Å; V48-Y82 HydrophobicContact CB-CG 4.26Å; V48-Y82 HydrophobicContact CG1-CD1 3.66Å; V48-Y82 HydrophobicContact CG1-CE1 3.48Å; V48-Y82 VanDerWaalsContact CG1-CE1 3.48Å; V48-Y82 HydrophobicContact CG1-CG 4.41Å; W67-Y82 HydrophobicContact CE3-CD1 4.49Å; W67-Y82 HydrophobicContact CZ3-CD1 4.3Å; T69-Y82 HydrophobicContact CG2-CD2 4.28Å; T69-Y82 HydrophobicContact CG2-CG 4.49Å; R79-Y82 WeakPolarHBondContact O-CB 3.4Å; R79-Y82 PolarHBondContact O-N 3.24Å; D80-Y82 PolarHBondContact O-N 3.02Å
83	Y	92.2	Very high	83	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-79.5	-32.6	-178	-56.3	-20	0	0	0	112.5	V17 V19 R79 D80 G81 H85 G86 D110 L111 V114 C115	V17-Y83 HydrophobicContact CG1-CD1 3.65Å; V17-Y83 HydrophobicContact CG1-CE1 3.9Å; V19-Y83 HydrophobicContact CG1-CD1 4.44Å; V19-Y83 HydrophobicContact CG1-CE1 3.51Å; R79-Y83 HydrophobicContact CB-CE2 4.22Å; R79-Y83 PolarHBondContact O-N 3.46Å; D80-Y83 PolarHBondContact O-N 3.32Å; G81-Y83 VanDerWaalsContact C-N 3.33Å; Y83-H85 PolarHBondContact O-N 3.15Å; Y83-G86 PolarHBondContact O-N 2.95Å; Y83-D110 HydrophobicContact CE2-CB 4.22Å; Y83-L111 HydrophobicContact CD1-CD1 4.16Å; Y83-L111 HydrophobicContact CG-CD1 4.12Å; Y83-V114 HydrophobicContact CD2-CB 4.34Å; Y83-V114 HydrophobicContact CD2-CG2 4.05Å; Y83-C115 PolarHBondContact O-SG 3.06Å
84	I	92.2	Very high	84.6	Confident	81 Å²	81	48.8 Å²	48.8	42%	0.415	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.8	127.4	-177.1	-69.8	171.4	0	0	0	112.1	K15 D80 G86 V114	K15-I84 PolarHBondContact NZ-O 2.89Å; D80-I84 WeakPolarHBondContact O-CG1 3.3Å; D80-I84 PolarHBondContact O-N 2.78Å; I84-G86 PolarHBondContact O-N 3.48Å; I84-V114 HydrophobicContact CB-CG1 4.49Å; I84-V114 HydrophobicContact CG1-CG1 3.86Å
85	H	93.3	Very high	86.7	Confident	130 Å²	130	39.9 Å²	39.9	60%	0.602	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	22	-176.8	-49.7	-53.9	0	0	0	115.5	Y83 Q87	Y83-H85 PolarHBondContact O-N 3.15Å; H85-Q87 PolarHBondContact O-N 2.93Å
86	G	96	Very high	88.9	Confident	8 Å²	8	33.9 Å²	33.9	8%	0.082	20%	0.203	C	C	.	.			trans	-57.2	134	166.1	0	0	0	0	0	110	Y83 I84 I118	Y83-G86 PolarHBondContact O-N 2.95Å; I84-G86 PolarHBondContact O-N 3.48Å; G86-I118 WeakPolarHBondContact O-CG2 3.31Å
87	Q	97.8	Very high	90.9	Very high	78 Å²	78	34.6 Å²	34.6	36%	0.364	20%	0.204	S	C	.	.			trans	-103.8	-22	178	-69.3	167.6	-84.6	0	0	111.6	F14 K15 H85 P119 L171	F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; F14-Q87 HydrophobicContact CB-CB 4.49Å; K15-Q87 PolarHBondContact O-N 3.48Å; H85-Q87 PolarHBondContact O-N 2.93Å; Q87-P119 WeakPolarHBondContact O-CD 3.38Å; Q87-L171 HydrophobicContact CB-CD2 4.34Å
88	C	98.5	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165.4	173.7	58.8	0	0	0	0	109.8	K15 L16 V17 P119 L167 L171	K15-C88 PolarHBondContact O-N 3.38Å; L16-C88 WeakPolarHBondContact CA-O 3.36Å; V17-C88 PolarHBondContact N-O 2.83Å; C88-P119 VanDerWaalsContact CA-O 3.26Å; C88-P119 WeakPolarHBondContact CA-O 3.48Å; C88-P119 HydrophobicContact CB-CG 3.96Å; C88-P119 WeakPolarHBondContact CB-O 3.4Å; C88-L167 HydrophobicContact CB-CD1 4.14Å; C88-L167 HydrophobicContact CB-CD2 3.82Å; C88-L167 HydrophobicContact CB-CG 4.38Å; C88-L171 HydrophobicContact CB-CD1 4.02Å
89	A	98.3	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158	176.1	0	0	0	0	0	114.6	V17 L111 I118 P119 I120 V121	V17-A89 HydrophobicContact CB-CB 4.41Å; V17-A89 CarbonylContact O-C 3.56Å; V17-A89 WeakPolarHBondContact O-CA 3.41Å; V17-A89 VanDerWaalsContact O-CB 3.31Å; V17-A89 WeakPolarHBondContact O-CB 3.29Å; 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 4.05Å; A89-P119 PolarHBondContact N-O 3.26Å; A89-I120 HydrophobicContact CB-CG1 4.18Å; A89-I120 WeakPolarHBondContact O-CA 3.42Å; A89-V121 PolarHBondContact O-N 3.06Å
90	I	98.7	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.6	166.7	-64.6	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 4.31Å; L16-I90 HydrophobicContact CD2-CD1 4.28Å; L16-I90 HydrophobicContact CD2-CG1 4.36Å; V17-I90 PolarHBondContact O-N 3.2Å; I18-I90 WeakPolarHBondContact CA-O 3.3Å; I18-I90 HydrophobicContact CB-CB 4.46Å; I18-I90 HydrophobicContact CD1-CB 4.38Å; I18-I90 HydrophobicContact CD1-CG2 4.16Å; I18-I90 HydrophobicContact CG1-CB 4.03Å; I18-I90 HydrophobicContact CG1-CG2 4.08Å; V19-I90 PolarHBondContact N-O 3.28Å; F29-I90 HydrophobicContact CE1-CD1 4.04Å; I90-V121 CarbonylContact C-O 3.57Å; I90-V121 WeakPolarHBondContact CA-O 3.16Å; I90-V121 HydrophobicContact CG1-CB 4.47Å; I90-C123 HydrophobicContact CG2-CB 4.17Å; I90-P163 HydrophobicContact CD1-CB 3.86Å; I90-P163 HydrophobicContact CG1-CB 4.47Å; I90-F164 HydrophobicContact CD1-CZ 4.39Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å
91	I	98	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.5	168.5	-53.2	179.6	0	0	0	107.2	V19 V104 W107 H108 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.23Å; V19-I91 HydrophobicContact CG2-CG1 3.73Å; V19-I91 HydrophobicContact CG2-CG2 4.29Å; I91-V104 HydrophobicContact CG2-CG1 4.17Å; I91-V104 HydrophobicContact CG2-CG2 4.33Å; I91-W107 HydrophobicContact CG2-CB 4.11Å; I91-H108 HydrophobicContact CD1-CB 3.76Å; I91-I120 HydrophobicContact CD1-CG2 3.89Å; I91-I120 HydrophobicContact CG1-CG2 3.88Å; I91-V121 PolarHBondContact N-O 3.4Å; I91-L122 HydrophobicContact CB-CD1 4.15Å; I91-L122 HydrophobicContact CG2-CD1 4.16Å; I91-L122 CarbonylContact O-C 3.59Å; I91-L122 WeakPolarHBondContact O-CA 3Å; I91-C123 PolarHBondContact O-N 3.41Å
92	M	98.5	Very high	96.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.6	-176.7	-168.1	179.6	-73.2	0	0	111.7	I18 V19 G20 G25 K26 F29 C123 N125 I152	I18-M92 HydrophobicContact CD1-CE 3.82Å; V19-M92 PolarHBondContact O-N 2.84Å; G20-M92 WeakPolarHBondContact CA-O 3.34Å; G25-M92 VanDerWaalsContact C-SD 3.53Å; K26-M92 HydrophobicContact CG-CB 4.07Å; K26-M92 HydrophobicContact CG-SD 4.01Å; K26-M92 PolarHBondContact N-SD 2.83Å; K26-M92 VanDerWaalsContact N-SD 3.42Å; F29-M92 HydrophobicContact CB-CE 3.67Å; F29-M92 HydrophobicContact CD1-CE 3.82Å; F29-M92 HydrophobicContact CD2-CE 4.3Å; F29-M92 HydrophobicContact CG-CE 3.67Å; M92-C123 WeakPolarHBondContact CA-O 3.3Å; M92-C123 HydrophobicContact CG-CB 4.45Å; M92-N125 HydrophobicContact CG-CB 4.02Å; M92-N125 HydrophobicContact SD-CB 3.98Å; M92-I152 HydrophobicContact CE-CD1 3.94Å
93	F	98.4	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	167.8	166.6	74.1	-86	0	0	0	110.7	V95 Y101 V104 L122 C123 N125 V134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.97Å; F93-V95 HydrophobicContact CZ-CG1 4.5Å; F93-Y101 AromaticContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD1-CD2 3.97Å; F93-Y101 AromaticContact CD2-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CG 4.26Å; F93-Y101 AromaticContact CE1-CD2 3.87Å; F93-Y101 HydrophobicContact CE1-CD2 3.87Å; F93-Y101 HydrophobicContact CE1-CE2 4.3Å; F93-Y101 AromaticContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CG 4.28Å; F93-Y101 HydrophobicContact CG-CD2 4Å; F93-Y101 AromaticContact CZ-CD2 3.83Å; F93-Y101 HydrophobicContact CZ-CD2 3.83Å; F93-Y101 HydrophobicContact CZ-CE2 4.35Å; F93-V104 HydrophobicContact CB-CG2 3.96Å; F93-V104 HydrophobicContact CD1-CG2 4.16Å; F93-V104 HydrophobicContact CG-CG2 4.32Å; F93-L122 HydrophobicContact CD1-CD1 3.8Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.05Å; F93-L122 HydrophobicContact CE1-CD2 4.16Å; F93-L122 HydrophobicContact CE1-CG 3.95Å; F93-C123 VanDerWaalsContact CD1-O 3.29Å; F93-C123 WeakPolarHBondContact CD1-O 3.32Å; F93-C123 PolarHBondContact N-O 2.91Å; F93-N125 PolarHBondContact O-N 3Å; F93-V134 HydrophobicContact CE2-CB 4.33Å; F93-V134 HydrophobicContact CE2-CG1 4.02Å; F93-V139 HydrophobicContact CE1-CG1 4.31Å; F93-V139 HydrophobicContact CE2-CG2 4.48Å; F93-V139 HydrophobicContact CZ-CG1 4.07Å; F93-V139 HydrophobicContact CZ-CG2 3.91Å; F93-Y149 AromaticContact CE1-CE2 3.71Å; F93-Y149 HydrophobicContact CE1-CE2 3.71Å; F93-Y149 AromaticContact CZ-CE2 3.88Å; F93-Y149 HydrophobicContact CZ-CE2 3.88Å
94	D	98.1	Very high	97	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.2	178.6	-177.7	-16.2	0	0	0	109.5	T24 T96 S97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.29Å; D94-T96 PolarHBondContact O-N 3.08Å; D94-T96 VanDerWaalsContact O-N 3.07Å; D94-T96 WeakPolarHBondContact OD1-CA 3.48Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 2.66Å; D94-T96 PolarHBondContact OD1-OG1 3.02Å; D94-T96 PolarHBondContact OD2-OG1 3.31Å; D94-S97 PolarHBondContact O-N 3.45Å; D94-T100 HydrophobicContact CB-CG2 4.31Å; D94-T100 PolarHBondContact N-OG1 2.87Å; D94-T100 PolarHBondContact O-OG1 3.49Å; D94-K126 VanDerWaalsContact OD2-CD 3.3Å; D94-K126 WeakPolarHBondContact OD2-CD 3.35Å; D94-K126 WeakPolarHBondContact OD2-CE 3.43Å; D94-K126 IonicContact OD2-NZ 2.69Å; D94-K126 PolarHBondContact OD2-NZ 2.92Å
95	V	98	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15	-179.5	-55.9	0	0	0	0	113.2	F93 N125 V127 R132 Q133 V134	F93-V95 HydrophobicContact CE2-CG1 3.97Å; F93-V95 HydrophobicContact CZ-CG1 4.5Å; V95-N125 WeakPolarHBondContact CG2-O 3.21Å; V95-N125 PolarHBondContact N-O 2.73Å; V95-V127 HydrophobicContact CG1-CG1 3.89Å; V95-V127 HydrophobicContact CG2-CG1 4.07Å; V95-R132 HydrophobicContact CB-CG 4.17Å; V95-R132 HydrophobicContact CG2-CG 4.17Å; V95-Q133 PolarHBondContact O-N 3.26Å; V95-V134 PolarHBondContact O-N 3.09Å
96	T	97.8	Very high	97.2	Very high	39 Å²	39	35.8 Å²	35.8	24%	0.239	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3	176.1	74.7	0	0	0	0	113.2	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 3.08Å; D94-T96 VanDerWaalsContact O-N 3.07Å; D94-T96 WeakPolarHBondContact OD1-CA 3.48Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 2.66Å; D94-T96 PolarHBondContact OD1-OG1 3.02Å; D94-T96 PolarHBondContact OD2-OG1 3.31Å; T96-K126 HydrophobicContact CG2-CB 4.41Å; T96-V129 HydrophobicContact CG2-CB 3.59Å; T96-V129 HydrophobicContact CG2-CG1 3.68Å; T96-V129 HydrophobicContact CG2-CG2 4.18Å; T96-Q133 WeakPolarHBondContact O-CB 3Å; T96-Q133 WeakPolarHBondContact O-CG 3.39Å
97	S	97.2	Very high	97.1	Very high	40 Å²	40	35.7 Å²	35.7	28%	0.28	18%	0.176	S	C	.	.			trans	-133.9	105.8	179.6	-178.3	0	0	0	0	112.1	D94 L99 T100	D94-S97 PolarHBondContact O-N 3.45Å; S97-L99 PolarHBondContact O-N 2.84Å; S97-T100 PolarHBondContact O-N 3.29Å; S97-T100 VanDerWaalsContact O-N 3.11Å; S97-T100 PolarHBondContact O-OG1 2.89Å
98	R	96.9	Very high	97	Very high	155 Å²	155	33.1 Å²	33.1	59%	0.585	16%	0.164	S	C	*	.	H	α-helix	trans	-56.6	-36	178.9	-62.3	-172.2	-177	170.3	9.1	113.1	T100 Y101 K102 Q133 V134	R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 2.57Å; R98-Y101 PolarHBondContact O-N 3.06Å; R98-K102 PolarHBondContact O-N 2.91Å; R98-Q133 HydrophobicContact CG-CB 3.9Å; R98-Q133 PolarHBondContact NE-O 3.19Å; R98-V134 HydrophobicContact CB-CG2 4.46Å; R98-V134 HydrophobicContact CG-CG2 4.21Å
99	L	96.1	Very high	96.7	Very high	106 Å²	106	40.3 Å²	40.3	56%	0.555	19%	0.191	S	C	*	.	H	α-helix	trans	-58.7	-42.2	179.7	-178.3	61.2	0	0	0	111.3	S97 Y101 K102 N103	S97-L99 PolarHBondContact O-N 2.84Å; L99-Y101 VanDerWaalsContact C-N 3.29Å; L99-Y101 PolarHBondContact O-N 2.97Å; L99-K102 WeakPolarHBondContact O-CB 3.27Å; L99-K102 PolarHBondContact O-N 3.3Å; L99-K102 VanDerWaalsContact O-N 3.17Å; L99-N103 PolarHBondContact O-N 3.04Å; L99-N103 PolarHBondContact O-ND2 3.4Å
100	T	97	Very high	96.4	Very high	9 Å²	9	41 Å²	41	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-32.7	-178.7	68.4	0	0	0	0	112.6	D21 T24 D94 S97 R98	D21-T100 HydrophobicContact CB-CG2 3.75Å; D21-T100 WeakPolarHBondContact OD2-CA 3.44Å; T24-T100 HydrophobicContact CG2-CG2 3.84Å; D94-T100 HydrophobicContact CB-CG2 4.31Å; D94-T100 PolarHBondContact N-OG1 2.87Å; D94-T100 PolarHBondContact O-OG1 3.49Å; S97-T100 PolarHBondContact O-N 3.29Å; S97-T100 VanDerWaalsContact O-N 3.11Å; S97-T100 PolarHBondContact O-OG1 2.89Å; R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 2.57Å
101	Y	97.8	Very high	96.1	Very high	38 Å²	38	41 Å²	41	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-74.7	-40.6	173	-177.9	-112.7	0	0	0	111.8	F93 R98 L99 N103 V104 L122 V134 Q138 V139 T140 F141	F93-Y101 AromaticContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD1-CD2 3.97Å; F93-Y101 AromaticContact CD2-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CG 4.26Å; F93-Y101 AromaticContact CE1-CD2 3.87Å; F93-Y101 HydrophobicContact CE1-CD2 3.87Å; F93-Y101 HydrophobicContact CE1-CE2 4.3Å; F93-Y101 AromaticContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CG 4.28Å; F93-Y101 HydrophobicContact CG-CD2 4Å; F93-Y101 AromaticContact CZ-CD2 3.83Å; F93-Y101 HydrophobicContact CZ-CD2 3.83Å; F93-Y101 HydrophobicContact CZ-CE2 4.35Å; R98-Y101 PolarHBondContact O-N 3.06Å; L99-Y101 VanDerWaalsContact C-N 3.29Å; L99-Y101 PolarHBondContact O-N 2.97Å; Y101-N103 PolarHBondContact O-N 3.38Å; Y101-V104 HydrophobicContact CD2-CG2 4.09Å; Y101-V104 VanDerWaalsContact O-CB 3.3Å; Y101-V104 WeakPolarHBondContact O-CB 3.4Å; Y101-V104 WeakPolarHBondContact O-CG2 3.26Å; Y101-V104 PolarHBondContact O-N 3.41Å; Y101-L122 HydrophobicContact CE2-CD2 4.44Å; Y101-V134 HydrophobicContact CD1-CG1 3.95Å; Y101-V134 HydrophobicContact CG-CG1 3.95Å; Y101-Q138 PolarHBondContact OH-O 3.43Å; Y101-V139 HydrophobicContact CE2-CB 4.4Å; Y101-V139 HydrophobicContact CE2-CG1 3.76Å; Y101-V139 HydrophobicContact CE2-CG2 4.47Å; Y101-V139 WeakPolarHBondContact OH-CA 3.36Å; Y101-T140 PolarHBondContact OH-N 3.34Å; Y101-F141 HydrophobicContact CE2-CB 4.34Å; Y101-F141 WeakPolarHBondContact OH-CB 3.34Å; Y101-F141 PolarHBondContact OH-N 2.86Å
102	K	96.5	Very high	95.9	Very high	126 Å²	126	42.9 Å²	42.9	55%	0.548	21%	0.208	S	C	.	.	H	α-helix	trans	-57.3	-29.9	174.6	-174.3	175.8	179	176	0	112.4	R98 L99 P105	R98-K102 PolarHBondContact O-N 2.91Å; L99-K102 WeakPolarHBondContact O-CB 3.27Å; L99-K102 PolarHBondContact O-N 3.3Å; L99-K102 VanDerWaalsContact O-N 3.17Å; K102-P105 WeakPolarHBondContact O-CD 3.38Å
103	N	95.6	Very high	95.6	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.251	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.6	178.7	-69.3	-20.9	0	0	0	114.4	D21 L99 Y101 P105 T106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.46Å; D21-N103 PolarHBondContact OD1-ND2 3.37Å; D21-N103 PolarHBondContact OD2-ND2 3.06Å; L99-N103 PolarHBondContact O-N 3.04Å; L99-N103 PolarHBondContact O-ND2 3.4Å; Y101-N103 PolarHBondContact O-N 3.38Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; N103-T106 WeakPolarHBondContact O-CB 3.35Å; N103-T106 PolarHBondContact O-N 3.03Å; N103-T106 VanDerWaalsContact O-N 3.13Å; N103-W107 PolarHBondContact O-N 2.98Å
104	V	96.7	Very high	95.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.4	-44.1	178.8	167.5	0	0	0	0	113.2	I91 F93 Y101 T106 W107 H108 L122 F141	I91-V104 HydrophobicContact CG2-CG1 4.17Å; I91-V104 HydrophobicContact CG2-CG2 4.33Å; F93-V104 HydrophobicContact CB-CG2 3.96Å; F93-V104 HydrophobicContact CD1-CG2 4.16Å; F93-V104 HydrophobicContact CG-CG2 4.32Å; Y101-V104 HydrophobicContact CD2-CG2 4.09Å; Y101-V104 VanDerWaalsContact O-CB 3.3Å; Y101-V104 WeakPolarHBondContact O-CB 3.4Å; Y101-V104 WeakPolarHBondContact O-CG2 3.26Å; Y101-V104 PolarHBondContact O-N 3.41Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 3.24Å; V104-W107 PolarHBondContact O-N 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.45Å; V104-H108 PolarHBondContact O-N 3.04Å; V104-L122 HydrophobicContact CG1-CD1 3.68Å; V104-L122 HydrophobicContact CG2-CD1 3.99Å; V104-F141 HydrophobicContact CG1-CD1 3.43Å; V104-F141 VanDerWaalsContact CG1-CD1 3.43Å; V104-F141 HydrophobicContact CG1-CE1 3.7Å; V104-F141 HydrophobicContact CG1-CG 4.01Å; V104-F141 HydrophobicContact CG1-CZ 4.47Å
105	P	95.9	Very high	95.2	Very high	42 Å²	42	51.6 Å²	51.6	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-40	176.3	-25.3	34.5	0	0	0	113.5	K102 N103 H108 R109 F141	K102-P105 WeakPolarHBondContact O-CD 3.38Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; P105-H108 PolarHBondContact O-N 3.19Å; P105-R109 WeakPolarHBondContact O-CB 3.44Å; P105-R109 PolarHBondContact O-N 2.98Å; P105-F141 HydrophobicContact CB-CD2 4.39Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.24Å; P105-F141 HydrophobicContact CG-CD2 3.82Å; P105-F141 HydrophobicContact CG-CE2 3.67Å; P105-F141 HydrophobicContact CG-CZ 4.43Å
106	T	93.2	Very high	94.7	Very high	53 Å²	53	58.9 Å²	58.9	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-49.9	176.7	-54.9	0	0	0	0	111	N103 V104 H108 R109 D110	N103-T106 WeakPolarHBondContact O-CB 3.35Å; N103-T106 PolarHBondContact O-N 3.03Å; N103-T106 VanDerWaalsContact O-N 3.13Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 3.24Å; T106-H108 VanDerWaalsContact C-N 3.32Å; T106-H108 PolarHBondContact O-N 2.82Å; T106-R109 PolarHBondContact O-N 3.17Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 3.07Å
107	W	94.1	Very high	94.4	Very high	7 Å²	7	64.6 Å²	64.6	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-42	177.4	-71.9	110.7	0	0	0	112.5	V19 G20 D21 R79 I91 N103 V104 L111	V19-W107 HydrophobicContact CB-CD2 4.4Å; V19-W107 HydrophobicContact CB-CE3 3.77Å; V19-W107 HydrophobicContact CB-CZ3 4.12Å; V19-W107 HydrophobicContact CG1-CE3 4.45Å; V19-W107 HydrophobicContact CG2-CB 4.26Å; V19-W107 HydrophobicContact CG2-CE3 4.35Å; G20-W107 VanDerWaalsContact O-CZ2 3.25Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å; D21-W107 PolarHBondContact OD1-NE1 2.98Å; R79-W107 VanDerWaalsContact CZ-CZ3 3.48Å; I91-W107 HydrophobicContact CG2-CB 4.11Å; N103-W107 PolarHBondContact O-N 2.98Å; V104-W107 PolarHBondContact O-N 3.47Å; W107-L111 VanDerWaalsContact O-CB 3.28Å; W107-L111 WeakPolarHBondContact O-CB 3.31Å; W107-L111 PolarHBondContact O-N 3.49Å
108	H	95	Very high	94.4	Very high	23 Å²	23	64 Å²	64	11%	0.106	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176.6	176.1	-79.6	0	0	0	111.7	I91 V104 P105 T106 D110 L111 C112 F141	I91-H108 HydrophobicContact CD1-CB 3.76Å; V104-H108 WeakPolarHBondContact O-CB 3.45Å; V104-H108 PolarHBondContact O-N 3.04Å; P105-H108 PolarHBondContact O-N 3.19Å; T106-H108 VanDerWaalsContact C-N 3.32Å; T106-H108 PolarHBondContact O-N 2.82Å; H108-D110 PolarHBondContact O-N 2.99Å; H108-L111 PolarHBondContact O-N 3.35Å; H108-C112 PolarHBondContact CE1-SG 2.87Å; H108-C112 WeakPolarHBondContact O-CB 3.18Å; H108-C112 PolarHBondContact O-N 3.26Å; H108-C112 PolarHBondContact O-SG 2.65Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; H108-F141 HydrophobicContact CB-CE1 3.71Å; 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	92.9	Very high	94.5	Very high	152 Å²	152	58 Å²	58	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-58.1	-49.6	178.3	179.5	-162.6	66.1	-159.4	-1.8	111.2	P105 T106 L111 C112 R113	P105-R109 WeakPolarHBondContact O-CB 3.44Å; P105-R109 PolarHBondContact O-N 2.98Å; T106-R109 PolarHBondContact O-N 3.17Å; R109-L111 VanDerWaalsContact C-N 3.33Å; R109-L111 PolarHBondContact O-N 2.87Å; R109-C112 PolarHBondContact O-N 2.79Å; R109-R113 PolarHBondContact O-N 2.95Å
110	D	91.8	Very high	94.6	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-39.3	-177.5	-64.3	-5.2	0	0	0	111.1	Y83 T106 H108	Y83-D110 HydrophobicContact CE2-CB 4.22Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 3.07Å; H108-D110 PolarHBondContact O-N 2.99Å
111	L	93.1	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-50.7	174.1	-179.6	71.5	0	0	0	111.9	V17 Y83 A89 W107 H108 R109 R113 V114 C115 I118 I120	V17-L111 HydrophobicContact CB-CD1 4.49Å; Y83-L111 HydrophobicContact CD1-CD1 4.16Å; Y83-L111 HydrophobicContact CG-CD1 4.12Å; 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 3.28Å; W107-L111 WeakPolarHBondContact O-CB 3.31Å; W107-L111 PolarHBondContact O-N 3.49Å; H108-L111 PolarHBondContact O-N 3.35Å; R109-L111 VanDerWaalsContact C-N 3.33Å; R109-L111 PolarHBondContact O-N 2.87Å; L111-R113 PolarHBondContact O-N 2.83Å; L111-V114 PolarHBondContact O-N 3.43Å; L111-C115 PolarHBondContact O-N 2.91Å; L111-I118 HydrophobicContact CD1-CD1 4.44Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; L111-I120 HydrophobicContact CD2-CD1 3.73Å; L111-I120 HydrophobicContact CD2-CG1 4.06Å
112	C	93.8	Very high	94.7	Very high	40 Å²	40	51.2 Å²	51.2	27%	0.27	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-22.3	-177.8	-71.4	0	0	0	0	113.4	H108 R109 V114	H108-C112 PolarHBondContact CE1-SG 2.87Å; H108-C112 WeakPolarHBondContact O-CB 3.18Å; H108-C112 PolarHBondContact O-N 3.26Å; H108-C112 PolarHBondContact O-SG 2.65Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; R109-C112 PolarHBondContact O-N 2.79Å; C112-V114 PolarHBondContact O-N 3.47Å
113	R	92.3	Very high	94.8	Very high	142 Å²	142	45.2 Å²	45.2	54%	0.536	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-30.5	171	-177.3	177.1	69.1	-169.6	-2	112.4	D80 R109 L111	D80-R113 IonicContact OD1-CZ 2.73Å; D80-R113 IonicContact OD1-NE 3.28Å; D80-R113 IonicContact OD1-NH2 2.66Å; D80-R113 PolarHBondContact OD1-NH2 2.88Å; D80-R113 IonicContact OD2-CZ 3.7Å; D80-R113 IonicContact OD2-NE 3.86Å; D80-R113 IonicContact OD2-NH2 3.08Å; D80-R113 PolarHBondContact OD2-NH2 2.92Å; R109-R113 PolarHBondContact O-N 2.95Å; L111-R113 PolarHBondContact O-N 2.83Å
114	V	94	Very high	95	Very high	44 Å²	44	43 Å²	43	27%	0.267	21%	0.212	S	C	.	.	H	α-helix	trans	-105.5	-35	-176.3	-175.3	0	0	0	0	112.2	D80 Y83 I84 L111 C112	D80-V114 HydrophobicContact CB-CG2 3.93Å; Y83-V114 HydrophobicContact CD2-CB 4.34Å; Y83-V114 HydrophobicContact CD2-CG2 4.05Å; I84-V114 HydrophobicContact CB-CG1 4.49Å; I84-V114 HydrophobicContact CG1-CG1 3.86Å; L111-V114 PolarHBondContact O-N 3.43Å; C112-V114 PolarHBondContact O-N 3.47Å
115	C	92.9	Very high	95	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	21%	0.213	C	C	.	.	S	Bend	trans	-120.7	96.9	-179.4	-67.3	0	0	0	0	110.3	Y83 L111 I118	Y83-C115 PolarHBondContact O-SG 3.06Å; L111-C115 PolarHBondContact O-N 2.91Å; C115-I118 HydrophobicContact CB-CD1 3.6Å; C115-I118 HydrophobicContact CB-CG1 3.93Å; C115-I118 HydrophobicContact CB-CG2 4.12Å
116	E	88.8	Confident	95.1	Very high	153 Å²	153	44 Å²	44	72%	0.715	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	138.2	174.8	-64.5	-176.5	-174.6	0	0	110.9	I118	E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 2.75Å
117	N	91	Very high	95.3	Very high	159 Å²	159	41.7 Å²	41.7	85%	0.85	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.4	169.2	-55.8	-47.8	0	0	0	116.9
118	I	97.1	Very high	95.3	Very high	28 Å²	28	43 Å²	43	14%	0.144	21%	0.205	C	C	.	.			trans	-83.8	147.4	172.6	60.8	164.5	0	0	0	111.8	G86 A89 L111 C115 E116 I120	G86-I118 WeakPolarHBondContact O-CG2 3.31Å; A89-I118 HydrophobicContact CB-CD1 4.05Å; L111-I118 HydrophobicContact CD1-CD1 4.44Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; C115-I118 HydrophobicContact CB-CD1 3.6Å; C115-I118 HydrophobicContact CB-CG1 3.93Å; C115-I118 HydrophobicContact CB-CG2 4.12Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 2.75Å; I118-I120 HydrophobicContact CD1-CG1 4.37Å; I118-I120 HydrophobicContact CG1-CD1 4.29Å; I118-I120 HydrophobicContact CG1-CG1 4.03Å; I118-I120 WeakPolarHBondContact O-CG1 3.34Å; I118-I120 PolarHBondContact O-N 2.78Å
119	P	98.2	Very high	95.3	Very high	30 Å²	30	44.7 Å²	44.7	20%	0.195	22%	0.217	C	C	.	.			trans	-64.2	128.7	170	25.6	-34.1	0	0	0	110.8	Q87 C88 A89 L167 K170 L171	Q87-P119 WeakPolarHBondContact O-CD 3.38Å; C88-P119 VanDerWaalsContact CA-O 3.26Å; C88-P119 WeakPolarHBondContact CA-O 3.48Å; C88-P119 HydrophobicContact CB-CG 3.96Å; C88-P119 WeakPolarHBondContact CB-O 3.4Å; A89-P119 PolarHBondContact N-O 3.26Å; P119-L167 HydrophobicContact CB-CD2 3.87Å; P119-L167 HydrophobicContact CG-CD2 4.28Å; P119-L167 WeakPolarHBondContact O-CD2 3.44Å; P119-K170 HydrophobicContact CB-CB 3.83Å; P119-K170 HydrophobicContact CB-CG 4.26Å; P119-K170 HydrophobicContact CG-CB 4.19Å; P119-L171 HydrophobicContact CG-CD2 3.98Å; P119-L171 HydrophobicContact CG-CG 4.15Å
120	I	98.6	Very high	95.2	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.8	-178.4	-59.5	165.2	0	0	0	109.2	A89 I91 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.18Å; A89-I120 WeakPolarHBondContact O-CA 3.42Å; I91-I120 HydrophobicContact CD1-CG2 3.89Å; I91-I120 HydrophobicContact CG1-CG2 3.88Å; L111-I120 HydrophobicContact CD2-CD1 3.73Å; L111-I120 HydrophobicContact CD2-CG1 4.06Å; I118-I120 HydrophobicContact CD1-CG1 4.37Å; I118-I120 HydrophobicContact CG1-CD1 4.29Å; I118-I120 HydrophobicContact CG1-CG1 4.03Å; I118-I120 WeakPolarHBondContact O-CG1 3.34Å; I118-I120 PolarHBondContact O-N 2.78Å; I120-L147 HydrophobicContact CB-CD2 4.11Å; I120-L147 HydrophobicContact CG2-CD1 4.31Å; I120-L147 HydrophobicContact CG2-CD2 4.43Å
121	V	98.7	Very high	95.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130	170.3	-177.5	0	0	0	0	109.5	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 3.06Å; I90-V121 CarbonylContact C-O 3.57Å; I90-V121 WeakPolarHBondContact CA-O 3.16Å; I90-V121 HydrophobicContact CG1-CB 4.47Å; I91-V121 PolarHBondContact N-O 3.4Å; V121-Q148 CarbonylContact C-O 3.52Å; V121-Q148 WeakPolarHBondContact CA-O 3.28Å; V121-Q148 HydrophobicContact CG2-CB 4.4Å; V121-Y150 HydrophobicContact CG1-CD2 3.76Å; V121-Y150 HydrophobicContact CG1-CE2 4.33Å; V121-P163 HydrophobicContact CB-CB 4.46Å; V121-P163 HydrophobicContact CG1-CB 4.01Å; V121-P163 HydrophobicContact CG1-CG 4.43Å; V121-Y166 HydrophobicContact CG2-CD1 3.4Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.4Å; V121-Y166 HydrophobicContact CG2-CE1 4.01Å; V121-Y166 HydrophobicContact CG2-CG 4.24Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; 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	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128	166.4	-177.8	65.2	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 4.16Å; I91-L122 CarbonylContact O-C 3.59Å; I91-L122 WeakPolarHBondContact O-CA 3Å; F93-L122 HydrophobicContact CD1-CD1 3.8Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.05Å; F93-L122 HydrophobicContact CE1-CD2 4.16Å; F93-L122 HydrophobicContact CE1-CG 3.95Å; Y101-L122 HydrophobicContact CE2-CD2 4.44Å; V104-L122 HydrophobicContact CG1-CD1 3.68Å; V104-L122 HydrophobicContact CG2-CD1 3.99Å; L122-V139 HydrophobicContact CD2-CG1 4.06Å; L122-H142 HydrophobicContact CD2-CB 4.03Å; L122-Q148 PolarHBondContact N-O 3.23Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.96Å; L122-Y149 HydrophobicContact CD2-CE2 4.49Å; L122-Y149 HydrophobicContact CG-CD2 3.86Å; L122-Y149 HydrophobicContact CG-CE2 4.38Å; L122-Y149 WeakPolarHBondContact O-CA 3.29Å; L122-Y149 VanDerWaalsContact O-CD2 3.27Å; L122-Y149 WeakPolarHBondContact O-CD2 3.41Å; L122-Y150 PolarHBondContact O-N 3.2Å
123	C	98.8	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	179.3	-71.8	0	0	0	0	111.1	I90 I91 M92 F93 Y150 I152 P163	I90-C123 HydrophobicContact CG2-CB 4.17Å; I91-C123 PolarHBondContact O-N 3.41Å; M92-C123 WeakPolarHBondContact CA-O 3.3Å; M92-C123 HydrophobicContact CG-CB 4.45Å; F93-C123 VanDerWaalsContact CD1-O 3.29Å; F93-C123 WeakPolarHBondContact CD1-O 3.32Å; F93-C123 PolarHBondContact N-O 2.91Å; C123-Y150 WeakPolarHBondContact CA-O 3.38Å; C123-I152 HydrophobicContact CB-CD1 3.74Å; C123-I152 HydrophobicContact CB-CG1 4.21Å; C123-P163 VanDerWaalsContact SG-CG 3.5Å
124	G	98.5	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	102.6	167.9	0	0	0	0	0	109.5	Y150 I152	G124-Y150 PolarHBondContact N-O 2.97Å; G124-I152 PolarHBondContact O-N 2.69Å
125	N	98.4	Very high	95.5	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	165.9	-177.1	-168.3	27.2	0	0	0	112.3	T24 M92 F93 V95 I152 S153 A154	T24-N125 PolarHBondContact O-ND2 3.32Å; M92-N125 HydrophobicContact CG-CB 4.02Å; M92-N125 HydrophobicContact SD-CB 3.98Å; F93-N125 PolarHBondContact O-N 3Å; V95-N125 WeakPolarHBondContact CG2-O 3.21Å; V95-N125 PolarHBondContact N-O 2.73Å; N125-I152 CarbonylContact C-O 3.6Å; N125-I152 VanDerWaalsContact CA-O 3.31Å; N125-I152 WeakPolarHBondContact CA-O 3.46Å; N125-I152 HydrophobicContact CB-CD1 4.26Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 2.94Å; N125-S153 WeakPolarHBondContact OD1-CA 3.31Å; N125-A154 PolarHBondContact OD1-N 2.92Å
126	K	97.1	Very high	95.5	Very high	59 Å²	59	49.6 Å²	49.6	26%	0.257	24%	0.243	S	C	.	.			trans	69.4	32.5	177.3	-47.3	-167.8	-165.9	165	0	114.6	G23 D94 T96 D128 V129 I152	G23-K126 WeakPolarHBondContact O-CE 3.39Å; G23-K126 PolarHBondContact O-NZ 3.46Å; D94-K126 VanDerWaalsContact OD2-CD 3.3Å; D94-K126 WeakPolarHBondContact OD2-CD 3.35Å; D94-K126 WeakPolarHBondContact OD2-CE 3.43Å; D94-K126 IonicContact OD2-NZ 2.69Å; D94-K126 PolarHBondContact OD2-NZ 2.92Å; T96-K126 HydrophobicContact CG2-CB 4.41Å; K126-D128 WeakPolarHBondContact CA-OD1 3.21Å; 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 3.29Å; K126-V129 PolarHBondContact O-N 2.89Å; K126-I152 PolarHBondContact N-O 3.22Å
127	V	97.1	Very high	95.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.03	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.8	176.1	-54.8	0	0	0	0	114.3	V95 E151 I152 Y158 I192 Q197	V95-V127 HydrophobicContact CG1-CG1 3.89Å; V95-V127 HydrophobicContact CG2-CG1 4.07Å; V127-E151 HydrophobicContact CG1-CB 3.87Å; V127-E151 HydrophobicContact CG1-CG 4.16Å; V127-I152 WeakPolarHBondContact CG2-O 2.93Å; V127-I152 PolarHBondContact N-O 3.34Å; V127-Y158 HydrophobicContact CG2-CD1 3.68Å; V127-Y158 HydrophobicContact CG2-CE1 4.28Å; V127-Y158 HydrophobicContact CG2-CG 4.49Å; V127-I192 HydrophobicContact CG2-CD1 4.11Å; V127-Q197 PolarHBondContact O-NE2 2.81Å
128	D	95.3	Very high	95.5	Very high	35 Å²	35	45 Å²	45	19%	0.187	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.9	167.6	58.5	-71.2	0	0	0	113.5	K126 S153 K155 V190 I192	K126-D128 WeakPolarHBondContact CA-OD1 3.21Å; K126-D128 PolarHBondContact O-N 2.78Å; K126-D128 VanDerWaalsContact O-N 3.14Å; D128-S153 WeakPolarHBondContact OD1-CB 3.42Å; D128-S153 PolarHBondContact OD1-OG 2.94Å; D128-K155 WeakPolarHBondContact OD2-CD 3.11Å; D128-V190 HydrophobicContact CB-CG2 3.78Å; D128-I192 HydrophobicContact CB-CD1 4.08Å
129	V	94.6	Very high	95.4	Very high	58 Å²	58	43.8 Å²	43.8	35%	0.352	21%	0.208	S	C	.	.			trans	-87.2	118.2	-178.7	-177.1	0	0	0	0	110.3	T96 K126 N131	T96-V129 HydrophobicContact CG2-CB 3.59Å; T96-V129 HydrophobicContact CG2-CG1 3.68Å; T96-V129 HydrophobicContact CG2-CG2 4.18Å; K126-V129 HydrophobicContact CB-CG2 4.2Å; K126-V129 WeakPolarHBondContact O-CB 3.29Å; K126-V129 PolarHBondContact O-N 2.89Å; V129-N131 VanDerWaalsContact C-N 3.27Å; V129-N131 PolarHBondContact O-N 2.84Å
130	K	89.9	Confident	95.2	Very high	176 Å²	176	43.4 Å²	43.4	77%	0.765	21%	0.206	S	C	*	.	S	Bend	trans	-58.5	-34.1	-178.8	-65.5	-172.8	178	-174.8	0	113.9	R132	K130-R132 PolarHBondContact O-N 3.22Å
131	N	92.1	Very high	95.1	Very high	113 Å²	113	43.8 Å²	43.8	60%	0.604	21%	0.207	S	C	*	.	S	Bend	trans	-80.1	57.8	-178.3	-169.7	28.6	0	0	0	112.4	V129 Q133	V129-N131 VanDerWaalsContact C-N 3.27Å; V129-N131 PolarHBondContact O-N 2.84Å; N131-Q133 PolarHBondContact ND2-NE2 3.38Å; N131-Q133 PolarHBondContact OD1-NE2 3.13Å
132	R	94.7	Very high	94.9	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.136	21%	0.214	C	C	.	.			trans	-66.4	129.9	178.8	-177.8	172.4	-174.9	138.6	7.8	111.1	V95 K130 V134 E151 H200	V95-R132 HydrophobicContact CB-CG 4.17Å; V95-R132 HydrophobicContact CG2-CG 4.17Å; K130-R132 PolarHBondContact O-N 3.22Å; R132-V134 PolarHBondContact NE-O 3.39Å; R132-V134 PolarHBondContact NH2-O 3.26Å; R132-E151 IonicContact CZ-OE1 2.74Å; R132-E151 IonicContact CZ-OE2 3.41Å; R132-E151 IonicContact NH1-OE1 3.41Å; R132-E151 PolarHBondContact NH1-OE1 2.79Å; R132-E151 IonicContact NH1-OE2 3.87Å; R132-E151 PolarHBondContact NH1-OE2 3.18Å; R132-E151 IonicContact NH2-OE1 2.93Å; R132-E151 PolarHBondContact NH2-OE1 2.74Å; R132-E151 IonicContact NH2-OE2 3.71Å; R132-H200 PolarHBondContact NH1-ND1 3.04Å
133	Q	96.6	Very high	94.7	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	-105.9	-25.4	-178.6	-63	-58.3	-40.7	0	0	113.8	V95 T96 R98 N131	V95-Q133 PolarHBondContact O-N 3.26Å; T96-Q133 WeakPolarHBondContact O-CB 3Å; T96-Q133 WeakPolarHBondContact O-CG 3.39Å; R98-Q133 HydrophobicContact CG-CB 3.9Å; R98-Q133 PolarHBondContact NE-O 3.19Å; N131-Q133 PolarHBondContact ND2-NE2 3.38Å; N131-Q133 PolarHBondContact OD1-NE2 3.13Å
134	V	95.9	Very high	94.4	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	24%	0.241	C	C	.	.	S	Bend	trans	-106.9	98.7	176.4	-177.2	0	0	0	0	108.1	F93 V95 R98 Y101 R132 V139	F93-V134 HydrophobicContact CE2-CB 4.33Å; F93-V134 HydrophobicContact CE2-CG1 4.02Å; V95-V134 PolarHBondContact O-N 3.09Å; R98-V134 HydrophobicContact CB-CG2 4.46Å; R98-V134 HydrophobicContact CG-CG2 4.21Å; Y101-V134 HydrophobicContact CD1-CG1 3.95Å; Y101-V134 HydrophobicContact CG-CG1 3.95Å; R132-V134 PolarHBondContact NE-O 3.39Å; R132-V134 PolarHBondContact NH2-O 3.26Å; V134-V139 HydrophobicContact CG1-CG2 3.75Å
135	K	93.5	Very high	94.2	Very high	113 Å²	113	57.3 Å²	57.3	49%	0.491	26%	0.264	S	S	.	.			trans	-66.3	148.6	-177	-60.6	-176.6	178.8	-175.8	0	110.9	K137 Q138	K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 HydrophobicContact CB-CG 4.28Å; K135-K137 PolarHBondContact O-N 3.26Å; K135-Q138 HydrophobicContact CB-CG 4.14Å; K135-Q138 WeakPolarHBondContact O-CB 3.49Å; K135-Q138 PolarHBondContact O-N 3.34Å
136	A	91.2	Very high	93.9	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-44.3	-53.7	176.8	0	0	0	0	0	112.3	Q138 V139 H200 E203 L204	A136-Q138 PolarHBondContact O-N 3.06Å; A136-V139 PolarHBondContact O-N 3.35Å; A136-H200 HydrophobicContact CB-CB 4.21Å; A136-E203 HydrophobicContact CB-CB 3.91Å; A136-L204 HydrophobicContact CB-CD2 4.13Å; A136-L204 HydrophobicContact CB-CG 3.87Å; A136-L204 WeakPolarHBondContact O-CD2 3.5Å
137	K	89.8	Confident	93.9	Very high	125 Å²	125	62.3 Å²	62.3	54%	0.543	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.6	-17.6	178.4	68.8	179.6	-175.2	175.7	0	116.4	K135 A207	K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 HydrophobicContact CB-CG 4.28Å; K135-K137 PolarHBondContact O-N 3.26Å; K137-A207 HydrophobicContact CB-CB 4.13Å
138	Q	91.3	Very high	94	Very high	90 Å²	90	65 Å²	65	42%	0.421	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-85.9	-12.2	178.5	-63.6	177.4	-59	0	0	112.2	Y101 K135 A136 T140	Y101-Q138 PolarHBondContact OH-O 3.43Å; K135-Q138 HydrophobicContact CB-CG 4.14Å; K135-Q138 WeakPolarHBondContact O-CB 3.49Å; K135-Q138 PolarHBondContact O-N 3.34Å; A136-Q138 PolarHBondContact O-N 3.06Å; Q138-T140 PolarHBondContact O-N 2.89Å
139	V	94.6	Very high	94.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.024	30%	0.3	C	S	.	.			trans	-84.3	80.8	-177.8	-172.6	0	0	0	0	109.8	F93 Y101 L122 V134 A136 H142 Y149	F93-V139 HydrophobicContact CE1-CG1 4.31Å; F93-V139 HydrophobicContact CE2-CG2 4.48Å; F93-V139 HydrophobicContact CZ-CG1 4.07Å; F93-V139 HydrophobicContact CZ-CG2 3.91Å; Y101-V139 HydrophobicContact CE2-CB 4.4Å; Y101-V139 HydrophobicContact CE2-CG1 3.76Å; Y101-V139 HydrophobicContact CE2-CG2 4.47Å; Y101-V139 WeakPolarHBondContact OH-CA 3.36Å; L122-V139 HydrophobicContact CD2-CG1 4.06Å; V134-V139 HydrophobicContact CG1-CG2 3.75Å; A136-V139 PolarHBondContact O-N 3.35Å; V139-H142 PolarHBondContact O-CE1 2.79Å; V139-H142 PolarHBondContact O-ND1 3.04Å; V139-Y149 HydrophobicContact CB-CE1 4.17Å; V139-Y149 HydrophobicContact CG1-CD1 4.2Å; V139-Y149 HydrophobicContact CG1-CD2 4.09Å; V139-Y149 HydrophobicContact CG1-CE1 3.88Å; V139-Y149 HydrophobicContact CG1-CE2 3.8Å; V139-Y149 HydrophobicContact CG1-CG 4.29Å
140	T	94.7	Very high	94.2	Very high	22 Å²	22	63.5 Å²	63.5	14%	0.135	29%	0.292	C	S	.	.			trans	-103.4	-14.1	-176.9	56.6	0	0	0	0	114.4	Y101 Q138 H142 R143 K144 L212	Y101-T140 PolarHBondContact OH-N 3.34Å; Q138-T140 PolarHBondContact O-N 2.89Å; T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.48Å; T140-R143 WeakPolarHBondContact O-CB 3.37Å; T140-R143 PolarHBondContact O-N 3.04Å; T140-K144 PolarHBondContact O-N 3.19Å; T140-L212 HydrophobicContact CG2-CD2 4.41Å
141	F	95.9	Very high	94.6	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-37.3	-172.7	-175.1	-98.8	0	0	0	113.3	Y101 V104 P105 H108 R143 K144 K145 L147	Y101-F141 HydrophobicContact CE2-CB 4.34Å; Y101-F141 WeakPolarHBondContact OH-CB 3.34Å; Y101-F141 PolarHBondContact OH-N 2.86Å; V104-F141 HydrophobicContact CG1-CD1 3.43Å; V104-F141 VanDerWaalsContact CG1-CD1 3.43Å; V104-F141 HydrophobicContact CG1-CE1 3.7Å; V104-F141 HydrophobicContact CG1-CG 4.01Å; V104-F141 HydrophobicContact CG1-CZ 4.47Å; P105-F141 HydrophobicContact CB-CD2 4.39Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.24Å; P105-F141 HydrophobicContact CG-CD2 3.82Å; P105-F141 HydrophobicContact CG-CE2 3.67Å; P105-F141 HydrophobicContact CG-CZ 4.43Å; H108-F141 HydrophobicContact CB-CE1 3.71Å; 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 3.26Å; F141-R143 PolarHBondContact O-N 3.46Å; F141-K144 WeakPolarHBondContact O-CB 3.45Å; F141-K144 PolarHBondContact O-N 3.18Å; F141-K144 VanDerWaalsContact O-N 3.15Å; F141-K145 HydrophobicContact CD1-CG 4.45Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.95Å; F141-K145 HydrophobicContact CZ-CG 3.53Å; F141-K145 PolarHBondContact O-N 3.03Å; F141-K145 VanDerWaalsContact O-N 3.08Å; F141-L147 HydrophobicContact CD1-CD1 4.15Å; F141-L147 HydrophobicContact CE1-CD1 3.98Å
142	H	95.2	Very high	94.9	Very high	34 Å²	34	50.1 Å²	50.1	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-35.2	177.6	71.3	-85.2	0	0	0	112.4	L122 V139 T140 N146 L147	L122-H142 HydrophobicContact CD2-CB 4.03Å; V139-H142 PolarHBondContact O-CE1 2.79Å; V139-H142 PolarHBondContact O-ND1 3.04Å; T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.48Å; H142-N146 CarbonylContact O-C 3.49Å; H142-N146 WeakPolarHBondContact O-CA 3.32Å; H142-N146 PolarHBondContact O-N 3.1Å; H142-L147 HydrophobicContact CB-CB 4.11Å; H142-L147 WeakPolarHBondContact CB-O 3.35Å; H142-L147 PolarHBondContact O-N 2.74Å
143	R	93.4	Very high	95	Very high	73 Å²	73	48.4 Å²	48.4	28%	0.275	22%	0.222	S	C	.	.	H	α-helix	trans	-69.7	-42.7	175.3	-61.8	174.7	62.4	-153.2	-3.6	111.1	T140 F141 K145 N146 A207 A208 Q210 L212	T140-R143 WeakPolarHBondContact O-CB 3.37Å; T140-R143 PolarHBondContact O-N 3.04Å; F141-R143 VanDerWaalsContact C-N 3.26Å; F141-R143 PolarHBondContact O-N 3.46Å; R143-K145 VanDerWaalsContact C-N 3.26Å; R143-K145 PolarHBondContact O-N 3.33Å; R143-N146 PolarHBondContact O-N 3.24Å; R143-A207 PolarHBondContact NH1-O 2.98Å; R143-A208 PolarHBondContact NH2-O 3.33Å; R143-A208 VanDerWaalsContact NH2-O 3.12Å; R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.92Å; R143-Q210 PolarHBondContact NH2-O 3.46Å; R143-L212 HydrophobicContact CB-CD1 4.47Å; R143-L212 HydrophobicContact CB-CD2 3.83Å
144	K	91.9	Very high	94.9	Very high	67 Å²	67	45.7 Å²	45.7	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-34.4	178.1	-64.5	-174.2	180	-171.2	0	112.7	T140 F141 L212 D215	T140-K144 PolarHBondContact O-N 3.19Å; F141-K144 WeakPolarHBondContact O-CB 3.45Å; F141-K144 PolarHBondContact O-N 3.18Å; F141-K144 VanDerWaalsContact O-N 3.15Å; K144-L212 HydrophobicContact CG-CD1 3.96Å; K144-L212 HydrophobicContact CG-CD2 4.22Å; K144-D215 VanDerWaalsContact CE-OD1 3.3Å; K144-D215 WeakPolarHBondContact CE-OD1 3.43Å; K144-D215 IonicContact NZ-OD1 2.87Å; K144-D215 PolarHBondContact NZ-OD1 2.78Å
145	K	94.6	Very high	94.8	Very high	109 Å²	109	48.5 Å²	48.5	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	8.2	-177.1	-61.8	-57.4	-176.3	-171.1	0	114.5	F141 R143 L147	F141-K145 HydrophobicContact CD1-CG 4.45Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.95Å; F141-K145 HydrophobicContact CZ-CG 3.53Å; F141-K145 PolarHBondContact O-N 3.03Å; F141-K145 VanDerWaalsContact O-N 3.08Å; R143-K145 VanDerWaalsContact C-N 3.26Å; R143-K145 PolarHBondContact O-N 3.33Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 HydrophobicContact CB-CD1 4.04Å; K145-L147 HydrophobicContact CB-CD2 3.94Å; K145-L147 HydrophobicContact CB-CG 3.74Å; K145-L147 VanDerWaalsContact O-CD2 3.28Å; K145-L147 WeakPolarHBondContact O-CD2 3.3Å; K145-L147 PolarHBondContact O-N 3.13Å
146	N	93.4	Very high	94.9	Very high	149 Å²	149	43.6 Å²	43.6	80%	0.797	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.7	-177.3	-167	33.7	0	0	0	113.8	H142 R143	H142-N146 CarbonylContact O-C 3.49Å; H142-N146 WeakPolarHBondContact O-CA 3.32Å; H142-N146 PolarHBondContact O-N 3.1Å; R143-N146 PolarHBondContact O-N 3.24Å
147	L	96.9	Very high	95	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.105	21%	0.21	C	C	.	.			trans	-97.2	151.2	177.7	-42.1	-179.6	0	0	0	110	I120 F141 H142 K145	I120-L147 HydrophobicContact CB-CD2 4.11Å; I120-L147 HydrophobicContact CG2-CD1 4.31Å; I120-L147 HydrophobicContact CG2-CD2 4.43Å; F141-L147 HydrophobicContact CD1-CD1 4.15Å; F141-L147 HydrophobicContact CE1-CD1 3.98Å; H142-L147 HydrophobicContact CB-CB 4.11Å; H142-L147 WeakPolarHBondContact CB-O 3.35Å; H142-L147 PolarHBondContact O-N 2.74Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 HydrophobicContact CB-CD1 4.04Å; K145-L147 HydrophobicContact CB-CD2 3.94Å; K145-L147 HydrophobicContact CB-CG 3.74Å; K145-L147 VanDerWaalsContact O-CD2 3.28Å; K145-L147 WeakPolarHBondContact O-CD2 3.3Å; K145-L147 PolarHBondContact O-N 3.13Å
148	Q	97.3	Very high	95.2	Very high	61 Å²	61	40.6 Å²	40.6	29%	0.285	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.3	166.2	-176.9	61.2	42.8	0	0	109.5	V121 L122 Y150 Y166	V121-Q148 CarbonylContact C-O 3.52Å; V121-Q148 WeakPolarHBondContact CA-O 3.28Å; V121-Q148 HydrophobicContact CG2-CB 4.4Å; L122-Q148 PolarHBondContact N-O 3.23Å; Q148-Y150 HydrophobicContact CG-CD2 4.06Å; Q148-Y150 HydrophobicContact CG-CE1 4.42Å; Q148-Y150 HydrophobicContact CG-CE2 3.42Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.42Å; Q148-Y166 HydrophobicContact CB-CD1 3.87Å; Q148-Y166 HydrophobicContact CB-CD2 3.93Å; Q148-Y166 HydrophobicContact CB-CE1 3.57Å; Q148-Y166 HydrophobicContact CB-CE2 3.65Å; Q148-Y166 HydrophobicContact CB-CG 4.03Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.22Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.35Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.89Å
149	Y	97.9	Very high	95.4	Very high	16 Å²	16	37.6 Å²	37.6	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.9	174.2	176	-123.5	0	0	0	111.1	F93 L122 V139 E151 L204	F93-Y149 AromaticContact CE1-CE2 3.71Å; F93-Y149 HydrophobicContact CE1-CE2 3.71Å; F93-Y149 AromaticContact CZ-CE2 3.88Å; F93-Y149 HydrophobicContact CZ-CE2 3.88Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.96Å; L122-Y149 HydrophobicContact CD2-CE2 4.49Å; L122-Y149 HydrophobicContact CG-CD2 3.86Å; L122-Y149 HydrophobicContact CG-CE2 4.38Å; L122-Y149 WeakPolarHBondContact O-CA 3.29Å; L122-Y149 VanDerWaalsContact O-CD2 3.27Å; L122-Y149 WeakPolarHBondContact O-CD2 3.41Å; V139-Y149 HydrophobicContact CB-CE1 4.17Å; V139-Y149 HydrophobicContact CG1-CD1 4.2Å; V139-Y149 HydrophobicContact CG1-CD2 4.09Å; V139-Y149 HydrophobicContact CG1-CE1 3.88Å; V139-Y149 HydrophobicContact CG1-CE2 3.8Å; V139-Y149 HydrophobicContact CG1-CG 4.29Å; Y149-E151 HydrophobicContact CE1-CG 3.95Å; Y149-E151 VanDerWaalsContact OH-CG 3.26Å; Y149-E151 WeakPolarHBondContact OH-CG 3.31Å; Y149-E151 PolarHBondContact OH-OE1 2.89Å; Y149-L204 HydrophobicContact CD1-CD1 4.06Å; Y149-L204 HydrophobicContact CD1-CD2 3.95Å; Y149-L204 HydrophobicContact CE1-CD1 3.64Å; Y149-L204 HydrophobicContact CE1-CD2 3.6Å; Y149-L204 HydrophobicContact CE1-CG 4.28Å
150	Y	97.9	Very high	95.3	Very high	45 Å²	45	37.6 Å²	37.6	18%	0.176	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.9	167.3	-66.4	-62.4	0	0	0	111.5	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.76Å; V121-Y150 HydrophobicContact CG1-CE2 4.33Å; L122-Y150 PolarHBondContact O-N 3.2Å; C123-Y150 WeakPolarHBondContact CA-O 3.38Å; G124-Y150 PolarHBondContact N-O 2.97Å; Q148-Y150 HydrophobicContact CG-CD2 4.06Å; Q148-Y150 HydrophobicContact CG-CE1 4.42Å; Q148-Y150 HydrophobicContact CG-CE2 3.42Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.42Å; Y150-K162 HydrophobicContact CD1-CB 4Å; Y150-K162 HydrophobicContact CD1-CD 3.77Å; Y150-K162 HydrophobicContact CD2-CB 3.95Å; Y150-K162 HydrophobicContact CE1-CB 3.97Å; Y150-K162 HydrophobicContact CE1-CD 3.72Å; Y150-K162 HydrophobicContact CE1-CG 4.4Å; Y150-K162 HydrophobicContact CE2-CB 3.9Å; Y150-K162 WeakPolarHBondContact CE2-O 3.44Å; Y150-K162 HydrophobicContact CG-CB 4Å; Y150-P163 HydrophobicContact CD2-CG 4.17Å
151	E	97.6	Very high	95.4	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128	160.4	-74	-163.6	-179.5	0	0	109.4	V127 R132 Y149 Y158 N159 H200 L204	V127-E151 HydrophobicContact CG1-CB 3.87Å; V127-E151 HydrophobicContact CG1-CG 4.16Å; R132-E151 IonicContact CZ-OE1 2.74Å; R132-E151 IonicContact CZ-OE2 3.41Å; R132-E151 IonicContact NH1-OE1 3.41Å; R132-E151 PolarHBondContact NH1-OE1 2.79Å; R132-E151 IonicContact NH1-OE2 3.87Å; R132-E151 PolarHBondContact NH1-OE2 3.18Å; R132-E151 IonicContact NH2-OE1 2.93Å; R132-E151 PolarHBondContact NH2-OE1 2.74Å; R132-E151 IonicContact NH2-OE2 3.71Å; Y149-E151 HydrophobicContact CE1-CG 3.95Å; Y149-E151 VanDerWaalsContact OH-CG 3.26Å; Y149-E151 WeakPolarHBondContact OH-CG 3.31Å; Y149-E151 PolarHBondContact OH-OE1 2.89Å; E151-Y158 HydrophobicContact CB-CE1 4.44Å; E151-N159 WeakPolarHBondContact O-CB 3.43Å; E151-N159 PolarHBondContact O-ND2 3.26Å; E151-H200 IonicContact OE2-CG 3.55Å; E151-H200 IonicContact OE2-ND1 2.79Å; E151-L204 HydrophobicContact CG-CD1 4.29Å
152	I	97.9	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.194	C	C	.	.			trans	-134.1	158.9	-176.6	66.7	170.2	0	0	0	111	F29 M92 C123 G124 N125 K126 V127 Y158 N159 P163	F29-I152 HydrophobicContact CD2-CD1 3.77Å; F29-I152 HydrophobicContact CE2-CD1 3.68Å; F29-I152 HydrophobicContact CG-CD1 4.5Å; F29-I152 HydrophobicContact CZ-CD1 4.32Å; M92-I152 HydrophobicContact CE-CD1 3.94Å; C123-I152 HydrophobicContact CB-CD1 3.74Å; C123-I152 HydrophobicContact CB-CG1 4.21Å; G124-I152 PolarHBondContact O-N 2.69Å; N125-I152 CarbonylContact C-O 3.6Å; N125-I152 VanDerWaalsContact CA-O 3.31Å; N125-I152 WeakPolarHBondContact CA-O 3.46Å; N125-I152 HydrophobicContact CB-CD1 4.26Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 2.94Å; K126-I152 PolarHBondContact N-O 3.22Å; V127-I152 WeakPolarHBondContact CG2-O 2.93Å; V127-I152 PolarHBondContact N-O 3.34Å; I152-Y158 WeakPolarHBondContact CA-O 3.5Å; I152-N159 HydrophobicContact CG2-CB 4.05Å; I152-P163 HydrophobicContact CG2-CG 4.2Å
153	S	97.4	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-137.2	110.4	165	166.5	0	0	0	0	109.3	N125 D128 K155 S156 N157 Y158	N125-S153 WeakPolarHBondContact OD1-CA 3.31Å; D128-S153 WeakPolarHBondContact OD1-CB 3.42Å; D128-S153 PolarHBondContact OD1-OG 2.94Å; S153-K155 PolarHBondContact O-N 3.4Å; S153-K155 VanDerWaalsContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 3.29Å; S153-S156 WeakPolarHBondContact CB-OG 3.07Å; S153-S156 PolarHBondContact O-N 3.27Å; S153-S156 PolarHBondContact OG-N 2.85Å; S153-S156 PolarHBondContact OG-OG 3.2Å; S153-N157 WeakPolarHBondContact O-CA 3.28Å; S153-N157 PolarHBondContact O-N 2.84Å; S153-Y158 PolarHBondContact N-O 2.8Å; S153-Y158 PolarHBondContact O-N 2.93Å
154	A	94.8	Very high	95.8	Very high	2 Å²	2	37 Å²	37	2%	0.017	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.7	171.6	0	0	0	0	0	112.4	T28 F29 R32 F38 N125 F160	T28-A154 HydrophobicContact CG2-CB 4.28Å; F29-A154 HydrophobicContact CB-CB 4.26Å; F29-A154 HydrophobicContact CD2-CB 4.47Å; R32-A154 WeakPolarHBondContact CD-O 3.43Å; R32-A154 PolarHBondContact NH1-O 2.7Å; F38-A154 WeakPolarHBondContact CD2-O 3.48Å; N125-A154 PolarHBondContact OD1-N 2.92Å; A154-F160 HydrophobicContact CB-CE2 4.33Å
155	K	93.9	Very high	96.1	Very high	63 Å²	63	35.4 Å²	35.4	27%	0.274	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-35.3	-179.1	-163.1	178.1	-174.5	-173.2	0	113.7	R32 F38 D128 S153 E189 V190	R32-K155 PolarHBondContact NH1-O 3.17Å; F38-K155 HydrophobicContact CD1-CG 4.4Å; F38-K155 HydrophobicContact CD2-CB 4.21Å; F38-K155 HydrophobicContact CD2-CG 4.2Å; F38-K155 HydrophobicContact CE1-CD 4.24Å; F38-K155 HydrophobicContact CE1-CG 3.96Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.59Å; F38-K155 HydrophobicContact CE2-CG 3.74Å; F38-K155 HydrophobicContact CG-CG 4.5Å; F38-K155 HydrophobicContact CZ-CB 3.86Å; F38-K155 HydrophobicContact CZ-CD 3.97Å; F38-K155 HydrophobicContact CZ-CG 3.6Å; D128-K155 WeakPolarHBondContact OD2-CD 3.11Å; S153-K155 PolarHBondContact O-N 3.4Å; S153-K155 VanDerWaalsContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 3.29Å; K155-E189 WeakPolarHBondContact CE-OE2 3.25Å; K155-E189 HydrophobicContact CG-CB 4.04Å; K155-E189 PolarHBondContact O-N 3.43Å; K155-V190 HydrophobicContact CB-CG2 4.24Å; K155-V190 HydrophobicContact CD-CG1 4.03Å; K155-V190 HydrophobicContact CD-CG2 3.78Å; K155-V190 HydrophobicContact CG-CG2 3.85Å
156	S	94.3	Very high	96.3	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	1.4	-178.2	64.3	0	0	0	0	114.5	S153 Y158 V190	S153-S156 WeakPolarHBondContact CB-OG 3.07Å; S153-S156 PolarHBondContact O-N 3.27Å; S153-S156 PolarHBondContact OG-N 2.85Å; S153-S156 PolarHBondContact OG-OG 3.2Å; S156-Y158 PolarHBondContact O-N 3.14Å; S156-V190 VanDerWaalsContact CB-O 3.29Å; S156-V190 WeakPolarHBondContact CB-O 3.3Å
157	N	93.4	Very high	96.6	Very high	35 Å²	35	25.1 Å²	25.1	19%	0.187	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	13.3	-172.4	-54.2	-29.7	0	0	0	114.2	R32 S153 N159 F160 L185 K186	R32-N157 PolarHBondContact NE-OD1 2.81Å; R32-N157 PolarHBondContact NH1-OD1 3.42Å; R32-N157 PolarHBondContact NH2-ND2 3.44Å; R32-N157 PolarHBondContact NH2-OD1 3.42Å; R32-N157 VanDerWaalsContact NH2-OD1 3.16Å; S153-N157 WeakPolarHBondContact O-CA 3.28Å; S153-N157 PolarHBondContact O-N 2.84Å; N157-N159 PolarHBondContact O-N 2.89Å; N157-F160 WeakPolarHBondContact O-CB 3.33Å; N157-F160 PolarHBondContact O-N 3.13Å; N157-L185 HydrophobicContact CB-CD1 3.94Å; N157-K186 PolarHBondContact ND2-O 3.06Å
158	Y	95.8	Very high	96.6	Very high	28 Å²	28	24.2 Å²	24.2	11%	0.11	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-63.9	124.9	179.8	-174.1	-109.3	0	0	0	111.1	V127 E151 I152 S153 S156 F160 I192 L194 Q197 E201	V127-Y158 HydrophobicContact CG2-CD1 3.68Å; V127-Y158 HydrophobicContact CG2-CE1 4.28Å; V127-Y158 HydrophobicContact CG2-CG 4.49Å; E151-Y158 HydrophobicContact CB-CE1 4.44Å; I152-Y158 WeakPolarHBondContact CA-O 3.5Å; S153-Y158 PolarHBondContact N-O 2.8Å; S153-Y158 PolarHBondContact O-N 2.93Å; S156-Y158 PolarHBondContact O-N 3.14Å; Y158-F160 PolarHBondContact O-N 2.68Å; Y158-F160 VanDerWaalsContact O-N 3.09Å; Y158-I192 HydrophobicContact CD2-CG1 3.98Å; Y158-I192 HydrophobicContact CD2-CG2 4.22Å; Y158-I192 HydrophobicContact CG-CD1 4.39Å; Y158-I192 HydrophobicContact CG-CG1 3.99Å; Y158-L194 HydrophobicContact CE2-CD2 4.37Å; Y158-Q197 HydrophobicContact CD1-CG 4.4Å; Y158-Q197 HydrophobicContact CD2-CG 4.42Å; Y158-Q197 HydrophobicContact CE1-CB 4.2Å; Y158-Q197 HydrophobicContact CE1-CG 3.93Å; Y158-Q197 HydrophobicContact CE2-CB 4.1Å; Y158-Q197 HydrophobicContact CE2-CG 3.98Å; Y158-Q197 WeakPolarHBondContact OH-CB 3.48Å; Y158-E201 PolarHBondContact OH-OE1 3.35Å
159	N	95.3	Very high	96.7	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.139	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26.4	179.8	-71.8	-21.7	0	0	0	114.8	E151 I152 N157 E161 K162 P163	E151-N159 WeakPolarHBondContact O-CB 3.43Å; E151-N159 PolarHBondContact O-ND2 3.26Å; I152-N159 HydrophobicContact CG2-CB 4.05Å; N157-N159 PolarHBondContact O-N 2.89Å; N159-E161 PolarHBondContact O-N 3Å; N159-K162 HydrophobicContact CB-CB 4.47Å; N159-K162 HydrophobicContact CB-CD 3.9Å; N159-K162 HydrophobicContact CB-CG 4.21Å; N159-K162 PolarHBondContact O-N 3.42Å; N159-K162 WeakPolarHBondContact OD1-CD 3.09Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 PolarHBondContact OD1-NZ 2.83Å; N159-P163 WeakPolarHBondContact O-CD 3.29Å
160	F	92.7	Very high	96.7	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.022	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41	-166.9	-162.2	-118	0	0	0	113.7	F29 R32 H33 A154 N157 Y158 L185	F29-F160 AromaticContact CD2-CD2 3.69Å; F29-F160 HydrophobicContact CD2-CD2 3.69Å; F29-F160 AromaticContact CD2-CE2 3.35Å; F29-F160 HydrophobicContact CD2-CE2 3.35Å; F29-F160 HydrophobicContact CD2-CZ 4.23Å; F29-F160 AromaticContact CE2-CD2 3.6Å; F29-F160 HydrophobicContact CE2-CD2 3.6Å; F29-F160 AromaticContact CE2-CE2 3.7Å; F29-F160 HydrophobicContact CE2-CE2 3.7Å; F29-F160 HydrophobicContact CE2-CG 4.32Å; F29-F160 HydrophobicContact CE2-CZ 4.5Å; F29-F160 HydrophobicContact CG-CE2 4.22Å; F29-F160 VanDerWaalsContact O-CZ 3.3Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; R32-F160 HydrophobicContact CB-CE1 4.41Å; R32-F160 HydrophobicContact CB-CE2 4.32Å; R32-F160 HydrophobicContact CB-CZ 3.61Å; R32-F160 HydrophobicContact CG-CE1 4.14Å; R32-F160 HydrophobicContact CG-CE2 4.36Å; R32-F160 HydrophobicContact CG-CZ 3.66Å; H33-F160 HydrophobicContact CB-CE1 4.22Å; H33-F160 AromaticContact CD2-CD1 3.84Å; H33-F160 AromaticContact CD2-CE1 3.56Å; H33-F160 AromaticContact CE1-CD1 3.11Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.23Å; H33-F160 AromaticContact CE1-CD2 3.77Å; H33-F160 AromaticContact CE1-CE1 2.93Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.45Å; H33-F160 AromaticContact CE1-CE2 3.6Å; H33-F160 AromaticContact CE1-CG 3.52Å; H33-F160 AromaticContact CE1-CZ 3.16Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.47Å; H33-F160 PolarHBondContact CE1-O 3.04Å; H33-F160 AromaticContact CG-CE1 3.36Å; H33-F160 AromaticContact CG-CZ 3.76Å; H33-F160 AromaticContact ND1-CD1 3.72Å; H33-F160 AromaticContact ND1-CE1 3Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.34Å; H33-F160 AromaticContact ND1-CE2 3.76Å; H33-F160 AromaticContact ND1-CZ 3Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.07Å; H33-F160 AromaticContact NE2-CD1 3.21Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.28Å; H33-F160 AromaticContact NE2-CE1 3.31Å; H33-F160 VanDerWaalsContact NE2-CE1 3.31Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.39Å; H33-F160 AromaticContact NE2-CG 3.88Å; H33-F160 PolarHBondContact NE2-O 2.58Å; A154-F160 HydrophobicContact CB-CE2 4.33Å; N157-F160 WeakPolarHBondContact O-CB 3.33Å; N157-F160 PolarHBondContact O-N 3.13Å; Y158-F160 PolarHBondContact O-N 2.68Å; Y158-F160 VanDerWaalsContact O-N 3.09Å; F160-L185 HydrophobicContact CD1-CD1 3.7Å; F160-L185 HydrophobicContact CD1-CD2 3.82Å; F160-L185 HydrophobicContact CD1-CG 4.41Å; F160-L185 HydrophobicContact CE1-CD1 4.21Å; F160-L185 HydrophobicContact CE1-CD2 3.46Å; F160-L185 VanDerWaalsContact CE1-CD2 3.46Å; F160-L185 HydrophobicContact CE1-CG 4.49Å; F160-L185 HydrophobicContact CG-CD1 4.43Å; F160-L185 HydrophobicContact CZ-CD2 4.43Å
161	E	95.3	Very high	96.6	Very high	55 Å²	55	30.3 Å²	30.3	26%	0.257	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-15.8	-178.1	-64.7	177.6	143.1	0	0	113.8	N159 F164 L165 F179 V183	N159-E161 PolarHBondContact O-N 3Å; E161-F164 PolarHBondContact O-N 3.05Å; E161-F164 VanDerWaalsContact O-N 3.15Å; E161-L165 PolarHBondContact O-N 3.27Å; E161-F179 HydrophobicContact CB-CD2 4.16Å; E161-F179 HydrophobicContact CB-CE2 4.11Å; E161-V183 HydrophobicContact CG-CG2 4.28Å; E161-V183 VanDerWaalsContact OE1-CG2 3.29Å; E161-V183 WeakPolarHBondContact OE1-CG2 3.42Å; E161-V183 PolarHBondContact OE1-N 3.4Å
162	K	97.3	Very high	96.6	Very high	77 Å²	77	32.8 Å²	32.8	34%	0.335	16%	0.159	S	C	.	.	H	α-helix	trans	-56.8	-42.1	-173.9	-72.4	-168.6	177.8	165.6	0	113.5	Y150 N159 L165 Y166	Y150-K162 HydrophobicContact CD1-CB 4Å; Y150-K162 HydrophobicContact CD1-CD 3.77Å; Y150-K162 HydrophobicContact CD2-CB 3.95Å; Y150-K162 HydrophobicContact CE1-CB 3.97Å; Y150-K162 HydrophobicContact CE1-CD 3.72Å; Y150-K162 HydrophobicContact CE1-CG 4.4Å; Y150-K162 HydrophobicContact CE2-CB 3.9Å; Y150-K162 WeakPolarHBondContact CE2-O 3.44Å; Y150-K162 HydrophobicContact CG-CB 4Å; N159-K162 HydrophobicContact CB-CB 4.47Å; N159-K162 HydrophobicContact CB-CD 3.9Å; N159-K162 HydrophobicContact CB-CG 4.21Å; N159-K162 PolarHBondContact O-N 3.42Å; N159-K162 WeakPolarHBondContact OD1-CD 3.09Å; N159-K162 WeakPolarHBondContact OD1-CE 3.47Å; N159-K162 PolarHBondContact OD1-NZ 2.83Å; K162-L165 PolarHBondContact O-N 2.98Å; K162-Y166 PolarHBondContact O-N 3.35Å
163	P	98.5	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175.8	-25.6	36.2	0	0	0	112.5	F29 I90 V121 C123 Y150 I152 N159 Y166 L167	F29-P163 HydrophobicContact CZ-CG 4.21Å; I90-P163 HydrophobicContact CD1-CB 3.86Å; I90-P163 HydrophobicContact CG1-CB 4.47Å; V121-P163 HydrophobicContact CB-CB 4.46Å; V121-P163 HydrophobicContact CG1-CB 4.01Å; V121-P163 HydrophobicContact CG1-CG 4.43Å; C123-P163 VanDerWaalsContact SG-CG 3.5Å; Y150-P163 HydrophobicContact CD2-CG 4.17Å; I152-P163 HydrophobicContact CG2-CG 4.2Å; N159-P163 WeakPolarHBondContact O-CD 3.29Å; P163-Y166 PolarHBondContact O-N 3.37Å; P163-L167 VanDerWaalsContact O-CG 3.32Å; P163-L167 WeakPolarHBondContact O-CG 3.36Å; P163-L167 PolarHBondContact O-N 3.41Å
164	F	98.2	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-41.7	-179.6	-68.4	-79.6	0	0	0	111.9	L16 F29 H33 L53 F55 F64 I90 E161 Y166 L167 A168 F179	L16-F164 HydrophobicContact CD1-CD1 4.04Å; L16-F164 HydrophobicContact CD1-CE1 3.75Å; F29-F164 HydrophobicContact CD1-CE2 4.41Å; F29-F164 HydrophobicContact CE1-CD2 4.38Å; F29-F164 AromaticContact CE1-CE2 3.36Å; F29-F164 HydrophobicContact CE1-CE2 3.36Å; F29-F164 AromaticContact CE1-CZ 3.79Å; F29-F164 HydrophobicContact CE1-CZ 3.79Å; F29-F164 HydrophobicContact CZ-CD2 4.17Å; F29-F164 AromaticContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CE2 3.5Å; F29-F164 HydrophobicContact CZ-CZ 4.38Å; H33-F164 AromaticContact CD2-CE2 3.78Å; H33-F164 AromaticContact CE1-CD2 3.8Å; H33-F164 AromaticContact CE1-CE2 3.29Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.36Å; H33-F164 AromaticContact CG-CE2 3.93Å; H33-F164 AromaticContact ND1-CE2 3.6Å; H33-F164 AromaticContact NE2-CD2 3.46Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.25Å; H33-F164 AromaticContact NE2-CE2 3.39Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.2Å; L53-F164 HydrophobicContact CD1-CE1 3.89Å; L53-F164 HydrophobicContact CD1-CZ 3.68Å; F55-F164 HydrophobicContact CE1-CB 3.99Å; F55-F164 HydrophobicContact CE1-CD2 4.35Å; F55-F164 HydrophobicContact CE1-CG 4.1Å; F55-F164 HydrophobicContact CE2-CB 4.19Å; F55-F164 AromaticContact CE2-CD1 3.68Å; F55-F164 HydrophobicContact CE2-CD1 3.68Å; F55-F164 HydrophobicContact CE2-CE1 4.18Å; F55-F164 AromaticContact CE2-CG 3.92Å; F55-F164 HydrophobicContact CE2-CG 3.92Å; F55-F164 HydrophobicContact CZ-CB 3.74Å; F55-F164 AromaticContact CZ-CD1 3.64Å; F55-F164 HydrophobicContact CZ-CD1 3.64Å; F55-F164 AromaticContact CZ-CD2 3.77Å; F55-F164 HydrophobicContact CZ-CD2 3.77Å; F55-F164 HydrophobicContact CZ-CE1 4.13Å; F55-F164 HydrophobicContact CZ-CE2 4.27Å; F55-F164 AromaticContact CZ-CG 3.42Å; F55-F164 HydrophobicContact CZ-CG 3.42Å; F55-F164 VanDerWaalsContact CZ-CG 3.42Å; F55-F164 HydrophobicContact CZ-CZ 4.43Å; 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 4.37Å; F64-F164 HydrophobicContact CE2-CD1 4.02Å; F64-F164 HydrophobicContact CG-CD1 4.21Å; I90-F164 HydrophobicContact CD1-CZ 4.39Å; E161-F164 PolarHBondContact O-N 3.05Å; E161-F164 VanDerWaalsContact O-N 3.15Å; F164-Y166 PolarHBondContact O-N 2.93Å; F164-L167 PolarHBondContact O-N 3.16Å; F164-A168 VanDerWaalsContact O-CB 3.28Å; F164-A168 WeakPolarHBondContact O-CB 3.47Å; F164-A168 PolarHBondContact O-N 3.42Å; F164-F179 HydrophobicContact CB-CE2 4.15Å; F164-F179 HydrophobicContact CB-CZ 3.98Å
165	L	98.2	Very high	96.6	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-43.1	178.5	179.6	57.7	0	0	0	112	E161 K162 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 3.27Å; K162-L165 PolarHBondContact O-N 2.98Å; L165-A168 PolarHBondContact O-N 3.11Å; L165-R169 HydrophobicContact CD1-CG 4.41Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.28Å; L165-R169 PolarHBondContact O-N 2.92Å; L165-L177 HydrophobicContact CD1-CD2 3.86Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.76Å; L165-F179 HydrophobicContact CB-CZ 3.95Å; L165-F179 HydrophobicContact CD1-CD1 4.21Å; L165-F179 HydrophobicContact CD1-CE1 4.13Å; L165-F179 HydrophobicContact CD1-CE2 4.46Å; L165-F179 HydrophobicContact CD1-CG 4.4Å; L165-F179 HydrophobicContact CD1-CZ 4.27Å
166	Y	98.6	Very high	96.8	Very high	43 Å²	43	45 Å²	45	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-46.6	175.2	174.3	-91.6	0	0	0	111.6	V121 Q148 K162 P163 F164 R169 K170	V121-Y166 HydrophobicContact CG2-CD1 3.4Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.4Å; V121-Y166 HydrophobicContact CG2-CE1 4.01Å; V121-Y166 HydrophobicContact CG2-CG 4.24Å; Q148-Y166 HydrophobicContact CB-CD1 3.87Å; Q148-Y166 HydrophobicContact CB-CD2 3.93Å; Q148-Y166 HydrophobicContact CB-CE1 3.57Å; Q148-Y166 HydrophobicContact CB-CE2 3.65Å; Q148-Y166 HydrophobicContact CB-CG 4.03Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.22Å; Q148-Y166 HydrophobicContact CG-CD2 3.71Å; Q148-Y166 HydrophobicContact CG-CE1 4.35Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.89Å; K162-Y166 PolarHBondContact O-N 3.35Å; P163-Y166 PolarHBondContact O-N 3.37Å; F164-Y166 PolarHBondContact O-N 2.93Å; Y166-R169 PolarHBondContact O-N 3.49Å; Y166-K170 HydrophobicContact CD1-CG 4.28Å; Y166-K170 HydrophobicContact CE1-CG 3.81Å; Y166-K170 HydrophobicContact CE2-CG 4.21Å; Y166-K170 WeakPolarHBondContact O-CG 3.46Å; Y166-K170 PolarHBondContact O-N 3.25Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å
167	L	98.6	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-43.7	178.6	-69.3	177.5	0	0	0	111.5	L16 F64 C88 I90 P119 V121 P163 F164 R169 K170 L171	L16-L167 HydrophobicContact CD1-CD1 3.56Å; L16-L167 HydrophobicContact CG-CD1 4.43Å; F64-L167 HydrophobicContact CE1-CB 4.3Å; F64-L167 HydrophobicContact CZ-CB 4.1Å; C88-L167 HydrophobicContact CB-CD1 4.14Å; C88-L167 HydrophobicContact CB-CD2 3.82Å; C88-L167 HydrophobicContact CB-CG 4.38Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.95Å; P119-L167 HydrophobicContact CB-CD2 3.87Å; P119-L167 HydrophobicContact CG-CD2 4.28Å; P119-L167 WeakPolarHBondContact O-CD2 3.44Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; V121-L167 HydrophobicContact CG2-CD2 3.76Å; V121-L167 HydrophobicContact CG2-CG 3.76Å; P163-L167 VanDerWaalsContact O-CG 3.32Å; P163-L167 WeakPolarHBondContact O-CG 3.36Å; P163-L167 PolarHBondContact O-N 3.41Å; F164-L167 PolarHBondContact O-N 3.16Å; L167-R169 PolarHBondContact O-N 3.37Å; L167-K170 PolarHBondContact O-N 3.02Å; L167-L171 WeakPolarHBondContact O-CB 3.13Å; L167-L171 WeakPolarHBondContact O-CD1 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.97Å
168	A	98.2	Very high	97.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-47.8	176.4	0	0	0	0	0	111.8	I62 F64 F164 L165 K170 L171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.35Å; F64-A168 HydrophobicContact CE2-CB 4.47Å; F64-A168 HydrophobicContact CZ-CB 4.25Å; F164-A168 VanDerWaalsContact O-CB 3.28Å; F164-A168 WeakPolarHBondContact O-CB 3.47Å; F164-A168 PolarHBondContact O-N 3.42Å; L165-A168 PolarHBondContact O-N 3.11Å; A168-K170 PolarHBondContact O-N 2.83Å; A168-L171 PolarHBondContact O-N 3.08Å; A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 2.96Å; A168-L177 HydrophobicContact CB-CD2 3.76Å; A168-F179 HydrophobicContact CB-CE1 4.31Å
169	R	98.4	Very high	97.2	Very high	85 Å²	85	47.3 Å²	47.3	32%	0.321	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-45.9	175.6	-72.7	171.7	172.8	169.5	-2.3	112.2	L165 Y166 L167 G173 D174 P175 L177	L165-R169 HydrophobicContact CD1-CG 4.41Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.28Å; L165-R169 PolarHBondContact O-N 2.92Å; Y166-R169 PolarHBondContact O-N 3.49Å; L167-R169 PolarHBondContact O-N 3.37Å; R169-G173 PolarHBondContact O-N 3.16Å; R169-D174 WeakPolarHBondContact CA-O 3.25Å; R169-D174 WeakPolarHBondContact CB-O 3.24Å; R169-D174 WeakPolarHBondContact CG-O 3.46Å; R169-D174 PolarHBondContact O-N 3.21Å; R169-D174 VanDerWaalsContact O-N 3.14Å; R169-P175 PolarHBondContact NE-O 3.34Å; R169-L177 HydrophobicContact CG-CB 4.02Å; R169-L177 HydrophobicContact CG-CD2 4.38Å; R169-L177 VanDerWaalsContact CZ-O 3.29Å; R169-L177 PolarHBondContact NE-O 2.78Å; R169-L177 PolarHBondContact NH2-O 3.27Å
170	K	98.1	Very high	97.3	Very high	121 Å²	121	49.7 Å²	49.7	53%	0.526	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-41.6	179.6	-73.8	-63.3	-171.9	-179.9	0	112.5	P119 Y166 L167 A168 G173	P119-K170 HydrophobicContact CB-CB 3.83Å; P119-K170 HydrophobicContact CB-CG 4.26Å; P119-K170 HydrophobicContact CG-CB 4.19Å; Y166-K170 HydrophobicContact CD1-CG 4.28Å; Y166-K170 HydrophobicContact CE1-CG 3.81Å; Y166-K170 HydrophobicContact CE2-CG 4.21Å; Y166-K170 WeakPolarHBondContact O-CG 3.46Å; Y166-K170 PolarHBondContact O-N 3.25Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; L167-K170 PolarHBondContact O-N 3.02Å; A168-K170 PolarHBondContact O-N 2.83Å; K170-G173 PolarHBondContact O-N 3.44Å
171	L	97.1	Very high	97.2	Very high	44 Å²	44	55.3 Å²	55.3	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-73.2	-36.6	-179.4	-70.6	165.3	0	0	0	112.6	F14 F64 Q87 C88 P119 L167 A168 G173	F14-L171 HydrophobicContact CB-CD1 4Å; F14-L171 HydrophobicContact CD1-CB 4.21Å; F14-L171 HydrophobicContact CD1-CD1 3.86Å; F14-L171 HydrophobicContact CD1-CD2 3.98Å; F14-L171 HydrophobicContact CD1-CG 4.25Å; F14-L171 HydrophobicContact CD2-CD1 4.08Å; F14-L171 HydrophobicContact CE1-CB 3.87Å; F14-L171 HydrophobicContact CE1-CD1 4.36Å; F14-L171 HydrophobicContact CE1-CD2 4.25Å; F14-L171 HydrophobicContact CE1-CG 4.39Å; F14-L171 HydrophobicContact CE2-CB 4.4Å; F14-L171 HydrophobicContact CG-CD1 3.71Å; F14-L171 HydrophobicContact CZ-CB 3.97Å; F64-L171 HydrophobicContact CE1-CD1 3.61Å; F64-L171 HydrophobicContact CZ-CD1 4.17Å; Q87-L171 HydrophobicContact CB-CD2 4.34Å; C88-L171 HydrophobicContact CB-CD1 4.02Å; P119-L171 HydrophobicContact CG-CD2 3.98Å; P119-L171 HydrophobicContact CG-CG 4.15Å; L167-L171 WeakPolarHBondContact O-CB 3.13Å; L167-L171 WeakPolarHBondContact O-CD1 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; L167-L171 PolarHBondContact O-N 2.97Å; A168-L171 PolarHBondContact O-N 3.08Å; L171-G173 VanDerWaalsContact C-N 3.32Å
172	A	96.2	Very high	96.8	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-78.4	-16.7	175.9	0	0	0	0	0	113.1	A168 D174 L177	A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 2.96Å; A172-D174 HydrophobicContact CB-CB 4.44Å; A172-D174 PolarHBondContact O-N 3.17Å; A172-L177 HydrophobicContact CB-CD1 3.74Å
173	G	96.7	Very high	96.1	Very high	66 Å²	66	54.5 Å²	54.5	68%	0.68	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	18.6	-171.9	0	0	0	0	0	113.4	R169 K170 L171	R169-G173 PolarHBondContact O-N 3.16Å; K170-G173 PolarHBondContact O-N 3.44Å; L171-G173 VanDerWaalsContact C-N 3.32Å
174	D	97.5	Very high	95.6	Very high	41 Å²	41	58.9 Å²	58.9	22%	0.219	35%	0.348	C	S	.	.			trans	-119.5	108.5	-177.7	-178.5	7.2	0	0	0	110.9	R169 A172 N176 L177	R169-D174 WeakPolarHBondContact CA-O 3.25Å; R169-D174 WeakPolarHBondContact CB-O 3.24Å; R169-D174 WeakPolarHBondContact CG-O 3.46Å; R169-D174 PolarHBondContact O-N 3.21Å; R169-D174 VanDerWaalsContact O-N 3.14Å; A172-D174 HydrophobicContact CB-CB 4.44Å; A172-D174 PolarHBondContact O-N 3.17Å; D174-N176 PolarHBondContact O-N 3.44Å; D174-N176 WeakPolarHBondContact OD1-CA 3.18Å; D174-N176 WeakPolarHBondContact OD1-CB 3.3Å; D174-N176 PolarHBondContact OD1-N 3.02Å; D174-L177 HydrophobicContact CB-CB 4.23Å; D174-L177 WeakPolarHBondContact O-CB 3.41Å; D174-L177 PolarHBondContact O-N 2.93Å
175	P	97.1	Very high	95	Very high	95 Å²	95	61.3 Å²	61.3	62%	0.617	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19	176.6	29	-34.2	0	0	0	113.8	R169	R169-P175 PolarHBondContact NE-O 3.34Å
176	N	97.8	Very high	94.5	Very high	121 Å²	121	64.7 Å²	64.7	65%	0.647	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.7	-178.8	-58.6	-54.7	0	0	0	113.1	D174 H178	D174-N176 PolarHBondContact O-N 3.44Å; D174-N176 WeakPolarHBondContact OD1-CA 3.18Å; D174-N176 WeakPolarHBondContact OD1-CB 3.3Å; D174-N176 PolarHBondContact OD1-N 3.02Å; N176-H178 PolarHBondContact O-N 3.22Å; N176-H178 PolarHBondContact O-ND1 3.37Å; N176-H178 VanDerWaalsContact O-ND1 3.08Å
177	L	98.1	Very high	93.9	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	40%	0.4	C	S	.	.			trans	-54.4	131.9	174.6	-175.6	154.8	0	0	0	109.6	T57 N58 L165 A168 R169 A172 D174 F179	T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.86Å; T57-L177 HydrophobicContact CG2-CG 4.17Å; N58-L177 WeakPolarHBondContact OD1-CA 3.31Å; L165-L177 HydrophobicContact CD1-CD2 3.86Å; A168-L177 HydrophobicContact CB-CD2 3.76Å; R169-L177 HydrophobicContact CG-CB 4.02Å; R169-L177 HydrophobicContact CG-CD2 4.38Å; R169-L177 VanDerWaalsContact CZ-O 3.29Å; R169-L177 PolarHBondContact NE-O 2.78Å; R169-L177 PolarHBondContact NH2-O 3.27Å; A172-L177 HydrophobicContact CB-CD1 3.74Å; D174-L177 HydrophobicContact CB-CB 4.23Å; D174-L177 WeakPolarHBondContact O-CB 3.41Å; D174-L177 PolarHBondContact O-N 2.93Å; L177-F179 HydrophobicContact CD2-CE1 4.49Å
178	H	97.4	Very high	93.3	Very high	87 Å²	87	71 Å²	71	40%	0.403	42%	0.42	S	S	.	.			trans	-144.1	152.1	175.5	59.7	-81.9	0	0	0	110.7	T57 N58 N176	T57-H178 CarbonylContact C-O 3.57Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.34Å; N58-H178 VanDerWaalsContact CB-CE1 3.46Å; N58-H178 WeakPolarHBondContact CB-CE1 3.18Å; N58-H178 PolarHBondContact N-O 3.45Å; N58-H178 PolarHBondContact OD1-N 2.78Å; N58-H178 PolarHBondContact OD1-O 3.42Å; N176-H178 PolarHBondContact O-N 3.22Å; N176-H178 PolarHBondContact O-ND1 3.37Å; N176-H178 VanDerWaalsContact O-ND1 3.08Å
179	F	96.9	Very high	92.7	Very high	30 Å²	30	74.5 Å²	74.5	13%	0.132	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-72.8	132.7	172.7	-58.1	-28.2	0	0	0	109.3	F55 T56 T57 I62 E161 F164 L165 A168 L177	F55-F179 HydrophobicContact CB-CD1 3.96Å; F55-F179 HydrophobicContact CB-CE1 3.62Å; F55-F179 HydrophobicContact CB-CZ 3.99Å; F55-F179 HydrophobicContact CD1-CD1 4.42Å; F55-F179 AromaticContact CD1-CD2 3.98Å; F55-F179 HydrophobicContact CD1-CD2 3.98Å; F55-F179 HydrophobicContact CD1-CE1 4.02Å; F55-F179 AromaticContact CD1-CE2 3.5Å; F55-F179 HydrophobicContact CD1-CE2 3.5Å; F55-F179 HydrophobicContact CD1-CG 4.42Å; F55-F179 AromaticContact CD1-CZ 3.53Å; F55-F179 HydrophobicContact CD1-CZ 3.53Å; F55-F179 AromaticContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CE2 3.91Å; F55-F179 HydrophobicContact CE1-CZ 4.15Å; F55-F179 AromaticContact CG-CE1 3.98Å; F55-F179 HydrophobicContact CG-CE1 3.98Å; F55-F179 HydrophobicContact CG-CE2 4.25Å; F55-F179 AromaticContact CG-CZ 3.8Å; F55-F179 HydrophobicContact CG-CZ 3.8Å; T56-F179 WeakPolarHBondContact O-CA 2.96Å; T57-F179 HydrophobicContact CG2-CD1 4.02Å; T57-F179 HydrophobicContact CG2-CE1 4.18Å; I62-F179 HydrophobicContact CD1-CE1 4.27Å; E161-F179 HydrophobicContact CB-CD2 4.16Å; E161-F179 HydrophobicContact CB-CE2 4.11Å; F164-F179 HydrophobicContact CB-CE2 4.15Å; F164-F179 HydrophobicContact CB-CZ 3.98Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.76Å; L165-F179 HydrophobicContact CB-CZ 3.95Å; L165-F179 HydrophobicContact CD1-CD1 4.21Å; L165-F179 HydrophobicContact CD1-CE1 4.13Å; L165-F179 HydrophobicContact CD1-CE2 4.46Å; L165-F179 HydrophobicContact CD1-CG 4.4Å; L165-F179 HydrophobicContact CD1-CZ 4.27Å; A168-F179 HydrophobicContact CB-CE1 4.31Å; L177-F179 HydrophobicContact CD2-CE1 4.49Å
180	V	96.8	Very high	92.3	Very high	76 Å²	76	72.1 Å²	72.1	46%	0.461	43%	0.431	S	S	.	.	S	Bend	trans	-99.3	-13	179.9	-65.4	0	0	0	0	112.3	T56 N58	T56-V180 HydrophobicContact CG2-CG2 3.49Å; T56-V180 VanDerWaalsContact CG2-CG2 3.49Å; T56-V180 WeakPolarHBondContact O-CG2 3.35Å; T56-V180 PolarHBondContact O-N 3.44Å; N58-V180 HydrophobicContact CB-CG1 3.95Å
181	E	91	Very high	91.9	Very high	122 Å²	122	72 Å²	72	57%	0.57	44%	0.443	S	S	*	.	S	Bend	trans	-127.3	132.8	174.8	-68.5	171.1	171.6	0	0	107.9	T56	T56-E181 VanDerWaalsContact CB-OE2 3.27Å; T56-E181 WeakPolarHBondContact CB-OE2 3.01Å; T56-E181 PolarHBondContact OG1-OE2 3.13Å
182	A	85.5	Confident	91.7	Very high	85 Å²	85	71.6 Å²	71.6	70%	0.702	44%	0.441	S	S	*	.			trans	-74.3	144.6	170.4	0	0	0	0	0	109.6	A184	A182-A184 PolarHBondContact O-N 3.21Å
183	V	83.5	Confident	91.5	Very high	30 Å²	30	72.3 Å²	72.3	18%	0.182	44%	0.437	C	S	.	.			trans	-58.2	137.7	171.4	177.3	0	0	0	0	109.7	H33 F55 E161 L185	H33-V183 WeakPolarHBondContact O-CG1 3.15Å; F55-V183 HydrophobicContact CD1-CG2 4.25Å; F55-V183 HydrophobicContact CE1-CG2 3.85Å; E161-V183 HydrophobicContact CG-CG2 4.28Å; E161-V183 VanDerWaalsContact OE1-CG2 3.29Å; E161-V183 WeakPolarHBondContact OE1-CG2 3.42Å; E161-V183 PolarHBondContact OE1-N 3.4Å; V183-L185 HydrophobicContact CB-CD2 4.22Å; V183-L185 HydrophobicContact CB-CG 4.21Å; V183-L185 HydrophobicContact CG1-CD2 3.63Å; V183-L185 HydrophobicContact CG1-CG 4.08Å; V183-L185 WeakPolarHBondContact O-CG 3.34Å; V183-L185 PolarHBondContact O-N 3.49Å
184	A	87.7	Confident	91.4	Very high	92 Å²	92	74.2 Å²	74.2	76%	0.76	43%	0.43	S	S	*	.			trans	-71.2	76.6	179.4	0	0	0	0	0	111.5	G36 A182	G36-A184 WeakPolarHBondContact CA-O 3.49Å; A182-A184 PolarHBondContact O-N 3.21Å
185	L	85.9	Confident	91.2	Very high	51 Å²	51	75.4 Å²	75.4	27%	0.267	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-87.3	136.5	-178.1	-57.9	175.9	0	0	0	111.4	R32 N157 F160 V183	R32-L185 HydrophobicContact CG-CD2 4.14Å; R32-L185 WeakPolarHBondContact O-CD2 3.38Å; N157-L185 HydrophobicContact CB-CD1 3.94Å; F160-L185 HydrophobicContact CD1-CD1 3.7Å; F160-L185 HydrophobicContact CD1-CD2 3.82Å; F160-L185 HydrophobicContact CD1-CG 4.41Å; F160-L185 HydrophobicContact CE1-CD1 4.21Å; F160-L185 HydrophobicContact CE1-CD2 3.46Å; F160-L185 VanDerWaalsContact CE1-CD2 3.46Å; F160-L185 HydrophobicContact CE1-CG 4.49Å; F160-L185 HydrophobicContact CG-CD1 4.43Å; F160-L185 HydrophobicContact CZ-CD2 4.43Å; V183-L185 HydrophobicContact CB-CD2 4.22Å; V183-L185 HydrophobicContact CB-CG 4.21Å; V183-L185 HydrophobicContact CG1-CD2 3.63Å; V183-L185 HydrophobicContact CG1-CG 4.08Å; V183-L185 WeakPolarHBondContact O-CG 3.34Å; V183-L185 PolarHBondContact O-N 3.49Å
186	K	86.6	Confident	91	Very high	105 Å²	105	73.4 Å²	73.4	46%	0.457	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-67	153.2	164.3	-65.7	-164.4	-176.8	176.6	0	110.1	R32 G36 E37 N157	R32-K186 PolarHBondContact NH2-O 3.42Å; G36-K186 VanDerWaalsContact O-CB 3.28Å; G36-K186 WeakPolarHBondContact O-CB 3.3Å; G36-K186 PolarHBondContact O-N 3.02Å; E37-K186 HydrophobicContact CG-CD 3.93Å; E37-K186 WeakPolarHBondContact OE1-CE 3.34Å; E37-K186 IonicContact OE1-NZ 2.57Å; E37-K186 PolarHBondContact OE1-NZ 3.32Å; N157-K186 PolarHBondContact ND2-O 3.06Å
187	P	87.5	Confident	90.7	Very high	109 Å²	109	67.7 Å²	67.7	71%	0.708	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-48.5	145.4	178	-28.9	35.2	0	0	0	112.7	R32	R32-P187 PolarHBondContact NH2-O 3.04Å
188	P	86.6	Confident	90.5	Very high	66 Å²	66	73.8 Å²	73.8	43%	0.429	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.7	142	179.8	27.8	-34.9	0	0	0	111	V190	P188-V190 VanDerWaalsContact C-N 3.26Å; P188-V190 PolarHBondContact O-N 2.9Å
189	E	85.3	Confident	90.3	Very high	75 Å²	75	75.1 Å²	75.1	35%	0.35	43%	0.433	S	S	.	.	S	Bend	trans	-75.1	-22.9	176.9	-63.4	-155.6	161	0	0	112.7	F38 K40 K155	F38-E189 HydrophobicContact CB-CG 4.11Å; F38-E189 HydrophobicContact CD1-CG 3.99Å; F38-E189 WeakPolarHBondContact CD1-OE1 3.46Å; F38-E189 WeakPolarHBondContact CD1-OE2 3.45Å; F38-E189 HydrophobicContact CG-CG 4.2Å; K40-E189 WeakPolarHBondContact CE-OE1 3.45Å; K40-E189 VanDerWaalsContact CE-OE2 3.28Å; K40-E189 WeakPolarHBondContact CE-OE2 3.23Å; K40-E189 IonicContact NZ-OE1 3.68Å; K155-E189 WeakPolarHBondContact CE-OE2 3.25Å; K155-E189 HydrophobicContact CG-CB 4.04Å; K155-E189 PolarHBondContact O-N 3.43Å
190	V	89.1	Confident	90.1	Very high	35 Å²	35	74.7 Å²	74.7	21%	0.212	43%	0.432	C	S	.	.	S	Bend	trans	-136.7	139.3	177.9	-63.1	0	0	0	0	109.1	D128 K155 S156 P188	D128-V190 HydrophobicContact CB-CG2 3.78Å; K155-V190 HydrophobicContact CB-CG2 4.24Å; K155-V190 HydrophobicContact CD-CG1 4.03Å; K155-V190 HydrophobicContact CD-CG2 3.78Å; K155-V190 HydrophobicContact CG-CG2 3.85Å; S156-V190 VanDerWaalsContact CB-O 3.29Å; S156-V190 WeakPolarHBondContact CB-O 3.3Å; P188-V190 VanDerWaalsContact C-N 3.26Å; P188-V190 PolarHBondContact O-N 2.9Å
191	P	89.9	Confident	89.9	Confident	119 Å²	119	75 Å²	75	77%	0.773	43%	0.428	S	S	*	.			trans	-65.3	147.3	169.4	29.7	-33.9	0	0	0	109.7
192	I	92.4	Very high	90	Very high	36 Å²	36	72.1 Å²	72.1	19%	0.185	43%	0.425	C	S	.	.			trans	-92.2	134.8	170.1	-167.2	69.5	0	0	0	109.4	V127 D128 Y158 L194 Q197	V127-I192 HydrophobicContact CG2-CD1 4.11Å; D128-I192 HydrophobicContact CB-CD1 4.08Å; Y158-I192 HydrophobicContact CD2-CG1 3.98Å; Y158-I192 HydrophobicContact CD2-CG2 4.22Å; Y158-I192 HydrophobicContact CG-CD1 4.39Å; Y158-I192 HydrophobicContact CG-CG1 3.99Å; I192-L194 HydrophobicContact CG2-CD2 3.77Å; I192-L194 HydrophobicContact CG2-CG 4.22Å; I192-L194 PolarHBondContact O-N 2.77Å; I192-L194 VanDerWaalsContact O-N 3.13Å; I192-Q197 HydrophobicContact CD1-CG 4.11Å; I192-Q197 HydrophobicContact CG1-CG 3.7Å
193	D	93.3	Very high	90.3	Very high	74 Å²	74	71 Å²	71	40%	0.396	41%	0.405	S	S	.	.			trans	-78	94.4	173.3	-174.8	-22.5	0	0	0	109.5	A195 M196 Q197	D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 3.2Å; D193-A195 PolarHBondContact OD1-N 2.91Å; D193-M196 HydrophobicContact CB-CB 3.91Å; D193-M196 PolarHBondContact O-N 3.21Å; D193-M196 PolarHBondContact OD1-N 2.75Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 2.64Å
194	L	92.8	Very high	90.7	Very high	105 Å²	105	71.1 Å²	71.1	55%	0.55	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-32.8	-176.7	-67.8	175.8	0	0	0	113	Y158 I192 Q197 Q198	Y158-L194 HydrophobicContact CE2-CD2 4.37Å; I192-L194 HydrophobicContact CG2-CD2 3.77Å; I192-L194 HydrophobicContact CG2-CG 4.22Å; I192-L194 PolarHBondContact O-N 2.77Å; I192-L194 VanDerWaalsContact O-N 3.13Å; L194-Q197 PolarHBondContact O-N 3.45Å; L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 VanDerWaalsContact O-CG 3.3Å; L194-Q198 WeakPolarHBondContact O-CG 3.36Å; L194-Q198 PolarHBondContact O-N 2.89Å
195	A	94.2	Very high	90.8	Very high	66 Å²	66	70 Å²	70	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-42.6	177.9	0	0	0	0	0	110.4	D193 Q198 Q199	D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 3.2Å; D193-A195 PolarHBondContact OD1-N 2.91Å; A195-Q198 PolarHBondContact O-N 3.11Å; A195-Q199 PolarHBondContact O-N 2.98Å
196	M	92.2	Very high	91	Very high	53 Å²	53	70.1 Å²	70.1	26%	0.261	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-41.3	173.4	-173.1	-174.7	-64.5	0	0	111.9	D193 Q199 H200	D193-M196 HydrophobicContact CB-CB 3.91Å; D193-M196 PolarHBondContact O-N 3.21Å; D193-M196 PolarHBondContact OD1-N 2.75Å; M196-Q199 WeakPolarHBondContact O-CB 3.35Å; M196-Q199 PolarHBondContact O-N 2.82Å; M196-H200 PolarHBondContact O-N 2.69Å
197	Q	92.7	Very high	91.1	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.009	39%	0.388	C	S	.	.	H	α-helix	trans	-66.7	-39.1	177.9	-59.9	-44.1	-52	0	0	112.4	V127 Y158 I192 D193 L194 Q199 H200 E201	V127-Q197 PolarHBondContact O-NE2 2.81Å; Y158-Q197 HydrophobicContact CD1-CG 4.4Å; Y158-Q197 HydrophobicContact CD2-CG 4.42Å; Y158-Q197 HydrophobicContact CE1-CB 4.2Å; Y158-Q197 HydrophobicContact CE1-CG 3.93Å; Y158-Q197 HydrophobicContact CE2-CB 4.1Å; Y158-Q197 HydrophobicContact CE2-CG 3.98Å; Y158-Q197 WeakPolarHBondContact OH-CB 3.48Å; I192-Q197 HydrophobicContact CD1-CG 4.11Å; I192-Q197 HydrophobicContact CG1-CG 3.7Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 2.64Å; L194-Q197 PolarHBondContact O-N 3.45Å; Q197-Q199 VanDerWaalsContact C-N 3.27Å; Q197-Q199 PolarHBondContact O-N 3.07Å; Q197-H200 PolarHBondContact O-N 3.16Å; Q197-H200 VanDerWaalsContact O-N 3.17Å; Q197-E201 WeakPolarHBondContact O-CG 3.41Å; Q197-E201 PolarHBondContact O-N 2.63Å
198	Q	93.8	Very high	91	Very high	132 Å²	132	63.1 Å²	63.1	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-61	-38.4	173.4	-74.9	172.5	-7.7	0	0	111.7	L194 A195 E201 A202	L194-Q198 WeakPolarHBondContact O-CB 3.31Å; L194-Q198 VanDerWaalsContact O-CG 3.3Å; L194-Q198 WeakPolarHBondContact O-CG 3.36Å; L194-Q198 PolarHBondContact O-N 2.89Å; A195-Q198 PolarHBondContact O-N 3.11Å; Q198-E201 PolarHBondContact O-N 2.95Å; Q198-A202 WeakPolarHBondContact O-CB 3.03Å; Q198-A202 PolarHBondContact O-N 3.49Å
199	Q	93.6	Very high	90.9	Very high	114 Å²	114	64.3 Å²	64.3	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-44.7	173.3	-174.6	-179.2	-7.2	0	0	111.6	A195 M196 Q197 E201 A202 E203	A195-Q199 PolarHBondContact O-N 2.98Å; M196-Q199 WeakPolarHBondContact O-CB 3.35Å; M196-Q199 PolarHBondContact O-N 2.82Å; Q197-Q199 VanDerWaalsContact C-N 3.27Å; Q197-Q199 PolarHBondContact O-N 3.07Å; Q199-E201 PolarHBondContact O-N 2.98Å; Q199-A202 PolarHBondContact O-N 2.93Å; Q199-E203 WeakPolarHBondContact O-CG 3.49Å; Q199-E203 PolarHBondContact O-N 3.45Å
200	H	92.4	Very high	90.9	Very high	22 Å²	22	66.7 Å²	66.7	10%	0.102	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175.9	-64.4	156.9	0	0	0	112.3	R132 A136 E151 M196 Q197 A202 E203 L204	R132-H200 PolarHBondContact NH1-ND1 3.04Å; A136-H200 HydrophobicContact CB-CB 4.21Å; E151-H200 IonicContact OE2-CG 3.55Å; E151-H200 IonicContact OE2-ND1 2.79Å; M196-H200 PolarHBondContact O-N 2.69Å; Q197-H200 PolarHBondContact O-N 3.16Å; Q197-H200 VanDerWaalsContact O-N 3.17Å; H200-A202 VanDerWaalsContact C-N 3.34Å; H200-A202 PolarHBondContact O-N 2.79Å; H200-E203 PolarHBondContact O-N 2.9Å; H200-L204 WeakPolarHBondContact O-CG 3.48Å; H200-L204 PolarHBondContact O-N 3.25Å
201	E	92.6	Very high	90.6	Very high	83 Å²	83	70.7 Å²	70.7	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-41.4	175.1	-73.9	-176.5	169.5	0	0	111.5	Y158 Q197 Q198 Q199 L204 A205	Y158-E201 PolarHBondContact OH-OE1 3.35Å; Q197-E201 WeakPolarHBondContact O-CG 3.41Å; Q197-E201 PolarHBondContact O-N 2.63Å; Q198-E201 PolarHBondContact O-N 2.95Å; Q199-E201 PolarHBondContact O-N 2.98Å; E201-L204 PolarHBondContact O-N 3.23Å; E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 3.03Å
202	A	93.5	Very high	90.2	Very high	60 Å²	60	68 Å²	68	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-41.1	174.2	0	0	0	0	0	112.3	Q198 Q199 H200 A205 A206	Q198-A202 WeakPolarHBondContact O-CB 3.03Å; Q198-A202 PolarHBondContact O-N 3.49Å; Q199-A202 PolarHBondContact O-N 2.93Å; H200-A202 VanDerWaalsContact C-N 3.34Å; H200-A202 PolarHBondContact O-N 2.79Å; A202-A205 PolarHBondContact O-N 3.14Å; A202-A206 WeakPolarHBondContact O-CB 3.28Å; A202-A206 PolarHBondContact O-N 3.34Å
203	E	91.8	Very high	89.4	Confident	62 Å²	62	70 Å²	70	29%	0.29	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-40.6	174.7	-75.1	-177.1	-168.3	0	0	112.2	A136 Q199 H200 A207	A136-E203 HydrophobicContact CB-CB 3.91Å; Q199-E203 WeakPolarHBondContact O-CG 3.49Å; Q199-E203 PolarHBondContact O-N 3.45Å; H200-E203 PolarHBondContact O-N 2.9Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 2.74Å; E203-A207 PolarHBondContact O-N 2.62Å
204	L	90.4	Very high	88.2	Confident	32 Å²	32	73.6 Å²	73.6	17%	0.168	44%	0.441	C	S	.	.	H	α-helix	trans	-63.8	-45.7	174.9	-75	167.3	0	0	0	111.6	A136 Y149 E151 H200 E201 A207 A208	A136-L204 HydrophobicContact CB-CD2 4.13Å; A136-L204 HydrophobicContact CB-CG 3.87Å; A136-L204 WeakPolarHBondContact O-CD2 3.5Å; Y149-L204 HydrophobicContact CD1-CD1 4.06Å; Y149-L204 HydrophobicContact CD1-CD2 3.95Å; Y149-L204 HydrophobicContact CE1-CD1 3.64Å; Y149-L204 HydrophobicContact CE1-CD2 3.6Å; Y149-L204 HydrophobicContact CE1-CG 4.28Å; E151-L204 HydrophobicContact CG-CD1 4.29Å; H200-L204 WeakPolarHBondContact O-CG 3.48Å; H200-L204 PolarHBondContact O-N 3.25Å; E201-L204 PolarHBondContact O-N 3.23Å; L204-A207 PolarHBondContact O-N 2.97Å; L204-A208 WeakPolarHBondContact O-CB 3.25Å; L204-A208 PolarHBondContact O-N 3.5Å
205	A	90.2	Very high	86.5	Confident	68 Å²	68	73.1 Å²	73.1	56%	0.562	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-43.1	177.8	0	0	0	0	0	111.6	E201 A202 A208 A209	E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 3.03Å; A202-A205 PolarHBondContact O-N 3.14Å; A205-A208 PolarHBondContact O-N 2.86Å; A205-A209 PolarHBondContact O-N 2.57Å
206	A	91.1	Very high	84.3	Confident	55 Å²	55	76.5 Å²	76.5	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175.9	0	0	0	0	0	112	A202 A208 A209	A202-A206 WeakPolarHBondContact O-CB 3.28Å; A202-A206 PolarHBondContact O-N 3.34Å; A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.33Å; A206-A209 PolarHBondContact O-N 3.06Å
207	A	87.8	Confident	82.2	Confident	15 Å²	15	81.1 Å²	81.1	12%	0.124	47%	0.474	C	S	.	.	H	α-helix	trans	-66.4	-32.3	176.6	0	0	0	0	0	112.4	K137 R143 E203 L204 A209 Q210	K137-A207 HydrophobicContact CB-CB 4.13Å; R143-A207 PolarHBondContact NH1-O 2.98Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 2.74Å; E203-A207 PolarHBondContact O-N 2.62Å; L204-A207 PolarHBondContact O-N 2.97Å; A207-A209 PolarHBondContact O-N 3.1Å; A207-Q210 PolarHBondContact O-N 2.98Å; A207-Q210 VanDerWaalsContact O-N 3.14Å
208	A	85.3	Confident	80.1	Confident	52 Å²	52	86 Å²	86	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-27.7	175.7	0	0	0	0	0	112.8	R143 L204 A205 A206 Q210	R143-A208 PolarHBondContact NH2-O 3.33Å; R143-A208 VanDerWaalsContact NH2-O 3.12Å; L204-A208 WeakPolarHBondContact O-CB 3.25Å; L204-A208 PolarHBondContact O-N 3.5Å; A205-A208 PolarHBondContact O-N 2.86Å; A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.33Å; A208-Q210 VanDerWaalsContact C-N 3.32Å
209	A	83.6	Confident	77.3	Confident	90 Å²	90	86.9 Å²	86.9	74%	0.744	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.8	175.7	0	0	0	0	0	113.9	A205 A206 A207	A205-A209 PolarHBondContact O-N 2.57Å; A206-A209 PolarHBondContact O-N 3.06Å; A207-A209 PolarHBondContact O-N 3.1Å
210	Q	85.2	Confident	74.7	Confident	125 Å²	125	86.9 Å²	86.9	58%	0.584	51%	0.511	S	S	*	.	S	Bend	trans	-95.4	150.3	-179.3	-66.2	-178.9	-1.5	0	0	111.8	R143 A207 A208	R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.92Å; R143-Q210 PolarHBondContact NH2-O 3.46Å; A207-Q210 PolarHBondContact O-N 2.98Å; A207-Q210 VanDerWaalsContact O-N 3.14Å; A208-Q210 VanDerWaalsContact C-N 3.32Å
211	P	83.6	Confident	72	Confident	120 Å²	120	98 Å²	98	78%	0.779	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-52.5	148.3	170.2	-23	33.1	0	0	0	111.4
212	L	82.8	Confident	70.9	Confident	63 Å²	63	98.7 Å²	98.7	33%	0.33	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-66.9	139.4	172.3	-71.1	165.7	0	0	0	108.7	T140 R143 K144	T140-L212 HydrophobicContact CG2-CD2 4.41Å; R143-L212 HydrophobicContact CB-CD1 4.47Å; R143-L212 HydrophobicContact CB-CD2 3.83Å; K144-L212 HydrophobicContact CG-CD1 3.96Å; K144-L212 HydrophobicContact CG-CD2 4.22Å
213	P	75.4	Confident	69.8	Low	78 Å²	78	100.7 Å²	100.7	51%	0.506	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-61.6	139.7	172.1	24.9	-30.9	0	0	0	109.5
214	D	66.4	Low	68.5	Low	149 Å²	149	102.9 Å²	102.9	80%	0.797	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-57.2	140.6	178.4	-67.1	-40.9	0	0	0	110.7	D216	D214-D216 PolarHBondContact O-N 3.34Å
215	D	58.3	Low	67.3	Low	94 Å²	94	107.1 Å²	107.1	50%	0.503	62%	0.616	S	S	.	*	S	Bend	trans	-71.4	33.6	-167	-77.1	-28.4	0	0	0	115	K144 D217 D218	K144-D215 VanDerWaalsContact CE-OD1 3.3Å; K144-D215 WeakPolarHBondContact CE-OD1 3.43Å; K144-D215 IonicContact NZ-OD1 2.87Å; K144-D215 PolarHBondContact NZ-OD1 2.78Å; D215-D217 PolarHBondContact O-N 3.33Å; D215-D218 PolarHBondContact O-N 3.27Å
216	D	48.3	Very low	65.8	Low	138 Å²	138	109.5 Å²	109.5	74%	0.738	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-11.5	-178.4	-75.4	-17.4	0	0	0	113.6	D214	D214-D216 PolarHBondContact O-N 3.34Å
217	D	48.4	Very low	64.1	Low	149 Å²	149	113.1 Å²	113.1	80%	0.797	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-4.2	179.5	-83.1	-27.9	0	0	0	114.8	D215 L219	D215-D217 PolarHBondContact O-N 3.33Å; D217-L219 VanDerWaalsContact C-N 3.25Å; D217-L219 PolarHBondContact O-N 2.68Å
218	D	47.3	Very low	62.4	Low	106 Å²	106	120.1 Å²	120.1	57%	0.567	67%	0.666	S	S	*	*			trans	-83.9	1.3	177.6	-78	-22.9	0	0	0	113.1	D215 I220	D215-D218 PolarHBondContact O-N 3.27Å; D218-I220 PolarHBondContact O-N 3.33Å
219	L	35.1	Very low	60.7	Low	149 Å²	149	125.4 Å²	125.4	78%	0.78	69%	0.685	S	S	*	*			trans	-83.5	78.5	165.6	-73.9	163.1	0	0	0	110.1	D217	D217-L219 VanDerWaalsContact C-N 3.25Å; D217-L219 PolarHBondContact O-N 2.68Å
220	I	40.4	Very low	58.8	Low	114 Å²	114	128.3 Å²	128.3	59%	0.585	68%	0.68	S	S	*	*			trans	-108	99	154.8	-56.5	175.3	0	0	0	106.1	D218	D218-I220 PolarHBondContact O-N 3.33Å
221	E	34.3	Very low	56.4	Low	255 Å²	255	128.6 Å²	128.6	100%	1.192	69%	0.688	S	S	*	*			trans	-53.3	0	158.6	-74.5	-175.8	152.6	0	0	111.5

Retrieved 221 of 221 residues in 55.7 ms (Link to these results)

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