RAN2_ARATH Loading...

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 , UniProt , Accession P41917, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), 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	42.5	Very low	67.9	Low	200 Å²	200	110.5 Å²	110.5	99%	0.985	61%	0.61	S	S	*	*				0	113.3	0	-91.1	175.2	-157.8	0	0	107.9
2	A	49.8	Very low	70.2	Confident	83 Å²	83	107.8 Å²	107.8	69%	0.686	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-63.6	133.5	162.8	0	0	0	0	0	107.3
3	L	53	Low	72.2	Confident	66 Å²	66	102.8 Å²	102.8	35%	0.346	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-61	136	173.8	-69.9	174.2	0	0	0	108.3	N5 V48 V50 W67	L3-N5 PolarHBondContact O-N 2.99Å; L3-V48 HydrophobicContact CD1-CG1 4.36Å; L3-V50 HydrophobicContact CD1-CB 3.98Å; L3-V50 HydrophobicContact CD1-CG2 3.29Å; L3-V50 HydrophobicContact CG-CG2 4.46Å; L3-W67 HydrophobicContact CD1-CH2 4.38Å; L3-W67 HydrophobicContact CG-CH2 3.9Å; L3-W67 HydrophobicContact CG-CZ2 4.39Å; L3-W67 HydrophobicContact CG-CZ3 4.36Å
4	P	48.7	Very low	74	Confident	114 Å²	114	97.6 Å²	97.6	74%	0.74	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	138.4	173.7	22.1	-29.7	0	0	0	109.6
5	N	56.5	Low	75.5	Confident	161 Å²	161	92.7 Å²	92.7	86%	0.861	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	18.2	178	-52.9	-20.2	0	0	0	118.9	L3 Q7	L3-N5 PolarHBondContact O-N 2.99Å; N5-Q7 PolarHBondContact O-N 3.07Å; N5-Q7 VanDerWaalsContact O-N 3.14Å
6	Q	65.3	Low	76.9	Confident	59 Å²	59	86.9 Å²	86.9	28%	0.276	49%	0.485	S	S	.	.			trans	-72.3	106.6	164.1	-73.1	178.4	-4.8	0	0	109.9	T8 V50 Y65	Q6-T8 PolarHBondContact O-N 3.35Å; Q6-T8 VanDerWaalsContact O-N 3.11Å; Q6-V50 VanDerWaalsContact NE2-CG1 3.31Å; Q6-Y65 HydrophobicContact CB-CE1 4.48Å; Q6-Y65 HydrophobicContact CG-CD1 4.43Å
7	Q	70.3	Confident	78.1	Confident	153 Å²	153	81.8 Å²	81.8	72%	0.715	46%	0.456	S	S	*	.			trans	-59	113.7	174.8	-74.1	179.8	-13.3	0	0	109.6	N5 V9 Y65	N5-Q7 PolarHBondContact O-N 3.07Å; N5-Q7 VanDerWaalsContact O-N 3.14Å; Q7-V9 PolarHBondContact O-N 3.35Å; Q7-Y65 PolarHBondContact O-OH 3.23Å
8	T	80.5	Confident	79.2	Confident	139 Å²	139	77.3 Å²	77.3	85%	0.853	43%	0.431	S	S	*	.			trans	-61.7	135.1	170.4	50.7	0	0	0	0	109.5	Q6	Q6-T8 PolarHBondContact O-N 3.35Å; Q6-T8 VanDerWaalsContact O-N 3.11Å
9	V	91.7	Very high	80.1	Confident	36 Å²	36	73.3 Å²	73.3	22%	0.218	41%	0.409	C	S	.	.			trans	-107.3	156.3	176.2	-67.3	0	0	0	0	110	Q7 Y11 R63	Q7-V9 PolarHBondContact O-N 3.35Å; V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 HydrophobicContact CB-CD1 3.92Å; V9-Y11 HydrophobicContact CB-CD2 4.49Å; V9-Y11 HydrophobicContact CB-CE1 3.6Å; V9-Y11 HydrophobicContact CB-CE2 4.26Å; V9-Y11 HydrophobicContact CB-CG 4.35Å; V9-Y11 HydrophobicContact CG1-CE1 3.83Å; V9-Y11 HydrophobicContact CG2-CD1 4.39Å; V9-Y11 HydrophobicContact CG2-CD2 4.12Å; V9-Y11 HydrophobicContact CG2-CE1 4.23Å; V9-Y11 HydrophobicContact CG2-CE2 3.99Å; V9-Y11 HydrophobicContact CG2-CG 4.33Å; V9-Y11 WeakPolarHBondContact CG2-O 3.39Å; V9-R63 VanDerWaalsContact CG1-NH1 3.25Å
10	D	93.7	Very high	80.9	Confident	161 Å²	161	69.6 Å²	69.6	86%	0.861	39%	0.388	S	S	*	.	S	Bend	trans	-88.9	7.7	179.9	62.6	-23.6	0	0	0	113.7
11	Y	94.9	Very high	81.6	Confident	44 Å²	44	67 Å²	67	17%	0.173	37%	0.374	C	S	.	.	S	Bend	trans	-123.7	166.5	176	56.2	-93.8	0	0	0	111.1	V9 S13 D54 K61 R63	V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 HydrophobicContact CB-CD1 3.92Å; V9-Y11 HydrophobicContact CB-CD2 4.49Å; V9-Y11 HydrophobicContact CB-CE1 3.6Å; V9-Y11 HydrophobicContact CB-CE2 4.26Å; V9-Y11 HydrophobicContact CB-CG 4.35Å; V9-Y11 HydrophobicContact CG1-CE1 3.83Å; V9-Y11 HydrophobicContact CG2-CD1 4.39Å; V9-Y11 HydrophobicContact CG2-CD2 4.12Å; V9-Y11 HydrophobicContact CG2-CE1 4.23Å; V9-Y11 HydrophobicContact CG2-CE2 3.99Å; V9-Y11 HydrophobicContact CG2-CG 4.33Å; V9-Y11 WeakPolarHBondContact CG2-O 3.39Å; Y11-S13 PolarHBondContact O-N 3.34Å; Y11-D54 PolarHBondContact OH-OD1 3.09Å; Y11-D54 PolarHBondContact OH-OD2 2.9Å; Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.1Å; Y11-K61 HydrophobicContact CD2-CD 4.36Å; Y11-K61 HydrophobicContact CD2-CG 4.04Å; Y11-K61 WeakPolarHBondContact CD2-O 3.24Å; Y11-K61 HydrophobicContact CE1-CD 3.89Å; Y11-K61 HydrophobicContact CE2-CB 4.29Å; Y11-K61 HydrophobicContact CE2-CD 3.82Å; Y11-K61 HydrophobicContact CE2-CG 3.73Å; Y11-K61 HydrophobicContact CG-CB 4.3Å; Y11-K61 VanDerWaalsContact OH-CE 3.25Å; Y11-K61 WeakPolarHBondContact OH-CE 3.28Å; Y11-K61 PolarHBondContact OH-NZ 3.31Å; Y11-R63 HydrophobicContact CE2-CB 3.73Å; Y11-R63 VanDerWaalsContact OH-CZ 3.31Å; Y11-R63 PolarHBondContact OH-NE 3.32Å; Y11-R63 PolarHBondContact OH-NH2 3.27Å; Y11-R63 VanDerWaalsContact OH-NH2 3.12Å
12	P	96	Very high	84	Confident	77 Å²	77	58.6 Å²	58.6	50%	0.5	34%	0.338	S	S	.	.			trans	-54.8	128	-176.5	-27.6	36	0	0	0	112.8	F14 I62 R63	P12-F14 HydrophobicContact CB-CE2 4.05Å; P12-F14 HydrophobicContact CB-CZ 4.15Å; P12-I62 HydrophobicContact CB-CG2 4.4Å; P12-I62 WeakPolarHBondContact O-CA 3.21Å; P12-R63 PolarHBondContact O-N 3.27Å
13	S	96.4	Very high	86.2	Confident	44 Å²	44	55.8 Å²	55.8	31%	0.308	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.8	175.6	64.3	0	0	0	0	111.8	Y11 R63	Y11-S13 PolarHBondContact O-N 3.34Å; S13-R63 CarbonylContact C-O 3.57Å; S13-R63 WeakPolarHBondContact CA-O 3.48Å
14	F	97.1	Very high	88.3	Confident	30 Å²	30	52.6 Å²	52.6	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.7	-172.4	-54.7	-80.9	0	0	0	111.2	P12 L16 R63 F64 Y65 Q87 L171	P12-F14 HydrophobicContact CB-CE2 4.05Å; P12-F14 HydrophobicContact CB-CZ 4.15Å; F14-L16 PolarHBondContact O-N 3.4Å; F14-R63 PolarHBondContact N-O 3.41Å; F14-F64 HydrophobicContact CB-CD1 3.95Å; F14-F64 HydrophobicContact CB-CE1 4.08Å; F14-F64 HydrophobicContact CD2-CE1 4.3Å; F14-F64 CarbonylContact O-C 3.52Å; F14-F64 WeakPolarHBondContact O-CA 3.37Å; F14-Y65 PolarHBondContact O-N 3.24Å; F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; F14-L171 HydrophobicContact CB-CD1 3.99Å; F14-L171 HydrophobicContact CD1-CB 4.16Å; F14-L171 HydrophobicContact CD1-CD1 3.87Å; F14-L171 HydrophobicContact CD1-CD2 3.97Å; F14-L171 HydrophobicContact CD1-CG 4.23Å; F14-L171 HydrophobicContact CD2-CD1 4.04Å; F14-L171 HydrophobicContact CE1-CB 3.82Å; F14-L171 HydrophobicContact CE1-CD1 4.36Å; F14-L171 HydrophobicContact CE1-CD2 4.24Å; F14-L171 HydrophobicContact CE1-CG 4.37Å; F14-L171 HydrophobicContact CE2-CB 4.32Å; F14-L171 HydrophobicContact CG-CD1 3.69Å; F14-L171 HydrophobicContact CZ-CB 3.9Å
15	K	96.8	Very high	90.5	Very high	23 Å²	23	47.8 Å²	47.8	10%	0.1	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113.3	168.2	179.3	168.8	171	173.9	0	109.9	W67 Y82 I84 Q87 C88	K15-W67 HydrophobicContact CD-CD2 4.4Å; K15-W67 HydrophobicContact CD-CZ2 4.32Å; K15-W67 HydrophobicContact CG-CG 4.41Å; K15-Y82 VanDerWaalsContact CE-O 3.22Å; K15-Y82 WeakPolarHBondContact CE-O 3.46Å; K15-Y82 PolarHBondContact NZ-O 3.08Å; K15-I84 PolarHBondContact NZ-O 3.42Å; K15-Q87 PolarHBondContact O-N 2.84Å; K15-C88 PolarHBondContact O-N 2.95Å
16	L	98	Very high	92.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.5	172.2	-174.7	154.8	0	0	0	109.2	F14 I18 F64 Y65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.4Å; L16-I18 HydrophobicContact CD2-CB 4.13Å; L16-F64 HydrophobicContact CB-CB 4.27Å; L16-F64 HydrophobicContact CB-CD1 3.96Å; L16-F64 HydrophobicContact CB-CG 4.48Å; L16-F64 HydrophobicContact CD1-CB 4.48Å; L16-F64 HydrophobicContact CD1-CD1 3.9Å; L16-F64 HydrophobicContact CD1-CE1 4.34Å; L16-F64 HydrophobicContact CD1-CG 4.19Å; L16-Y65 PolarHBondContact N-O 2.88Å; L16-C66 CarbonylContact O-C 3.56Å; L16-C66 WeakPolarHBondContact O-CA 3.49Å; L16-W67 PolarHBondContact O-N 2.7Å; L16-C88 WeakPolarHBondContact CA-O 3.47Å; L16-I90 HydrophobicContact CD1-CD1 4.08Å; L16-I90 HydrophobicContact CD1-CG1 4.34Å; L16-I90 HydrophobicContact CD2-CD1 4.25Å; L16-I90 HydrophobicContact CD2-CG1 4.29Å; L16-F164 HydrophobicContact CD1-CD1 4.05Å; L16-F164 HydrophobicContact CD1-CE1 3.73Å; L16-L167 HydrophobicContact CD1-CD1 3.56Å; L16-L167 HydrophobicContact CG-CD1 4.36Å
17	V	96.7	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	172.4	-171.2	0	0	0	0	109.1	V19 T69 Y83 C88 A89 I90 L111	V17-V19 HydrophobicContact CG1-CG1 3.65Å; V17-T69 HydrophobicContact CG1-CG2 4.02Å; V17-Y83 HydrophobicContact CG1-CD1 3.63Å; V17-Y83 HydrophobicContact CG1-CE1 3.85Å; V17-C88 PolarHBondContact N-O 2.93Å; V17-A89 HydrophobicContact CB-CB 4.42Å; V17-A89 CarbonylContact O-C 3.59Å; V17-A89 WeakPolarHBondContact O-CA 3.37Å; V17-A89 VanDerWaalsContact O-CB 3.29Å; V17-A89 WeakPolarHBondContact O-CB 3.46Å; V17-I90 PolarHBondContact O-N 3.38Å; V17-L111 HydrophobicContact CB-CD1 4.45Å
18	I	97.2	Very high	95.1	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	-108.6	123.8	171.9	-170.3	171	0	0	0	109.8	L16 K26 F29 V30 W67 D68 T69 I90 M92	L16-I18 HydrophobicContact CD2-CB 4.13Å; I18-K26 HydrophobicContact CD1-CB 3.92Å; I18-K26 HydrophobicContact CD1-CG 4.14Å; I18-K26 HydrophobicContact CG1-CB 4.1Å; I18-K26 HydrophobicContact CG1-CD 4.04Å; I18-K26 HydrophobicContact CG1-CG 3.94Å; I18-K26 HydrophobicContact CG2-CB 4.47Å; I18-F29 HydrophobicContact CD1-CD1 3.99Å; I18-V30 HydrophobicContact CD1-CG2 4.08Å; I18-V30 HydrophobicContact CG2-CG2 4.15Å; I18-W67 WeakPolarHBondContact CG2-O 3.45Å; I18-W67 PolarHBondContact N-O 2.76Å; I18-W67 VanDerWaalsContact N-O 3.07Å; I18-D68 VanDerWaalsContact CG2-CA 3.45Å; I18-D68 HydrophobicContact CG2-CB 4.06Å; I18-T69 PolarHBondContact O-N 3.44Å; I18-T69 PolarHBondContact O-OG1 3Å; I18-I90 WeakPolarHBondContact CA-O 3.09Å; I18-I90 HydrophobicContact CB-CB 4.46Å; I18-I90 HydrophobicContact CD1-CB 4.41Å; I18-I90 HydrophobicContact CD1-CG2 4.24Å; I18-I90 HydrophobicContact CG1-CB 4.03Å; I18-I90 HydrophobicContact CG1-CG2 4.1Å; I18-M92 HydrophobicContact CD1-CE 3.98Å
19	V	96.1	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.2	-173.5	-58	0	0	0	0	111.2	V17 K26 T69 Y83 I90 I91 M92 W107	V17-V19 HydrophobicContact CG1-CG1 3.65Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; V19-T69 HydrophobicContact CG1-CG2 4.49Å; V19-Y83 HydrophobicContact CG1-CD1 4.49Å; V19-Y83 HydrophobicContact CG1-CE1 3.54Å; V19-I90 PolarHBondContact N-O 2.96Å; V19-I91 HydrophobicContact CG2-CB 4.22Å; V19-I91 HydrophobicContact CG2-CG1 3.71Å; V19-I91 HydrophobicContact CG2-CG2 4.28Å; V19-I91 WeakPolarHBondContact O-CA 3.4Å; V19-M92 PolarHBondContact O-N 3.21Å; V19-W107 HydrophobicContact CB-CD2 4.34Å; V19-W107 HydrophobicContact CB-CE3 3.71Å; V19-W107 HydrophobicContact CB-CZ3 4.12Å; V19-W107 HydrophobicContact CG1-CE3 4.37Å; V19-W107 HydrophobicContact CG2-CB 4.21Å; V19-W107 HydrophobicContact CG2-CE3 4.31Å
20	G	96.5	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.			trans	133.9	166.9	-176.4	0	0	0	0	0	111.5	K26 G71 M92 W107	G20-K26 WeakPolarHBondContact O-CE 3.49Å; G20-K26 PolarHBondContact O-NZ 2.52Å; G20-G71 WeakPolarHBondContact O-CA 3.38Å; G20-M92 WeakPolarHBondContact CA-O 3.14Å; G20-W107 VanDerWaalsContact C-CE2 3.41Å; G20-W107 VanDerWaalsContact C-CZ2 3.44Å; G20-W107 WeakPolarHBondContact O-CZ2 3.47Å
21	D	95.6	Very high	96	Very high	16 Å²	16	18.8 Å²	18.8	9%	0.086	12%	0.115	C	C	.	.			trans	-56	159.6	-175.3	-76.5	16.9	0	0	0	113.6	T24 K26 G71 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.86Å; D21-T24 WeakPolarHBondContact O-CG2 3.31Å; D21-T24 PolarHBondContact O-OG1 3.44Å; D21-K26 PolarHBondContact O-NZ 3.33Å; D21-G71 CarbonylContact C-O 3.58Å; D21-T100 HydrophobicContact CB-CG2 3.82Å; D21-T100 WeakPolarHBondContact OD2-CA 3.35Å; D21-N103 WeakPolarHBondContact OD1-CB 3.28Å; D21-N103 PolarHBondContact OD1-ND2 3.23Å; D21-N103 PolarHBondContact OD2-ND2 3.42Å; D21-W107 PolarHBondContact OD1-NE1 2.88Å
22	G	94.2	Very high	96	Very high	23 Å²	23	16.7 Å²	16.7	24%	0.237	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	142.7	170.6	0	0	0	0	0	111.8	T24 G71	G22-T24 PolarHBondContact O-N 3.21Å; G22-G71 PolarHBondContact N-O 3.38Å
23	G	94.4	Very high	95.8	Very high	23 Å²	23	14 Å²	14	24%	0.237	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	0.5	177.6	0	0	0	0	0	115.7	G25 Y42 K126	G23-G25 PolarHBondContact O-N 3.05Å; G23-Y42 PolarHBondContact N-OH 2.59Å; G23-K126 VanDerWaalsContact O-CE 3.31Å; G23-K126 WeakPolarHBondContact O-CE 3.46Å; G23-K126 PolarHBondContact O-NZ 3.27Å
24	T	96.9	Very high	95.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-67.8	-20.5	176.1	56.8	0	0	0	0	113.5	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.86Å; D21-T24 WeakPolarHBondContact O-CG2 3.31Å; D21-T24 PolarHBondContact O-OG1 3.44Å; G22-T24 PolarHBondContact O-N 3.21Å; T24-D94 HydrophobicContact CG2-CB 4.3Å; T24-T100 HydrophobicContact CG2-CG2 3.86Å; T24-N125 PolarHBondContact O-ND2 2.89Å
25	G	96.4	Very high	95.2	Very high	12 Å²	12	18 Å²	18	12%	0.124	11%	0.11	C	C	.	.	S	Bend	trans	106.4	16.9	175.4	0	0	0	0	0	115.5	G23 T28 F29 M92	G23-G25 PolarHBondContact O-N 3.05Å; G25-T28 PolarHBondContact O-N 3.16Å; G25-F29 VanDerWaalsContact O-CB 3.32Å; G25-F29 WeakPolarHBondContact O-CB 3.43Å; G25-F29 PolarHBondContact O-N 3.33Å; G25-M92 VanDerWaalsContact C-SD 3.56Å
26	K	96.7	Very high	94.9	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-52.3	-55.9	178.8	-59.6	-176.4	-58.7	-69.8	0	112.9	I18 V19 G20 D21 T28 F29 V30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.92Å; I18-K26 HydrophobicContact CD1-CG 4.14Å; I18-K26 HydrophobicContact CG1-CB 4.1Å; I18-K26 HydrophobicContact CG1-CD 4.04Å; I18-K26 HydrophobicContact CG1-CG 3.94Å; I18-K26 HydrophobicContact CG2-CB 4.47Å; V19-K26 VanDerWaalsContact C-CD 3.5Å; G20-K26 WeakPolarHBondContact O-CE 3.49Å; G20-K26 PolarHBondContact O-NZ 2.52Å; D21-K26 PolarHBondContact O-NZ 3.33Å; K26-T28 PolarHBondContact O-N 2.9Å; K26-F29 WeakPolarHBondContact O-CB 3.06Å; K26-F29 PolarHBondContact O-N 2.9Å; K26-F29 VanDerWaalsContact O-N 3.14Å; K26-V30 WeakPolarHBondContact O-CG2 3.35Å; K26-V30 PolarHBondContact O-N 3.29Å; K26-D68 VanDerWaalsContact CB-OD1 3.32Å; K26-D68 WeakPolarHBondContact CB-OD1 3.48Å; K26-T69 WeakPolarHBondContact CE-O 3.39Å; K26-M92 HydrophobicContact CG-CB 4.06Å; K26-M92 HydrophobicContact CG-SD 4.11Å; K26-M92 PolarHBondContact N-SD 3.21Å
27	T	95.3	Very high	94.4	Very high	17 Å²	17	23.6 Å²	23.6	10%	0.104	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-47.1	179.2	-45.8	0	0	0	0	111.8	F29 V30 K31 T45 D68	T27-F29 VanDerWaalsContact C-N 3.3Å; T27-F29 PolarHBondContact O-N 2.92Å; T27-V30 PolarHBondContact O-N 3.44Å; T27-K31 HydrophobicContact CG2-CD 3.96Å; T27-K31 HydrophobicContact CG2-CG 4.31Å; T27-K31 WeakPolarHBondContact O-CB 3.39Å; T27-K31 PolarHBondContact O-N 2.95Å; T27-T45 PolarHBondContact OG1-OG1 2.95Å; T27-D68 VanDerWaalsContact CA-OD2 3.29Å; T27-D68 WeakPolarHBondContact CA-OD2 3.32Å; T27-D68 VanDerWaalsContact CB-OD2 3.25Å; T27-D68 WeakPolarHBondContact CB-OD2 3.32Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D68 PolarHBondContact OG1-OD2 3.09Å
28	T	95.7	Very high	94	Very high	26 Å²	26	25.7 Å²	25.7	16%	0.16	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-41	175.8	-48.7	0	0	0	0	111.9	G25 K26 R32 F38 A154	G25-T28 PolarHBondContact O-N 3.16Å; K26-T28 PolarHBondContact O-N 2.9Å; T28-R32 WeakPolarHBondContact O-CB 3.49Å; T28-R32 PolarHBondContact O-N 2.9Å; T28-F38 HydrophobicContact CG2-CD2 3.59Å; T28-F38 HydrophobicContact CG2-CE2 3.4Å; T28-F38 VanDerWaalsContact CG2-CE2 3.4Å; T28-F38 HydrophobicContact CG2-CG 4.5Å; T28-F38 HydrophobicContact CG2-CZ 4.18Å; T28-A154 HydrophobicContact CG2-CB 4.3Å
29	F	96.6	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-43.3	178	177.4	-101	0	0	0	112.3	I18 G25 K26 T27 H33 I90 M92 I152 A154 F160 P163 F164	I18-F29 HydrophobicContact CD1-CD1 3.99Å; G25-F29 VanDerWaalsContact O-CB 3.32Å; G25-F29 WeakPolarHBondContact O-CB 3.43Å; G25-F29 PolarHBondContact O-N 3.33Å; K26-F29 WeakPolarHBondContact O-CB 3.06Å; K26-F29 PolarHBondContact O-N 2.9Å; K26-F29 VanDerWaalsContact O-N 3.14Å; T27-F29 VanDerWaalsContact C-N 3.3Å; T27-F29 PolarHBondContact O-N 2.92Å; F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.52Å; F29-H33 PolarHBondContact O-N 2.8Å; F29-H33 PolarHBondContact O-ND1 3.09Å; F29-I90 HydrophobicContact CE1-CD1 4.02Å; F29-M92 HydrophobicContact CB-CE 3.82Å; F29-M92 HydrophobicContact CD1-CE 3.97Å; F29-M92 HydrophobicContact CD2-CE 4.4Å; F29-M92 HydrophobicContact CG-CE 3.82Å; F29-I152 HydrophobicContact CD2-CD1 3.66Å; F29-I152 HydrophobicContact CE2-CD1 3.61Å; F29-I152 HydrophobicContact CG-CD1 4.41Å; F29-I152 HydrophobicContact CZ-CD1 4.32Å; F29-A154 HydrophobicContact CB-CB 4.28Å; F29-F160 AromaticContact CD2-CD2 3.65Å; F29-F160 HydrophobicContact CD2-CD2 3.65Å; F29-F160 AromaticContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CZ 4.32Å; F29-F160 AromaticContact CE2-CD2 3.58Å; F29-F160 HydrophobicContact CE2-CD2 3.58Å; F29-F160 AromaticContact CE2-CE2 3.73Å; F29-F160 HydrophobicContact CE2-CE2 3.73Å; F29-F160 HydrophobicContact CE2-CG 4.33Å; F29-F160 WeakPolarHBondContact CE2-O 3.39Å; F29-F160 HydrophobicContact CG-CE2 4.22Å; F29-F160 WeakPolarHBondContact CZ-O 3.4Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; F29-P163 HydrophobicContact CZ-CG 4.2Å; F29-F164 HydrophobicContact CD1-CE2 4.41Å; F29-F164 HydrophobicContact CE1-CD2 4.35Å; F29-F164 AromaticContact CE1-CE2 3.37Å; F29-F164 HydrophobicContact CE1-CE2 3.37Å; F29-F164 AromaticContact CE1-CZ 3.82Å; F29-F164 HydrophobicContact CE1-CZ 3.82Å; F29-F164 HydrophobicContact CZ-CD2 4.14Å; F29-F164 AromaticContact CZ-CE2 3.51Å; F29-F164 HydrophobicContact CZ-CE2 3.51Å; F29-F164 HydrophobicContact CZ-CZ 4.41Å
30	V	95.6	Very high	93	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-53.7	178.2	172.8	0	0	0	0	111.1	I18 K26 T27 R32 H33 L34 H51 L53 C66	I18-V30 HydrophobicContact CD1-CG2 4.08Å; I18-V30 HydrophobicContact CG2-CG2 4.15Å; K26-V30 WeakPolarHBondContact O-CG2 3.35Å; K26-V30 PolarHBondContact O-N 3.29Å; T27-V30 PolarHBondContact O-N 3.44Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 3.33Å; V30-H33 WeakPolarHBondContact O-CB 3.02Å; V30-H33 PolarHBondContact O-N 3Å; V30-L34 PolarHBondContact O-N 2.93Å; V30-L34 VanDerWaalsContact O-N 3.16Å; V30-H51 HydrophobicContact CG1-CB 3.56Å; V30-L53 HydrophobicContact CG1-CD1 4.45Å; V30-C66 HydrophobicContact CG1-CB 4.15Å; V30-C66 HydrophobicContact CG2-CB 4.38Å
31	K	93.2	Very high	92.8	Very high	48 Å²	48	42.2 Å²	42.2	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-36.6	-179.2	-75.2	-177.5	-178	170.7	0	111.9	T27 H33 L34 T35 E39	T27-K31 HydrophobicContact CG2-CD 3.96Å; T27-K31 HydrophobicContact CG2-CG 4.31Å; T27-K31 WeakPolarHBondContact O-CB 3.39Å; T27-K31 PolarHBondContact O-N 2.95Å; K31-H33 VanDerWaalsContact C-N 3.31Å; K31-H33 PolarHBondContact O-N 3.35Å; K31-L34 CarbonylContact O-C 3.58Å; K31-L34 WeakPolarHBondContact O-CA 3.32Å; K31-L34 WeakPolarHBondContact O-CB 3.18Å; K31-L34 PolarHBondContact O-N 3.34Å; K31-T35 PolarHBondContact O-N 3.26Å; K31-T35 PolarHBondContact O-OG1 2.79Å; K31-T35 VanDerWaalsContact O-OG1 3.13Å; K31-E39 VanDerWaalsContact CD-OE2 3.23Å; K31-E39 WeakPolarHBondContact CD-OE2 3.44Å; K31-E39 IonicContact NZ-OE1 2.71Å; K31-E39 PolarHBondContact NZ-OE1 3.31Å; K31-E39 IonicContact NZ-OE2 3.25Å; K31-E39 PolarHBondContact NZ-OE2 3.27Å
32	R	93.6	Very high	92.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-29.5	177.2	-174.4	168.4	-161	172.2	2.5	113.2	T28 V30 L34 G36 E37 A154 K155 N157 F160 L185 A186 P187	T28-R32 WeakPolarHBondContact O-CB 3.49Å; T28-R32 PolarHBondContact O-N 2.9Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 3.33Å; R32-L34 VanDerWaalsContact C-N 3.31Å; R32-G36 WeakPolarHBondContact O-CA 3.1Å; R32-G36 PolarHBondContact O-N 3.41Å; R32-E37 WeakPolarHBondContact CA-O 3.46Å; R32-E37 WeakPolarHBondContact CB-O 3.39Å; R32-A154 WeakPolarHBondContact CD-O 3.47Å; R32-A154 PolarHBondContact NH1-O 2.85Å; R32-K155 PolarHBondContact NH1-O 3.07Å; R32-N157 PolarHBondContact NE-OD1 2.88Å; R32-N157 PolarHBondContact NH1-OD1 3.26Å; R32-N157 PolarHBondContact NH2-OD1 3.49Å; R32-F160 HydrophobicContact CB-CE2 4.33Å; R32-F160 HydrophobicContact CB-CZ 3.65Å; R32-F160 HydrophobicContact CG-CE1 4.23Å; R32-F160 HydrophobicContact CG-CE2 4.41Å; R32-F160 HydrophobicContact CG-CZ 3.71Å; R32-L185 HydrophobicContact CG-CD2 4.31Å; R32-L185 VanDerWaalsContact O-CD2 3.27Å; R32-L185 WeakPolarHBondContact O-CD2 3.18Å; R32-A186 PolarHBondContact NH2-O 2.82Å; R32-P187 PolarHBondContact NH2-O 2.91Å; R32-P187 VanDerWaalsContact NH2-O 3.09Å
33	H	93.1	Very high	92.2	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.093	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-31.3	168	-79.6	88.4	0	0	0	112.3	F29 V30 K31 L53 F55 F160 F164	F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.52Å; F29-H33 PolarHBondContact O-N 2.8Å; F29-H33 PolarHBondContact O-ND1 3.09Å; V30-H33 WeakPolarHBondContact O-CB 3.02Å; V30-H33 PolarHBondContact O-N 3Å; K31-H33 VanDerWaalsContact C-N 3.31Å; K31-H33 PolarHBondContact O-N 3.35Å; H33-L53 HydrophobicContact CB-CD1 3.73Å; H33-L53 HydrophobicContact CB-CD2 4.01Å; H33-L53 HydrophobicContact CB-CG 4.48Å; H33-F55 AromaticContact CD2-CZ 3.82Å; H33-F160 HydrophobicContact CB-CE1 4.24Å; H33-F160 HydrophobicContact CB-CZ 4.46Å; H33-F160 AromaticContact CD2-CD1 3.83Å; H33-F160 AromaticContact CD2-CE1 3.5Å; H33-F160 AromaticContact CE1-CD1 3.16Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.44Å; H33-F160 AromaticContact CE1-CD2 3.7Å; H33-F160 AromaticContact CE1-CE1 2.97Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.34Å; H33-F160 AromaticContact CE1-CE2 3.51Å; H33-F160 AromaticContact CE1-CG 3.52Å; H33-F160 AromaticContact CE1-CZ 3.14Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.39Å; H33-F160 PolarHBondContact CE1-O 3.44Å; H33-F160 AromaticContact CG-CE1 3.37Å; H33-F160 AromaticContact CG-CZ 3.69Å; H33-F160 AromaticContact ND1-CD1 3.78Å; H33-F160 AromaticContact ND1-CE1 3.07Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.25Å; H33-F160 AromaticContact ND1-CE2 3.67Å; H33-F160 AromaticContact ND1-CZ 2.98Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.33Å; H33-F160 AromaticContact NE2-CD1 3.21Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.44Å; H33-F160 AromaticContact NE2-CE1 3.28Å; H33-F160 VanDerWaalsContact NE2-CE1 3.28Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.48Å; H33-F160 AromaticContact NE2-CG 3.85Å; H33-F160 AromaticContact NE2-CZ 3.94Å; H33-F160 PolarHBondContact NE2-O 3.36Å; H33-F164 AromaticContact CD2-CE2 3.83Å; H33-F164 AromaticContact CE1-CD2 3.79Å; H33-F164 AromaticContact CE1-CE2 3.3Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.41Å; H33-F164 AromaticContact CG-CE2 3.95Å; H33-F164 AromaticContact ND1-CE2 3.6Å; H33-F164 AromaticContact NE2-CD2 3.48Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.22Å; H33-F164 AromaticContact NE2-CE2 3.42Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.37Å
34	L	90.7	Very high	92	Very high	82 Å²	82	53.1 Å²	53.1	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-79.4	-46.7	-177.5	-177.1	62.4	0	0	0	112.9	V30 K31 R32 H51 L53	V30-L34 PolarHBondContact O-N 2.93Å; V30-L34 VanDerWaalsContact O-N 3.16Å; K31-L34 CarbonylContact O-C 3.58Å; K31-L34 WeakPolarHBondContact O-CA 3.32Å; K31-L34 WeakPolarHBondContact O-CB 3.18Å; K31-L34 PolarHBondContact O-N 3.34Å; R32-L34 VanDerWaalsContact C-N 3.31Å; L34-H51 HydrophobicContact CD2-CB 4.46Å; L34-L53 HydrophobicContact CB-CD2 3.78Å; L34-L53 HydrophobicContact CD1-CD2 4.16Å
35	T	90.2	Very high	91.5	Very high	78 Å²	78	53.7 Å²	53.7	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-111.6	-12.7	-170.6	69	0	0	0	0	113.4	K31 E37	K31-T35 PolarHBondContact O-N 3.26Å; K31-T35 PolarHBondContact O-OG1 2.79Å; K31-T35 VanDerWaalsContact O-OG1 3.13Å; T35-E37 PolarHBondContact O-N 3.22Å; T35-E37 PolarHBondContact OG1-N 3.3Å
36	G	89.6	Confident	91	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	76.8	-15.2	-170.5	0	0	0	0	0	114.4	R32 A184 A186	R32-G36 WeakPolarHBondContact O-CA 3.1Å; R32-G36 PolarHBondContact O-N 3.41Å; G36-A184 WeakPolarHBondContact CA-O 3.28Å; G36-A186 WeakPolarHBondContact O-CB 3.29Å; G36-A186 PolarHBondContact O-N 2.91Å
37	E	88.2	Confident	90.5	Very high	137 Å²	137	59.5 Å²	59.5	64%	0.64	29%	0.292	S	S	*	.			trans	-85.3	147.7	-173.3	-61.9	-175.8	169.8	0	0	112.8	R32 T35	R32-E37 WeakPolarHBondContact CA-O 3.46Å; R32-E37 WeakPolarHBondContact CB-O 3.39Å; T35-E37 PolarHBondContact O-N 3.22Å; T35-E37 PolarHBondContact OG1-N 3.3Å
38	F	87.3	Confident	90.3	Very high	45 Å²	45	59.9 Å²	59.9	20%	0.197	29%	0.294	C	S	.	.			trans	-94.1	114.5	173.8	-177.9	-99.9	0	0	0	111.2	T28 K40 A154 K155 E189	T28-F38 HydrophobicContact CG2-CD2 3.59Å; T28-F38 HydrophobicContact CG2-CE2 3.4Å; T28-F38 VanDerWaalsContact CG2-CE2 3.4Å; T28-F38 HydrophobicContact CG2-CG 4.5Å; T28-F38 HydrophobicContact CG2-CZ 4.18Å; F38-K40 HydrophobicContact CD1-CG 3.82Å; F38-K40 HydrophobicContact CE1-CG 4.05Å; F38-K40 PolarHBondContact O-N 2.96Å; F38-A154 WeakPolarHBondContact CD2-O 3.29Å; F38-K155 HydrophobicContact CD1-CG 4.41Å; F38-K155 HydrophobicContact CD2-CB 4.26Å; F38-K155 HydrophobicContact CD2-CG 4.24Å; F38-K155 HydrophobicContact CE1-CD 4.31Å; F38-K155 HydrophobicContact CE1-CG 3.97Å; F38-K155 HydrophobicContact CE2-CB 3.64Å; F38-K155 HydrophobicContact CE2-CG 3.76Å; F38-K155 HydrophobicContact CZ-CB 3.91Å; F38-K155 HydrophobicContact CZ-CD 4.05Å; F38-K155 HydrophobicContact CZ-CG 3.62Å; F38-E189 HydrophobicContact CB-CG 3.95Å; F38-E189 HydrophobicContact CD1-CG 3.93Å; F38-E189 HydrophobicContact CG-CG 4.12Å
39	E	86.8	Confident	90.1	Very high	56 Å²	56	62.3 Å²	62.3	26%	0.262	30%	0.303	S	S	.	.			trans	-76	107.7	176.1	-168.4	166.3	-141	0	0	111	K31	K31-E39 VanDerWaalsContact CD-OE2 3.23Å; K31-E39 WeakPolarHBondContact CD-OE2 3.44Å; K31-E39 IonicContact NZ-OE1 2.71Å; K31-E39 PolarHBondContact NZ-OE1 3.31Å; K31-E39 IonicContact NZ-OE2 3.25Å; K31-E39 PolarHBondContact NZ-OE2 3.27Å
40	K	87.3	Confident	89.9	Confident	150 Å²	150	64 Å²	64	65%	0.652	31%	0.314	S	S	*	.			trans	-76.9	-30.5	-176.8	-66.2	-179.4	-178.7	-179.2	0	113.5	F38 E189	F38-K40 HydrophobicContact CD1-CG 3.82Å; F38-K40 HydrophobicContact CE1-CG 4.05Å; F38-K40 PolarHBondContact O-N 2.96Å; K40-E189 WeakPolarHBondContact CE-OE1 3.11Å; K40-E189 WeakPolarHBondContact CE-OE2 3.05Å; K40-E189 VanDerWaalsContact NZ-CD 3.26Å; K40-E189 IonicContact NZ-OE1 3Å; K40-E189 PolarHBondContact NZ-OE1 2.88Å; K40-E189 IonicContact NZ-OE2 2.8Å; K40-E189 PolarHBondContact NZ-OE2 3.4Å
41	K	90.5	Very high	89.9	Confident	141 Å²	141	65 Å²	65	61%	0.613	32%	0.318	S	S	*	.	S	Bend	trans	-91.2	129.5	-176	-172.8	-176.1	175.4	-160.6	0	109.3	E43	K41-E43 HydrophobicContact CD-CG 4.16Å; K41-E43 WeakPolarHBondContact CD-OE1 3.14Å; K41-E43 VanDerWaalsContact CE-OE1 3.24Å; K41-E43 WeakPolarHBondContact CE-OE1 3.33Å; K41-E43 HydrophobicContact CG-CG 4.24Å; K41-E43 IonicContact NZ-OE1 3.37Å; K41-E43 PolarHBondContact NZ-OE1 3.48Å; K41-E43 PolarHBondContact O-N 2.99Å
42	Y	89.2	Confident	90	Very high	124 Å²	124	65.2 Å²	65.2	49%	0.486	32%	0.324	S	S	.	.			trans	-81.7	115.6	171.7	174.8	-115.6	0	0	0	110.1	G23 P44 Q72	G23-Y42 PolarHBondContact N-OH 2.59Å; Y42-P44 HydrophobicContact CD1-CG 4.46Å; Y42-P44 HydrophobicContact CE1-CB 4.5Å; Y42-P44 HydrophobicContact CE1-CG 3.71Å; Y42-Q72 PolarHBondContact OH-NE2 3.12Å
43	E	89.8	Confident	90.1	Very high	103 Å²	103	65.4 Å²	65.4	48%	0.481	33%	0.325	S	S	.	.			trans	-117.9	116.6	168.6	-62.8	-169.9	167.5	0	0	107.8	K41 T45	K41-E43 HydrophobicContact CD-CG 4.16Å; K41-E43 WeakPolarHBondContact CD-OE1 3.14Å; K41-E43 VanDerWaalsContact CE-OE1 3.24Å; K41-E43 WeakPolarHBondContact CE-OE1 3.33Å; K41-E43 HydrophobicContact CG-CG 4.24Å; K41-E43 IonicContact NZ-OE1 3.37Å; K41-E43 PolarHBondContact NZ-OE1 3.48Å; K41-E43 PolarHBondContact O-N 2.99Å; E43-T45 PolarHBondContact O-N 3.37Å
44	P	89.8	Confident	90.2	Very high	64 Å²	64	67 Å²	67	42%	0.416	34%	0.335	S	S	.	.			trans	-61.3	127.2	-179.7	-20.4	29.5	0	0	0	111.5	Y42 I46	Y42-P44 HydrophobicContact CD1-CG 4.46Å; Y42-P44 HydrophobicContact CE1-CB 4.5Å; Y42-P44 HydrophobicContact CE1-CG 3.71Å; P44-I46 PolarHBondContact O-N 3.02Å
45	T	86.3	Confident	90.4	Very high	12 Å²	12	63.7 Å²	63.7	7%	0.074	32%	0.317	C	S	.	.			trans	-58.5	132.7	170.1	-39.5	0	0	0	0	110.1	T27 E43 E49 D68 A70	T27-T45 PolarHBondContact OG1-OG1 2.95Å; E43-T45 PolarHBondContact O-N 3.37Å; T45-E49 HydrophobicContact CG2-CG 4.11Å; T45-D68 PolarHBondContact OG1-OD2 3.2Å; T45-A70 WeakPolarHBondContact O-CB 3.27Å
46	I	86.1	Confident	90.7	Very high	131 Å²	131	64 Å²	64	67%	0.672	31%	0.312	S	S	*	.			trans	-101.3	114.9	174.6	-59	176.5	0	0	0	108	P44 V48	P44-I46 PolarHBondContact O-N 3.02Å; I46-V48 PolarHBondContact O-N 2.92Å; I46-V48 VanDerWaalsContact O-N 3.16Å
47	G	85.8	Confident	91.1	Very high	12 Å²	12	64.3 Å²	64.3	12%	0.124	31%	0.313	C	S	.	.	S	Bend	trans	70.6	-105.9	-177.9	0	0	0	0	0	112.5	A70 Y82	G47-A70 WeakPolarHBondContact O-CB 3.47Å; G47-A70 PolarHBondContact O-N 3.42Å; G47-Y82 VanDerWaalsContact CA-OH 3.25Å; G47-Y82 WeakPolarHBondContact CA-OH 3.14Å
48	V	90	Very high	91.5	Very high	25 Å²	25	61 Å²	61	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.1	179.3	68.2	0	0	0	0	111.3	L3 I46 V50 W67 D68 T69 Y82	L3-V48 HydrophobicContact CD1-CG1 4.36Å; I46-V48 PolarHBondContact O-N 2.92Å; I46-V48 VanDerWaalsContact O-N 3.16Å; V48-V50 HydrophobicContact CG2-CG2 4.3Å; V48-W67 HydrophobicContact CG1-CE3 4.31Å; V48-W67 HydrophobicContact CG1-CZ3 4.41Å; V48-W67 HydrophobicContact CG2-CB 3.92Å; V48-W67 HydrophobicContact CG2-CD2 4.36Å; V48-W67 HydrophobicContact CG2-CE3 3.86Å; V48-W67 HydrophobicContact CG2-CG 4.44Å; V48-D68 VanDerWaalsContact CA-O 3.28Å; V48-D68 WeakPolarHBondContact CA-O 3.11Å; V48-D68 WeakPolarHBondContact CG2-O 3.37Å; V48-T69 HydrophobicContact CG2-CG2 4.36Å; V48-Y82 HydrophobicContact CB-CD1 3.87Å; V48-Y82 HydrophobicContact CB-CD2 4.3Å; V48-Y82 HydrophobicContact CB-CE1 3.82Å; V48-Y82 HydrophobicContact CB-CE2 4.24Å; V48-Y82 HydrophobicContact CB-CG 4.12Å; V48-Y82 HydrophobicContact CG1-CD1 3.52Å; V48-Y82 HydrophobicContact CG1-CE1 3.29Å; V48-Y82 HydrophobicContact CG1-CG 4.29Å
49	E	92	Very high	91.8	Very high	76 Å²	76	63 Å²	63	36%	0.355	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	163.6	-67	-177.1	-175.2	0	0	109.5	T45 H51 D68	T45-E49 HydrophobicContact CG2-CG 4.11Å; E49-H51 WeakPolarHBondContact CB-NE2 3.39Å; E49-H51 IonicContact OE2-CE1 2.68Å; E49-H51 IonicContact OE2-NE2 2.86Å; E49-H51 PolarHBondContact OE2-NE2 2.85Å; E49-D68 PolarHBondContact N-O 2.85Å; E49-D68 PolarHBondContact O-N 3.07Å
50	V	93.8	Very high	92.3	Very high	36 Å²	36	62.2 Å²	62.2	22%	0.218	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.8	177.6	-177.1	0	0	0	0	111.7	L3 Q6 V48 Y65 C66 W67	L3-V50 HydrophobicContact CD1-CB 3.98Å; L3-V50 HydrophobicContact CD1-CG2 3.29Å; L3-V50 HydrophobicContact CG-CG2 4.46Å; Q6-V50 VanDerWaalsContact NE2-CG1 3.31Å; V48-V50 HydrophobicContact CG2-CG2 4.3Å; V50-Y65 HydrophobicContact CG1-CD1 4.34Å; V50-C66 VanDerWaalsContact CA-O 3.31Å; V50-C66 WeakPolarHBondContact CA-O 3.48Å; V50-W67 HydrophobicContact CG2-CB 4.3Å; V50-W67 HydrophobicContact CG2-CD2 3.55Å; V50-W67 HydrophobicContact CG2-CE3 4.14Å; V50-W67 HydrophobicContact CG2-CG 3.65Å; V50-W67 HydrophobicContact CG2-CZ2 4.25Å
51	H	94.6	Very high	92.7	Very high	22 Å²	22	58 Å²	58	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.4	-176.1	-62.5	-81.1	0	0	0	109.9	V30 L34 E49 L53 C66	V30-H51 HydrophobicContact CG1-CB 3.56Å; L34-H51 HydrophobicContact CD2-CB 4.46Å; E49-H51 WeakPolarHBondContact CB-NE2 3.39Å; E49-H51 IonicContact OE2-CE1 2.68Å; E49-H51 IonicContact OE2-NE2 2.86Å; E49-H51 PolarHBondContact OE2-NE2 2.85Å; H51-L53 PolarHBondContact O-N 2.96Å; H51-C66 PolarHBondContact N-O 3.11Å; H51-C66 PolarHBondContact O-N 2.82Å
52	P	95.1	Very high	93	Very high	52 Å²	52	51.8 Å²	51.8	34%	0.338	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.9	171.7	30	-30.8	0	0	0	110	R63 Y65	P52-R63 HydrophobicContact CB-CG 4.4Å; P52-Y65 HydrophobicContact CB-CD1 4.21Å; P52-Y65 HydrophobicContact CB-CE1 3.98Å
53	L	95.3	Very high	93.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.9	175.3	-58.3	-173.9	0	0	0	109.8	V30 H33 L34 H51 F55 R63 F64 C66 F164	V30-L53 HydrophobicContact CG1-CD1 4.45Å; H33-L53 HydrophobicContact CB-CD1 3.73Å; H33-L53 HydrophobicContact CB-CD2 4.01Å; H33-L53 HydrophobicContact CB-CG 4.48Å; L34-L53 HydrophobicContact CB-CD2 3.78Å; L34-L53 HydrophobicContact CD1-CD2 4.16Å; H51-L53 PolarHBondContact O-N 2.96Å; L53-F55 HydrophobicContact CB-CE2 3.81Å; L53-F55 HydrophobicContact CB-CZ 4.49Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.31Å; L53-F64 PolarHBondContact N-O 2.86Å; L53-F64 PolarHBondContact O-N 2.78Å; L53-C66 HydrophobicContact CD1-CB 4.38Å; L53-C66 VanDerWaalsContact CD1-SG 3.53Å; L53-F164 HydrophobicContact CD1-CE1 3.91Å; L53-F164 HydrophobicContact CD1-CZ 3.65Å
54	D	94.9	Very high	93.7	Very high	54 Å²	54	42.4 Å²	42.4	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.3	177.9	-74.6	-35	0	0	0	111.2	Y11 K61 I62 R63	Y11-D54 PolarHBondContact OH-OD1 3.09Å; Y11-D54 PolarHBondContact OH-OD2 2.9Å; D54-K61 VanDerWaalsContact CG-NZ 3.28Å; D54-K61 WeakPolarHBondContact OD1-CE 3.16Å; D54-K61 IonicContact OD1-NZ 2.68Å; D54-K61 WeakPolarHBondContact OD2-CE 3.29Å; D54-K61 IonicContact OD2-NZ 2.62Å; D54-K61 PolarHBondContact OD2-NZ 3.2Å; D54-I62 WeakPolarHBondContact CA-O 3.39Å; D54-R63 WeakPolarHBondContact OD1-CB 3.17Å; D54-R63 IonicContact OD1-CZ 2.85Å; D54-R63 IonicContact OD1-NE 2.71Å; D54-R63 PolarHBondContact OD1-NE 2.99Å; D54-R63 IonicContact OD1-NH2 3.75Å; D54-R63 PolarHBondContact OD1-NH2 2.71Å; D54-R63 IonicContact OD2-CZ 3.32Å; D54-R63 IonicContact OD2-NE 2.89Å; D54-R63 IonicContact OD2-NH2 2.86Å; D54-R63 PolarHBondContact OD2-NH2 2.83Å
55	F	96.2	Very high	94	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.1	173.3	-63.2	-96.7	0	0	0	109.6	H33 L53 I62 F64 F164 F179	H33-F55 AromaticContact CD2-CZ 3.82Å; L53-F55 HydrophobicContact CB-CE2 3.81Å; L53-F55 HydrophobicContact CB-CZ 4.49Å; F55-I62 HydrophobicContact CB-CD1 4.34Å; F55-I62 HydrophobicContact CB-CG1 3.87Å; F55-I62 PolarHBondContact N-O 3.08Å; F55-I62 PolarHBondContact O-N 3.34Å; F55-F64 AromaticContact CD2-CD2 3.79Å; F55-F64 HydrophobicContact CD2-CD2 3.79Å; F55-F64 HydrophobicContact CD2-CE2 4.21Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.36Å; F55-F164 HydrophobicContact CE1-CB 3.93Å; F55-F164 HydrophobicContact CE1-CD2 4.29Å; F55-F164 HydrophobicContact CE1-CG 4.05Å; F55-F164 HydrophobicContact CE2-CB 4.18Å; F55-F164 AromaticContact CE2-CD1 3.64Å; F55-F164 HydrophobicContact CE2-CD1 3.64Å; F55-F164 HydrophobicContact CE2-CE1 4.1Å; F55-F164 AromaticContact CE2-CG 3.89Å; F55-F164 HydrophobicContact CE2-CG 3.89Å; F55-F164 HydrophobicContact CZ-CB 3.71Å; F55-F164 AromaticContact CZ-CD1 3.61Å; F55-F164 HydrophobicContact CZ-CD1 3.61Å; F55-F164 AromaticContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CE1 4.08Å; F55-F164 HydrophobicContact CZ-CE2 4.19Å; F55-F164 AromaticContact CZ-CG 3.38Å; F55-F164 HydrophobicContact CZ-CG 3.38Å; F55-F164 HydrophobicContact CZ-CZ 4.36Å; F55-F179 HydrophobicContact CB-CD1 3.98Å; F55-F179 HydrophobicContact CB-CE1 3.6Å; F55-F179 HydrophobicContact CB-CZ 4.04Å; F55-F179 HydrophobicContact CD1-CD1 4.35Å; F55-F179 HydrophobicContact CD1-CD2 4.07Å; F55-F179 AromaticContact CD1-CE1 3.89Å; F55-F179 HydrophobicContact CD1-CE1 3.89Å; F55-F179 AromaticContact CD1-CE2 3.55Å; F55-F179 HydrophobicContact CD1-CE2 3.55Å; F55-F179 HydrophobicContact CD1-CG 4.45Å; F55-F179 AromaticContact CD1-CZ 3.46Å; F55-F179 HydrophobicContact CD1-CZ 3.46Å; F55-F179 VanDerWaalsContact CD1-CZ 3.46Å; F55-F179 AromaticContact CE1-CE2 3.94Å; F55-F179 HydrophobicContact CE1-CE2 3.94Å; F55-F179 HydrophobicContact CE1-CZ 4.07Å; F55-F179 AromaticContact CG-CE1 3.94Å; F55-F179 HydrophobicContact CG-CE1 3.94Å; F55-F179 HydrophobicContact CG-CE2 4.38Å; F55-F179 AromaticContact CG-CZ 3.83Å; F55-F179 HydrophobicContact CG-CZ 3.83Å
56	F	96.6	Very high	94.5	Very high	85 Å²	85	39.8 Å²	39.8	37%	0.373	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	175.5	-65.9	-90	0	0	0	109	K61 F179 V180 E181	F56-K61 HydrophobicContact CD1-CB 4.37Å; F56-K61 HydrophobicContact CD1-CG 4.26Å; F56-K61 HydrophobicContact CE1-CB 4.43Å; F56-K61 HydrophobicContact CE1-CD 3.86Å; F56-K61 HydrophobicContact CE1-CG 4.09Å; F56-K61 HydrophobicContact CZ-CD 4.06Å; F56-K61 HydrophobicContact CZ-CG 4.48Å; F56-F179 CarbonylContact O-C 3.54Å; F56-F179 VanDerWaalsContact O-CA 3.27Å; F56-F179 WeakPolarHBondContact O-CA 3.12Å; F56-V180 HydrophobicContact CB-CG2 3.83Å; F56-V180 WeakPolarHBondContact O-CG2 3.29Å; F56-V180 PolarHBondContact O-N 2.83Å; F56-E181 HydrophobicContact CB-CB 4.36Å; F56-E181 HydrophobicContact CB-CG 4.37Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.42Å
57	T	97.1	Very high	94.9	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	166.5	180	81.9	0	0	0	0	110.6	C59 G60 I62 L177 H178 F179	T57-C59 PolarHBondContact O-N 2.63Å; T57-C59 VanDerWaalsContact O-N 3.12Å; T57-C59 PolarHBondContact OG1-N 2.89Å; T57-G60 WeakPolarHBondContact CA-O 2.97Å; T57-G60 WeakPolarHBondContact CB-O 3.07Å; T57-G60 PolarHBondContact N-O 2.73Å; T57-G60 PolarHBondContact O-N 3Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.14Å; T57-G60 PolarHBondContact OG1-O 2.9Å; T57-I62 HydrophobicContact CG2-CD1 3.94Å; T57-I62 HydrophobicContact CG2-CG1 3.98Å; T57-I62 HydrophobicContact CG2-CG2 4.19Å; T57-L177 HydrophobicContact CG2-CD1 4.24Å; T57-L177 HydrophobicContact CG2-CD2 3.86Å; T57-L177 HydrophobicContact CG2-CG 4.14Å; T57-H178 CarbonylContact C-O 3.55Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.27Å; T57-F179 HydrophobicContact CG2-CD1 4.03Å; T57-F179 HydrophobicContact CG2-CE1 4.18Å
58	N	97.1	Very high	95.4	Very high	69 Å²	69	33.2 Å²	33.2	37%	0.369	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.2	169.9	65.1	-55.5	0	0	0	114	L177 H178 V180	N58-L177 VanDerWaalsContact OD1-CA 3.29Å; N58-L177 WeakPolarHBondContact OD1-CA 3.35Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.19Å; N58-H178 VanDerWaalsContact CG-CE1 3.47Å; N58-H178 PolarHBondContact N-O 2.86Å; N58-H178 VanDerWaalsContact N-O 3.07Å; N58-H178 PolarHBondContact OD1-N 3.3Å; N58-H178 PolarHBondContact OD1-O 2.89Å; N58-V180 HydrophobicContact CB-CG1 4.01Å
59	C	94.6	Very high	95.5	Very high	87 Å²	87	32.1 Å²	32.1	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	10.3	177.6	-59.1	0	0	0	0	112.6	T57	T57-C59 PolarHBondContact O-N 2.63Å; T57-C59 VanDerWaalsContact O-N 3.12Å; T57-C59 PolarHBondContact OG1-N 2.89Å
60	G	95.9	Very high	95.3	Very high	39 Å²	39	28.7 Å²	28.7	40%	0.402	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108.8	-174	-177.1	0	0	0	0	0	113.5	T57	T57-G60 WeakPolarHBondContact CA-O 2.97Å; T57-G60 WeakPolarHBondContact CB-O 3.07Å; T57-G60 PolarHBondContact N-O 2.73Å; T57-G60 PolarHBondContact O-N 3Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.14Å; T57-G60 PolarHBondContact OG1-O 2.9Å
61	K	95.9	Very high	94.6	Very high	60 Å²	60	27.5 Å²	27.5	26%	0.261	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.4	-175.9	-166.2	178	-178.5	-166.9	0	111.1	Y11 D54 F56	Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.1Å; Y11-K61 HydrophobicContact CD2-CD 4.36Å; Y11-K61 HydrophobicContact CD2-CG 4.04Å; Y11-K61 WeakPolarHBondContact CD2-O 3.24Å; Y11-K61 HydrophobicContact CE1-CD 3.89Å; Y11-K61 HydrophobicContact CE2-CB 4.29Å; Y11-K61 HydrophobicContact CE2-CD 3.82Å; Y11-K61 HydrophobicContact CE2-CG 3.73Å; Y11-K61 HydrophobicContact CG-CB 4.3Å; Y11-K61 VanDerWaalsContact OH-CE 3.25Å; Y11-K61 WeakPolarHBondContact OH-CE 3.28Å; Y11-K61 PolarHBondContact OH-NZ 3.31Å; D54-K61 VanDerWaalsContact CG-NZ 3.28Å; D54-K61 WeakPolarHBondContact OD1-CE 3.16Å; D54-K61 IonicContact OD1-NZ 2.68Å; D54-K61 WeakPolarHBondContact OD2-CE 3.29Å; D54-K61 IonicContact OD2-NZ 2.62Å; D54-K61 PolarHBondContact OD2-NZ 3.2Å; F56-K61 HydrophobicContact CD1-CB 4.37Å; F56-K61 HydrophobicContact CD1-CG 4.26Å; F56-K61 HydrophobicContact CE1-CB 4.43Å; F56-K61 HydrophobicContact CE1-CD 3.86Å; F56-K61 HydrophobicContact CE1-CG 4.09Å; F56-K61 HydrophobicContact CZ-CD 4.06Å; F56-K61 HydrophobicContact CZ-CG 4.48Å
62	I	96.4	Very high	93.8	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.062	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.5	170.3	66.7	174.3	0	0	0	110	P12 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.4Å; P12-I62 WeakPolarHBondContact O-CA 3.21Å; D54-I62 WeakPolarHBondContact CA-O 3.39Å; F55-I62 HydrophobicContact CB-CD1 4.34Å; F55-I62 HydrophobicContact CB-CG1 3.87Å; F55-I62 PolarHBondContact N-O 3.08Å; F55-I62 PolarHBondContact O-N 3.34Å; T57-I62 HydrophobicContact CG2-CD1 3.94Å; T57-I62 HydrophobicContact CG2-CG1 3.98Å; T57-I62 HydrophobicContact CG2-CG2 4.19Å; I62-F64 HydrophobicContact CD1-CE2 3.9Å; I62-F64 HydrophobicContact CD1-CZ 4.36Å; I62-A168 HydrophobicContact CD1-CB 3.38Å; I62-F179 HydrophobicContact CD1-CE1 4.36Å
63	R	96.5	Very high	92.5	Very high	29 Å²	29	32.8 Å²	32.8	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.1	173.1	178.8	166.7	-74.1	-176.3	-3	112	V9 Y11 P12 S13 F14 P52 L53 D54 Y65	V9-R63 VanDerWaalsContact CG1-NH1 3.25Å; Y11-R63 HydrophobicContact CE2-CB 3.73Å; Y11-R63 VanDerWaalsContact OH-CZ 3.31Å; Y11-R63 PolarHBondContact OH-NE 3.32Å; Y11-R63 PolarHBondContact OH-NH2 3.27Å; Y11-R63 VanDerWaalsContact OH-NH2 3.12Å; P12-R63 PolarHBondContact O-N 3.27Å; S13-R63 CarbonylContact C-O 3.57Å; S13-R63 WeakPolarHBondContact CA-O 3.48Å; F14-R63 PolarHBondContact N-O 3.41Å; P52-R63 HydrophobicContact CB-CG 4.4Å; L53-R63 CarbonylContact O-C 3.58Å; L53-R63 WeakPolarHBondContact O-CA 3.31Å; D54-R63 WeakPolarHBondContact OD1-CB 3.17Å; D54-R63 IonicContact OD1-CZ 2.85Å; D54-R63 IonicContact OD1-NE 2.71Å; D54-R63 PolarHBondContact OD1-NE 2.99Å; D54-R63 IonicContact OD1-NH2 3.75Å; D54-R63 PolarHBondContact OD1-NH2 2.71Å; D54-R63 IonicContact OD2-CZ 3.32Å; D54-R63 IonicContact OD2-NE 2.89Å; D54-R63 IonicContact OD2-NH2 2.86Å; D54-R63 PolarHBondContact OD2-NH2 2.83Å; R63-Y65 VanDerWaalsContact CD-OH 3.27Å; R63-Y65 WeakPolarHBondContact CD-OH 2.97Å; R63-Y65 HydrophobicContact CG-CE1 4.44Å; R63-Y65 HydrophobicContact CG-CE2 4.25Å; R63-Y65 PolarHBondContact NH1-OH 3.23Å
64	F	97.5	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.5	160	-68.2	-76.6	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 4.3Å; F14-F64 CarbonylContact O-C 3.52Å; F14-F64 WeakPolarHBondContact O-CA 3.37Å; L16-F64 HydrophobicContact CB-CB 4.27Å; L16-F64 HydrophobicContact CB-CD1 3.96Å; L16-F64 HydrophobicContact CB-CG 4.48Å; L16-F64 HydrophobicContact CD1-CB 4.48Å; L16-F64 HydrophobicContact CD1-CD1 3.9Å; L16-F64 HydrophobicContact CD1-CE1 4.34Å; L16-F64 HydrophobicContact CD1-CG 4.19Å; L53-F64 PolarHBondContact N-O 2.86Å; L53-F64 PolarHBondContact O-N 2.78Å; F55-F64 AromaticContact CD2-CD2 3.79Å; F55-F64 HydrophobicContact CD2-CD2 3.79Å; F55-F64 HydrophobicContact CD2-CE2 4.21Å; F55-F64 AromaticContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CD2 3.74Å; F55-F64 HydrophobicContact CE2-CE2 4.36Å; I62-F64 HydrophobicContact CD1-CE2 3.9Å; I62-F64 HydrophobicContact CD1-CZ 4.36Å; F64-C66 PolarHBondContact O-N 2.96Å; F64-F164 HydrophobicContact CB-CE1 4.47Å; F64-F164 AromaticContact CD2-CD1 3.66Å; F64-F164 HydrophobicContact CD2-CD1 3.66Å; F64-F164 HydrophobicContact CD2-CE1 4.27Å; F64-F164 HydrophobicContact CE2-CB 4.36Å; F64-F164 AromaticContact CE2-CD1 3.94Å; F64-F164 HydrophobicContact CE2-CD1 3.94Å; F64-F164 HydrophobicContact CG-CD1 4.19Å; F64-F164 HydrophobicContact CG-CE1 4.44Å; F64-L167 HydrophobicContact CE1-CB 4.27Å; F64-L167 HydrophobicContact CZ-CB 4.07Å; F64-A168 HydrophobicContact CE2-CB 4.49Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F64-L171 HydrophobicContact CE1-CD1 3.63Å; F64-L171 HydrophobicContact CZ-CD1 4.19Å
65	Y	96.9	Very high	89.2	Confident	21 Å²	21	43.2 Å²	43.2	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	97.6	159.8	-70.4	-70.7	0	0	0	107	Q6 Q7 F14 L16 V50 P52 R63 W67	Q6-Y65 HydrophobicContact CB-CE1 4.48Å; Q6-Y65 HydrophobicContact CG-CD1 4.43Å; Q7-Y65 PolarHBondContact O-OH 3.23Å; F14-Y65 PolarHBondContact O-N 3.24Å; L16-Y65 PolarHBondContact N-O 2.88Å; V50-Y65 HydrophobicContact CG1-CD1 4.34Å; P52-Y65 HydrophobicContact CB-CD1 4.21Å; P52-Y65 HydrophobicContact CB-CE1 3.98Å; R63-Y65 VanDerWaalsContact CD-OH 3.27Å; R63-Y65 WeakPolarHBondContact CD-OH 2.97Å; R63-Y65 HydrophobicContact CG-CE1 4.44Å; R63-Y65 HydrophobicContact CG-CE2 4.25Å; R63-Y65 PolarHBondContact NH1-OH 3.23Å; Y65-W67 VanDerWaalsContact O-CD1 3.32Å; Y65-W67 PolarHBondContact O-N 3.35Å
66	C	96.5	Very high	87.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.3	-179.3	-70	0	0	0	0	110.2	L16 V30 V50 H51 L53 F64 D68	L16-C66 CarbonylContact O-C 3.56Å; L16-C66 WeakPolarHBondContact O-CA 3.49Å; V30-C66 HydrophobicContact CG1-CB 4.15Å; V30-C66 HydrophobicContact CG2-CB 4.38Å; V50-C66 VanDerWaalsContact CA-O 3.31Å; V50-C66 WeakPolarHBondContact CA-O 3.48Å; H51-C66 PolarHBondContact N-O 3.11Å; H51-C66 PolarHBondContact O-N 2.82Å; L53-C66 HydrophobicContact CD1-CB 4.38Å; L53-C66 VanDerWaalsContact CD1-SG 3.53Å; F64-C66 PolarHBondContact O-N 2.96Å; C66-D68 PolarHBondContact O-N 3.27Å
67	W	95.3	Very high	85.6	Confident	6 Å²	6	43.7 Å²	43.7	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	92.3	173.2	-71.2	56.1	0	0	0	108.5	L3 K15 L16 I18 V48 V50 Y65 T69 Y82	L3-W67 HydrophobicContact CD1-CH2 4.38Å; L3-W67 HydrophobicContact CG-CH2 3.9Å; L3-W67 HydrophobicContact CG-CZ2 4.39Å; L3-W67 HydrophobicContact CG-CZ3 4.36Å; K15-W67 HydrophobicContact CD-CD2 4.4Å; K15-W67 HydrophobicContact CD-CZ2 4.32Å; K15-W67 HydrophobicContact CG-CG 4.41Å; L16-W67 PolarHBondContact O-N 2.7Å; I18-W67 WeakPolarHBondContact CG2-O 3.45Å; I18-W67 PolarHBondContact N-O 2.76Å; I18-W67 VanDerWaalsContact N-O 3.07Å; V48-W67 HydrophobicContact CG1-CE3 4.31Å; V48-W67 HydrophobicContact CG1-CZ3 4.41Å; V48-W67 HydrophobicContact CG2-CB 3.92Å; V48-W67 HydrophobicContact CG2-CD2 4.36Å; V48-W67 HydrophobicContact CG2-CE3 3.86Å; V48-W67 HydrophobicContact CG2-CG 4.44Å; V50-W67 HydrophobicContact CG2-CB 4.3Å; V50-W67 HydrophobicContact CG2-CD2 3.55Å; V50-W67 HydrophobicContact CG2-CE3 4.14Å; V50-W67 HydrophobicContact CG2-CG 3.65Å; V50-W67 HydrophobicContact CG2-CZ2 4.25Å; Y65-W67 VanDerWaalsContact O-CD1 3.32Å; Y65-W67 PolarHBondContact O-N 3.35Å; W67-T69 PolarHBondContact O-N 2.68Å; W67-Y82 HydrophobicContact CE3-CD1 4.34Å; W67-Y82 HydrophobicContact CZ3-CD1 4.16Å
68	D	94.5	Very high	84.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	105.5	174.7	-176.2	34.9	0	0	0	110.7	I18 K26 T27 T45 V48 E49 C66	I18-D68 VanDerWaalsContact CG2-CA 3.45Å; I18-D68 HydrophobicContact CG2-CB 4.06Å; K26-D68 VanDerWaalsContact CB-OD1 3.32Å; K26-D68 WeakPolarHBondContact CB-OD1 3.48Å; T27-D68 VanDerWaalsContact CA-OD2 3.29Å; T27-D68 WeakPolarHBondContact CA-OD2 3.32Å; T27-D68 VanDerWaalsContact CB-OD2 3.25Å; T27-D68 WeakPolarHBondContact CB-OD2 3.32Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D68 PolarHBondContact OG1-OD2 3.09Å; T45-D68 PolarHBondContact OG1-OD2 3.2Å; V48-D68 VanDerWaalsContact CA-O 3.28Å; V48-D68 WeakPolarHBondContact CA-O 3.11Å; V48-D68 WeakPolarHBondContact CG2-O 3.37Å; E49-D68 PolarHBondContact N-O 2.85Å; E49-D68 PolarHBondContact O-N 3.07Å; C66-D68 PolarHBondContact O-N 3.27Å
69	T	92.2	Very high	83.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.2	-173.5	67.3	0	0	0	0	112.7	V17 I18 V19 K26 V48 W67 G71 Y82	V17-T69 HydrophobicContact CG1-CG2 4.02Å; I18-T69 PolarHBondContact O-N 3.44Å; I18-T69 PolarHBondContact O-OG1 3Å; V19-T69 HydrophobicContact CG1-CG2 4.49Å; K26-T69 WeakPolarHBondContact CE-O 3.39Å; V48-T69 HydrophobicContact CG2-CG2 4.36Å; W67-T69 PolarHBondContact O-N 2.68Å; T69-G71 PolarHBondContact O-N 2.81Å; T69-Y82 HydrophobicContact CG2-CD2 4.46Å
70	A	88.6	Confident	82.7	Confident	5 Å²	5	45 Å²	45	4%	0.041	25%	0.251	C	S	.	.			trans	-61.5	124.3	171.6	0	0	0	0	0	111.7	T45 G47 F75	T45-A70 WeakPolarHBondContact O-CB 3.27Å; G47-A70 WeakPolarHBondContact O-CB 3.47Å; G47-A70 PolarHBondContact O-N 3.42Å; A70-F75 HydrophobicContact CB-CB 3.97Å; A70-F75 HydrophobicContact CB-CD2 3.97Å; A70-F75 HydrophobicContact CB-CG 4.32Å
71	G	80	Confident	82.4	Confident	10 Å²	10	45 Å²	45	10%	0.103	25%	0.25	C	S	.	.			trans	-87.5	1.8	178.1	0	0	0	0	0	115	G20 D21 G22 T69	G20-G71 WeakPolarHBondContact O-CA 3.38Å; D21-G71 CarbonylContact C-O 3.58Å; G22-G71 PolarHBondContact N-O 3.38Å; T69-G71 PolarHBondContact O-N 2.81Å
72	Q	76.6	Confident	82.1	Confident	68 Å²	68	44.1 Å²	44.1	32%	0.318	25%	0.246	S	C	.	.			trans	-88.5	137.8	-178.5	-58.7	-68.8	-37.1	0	0	110.3	Y42 K74 F75 R79	Y42-Q72 PolarHBondContact OH-NE2 3.12Å; Q72-K74 PolarHBondContact O-N 3.18Å; Q72-F75 HydrophobicContact CB-CD2 3.73Å; Q72-F75 HydrophobicContact CB-CE2 4.07Å; Q72-F75 HydrophobicContact CG-CD2 4.3Å; Q72-F75 HydrophobicContact CG-CE2 4.28Å; Q72-F75 PolarHBondContact O-N 2.64Å; Q72-F75 VanDerWaalsContact O-N 3.13Å; Q72-R79 PolarHBondContact O-NH2 2.82Å
73	E	67.2	Low	81.9	Confident	117 Å²	117	43.6 Å²	43.6	55%	0.547	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.6	-31	177.5	-63.3	-66	-163.6	0	0	113.2	F75 G76 R79	E73-F75 PolarHBondContact O-N 2.73Å; E73-G76 PolarHBondContact O-N 3.14Å; E73-R79 IonicContact OE2-CZ 3.63Å; E73-R79 VanDerWaalsContact OE2-CZ 3.32Å; E73-R79 IonicContact OE2-NH1 3.71Å; E73-R79 PolarHBondContact OE2-NH1 2.91Å; E73-R79 IonicContact OE2-NH2 2.73Å; E73-R79 PolarHBondContact OE2-NH2 2.86Å
74	K	62.5	Low	81.7	Confident	195 Å²	195	45.5 Å²	45.5	85%	0.848	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-59.8	-18.7	177.3	-61.6	-173.6	-178.6	-178.1	0	113.6	Q72	Q72-K74 PolarHBondContact O-N 3.18Å
75	F	59.6	Low	81.5	Confident	82 Å²	82	53 Å²	53	36%	0.36	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-107.2	10.4	177.1	-54.1	-58.1	0	0	0	112.9	A70 Q72 E73 G77	A70-F75 HydrophobicContact CB-CB 3.97Å; A70-F75 HydrophobicContact CB-CD2 3.97Å; A70-F75 HydrophobicContact CB-CG 4.32Å; Q72-F75 HydrophobicContact CB-CD2 3.73Å; Q72-F75 HydrophobicContact CB-CE2 4.07Å; Q72-F75 HydrophobicContact CG-CD2 4.3Å; Q72-F75 HydrophobicContact CG-CE2 4.28Å; Q72-F75 PolarHBondContact O-N 2.64Å; Q72-F75 VanDerWaalsContact O-N 3.13Å; E73-F75 PolarHBondContact O-N 2.73Å; F75-G77 VanDerWaalsContact C-N 3.31Å; F75-G77 PolarHBondContact O-N 2.99Å
76	G	56.2	Low	81.5	Confident	22 Å²	22	52.4 Å²	52.4	23%	0.227	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.1	-172.1	0	0	0	0	0	115.6	E73 L78 R79	E73-G76 PolarHBondContact O-N 3.14Å; G76-L78 PolarHBondContact O-N 3.02Å; G76-R79 WeakPolarHBondContact O-CB 3.31Å; G76-R79 VanDerWaalsContact O-CG 3.3Å; G76-R79 WeakPolarHBondContact O-CG 3.31Å; G76-R79 PolarHBondContact O-N 3.05Å; G76-R79 VanDerWaalsContact O-N 3.12Å
77	G	60.8	Low	81.5	Confident	85 Å²	85	56.3 Å²	56.3	88%	0.876	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15.9	-172.8	0	0	0	0	0	116.1	F75	F75-G77 VanDerWaalsContact C-N 3.31Å; F75-G77 PolarHBondContact O-N 2.99Å
78	L	67.3	Low	81.7	Confident	119 Å²	119	56 Å²	56	62%	0.623	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-106	0.7	179.2	-65.1	175.3	0	0	0	113.9	G76 D80 G81 Y82	G76-L78 PolarHBondContact O-N 3.02Å; L78-D80 PolarHBondContact O-N 3.22Å; L78-G81 PolarHBondContact O-N 3.37Å; L78-Y82 HydrophobicContact CB-CE2 4.05Å
79	R	77.4	Confident	81.9	Confident	13 Å²	13	56 Å²	56	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-46.7	-170.7	-76	176.5	-177	163	9.9	113.3	Q72 E73 G76 G81 Y82 Y83 W107	Q72-R79 PolarHBondContact O-NH2 2.82Å; E73-R79 IonicContact OE2-CZ 3.63Å; E73-R79 VanDerWaalsContact OE2-CZ 3.32Å; E73-R79 IonicContact OE2-NH1 3.71Å; E73-R79 PolarHBondContact OE2-NH1 2.91Å; E73-R79 IonicContact OE2-NH2 2.73Å; E73-R79 PolarHBondContact OE2-NH2 2.86Å; G76-R79 WeakPolarHBondContact O-CB 3.31Å; G76-R79 VanDerWaalsContact O-CG 3.3Å; G76-R79 WeakPolarHBondContact O-CG 3.31Å; G76-R79 PolarHBondContact O-N 3.05Å; G76-R79 VanDerWaalsContact O-N 3.12Å; R79-G81 PolarHBondContact O-N 3.01Å; R79-Y82 WeakPolarHBondContact O-CB 3.42Å; R79-Y82 PolarHBondContact O-N 3.1Å; R79-Y83 HydrophobicContact CB-CE2 4.16Å; R79-Y83 PolarHBondContact O-N 3Å; R79-W107 VanDerWaalsContact NE-CH2 3.31Å
80	D	83.1	Confident	82.2	Confident	62 Å²	62	56 Å²	56	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-56.9	-38.1	-177.6	-68.4	3.5	0	0	0	111.7	L78 Y82 Y83 I84 R113 V114	L78-D80 PolarHBondContact O-N 3.22Å; D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 PolarHBondContact O-N 2.98Å; D80-Y83 PolarHBondContact O-N 3.08Å; D80-Y83 VanDerWaalsContact O-N 3.1Å; D80-I84 PolarHBondContact O-N 2.95Å; D80-R113 IonicContact OD2-CZ 3.97Å; D80-R113 IonicContact OD2-NH1 3.36Å; D80-R113 PolarHBondContact OD2-NH1 2.92Å; D80-V114 HydrophobicContact CB-CG2 3.97Å
81	G	88.5	Confident	82.6	Confident	38 Å²	38	55.7 Å²	55.7	39%	0.392	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-32.4	178.3	0	0	0	0	0	113.6	L78 R79 Y83	L78-G81 PolarHBondContact O-N 3.37Å; R79-G81 PolarHBondContact O-N 3.01Å; G81-Y83 VanDerWaalsContact C-N 3.33Å
82	Y	90.5	Very high	83.5	Confident	42 Å²	42	55.3 Å²	55.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-73.7	-26.7	175.8	-57	-41.1	0	0	0	112.3	K15 G47 V48 W67 T69 L78 R79 D80	K15-Y82 VanDerWaalsContact CE-O 3.22Å; K15-Y82 WeakPolarHBondContact CE-O 3.46Å; K15-Y82 PolarHBondContact NZ-O 3.08Å; G47-Y82 VanDerWaalsContact CA-OH 3.25Å; G47-Y82 WeakPolarHBondContact CA-OH 3.14Å; V48-Y82 HydrophobicContact CB-CD1 3.87Å; V48-Y82 HydrophobicContact CB-CD2 4.3Å; V48-Y82 HydrophobicContact CB-CE1 3.82Å; V48-Y82 HydrophobicContact CB-CE2 4.24Å; V48-Y82 HydrophobicContact CB-CG 4.12Å; V48-Y82 HydrophobicContact CG1-CD1 3.52Å; V48-Y82 HydrophobicContact CG1-CE1 3.29Å; V48-Y82 HydrophobicContact CG1-CG 4.29Å; W67-Y82 HydrophobicContact CE3-CD1 4.34Å; W67-Y82 HydrophobicContact CZ3-CD1 4.16Å; T69-Y82 HydrophobicContact CG2-CD2 4.46Å; L78-Y82 HydrophobicContact CB-CE2 4.05Å; R79-Y82 WeakPolarHBondContact O-CB 3.42Å; R79-Y82 PolarHBondContact O-N 3.1Å; D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 PolarHBondContact O-N 2.98Å
83	Y	92.7	Very high	84.5	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-78.1	-29.7	-179	-55.8	-20.6	0	0	0	112.9	V17 V19 R79 D80 G81 H85 G86 D110 L111 V114 C115	V17-Y83 HydrophobicContact CG1-CD1 3.63Å; V17-Y83 HydrophobicContact CG1-CE1 3.85Å; V19-Y83 HydrophobicContact CG1-CD1 4.49Å; V19-Y83 HydrophobicContact CG1-CE1 3.54Å; R79-Y83 HydrophobicContact CB-CE2 4.16Å; R79-Y83 PolarHBondContact O-N 3Å; D80-Y83 PolarHBondContact O-N 3.08Å; D80-Y83 VanDerWaalsContact O-N 3.1Å; G81-Y83 VanDerWaalsContact C-N 3.33Å; Y83-H85 PolarHBondContact O-N 2.94Å; Y83-G86 WeakPolarHBondContact O-CA 3.31Å; Y83-G86 PolarHBondContact O-N 3.02Å; Y83-D110 HydrophobicContact CE2-CB 4.19Å; Y83-L111 HydrophobicContact CD1-CD1 4.15Å; Y83-L111 HydrophobicContact CD2-CD1 4.5Å; Y83-L111 HydrophobicContact CG-CD1 4.13Å; Y83-V114 HydrophobicContact CD2-CB 4.31Å; Y83-V114 HydrophobicContact CD2-CG2 4.04Å; Y83-C115 PolarHBondContact O-SG 3.31Å
84	I	92.3	Very high	86	Confident	70 Å²	70	46.9 Å²	46.9	36%	0.359	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	127.1	-177	-66	171.5	0	0	0	111.8	K15 D80 G86 V114	K15-I84 PolarHBondContact NZ-O 3.42Å; D80-I84 PolarHBondContact O-N 2.95Å; I84-G86 VanDerWaalsContact C-N 3.25Å; I84-G86 PolarHBondContact O-N 3.24Å; I84-V114 HydrophobicContact CG1-CG1 3.97Å
85	H	93.3	Very high	87.7	Confident	158 Å²	158	37.6 Å²	37.6	73%	0.731	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	21.1	-175.8	-47.6	-53.6	0	0	0	115.5	Y83 Q87	Y83-H85 PolarHBondContact O-N 2.94Å; H85-Q87 PolarHBondContact O-N 3.05Å
86	G	95.8	Very high	89.5	Confident	8 Å²	8	35.4 Å²	35.4	8%	0.082	21%	0.213	C	C	.	.			trans	-57.5	135.2	167.1	0	0	0	0	0	110.2	Y83 I84 I118	Y83-G86 WeakPolarHBondContact O-CA 3.31Å; Y83-G86 PolarHBondContact O-N 3.02Å; I84-G86 VanDerWaalsContact C-N 3.25Å; I84-G86 PolarHBondContact O-N 3.24Å; G86-I118 WeakPolarHBondContact O-CG2 3.41Å
87	Q	97.6	Very high	91.4	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	22%	0.216	S	C	.	.			trans	-106.2	-22.7	179.1	-68.9	167.9	-83.6	0	0	111.7	F14 K15 H85 I118 P119 L171	F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; K15-Q87 PolarHBondContact O-N 2.84Å; H85-Q87 PolarHBondContact O-N 3.05Å; Q87-I118 WeakPolarHBondContact O-CB 3.42Å; Q87-P119 WeakPolarHBondContact O-CD 3.47Å; Q87-L171 HydrophobicContact CB-CD2 4.35Å
88	C	98.5	Very high	93.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.1	173.2	58.3	0	0	0	0	110.2	K15 L16 V17 P119 L167 L171	K15-C88 PolarHBondContact O-N 2.95Å; L16-C88 WeakPolarHBondContact CA-O 3.47Å; V17-C88 PolarHBondContact N-O 2.93Å; C88-P119 VanDerWaalsContact CA-O 3.28Å; C88-P119 WeakPolarHBondContact CA-O 3.34Å; C88-P119 WeakPolarHBondContact CB-O 3.45Å; C88-L167 HydrophobicContact CB-CD1 4.17Å; C88-L167 HydrophobicContact CB-CD2 3.8Å; C88-L167 HydrophobicContact CB-CG 4.4Å; C88-L171 HydrophobicContact CB-CD1 4.03Å
89	A	98.4	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.5	176.7	0	0	0	0	0	114.7	V17 L111 I118 P119 I120 V121	V17-A89 HydrophobicContact CB-CB 4.42Å; V17-A89 CarbonylContact O-C 3.59Å; V17-A89 WeakPolarHBondContact O-CA 3.37Å; V17-A89 VanDerWaalsContact O-CB 3.29Å; V17-A89 WeakPolarHBondContact O-CB 3.46Å; A89-L111 HydrophobicContact CB-CD1 4.19Å; A89-L111 HydrophobicContact CB-CD2 3.4Å; A89-L111 VanDerWaalsContact CB-CD2 3.4Å; A89-L111 HydrophobicContact CB-CG 4.42Å; A89-I118 HydrophobicContact CB-CD1 4.04Å; A89-P119 PolarHBondContact N-O 2.96Å; A89-I120 HydrophobicContact CB-CG1 4.22Å; A89-I120 WeakPolarHBondContact O-CA 3.27Å; A89-V121 PolarHBondContact O-N 3.15Å
90	I	98.7	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.7	166.6	-64.5	175.6	0	0	0	107.9	L16 V17 I18 V19 F29 V121 C123 P163 F164 L167	L16-I90 HydrophobicContact CD1-CD1 4.08Å; L16-I90 HydrophobicContact CD1-CG1 4.34Å; L16-I90 HydrophobicContact CD2-CD1 4.25Å; L16-I90 HydrophobicContact CD2-CG1 4.29Å; V17-I90 PolarHBondContact O-N 3.38Å; I18-I90 WeakPolarHBondContact CA-O 3.09Å; I18-I90 HydrophobicContact CB-CB 4.46Å; I18-I90 HydrophobicContact CD1-CB 4.41Å; I18-I90 HydrophobicContact CD1-CG2 4.24Å; I18-I90 HydrophobicContact CG1-CB 4.03Å; I18-I90 HydrophobicContact CG1-CG2 4.1Å; V19-I90 PolarHBondContact N-O 2.96Å; F29-I90 HydrophobicContact CE1-CD1 4.02Å; I90-V121 CarbonylContact C-O 3.48Å; I90-V121 WeakPolarHBondContact CA-O 3.22Å; I90-V121 HydrophobicContact CG1-CB 4.45Å; I90-C123 HydrophobicContact CG2-CB 4.22Å; I90-P163 HydrophobicContact CD1-CB 3.83Å; I90-P163 HydrophobicContact CG1-CB 4.44Å; I90-F164 HydrophobicContact CD1-CZ 4.47Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.96Å
91	I	98.1	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.4	168.5	-52.9	-180	0	0	0	107.2	V19 V104 W107 H108 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.22Å; V19-I91 HydrophobicContact CG2-CG1 3.71Å; V19-I91 HydrophobicContact CG2-CG2 4.28Å; V19-I91 WeakPolarHBondContact O-CA 3.4Å; I91-V104 HydrophobicContact CG2-CG1 4.18Å; I91-V104 HydrophobicContact CG2-CG2 4.3Å; I91-W107 HydrophobicContact CG2-CB 4.15Å; I91-H108 HydrophobicContact CD1-CB 3.73Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.86Å; I91-V121 PolarHBondContact N-O 3.13Å; I91-L122 HydrophobicContact CB-CD1 4.12Å; I91-L122 HydrophobicContact CG2-CD1 4.11Å; I91-L122 CarbonylContact O-C 3.5Å; I91-L122 WeakPolarHBondContact O-CA 3.45Å; I91-C123 PolarHBondContact O-N 3.47Å
92	M	98.6	Very high	96.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.3	-176.9	-170.6	177.6	-66.5	0	0	111.8	I18 V19 G20 G25 K26 F29 C123 N125 I152	I18-M92 HydrophobicContact CD1-CE 3.98Å; V19-M92 PolarHBondContact O-N 3.21Å; G20-M92 WeakPolarHBondContact CA-O 3.14Å; G25-M92 VanDerWaalsContact C-SD 3.56Å; K26-M92 HydrophobicContact CG-CB 4.06Å; K26-M92 HydrophobicContact CG-SD 4.11Å; K26-M92 PolarHBondContact N-SD 3.21Å; F29-M92 HydrophobicContact CB-CE 3.82Å; F29-M92 HydrophobicContact CD1-CE 3.97Å; F29-M92 HydrophobicContact CD2-CE 4.4Å; F29-M92 HydrophobicContact CG-CE 3.82Å; M92-C123 WeakPolarHBondContact CA-O 3.47Å; M92-C123 HydrophobicContact CG-CB 4.47Å; M92-N125 HydrophobicContact CG-CB 4Å; M92-N125 HydrophobicContact SD-CB 3.87Å; M92-I152 HydrophobicContact CE-CD1 3.88Å
93	F	98.5	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	168.9	166.1	73.8	-85.9	0	0	0	110.5	V95 Y101 V104 L122 C123 G124 N125 V134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.94Å; F93-V95 HydrophobicContact CZ-CG1 4.47Å; F93-Y101 AromaticContact CD1-CD2 3.92Å; F93-Y101 HydrophobicContact CD1-CD2 3.92Å; F93-Y101 AromaticContact CD2-CD2 3.96Å; F93-Y101 HydrophobicContact CD2-CD2 3.96Å; F93-Y101 HydrophobicContact CD2-CG 4.3Å; F93-Y101 AromaticContact CE1-CD2 3.82Å; F93-Y101 HydrophobicContact CE1-CD2 3.82Å; F93-Y101 HydrophobicContact CE1-CE2 4.26Å; F93-Y101 AromaticContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CG 4.36Å; F93-Y101 AromaticContact CG-CD2 3.97Å; F93-Y101 HydrophobicContact CG-CD2 3.97Å; F93-Y101 AromaticContact CZ-CD2 3.82Å; F93-Y101 HydrophobicContact CZ-CD2 3.82Å; F93-Y101 HydrophobicContact CZ-CE2 4.35Å; F93-V104 HydrophobicContact CB-CG2 4Å; F93-V104 HydrophobicContact CD1-CG2 4.2Å; F93-V104 HydrophobicContact CG-CG2 4.38Å; F93-L122 HydrophobicContact CD1-CD1 3.84Å; F93-L122 HydrophobicContact CD1-CG 4.23Å; F93-L122 HydrophobicContact CE1-CD1 4.1Å; F93-L122 HydrophobicContact CE1-CD2 4.19Å; F93-L122 HydrophobicContact CE1-CG 3.98Å; F93-C123 VanDerWaalsContact CD1-O 3.27Å; F93-C123 WeakPolarHBondContact CD1-O 3.29Å; F93-C123 PolarHBondContact N-O 3.46Å; F93-G124 VanDerWaalsContact CE1-CA 3.48Å; F93-G124 VanDerWaalsContact CZ-CA 3.46Å; F93-N125 PolarHBondContact O-N 2.79Å; F93-V134 HydrophobicContact CE2-CB 4.28Å; F93-V134 HydrophobicContact CE2-CG1 4.02Å; F93-V134 HydrophobicContact CE2-CG2 4.45Å; F93-V139 HydrophobicContact CZ-CG1 4.25Å; F93-V139 HydrophobicContact CZ-CG2 4.16Å; F93-Y149 AromaticContact CE1-CE2 3.69Å; F93-Y149 HydrophobicContact CE1-CE2 3.69Å; F93-Y149 AromaticContact CZ-CE2 3.85Å; F93-Y149 HydrophobicContact CZ-CE2 3.85Å
94	D	98	Very high	97	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.3	177.9	-179.9	-13.8	0	0	0	109.5	T24 T96 A97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.3Å; D94-T96 PolarHBondContact O-N 2.98Å; D94-T96 WeakPolarHBondContact OD1-CA 2.98Å; D94-T96 VanDerWaalsContact OD1-CB 3.32Å; D94-T96 WeakPolarHBondContact OD1-CB 3.36Å; D94-T96 PolarHBondContact OD1-N 3.44Å; D94-T96 PolarHBondContact OD1-OG1 2.99Å; D94-T96 PolarHBondContact OD2-OG1 2.8Å; D94-A97 HydrophobicContact CB-CB 4.17Å; D94-A97 PolarHBondContact O-N 3.16Å; D94-T100 HydrophobicContact CB-CG2 4.33Å; D94-T100 PolarHBondContact N-OG1 3.13Å; D94-T100 PolarHBondContact O-OG1 3.37Å; D94-K126 VanDerWaalsContact OD2-CD 3.29Å; D94-K126 WeakPolarHBondContact OD2-CD 3.4Å; D94-K126 WeakPolarHBondContact OD2-CE 3.25Å; D94-K126 IonicContact OD2-NZ 2.63Å; D94-K126 PolarHBondContact OD2-NZ 3.03Å
95	V	97.8	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.1	-179.1	-56.7	0	0	0	0	113.3	F93 N125 V127 R132 Q133 V134	F93-V95 HydrophobicContact CE2-CG1 3.94Å; F93-V95 HydrophobicContact CZ-CG1 4.47Å; V95-N125 WeakPolarHBondContact CG2-O 3.33Å; V95-N125 PolarHBondContact N-O 3.03Å; V95-V127 HydrophobicContact CG1-CG1 4.05Å; V95-V127 HydrophobicContact CG2-CG1 4.18Å; V95-R132 HydrophobicContact CB-CG 4.32Å; V95-R132 HydrophobicContact CG2-CG 4.36Å; V95-Q133 PolarHBondContact O-N 2.81Å; V95-V134 PolarHBondContact O-N 2.8Å
96	T	97.2	Very high	97.2	Very high	35 Å²	35	31.6 Å²	31.6	22%	0.215	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.6	177.8	74.4	0	0	0	0	113.2	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 2.98Å; D94-T96 WeakPolarHBondContact OD1-CA 2.98Å; D94-T96 VanDerWaalsContact OD1-CB 3.32Å; D94-T96 WeakPolarHBondContact OD1-CB 3.36Å; D94-T96 PolarHBondContact OD1-N 3.44Å; D94-T96 PolarHBondContact OD1-OG1 2.99Å; D94-T96 PolarHBondContact OD2-OG1 2.8Å; T96-K126 HydrophobicContact CG2-CB 4.45Å; T96-V129 HydrophobicContact CG2-CB 3.56Å; T96-V129 HydrophobicContact CG2-CG1 3.63Å; T96-V129 HydrophobicContact CG2-CG2 4.24Å; T96-Q133 WeakPolarHBondContact O-CB 3.33Å; T96-Q133 WeakPolarHBondContact O-CG 3.31Å
97	A	97	Very high	97.1	Very high	33 Å²	33	31.4 Å²	31.4	27%	0.273	16%	0.161	S	C	.	.			trans	-131.5	98.4	-176.7	0	0	0	0	0	111.6	D94 L99 T100	D94-A97 HydrophobicContact CB-CB 4.17Å; D94-A97 PolarHBondContact O-N 3.16Å; A97-L99 PolarHBondContact O-N 3.29Å; A97-L99 VanDerWaalsContact O-N 3.14Å; A97-T100 HydrophobicContact CB-CG2 3.81Å; A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.41Å
98	R	96.5	Very high	97	Very high	106 Å²	106	28.6 Å²	28.6	40%	0.4	15%	0.148	S	C	.	.	H	α-helix	trans	-51.9	-40.2	-176	-60.5	-172.1	-174.3	168.5	8.3	113.7	T100 Y101 K102 Q133 V134	R98-T100 PolarHBondContact O-N 3.3Å; R98-Y101 PolarHBondContact O-N 2.88Å; R98-Y101 VanDerWaalsContact O-N 3.1Å; R98-K102 PolarHBondContact O-N 2.93Å; R98-Q133 HydrophobicContact CG-CB 3.84Å; R98-Q133 PolarHBondContact NE-O 2.84Å; R98-V134 HydrophobicContact CG-CG2 4.48Å
99	L	96	Very high	96.8	Very high	111 Å²	111	35.8 Å²	35.8	58%	0.581	18%	0.175	S	C	*	.	H	α-helix	trans	-56.6	-38.9	-179.9	-176.3	61.3	0	0	0	112.1	A97 Y101 K102 N103	A97-L99 PolarHBondContact O-N 3.29Å; A97-L99 VanDerWaalsContact O-N 3.14Å; L99-Y101 VanDerWaalsContact C-N 3.27Å; L99-Y101 PolarHBondContact O-N 3.07Å; L99-K102 WeakPolarHBondContact O-CB 3.41Å; L99-K102 PolarHBondContact O-N 3.14Å; L99-K102 VanDerWaalsContact O-N 3.16Å; L99-N103 PolarHBondContact O-N 3.45Å; L99-N103 PolarHBondContact O-ND2 3.36Å
100	T	97.4	Very high	96.5	Very high	13 Å²	13	37 Å²	37	8%	0.08	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-31.2	-179.1	70.1	0	0	0	0	112.5	D21 T24 D94 A97 R98	D21-T100 HydrophobicContact CB-CG2 3.82Å; D21-T100 WeakPolarHBondContact OD2-CA 3.35Å; T24-T100 HydrophobicContact CG2-CG2 3.86Å; D94-T100 HydrophobicContact CB-CG2 4.33Å; D94-T100 PolarHBondContact N-OG1 3.13Å; D94-T100 PolarHBondContact O-OG1 3.37Å; A97-T100 HydrophobicContact CB-CG2 3.81Å; A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.41Å; R98-T100 PolarHBondContact O-N 3.3Å
101	Y	98	Very high	96.2	Very high	11 Å²	11	37 Å²	37	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-77.1	-40.6	172.6	-177.9	-105.4	0	0	0	111.6	F93 R98 L99 N103 V104 L122 V134 Q138 V139 T140 F141 F220	F93-Y101 AromaticContact CD1-CD2 3.92Å; F93-Y101 HydrophobicContact CD1-CD2 3.92Å; F93-Y101 AromaticContact CD2-CD2 3.96Å; F93-Y101 HydrophobicContact CD2-CD2 3.96Å; F93-Y101 HydrophobicContact CD2-CG 4.3Å; F93-Y101 AromaticContact CE1-CD2 3.82Å; F93-Y101 HydrophobicContact CE1-CD2 3.82Å; F93-Y101 HydrophobicContact CE1-CE2 4.26Å; F93-Y101 AromaticContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CD2 3.89Å; F93-Y101 HydrophobicContact CE2-CG 4.36Å; F93-Y101 AromaticContact CG-CD2 3.97Å; F93-Y101 HydrophobicContact CG-CD2 3.97Å; F93-Y101 AromaticContact CZ-CD2 3.82Å; F93-Y101 HydrophobicContact CZ-CD2 3.82Å; F93-Y101 HydrophobicContact CZ-CE2 4.35Å; R98-Y101 PolarHBondContact O-N 2.88Å; R98-Y101 VanDerWaalsContact O-N 3.1Å; L99-Y101 VanDerWaalsContact C-N 3.27Å; L99-Y101 PolarHBondContact O-N 3.07Å; Y101-N103 PolarHBondContact O-N 2.86Å; Y101-V104 HydrophobicContact CD2-CG2 4.16Å; Y101-V104 VanDerWaalsContact O-CB 3.29Å; Y101-V104 WeakPolarHBondContact O-CB 3.3Å; Y101-V104 WeakPolarHBondContact O-CG2 3.36Å; Y101-V104 PolarHBondContact O-N 3.4Å; Y101-L122 HydrophobicContact CE2-CD2 4.39Å; Y101-V134 HydrophobicContact CD1-CG1 4.12Å; Y101-V134 HydrophobicContact CD2-CG1 4.47Å; Y101-V134 HydrophobicContact CG-CG1 3.98Å; Y101-Q138 VanDerWaalsContact CE1-O 3.25Å; Y101-Q138 WeakPolarHBondContact CE1-O 3.45Å; Y101-Q138 PolarHBondContact OH-O 2.68Å; Y101-V139 HydrophobicContact CE2-CB 4.39Å; Y101-V139 HydrophobicContact CE2-CG1 3.84Å; Y101-V139 HydrophobicContact CE2-CG2 4.42Å; Y101-V139 VanDerWaalsContact OH-CA 3.31Å; Y101-V139 WeakPolarHBondContact OH-CA 3.44Å; Y101-T140 PolarHBondContact OH-N 2.86Å; Y101-F141 HydrophobicContact CE2-CB 4.48Å; Y101-F141 WeakPolarHBondContact OH-CB 3.38Å; Y101-F141 PolarHBondContact OH-N 3.4Å; Y101-F220 HydrophobicContact CD1-CE1 4.37Å; Y101-F220 AromaticContact CD1-CZ 3.77Å; Y101-F220 HydrophobicContact CD1-CZ 3.77Å; Y101-F220 AromaticContact CE1-CZ 3.88Å; Y101-F220 HydrophobicContact CE1-CZ 3.88Å
102	K	96.4	Very high	96	Very high	119 Å²	119	39.1 Å²	39.1	52%	0.517	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-30.4	174.4	-175	173	-178.9	168.4	0	112.5	R98 L99 P105	R98-K102 PolarHBondContact O-N 2.93Å; L99-K102 WeakPolarHBondContact O-CB 3.41Å; L99-K102 PolarHBondContact O-N 3.14Å; L99-K102 VanDerWaalsContact O-N 3.16Å; K102-P105 VanDerWaalsContact O-CD 3.32Å; K102-P105 WeakPolarHBondContact O-CD 3.42Å
103	N	95.7	Very high	95.7	Very high	35 Å²	35	48 Å²	48	19%	0.187	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.5	178.6	-69.8	-20	0	0	0	114.6	D21 L99 Y101 P105 T106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.28Å; D21-N103 PolarHBondContact OD1-ND2 3.23Å; D21-N103 PolarHBondContact OD2-ND2 3.42Å; L99-N103 PolarHBondContact O-N 3.45Å; L99-N103 PolarHBondContact O-ND2 3.36Å; Y101-N103 PolarHBondContact O-N 2.86Å; N103-P105 VanDerWaalsContact C-CD 3.48Å; N103-T106 WeakPolarHBondContact O-CB 3.32Å; N103-T106 PolarHBondContact O-N 3.48Å; N103-W107 VanDerWaalsContact O-CD1 3.24Å; N103-W107 PolarHBondContact O-N 2.92Å
104	V	96.9	Very high	95.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-53.4	-44.3	178.5	166.8	0	0	0	0	113.2	I91 F93 Y101 T106 W107 H108 L122 F141	I91-V104 HydrophobicContact CG2-CG1 4.18Å; I91-V104 HydrophobicContact CG2-CG2 4.3Å; F93-V104 HydrophobicContact CB-CG2 4Å; F93-V104 HydrophobicContact CD1-CG2 4.2Å; F93-V104 HydrophobicContact CG-CG2 4.38Å; Y101-V104 HydrophobicContact CD2-CG2 4.16Å; Y101-V104 VanDerWaalsContact O-CB 3.29Å; Y101-V104 WeakPolarHBondContact O-CB 3.3Å; Y101-V104 WeakPolarHBondContact O-CG2 3.36Å; Y101-V104 PolarHBondContact O-N 3.4Å; V104-T106 VanDerWaalsContact C-N 3.27Å; V104-T106 PolarHBondContact O-N 2.94Å; V104-W107 PolarHBondContact O-N 3.22Å; V104-H108 WeakPolarHBondContact O-CB 3.33Å; V104-H108 PolarHBondContact O-N 2.94Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.96Å; V104-F141 HydrophobicContact CG1-CD1 3.44Å; V104-F141 VanDerWaalsContact CG1-CD1 3.44Å; V104-F141 HydrophobicContact CG1-CE1 3.73Å; V104-F141 HydrophobicContact CG1-CG 4.02Å
105	P	95.8	Very high	95.3	Very high	57 Å²	57	50.1 Å²	50.1	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-56.6	-38	175.9	-25.4	34.8	0	0	0	113.8	K102 N103 R109 F141	K102-P105 VanDerWaalsContact O-CD 3.32Å; K102-P105 WeakPolarHBondContact O-CD 3.42Å; N103-P105 VanDerWaalsContact C-CD 3.48Å; P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.43Å; P105-R109 PolarHBondContact O-N 3.16Å; P105-F141 HydrophobicContact CB-CD2 4.34Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.26Å; P105-F141 HydrophobicContact CG-CD2 3.8Å; P105-F141 HydrophobicContact CG-CE2 3.7Å; P105-F141 HydrophobicContact CG-CZ 4.47Å
106	T	93.6	Very high	94.8	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-51.5	176.9	-57.2	0	0	0	0	110.8	N103 V104 H108 R109 D110	N103-T106 WeakPolarHBondContact O-CB 3.32Å; N103-T106 PolarHBondContact O-N 3.48Å; V104-T106 VanDerWaalsContact C-N 3.27Å; V104-T106 PolarHBondContact O-N 2.94Å; T106-H108 VanDerWaalsContact C-N 3.31Å; T106-H108 PolarHBondContact O-N 3.1Å; T106-R109 PolarHBondContact O-N 3Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 2.81Å
107	W	95	Very high	94.6	Very high	3 Å²	3	63.5 Å²	63.5	1%	0.011	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-42.4	177.4	-72.1	108.4	0	0	0	112.7	V19 G20 D21 R79 I91 N103 V104 L111	V19-W107 HydrophobicContact CB-CD2 4.34Å; V19-W107 HydrophobicContact CB-CE3 3.71Å; V19-W107 HydrophobicContact CB-CZ3 4.12Å; V19-W107 HydrophobicContact CG1-CE3 4.37Å; V19-W107 HydrophobicContact CG2-CB 4.21Å; V19-W107 HydrophobicContact CG2-CE3 4.31Å; G20-W107 VanDerWaalsContact C-CE2 3.41Å; G20-W107 VanDerWaalsContact C-CZ2 3.44Å; G20-W107 WeakPolarHBondContact O-CZ2 3.47Å; D21-W107 PolarHBondContact OD1-NE1 2.88Å; R79-W107 VanDerWaalsContact NE-CH2 3.31Å; I91-W107 HydrophobicContact CG2-CB 4.15Å; N103-W107 VanDerWaalsContact O-CD1 3.24Å; N103-W107 PolarHBondContact O-N 2.92Å; V104-W107 PolarHBondContact O-N 3.22Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.27Å; W107-L111 PolarHBondContact O-N 3.33Å
108	H	95.3	Very high	94.6	Very high	22 Å²	22	63.3 Å²	63.3	10%	0.102	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-47.3	176.5	176.2	-80.1	0	0	0	111.8	I91 V104 T106 D110 L111 C112 F141	I91-H108 HydrophobicContact CD1-CB 3.73Å; V104-H108 WeakPolarHBondContact O-CB 3.33Å; V104-H108 PolarHBondContact O-N 2.94Å; T106-H108 VanDerWaalsContact C-N 3.31Å; T106-H108 PolarHBondContact O-N 3.1Å; H108-D110 VanDerWaalsContact C-N 3.35Å; H108-D110 PolarHBondContact O-N 3.44Å; H108-L111 PolarHBondContact O-N 2.99Å; H108-C112 PolarHBondContact CE1-SG 3.44Å; H108-C112 WeakPolarHBondContact O-CB 3.48Å; H108-C112 PolarHBondContact O-N 3.26Å; H108-C112 PolarHBondContact O-SG 2.94Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; H108-F141 HydrophobicContact CB-CE1 3.69Å; H108-F141 HydrophobicContact CB-CZ 3.6Å; H108-F141 AromaticContact CD2-CE1 3.82Å; H108-F141 AromaticContact CG-CE1 3.7Å; H108-F141 AromaticContact CG-CZ 3.59Å; H108-F141 AromaticContact ND1-CZ 3.95Å
109	R	93.2	Very high	94.7	Very high	152 Å²	152	59.8 Å²	59.8	57%	0.574	29%	0.293	S	S	*	.	H	α-helix	trans	-57.4	-48.7	178.1	179.3	-162.6	66.9	-160.4	-2.2	111.1	P105 T106 C112 R113	P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.43Å; P105-R109 PolarHBondContact O-N 3.16Å; T106-R109 PolarHBondContact O-N 3Å; R109-C112 PolarHBondContact O-N 3.07Å; R109-R113 WeakPolarHBondContact O-CB 3.43Å; R109-R113 PolarHBondContact O-N 2.95Å
110	D	92.3	Very high	94.8	Very high	24 Å²	24	55 Å²	55	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-39.2	-176.5	-62.2	-9.2	0	0	0	111.1	Y83 T106 H108	Y83-D110 HydrophobicContact CE2-CB 4.19Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 2.81Å; H108-D110 VanDerWaalsContact C-N 3.35Å; H108-D110 PolarHBondContact O-N 3.44Å
111	L	93.8	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-50.9	173.5	-180	71.6	0	0	0	111.7	V17 Y83 A89 W107 H108 R113 V114 C115 I118 I120	V17-L111 HydrophobicContact CB-CD1 4.45Å; Y83-L111 HydrophobicContact CD1-CD1 4.15Å; Y83-L111 HydrophobicContact CD2-CD1 4.5Å; Y83-L111 HydrophobicContact CG-CD1 4.13Å; A89-L111 HydrophobicContact CB-CD1 4.19Å; A89-L111 HydrophobicContact CB-CD2 3.4Å; A89-L111 VanDerWaalsContact CB-CD2 3.4Å; A89-L111 HydrophobicContact CB-CG 4.42Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.27Å; W107-L111 PolarHBondContact O-N 3.33Å; H108-L111 PolarHBondContact O-N 2.99Å; L111-R113 PolarHBondContact O-N 3.09Å; L111-V114 PolarHBondContact O-N 3.12Å; L111-V114 VanDerWaalsContact O-N 3.08Å; L111-C115 PolarHBondContact O-N 3.23Å; L111-I118 HydrophobicContact CD1-CD1 4.39Å; L111-I118 HydrophobicContact CD2-CD1 4.34Å; L111-I118 HydrophobicContact CG-CD1 4.43Å; L111-I120 HydrophobicContact CD2-CD1 3.7Å; L111-I120 HydrophobicContact CD2-CG1 4.03Å
112	C	93.9	Very high	94.9	Very high	45 Å²	45	53.9 Å²	53.9	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-68.4	-21	-177.6	-71	0	0	0	0	113.5	H108 R109 V114	H108-C112 PolarHBondContact CE1-SG 3.44Å; H108-C112 WeakPolarHBondContact O-CB 3.48Å; H108-C112 PolarHBondContact O-N 3.26Å; H108-C112 PolarHBondContact O-SG 2.94Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; R109-C112 PolarHBondContact O-N 3.07Å; C112-V114 PolarHBondContact O-N 2.83Å
113	R	92.5	Very high	95	Very high	187 Å²	187	48.2 Å²	48.2	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-63.9	-28.4	171.3	-177.4	-179	174.5	-151.1	-2.2	112.4	D80 R109 L111	D80-R113 IonicContact OD2-CZ 3.97Å; D80-R113 IonicContact OD2-NH1 3.36Å; D80-R113 PolarHBondContact OD2-NH1 2.92Å; R109-R113 WeakPolarHBondContact O-CB 3.43Å; R109-R113 PolarHBondContact O-N 2.95Å; L111-R113 PolarHBondContact O-N 3.09Å
114	V	94	Very high	95.1	Very high	48 Å²	48	46.5 Å²	46.5	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-106.4	-37.1	-177.8	-175.7	0	0	0	0	112.3	D80 Y83 I84 L111 C112	D80-V114 HydrophobicContact CB-CG2 3.97Å; Y83-V114 HydrophobicContact CD2-CB 4.31Å; Y83-V114 HydrophobicContact CD2-CG2 4.04Å; I84-V114 HydrophobicContact CG1-CG1 3.97Å; L111-V114 PolarHBondContact O-N 3.12Å; L111-V114 VanDerWaalsContact O-N 3.08Å; C112-V114 PolarHBondContact O-N 2.83Å
115	C	92.9	Very high	95.2	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.047	23%	0.229	C	C	.	.	S	Bend	trans	-114.9	100.1	-179.1	-62.8	0	0	0	0	110.4	Y83 L111 I118	Y83-C115 PolarHBondContact O-SG 3.31Å; L111-C115 PolarHBondContact O-N 3.23Å; C115-I118 HydrophobicContact CB-CD1 3.55Å; C115-I118 HydrophobicContact CB-CG1 3.87Å; C115-I118 HydrophobicContact CB-CG2 4.07Å
116	E	88.8	Confident	95.2	Very high	159 Å²	159	46.7 Å²	46.7	74%	0.743	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	135.6	174.5	-63.3	-177.4	-174.7	0	0	110.8	I118	E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.49Å
117	N	91.4	Very high	95.4	Very high	157 Å²	157	45.3 Å²	45.3	84%	0.84	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	29.3	168.6	-55.5	-47.8	0	0	0	116.9
118	I	97.2	Very high	95.4	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.149	22%	0.223	C	C	.	.			trans	-84.4	148.9	173.2	61.3	164.4	0	0	0	112	G86 Q87 A89 L111 C115 E116 I120	G86-I118 WeakPolarHBondContact O-CG2 3.41Å; Q87-I118 WeakPolarHBondContact O-CB 3.42Å; A89-I118 HydrophobicContact CB-CD1 4.04Å; L111-I118 HydrophobicContact CD1-CD1 4.39Å; L111-I118 HydrophobicContact CD2-CD1 4.34Å; L111-I118 HydrophobicContact CG-CD1 4.43Å; C115-I118 HydrophobicContact CB-CD1 3.55Å; C115-I118 HydrophobicContact CB-CG1 3.87Å; C115-I118 HydrophobicContact CB-CG2 4.07Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.49Å; I118-I120 HydrophobicContact CD1-CG1 4.38Å; I118-I120 HydrophobicContact CG1-CD1 4.33Å; I118-I120 HydrophobicContact CG1-CG1 4.04Å; I118-I120 PolarHBondContact O-N 3.48Å
119	P	98.2	Very high	95.3	Very high	32 Å²	32	48.5 Å²	48.5	21%	0.208	24%	0.235	C	C	.	.			trans	-63.5	129	169.5	-21.1	33.6	0	0	0	111.3	Q87 C88 A89 L167 K170 L171	Q87-P119 WeakPolarHBondContact O-CD 3.47Å; C88-P119 VanDerWaalsContact CA-O 3.28Å; C88-P119 WeakPolarHBondContact CA-O 3.34Å; C88-P119 WeakPolarHBondContact CB-O 3.45Å; A89-P119 PolarHBondContact N-O 2.96Å; P119-L167 HydrophobicContact CB-CD2 3.77Å; P119-L167 WeakPolarHBondContact O-CD2 3.41Å; P119-K170 HydrophobicContact CB-CB 3.88Å; P119-K170 HydrophobicContact CB-CG 4.3Å; P119-K170 HydrophobicContact CG-CB 3.76Å; P119-L171 HydrophobicContact CG-CD2 4.45Å
120	I	98.5	Very high	95.2	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	-179.8	-57.8	166	0	0	0	109.6	A89 I91 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.22Å; A89-I120 WeakPolarHBondContact O-CA 3.27Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.86Å; L111-I120 HydrophobicContact CD2-CD1 3.7Å; L111-I120 HydrophobicContact CD2-CG1 4.03Å; I118-I120 HydrophobicContact CD1-CG1 4.38Å; I118-I120 HydrophobicContact CG1-CD1 4.33Å; I118-I120 HydrophobicContact CG1-CG1 4.04Å; I118-I120 PolarHBondContact O-N 3.48Å; I120-L147 HydrophobicContact CB-CD2 3.96Å; I120-L147 HydrophobicContact CD1-CD2 4.5Å; I120-L147 HydrophobicContact CG2-CD1 4.2Å; I120-L147 HydrophobicContact CG2-CD2 4.34Å
121	V	98.7	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	170.7	-176.3	0	0	0	0	109.6	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 3.15Å; I90-V121 CarbonylContact C-O 3.48Å; I90-V121 WeakPolarHBondContact CA-O 3.22Å; I90-V121 HydrophobicContact CG1-CB 4.45Å; I91-V121 PolarHBondContact N-O 3.13Å; V121-Q148 CarbonylContact C-O 3.58Å; V121-Q148 WeakPolarHBondContact CA-O 3.46Å; V121-Q148 HydrophobicContact CG2-CB 4.38Å; V121-Y150 HydrophobicContact CG1-CD2 3.77Å; V121-Y150 HydrophobicContact CG1-CE2 4.37Å; V121-P163 HydrophobicContact CB-CB 4.48Å; V121-P163 HydrophobicContact CG1-CB 4.05Å; V121-P163 HydrophobicContact CG1-CG 4.44Å; V121-Y166 HydrophobicContact CG2-CD1 3.4Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.4Å; V121-Y166 HydrophobicContact CG2-CE1 3.97Å; V121-Y166 HydrophobicContact CG2-CG 4.27Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; V121-L167 HydrophobicContact CG2-CD2 3.78Å; V121-L167 HydrophobicContact CG2-CG 3.79Å
122	L	98.7	Very high	95.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.6	166.6	-177.9	65.5	0	0	0	109.3	I91 F93 Y101 V104 V139 H142 Q148 Y149 Y150	I91-L122 HydrophobicContact CB-CD1 4.12Å; I91-L122 HydrophobicContact CG2-CD1 4.11Å; I91-L122 CarbonylContact O-C 3.5Å; I91-L122 WeakPolarHBondContact O-CA 3.45Å; F93-L122 HydrophobicContact CD1-CD1 3.84Å; F93-L122 HydrophobicContact CD1-CG 4.23Å; F93-L122 HydrophobicContact CE1-CD1 4.1Å; F93-L122 HydrophobicContact CE1-CD2 4.19Å; F93-L122 HydrophobicContact CE1-CG 3.98Å; Y101-L122 HydrophobicContact CE2-CD2 4.39Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.96Å; L122-V139 HydrophobicContact CD2-CG1 4.35Å; L122-H142 HydrophobicContact CB-CB 4.46Å; L122-H142 HydrophobicContact CD2-CB 3.99Å; L122-Q148 PolarHBondContact N-O 3.08Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.93Å; L122-Y149 HydrophobicContact CD2-CE2 4.45Å; L122-Y149 HydrophobicContact CG-CD2 3.86Å; L122-Y149 HydrophobicContact CG-CE2 4.38Å; L122-Y149 WeakPolarHBondContact O-CA 3.34Å; L122-Y149 VanDerWaalsContact O-CD2 3.31Å; L122-Y149 WeakPolarHBondContact O-CD2 3.35Å; L122-Y150 PolarHBondContact O-N 2.78Å
123	C	98.7	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.2	179	-69.2	0	0	0	0	111.3	I90 I91 M92 F93 Y150 I152 P163	I90-C123 HydrophobicContact CG2-CB 4.22Å; I91-C123 PolarHBondContact O-N 3.47Å; M92-C123 WeakPolarHBondContact CA-O 3.47Å; M92-C123 HydrophobicContact CG-CB 4.47Å; F93-C123 VanDerWaalsContact CD1-O 3.27Å; F93-C123 WeakPolarHBondContact CD1-O 3.29Å; F93-C123 PolarHBondContact N-O 3.46Å; C123-Y150 VanDerWaalsContact CA-O 3.31Å; C123-Y150 WeakPolarHBondContact CA-O 3.5Å; C123-I152 HydrophobicContact CB-CD1 3.91Å; C123-I152 HydrophobicContact CB-CG1 4.26Å; C123-P163 VanDerWaalsContact SG-CG 3.54Å
124	G	98.5	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	101.8	166.8	0	0	0	0	0	109.6	F93 Y150 E151 I152	F93-G124 VanDerWaalsContact CE1-CA 3.48Å; F93-G124 VanDerWaalsContact CZ-CA 3.46Å; G124-Y150 PolarHBondContact N-O 3.03Å; G124-E151 WeakPolarHBondContact O-CA 3.29Å; G124-I152 PolarHBondContact O-N 3.48Å
125	N	98.3	Very high	95.3	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	165.8	-177.6	-170.1	30.3	0	0	0	112.2	T24 M92 F93 V95 I152 A154	T24-N125 PolarHBondContact O-ND2 2.89Å; M92-N125 HydrophobicContact CG-CB 4Å; M92-N125 HydrophobicContact SD-CB 3.87Å; F93-N125 PolarHBondContact O-N 2.79Å; V95-N125 WeakPolarHBondContact CG2-O 3.33Å; V95-N125 PolarHBondContact N-O 3.03Å; N125-I152 CarbonylContact C-O 3.56Å; N125-I152 VanDerWaalsContact CA-O 3.32Å; N125-I152 WeakPolarHBondContact CA-O 3.37Å; N125-I152 HydrophobicContact CB-CD1 4.24Å; N125-I152 HydrophobicContact CB-CG1 3.93Å; N125-I152 PolarHBondContact OD1-O 3.32Å; N125-A154 PolarHBondContact OD1-N 2.83Å
126	K	96.9	Very high	95.2	Very high	58 Å²	58	52.5 Å²	52.5	25%	0.252	26%	0.256	S	S	.	.			trans	69.7	32.9	176.7	-47	-167.8	-165.4	165.2	0	114.8	G23 D94 T96 D128 V129 I152	G23-K126 VanDerWaalsContact O-CE 3.31Å; G23-K126 WeakPolarHBondContact O-CE 3.46Å; G23-K126 PolarHBondContact O-NZ 3.27Å; D94-K126 VanDerWaalsContact OD2-CD 3.29Å; D94-K126 WeakPolarHBondContact OD2-CD 3.4Å; D94-K126 WeakPolarHBondContact OD2-CE 3.25Å; D94-K126 IonicContact OD2-NZ 2.63Å; D94-K126 PolarHBondContact OD2-NZ 3.03Å; T96-K126 HydrophobicContact CG2-CB 4.45Å; K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.01Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-V129 HydrophobicContact CB-CG2 4.16Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 PolarHBondContact O-N 3.22Å; K126-I152 PolarHBondContact N-O 2.76Å
127	V	96.8	Very high	95.2	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.5	173.9	-59.9	0	0	0	0	114.1	V95 V129 E151 I152 Y158 L192	V95-V127 HydrophobicContact CG1-CG1 4.05Å; V95-V127 HydrophobicContact CG2-CG1 4.18Å; V127-V129 PolarHBondContact O-N 3.42Å; V127-E151 HydrophobicContact CG1-CB 3.84Å; V127-E151 HydrophobicContact CG1-CG 4.1Å; V127-I152 WeakPolarHBondContact CG2-O 3.29Å; V127-I152 PolarHBondContact N-O 3.39Å; V127-Y158 HydrophobicContact CG2-CD1 3.84Å; V127-Y158 HydrophobicContact CG2-CG 4.49Å; V127-L192 HydrophobicContact CG2-CD1 4.09Å
128	D	94.7	Very high	95.1	Very high	34 Å²	34	47.4 Å²	47.4	18%	0.182	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.9	169.6	59.3	-72.9	0	0	0	114.1	K126 S153 K155 V190 L192	K126-D128 WeakPolarHBondContact CA-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.01Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-S153 VanDerWaalsContact CG-OG 3.23Å; D128-S153 WeakPolarHBondContact OD1-CB 3.46Å; D128-S153 PolarHBondContact OD1-OG 2.92Å; D128-K155 VanDerWaalsContact OD2-CD 3.31Å; D128-K155 WeakPolarHBondContact OD2-CD 3.25Å; D128-V190 HydrophobicContact CB-CG2 3.71Å; D128-L192 HydrophobicContact CB-CD1 4.06Å
129	V	94	Very high	95	Very high	57 Å²	57	46.2 Å²	46.2	35%	0.345	22%	0.219	S	C	.	.			trans	-91.6	120.6	-178.4	-177.8	0	0	0	0	110.5	T96 K126 V127 N131	T96-V129 HydrophobicContact CG2-CB 3.56Å; T96-V129 HydrophobicContact CG2-CG1 3.63Å; T96-V129 HydrophobicContact CG2-CG2 4.24Å; K126-V129 HydrophobicContact CB-CG2 4.16Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 PolarHBondContact O-N 3.22Å; V127-V129 PolarHBondContact O-N 3.42Å; V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 HydrophobicContact CG1-CB 4.49Å; V129-N131 PolarHBondContact O-N 3.14Å
130	K	90.4	Very high	94.8	Very high	197 Å²	197	45.9 Å²	45.9	86%	0.857	22%	0.216	S	C	*	.	S	Bend	trans	-59.1	-33	-177.8	-66.5	-174.5	176.2	-174.9	0	114.3	R132	K130-R132 PolarHBondContact O-N 3.05Å
131	N	91.8	Very high	94.7	Very high	104 Å²	104	46.4 Å²	46.4	56%	0.556	22%	0.218	S	C	*	.			trans	-79.1	59.7	-179.9	-172	27.2	0	0	0	111.8	V129 Q133	V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 HydrophobicContact CG1-CB 4.49Å; V129-N131 PolarHBondContact O-N 3.14Å; N131-Q133 PolarHBondContact O-N 3.3Å; N131-Q133 PolarHBondContact OD1-NE2 3.41Å
132	R	94.6	Very high	94.6	Very high	44 Å²	44	47.8 Å²	47.8	17%	0.166	22%	0.224	C	C	.	.			trans	-68.3	124.4	176.6	-178.7	173.7	-179	141.9	8.5	110.1	V95 K130 V134 E151 N200	V95-R132 HydrophobicContact CB-CG 4.32Å; V95-R132 HydrophobicContact CG2-CG 4.36Å; K130-R132 PolarHBondContact O-N 3.05Å; R132-V134 PolarHBondContact NE-O 3.05Å; R132-V134 PolarHBondContact NH2-O 3.41Å; R132-V134 VanDerWaalsContact NH2-O 3.09Å; R132-E151 IonicContact CZ-OE1 3.21Å; R132-E151 IonicContact CZ-OE2 3.86Å; R132-E151 IonicContact NH1-OE1 2.96Å; R132-E151 PolarHBondContact NH1-OE1 3.28Å; R132-E151 IonicContact NH1-OE2 2.86Å; R132-E151 PolarHBondContact NH1-OE2 3.02Å; R132-E151 IonicContact NH2-OE1 3.51Å; R132-E151 PolarHBondContact NH2-OE1 2.79Å; R132-N200 VanDerWaalsContact NH1-CG 3.29Å; R132-N200 PolarHBondContact NH1-ND2 2.76Å
133	Q	95.9	Very high	94.3	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	24%	0.237	S	C	.	.			trans	-107	-25.1	-177.8	-68.4	-67.6	-23	0	0	113.3	V95 T96 R98 N131	V95-Q133 PolarHBondContact O-N 2.81Å; T96-Q133 WeakPolarHBondContact O-CB 3.33Å; T96-Q133 WeakPolarHBondContact O-CG 3.31Å; R98-Q133 HydrophobicContact CG-CB 3.84Å; R98-Q133 PolarHBondContact NE-O 2.84Å; N131-Q133 PolarHBondContact O-N 3.3Å; N131-Q133 PolarHBondContact OD1-NE2 3.41Å
134	V	95.4	Very high	94	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-100.7	99.8	175.6	-174.6	0	0	0	0	108.7	F93 V95 R98 Y101 R132 V139	F93-V134 HydrophobicContact CE2-CB 4.28Å; F93-V134 HydrophobicContact CE2-CG1 4.02Å; F93-V134 HydrophobicContact CE2-CG2 4.45Å; V95-V134 PolarHBondContact O-N 2.8Å; R98-V134 HydrophobicContact CG-CG2 4.48Å; Y101-V134 HydrophobicContact CD1-CG1 4.12Å; Y101-V134 HydrophobicContact CD2-CG1 4.47Å; Y101-V134 HydrophobicContact CG-CG1 3.98Å; R132-V134 PolarHBondContact NE-O 3.05Å; R132-V134 PolarHBondContact NH2-O 3.41Å; R132-V134 VanDerWaalsContact NH2-O 3.09Å; V134-V139 HydrophobicContact CG1-CG2 3.66Å
135	K	92.2	Very high	93.8	Very high	144 Å²	144	60 Å²	60	63%	0.626	28%	0.275	S	S	*	.			trans	-71.9	150.9	-178.5	-61	-176.4	-178.7	178.7	0	110.7	K137 Q138	K135-K137 PolarHBondContact O-N 3.31Å; K135-K137 VanDerWaalsContact O-N 3.14Å; K135-Q138 HydrophobicContact CB-CG 4.39Å; K135-Q138 WeakPolarHBondContact O-CB 3.38Å; K135-Q138 PolarHBondContact O-N 2.9Å
136	A	88.8	Confident	93.6	Very high	4 Å²	4	67 Å²	67	3%	0.033	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-47	-45.2	178.3	0	0	0	0	0	113.3	Q138 V139 D203 L204	A136-Q138 PolarHBondContact O-N 2.71Å; A136-V139 PolarHBondContact O-N 2.62Å; A136-V139 VanDerWaalsContact O-N 3.08Å; A136-D203 HydrophobicContact CB-CB 3.71Å; A136-L204 HydrophobicContact CB-CB 4.43Å; A136-L204 HydrophobicContact CB-CD2 3.7Å; A136-L204 HydrophobicContact CB-CG 3.66Å
137	K	89	Confident	93.6	Very high	155 Å²	155	65.1 Å²	65.1	67%	0.674	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.2	-23.3	179	-64.8	-177.3	178.5	-178.5	0	114.7	K135 A207	K135-K137 PolarHBondContact O-N 3.31Å; K135-K137 VanDerWaalsContact O-N 3.14Å; K137-A207 HydrophobicContact CG-CB 4.26Å
138	Q	91	Very high	93.6	Very high	54 Å²	54	67.4 Å²	67.4	25%	0.252	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-82.9	-17.2	178.5	-63	174.3	-59	0	0	112	Y101 K135 A136 T140 F220	Y101-Q138 VanDerWaalsContact CE1-O 3.25Å; Y101-Q138 WeakPolarHBondContact CE1-O 3.45Å; Y101-Q138 PolarHBondContact OH-O 2.68Å; K135-Q138 HydrophobicContact CB-CG 4.39Å; K135-Q138 WeakPolarHBondContact O-CB 3.38Å; K135-Q138 PolarHBondContact O-N 2.9Å; A136-Q138 PolarHBondContact O-N 2.71Å; Q138-T140 PolarHBondContact O-N 2.85Å; Q138-F220 HydrophobicContact CB-CZ 4.45Å
139	V	94.1	Very high	93.8	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.024	31%	0.31	C	S	.	.			trans	-85.6	77.2	-175.7	-170	0	0	0	0	110.6	F93 Y101 L122 V134 A136 H142 Y149	F93-V139 HydrophobicContact CZ-CG1 4.25Å; F93-V139 HydrophobicContact CZ-CG2 4.16Å; Y101-V139 HydrophobicContact CE2-CB 4.39Å; Y101-V139 HydrophobicContact CE2-CG1 3.84Å; Y101-V139 HydrophobicContact CE2-CG2 4.42Å; Y101-V139 VanDerWaalsContact OH-CA 3.31Å; Y101-V139 WeakPolarHBondContact OH-CA 3.44Å; L122-V139 HydrophobicContact CD2-CG1 4.35Å; V134-V139 HydrophobicContact CG1-CG2 3.66Å; A136-V139 PolarHBondContact O-N 2.62Å; A136-V139 VanDerWaalsContact O-N 3.08Å; V139-H142 PolarHBondContact O-CE1 3.27Å; V139-H142 PolarHBondContact O-ND1 3Å; V139-Y149 HydrophobicContact CG1-CD1 4.32Å; V139-Y149 HydrophobicContact CG1-CD2 4.16Å; V139-Y149 HydrophobicContact CG1-CE1 3.97Å; V139-Y149 HydrophobicContact CG1-CE2 3.81Å; V139-Y149 HydrophobicContact CG1-CG 4.41Å
140	T	95	Very high	94	Very high	24 Å²	24	66.1 Å²	66.1	15%	0.147	30%	0.302	C	S	.	.			trans	-107.8	-14.2	-177.2	58.6	0	0	0	0	114.4	Y101 Q138 H142 R143 K144 L212 P213	Y101-T140 PolarHBondContact OH-N 2.86Å; Q138-T140 PolarHBondContact O-N 2.85Å; T140-H142 VanDerWaalsContact C-N 3.3Å; T140-H142 PolarHBondContact O-N 2.94Å; T140-R143 WeakPolarHBondContact O-CB 3.45Å; T140-R143 PolarHBondContact O-N 3.3Å; T140-K144 PolarHBondContact O-N 2.82Å; T140-L212 HydrophobicContact CG2-CD2 4.47Å; T140-P213 HydrophobicContact CG2-CG 4.36Å
141	F	96.1	Very high	94.3	Very high	21 Å²	21	57 Å²	57	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-39.7	-171.5	-175.8	-98.8	0	0	0	113.3	Y101 V104 P105 H108 R143 K144 K145 L147	Y101-F141 HydrophobicContact CE2-CB 4.48Å; Y101-F141 WeakPolarHBondContact OH-CB 3.38Å; Y101-F141 PolarHBondContact OH-N 3.4Å; V104-F141 HydrophobicContact CG1-CD1 3.44Å; V104-F141 VanDerWaalsContact CG1-CD1 3.44Å; V104-F141 HydrophobicContact CG1-CE1 3.73Å; V104-F141 HydrophobicContact CG1-CG 4.02Å; P105-F141 HydrophobicContact CB-CD2 4.34Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.26Å; P105-F141 HydrophobicContact CG-CD2 3.8Å; P105-F141 HydrophobicContact CG-CE2 3.7Å; P105-F141 HydrophobicContact CG-CZ 4.47Å; H108-F141 HydrophobicContact CB-CE1 3.69Å; H108-F141 HydrophobicContact CB-CZ 3.6Å; H108-F141 AromaticContact CD2-CE1 3.82Å; H108-F141 AromaticContact CG-CE1 3.7Å; H108-F141 AromaticContact CG-CZ 3.59Å; H108-F141 AromaticContact ND1-CZ 3.95Å; F141-R143 VanDerWaalsContact C-N 3.25Å; F141-R143 PolarHBondContact O-N 2.62Å; F141-K144 PolarHBondContact O-N 3.27Å; F141-K144 VanDerWaalsContact O-N 3.14Å; F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CB 4.34Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.92Å; F141-K145 HydrophobicContact CZ-CD 4.49Å; F141-K145 HydrophobicContact CZ-CG 3.52Å; F141-K145 PolarHBondContact O-N 3.37Å; F141-L147 HydrophobicContact CD1-CD1 4.24Å; F141-L147 HydrophobicContact CE1-CD1 4.04Å
142	H	95	Very high	94.6	Very high	29 Å²	29	52 Å²	52	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-35.2	178.3	69.2	-84.9	0	0	0	112.4	L122 V139 T140 N146 L147	L122-H142 HydrophobicContact CB-CB 4.46Å; L122-H142 HydrophobicContact CD2-CB 3.99Å; V139-H142 PolarHBondContact O-CE1 3.27Å; V139-H142 PolarHBondContact O-ND1 3Å; T140-H142 VanDerWaalsContact C-N 3.3Å; T140-H142 PolarHBondContact O-N 2.94Å; H142-N146 CarbonylContact O-C 3.58Å; H142-N146 WeakPolarHBondContact O-CA 3.38Å; H142-N146 PolarHBondContact O-N 3.34Å; H142-L147 HydrophobicContact CB-CB 4.03Å; H142-L147 PolarHBondContact O-N 3.25Å
143	R	93.6	Very high	94.7	Very high	73 Å²	73	49.9 Å²	49.9	28%	0.275	23%	0.228	S	C	.	.	H	α-helix	trans	-69.4	-43.6	175.5	-60.7	174.6	61.7	-156.8	-4.2	111.1	T140 F141 K145 N146 A207 A208 Q210 L212	T140-R143 WeakPolarHBondContact O-CB 3.45Å; T140-R143 PolarHBondContact O-N 3.3Å; F141-R143 VanDerWaalsContact C-N 3.25Å; F141-R143 PolarHBondContact O-N 2.62Å; R143-K145 PolarHBondContact O-N 2.98Å; R143-N146 PolarHBondContact O-N 2.71Å; R143-A207 PolarHBondContact NH1-O 3.46Å; R143-A208 PolarHBondContact NH2-O 3.4Å; R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.73Å; R143-Q210 PolarHBondContact NH2-O 3.11Å; R143-L212 HydrophobicContact CB-CD1 4.36Å; R143-L212 HydrophobicContact CB-CD2 3.72Å; R143-L212 HydrophobicContact CG-CD2 4.45Å
144	K	92.4	Very high	94.6	Very high	76 Å²	76	47.4 Å²	47.4	33%	0.33	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-31.5	177.7	-64.6	-173.9	179.4	-169.4	0	112.8	T140 F141 L212 D215	T140-K144 PolarHBondContact O-N 2.82Å; F141-K144 PolarHBondContact O-N 3.27Å; F141-K144 VanDerWaalsContact O-N 3.14Å; K144-L212 HydrophobicContact CG-CD1 4.03Å; K144-L212 HydrophobicContact CG-CD2 4.24Å; K144-D215 WeakPolarHBondContact CE-OD1 3.48Å; K144-D215 IonicContact NZ-OD1 3.04Å; K144-D215 PolarHBondContact NZ-OD1 3.22Å
145	K	94.5	Very high	94.5	Very high	107 Å²	107	50.6 Å²	50.6	47%	0.465	23%	0.231	S	C	.	.	H	α-helix	trans	-110.1	7	-177.6	-63.4	-57.1	-176.3	-172.6	0	114.7	F141 R143 L147	F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CB 4.34Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.92Å; F141-K145 HydrophobicContact CZ-CD 4.49Å; F141-K145 HydrophobicContact CZ-CG 3.52Å; F141-K145 PolarHBondContact O-N 3.37Å; R143-K145 PolarHBondContact O-N 2.98Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 HydrophobicContact CB-CD1 4.1Å; K145-L147 HydrophobicContact CB-CD2 4.1Å; K145-L147 HydrophobicContact CB-CG 3.78Å; K145-L147 WeakPolarHBondContact O-CD2 3.19Å; K145-L147 PolarHBondContact O-N 2.88Å
146	N	93.7	Very high	94.6	Very high	151 Å²	151	44.5 Å²	44.5	81%	0.807	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	45.6	-177	-167	30.8	0	0	0	113.7	H142 R143	H142-N146 CarbonylContact O-C 3.58Å; H142-N146 WeakPolarHBondContact O-CA 3.38Å; H142-N146 PolarHBondContact O-N 3.34Å; R143-N146 PolarHBondContact O-N 2.71Å
147	L	97	Very high	94.8	Very high	20 Å²	20	46 Å²	46	11%	0.105	21%	0.214	C	C	.	.			trans	-97.7	150.7	177.3	-46.5	-177.1	0	0	0	110.2	I120 F141 H142 K145	I120-L147 HydrophobicContact CB-CD2 3.96Å; I120-L147 HydrophobicContact CD1-CD2 4.5Å; I120-L147 HydrophobicContact CG2-CD1 4.2Å; I120-L147 HydrophobicContact CG2-CD2 4.34Å; F141-L147 HydrophobicContact CD1-CD1 4.24Å; F141-L147 HydrophobicContact CE1-CD1 4.04Å; H142-L147 HydrophobicContact CB-CB 4.03Å; H142-L147 PolarHBondContact O-N 3.25Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 HydrophobicContact CB-CD1 4.1Å; K145-L147 HydrophobicContact CB-CD2 4.1Å; K145-L147 HydrophobicContact CB-CG 3.78Å; K145-L147 WeakPolarHBondContact O-CD2 3.19Å; K145-L147 PolarHBondContact O-N 2.88Å
148	Q	97.3	Very high	95	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.29	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.3	166.2	-177.2	61	41.8	0	0	109.4	V121 L122 Y150 Y166	V121-Q148 CarbonylContact C-O 3.58Å; V121-Q148 WeakPolarHBondContact CA-O 3.46Å; V121-Q148 HydrophobicContact CG2-CB 4.38Å; L122-Q148 PolarHBondContact N-O 3.08Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.45Å; Q148-Y150 HydrophobicContact CG-CE2 3.43Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.43Å; Q148-Y166 HydrophobicContact CB-CD1 3.89Å; Q148-Y166 HydrophobicContact CB-CD2 3.94Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.64Å; Q148-Y166 HydrophobicContact CB-CG 4.05Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.43Å; Q148-Y166 HydrophobicContact CG-CD1 4.2Å; Q148-Y166 HydrophobicContact CG-CD2 3.7Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.85Å; Q148-Y166 HydrophobicContact CG-CG 3.88Å
149	Y	98	Very high	95.2	Very high	19 Å²	19	39.1 Å²	39.1	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.2	174.1	175.7	-118.3	0	0	0	110.9	F93 L122 V139 E151 L204	F93-Y149 AromaticContact CE1-CE2 3.69Å; F93-Y149 HydrophobicContact CE1-CE2 3.69Å; F93-Y149 AromaticContact CZ-CE2 3.85Å; F93-Y149 HydrophobicContact CZ-CE2 3.85Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.93Å; L122-Y149 HydrophobicContact CD2-CE2 4.45Å; L122-Y149 HydrophobicContact CG-CD2 3.86Å; L122-Y149 HydrophobicContact CG-CE2 4.38Å; L122-Y149 WeakPolarHBondContact O-CA 3.34Å; L122-Y149 VanDerWaalsContact O-CD2 3.31Å; L122-Y149 WeakPolarHBondContact O-CD2 3.35Å; V139-Y149 HydrophobicContact CG1-CD1 4.32Å; V139-Y149 HydrophobicContact CG1-CD2 4.16Å; V139-Y149 HydrophobicContact CG1-CE1 3.97Å; V139-Y149 HydrophobicContact CG1-CE2 3.81Å; V139-Y149 HydrophobicContact CG1-CG 4.41Å; Y149-E151 HydrophobicContact CE1-CG 3.89Å; Y149-E151 WeakPolarHBondContact OH-CG 3.23Å; Y149-E151 PolarHBondContact OH-OE1 2.75Å; Y149-L204 HydrophobicContact CD1-CD1 4.39Å; Y149-L204 HydrophobicContact CD1-CD2 4.24Å; Y149-L204 HydrophobicContact CE1-CD1 3.71Å; Y149-L204 HydrophobicContact CE1-CD2 3.62Å; Y149-L204 HydrophobicContact CE1-CG 4.33Å
150	Y	97.8	Very high	95.2	Very high	46 Å²	46	39.2 Å²	39.2	18%	0.18	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.3	167.6	-67.8	-60.4	0	0	0	110.9	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.77Å; V121-Y150 HydrophobicContact CG1-CE2 4.37Å; L122-Y150 PolarHBondContact O-N 2.78Å; C123-Y150 VanDerWaalsContact CA-O 3.31Å; C123-Y150 WeakPolarHBondContact CA-O 3.5Å; G124-Y150 PolarHBondContact N-O 3.03Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.45Å; Q148-Y150 HydrophobicContact CG-CE2 3.43Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.43Å; Y150-K162 HydrophobicContact CD1-CB 4.02Å; Y150-K162 HydrophobicContact CD1-CD 3.83Å; Y150-K162 HydrophobicContact CD2-CB 3.92Å; Y150-K162 HydrophobicContact CE1-CB 3.99Å; Y150-K162 HydrophobicContact CE1-CD 3.78Å; Y150-K162 HydrophobicContact CE1-CG 4.46Å; Y150-K162 HydrophobicContact CE2-CB 3.87Å; Y150-K162 WeakPolarHBondContact CE2-O 3.24Å; Y150-K162 HydrophobicContact CG-CB 4Å; Y150-P163 HydrophobicContact CD2-CG 4.16Å
151	E	97.6	Very high	95.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.9	160.5	-77.1	-169	-178.9	0	0	109.6	G124 V127 R132 Y149 N159 Q197 L204	G124-E151 WeakPolarHBondContact O-CA 3.29Å; V127-E151 HydrophobicContact CG1-CB 3.84Å; V127-E151 HydrophobicContact CG1-CG 4.1Å; R132-E151 IonicContact CZ-OE1 3.21Å; R132-E151 IonicContact CZ-OE2 3.86Å; R132-E151 IonicContact NH1-OE1 2.96Å; R132-E151 PolarHBondContact NH1-OE1 3.28Å; R132-E151 IonicContact NH1-OE2 2.86Å; R132-E151 PolarHBondContact NH1-OE2 3.02Å; R132-E151 IonicContact NH2-OE1 3.51Å; R132-E151 PolarHBondContact NH2-OE1 2.79Å; Y149-E151 HydrophobicContact CE1-CG 3.89Å; Y149-E151 WeakPolarHBondContact OH-CG 3.23Å; Y149-E151 PolarHBondContact OH-OE1 2.75Å; E151-N159 WeakPolarHBondContact O-CB 3.01Å; E151-N159 PolarHBondContact O-ND2 2.96Å; E151-Q197 PolarHBondContact OE2-NE2 2.91Å; E151-L204 HydrophobicContact CG-CD1 4.15Å; E151-L204 WeakPolarHBondContact OE1-CD1 3.49Å
152	I	97.7	Very high	95.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.			trans	-134	160.3	-176.4	67.7	168.6	0	0	0	110.7	F29 M92 C123 G124 N125 K126 V127 Y158 N159 P163	F29-I152 HydrophobicContact CD2-CD1 3.66Å; F29-I152 HydrophobicContact CE2-CD1 3.61Å; F29-I152 HydrophobicContact CG-CD1 4.41Å; F29-I152 HydrophobicContact CZ-CD1 4.32Å; M92-I152 HydrophobicContact CE-CD1 3.88Å; C123-I152 HydrophobicContact CB-CD1 3.91Å; C123-I152 HydrophobicContact CB-CG1 4.26Å; G124-I152 PolarHBondContact O-N 3.48Å; N125-I152 CarbonylContact C-O 3.56Å; N125-I152 VanDerWaalsContact CA-O 3.32Å; N125-I152 WeakPolarHBondContact CA-O 3.37Å; N125-I152 HydrophobicContact CB-CD1 4.24Å; N125-I152 HydrophobicContact CB-CG1 3.93Å; N125-I152 PolarHBondContact OD1-O 3.32Å; K126-I152 PolarHBondContact N-O 2.76Å; V127-I152 WeakPolarHBondContact CG2-O 3.29Å; V127-I152 PolarHBondContact N-O 3.39Å; I152-Y158 VanDerWaalsContact CA-O 3.32Å; I152-Y158 WeakPolarHBondContact CA-O 3.32Å; I152-N159 HydrophobicContact CG2-CB 4.06Å; I152-P163 HydrophobicContact CG2-CG 4.21Å
153	S	96.9	Very high	95.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-136.8	109.2	164.4	166.4	0	0	0	0	109	D128 K155 S156 N157 Y158	D128-S153 VanDerWaalsContact CG-OG 3.23Å; D128-S153 WeakPolarHBondContact OD1-CB 3.46Å; D128-S153 PolarHBondContact OD1-OG 2.92Å; S153-K155 PolarHBondContact O-N 2.9Å; S153-K155 VanDerWaalsContact O-N 3.11Å; S153-K155 PolarHBondContact OG-N 3.21Å; S153-S156 WeakPolarHBondContact CB-OG 3.08Å; S153-S156 PolarHBondContact O-N 3.18Å; S153-S156 PolarHBondContact OG-N 3.29Å; S153-S156 PolarHBondContact OG-OG 3.03Å; S153-N157 WeakPolarHBondContact O-CA 3.45Å; S153-N157 PolarHBondContact O-N 2.96Å; S153-Y158 PolarHBondContact N-O 2.89Å; S153-Y158 VanDerWaalsContact N-O 3.09Å; S153-Y158 PolarHBondContact O-N 3.31Å
154	A	94.5	Very high	95.6	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.6	171.5	0	0	0	0	0	112.2	T28 F29 R32 F38 N125 F160	T28-A154 HydrophobicContact CG2-CB 4.3Å; F29-A154 HydrophobicContact CB-CB 4.28Å; R32-A154 WeakPolarHBondContact CD-O 3.47Å; R32-A154 PolarHBondContact NH1-O 2.85Å; F38-A154 WeakPolarHBondContact CD2-O 3.29Å; N125-A154 PolarHBondContact OD1-N 2.83Å; A154-F160 HydrophobicContact CB-CE2 4.41Å
155	K	93.3	Very high	95.9	Very high	66 Å²	66	36.7 Å²	36.7	29%	0.287	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-37.2	-179.1	-161.9	179.8	-171.9	-167	0	113.7	R32 F38 D128 S153 E189 V190	R32-K155 PolarHBondContact NH1-O 3.07Å; F38-K155 HydrophobicContact CD1-CG 4.41Å; F38-K155 HydrophobicContact CD2-CB 4.26Å; F38-K155 HydrophobicContact CD2-CG 4.24Å; F38-K155 HydrophobicContact CE1-CD 4.31Å; F38-K155 HydrophobicContact CE1-CG 3.97Å; F38-K155 HydrophobicContact CE2-CB 3.64Å; F38-K155 HydrophobicContact CE2-CG 3.76Å; F38-K155 HydrophobicContact CZ-CB 3.91Å; F38-K155 HydrophobicContact CZ-CD 4.05Å; F38-K155 HydrophobicContact CZ-CG 3.62Å; D128-K155 VanDerWaalsContact OD2-CD 3.31Å; D128-K155 WeakPolarHBondContact OD2-CD 3.25Å; S153-K155 PolarHBondContact O-N 2.9Å; S153-K155 VanDerWaalsContact O-N 3.11Å; S153-K155 PolarHBondContact OG-N 3.21Å; K155-E189 HydrophobicContact CG-CB 3.93Å; K155-E189 PolarHBondContact O-N 2.96Å; K155-V190 HydrophobicContact CB-CG2 4.16Å; K155-V190 HydrophobicContact CD-CB 4.44Å; K155-V190 HydrophobicContact CD-CG1 3.8Å; K155-V190 HydrophobicContact CD-CG2 3.76Å; K155-V190 VanDerWaalsContact CE-CG1 3.5Å; K155-V190 HydrophobicContact CG-CG1 4.42Å; K155-V190 HydrophobicContact CG-CG2 3.8Å; K155-V190 VanDerWaalsContact NZ-CG1 3.34Å
156	S	93	Very high	96.1	Very high	16 Å²	16	33.6 Å²	33.6	11%	0.112	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1.1	-179.7	63.4	0	0	0	0	114.4	S153 Y158 V190	S153-S156 WeakPolarHBondContact CB-OG 3.08Å; S153-S156 PolarHBondContact O-N 3.18Å; S153-S156 PolarHBondContact OG-N 3.29Å; S153-S156 PolarHBondContact OG-OG 3.03Å; S156-Y158 PolarHBondContact O-N 2.66Å; S156-V190 WeakPolarHBondContact CB-O 3.31Å
157	N	92.8	Very high	96.3	Very high	37 Å²	37	26.4 Å²	26.4	20%	0.198	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	16.2	-172.4	-54.7	-28.6	0	0	0	114	R32 S153 N159 F160 L185 A186	R32-N157 PolarHBondContact NE-OD1 2.88Å; R32-N157 PolarHBondContact NH1-OD1 3.26Å; R32-N157 PolarHBondContact NH2-OD1 3.49Å; S153-N157 WeakPolarHBondContact O-CA 3.45Å; S153-N157 PolarHBondContact O-N 2.96Å; N157-N159 PolarHBondContact O-N 2.87Å; N157-F160 WeakPolarHBondContact O-CB 3.42Å; N157-F160 PolarHBondContact O-N 3.27Å; N157-L185 HydrophobicContact CB-CD1 4.04Å; N157-A186 PolarHBondContact ND2-O 3.36Å
158	Y	95.1	Very high	96.4	Very high	41 Å²	41	25.5 Å²	25.5	16%	0.161	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-64.7	125.9	-179.9	-169.9	-111.4	0	0	0	111.7	V127 I152 S153 S156 F160 L192 Q197 E201	V127-Y158 HydrophobicContact CG2-CD1 3.84Å; V127-Y158 HydrophobicContact CG2-CG 4.49Å; I152-Y158 VanDerWaalsContact CA-O 3.32Å; I152-Y158 WeakPolarHBondContact CA-O 3.32Å; S153-Y158 PolarHBondContact N-O 2.89Å; S153-Y158 VanDerWaalsContact N-O 3.09Å; S153-Y158 PolarHBondContact O-N 3.31Å; S156-Y158 PolarHBondContact O-N 2.66Å; Y158-F160 PolarHBondContact O-N 3.46Å; Y158-L192 HydrophobicContact CD1-CD2 4.02Å; Y158-L192 HydrophobicContact CD2-CD2 3.22Å; Y158-L192 HydrophobicContact CE1-CD2 4.4Å; Y158-L192 HydrophobicContact CE2-CD2 3.67Å; Y158-L192 HydrophobicContact CG-CD2 3.4Å; Y158-L192 VanDerWaalsContact CG-CD2 3.4Å; Y158-Q197 HydrophobicContact CD1-CG 4.43Å; Y158-Q197 HydrophobicContact CE1-CG 3.62Å; Y158-Q197 HydrophobicContact CE2-CG 4.15Å; Y158-Q197 VanDerWaalsContact CZ-CG 3.45Å; Y158-Q197 WeakPolarHBondContact OH-CG 3.25Å; Y158-E201 VanDerWaalsContact OH-CD 3.24Å; Y158-E201 PolarHBondContact OH-OE1 2.93Å
159	N	95.1	Very high	96.4	Very high	23 Å²	23	26.8 Å²	26.8	12%	0.123	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	23.8	179.5	-71.3	-21	0	0	0	114.5	E151 I152 N157 E161 K162 P163	E151-N159 WeakPolarHBondContact O-CB 3.01Å; E151-N159 PolarHBondContact O-ND2 2.96Å; I152-N159 HydrophobicContact CG2-CB 4.06Å; N157-N159 PolarHBondContact O-N 2.87Å; N159-E161 VanDerWaalsContact C-N 3.31Å; N159-E161 PolarHBondContact O-N 3.44Å; N159-K162 HydrophobicContact CB-CB 4.47Å; N159-K162 HydrophobicContact CB-CD 3.86Å; N159-K162 HydrophobicContact CB-CG 4.18Å; N159-K162 WeakPolarHBondContact O-CB 3.49Å; N159-K162 PolarHBondContact O-N 2.87Å; N159-K162 VanDerWaalsContact O-N 3.1Å; N159-K162 WeakPolarHBondContact OD1-CD 3.15Å; N159-K162 WeakPolarHBondContact OD1-CE 3.34Å; N159-K162 PolarHBondContact OD1-NZ 3.22Å; N159-P163 WeakPolarHBondContact O-CD 3.34Å
160	F	93.2	Very high	96.4	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40.1	-165.3	-165.8	-118.6	0	0	0	113.3	F29 R32 H33 A154 N157 Y158 L185	F29-F160 AromaticContact CD2-CD2 3.65Å; F29-F160 HydrophobicContact CD2-CD2 3.65Å; F29-F160 AromaticContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CE2 3.37Å; F29-F160 HydrophobicContact CD2-CZ 4.32Å; F29-F160 AromaticContact CE2-CD2 3.58Å; F29-F160 HydrophobicContact CE2-CD2 3.58Å; F29-F160 AromaticContact CE2-CE2 3.73Å; F29-F160 HydrophobicContact CE2-CE2 3.73Å; F29-F160 HydrophobicContact CE2-CG 4.33Å; F29-F160 WeakPolarHBondContact CE2-O 3.39Å; F29-F160 HydrophobicContact CG-CE2 4.22Å; F29-F160 WeakPolarHBondContact CZ-O 3.4Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; R32-F160 HydrophobicContact CB-CE2 4.33Å; R32-F160 HydrophobicContact CB-CZ 3.65Å; R32-F160 HydrophobicContact CG-CE1 4.23Å; R32-F160 HydrophobicContact CG-CE2 4.41Å; R32-F160 HydrophobicContact CG-CZ 3.71Å; H33-F160 HydrophobicContact CB-CE1 4.24Å; H33-F160 HydrophobicContact CB-CZ 4.46Å; H33-F160 AromaticContact CD2-CD1 3.83Å; H33-F160 AromaticContact CD2-CE1 3.5Å; H33-F160 AromaticContact CE1-CD1 3.16Å; H33-F160 WeakPolarHBondContact CE1-CD1 3.44Å; H33-F160 AromaticContact CE1-CD2 3.7Å; H33-F160 AromaticContact CE1-CE1 2.97Å; H33-F160 WeakPolarHBondContact CE1-CE1 3.34Å; H33-F160 AromaticContact CE1-CE2 3.51Å; H33-F160 AromaticContact CE1-CG 3.52Å; H33-F160 AromaticContact CE1-CZ 3.14Å; H33-F160 WeakPolarHBondContact CE1-CZ 3.39Å; H33-F160 PolarHBondContact CE1-O 3.44Å; H33-F160 AromaticContact CG-CE1 3.37Å; H33-F160 AromaticContact CG-CZ 3.69Å; H33-F160 AromaticContact ND1-CD1 3.78Å; H33-F160 AromaticContact ND1-CE1 3.07Å; H33-F160 WeakPolarHBondContact ND1-CE1 3.25Å; H33-F160 AromaticContact ND1-CE2 3.67Å; H33-F160 AromaticContact ND1-CZ 2.98Å; H33-F160 WeakPolarHBondContact ND1-CZ 3.33Å; H33-F160 AromaticContact NE2-CD1 3.21Å; H33-F160 WeakPolarHBondContact NE2-CD1 3.44Å; H33-F160 AromaticContact NE2-CE1 3.28Å; H33-F160 VanDerWaalsContact NE2-CE1 3.28Å; H33-F160 WeakPolarHBondContact NE2-CE1 3.48Å; H33-F160 AromaticContact NE2-CG 3.85Å; H33-F160 AromaticContact NE2-CZ 3.94Å; H33-F160 PolarHBondContact NE2-O 3.36Å; A154-F160 HydrophobicContact CB-CE2 4.41Å; N157-F160 WeakPolarHBondContact O-CB 3.42Å; N157-F160 PolarHBondContact O-N 3.27Å; Y158-F160 PolarHBondContact O-N 3.46Å; F160-L185 HydrophobicContact CD1-CD1 3.58Å; F160-L185 HydrophobicContact CD1-CD2 4.07Å; F160-L185 HydrophobicContact CD1-CG 4.48Å; F160-L185 HydrophobicContact CE1-CD1 3.95Å; F160-L185 HydrophobicContact CE1-CD2 3.57Å; F160-L185 HydrophobicContact CE1-CG 4.43Å; F160-L185 HydrophobicContact CG-CD1 4.42Å
161	E	95.3	Very high	96.4	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.243	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.8	-178.7	-62.1	-178.5	89.1	0	0	114.1	N159 F164 L165 F179 P183	N159-E161 VanDerWaalsContact C-N 3.31Å; N159-E161 PolarHBondContact O-N 3.44Å; E161-F164 PolarHBondContact O-N 3.18Å; E161-F164 VanDerWaalsContact O-N 3.13Å; E161-L165 PolarHBondContact O-N 3.27Å; E161-F179 HydrophobicContact CB-CD2 4.19Å; E161-F179 HydrophobicContact CB-CE2 4.08Å; E161-F179 WeakPolarHBondContact OE1-CD2 3.35Å; E161-P183 HydrophobicContact CG-CG 3.99Å; E161-P183 WeakPolarHBondContact OE1-CD 3.49Å
162	K	97.1	Very high	96.3	Very high	84 Å²	84	33.8 Å²	33.8	37%	0.365	16%	0.163	S	C	.	.	H	α-helix	trans	-57.5	-42.7	-172.7	-70.1	-169.4	177.5	166.5	0	113.3	Y150 N159 F164 L165 Y166	Y150-K162 HydrophobicContact CD1-CB 4.02Å; Y150-K162 HydrophobicContact CD1-CD 3.83Å; Y150-K162 HydrophobicContact CD2-CB 3.92Å; Y150-K162 HydrophobicContact CE1-CB 3.99Å; Y150-K162 HydrophobicContact CE1-CD 3.78Å; Y150-K162 HydrophobicContact CE1-CG 4.46Å; Y150-K162 HydrophobicContact CE2-CB 3.87Å; Y150-K162 WeakPolarHBondContact CE2-O 3.24Å; Y150-K162 HydrophobicContact CG-CB 4Å; N159-K162 HydrophobicContact CB-CB 4.47Å; N159-K162 HydrophobicContact CB-CD 3.86Å; N159-K162 HydrophobicContact CB-CG 4.18Å; N159-K162 WeakPolarHBondContact O-CB 3.49Å; N159-K162 PolarHBondContact O-N 2.87Å; N159-K162 VanDerWaalsContact O-N 3.1Å; N159-K162 WeakPolarHBondContact OD1-CD 3.15Å; N159-K162 WeakPolarHBondContact OD1-CE 3.34Å; N159-K162 PolarHBondContact OD1-NZ 3.22Å; K162-F164 PolarHBondContact O-N 2.99Å; K162-L165 PolarHBondContact O-N 3.03Å; K162-Y166 PolarHBondContact O-N 2.88Å
163	P	98.4	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-46.9	175.6	-25.8	36.1	0	0	0	112.6	F29 I90 V121 C123 Y150 I152 N159 Y166 L167	F29-P163 HydrophobicContact CZ-CG 4.2Å; I90-P163 HydrophobicContact CD1-CB 3.83Å; I90-P163 HydrophobicContact CG1-CB 4.44Å; V121-P163 HydrophobicContact CB-CB 4.48Å; V121-P163 HydrophobicContact CG1-CB 4.05Å; V121-P163 HydrophobicContact CG1-CG 4.44Å; C123-P163 VanDerWaalsContact SG-CG 3.54Å; Y150-P163 HydrophobicContact CD2-CG 4.16Å; I152-P163 HydrophobicContact CG2-CG 4.21Å; N159-P163 WeakPolarHBondContact O-CD 3.34Å; P163-Y166 PolarHBondContact O-N 3.4Å; P163-L167 VanDerWaalsContact O-CG 3.29Å; P163-L167 WeakPolarHBondContact O-CG 3.32Å; P163-L167 PolarHBondContact O-N 3.4Å; P163-L167 VanDerWaalsContact O-N 3.08Å
164	F	98.2	Very high	96.3	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-42.1	-179.5	-69.5	-78.6	0	0	0	112.1	L16 F29 H33 L53 F55 F64 I90 E161 K162 Y166 L167 A168 F179	L16-F164 HydrophobicContact CD1-CD1 4.05Å; L16-F164 HydrophobicContact CD1-CE1 3.73Å; F29-F164 HydrophobicContact CD1-CE2 4.41Å; F29-F164 HydrophobicContact CE1-CD2 4.35Å; F29-F164 AromaticContact CE1-CE2 3.37Å; F29-F164 HydrophobicContact CE1-CE2 3.37Å; F29-F164 AromaticContact CE1-CZ 3.82Å; F29-F164 HydrophobicContact CE1-CZ 3.82Å; F29-F164 HydrophobicContact CZ-CD2 4.14Å; F29-F164 AromaticContact CZ-CE2 3.51Å; F29-F164 HydrophobicContact CZ-CE2 3.51Å; F29-F164 HydrophobicContact CZ-CZ 4.41Å; H33-F164 AromaticContact CD2-CE2 3.83Å; H33-F164 AromaticContact CE1-CD2 3.79Å; H33-F164 AromaticContact CE1-CE2 3.3Å; H33-F164 WeakPolarHBondContact CE1-CE2 3.41Å; H33-F164 AromaticContact CG-CE2 3.95Å; H33-F164 AromaticContact ND1-CE2 3.6Å; H33-F164 AromaticContact NE2-CD2 3.48Å; H33-F164 WeakPolarHBondContact NE2-CD2 3.22Å; H33-F164 AromaticContact NE2-CE2 3.42Å; H33-F164 WeakPolarHBondContact NE2-CE2 3.37Å; L53-F164 HydrophobicContact CD1-CE1 3.91Å; L53-F164 HydrophobicContact CD1-CZ 3.65Å; F55-F164 HydrophobicContact CE1-CB 3.93Å; F55-F164 HydrophobicContact CE1-CD2 4.29Å; F55-F164 HydrophobicContact CE1-CG 4.05Å; F55-F164 HydrophobicContact CE2-CB 4.18Å; F55-F164 AromaticContact CE2-CD1 3.64Å; F55-F164 HydrophobicContact CE2-CD1 3.64Å; F55-F164 HydrophobicContact CE2-CE1 4.1Å; F55-F164 AromaticContact CE2-CG 3.89Å; F55-F164 HydrophobicContact CE2-CG 3.89Å; F55-F164 HydrophobicContact CZ-CB 3.71Å; F55-F164 AromaticContact CZ-CD1 3.61Å; F55-F164 HydrophobicContact CZ-CD1 3.61Å; F55-F164 AromaticContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CD2 3.7Å; F55-F164 HydrophobicContact CZ-CE1 4.08Å; F55-F164 HydrophobicContact CZ-CE2 4.19Å; F55-F164 AromaticContact CZ-CG 3.38Å; F55-F164 HydrophobicContact CZ-CG 3.38Å; F55-F164 HydrophobicContact CZ-CZ 4.36Å; F64-F164 HydrophobicContact CB-CE1 4.47Å; F64-F164 AromaticContact CD2-CD1 3.66Å; F64-F164 HydrophobicContact CD2-CD1 3.66Å; F64-F164 HydrophobicContact CD2-CE1 4.27Å; F64-F164 HydrophobicContact CE2-CB 4.36Å; F64-F164 AromaticContact CE2-CD1 3.94Å; F64-F164 HydrophobicContact CE2-CD1 3.94Å; F64-F164 HydrophobicContact CG-CD1 4.19Å; F64-F164 HydrophobicContact CG-CE1 4.44Å; I90-F164 HydrophobicContact CD1-CZ 4.47Å; E161-F164 PolarHBondContact O-N 3.18Å; E161-F164 VanDerWaalsContact O-N 3.13Å; K162-F164 PolarHBondContact O-N 2.99Å; F164-Y166 PolarHBondContact O-N 3.41Å; F164-L167 PolarHBondContact O-N 3.04Å; F164-A168 VanDerWaalsContact O-CB 3.29Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 3.13Å; F164-F179 HydrophobicContact CB-CE2 4.23Å; F164-F179 HydrophobicContact CB-CZ 4.01Å
165	L	98	Very high	96.3	Very high	33 Å²	33	47.2 Å²	47.2	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-43.4	178.3	-179.9	58.3	0	0	0	111.9	E161 K162 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 3.27Å; K162-L165 PolarHBondContact O-N 3.03Å; L165-A168 PolarHBondContact O-N 3.25Å; L165-R169 HydrophobicContact CD1-CG 4.43Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.31Å; L165-R169 PolarHBondContact O-N 3.12Å; L165-L177 HydrophobicContact CD1-CD2 3.76Å; L165-F179 HydrophobicContact CB-CD2 4.35Å; L165-F179 HydrophobicContact CB-CE2 3.76Å; L165-F179 HydrophobicContact CB-CZ 3.96Å; L165-F179 HydrophobicContact CD1-CD1 4.31Å; L165-F179 HydrophobicContact CD1-CE1 4.21Å; L165-F179 HydrophobicContact CD1-CE2 4.44Å; L165-F179 HydrophobicContact CD1-CG 4.45Å; L165-F179 HydrophobicContact CD1-CZ 4.28Å
166	Y	98.5	Very high	96.5	Very high	43 Å²	43	50.1 Å²	50.1	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-46.9	175.4	173.4	-91.8	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 3.97Å; V121-Y166 HydrophobicContact CG2-CG 4.27Å; Q148-Y166 HydrophobicContact CB-CD1 3.89Å; Q148-Y166 HydrophobicContact CB-CD2 3.94Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.64Å; Q148-Y166 HydrophobicContact CB-CG 4.05Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.43Å; Q148-Y166 HydrophobicContact CG-CD1 4.2Å; Q148-Y166 HydrophobicContact CG-CD2 3.7Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.85Å; Q148-Y166 HydrophobicContact CG-CG 3.88Å; K162-Y166 PolarHBondContact O-N 2.88Å; P163-Y166 PolarHBondContact O-N 3.4Å; F164-Y166 PolarHBondContact O-N 3.41Å; Y166-R169 PolarHBondContact O-N 3.47Å; Y166-K170 HydrophobicContact CD1-CG 4.31Å; Y166-K170 HydrophobicContact CE1-CG 3.86Å; Y166-K170 HydrophobicContact CE2-CG 4.21Å; Y166-K170 WeakPolarHBondContact O-CG 3.43Å; Y166-K170 PolarHBondContact O-N 2.71Å; Y166-K170 WeakPolarHBondContact OH-CE 3.24Å
167	L	98.6	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-43.6	178.8	-69.6	177.9	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 4.36Å; F64-L167 HydrophobicContact CE1-CB 4.27Å; F64-L167 HydrophobicContact CZ-CB 4.07Å; C88-L167 HydrophobicContact CB-CD1 4.17Å; C88-L167 HydrophobicContact CB-CD2 3.8Å; C88-L167 HydrophobicContact CB-CG 4.4Å; I90-L167 HydrophobicContact CD1-CD1 4.36Å; I90-L167 HydrophobicContact CG1-CD1 3.96Å; P119-L167 HydrophobicContact CB-CD2 3.77Å; P119-L167 WeakPolarHBondContact O-CD2 3.41Å; V121-L167 HydrophobicContact CG2-CD1 4.31Å; V121-L167 HydrophobicContact CG2-CD2 3.78Å; V121-L167 HydrophobicContact CG2-CG 3.79Å; P163-L167 VanDerWaalsContact O-CG 3.29Å; P163-L167 WeakPolarHBondContact O-CG 3.32Å; P163-L167 PolarHBondContact O-N 3.4Å; P163-L167 VanDerWaalsContact O-N 3.08Å; F164-L167 PolarHBondContact O-N 3.04Å; L167-R169 PolarHBondContact O-N 3.44Å; L167-K170 PolarHBondContact O-N 2.87Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 WeakPolarHBondContact O-CD1 3.39Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.3Å
168	A	98.1	Very high	96.9	Very high	1 Å²	1	52 Å²	52	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-47.6	176.3	0	0	0	0	0	111.8	I62 F64 F164 L165 K170 L171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.38Å; F64-A168 HydrophobicContact CE2-CB 4.49Å; F64-A168 HydrophobicContact CZ-CB 4.27Å; F164-A168 VanDerWaalsContact O-CB 3.29Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 3.13Å; L165-A168 PolarHBondContact O-N 3.25Å; A168-K170 PolarHBondContact O-N 3.35Å; A168-L171 PolarHBondContact O-N 2.83Å; A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 2.8Å; A168-L177 HydrophobicContact CB-CD1 4.42Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; A168-F179 HydrophobicContact CB-CE1 4.46Å
169	R	98.3	Very high	97	Very high	88 Å²	88	51.5 Å²	51.5	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-44.4	175.9	-72.8	171.7	172.4	170.9	-2.8	112.3	L165 Y166 L167 G173 D174 Q175 L177	L165-R169 HydrophobicContact CD1-CG 4.43Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.31Å; L165-R169 PolarHBondContact O-N 3.12Å; Y166-R169 PolarHBondContact O-N 3.47Å; L167-R169 PolarHBondContact O-N 3.44Å; R169-G173 PolarHBondContact O-N 3.07Å; R169-D174 WeakPolarHBondContact CA-O 3.13Å; R169-D174 WeakPolarHBondContact CB-O 3.45Å; R169-D174 WeakPolarHBondContact CG-O 3.42Å; R169-D174 PolarHBondContact O-N 3.32Å; R169-Q175 PolarHBondContact NE-O 2.94Å; R169-L177 HydrophobicContact CG-CB 4.02Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.28Å; R169-L177 PolarHBondContact NE-O 2.67Å; R169-L177 PolarHBondContact NH2-O 3.34Å
170	K	97.9	Very high	97.1	Very high	116 Å²	116	54.2 Å²	54.2	50%	0.504	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-41.6	179.3	-74.1	-67.4	-174.5	178	0	112.5	P119 Y166 L167 A168	P119-K170 HydrophobicContact CB-CB 3.88Å; P119-K170 HydrophobicContact CB-CG 4.3Å; P119-K170 HydrophobicContact CG-CB 3.76Å; Y166-K170 HydrophobicContact CD1-CG 4.31Å; Y166-K170 HydrophobicContact CE1-CG 3.86Å; Y166-K170 HydrophobicContact CE2-CG 4.21Å; Y166-K170 WeakPolarHBondContact O-CG 3.43Å; Y166-K170 PolarHBondContact O-N 2.71Å; Y166-K170 WeakPolarHBondContact OH-CE 3.24Å; L167-K170 PolarHBondContact O-N 2.87Å; A168-K170 PolarHBondContact O-N 3.35Å
171	L	97.2	Very high	97	Very high	43 Å²	43	59.3 Å²	59.3	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-36.1	-179	-70.4	164.2	0	0	0	112.7	F14 F64 Q87 C88 P119 L167 A168 G173	F14-L171 HydrophobicContact CB-CD1 3.99Å; F14-L171 HydrophobicContact CD1-CB 4.16Å; F14-L171 HydrophobicContact CD1-CD1 3.87Å; F14-L171 HydrophobicContact CD1-CD2 3.97Å; F14-L171 HydrophobicContact CD1-CG 4.23Å; F14-L171 HydrophobicContact CD2-CD1 4.04Å; F14-L171 HydrophobicContact CE1-CB 3.82Å; F14-L171 HydrophobicContact CE1-CD1 4.36Å; F14-L171 HydrophobicContact CE1-CD2 4.24Å; F14-L171 HydrophobicContact CE1-CG 4.37Å; F14-L171 HydrophobicContact CE2-CB 4.32Å; F14-L171 HydrophobicContact CG-CD1 3.69Å; F14-L171 HydrophobicContact CZ-CB 3.9Å; F64-L171 HydrophobicContact CE1-CD1 3.63Å; F64-L171 HydrophobicContact CZ-CD1 4.19Å; Q87-L171 HydrophobicContact CB-CD2 4.35Å; C88-L171 HydrophobicContact CB-CD1 4.03Å; P119-L171 HydrophobicContact CG-CD2 4.45Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 WeakPolarHBondContact O-CD1 3.39Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.3Å; A168-L171 PolarHBondContact O-N 2.83Å; L171-G173 VanDerWaalsContact C-N 3.34Å
172	A	95.7	Very high	96.3	Very high	58 Å²	58	61.5 Å²	61.5	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-79.3	-17.4	175.8	0	0	0	0	0	113.1	A168 D174 L177	A168-A172 WeakPolarHBondContact O-CB 3.43Å; A168-A172 PolarHBondContact O-N 2.8Å; A172-D174 HydrophobicContact CB-CB 4.48Å; A172-D174 PolarHBondContact O-N 2.79Å; A172-L177 HydrophobicContact CB-CD1 3.82Å
173	G	96.5	Very high	95.4	Very high	71 Å²	71	59 Å²	59	73%	0.732	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	17.5	-173	0	0	0	0	0	113.8	R169 L171	R169-G173 PolarHBondContact O-N 3.07Å; L171-G173 VanDerWaalsContact C-N 3.34Å
174	D	96.9	Very high	94.8	Very high	46 Å²	46	63.8 Å²	63.8	25%	0.246	36%	0.363	C	S	.	.			trans	-121.9	113.6	-176.3	-179.1	9.2	0	0	0	110.9	R169 A172 N176 L177	R169-D174 WeakPolarHBondContact CA-O 3.13Å; R169-D174 WeakPolarHBondContact CB-O 3.45Å; R169-D174 WeakPolarHBondContact CG-O 3.42Å; R169-D174 PolarHBondContact O-N 3.32Å; A172-D174 HydrophobicContact CB-CB 4.48Å; A172-D174 PolarHBondContact O-N 2.79Å; D174-N176 VanDerWaalsContact C-N 3.3Å; D174-N176 WeakPolarHBondContact OD1-CB 3.39Å; D174-N176 PolarHBondContact OD1-N 3.42Å; D174-L177 HydrophobicContact CB-CB 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.38Å
175	Q	95.6	Very high	94	Very high	167 Å²	167	66 Å²	66	78%	0.78	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-20	178.3	-62.5	-173.6	13.6	0	0	113.1	R169 L177	R169-Q175 PolarHBondContact NE-O 2.94Å; Q175-L177 VanDerWaalsContact C-N 3.32Å
176	N	97.2	Very high	93.1	Very high	127 Å²	127	66.2 Å²	66.2	68%	0.679	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.3	-179.9	-59.2	-51.3	0	0	0	112.8	D174 H178	D174-N176 VanDerWaalsContact C-N 3.3Å; D174-N176 WeakPolarHBondContact OD1-CB 3.39Å; D174-N176 PolarHBondContact OD1-N 3.42Å; N176-H178 PolarHBondContact O-N 3.36Å; N176-H178 PolarHBondContact O-ND1 2.76Å; N176-H178 VanDerWaalsContact O-ND1 3.08Å
177	L	97.8	Very high	92.4	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.021	41%	0.407	C	S	.	.			trans	-54.6	130.8	173.9	-174.3	156.5	0	0	0	109.8	T57 N58 L165 A168 R169 A172 D174 Q175	T57-L177 HydrophobicContact CG2-CD1 4.24Å; T57-L177 HydrophobicContact CG2-CD2 3.86Å; T57-L177 HydrophobicContact CG2-CG 4.14Å; N58-L177 VanDerWaalsContact OD1-CA 3.29Å; N58-L177 WeakPolarHBondContact OD1-CA 3.35Å; L165-L177 HydrophobicContact CD1-CD2 3.76Å; A168-L177 HydrophobicContact CB-CD1 4.42Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; R169-L177 HydrophobicContact CG-CB 4.02Å; R169-L177 HydrophobicContact CG-CD2 4.39Å; R169-L177 VanDerWaalsContact CZ-O 3.28Å; R169-L177 PolarHBondContact NE-O 2.67Å; R169-L177 PolarHBondContact NH2-O 3.34Å; A172-L177 HydrophobicContact CB-CD1 3.82Å; D174-L177 HydrophobicContact CB-CB 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.38Å; Q175-L177 VanDerWaalsContact C-N 3.32Å
178	H	97.1	Very high	91.6	Very high	90 Å²	90	72.6 Å²	72.6	42%	0.417	43%	0.428	S	S	.	.			trans	-143.7	153.5	174.1	59.5	-82.5	0	0	0	110.4	T57 N58 N176	T57-H178 CarbonylContact C-O 3.55Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.27Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.19Å; N58-H178 VanDerWaalsContact CG-CE1 3.47Å; N58-H178 PolarHBondContact N-O 2.86Å; N58-H178 VanDerWaalsContact N-O 3.07Å; N58-H178 PolarHBondContact OD1-N 3.3Å; N58-H178 PolarHBondContact OD1-O 2.89Å; N176-H178 PolarHBondContact O-N 3.36Å; N176-H178 PolarHBondContact O-ND1 2.76Å; N176-H178 VanDerWaalsContact O-ND1 3.08Å
179	F	96.8	Very high	90.8	Very high	29 Å²	29	76.8 Å²	76.8	13%	0.127	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-73.3	134.8	172.9	-59	-32	0	0	0	109.8	F55 F56 T57 I62 E161 F164 L165 A168	F55-F179 HydrophobicContact CB-CD1 3.98Å; F55-F179 HydrophobicContact CB-CE1 3.6Å; F55-F179 HydrophobicContact CB-CZ 4.04Å; F55-F179 HydrophobicContact CD1-CD1 4.35Å; F55-F179 HydrophobicContact CD1-CD2 4.07Å; F55-F179 AromaticContact CD1-CE1 3.89Å; F55-F179 HydrophobicContact CD1-CE1 3.89Å; F55-F179 AromaticContact CD1-CE2 3.55Å; F55-F179 HydrophobicContact CD1-CE2 3.55Å; F55-F179 HydrophobicContact CD1-CG 4.45Å; F55-F179 AromaticContact CD1-CZ 3.46Å; F55-F179 HydrophobicContact CD1-CZ 3.46Å; F55-F179 VanDerWaalsContact CD1-CZ 3.46Å; F55-F179 AromaticContact CE1-CE2 3.94Å; F55-F179 HydrophobicContact CE1-CE2 3.94Å; F55-F179 HydrophobicContact CE1-CZ 4.07Å; F55-F179 AromaticContact CG-CE1 3.94Å; F55-F179 HydrophobicContact CG-CE1 3.94Å; F55-F179 HydrophobicContact CG-CE2 4.38Å; F55-F179 AromaticContact CG-CZ 3.83Å; F55-F179 HydrophobicContact CG-CZ 3.83Å; F56-F179 CarbonylContact O-C 3.54Å; F56-F179 VanDerWaalsContact O-CA 3.27Å; F56-F179 WeakPolarHBondContact O-CA 3.12Å; T57-F179 HydrophobicContact CG2-CD1 4.03Å; T57-F179 HydrophobicContact CG2-CE1 4.18Å; I62-F179 HydrophobicContact CD1-CE1 4.36Å; E161-F179 HydrophobicContact CB-CD2 4.19Å; E161-F179 HydrophobicContact CB-CE2 4.08Å; E161-F179 WeakPolarHBondContact OE1-CD2 3.35Å; F164-F179 HydrophobicContact CB-CE2 4.23Å; F164-F179 HydrophobicContact CB-CZ 4.01Å; L165-F179 HydrophobicContact CB-CD2 4.35Å; L165-F179 HydrophobicContact CB-CE2 3.76Å; L165-F179 HydrophobicContact CB-CZ 3.96Å; L165-F179 HydrophobicContact CD1-CD1 4.31Å; L165-F179 HydrophobicContact CD1-CE1 4.21Å; L165-F179 HydrophobicContact CD1-CE2 4.44Å; L165-F179 HydrophobicContact CD1-CG 4.45Å; L165-F179 HydrophobicContact CD1-CZ 4.28Å; A168-F179 HydrophobicContact CB-CE1 4.46Å
180	V	96.5	Very high	90.2	Very high	81 Å²	81	74.5 Å²	74.5	49%	0.491	44%	0.443	S	S	.	.	S	Bend	trans	-98.9	-11.7	179.7	-65.7	0	0	0	0	112.4	F56 N58	F56-V180 HydrophobicContact CB-CG2 3.83Å; F56-V180 WeakPolarHBondContact O-CG2 3.29Å; F56-V180 PolarHBondContact O-N 2.83Å; N58-V180 HydrophobicContact CB-CG1 4.01Å
181	E	90.7	Very high	89.7	Confident	112 Å²	112	77.2 Å²	77.2	52%	0.523	46%	0.457	S	S	.	.	S	Bend	trans	-133.9	137.6	175.3	-67.1	175.9	-164.9	0	0	108.4	F56	F56-E181 HydrophobicContact CB-CB 4.36Å; F56-E181 HydrophobicContact CB-CG 4.37Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.42Å
182	S	82.3	Confident	89.3	Confident	98 Å²	98	75.7 Å²	75.7	69%	0.685	45%	0.449	S	S	*	.			trans	-81	145.7	168.7	-64.5	0	0	0	0	109.9
183	P	77.8	Confident	89	Confident	32 Å²	32	77.1 Å²	77.1	21%	0.208	45%	0.449	C	S	.	.			trans	-59.2	145.3	173.2	23.4	-32	0	0	0	110.4	E161 L185	E161-P183 HydrophobicContact CG-CG 3.99Å; E161-P183 WeakPolarHBondContact OE1-CD 3.49Å; P183-L185 HydrophobicContact CB-CD2 3.92Å; P183-L185 HydrophobicContact CB-CG 4.13Å; P183-L185 HydrophobicContact CG-CD1 4.09Å; P183-L185 HydrophobicContact CG-CD2 4.02Å; P183-L185 HydrophobicContact CG-CG 3.92Å; P183-L185 PolarHBondContact O-N 2.94Å
184	A	84.5	Confident	88.7	Confident	99 Å²	99	77.6 Å²	77.6	82%	0.818	43%	0.434	S	S	*	.			trans	-72.7	76.2	176.9	0	0	0	0	0	110.7	G36	G36-A184 WeakPolarHBondContact CA-O 3.28Å
185	L	81.7	Confident	88.5	Confident	48 Å²	48	78.5 Å²	78.5	25%	0.251	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-86.2	137.5	-178.5	-54.7	179.9	0	0	0	111.3	R32 N157 F160 P183	R32-L185 HydrophobicContact CG-CD2 4.31Å; R32-L185 VanDerWaalsContact O-CD2 3.27Å; R32-L185 WeakPolarHBondContact O-CD2 3.18Å; N157-L185 HydrophobicContact CB-CD1 4.04Å; F160-L185 HydrophobicContact CD1-CD1 3.58Å; F160-L185 HydrophobicContact CD1-CD2 4.07Å; F160-L185 HydrophobicContact CD1-CG 4.48Å; F160-L185 HydrophobicContact CE1-CD1 3.95Å; F160-L185 HydrophobicContact CE1-CD2 3.57Å; F160-L185 HydrophobicContact CE1-CG 4.43Å; F160-L185 HydrophobicContact CG-CD1 4.42Å; P183-L185 HydrophobicContact CB-CD2 3.92Å; P183-L185 HydrophobicContact CB-CG 4.13Å; P183-L185 HydrophobicContact CG-CD1 4.09Å; P183-L185 HydrophobicContact CG-CD2 4.02Å; P183-L185 HydrophobicContact CG-CG 3.92Å; P183-L185 PolarHBondContact O-N 2.94Å
186	A	80.3	Confident	88.2	Confident	38 Å²	38	72.7 Å²	72.7	31%	0.314	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.6	150.5	164.9	0	0	0	0	0	109.6	R32 G36 N157	R32-A186 PolarHBondContact NH2-O 2.82Å; G36-A186 WeakPolarHBondContact O-CB 3.29Å; G36-A186 PolarHBondContact O-N 2.91Å; N157-A186 PolarHBondContact ND2-O 3.36Å
187	P	82.7	Confident	87.9	Confident	109 Å²	109	66.8 Å²	66.8	71%	0.708	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-49.3	148.6	176.2	-27.7	35	0	0	0	112.4	R32 E189	R32-P187 PolarHBondContact NH2-O 2.91Å; R32-P187 VanDerWaalsContact NH2-O 3.09Å; P187-E189 PolarHBondContact O-N 3.01Å
188	P	81.8	Confident	87.6	Confident	67 Å²	67	72.3 Å²	72.3	44%	0.435	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-61.7	137.2	179.9	27	-34.6	0	0	0	111	V190	P188-V190 PolarHBondContact O-N 3.25Å
189	E	81.5	Confident	87.4	Confident	90 Å²	90	73.3 Å²	73.3	42%	0.421	43%	0.427	S	S	.	.	S	Bend	trans	-75	-14.5	178.2	-76.1	-84.7	173.8	0	0	112.1	F38 K40 K155 P187	F38-E189 HydrophobicContact CB-CG 3.95Å; F38-E189 HydrophobicContact CD1-CG 3.93Å; F38-E189 HydrophobicContact CG-CG 4.12Å; K40-E189 WeakPolarHBondContact CE-OE1 3.11Å; K40-E189 WeakPolarHBondContact CE-OE2 3.05Å; K40-E189 VanDerWaalsContact NZ-CD 3.26Å; K40-E189 IonicContact NZ-OE1 3Å; K40-E189 PolarHBondContact NZ-OE1 2.88Å; K40-E189 IonicContact NZ-OE2 2.8Å; K40-E189 PolarHBondContact NZ-OE2 3.4Å; K155-E189 HydrophobicContact CG-CB 3.93Å; K155-E189 PolarHBondContact O-N 2.96Å; P187-E189 PolarHBondContact O-N 3.01Å
190	V	86.4	Confident	87	Confident	40 Å²	40	73.5 Å²	73.5	24%	0.242	43%	0.43	C	S	.	.	S	Bend	trans	-144.6	146.4	177.1	-64.7	0	0	0	0	110.2	D128 K155 S156 P188	D128-V190 HydrophobicContact CB-CG2 3.71Å; K155-V190 HydrophobicContact CB-CG2 4.16Å; K155-V190 HydrophobicContact CD-CB 4.44Å; K155-V190 HydrophobicContact CD-CG1 3.8Å; K155-V190 HydrophobicContact CD-CG2 3.76Å; K155-V190 VanDerWaalsContact CE-CG1 3.5Å; K155-V190 HydrophobicContact CG-CG1 4.42Å; K155-V190 HydrophobicContact CG-CG2 3.8Å; K155-V190 VanDerWaalsContact NZ-CG1 3.34Å; S156-V190 WeakPolarHBondContact CB-O 3.31Å; P188-V190 PolarHBondContact O-N 3.25Å
191	H	86.4	Confident	86.8	Confident	172 Å²	172	73.1 Å²	73.1	80%	0.796	42%	0.422	S	S	*	.			trans	-81.3	131	168.3	-156.2	73	0	0	0	109.5
192	L	88.4	Confident	86.9	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.063	42%	0.417	C	S	.	.			trans	-75.9	137.3	174.3	-171.6	68.5	0	0	0	109.5	V127 D128 Y158 I194 Q197	V127-L192 HydrophobicContact CG2-CD1 4.09Å; D128-L192 HydrophobicContact CB-CD1 4.06Å; Y158-L192 HydrophobicContact CD1-CD2 4.02Å; Y158-L192 HydrophobicContact CD2-CD2 3.22Å; Y158-L192 HydrophobicContact CE1-CD2 4.4Å; Y158-L192 HydrophobicContact CE2-CD2 3.67Å; Y158-L192 HydrophobicContact CG-CD2 3.4Å; Y158-L192 VanDerWaalsContact CG-CD2 3.4Å; L192-I194 HydrophobicContact CB-CD1 4.22Å; L192-I194 HydrophobicContact CD2-CD1 4.22Å; L192-I194 HydrophobicContact CG-CD1 4.45Å; L192-I194 PolarHBondContact O-N 3.24Å; L192-Q197 HydrophobicContact CD2-CB 4.08Å; L192-Q197 HydrophobicContact CD2-CG 4Å; L192-Q197 HydrophobicContact CG-CB 4.43Å
193	D	91.2	Very high	87.4	Confident	87 Å²	87	68.1 Å²	68.1	47%	0.465	40%	0.399	S	S	.	.			trans	-72.3	93.8	168.4	-173.8	-21.4	0	0	0	109.1	A195 A196 Q197	D193-A195 VanDerWaalsContact C-N 3.26Å; D193-A195 PolarHBondContact O-N 3.23Å; D193-A195 PolarHBondContact OD1-N 2.9Å; D193-A196 HydrophobicContact CB-CB 3.97Å; D193-A196 PolarHBondContact O-N 3.23Å; D193-A196 PolarHBondContact OD1-N 3.42Å; D193-Q197 WeakPolarHBondContact O-CB 3.35Å; D193-Q197 PolarHBondContact O-N 2.99Å
194	I	89.9	Confident	88	Confident	81 Å²	81	68.1 Å²	68.1	42%	0.415	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-36	-176	-58.6	-58.3	0	0	0	111.5	L192 Q197 Q198	L192-I194 HydrophobicContact CB-CD1 4.22Å; L192-I194 HydrophobicContact CD2-CD1 4.22Å; L192-I194 HydrophobicContact CG-CD1 4.45Å; L192-I194 PolarHBondContact O-N 3.24Å; I194-Q197 PolarHBondContact O-N 3.37Å; I194-Q198 HydrophobicContact CG2-CG 4.21Å; I194-Q198 WeakPolarHBondContact O-CB 3.48Å; I194-Q198 VanDerWaalsContact O-CG 3.24Å; I194-Q198 WeakPolarHBondContact O-CG 3.37Å; I194-Q198 PolarHBondContact O-N 3.01Å
195	A	91.7	Very high	88.3	Confident	66 Å²	66	66.5 Å²	66.5	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-46	-179.8	0	0	0	0	0	111	D193 Q197 Q198 Q199	D193-A195 VanDerWaalsContact C-N 3.26Å; D193-A195 PolarHBondContact O-N 3.23Å; D193-A195 PolarHBondContact OD1-N 2.9Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 2.97Å; A195-Q198 PolarHBondContact O-N 2.98Å; A195-Q199 PolarHBondContact O-N 3.44Å; A195-Q199 VanDerWaalsContact O-N 3.08Å
196	A	89.9	Confident	88.8	Confident	45 Å²	45	66.7 Å²	66.7	37%	0.372	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-38.3	174.5	0	0	0	0	0	111.8	D193 Q199 N200	D193-A196 HydrophobicContact CB-CB 3.97Å; D193-A196 PolarHBondContact O-N 3.23Å; D193-A196 PolarHBondContact OD1-N 3.42Å; A196-Q199 PolarHBondContact O-N 3.37Å; A196-N200 PolarHBondContact O-N 2.91Å; A196-N200 PolarHBondContact O-ND2 3.34Å
197	Q	90.9	Very high	89.1	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.014	38%	0.384	C	S	.	.	H	α-helix	trans	-70.2	-40.3	178.7	-171.7	57.7	26.3	0	0	112.7	E151 Y158 L192 D193 I194 A195 Q199 N200 E201	E151-Q197 PolarHBondContact OE2-NE2 2.91Å; Y158-Q197 HydrophobicContact CD1-CG 4.43Å; Y158-Q197 HydrophobicContact CE1-CG 3.62Å; Y158-Q197 HydrophobicContact CE2-CG 4.15Å; Y158-Q197 VanDerWaalsContact CZ-CG 3.45Å; Y158-Q197 WeakPolarHBondContact OH-CG 3.25Å; L192-Q197 HydrophobicContact CD2-CB 4.08Å; L192-Q197 HydrophobicContact CD2-CG 4Å; L192-Q197 HydrophobicContact CG-CB 4.43Å; D193-Q197 WeakPolarHBondContact O-CB 3.35Å; D193-Q197 PolarHBondContact O-N 2.99Å; I194-Q197 PolarHBondContact O-N 3.37Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 2.97Å; Q197-Q199 VanDerWaalsContact C-N 3.29Å; Q197-Q199 PolarHBondContact O-N 2.66Å; Q197-N200 WeakPolarHBondContact O-CB 3.28Å; Q197-N200 PolarHBondContact O-N 3.16Å; Q197-N200 VanDerWaalsContact O-N 3.16Å; Q197-E201 WeakPolarHBondContact O-CG 3.39Å; Q197-E201 PolarHBondContact O-N 3.1Å
198	Q	91.5	Very high	89.3	Confident	120 Å²	120	63 Å²	63	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-61.1	-39.1	173.9	-76.8	173.4	-11.2	0	0	111.6	I194 A195 E201 A202	I194-Q198 HydrophobicContact CG2-CG 4.21Å; I194-Q198 WeakPolarHBondContact O-CB 3.48Å; I194-Q198 VanDerWaalsContact O-CG 3.24Å; I194-Q198 WeakPolarHBondContact O-CG 3.37Å; I194-Q198 PolarHBondContact O-N 3.01Å; A195-Q198 PolarHBondContact O-N 2.98Å; Q198-E201 PolarHBondContact O-N 2.97Å; Q198-A202 PolarHBondContact O-N 3.02Å
199	Q	91.9	Very high	89.4	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-43	173.4	-174.2	60.3	55.2	0	0	111.7	A195 A196 Q197 E201 A202 D203	A195-Q199 PolarHBondContact O-N 3.44Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; A196-Q199 PolarHBondContact O-N 3.37Å; Q197-Q199 VanDerWaalsContact C-N 3.29Å; Q197-Q199 PolarHBondContact O-N 2.66Å; Q199-E201 VanDerWaalsContact C-N 3.33Å; Q199-E201 PolarHBondContact O-N 3.18Å; Q199-A202 PolarHBondContact O-N 3.27Å; Q199-D203 PolarHBondContact NE2-OD1 3.05Å; Q199-D203 VanDerWaalsContact O-CG 3.3Å; Q199-D203 PolarHBondContact O-N 3.12Å
200	N	90.2	Very high	89.7	Confident	33 Å²	33	65.2 Å²	65.2	18%	0.176	39%	0.389	C	S	.	.	H	α-helix	trans	-61.3	-40.3	175.1	-75.3	-36.8	0	0	0	112.2	R132 A196 Q197 D203 L204	R132-N200 VanDerWaalsContact NH1-CG 3.29Å; R132-N200 PolarHBondContact NH1-ND2 2.76Å; A196-N200 PolarHBondContact O-N 2.91Å; A196-N200 PolarHBondContact O-ND2 3.34Å; Q197-N200 WeakPolarHBondContact O-CB 3.28Å; Q197-N200 PolarHBondContact O-N 3.16Å; Q197-N200 VanDerWaalsContact O-N 3.16Å; N200-D203 PolarHBondContact O-N 2.9Å; N200-L204 WeakPolarHBondContact O-CG 3.45Å; N200-L204 PolarHBondContact O-N 2.74Å
201	E	91.4	Very high	89.6	Confident	72 Å²	72	68.4 Å²	68.4	34%	0.336	41%	0.411	S	S	.	.	H	α-helix	trans	-65.6	-40.4	176.3	-71.7	-172.3	161.9	0	0	112.2	Y158 Q197 Q198 Q199 D203 L204 A205	Y158-E201 VanDerWaalsContact OH-CD 3.24Å; Y158-E201 PolarHBondContact OH-OE1 2.93Å; Q197-E201 WeakPolarHBondContact O-CG 3.39Å; Q197-E201 PolarHBondContact O-N 3.1Å; Q198-E201 PolarHBondContact O-N 2.97Å; Q199-E201 VanDerWaalsContact C-N 3.33Å; Q199-E201 PolarHBondContact O-N 3.18Å; E201-D203 VanDerWaalsContact C-N 3.35Å; E201-L204 PolarHBondContact O-N 3.47Å; E201-A205 WeakPolarHBondContact O-CB 3.3Å; E201-A205 PolarHBondContact O-N 3.37Å
202	A	93.4	Very high	89.4	Confident	51 Å²	51	63.3 Å²	63.3	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-42.4	172.8	0	0	0	0	0	111.6	Q198 Q199 A205 A206	Q198-A202 PolarHBondContact O-N 3.02Å; Q199-A202 PolarHBondContact O-N 3.27Å; A202-A205 PolarHBondContact O-N 2.8Å; A202-A206 WeakPolarHBondContact O-CB 3.44Å; A202-A206 PolarHBondContact O-N 3.05Å
203	D	91.8	Very high	88.9	Confident	54 Å²	54	66.2 Å²	66.2	29%	0.289	41%	0.409	S	S	.	.	H	α-helix	trans	-65.4	-37.8	177	-72.3	-4.3	0	0	0	112.1	A136 Q199 N200 E201 A207	A136-D203 HydrophobicContact CB-CB 3.71Å; Q199-D203 PolarHBondContact NE2-OD1 3.05Å; Q199-D203 VanDerWaalsContact O-CG 3.3Å; Q199-D203 PolarHBondContact O-N 3.12Å; N200-D203 PolarHBondContact O-N 2.9Å; E201-D203 VanDerWaalsContact C-N 3.35Å; D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.22Å; D203-A207 PolarHBondContact O-N 2.87Å
204	L	89.8	Confident	87.9	Confident	32 Å²	32	69 Å²	69	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-64.4	-45.6	173.4	-78.4	170.4	0	0	0	111.6	A136 Y149 E151 N200 E201 A207 A208	A136-L204 HydrophobicContact CB-CB 4.43Å; A136-L204 HydrophobicContact CB-CD2 3.7Å; A136-L204 HydrophobicContact CB-CG 3.66Å; Y149-L204 HydrophobicContact CD1-CD1 4.39Å; Y149-L204 HydrophobicContact CD1-CD2 4.24Å; Y149-L204 HydrophobicContact CE1-CD1 3.71Å; Y149-L204 HydrophobicContact CE1-CD2 3.62Å; Y149-L204 HydrophobicContact CE1-CG 4.33Å; E151-L204 HydrophobicContact CG-CD1 4.15Å; E151-L204 WeakPolarHBondContact OE1-CD1 3.49Å; N200-L204 WeakPolarHBondContact O-CG 3.45Å; N200-L204 PolarHBondContact O-N 2.74Å; E201-L204 PolarHBondContact O-N 3.47Å; L204-A207 PolarHBondContact O-N 3.08Å; L204-A208 WeakPolarHBondContact O-CB 3.4Å; L204-A208 PolarHBondContact O-N 3.31Å
205	A	91.2	Very high	86.5	Confident	65 Å²	65	71 Å²	71	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-42.7	177.6	0	0	0	0	0	111.4	E201 A202 A208 A209	E201-A205 WeakPolarHBondContact O-CB 3.3Å; E201-A205 PolarHBondContact O-N 3.37Å; A202-A205 PolarHBondContact O-N 2.8Å; A205-A208 PolarHBondContact O-N 2.99Å; A205-A209 PolarHBondContact O-N 3.14Å
206	A	91.7	Very high	84.4	Confident	53 Å²	53	74 Å²	74	44%	0.438	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175	0	0	0	0	0	111.9	A202 A208 A209	A202-A206 WeakPolarHBondContact O-CB 3.44Å; A202-A206 PolarHBondContact O-N 3.05Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 3.25Å; A206-A209 PolarHBondContact O-N 3.4Å
207	A	88.2	Confident	82.5	Confident	17 Å²	17	78.9 Å²	78.9	14%	0.14	46%	0.462	C	S	.	.	H	α-helix	trans	-66.4	-34	176.6	0	0	0	0	0	112.7	K137 R143 D203 L204 A209 Q210	K137-A207 HydrophobicContact CG-CB 4.26Å; R143-A207 PolarHBondContact NH1-O 3.46Å; D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.22Å; D203-A207 PolarHBondContact O-N 2.87Å; L204-A207 PolarHBondContact O-N 3.08Å; A207-A209 VanDerWaalsContact C-N 3.25Å; A207-A209 PolarHBondContact O-N 3.43Å; A207-Q210 PolarHBondContact O-N 3.41Å
208	A	85.6	Confident	80.5	Confident	53 Å²	53	85.5 Å²	85.5	44%	0.438	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-28.9	175.5	0	0	0	0	0	112.7	R143 L204 A205 A206 Q210	R143-A208 PolarHBondContact NH2-O 3.4Å; L204-A208 WeakPolarHBondContact O-CB 3.4Å; L204-A208 PolarHBondContact O-N 3.31Å; A205-A208 PolarHBondContact O-N 2.99Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 3.25Å; A208-Q210 VanDerWaalsContact C-N 3.34Å
209	A	85.4	Confident	78.4	Confident	81 Å²	81	83.8 Å²	83.8	67%	0.669	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13	176	0	0	0	0	0	114	A205 A206 A207	A205-A209 PolarHBondContact O-N 3.14Å; A206-A209 PolarHBondContact O-N 3.4Å; A207-A209 VanDerWaalsContact C-N 3.25Å; A207-A209 PolarHBondContact O-N 3.43Å
210	Q	86	Confident	76.2	Confident	122 Å²	122	81.8 Å²	81.8	57%	0.57	49%	0.494	S	S	*	.	S	Bend	trans	-87.9	150.5	177.5	-64	-60	-42.5	0	0	111.4	R143 A207 A208	R143-Q210 VanDerWaalsContact CZ-O 3.26Å; R143-Q210 PolarHBondContact NH1-O 2.73Å; R143-Q210 PolarHBondContact NH2-O 3.11Å; A207-Q210 PolarHBondContact O-N 3.41Å; A208-Q210 VanDerWaalsContact C-N 3.34Å
211	P	85.2	Confident	73.8	Confident	107 Å²	107	91.6 Å²	91.6	70%	0.695	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-50.3	149.1	168.9	-25.1	34.6	0	0	0	111.6
212	L	82.8	Confident	72.9	Confident	64 Å²	64	92.6 Å²	92.6	34%	0.335	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-64.4	138.8	170.6	-72.8	167.5	0	0	0	108.4	T140 R143 K144 D214	T140-L212 HydrophobicContact CG2-CD2 4.47Å; R143-L212 HydrophobicContact CB-CD1 4.36Å; R143-L212 HydrophobicContact CB-CD2 3.72Å; R143-L212 HydrophobicContact CG-CD2 4.45Å; K144-L212 HydrophobicContact CG-CD1 4.03Å; K144-L212 HydrophobicContact CG-CD2 4.24Å; L212-D214 PolarHBondContact O-N 3.37Å
213	P	77.1	Confident	71.8	Confident	74 Å²	74	94.7 Å²	94.7	48%	0.481	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58.1	141	170.6	26.4	-32.5	0	0	0	108.4	T140	T140-P213 HydrophobicContact CG2-CG 4.36Å
214	D	70.5	Confident	70.7	Confident	145 Å²	145	97 Å²	97	78%	0.775	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-52.8	146.3	169.2	-67.4	-39.1	0	0	0	108.8	L212 D216	L212-D214 PolarHBondContact O-N 3.37Å; D214-D216 PolarHBondContact O-N 3.35Å
215	D	59.5	Low	69.5	Low	122 Å²	122	100.8 Å²	100.8	65%	0.652	59%	0.593	S	S	*	*	S	Bend	trans	-68.5	63	-176.7	-76.1	-36	0	0	0	111.4	K144	K144-D215 WeakPolarHBondContact CE-OD1 3.48Å; K144-D215 IonicContact NZ-OD1 3.04Å; K144-D215 PolarHBondContact NZ-OD1 3.22Å
216	D	47.7	Very low	68.2	Low	131 Å²	131	103.1 Å²	103.1	70%	0.701	60%	0.597	S	S	*	*			trans	-90.7	94.8	159.8	-70.6	-23.3	0	0	0	106.5	D214 D218	D214-D216 PolarHBondContact O-N 3.35Å; D216-D218 PolarHBondContact O-N 3.35Å
217	D	51.3	Low	66.6	Low	147 Å²	147	106.4 Å²	106.4	79%	0.786	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	14	178	-87.2	-34.9	0	0	0	114.3
218	D	47.6	Very low	65.1	Low	142 Å²	142	112.8 Å²	112.8	76%	0.759	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	2.5	-170.9	-70.6	-33.7	0	0	0	115.3	D216 F220	D216-D218 PolarHBondContact O-N 3.35Å; D218-F220 PolarHBondContact O-N 3.36Å
219	A	47.9	Very low	63.5	Low	84 Å²	84	117.4 Å²	117.4	69%	0.694	66%	0.656	S	S	*	*			trans	-78.6	19.9	-177.8	0	0	0	0	0	115.8
220	F	46.6	Very low	61.7	Low	69 Å²	69	120.4 Å²	120.4	30%	0.303	66%	0.655	S	S	.	*			trans	-121.5	64.1	172.9	-70.7	-81.7	0	0	0	111.3	Y101 Q138 D218	Y101-F220 HydrophobicContact CD1-CE1 4.37Å; Y101-F220 AromaticContact CD1-CZ 3.77Å; Y101-F220 HydrophobicContact CD1-CZ 3.77Å; Y101-F220 AromaticContact CE1-CZ 3.88Å; Y101-F220 HydrophobicContact CE1-CZ 3.88Å; Q138-F220 HydrophobicContact CB-CZ 4.45Å; D218-F220 PolarHBondContact O-N 3.36Å
221	E	38.4	Very low	59.5	Low	238 Å²	238	120.3 Å²	120.3	100%	1.112	66%	0.663	S	S	*	*			trans	-84.5	0	151.6	-70.5	-170	161.2	0	0	111.2

Retrieved 221 of 221 residues in 53.1 ms (Link to these results)

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