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GTP-binding nuclear protein Ran-1

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 P41916, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene RAN1, 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	42.3	Very low	67.2	Low	207 Å²	207	111.2 Å²	111.2	100%	1.02	61%	0.612	S	S	*	*				0	117.2	0	-78.9	173.5	-164.6	0	0	108.1
2	A	49.3	Very low	69.6	Low	79 Å²	79	108.3 Å²	108.3	65%	0.653	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-62.4	138	163.1	0	0	0	0	0	107.8
3	L	52.8	Low	71.7	Confident	67 Å²	67	103.2 Å²	103.2	35%	0.351	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-61	138.5	173.3	-69.9	171	0	0	0	108.4	N5 V48 V50 W67	L3-N5 PolarHBondContact O-N 3.15Å; L3-V48 HydrophobicContact CD1-CG1 4.48Å; L3-V50 HydrophobicContact CD1-CB 4.02Å; L3-V50 HydrophobicContact CD1-CG2 3.26Å; L3-W67 HydrophobicContact CD1-CH2 4.12Å; L3-W67 HydrophobicContact CD1-CZ2 4.39Å; L3-W67 HydrophobicContact CD1-CZ3 4.35Å; L3-W67 HydrophobicContact CG-CH2 3.77Å; L3-W67 HydrophobicContact CG-CZ2 4.23Å; L3-W67 HydrophobicContact CG-CZ3 4.31Å
4	P	47.1	Very low	73.5	Confident	114 Å²	114	98 Å²	98	74%	0.74	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	136.9	173.9	22	-29.7	0	0	0	109.4
5	N	56.2	Low	75	Confident	165 Å²	165	93 Å²	93	88%	0.882	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	13.3	179.9	-52.8	-20.8	0	0	0	118.7	L3 Q7	L3-N5 PolarHBondContact O-N 3.15Å; N5-Q7 PolarHBondContact O-N 3.19Å; N5-Q7 VanDerWaalsContact O-N 3.13Å
6	Q	63.8	Low	76.5	Confident	56 Å²	56	87.2 Å²	87.2	26%	0.262	49%	0.485	S	S	.	.			trans	-73.4	105	165	-74.6	177.6	-4	0	0	110.2	T8 Y65	Q6-T8 PolarHBondContact O-N 2.9Å; Q6-T8 VanDerWaalsContact O-N 3.11Å; Q6-Y65 HydrophobicContact CG-CD1 4.44Å
7	Q	69.1	Low	77.7	Confident	155 Å²	155	82.1 Å²	82.1	72%	0.724	46%	0.456	S	S	*	.			trans	-59.6	113.5	173.1	-72.4	-180	-9.8	0	0	109.4	N5 V9 Y65	N5-Q7 PolarHBondContact O-N 3.19Å; N5-Q7 VanDerWaalsContact O-N 3.13Å; Q7-V9 PolarHBondContact O-N 3.12Å; Q7-Y65 PolarHBondContact O-OH 3.32Å
8	T	80.1	Confident	78.8	Confident	138 Å²	138	77.5 Å²	77.5	85%	0.847	43%	0.431	S	S	*	.			trans	-61.2	136.9	170.3	50.6	0	0	0	0	109.7	Q6	Q6-T8 PolarHBondContact O-N 2.9Å; Q6-T8 VanDerWaalsContact O-N 3.11Å
9	V	91.3	Very high	79.7	Confident	35 Å²	35	73.4 Å²	73.4	21%	0.212	41%	0.408	C	S	.	.			trans	-106.4	155.9	176.5	-67.2	0	0	0	0	110.2	Q7 Y11	Q7-V9 PolarHBondContact O-N 3.12Å; V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 HydrophobicContact CB-CD1 3.91Å; V9-Y11 HydrophobicContact CB-CD2 4.45Å; V9-Y11 HydrophobicContact CB-CE1 3.59Å; V9-Y11 HydrophobicContact CB-CE2 4.21Å; V9-Y11 HydrophobicContact CB-CG 4.32Å; V9-Y11 HydrophobicContact CG1-CE1 3.81Å; V9-Y11 HydrophobicContact CG1-CE2 4.45Å; V9-Y11 HydrophobicContact CG2-CD1 4.4Å; V9-Y11 HydrophobicContact CG2-CD2 4.09Å; V9-Y11 HydrophobicContact CG2-CE1 4.24Å; V9-Y11 HydrophobicContact CG2-CE2 3.96Å; V9-Y11 HydrophobicContact CG2-CG 4.32Å; V9-Y11 WeakPolarHBondContact CG2-O 3.5Å
10	D	93.3	Very high	80.6	Confident	163 Å²	163	69.8 Å²	69.8	87%	0.872	39%	0.388	S	S	*	.	S	Bend	trans	-88.8	8.4	179.6	62.3	-22.4	0	0	0	113.8
11	Y	94.5	Very high	81.3	Confident	44 Å²	44	67.6 Å²	67.6	17%	0.173	38%	0.376	C	S	.	.	S	Bend	trans	-124	166	176.3	55.7	-94.4	0	0	0	111.1	V9 S13 D54 K61 R63	V9-Y11 VanDerWaalsContact C-N 3.31Å; V9-Y11 HydrophobicContact CB-CD1 3.91Å; V9-Y11 HydrophobicContact CB-CD2 4.45Å; V9-Y11 HydrophobicContact CB-CE1 3.59Å; V9-Y11 HydrophobicContact CB-CE2 4.21Å; V9-Y11 HydrophobicContact CB-CG 4.32Å; V9-Y11 HydrophobicContact CG1-CE1 3.81Å; V9-Y11 HydrophobicContact CG1-CE2 4.45Å; V9-Y11 HydrophobicContact CG2-CD1 4.4Å; V9-Y11 HydrophobicContact CG2-CD2 4.09Å; V9-Y11 HydrophobicContact CG2-CE1 4.24Å; V9-Y11 HydrophobicContact CG2-CE2 3.96Å; V9-Y11 HydrophobicContact CG2-CG 4.32Å; V9-Y11 WeakPolarHBondContact CG2-O 3.5Å; Y11-S13 PolarHBondContact O-N 3.36Å; Y11-D54 PolarHBondContact OH-OD1 3.14Å; Y11-D54 PolarHBondContact OH-OD2 3.24Å; Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.12Å; Y11-K61 HydrophobicContact CD2-CD 4.39Å; Y11-K61 HydrophobicContact CD2-CG 4.06Å; Y11-K61 WeakPolarHBondContact CD2-O 3.26Å; Y11-K61 HydrophobicContact CE1-CD 3.88Å; Y11-K61 HydrophobicContact CE2-CB 4.31Å; Y11-K61 HydrophobicContact CE2-CD 3.83Å; Y11-K61 HydrophobicContact CE2-CG 3.74Å; Y11-K61 HydrophobicContact CG-CB 4.31Å; Y11-K61 VanDerWaalsContact OH-CE 3.24Å; Y11-K61 WeakPolarHBondContact OH-CE 3.42Å; Y11-K61 PolarHBondContact OH-NZ 3.36Å; Y11-R63 HydrophobicContact CE2-CB 3.71Å; Y11-R63 VanDerWaalsContact OH-CZ 3.31Å; Y11-R63 PolarHBondContact OH-NE 3.06Å; Y11-R63 PolarHBondContact OH-NH2 2.97Å; Y11-R63 VanDerWaalsContact OH-NH2 3.13Å
12	P	95.8	Very high	83.8	Confident	76 Å²	76	59 Å²	59	49%	0.494	34%	0.34	S	S	.	.			trans	-54.5	127.6	-176.2	-27.6	35.7	0	0	0	112.7	F14 I62 R63	P12-F14 HydrophobicContact CB-CE2 4.09Å; P12-F14 HydrophobicContact CB-CZ 4.15Å; P12-I62 HydrophobicContact CB-CG2 4.33Å; P12-I62 WeakPolarHBondContact O-CA 3.36Å; P12-R63 PolarHBondContact O-N 2.89Å
13	S	96.3	Very high	85.9	Confident	42 Å²	42	56.4 Å²	56.4	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.6	176.2	62.6	0	0	0	0	112	Y11 R63	Y11-S13 PolarHBondContact O-N 3.36Å; S13-R63 CarbonylContact C-O 3.56Å; S13-R63 WeakPolarHBondContact CA-O 3.34Å
14	F	97.1	Very high	88	Confident	31 Å²	31	53.2 Å²	53.2	14%	0.136	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.8	-172.4	-53.6	-80.4	0	0	0	111.1	P12 L16 R63 F64 Y65 Q87 L171	P12-F14 HydrophobicContact CB-CE2 4.09Å; P12-F14 HydrophobicContact CB-CZ 4.15Å; F14-L16 PolarHBondContact O-N 3.47Å; F14-R63 PolarHBondContact N-O 3.16Å; F14-F64 HydrophobicContact CB-CD1 3.95Å; F14-F64 HydrophobicContact CB-CE1 4.1Å; F14-F64 HydrophobicContact CD2-CE1 4.28Å; F14-F64 CarbonylContact O-C 3.52Å; F14-F64 WeakPolarHBondContact O-CA 3.4Å; F14-Y65 PolarHBondContact O-N 2.89Å; F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; F14-L171 HydrophobicContact CB-CD1 3.98Å; F14-L171 HydrophobicContact CD1-CB 4.16Å; F14-L171 HydrophobicContact CD1-CD1 3.9Å; F14-L171 HydrophobicContact CD1-CD2 4.02Å; F14-L171 HydrophobicContact CD1-CG 4.26Å; F14-L171 HydrophobicContact CD2-CD1 4.04Å; F14-L171 HydrophobicContact CE1-CB 3.83Å; F14-L171 HydrophobicContact CE1-CD1 4.4Å; F14-L171 HydrophobicContact CE1-CD2 4.32Å; F14-L171 HydrophobicContact CE1-CG 4.42Å; F14-L171 HydrophobicContact CE2-CB 4.34Å; F14-L171 HydrophobicContact CG-CD1 3.7Å; F14-L171 HydrophobicContact CZ-CB 3.93Å
15	K	96.8	Very high	90.4	Very high	23 Å²	23	48.4 Å²	48.4	10%	0.1	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	112	168.1	-179.9	168.6	170.6	174.2	0	109.8	V17 W67 Y82 I84 Q87 C88	K15-V17 HydrophobicContact CG-CG2 4.46Å; K15-W67 HydrophobicContact CD-CD2 4.41Å; K15-W67 HydrophobicContact CD-CZ2 4.33Å; K15-W67 VanDerWaalsContact CE-CE2 3.5Å; K15-W67 HydrophobicContact CG-CG 4.41Å; K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.36Å; K15-Y82 PolarHBondContact NZ-O 3Å; K15-I84 PolarHBondContact NZ-O 3.08Å; K15-Q87 PolarHBondContact O-N 3.04Å; K15-C88 PolarHBondContact O-N 3.25Å
16	L	97.9	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.5	172.3	170.3	63.9	0	0	0	109.2	F14 F64 Y65 C66 W67 C88 I90 F164 L167	F14-L16 PolarHBondContact O-N 3.47Å; L16-F64 HydrophobicContact CB-CB 4.08Å; L16-F64 HydrophobicContact CB-CD1 3.91Å; L16-F64 HydrophobicContact CB-CG 4.34Å; L16-F64 HydrophobicContact CD2-CB 4.23Å; L16-F64 HydrophobicContact CD2-CD1 4.45Å; L16-F64 HydrophobicContact CD2-CG 4.35Å; L16-Y65 PolarHBondContact N-O 2.86Å; L16-C66 HydrophobicContact CD2-CB 4.24Å; L16-C66 CarbonylContact O-C 3.49Å; L16-C66 WeakPolarHBondContact O-CA 3.33Å; L16-W67 PolarHBondContact O-N 3.19Å; L16-C88 WeakPolarHBondContact CA-O 3.44Å; L16-C88 HydrophobicContact CD1-CB 4.46Å; L16-I90 HydrophobicContact CD1-CD1 4.32Å; L16-I90 HydrophobicContact CD1-CG1 4.12Å; L16-I90 HydrophobicContact CD2-CD1 4.2Å; L16-F164 HydrophobicContact CD2-CD1 4.06Å; L16-F164 HydrophobicContact CD2-CE1 3.55Å; L16-L167 HydrophobicContact CD1-CD1 3.64Å
17	V	96.8	Very high	93.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.8	173.9	178.3	0	0	0	0	109.2	K15 V19 T69 Y83 C88 A89 I90 L111	K15-V17 HydrophobicContact CG-CG2 4.46Å; V17-V19 HydrophobicContact CG1-CG1 3.81Å; V17-T69 HydrophobicContact CG1-CG2 4.31Å; V17-Y83 HydrophobicContact CG1-CD1 3.68Å; V17-Y83 HydrophobicContact CG1-CE1 3.95Å; V17-C88 PolarHBondContact N-O 3.4Å; V17-A89 HydrophobicContact CB-CB 4.39Å; V17-A89 CarbonylContact O-C 3.56Å; V17-A89 WeakPolarHBondContact O-CA 3.44Å; V17-A89 WeakPolarHBondContact O-CB 3.4Å; V17-I90 PolarHBondContact O-N 3.49Å; V17-L111 HydrophobicContact CB-CD1 4.45Å; V17-L111 HydrophobicContact CG1-CD1 4.2Å
18	I	97.3	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.7	173	-170	173.2	0	0	0	110.3	K26 F29 V30 W67 D68 T69 I90 M92	I18-K26 HydrophobicContact CD1-CB 3.86Å; I18-K26 HydrophobicContact CD1-CG 4.05Å; I18-K26 HydrophobicContact CG1-CB 4.08Å; I18-K26 HydrophobicContact CG1-CD 4.02Å; I18-K26 HydrophobicContact CG1-CG 3.9Å; I18-K26 HydrophobicContact CG2-CB 4.46Å; I18-F29 HydrophobicContact CD1-CD1 4.06Å; I18-V30 HydrophobicContact CD1-CG2 4.18Å; I18-V30 HydrophobicContact CG2-CG2 4.18Å; I18-W67 WeakPolarHBondContact CG2-O 3.32Å; I18-W67 PolarHBondContact N-O 2.77Å; I18-W67 VanDerWaalsContact N-O 3.08Å; I18-D68 VanDerWaalsContact CG2-CA 3.48Å; I18-D68 HydrophobicContact CG2-CB 4.08Å; I18-T69 PolarHBondContact O-N 3.19Å; I18-T69 PolarHBondContact O-OG1 2.81Å; I18-I90 WeakPolarHBondContact CA-O 2.86Å; I18-I90 HydrophobicContact CB-CB 4.48Å; I18-I90 HydrophobicContact CD1-CB 4.44Å; I18-I90 HydrophobicContact CD1-CG2 4.2Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.04Å; I18-M92 HydrophobicContact CD1-CE 3.96Å
19	V	96.5	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	165.2	-174.3	-70.4	0	0	0	0	111.5	V17 K26 T69 Y83 I90 I91 M92 W107	V17-V19 HydrophobicContact CG1-CG1 3.81Å; V19-K26 VanDerWaalsContact C-CD 3.48Å; V19-T69 HydrophobicContact CG1-CG2 4.37Å; V19-Y83 HydrophobicContact CG1-CD1 4.46Å; V19-Y83 HydrophobicContact CG1-CE1 3.46Å; V19-Y83 VanDerWaalsContact CG1-CE1 3.46Å; V19-I90 PolarHBondContact N-O 3.05Å; V19-I91 HydrophobicContact CG2-CB 4.31Å; V19-I91 HydrophobicContact CG2-CG1 3.79Å; V19-I91 HydrophobicContact CG2-CG2 4.41Å; V19-I91 WeakPolarHBondContact O-CA 3.23Å; V19-M92 PolarHBondContact O-N 3.25Å; V19-W107 HydrophobicContact CB-CD2 4.3Å; V19-W107 HydrophobicContact CB-CE3 3.68Å; V19-W107 HydrophobicContact CB-CZ3 4.1Å; V19-W107 HydrophobicContact CG1-CE3 4.12Å; V19-W107 HydrophobicContact CG1-CZ3 4.23Å; V19-W107 HydrophobicContact CG2-CB 4.42Å; V19-W107 HydrophobicContact CG2-CE3 4.46Å
20	G	97.1	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	15%	0.151	C	C	.	.			trans	136	166.7	-175.8	0	0	0	0	0	111.2	K26 G71 M92 W107	G20-K26 WeakPolarHBondContact O-CE 3.44Å; G20-K26 PolarHBondContact O-NZ 3.33Å; G20-G71 WeakPolarHBondContact O-CA 3.26Å; G20-M92 WeakPolarHBondContact CA-O 3.18Å; G20-W107 VanDerWaalsContact C-CE2 3.41Å; G20-W107 VanDerWaalsContact C-CZ2 3.44Å; G20-W107 VanDerWaalsContact O-CZ2 3.31Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å
21	D	96.3	Very high	95.7	Very high	23 Å²	23	19.3 Å²	19.3	12%	0.123	12%	0.12	C	C	.	.			trans	-56.7	160.3	-175	-77.9	12.9	0	0	0	113.8	T24 K26 T100 N103 W107	D21-T24 HydrophobicContact CB-CG2 3.87Å; D21-T24 WeakPolarHBondContact O-CG2 3.44Å; D21-T24 PolarHBondContact O-N 2.89Å; D21-T24 PolarHBondContact O-OG1 2.96Å; D21-K26 PolarHBondContact O-NZ 3.19Å; D21-T100 HydrophobicContact CB-CG2 3.84Å; D21-T100 WeakPolarHBondContact OD2-CA 3.17Å; D21-N103 WeakPolarHBondContact OD1-CB 3.27Å; D21-N103 PolarHBondContact OD2-ND2 2.95Å; D21-W107 PolarHBondContact OD1-NE1 3.5Å
22	G	94.5	Very high	95.5	Very high	26 Å²	26	17.4 Å²	17.4	27%	0.268	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	142.1	170.7	0	0	0	0	0	111.2	T24 G71	G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.28Å; G22-G71 VanDerWaalsContact N-C 3.3Å; G22-G71 PolarHBondContact N-O 3.43Å; G22-G71 VanDerWaalsContact N-O 3.1Å
23	G	94.4	Very high	95.2	Very high	26 Å²	26	14.7 Å²	14.7	27%	0.268	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	0.5	177.6	0	0	0	0	0	116	G25 Y42 K126	G23-G25 PolarHBondContact O-N 3.23Å; G23-Y42 PolarHBondContact N-OH 3.3Å; G23-K126 WeakPolarHBondContact O-CE 3.31Å; G23-K126 PolarHBondContact O-NZ 2.76Å
24	T	96.9	Very high	94.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-68.6	-19.3	176.3	57.4	0	0	0	0	113.5	D21 G22 D94 T100 N125	D21-T24 HydrophobicContact CB-CG2 3.87Å; D21-T24 WeakPolarHBondContact O-CG2 3.44Å; D21-T24 PolarHBondContact O-N 2.89Å; D21-T24 PolarHBondContact O-OG1 2.96Å; G22-T24 VanDerWaalsContact C-N 3.26Å; G22-T24 PolarHBondContact O-N 3.28Å; T24-D94 HydrophobicContact CG2-CB 4.29Å; T24-T100 HydrophobicContact CG2-CG2 3.86Å; T24-N125 PolarHBondContact O-ND2 3.02Å
25	G	95.9	Very high	94	Very high	12 Å²	12	18.4 Å²	18.4	12%	0.124	11%	0.114	C	C	.	.	S	Bend	trans	104.6	17.3	175.5	0	0	0	0	0	115.5	G23 T28 F29 M92	G23-G25 PolarHBondContact O-N 3.23Å; G25-T28 PolarHBondContact O-N 3.45Å; G25-F29 WeakPolarHBondContact O-CB 3.46Å; G25-F29 PolarHBondContact O-N 3.31Å; G25-M92 VanDerWaalsContact C-SD 3.55Å
26	K	96.6	Very high	93.4	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.039	11%	0.11	C	C	.	.	H	α-helix	trans	-52.7	-56.5	178.5	-60.5	-177.2	-58.6	-68.1	0	112.8	I18 V19 G20 D21 T28 F29 V30 D68 T69 M92	I18-K26 HydrophobicContact CD1-CB 3.86Å; I18-K26 HydrophobicContact CD1-CG 4.05Å; I18-K26 HydrophobicContact CG1-CB 4.08Å; I18-K26 HydrophobicContact CG1-CD 4.02Å; I18-K26 HydrophobicContact CG1-CG 3.9Å; I18-K26 HydrophobicContact CG2-CB 4.46Å; V19-K26 VanDerWaalsContact C-CD 3.48Å; G20-K26 WeakPolarHBondContact O-CE 3.44Å; G20-K26 PolarHBondContact O-NZ 3.33Å; D21-K26 PolarHBondContact O-NZ 3.19Å; K26-T28 VanDerWaalsContact C-N 3.35Å; K26-T28 PolarHBondContact O-N 2.84Å; K26-F29 WeakPolarHBondContact O-CB 3.37Å; K26-F29 PolarHBondContact O-N 2.93Å; K26-F29 VanDerWaalsContact O-N 3.13Å; K26-V30 WeakPolarHBondContact O-CG2 3.49Å; K26-V30 PolarHBondContact O-N 2.92Å; K26-D68 WeakPolarHBondContact CB-OD1 3.37Å; K26-T69 WeakPolarHBondContact CE-O 3.39Å; K26-M92 HydrophobicContact CG-CB 4.04Å; K26-M92 HydrophobicContact CG-SD 4.04Å; K26-M92 PolarHBondContact N-SD 3.08Å
27	T	94.7	Very high	92.7	Very high	18 Å²	18	24 Å²	24	11%	0.11	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-45.1	179.1	-46.4	0	0	0	0	111.9	F29 V30 K31 T45 D68	T27-F29 VanDerWaalsContact C-N 3.33Å; T27-F29 PolarHBondContact O-N 3.19Å; T27-V30 PolarHBondContact O-N 3.17Å; T27-K31 HydrophobicContact CG2-CD 3.94Å; T27-K31 HydrophobicContact CG2-CG 4.31Å; T27-K31 WeakPolarHBondContact O-CB 3.44Å; T27-K31 WeakPolarHBondContact O-CG 3.32Å; T27-K31 PolarHBondContact O-N 3.27Å; T27-T45 PolarHBondContact OG1-OG1 2.94Å; T27-D68 VanDerWaalsContact CA-OD2 3.27Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.46Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.27Å; T27-D68 PolarHBondContact OG1-OD2 3.3Å
28	T	94.5	Very high	92.1	Very high	26 Å²	26	26.1 Å²	26.1	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-43.3	175.9	-49.6	0	0	0	0	111.4	G25 K26 R32 F38 A154	G25-T28 PolarHBondContact O-N 3.45Å; K26-T28 VanDerWaalsContact C-N 3.35Å; K26-T28 PolarHBondContact O-N 2.84Å; T28-R32 WeakPolarHBondContact O-CB 3.44Å; T28-R32 PolarHBondContact O-N 3.49Å; T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.36Å; T28-F38 HydrophobicContact CG2-CZ 4.19Å; T28-A154 HydrophobicContact CG2-CB 4.27Å
29	F	95.2	Very high	91.4	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-44.6	177.3	179.9	-106.3	0	0	0	111.9	I18 G25 K26 T27 H33 I90 M92 I152 A154 F160 P163 F164	I18-F29 HydrophobicContact CD1-CD1 4.06Å; G25-F29 WeakPolarHBondContact O-CB 3.46Å; G25-F29 PolarHBondContact O-N 3.31Å; K26-F29 WeakPolarHBondContact O-CB 3.37Å; K26-F29 PolarHBondContact O-N 2.93Å; K26-F29 VanDerWaalsContact O-N 3.13Å; T27-F29 VanDerWaalsContact C-N 3.33Å; T27-F29 PolarHBondContact O-N 3.19Å; F29-H33 PolarHBondContact O-N 2.91Å; F29-I90 HydrophobicContact CE1-CD1 4.08Å; F29-M92 HydrophobicContact CB-CE 3.85Å; F29-M92 HydrophobicContact CD1-CE 3.96Å; F29-M92 HydrophobicContact CG-CE 3.86Å; F29-I152 HydrophobicContact CD2-CD1 3.78Å; F29-I152 HydrophobicContact CE2-CD1 3.69Å; F29-I152 HydrophobicContact CG-CD1 4.44Å; F29-I152 HydrophobicContact CZ-CD1 4.28Å; F29-A154 HydrophobicContact CB-CB 4.19Å; F29-A154 HydrophobicContact CD2-CB 4.35Å; F29-F160 AromaticContact CD2-CD2 3.67Å; F29-F160 HydrophobicContact CD2-CD2 3.67Å; F29-F160 AromaticContact CD2-CE2 3.4Å; F29-F160 HydrophobicContact CD2-CE2 3.4Å; F29-F160 VanDerWaalsContact CD2-CE2 3.4Å; F29-F160 HydrophobicContact CD2-CZ 4.19Å; F29-F160 AromaticContact CE2-CD2 3.49Å; F29-F160 HydrophobicContact CE2-CD2 3.49Å; F29-F160 VanDerWaalsContact CE2-CD2 3.49Å; F29-F160 AromaticContact CE2-CE2 3.57Å; F29-F160 HydrophobicContact CE2-CE2 3.57Å; F29-F160 HydrophobicContact CE2-CG 4.04Å; F29-F160 HydrophobicContact CE2-CZ 4.17Å; F29-F160 HydrophobicContact CG-CE2 4.23Å; F29-F160 HydrophobicContact CZ-CE2 4.49Å; F29-F160 WeakPolarHBondContact CZ-O 3.41Å; F29-F160 WeakPolarHBondContact O-CE2 3.47Å; F29-F160 VanDerWaalsContact O-CZ 3.23Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; F29-P163 HydrophobicContact CZ-CG 4.29Å; F29-F164 HydrophobicContact CD1-CE2 4.46Å; F29-F164 HydrophobicContact CD1-CZ 4.31Å; F29-F164 HydrophobicContact CE1-CD2 4.44Å; F29-F164 AromaticContact CE1-CE2 3.42Å; F29-F164 HydrophobicContact CE1-CE2 3.42Å; F29-F164 VanDerWaalsContact CE1-CE2 3.42Å; F29-F164 AromaticContact CE1-CZ 3.47Å; F29-F164 HydrophobicContact CE1-CZ 3.47Å; F29-F164 VanDerWaalsContact CE1-CZ 3.47Å; F29-F164 HydrophobicContact CE2-CE2 4.38Å; F29-F164 HydrophobicContact CZ-CD2 4.13Å; F29-F164 AromaticContact CZ-CE2 3.36Å; F29-F164 HydrophobicContact CZ-CE2 3.36Å; F29-F164 AromaticContact CZ-CZ 3.95Å; F29-F164 HydrophobicContact CZ-CZ 3.95Å
30	V	93.9	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.8	-51.1	178.7	174.9	0	0	0	0	111.8	I18 K26 T27 R32 H33 L34 H51 L53 C66	I18-V30 HydrophobicContact CD1-CG2 4.18Å; I18-V30 HydrophobicContact CG2-CG2 4.18Å; K26-V30 WeakPolarHBondContact O-CG2 3.49Å; K26-V30 PolarHBondContact O-N 2.92Å; T27-V30 PolarHBondContact O-N 3.17Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.94Å; V30-H33 WeakPolarHBondContact O-CB 3.29Å; V30-H33 PolarHBondContact O-N 3.49Å; V30-H33 VanDerWaalsContact O-N 3.13Å; V30-L34 HydrophobicContact CG1-CD1 4.39Å; V30-L34 PolarHBondContact O-N 3.35Å; V30-H51 HydrophobicContact CG1-CB 3.57Å; V30-L53 HydrophobicContact CG1-CD1 4.43Å; V30-L53 HydrophobicContact CG1-CD2 4.25Å; V30-C66 HydrophobicContact CG1-CB 4.36Å; V30-C66 WeakPolarHBondContact CG2-SG 3.47Å
31	K	91	Very high	90.4	Very high	48 Å²	48	42.8 Å²	42.8	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-35.2	-179.7	-73.6	-178.2	-179.2	176.2	0	112.2	T27 H33 L34 T35 E39	T27-K31 HydrophobicContact CG2-CD 3.94Å; T27-K31 HydrophobicContact CG2-CG 4.31Å; T27-K31 WeakPolarHBondContact O-CB 3.44Å; T27-K31 WeakPolarHBondContact O-CG 3.32Å; T27-K31 PolarHBondContact O-N 3.27Å; K31-H33 PolarHBondContact O-N 3.32Å; K31-L34 WeakPolarHBondContact O-CB 3.47Å; K31-L34 PolarHBondContact O-N 3.37Å; K31-T35 PolarHBondContact O-N 2.97Å; K31-T35 PolarHBondContact O-OG1 3.43Å; K31-T35 VanDerWaalsContact O-OG1 3.12Å; K31-E39 WeakPolarHBondContact CD-OE2 3.02Å; K31-E39 WeakPolarHBondContact CE-OE2 3.25Å; K31-E39 VanDerWaalsContact NZ-CD 3.33Å; K31-E39 IonicContact NZ-OE1 2.71Å; K31-E39 PolarHBondContact NZ-OE1 3.48Å; K31-E39 VanDerWaalsContact NZ-OE1 3.09Å; K31-E39 IonicContact NZ-OE2 3.73Å; K31-E39 PolarHBondContact NZ-OE2 3.22Å
32	R	90.5	Very high	90	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-35.7	174.9	-175.4	66	166.5	-177.2	-7.6	111.8	T28 V30 G36 E37 N157 F160 L185 A186 P187	T28-R32 WeakPolarHBondContact O-CB 3.44Å; T28-R32 PolarHBondContact O-N 3.49Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.94Å; R32-G36 WeakPolarHBondContact CD-O 3.49Å; R32-G36 VanDerWaalsContact CZ-O 3.29Å; R32-G36 PolarHBondContact NE-O 2.74Å; R32-G36 PolarHBondContact NH1-O 3.27Å; R32-G36 WeakPolarHBondContact O-CA 3.16Å; R32-G36 PolarHBondContact O-N 3.39Å; R32-E37 WeakPolarHBondContact CA-O 3.46Å; R32-E37 WeakPolarHBondContact CD-O 3.4Å; R32-E37 VanDerWaalsContact NH1-C 3.35Å; R32-N157 PolarHBondContact NE-OD1 2.87Å; R32-N157 PolarHBondContact NH2-ND2 3.23Å; R32-N157 PolarHBondContact NH2-OD1 3.39Å; R32-N157 VanDerWaalsContact NH2-OD1 3.17Å; R32-F160 HydrophobicContact CB-CE2 3.93Å; R32-F160 HydrophobicContact CB-CZ 4.08Å; R32-F160 HydrophobicContact CG-CE2 3.84Å; R32-F160 HydrophobicContact CG-CZ 4.15Å; R32-L185 HydrophobicContact CG-CD2 4.29Å; R32-L185 WeakPolarHBondContact O-CD2 3.39Å; R32-A186 PolarHBondContact NH2-O 2.99Å; R32-P187 PolarHBondContact NH2-O 2.95Å
33	H	88.1	Confident	89.7	Confident	18 Å²	18	50.9 Å²	50.9	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-40.9	173.5	-171	88.7	0	0	0	112.1	F29 V30 K31 L53 D54 F55 F160 P183	F29-H33 PolarHBondContact O-N 2.91Å; V30-H33 WeakPolarHBondContact O-CB 3.29Å; V30-H33 PolarHBondContact O-N 3.49Å; V30-H33 VanDerWaalsContact O-N 3.13Å; K31-H33 PolarHBondContact O-N 3.32Å; H33-L53 HydrophobicContact CB-CD2 4.26Å; H33-D54 PolarHBondContact NE2-O 2.76Å; H33-F55 AromaticContact CE1-CD1 3.88Å; H33-F55 AromaticContact CE1-CE1 3.18Å; H33-F55 WeakPolarHBondContact CE1-CE1 3.06Å; H33-F55 AromaticContact CE1-CE2 3.71Å; H33-F55 AromaticContact CE1-CZ 3.06Å; H33-F55 WeakPolarHBondContact CE1-CZ 3.28Å; H33-F55 AromaticContact ND1-CE1 3.85Å; H33-F55 AromaticContact ND1-CZ 3.59Å; H33-F55 AromaticContact NE2-CE2 3.76Å; H33-F55 AromaticContact NE2-CZ 3.59Å; H33-F160 HydrophobicContact CB-CE1 3.84Å; H33-F160 HydrophobicContact CB-CZ 3.78Å; H33-F160 AromaticContact ND1-CE1 3.67Å; H33-P183 WeakPolarHBondContact CE1-CG 3.24Å
34	L	85.2	Confident	89.4	Confident	66 Å²	66	52 Å²	52	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-71.9	-49.5	-175.8	-73.7	170.9	0	0	0	113.6	V30 K31 H51 P52 L53	V30-L34 HydrophobicContact CG1-CD1 4.39Å; V30-L34 PolarHBondContact O-N 3.35Å; K31-L34 WeakPolarHBondContact O-CB 3.47Å; K31-L34 PolarHBondContact O-N 3.37Å; L34-H51 HydrophobicContact CD1-CB 3.52Å; L34-H51 VanDerWaalsContact CD1-CG 3.48Å; L34-H51 WeakPolarHBondContact CD1-ND1 3.39Å; L34-H51 HydrophobicContact CD2-CB 4.49Å; L34-H51 HydrophobicContact CG-CB 4.36Å; L34-P52 VanDerWaalsContact CD2-O 3.29Å; L34-P52 WeakPolarHBondContact CD2-O 3.31Å; L34-L53 HydrophobicContact CD1-CD2 4.22Å; L34-L53 HydrophobicContact CD2-CD2 3.39Å; L34-L53 HydrophobicContact CG-CD2 3.47Å; L34-L53 VanDerWaalsContact CG-CD2 3.47Å
35	T	84.7	Confident	88.9	Confident	86 Å²	86	52.6 Å²	52.6	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-105.2	-13.1	-169.8	67.3	0	0	0	0	112.3	K31 E37	K31-T35 PolarHBondContact O-N 2.97Å; K31-T35 PolarHBondContact O-OG1 3.43Å; K31-T35 VanDerWaalsContact O-OG1 3.12Å; T35-E37 PolarHBondContact O-N 3.18Å; T35-E37 PolarHBondContact OG1-N 3.5Å; T35-E37 VanDerWaalsContact OG1-N 3.11Å
36	G	84.3	Confident	88.5	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	73.4	-10.8	-167.9	0	0	0	0	0	113.6	R32 A184 A186	R32-G36 WeakPolarHBondContact CD-O 3.49Å; R32-G36 VanDerWaalsContact CZ-O 3.29Å; R32-G36 PolarHBondContact NE-O 2.74Å; R32-G36 PolarHBondContact NH1-O 3.27Å; R32-G36 WeakPolarHBondContact O-CA 3.16Å; R32-G36 PolarHBondContact O-N 3.39Å; G36-A184 WeakPolarHBondContact CA-O 3.36Å; G36-A186 WeakPolarHBondContact O-CA 3.32Å; G36-A186 WeakPolarHBondContact O-CB 3.39Å; G36-A186 PolarHBondContact O-N 2.9Å
37	E	83.3	Confident	88	Confident	136 Å²	136	58.5 Å²	58.5	64%	0.636	29%	0.285	S	S	*	.			trans	-90.9	150.5	-172.6	-62.5	-175.9	169.8	0	0	112.8	R32 T35	R32-E37 WeakPolarHBondContact CA-O 3.46Å; R32-E37 WeakPolarHBondContact CD-O 3.4Å; R32-E37 VanDerWaalsContact NH1-C 3.35Å; T35-E37 PolarHBondContact O-N 3.18Å; T35-E37 PolarHBondContact OG1-N 3.5Å; T35-E37 VanDerWaalsContact OG1-N 3.11Å
38	F	83.7	Confident	87.8	Confident	46 Å²	46	58.8 Å²	58.8	20%	0.202	29%	0.287	C	S	.	.			trans	-97.8	113	175.4	179.6	-101.1	0	0	0	109.6	T28 K40 K155	T28-F38 HydrophobicContact CG2-CD2 3.56Å; T28-F38 HydrophobicContact CG2-CE2 3.36Å; T28-F38 HydrophobicContact CG2-CZ 4.19Å; F38-K40 HydrophobicContact CD1-CG 3.89Å; F38-K40 HydrophobicContact CE1-CG 3.99Å; F38-K40 PolarHBondContact O-N 3.2Å; F38-K155 HydrophobicContact CD1-CG 4.18Å; F38-K155 HydrophobicContact CD2-CB 4.07Å; F38-K155 HydrophobicContact CD2-CG 4.06Å; F38-K155 HydrophobicContact CE1-CD 4.08Å; F38-K155 HydrophobicContact CE1-CG 3.83Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.52Å; F38-K155 HydrophobicContact CE2-CD 4.45Å; F38-K155 HydrophobicContact CE2-CG 3.68Å; F38-K155 HydrophobicContact CG-CG 4.3Å; F38-K155 HydrophobicContact CZ-CB 3.82Å; F38-K155 HydrophobicContact CZ-CD 3.89Å; F38-K155 HydrophobicContact CZ-CG 3.56Å
39	E	83.2	Confident	87.7	Confident	59 Å²	59	61.2 Å²	61.2	28%	0.276	30%	0.296	S	S	.	.			trans	-78.5	107.9	177.9	-168.4	171.1	-152.6	0	0	110.6	K31	K31-E39 WeakPolarHBondContact CD-OE2 3.02Å; K31-E39 WeakPolarHBondContact CE-OE2 3.25Å; K31-E39 VanDerWaalsContact NZ-CD 3.33Å; K31-E39 IonicContact NZ-OE1 2.71Å; K31-E39 PolarHBondContact NZ-OE1 3.48Å; K31-E39 VanDerWaalsContact NZ-OE1 3.09Å; K31-E39 IonicContact NZ-OE2 3.73Å; K31-E39 PolarHBondContact NZ-OE2 3.22Å
40	K	84.1	Confident	87.6	Confident	150 Å²	150	62.8 Å²	62.8	65%	0.652	31%	0.306	S	S	*	.			trans	-75.1	-32.8	-178.9	-69.3	177.4	177.9	163.2	0	113.6	F38 E189	F38-K40 HydrophobicContact CD1-CG 3.89Å; F38-K40 HydrophobicContact CE1-CG 3.99Å; F38-K40 PolarHBondContact O-N 3.2Å; K40-E189 WeakPolarHBondContact CE-OE1 3.46Å; K40-E189 WeakPolarHBondContact CE-OE2 3.07Å; K40-E189 IonicContact NZ-OE1 2.74Å; K40-E189 PolarHBondContact NZ-OE1 3.38Å; K40-E189 IonicContact NZ-OE2 3.39Å; K40-E189 PolarHBondContact NZ-OE2 3.12Å
41	K	88.4	Confident	87.6	Confident	141 Å²	141	64.1 Å²	64.1	61%	0.613	31%	0.312	S	S	*	.	S	Bend	trans	-84.3	125.9	-175.1	-171.7	-176.3	176.2	-161.3	0	108.8	E43	K41-E43 HydrophobicContact CD-CG 4.17Å; K41-E43 WeakPolarHBondContact CD-OE1 3.4Å; K41-E43 WeakPolarHBondContact CE-OE1 3.38Å; K41-E43 HydrophobicContact CG-CG 4.23Å; K41-E43 IonicContact NZ-OE1 3.22Å; K41-E43 PolarHBondContact NZ-OE1 3.3Å; K41-E43 PolarHBondContact O-N 3.23Å
42	Y	87.1	Confident	87.8	Confident	118 Å²	118	64.6 Å²	64.6	46%	0.463	32%	0.32	S	S	.	.			trans	-80.7	113.3	172.3	176.9	-111.8	0	0	0	110	G23 P44 Q72	G23-Y42 PolarHBondContact N-OH 3.3Å; Y42-P44 HydrophobicContact CD1-CG 4.42Å; Y42-P44 HydrophobicContact CE1-CB 4.4Å; Y42-P44 HydrophobicContact CE1-CG 3.68Å; Y42-Q72 PolarHBondContact OH-NE2 3.37Å
43	E	88.2	Confident	88	Confident	102 Å²	102	64.4 Å²	64.4	48%	0.477	32%	0.319	S	S	.	.			trans	-115.9	116.7	167.8	-62.3	-169.3	168.6	0	0	107.7	K41 T45	K41-E43 HydrophobicContact CD-CG 4.17Å; K41-E43 WeakPolarHBondContact CD-OE1 3.4Å; K41-E43 WeakPolarHBondContact CE-OE1 3.38Å; K41-E43 HydrophobicContact CG-CG 4.23Å; K41-E43 IonicContact NZ-OE1 3.22Å; K41-E43 PolarHBondContact NZ-OE1 3.3Å; K41-E43 PolarHBondContact O-N 3.23Å; E43-T45 PolarHBondContact O-N 3.27Å
44	P	88.8	Confident	88.2	Confident	48 Å²	48	65.5 Å²	65.5	31%	0.312	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.9	179	-19	28.3	0	0	0	111.1	Y42 I46 F75	Y42-P44 HydrophobicContact CD1-CG 4.42Å; Y42-P44 HydrophobicContact CE1-CB 4.4Å; Y42-P44 HydrophobicContact CE1-CG 3.68Å; P44-I46 PolarHBondContact O-N 2.98Å; P44-F75 HydrophobicContact CB-CD2 3.7Å; P44-F75 HydrophobicContact CB-CE2 3.6Å; P44-F75 HydrophobicContact CG-CE2 3.93Å
45	T	85.9	Confident	88.7	Confident	13 Å²	13	62.7 Å²	62.7	8%	0.08	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.4	134.1	168.4	-40.1	0	0	0	0	109.8	T27 E43 E49 D68 A70	T27-T45 PolarHBondContact OG1-OG1 2.94Å; E43-T45 PolarHBondContact O-N 3.27Å; T45-E49 HydrophobicContact CG2-CG 4.11Å; T45-D68 PolarHBondContact OG1-OD2 3.09Å; T45-A70 WeakPolarHBondContact O-CB 3.34Å
46	I	86.5	Confident	89.2	Confident	136 Å²	136	62.6 Å²	62.6	70%	0.697	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-102.6	117.4	174.3	-59.9	176.2	0	0	0	107.8	P44 V48	P44-I46 PolarHBondContact O-N 2.98Å; I46-V48 PolarHBondContact O-N 3.03Å; I46-V48 VanDerWaalsContact O-N 3.16Å
47	G	87.4	Confident	89.8	Confident	9 Å²	9	62.9 Å²	62.9	9%	0.093	31%	0.305	C	S	.	.	S	Bend	trans	67.8	-108.5	-176.8	0	0	0	0	0	112.5	A70 F75 Y82	G47-A70 WeakPolarHBondContact O-CB 3.48Å; G47-A70 PolarHBondContact O-N 2.59Å; G47-F75 PolarHBondContact N-O 2.84Å; G47-Y82 VanDerWaalsContact CA-OH 3.26Å; G47-Y82 WeakPolarHBondContact CA-OH 3.25Å
48	V	90.6	Very high	90.5	Very high	25 Å²	25	59.7 Å²	59.7	15%	0.152	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.4	179.6	68.9	0	0	0	0	111.4	L3 I46 V50 W67 D68 T69 Y82	L3-V48 HydrophobicContact CD1-CG1 4.48Å; I46-V48 PolarHBondContact O-N 3.03Å; I46-V48 VanDerWaalsContact O-N 3.16Å; V48-V50 HydrophobicContact CG2-CG2 4.3Å; V48-W67 HydrophobicContact CG1-CE3 4.22Å; V48-W67 HydrophobicContact CG1-CZ3 4.32Å; V48-W67 HydrophobicContact CG2-CB 3.92Å; V48-W67 HydrophobicContact CG2-CD2 4.35Å; V48-W67 HydrophobicContact CG2-CE3 3.83Å; V48-W67 HydrophobicContact CG2-CG 4.45Å; V48-D68 VanDerWaalsContact CA-O 3.3Å; V48-D68 WeakPolarHBondContact CA-O 2.85Å; V48-D68 WeakPolarHBondContact CG2-O 3.42Å; V48-T69 HydrophobicContact CG2-CG2 4.31Å; V48-Y82 HydrophobicContact CB-CD1 3.89Å; V48-Y82 HydrophobicContact CB-CD2 4.15Å; V48-Y82 HydrophobicContact CB-CE1 3.87Å; V48-Y82 HydrophobicContact CB-CE2 4.12Å; V48-Y82 HydrophobicContact CB-CG 4.04Å; V48-Y82 HydrophobicContact CG1-CD1 3.5Å; V48-Y82 VanDerWaalsContact CG1-CD1 3.5Å; V48-Y82 HydrophobicContact CG1-CE1 3.31Å; V48-Y82 HydrophobicContact CG1-CE2 4.45Å; V48-Y82 HydrophobicContact CG1-CG 4.17Å
49	E	92	Very high	91	Very high	76 Å²	76	61.6 Å²	61.6	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142	163.8	-66.6	-177.4	-176.8	0	0	109.4	T45 H51 D68	T45-E49 HydrophobicContact CG2-CG 4.11Å; E49-H51 WeakPolarHBondContact CB-NE2 2.87Å; E49-H51 IonicContact OE2-CE1 3.24Å; E49-H51 PolarHBondContact OE2-CE1 3.44Å; E49-H51 IonicContact OE2-NE2 2.66Å; E49-H51 PolarHBondContact OE2-NE2 3.43Å; E49-D68 PolarHBondContact N-O 3.13Å; E49-D68 PolarHBondContact O-N 3.11Å
50	V	93.4	Very high	91.6	Very high	35 Å²	35	60.7 Å²	60.7	21%	0.212	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.7	177.7	-174.3	0	0	0	0	111.9	L3 V48 Y65 C66 W67	L3-V50 HydrophobicContact CD1-CB 4.02Å; L3-V50 HydrophobicContact CD1-CG2 3.26Å; V48-V50 HydrophobicContact CG2-CG2 4.3Å; V50-Y65 HydrophobicContact CG1-CD1 4.5Å; V50-C66 WeakPolarHBondContact CA-O 3.44Å; V50-W67 HydrophobicContact CG1-CG 4.45Å; V50-W67 HydrophobicContact CG2-CB 4.31Å; V50-W67 HydrophobicContact CG2-CD2 3.53Å; V50-W67 HydrophobicContact CG2-CE3 4.07Å; V50-W67 HydrophobicContact CG2-CG 3.65Å; V50-W67 HydrophobicContact CG2-CZ2 4.24Å
51	H	94	Very high	92.1	Very high	28 Å²	28	56.3 Å²	56.3	13%	0.13	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.5	-171.7	-65.2	-72.4	0	0	0	110.1	V30 L34 E49 L53 C66	V30-H51 HydrophobicContact CG1-CB 3.57Å; L34-H51 HydrophobicContact CD1-CB 3.52Å; L34-H51 VanDerWaalsContact CD1-CG 3.48Å; L34-H51 WeakPolarHBondContact CD1-ND1 3.39Å; L34-H51 HydrophobicContact CD2-CB 4.49Å; L34-H51 HydrophobicContact CG-CB 4.36Å; E49-H51 WeakPolarHBondContact CB-NE2 2.87Å; E49-H51 IonicContact OE2-CE1 3.24Å; E49-H51 PolarHBondContact OE2-CE1 3.44Å; E49-H51 IonicContact OE2-NE2 2.66Å; E49-H51 PolarHBondContact OE2-NE2 3.43Å; H51-L53 HydrophobicContact CB-CD2 4.17Å; H51-L53 PolarHBondContact O-N 2.79Å; H51-C66 PolarHBondContact N-O 3.17Å; H51-C66 PolarHBondContact O-N 2.73Å
52	P	94.2	Very high	92.5	Very high	57 Å²	57	50.2 Å²	50.2	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112.4	173.8	29.8	-31.3	0	0	0	110.3	L34 R63 Y65	L34-P52 VanDerWaalsContact CD2-O 3.29Å; L34-P52 WeakPolarHBondContact CD2-O 3.31Å; P52-R63 HydrophobicContact CB-CG 4.43Å; P52-Y65 HydrophobicContact CB-CD1 4.33Å; P52-Y65 HydrophobicContact CB-CE1 4.14Å
53	L	94.3	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.2	178.5	-48.9	-175.6	0	0	0	109.6	V30 H33 L34 H51 F55 R63 F64 C66 F164	V30-L53 HydrophobicContact CG1-CD1 4.43Å; V30-L53 HydrophobicContact CG1-CD2 4.25Å; H33-L53 HydrophobicContact CB-CD2 4.26Å; L34-L53 HydrophobicContact CD1-CD2 4.22Å; L34-L53 HydrophobicContact CD2-CD2 3.39Å; L34-L53 HydrophobicContact CG-CD2 3.47Å; L34-L53 VanDerWaalsContact CG-CD2 3.47Å; H51-L53 HydrophobicContact CB-CD2 4.17Å; H51-L53 PolarHBondContact O-N 2.79Å; L53-F55 HydrophobicContact CB-CE2 3.86Å; L53-R63 CarbonylContact O-C 3.57Å; L53-R63 WeakPolarHBondContact O-CA 3.05Å; L53-F64 HydrophobicContact CB-CB 4.37Å; L53-F64 PolarHBondContact N-O 2.83Å; L53-F64 PolarHBondContact O-N 2.75Å; L53-C66 HydrophobicContact CD1-CB 3.68Å; L53-C66 HydrophobicContact CG-CB 3.97Å; L53-F164 HydrophobicContact CD1-CE1 3.67Å; L53-F164 HydrophobicContact CD1-CZ 3.75Å
54	D	93.7	Very high	93.3	Very high	42 Å²	42	41.2 Å²	41.2	23%	0.225	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.3	176.5	-73.9	-34.5	0	0	0	111.6	Y11 H33 K61 I62 R63	Y11-D54 PolarHBondContact OH-OD1 3.14Å; Y11-D54 PolarHBondContact OH-OD2 3.24Å; H33-D54 PolarHBondContact NE2-O 2.76Å; D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 VanDerWaalsContact CG-NZ 3.28Å; D54-K61 WeakPolarHBondContact OD1-CE 3.33Å; D54-K61 IonicContact OD1-NZ 3.89Å; D54-K61 WeakPolarHBondContact OD2-CE 3.49Å; D54-K61 IonicContact OD2-NZ 2.68Å; D54-K61 PolarHBondContact OD2-NZ 3.03Å; D54-I62 WeakPolarHBondContact CA-O 3.49Å; D54-R63 WeakPolarHBondContact OD1-CB 3.36Å; D54-R63 IonicContact OD1-CZ 2.67Å; D54-R63 IonicContact OD1-NE 3.02Å; D54-R63 PolarHBondContact OD1-NE 2.71Å; D54-R63 IonicContact OD1-NH2 3.09Å; D54-R63 PolarHBondContact OD1-NH2 2.75Å; D54-R63 IonicContact OD2-CZ 2.71Å; D54-R63 IonicContact OD2-NE 3.43Å; D54-R63 IonicContact OD2-NH2 2.78Å; D54-R63 PolarHBondContact OD2-NH2 3.28Å
55	F	95	Very high	93.7	Very high	7 Å²	7	40 Å²	40	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.7	172.8	-64.5	-99.2	0	0	0	109.6	H33 L53 K61 I62 F64 F164 F179	H33-F55 AromaticContact CE1-CD1 3.88Å; H33-F55 AromaticContact CE1-CE1 3.18Å; H33-F55 WeakPolarHBondContact CE1-CE1 3.06Å; H33-F55 AromaticContact CE1-CE2 3.71Å; H33-F55 AromaticContact CE1-CZ 3.06Å; H33-F55 WeakPolarHBondContact CE1-CZ 3.28Å; H33-F55 AromaticContact ND1-CE1 3.85Å; H33-F55 AromaticContact ND1-CZ 3.59Å; H33-F55 AromaticContact NE2-CE2 3.76Å; H33-F55 AromaticContact NE2-CZ 3.59Å; L53-F55 HydrophobicContact CB-CE2 3.86Å; F55-K61 WeakPolarHBondContact O-CA 3.45Å; F55-I62 HydrophobicContact CB-CD1 4.36Å; F55-I62 HydrophobicContact CB-CG1 3.84Å; F55-I62 PolarHBondContact N-O 3.35Å; F55-I62 PolarHBondContact O-N 3.12Å; F55-F64 AromaticContact CD2-CD2 3.78Å; F55-F64 HydrophobicContact CD2-CD2 3.78Å; F55-F64 HydrophobicContact CD2-CE2 4.16Å; F55-F64 AromaticContact CE2-CD2 3.63Å; F55-F64 HydrophobicContact CE2-CD2 3.63Å; F55-F64 HydrophobicContact CE2-CE2 4.21Å; F55-F164 HydrophobicContact CD1-CB 4.49Å; F55-F164 HydrophobicContact CE1-CB 3.68Å; F55-F164 HydrophobicContact CE1-CD2 4.02Å; F55-F164 AromaticContact CE1-CG 3.86Å; F55-F164 HydrophobicContact CE1-CG 3.86Å; F55-F164 HydrophobicContact CE2-CB 4.2Å; F55-F164 AromaticContact CE2-CD1 3.88Å; F55-F164 HydrophobicContact CE2-CD1 3.88Å; F55-F164 HydrophobicContact CE2-CE1 4.38Å; F55-F164 HydrophobicContact CE2-CG 4.01Å; F55-F164 HydrophobicContact CZ-CB 3.52Å; F55-F164 AromaticContact CZ-CD1 3.57Å; F55-F164 HydrophobicContact CZ-CD1 3.57Å; F55-F164 AromaticContact CZ-CD2 3.58Å; F55-F164 HydrophobicContact CZ-CD2 3.58Å; F55-F164 HydrophobicContact CZ-CE1 4.09Å; F55-F164 HydrophobicContact CZ-CE2 4.09Å; F55-F164 AromaticContact CZ-CG 3.27Å; F55-F164 HydrophobicContact CZ-CG 3.27Å; F55-F164 HydrophobicContact CZ-CZ 4.33Å; F55-F179 HydrophobicContact CB-CD1 4.03Å; F55-F179 HydrophobicContact CB-CE1 3.67Å; F55-F179 HydrophobicContact CB-CZ 4.16Å; F55-F179 HydrophobicContact CD1-CD1 4.17Å; F55-F179 AromaticContact CD1-CD2 3.99Å; F55-F179 HydrophobicContact CD1-CD2 3.99Å; F55-F179 AromaticContact CD1-CE1 3.69Å; F55-F179 HydrophobicContact CD1-CE1 3.69Å; F55-F179 AromaticContact CD1-CE2 3.46Å; F55-F179 HydrophobicContact CD1-CE2 3.46Å; F55-F179 VanDerWaalsContact CD1-CE2 3.46Å; F55-F179 HydrophobicContact CD1-CG 4.33Å; F55-F179 AromaticContact CD1-CZ 3.29Å; F55-F179 HydrophobicContact CD1-CZ 3.29Å; F55-F179 HydrophobicContact CE1-CD2 4.49Å; F55-F179 AromaticContact CE1-CE2 3.74Å; F55-F179 HydrophobicContact CE1-CE2 3.74Å; F55-F179 AromaticContact CE1-CZ 3.81Å; F55-F179 HydrophobicContact CE1-CZ 3.81Å; F55-F179 AromaticContact CG-CE1 3.9Å; F55-F179 HydrophobicContact CG-CE1 3.9Å; F55-F179 HydrophobicContact CG-CE2 4.43Å; F55-F179 AromaticContact CG-CZ 3.85Å; F55-F179 HydrophobicContact CG-CZ 3.85Å
56	F	95.6	Very high	94.1	Very high	84 Å²	84	39.4 Å²	39.4	37%	0.368	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120	174.3	-64.3	-88.3	0	0	0	109	K61 F179 V180 E181	F56-K61 HydrophobicContact CD1-CB 4.39Å; F56-K61 HydrophobicContact CD1-CG 4.26Å; F56-K61 HydrophobicContact CE1-CB 4.47Å; F56-K61 HydrophobicContact CE1-CD 3.89Å; F56-K61 HydrophobicContact CE1-CG 4.11Å; F56-K61 HydrophobicContact CZ-CD 4.16Å; F56-F179 CarbonylContact O-C 3.49Å; F56-F179 VanDerWaalsContact O-CA 3.27Å; F56-F179 WeakPolarHBondContact O-CA 3.33Å; F56-V180 HydrophobicContact CB-CG2 3.82Å; F56-V180 WeakPolarHBondContact O-CG2 3.1Å; F56-V180 PolarHBondContact O-N 2.88Å; F56-E181 HydrophobicContact CB-CB 4.29Å; F56-E181 HydrophobicContact CB-CG 4.37Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.41Å
57	T	96.8	Very high	94.6	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	166.7	179.9	81.3	0	0	0	0	110.6	C59 G60 I62 L177 H178 F179	T57-C59 PolarHBondContact O-N 2.83Å; T57-C59 VanDerWaalsContact O-N 3.13Å; T57-C59 PolarHBondContact OG1-N 2.66Å; T57-G60 WeakPolarHBondContact CA-O 3.2Å; T57-G60 WeakPolarHBondContact CB-O 3.31Å; T57-G60 PolarHBondContact N-O 3.42Å; T57-G60 PolarHBondContact O-N 2.9Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.2Å; T57-G60 PolarHBondContact OG1-O 2.88Å; T57-I62 HydrophobicContact CG2-CD1 3.98Å; T57-I62 HydrophobicContact CG2-CG1 3.99Å; T57-I62 HydrophobicContact CG2-CG2 4.24Å; T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.92Å; T57-L177 HydrophobicContact CG2-CG 4.18Å; T57-H178 CarbonylContact C-O 3.57Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.14Å; T57-F179 HydrophobicContact CG2-CD1 4.03Å; T57-F179 HydrophobicContact CG2-CE1 4.2Å
58	N	96.9	Very high	94.9	Very high	68 Å²	68	33 Å²	33	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.3	169.8	65.3	-55.4	0	0	0	113.9	L177 H178 V180	N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.36Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.42Å; N58-H178 VanDerWaalsContact CG-CE1 3.48Å; N58-H178 PolarHBondContact N-O 2.9Å; N58-H178 VanDerWaalsContact N-O 3.08Å; N58-H178 PolarHBondContact OD1-N 2.96Å; N58-H178 PolarHBondContact OD1-O 2.91Å; N58-V180 HydrophobicContact CB-CG1 4.01Å
59	C	94.4	Very high	95	Very high	87 Å²	87	32 Å²	32	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	11.9	177.5	-58.5	0	0	0	0	112.4	T57	T57-C59 PolarHBondContact O-N 2.83Å; T57-C59 VanDerWaalsContact O-N 3.13Å; T57-C59 PolarHBondContact OG1-N 2.66Å
60	G	95.6	Very high	94.8	Very high	39 Å²	39	28.4 Å²	28.4	40%	0.402	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	106.7	-174.1	-177.5	0	0	0	0	0	113.7	T57	T57-G60 WeakPolarHBondContact CA-O 3.2Å; T57-G60 WeakPolarHBondContact CB-O 3.31Å; T57-G60 PolarHBondContact N-O 3.42Å; T57-G60 PolarHBondContact O-N 2.9Å; T57-G60 VanDerWaalsContact O-N 3.09Å; T57-G60 PolarHBondContact OG1-N 3.2Å; T57-G60 PolarHBondContact OG1-O 2.88Å
61	K	95.5	Very high	94	Very high	59 Å²	59	27.3 Å²	27.3	26%	0.257	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.7	-176	-166	178.1	-178.3	-166.8	0	111.2	Y11 D54 F55 F56	Y11-K61 HydrophobicContact CD1-CD 4.38Å; Y11-K61 HydrophobicContact CD2-CB 4.12Å; Y11-K61 HydrophobicContact CD2-CD 4.39Å; Y11-K61 HydrophobicContact CD2-CG 4.06Å; Y11-K61 WeakPolarHBondContact CD2-O 3.26Å; Y11-K61 HydrophobicContact CE1-CD 3.88Å; Y11-K61 HydrophobicContact CE2-CB 4.31Å; Y11-K61 HydrophobicContact CE2-CD 3.83Å; Y11-K61 HydrophobicContact CE2-CG 3.74Å; Y11-K61 HydrophobicContact CG-CB 4.31Å; Y11-K61 VanDerWaalsContact OH-CE 3.24Å; Y11-K61 WeakPolarHBondContact OH-CE 3.42Å; Y11-K61 PolarHBondContact OH-NZ 3.36Å; D54-K61 VanDerWaalsContact CB-CE 3.42Å; D54-K61 VanDerWaalsContact CG-NZ 3.28Å; D54-K61 WeakPolarHBondContact OD1-CE 3.33Å; D54-K61 IonicContact OD1-NZ 3.89Å; D54-K61 WeakPolarHBondContact OD2-CE 3.49Å; D54-K61 IonicContact OD2-NZ 2.68Å; D54-K61 PolarHBondContact OD2-NZ 3.03Å; F55-K61 WeakPolarHBondContact O-CA 3.45Å; F56-K61 HydrophobicContact CD1-CB 4.39Å; F56-K61 HydrophobicContact CD1-CG 4.26Å; F56-K61 HydrophobicContact CE1-CB 4.47Å; F56-K61 HydrophobicContact CE1-CD 3.89Å; F56-K61 HydrophobicContact CE1-CG 4.11Å; F56-K61 HydrophobicContact CZ-CD 4.16Å
62	I	95.9	Very high	93.2	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.4	169.7	67.4	173.6	0	0	0	110.2	P12 D54 F55 T57 F64 A168 F179	P12-I62 HydrophobicContact CB-CG2 4.33Å; P12-I62 WeakPolarHBondContact O-CA 3.36Å; D54-I62 WeakPolarHBondContact CA-O 3.49Å; F55-I62 HydrophobicContact CB-CD1 4.36Å; F55-I62 HydrophobicContact CB-CG1 3.84Å; F55-I62 PolarHBondContact N-O 3.35Å; F55-I62 PolarHBondContact O-N 3.12Å; T57-I62 HydrophobicContact CG2-CD1 3.98Å; T57-I62 HydrophobicContact CG2-CG1 3.99Å; T57-I62 HydrophobicContact CG2-CG2 4.24Å; I62-F64 HydrophobicContact CD1-CE2 4.04Å; I62-F64 HydrophobicContact CD1-CZ 4.41Å; I62-A168 HydrophobicContact CD1-CB 3.42Å; I62-A168 VanDerWaalsContact CD1-CB 3.42Å; I62-F179 HydrophobicContact CD1-CE1 4.46Å
63	R	95.7	Very high	92.3	Very high	30 Å²	30	33.4 Å²	33.4	11%	0.113	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.7	173.8	177.6	167.9	-73.5	-176.3	-3.1	112.1	Y11 P12 S13 F14 P52 L53 D54 Y65	Y11-R63 HydrophobicContact CE2-CB 3.71Å; Y11-R63 VanDerWaalsContact OH-CZ 3.31Å; Y11-R63 PolarHBondContact OH-NE 3.06Å; Y11-R63 PolarHBondContact OH-NH2 2.97Å; Y11-R63 VanDerWaalsContact OH-NH2 3.13Å; P12-R63 PolarHBondContact O-N 2.89Å; S13-R63 CarbonylContact C-O 3.56Å; S13-R63 WeakPolarHBondContact CA-O 3.34Å; F14-R63 PolarHBondContact N-O 3.16Å; P52-R63 HydrophobicContact CB-CG 4.43Å; L53-R63 CarbonylContact O-C 3.57Å; L53-R63 WeakPolarHBondContact O-CA 3.05Å; D54-R63 WeakPolarHBondContact OD1-CB 3.36Å; D54-R63 IonicContact OD1-CZ 2.67Å; D54-R63 IonicContact OD1-NE 3.02Å; D54-R63 PolarHBondContact OD1-NE 2.71Å; D54-R63 IonicContact OD1-NH2 3.09Å; D54-R63 PolarHBondContact OD1-NH2 2.75Å; D54-R63 IonicContact OD2-CZ 2.71Å; D54-R63 IonicContact OD2-NE 3.43Å; D54-R63 IonicContact OD2-NH2 2.78Å; D54-R63 PolarHBondContact OD2-NH2 3.28Å; R63-Y65 VanDerWaalsContact CD-CZ 3.43Å; R63-Y65 WeakPolarHBondContact CD-OH 3.48Å; R63-Y65 HydrophobicContact CG-CE1 4.42Å; R63-Y65 HydrophobicContact CG-CE2 4.32Å
64	F	96.9	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.8	159.7	-67.6	-75.2	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 4.1Å; F14-F64 HydrophobicContact CD2-CE1 4.28Å; F14-F64 CarbonylContact O-C 3.52Å; F14-F64 WeakPolarHBondContact O-CA 3.4Å; L16-F64 HydrophobicContact CB-CB 4.08Å; L16-F64 HydrophobicContact CB-CD1 3.91Å; L16-F64 HydrophobicContact CB-CG 4.34Å; L16-F64 HydrophobicContact CD2-CB 4.23Å; L16-F64 HydrophobicContact CD2-CD1 4.45Å; L16-F64 HydrophobicContact CD2-CG 4.35Å; L53-F64 HydrophobicContact CB-CB 4.37Å; L53-F64 PolarHBondContact N-O 2.83Å; L53-F64 PolarHBondContact O-N 2.75Å; F55-F64 AromaticContact CD2-CD2 3.78Å; F55-F64 HydrophobicContact CD2-CD2 3.78Å; F55-F64 HydrophobicContact CD2-CE2 4.16Å; F55-F64 AromaticContact CE2-CD2 3.63Å; F55-F64 HydrophobicContact CE2-CD2 3.63Å; F55-F64 HydrophobicContact CE2-CE2 4.21Å; I62-F64 HydrophobicContact CD1-CE2 4.04Å; I62-F64 HydrophobicContact CD1-CZ 4.41Å; F64-C66 PolarHBondContact O-N 3.47Å; F64-F164 AromaticContact CD2-CD1 4Å; F64-F164 HydrophobicContact CD2-CD1 4Å; F64-F164 HydrophobicContact CE2-CB 4.34Å; F64-F164 HydrophobicContact CE2-CD1 4.24Å; F64-L167 HydrophobicContact CE1-CB 4.29Å; F64-L167 HydrophobicContact CZ-CB 4.06Å; F64-A168 HydrophobicContact CZ-CB 4.26Å; F64-L171 HydrophobicContact CE1-CD1 3.63Å; F64-L171 HydrophobicContact CZ-CD1 4.23Å
65	Y	96.6	Very high	90.3	Very high	22 Å²	22	41.9 Å²	41.9	9%	0.086	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	96.9	159	-69.3	-70.9	0	0	0	106.9	Q6 Q7 F14 L16 V50 P52 R63 W67	Q6-Y65 HydrophobicContact CG-CD1 4.44Å; Q7-Y65 PolarHBondContact O-OH 3.32Å; F14-Y65 PolarHBondContact O-N 2.89Å; L16-Y65 PolarHBondContact N-O 2.86Å; V50-Y65 HydrophobicContact CG1-CD1 4.5Å; P52-Y65 HydrophobicContact CB-CD1 4.33Å; P52-Y65 HydrophobicContact CB-CE1 4.14Å; R63-Y65 VanDerWaalsContact CD-CZ 3.43Å; R63-Y65 WeakPolarHBondContact CD-OH 3.48Å; R63-Y65 HydrophobicContact CG-CE1 4.42Å; R63-Y65 HydrophobicContact CG-CE2 4.32Å; Y65-W67 PolarHBondContact O-N 3.37Å
66	C	96.3	Very high	88.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	112.5	-177.7	-168.6	0	0	0	0	110.2	L16 V30 V50 H51 L53 F64 D68	L16-C66 HydrophobicContact CD2-CB 4.24Å; L16-C66 CarbonylContact O-C 3.49Å; L16-C66 WeakPolarHBondContact O-CA 3.33Å; V30-C66 HydrophobicContact CG1-CB 4.36Å; V30-C66 WeakPolarHBondContact CG2-SG 3.47Å; V50-C66 WeakPolarHBondContact CA-O 3.44Å; H51-C66 PolarHBondContact N-O 3.17Å; H51-C66 PolarHBondContact O-N 2.73Å; L53-C66 HydrophobicContact CD1-CB 3.68Å; L53-C66 HydrophobicContact CG-CB 3.97Å; F64-C66 PolarHBondContact O-N 3.47Å; C66-D68 PolarHBondContact O-N 2.92Å
67	W	95.5	Very high	87.4	Confident	10 Å²	10	40.9 Å²	40.9	4%	0.038	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	93.4	175.1	-71.6	56.7	0	0	0	108.5	L3 K15 L16 I18 V48 V50 Y65 T69 Y82	L3-W67 HydrophobicContact CD1-CH2 4.12Å; L3-W67 HydrophobicContact CD1-CZ2 4.39Å; L3-W67 HydrophobicContact CD1-CZ3 4.35Å; L3-W67 HydrophobicContact CG-CH2 3.77Å; L3-W67 HydrophobicContact CG-CZ2 4.23Å; L3-W67 HydrophobicContact CG-CZ3 4.31Å; K15-W67 HydrophobicContact CD-CD2 4.41Å; K15-W67 HydrophobicContact CD-CZ2 4.33Å; K15-W67 VanDerWaalsContact CE-CE2 3.5Å; K15-W67 HydrophobicContact CG-CG 4.41Å; L16-W67 PolarHBondContact O-N 3.19Å; I18-W67 WeakPolarHBondContact CG2-O 3.32Å; I18-W67 PolarHBondContact N-O 2.77Å; I18-W67 VanDerWaalsContact N-O 3.08Å; V48-W67 HydrophobicContact CG1-CE3 4.22Å; V48-W67 HydrophobicContact CG1-CZ3 4.32Å; V48-W67 HydrophobicContact CG2-CB 3.92Å; V48-W67 HydrophobicContact CG2-CD2 4.35Å; V48-W67 HydrophobicContact CG2-CE3 3.83Å; V48-W67 HydrophobicContact CG2-CG 4.45Å; V50-W67 HydrophobicContact CG1-CG 4.45Å; V50-W67 HydrophobicContact CG2-CB 4.31Å; V50-W67 HydrophobicContact CG2-CD2 3.53Å; V50-W67 HydrophobicContact CG2-CE3 4.07Å; V50-W67 HydrophobicContact CG2-CG 3.65Å; V50-W67 HydrophobicContact CG2-CZ2 4.24Å; Y65-W67 PolarHBondContact O-N 3.37Å; W67-T69 PolarHBondContact O-N 2.68Å; W67-Y82 HydrophobicContact CE3-CD1 4.38Å; W67-Y82 HydrophobicContact CZ3-CD1 4.16Å
68	D	94.6	Very high	86.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	104.9	174.3	-176.8	35.5	0	0	0	110.7	I18 K26 T27 T45 V48 E49 C66	I18-D68 VanDerWaalsContact CG2-CA 3.48Å; I18-D68 HydrophobicContact CG2-CB 4.08Å; K26-D68 WeakPolarHBondContact CB-OD1 3.37Å; T27-D68 VanDerWaalsContact CA-OD2 3.27Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.46Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.27Å; T27-D68 PolarHBondContact OG1-OD2 3.3Å; T45-D68 PolarHBondContact OG1-OD2 3.09Å; V48-D68 VanDerWaalsContact CA-O 3.3Å; V48-D68 WeakPolarHBondContact CA-O 2.85Å; V48-D68 WeakPolarHBondContact CG2-O 3.42Å; E49-D68 PolarHBondContact N-O 3.13Å; E49-D68 PolarHBondContact O-N 3.11Å; C66-D68 PolarHBondContact O-N 2.92Å
69	T	92	Very high	85.2	Confident	4 Å²	4	46 Å²	46	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	148.6	-174.8	68.1	0	0	0	0	112.9	V17 I18 V19 K26 V48 W67 G71 Y82	V17-T69 HydrophobicContact CG1-CG2 4.31Å; I18-T69 PolarHBondContact O-N 3.19Å; I18-T69 PolarHBondContact O-OG1 2.81Å; V19-T69 HydrophobicContact CG1-CG2 4.37Å; K26-T69 WeakPolarHBondContact CE-O 3.39Å; V48-T69 HydrophobicContact CG2-CG2 4.31Å; W67-T69 PolarHBondContact O-N 2.68Å; T69-G71 PolarHBondContact O-N 3.46Å; T69-Y82 HydrophobicContact CG2-CD2 4.45Å
70	A	87.9	Confident	84.6	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.017	24%	0.24	C	C	.	.			trans	-62.2	118.2	171.4	0	0	0	0	0	112.2	T45 G47 F75	T45-A70 WeakPolarHBondContact O-CB 3.34Å; G47-A70 WeakPolarHBondContact O-CB 3.48Å; G47-A70 PolarHBondContact O-N 2.59Å; A70-F75 HydrophobicContact CB-CB 3.87Å; A70-F75 WeakPolarHBondContact CB-O 3.05Å
71	G	77.7	Confident	84.2	Confident	11 Å²	11	44.6 Å²	44.6	11%	0.113	24%	0.238	C	C	.	.			trans	-80	-11.8	178.9	0	0	0	0	0	115.1	G20 G22 T69	G20-G71 WeakPolarHBondContact O-CA 3.26Å; G22-G71 VanDerWaalsContact N-C 3.3Å; G22-G71 PolarHBondContact N-O 3.43Å; G22-G71 VanDerWaalsContact N-O 3.1Å; T69-G71 PolarHBondContact O-N 3.46Å
72	Q	77.2	Confident	84	Confident	53 Å²	53	44 Å²	44	25%	0.248	23%	0.234	C	C	.	.	S	Bend	trans	-96.7	135.3	176.9	-58.9	-171.4	3.9	0	0	109.7	Y42 K74 F75 G76 R79	Y42-Q72 PolarHBondContact OH-NE2 3.37Å; Q72-K74 VanDerWaalsContact C-N 3.31Å; Q72-K74 HydrophobicContact CB-CG 4.22Å; Q72-K74 PolarHBondContact O-N 3.02Å; Q72-F75 HydrophobicContact CB-CD2 3.74Å; Q72-F75 HydrophobicContact CB-CE2 4.45Å; Q72-F75 HydrophobicContact CB-CG 4.45Å; Q72-F75 HydrophobicContact CG-CD2 4.21Å; Q72-F75 CarbonylContact O-C 3.6Å; Q72-F75 PolarHBondContact O-N 3.18Å; Q72-G76 PolarHBondContact O-N 2.63Å; Q72-R79 PolarHBondContact O-NH2 2.82Å
73	E	73.4	Confident	83.8	Confident	160 Å²	160	43.4 Å²	43.4	75%	0.748	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-57.4	-44.8	-176.7	-62.7	-170.2	159.5	0	0	112.2	F75 G76 R79	E73-F75 PolarHBondContact O-N 3.06Å; E73-G76 PolarHBondContact O-N 2.98Å; E73-R79 VanDerWaalsContact CA-NH2 3.25Å; E73-R79 VanDerWaalsContact N-NH2 3.18Å
74	K	75.2	Confident	83.6	Confident	161 Å²	161	45.6 Å²	45.6	70%	0.7	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-58.7	-19.8	176.6	62.3	174.7	175.4	175	0	114.9	Q72	Q72-K74 VanDerWaalsContact C-N 3.31Å; Q72-K74 HydrophobicContact CB-CG 4.22Å; Q72-K74 PolarHBondContact O-N 3.02Å
75	F	71.8	Confident	83.5	Confident	59 Å²	59	52.6 Å²	52.6	26%	0.259	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-110.7	-0.8	179.5	-58.3	-43.9	0	0	0	112.7	P44 G47 A70 Q72 E73 G77	P44-F75 HydrophobicContact CB-CD2 3.7Å; P44-F75 HydrophobicContact CB-CE2 3.6Å; P44-F75 HydrophobicContact CG-CE2 3.93Å; G47-F75 PolarHBondContact N-O 2.84Å; A70-F75 HydrophobicContact CB-CB 3.87Å; A70-F75 WeakPolarHBondContact CB-O 3.05Å; Q72-F75 HydrophobicContact CB-CD2 3.74Å; Q72-F75 HydrophobicContact CB-CE2 4.45Å; Q72-F75 HydrophobicContact CB-CG 4.45Å; Q72-F75 HydrophobicContact CG-CD2 4.21Å; Q72-F75 CarbonylContact O-C 3.6Å; Q72-F75 PolarHBondContact O-N 3.18Å; E73-F75 PolarHBondContact O-N 3.06Å; F75-G77 PolarHBondContact O-N 2.72Å
76	G	60.7	Low	83.4	Confident	2 Å²	2	52 Å²	52	2%	0.021	28%	0.277	C	S	.	.			trans	-71.8	-25.4	-172.3	0	0	0	0	0	115.1	Q72 E73 L78 R79 Y82	Q72-G76 PolarHBondContact O-N 2.63Å; E73-G76 PolarHBondContact O-N 2.98Å; G76-L78 PolarHBondContact O-N 3.13Å; G76-R79 VanDerWaalsContact O-CG 3.32Å; G76-R79 WeakPolarHBondContact O-CG 3.27Å; G76-R79 PolarHBondContact O-N 3.03Å; G76-Y82 WeakPolarHBondContact O-CE2 3.38Å
77	G	69.3	Low	83.5	Confident	68 Å²	68	55.8 Å²	55.8	70%	0.701	29%	0.294	S	S	*	.	S	Bend	trans	49.8	-133.8	-177.1	0	0	0	0	0	112.9	F75 R79	F75-G77 PolarHBondContact O-N 2.72Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 2.91Å
78	L	71	Confident	83.6	Confident	141 Å²	141	55.3 Å²	55.3	74%	0.738	29%	0.293	S	S	*	.	S	Bend	trans	-79.3	63.4	177.4	-65.2	169.8	0	0	0	111.7	G76 D80 G81 Y82	G76-L78 PolarHBondContact O-N 3.13Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.2Å; L78-G81 WeakPolarHBondContact O-CA 3.37Å; L78-G81 PolarHBondContact O-N 3.07Å; L78-Y82 PolarHBondContact O-N 3.11Å
79	R	76.3	Confident	83.8	Confident	44 Å²	44	55.3 Å²	55.3	17%	0.166	29%	0.293	C	S	.	.	H	α-helix	trans	-46.9	-51.8	-175.5	-74.2	-174.5	168.4	-179.9	-5.3	113.6	Q72 E73 G76 G77 G81 Y82 W107	Q72-R79 PolarHBondContact O-NH2 2.82Å; E73-R79 VanDerWaalsContact CA-NH2 3.25Å; E73-R79 VanDerWaalsContact N-NH2 3.18Å; G76-R79 VanDerWaalsContact O-CG 3.32Å; G76-R79 WeakPolarHBondContact O-CG 3.27Å; G76-R79 PolarHBondContact O-N 3.03Å; G77-R79 VanDerWaalsContact C-N 3.25Å; G77-R79 PolarHBondContact O-N 2.91Å; R79-G81 PolarHBondContact O-N 2.86Å; R79-Y82 WeakPolarHBondContact O-CB 3.22Å; R79-Y82 PolarHBondContact O-N 2.96Å; R79-W107 VanDerWaalsContact CZ-CH2 3.46Å
80	D	81.5	Confident	84.1	Confident	61 Å²	61	55.1 Å²	55.1	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-34.1	180	-66.6	3.2	0	0	0	112	L78 Y82 Y83 I84 R113 V114	L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.2Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.99Å; D80-Y83 PolarHBondContact O-N 3.07Å; D80-Y83 VanDerWaalsContact O-N 3.11Å; D80-I84 PolarHBondContact O-N 3.22Å; D80-R113 IonicContact OD2-NH1 3.65Å; D80-V114 HydrophobicContact CB-CG2 4.02Å
81	G	87.6	Confident	84.6	Confident	35 Å²	35	55 Å²	55	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-31.9	177	0	0	0	0	0	113.3	L78 R79 Y83	L78-G81 WeakPolarHBondContact O-CA 3.37Å; L78-G81 PolarHBondContact O-N 3.07Å; R79-G81 PolarHBondContact O-N 2.86Å; G81-Y83 VanDerWaalsContact C-N 3.3Å
82	Y	90.2	Very high	85.6	Confident	46 Å²	46	54.6 Å²	54.6	18%	0.18	29%	0.286	C	S	.	.	H	α-helix	trans	-71.6	-26.3	175.7	-56.3	-38.1	0	0	0	112.4	K15 G47 V48 W67 T69 G76 L78 R79 D80	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.36Å; K15-Y82 PolarHBondContact NZ-O 3Å; G47-Y82 VanDerWaalsContact CA-OH 3.26Å; G47-Y82 WeakPolarHBondContact CA-OH 3.25Å; V48-Y82 HydrophobicContact CB-CD1 3.89Å; V48-Y82 HydrophobicContact CB-CD2 4.15Å; V48-Y82 HydrophobicContact CB-CE1 3.87Å; V48-Y82 HydrophobicContact CB-CE2 4.12Å; V48-Y82 HydrophobicContact CB-CG 4.04Å; V48-Y82 HydrophobicContact CG1-CD1 3.5Å; V48-Y82 VanDerWaalsContact CG1-CD1 3.5Å; V48-Y82 HydrophobicContact CG1-CE1 3.31Å; V48-Y82 HydrophobicContact CG1-CE2 4.45Å; V48-Y82 HydrophobicContact CG1-CG 4.17Å; W67-Y82 HydrophobicContact CE3-CD1 4.38Å; W67-Y82 HydrophobicContact CZ3-CD1 4.16Å; T69-Y82 HydrophobicContact CG2-CD2 4.45Å; G76-Y82 WeakPolarHBondContact O-CE2 3.38Å; L78-Y82 PolarHBondContact O-N 3.11Å; R79-Y82 WeakPolarHBondContact O-CB 3.22Å; R79-Y82 PolarHBondContact O-N 2.96Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.99Å
83	Y	92.6	Very high	86.6	Confident	2 Å²	2	52 Å²	52	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-77.9	-28.6	-179.6	-54.6	-22.3	0	0	0	112.7	V17 V19 D80 G81 H85 G86 D110 L111 V114 C115	V17-Y83 HydrophobicContact CG1-CD1 3.68Å; V17-Y83 HydrophobicContact CG1-CE1 3.95Å; V19-Y83 HydrophobicContact CG1-CD1 4.46Å; V19-Y83 HydrophobicContact CG1-CE1 3.46Å; V19-Y83 VanDerWaalsContact CG1-CE1 3.46Å; D80-Y83 PolarHBondContact O-N 3.07Å; D80-Y83 VanDerWaalsContact O-N 3.11Å; G81-Y83 VanDerWaalsContact C-N 3.3Å; Y83-H85 PolarHBondContact O-N 2.95Å; Y83-G86 WeakPolarHBondContact O-CA 3.45Å; Y83-G86 PolarHBondContact O-N 3.1Å; Y83-D110 HydrophobicContact CE2-CB 4.21Å; Y83-L111 HydrophobicContact CD1-CD1 4.11Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; Y83-V114 HydrophobicContact CD2-CB 4.33Å; Y83-V114 HydrophobicContact CD2-CG2 4.03Å; Y83-C115 PolarHBondContact O-SG 2.99Å
84	I	92.4	Very high	87.8	Confident	75 Å²	75	44.9 Å²	44.9	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	126.8	-175.2	-62.8	169.3	0	0	0	111.8	K15 D80 G86 V114	K15-I84 PolarHBondContact NZ-O 3.08Å; D80-I84 PolarHBondContact O-N 3.22Å; I84-G86 VanDerWaalsContact C-N 3.27Å; I84-G86 PolarHBondContact O-N 3.21Å; I84-V114 HydrophobicContact CB-CG1 4.49Å; I84-V114 HydrophobicContact CG1-CG1 3.94Å
85	H	93.2	Very high	88.9	Confident	148 Å²	148	37.2 Å²	37.2	69%	0.685	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	21.3	-175	-46.6	-58.7	0	0	0	115.5	Y83 Q87	Y83-H85 PolarHBondContact O-N 2.95Å; H85-Q87 PolarHBondContact O-N 3.33Å
86	G	95.9	Very high	90.1	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	21%	0.205	C	C	.	.			trans	-56.6	135	166.6	0	0	0	0	0	110.1	Y83 I84 I118	Y83-G86 WeakPolarHBondContact O-CA 3.45Å; Y83-G86 PolarHBondContact O-N 3.1Å; I84-G86 VanDerWaalsContact C-N 3.27Å; I84-G86 PolarHBondContact O-N 3.21Å; G86-I118 WeakPolarHBondContact O-CG2 3.18Å
87	Q	97.6	Very high	91.8	Very high	82 Å²	82	37.5 Å²	37.5	38%	0.383	22%	0.217	S	C	.	.			trans	-106.3	-22.3	179.1	-68.9	169.1	-83.9	0	0	111.6	F14 K15 H85 I118 P119 L171	F14-Q87 VanDerWaalsContact CA-OE1 3.29Å; K15-Q87 PolarHBondContact O-N 3.04Å; H85-Q87 PolarHBondContact O-N 3.33Å; Q87-I118 WeakPolarHBondContact O-CB 3.33Å; Q87-P119 WeakPolarHBondContact O-CD 3.14Å; Q87-L171 HydrophobicContact CB-CD2 4.35Å
88	C	98.5	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.5	173.3	56.6	0	0	0	0	110.1	K15 L16 V17 P119 L167 L171	K15-C88 PolarHBondContact O-N 3.25Å; L16-C88 WeakPolarHBondContact CA-O 3.44Å; L16-C88 HydrophobicContact CD1-CB 4.46Å; V17-C88 PolarHBondContact N-O 3.4Å; C88-P119 CarbonylContact C-O 3.59Å; C88-P119 VanDerWaalsContact CA-O 3.27Å; C88-P119 WeakPolarHBondContact CA-O 3.17Å; C88-P119 WeakPolarHBondContact CB-O 3.05Å; C88-L167 HydrophobicContact CB-CD1 4.14Å; C88-L167 HydrophobicContact CB-CD2 3.81Å; C88-L167 HydrophobicContact CB-CG 4.39Å; C88-L171 HydrophobicContact CB-CD1 4.01Å
89	A	98.4	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.5	177	0	0	0	0	0	114.7	V17 L111 I118 P119 I120 V121	V17-A89 HydrophobicContact CB-CB 4.39Å; V17-A89 CarbonylContact O-C 3.56Å; V17-A89 WeakPolarHBondContact O-CA 3.44Å; V17-A89 WeakPolarHBondContact O-CB 3.4Å; A89-L111 HydrophobicContact CB-CD1 4.22Å; A89-L111 HydrophobicContact CB-CD2 3.37Å; A89-L111 HydrophobicContact CB-CG 4.41Å; A89-I118 HydrophobicContact CB-CD1 4.05Å; A89-P119 PolarHBondContact N-O 3.02Å; A89-I120 HydrophobicContact CB-CG1 4.17Å; A89-I120 HydrophobicContact CB-CG2 4.5Å; A89-I120 WeakPolarHBondContact O-CA 3.49Å; A89-V121 PolarHBondContact O-N 3.04Å
90	I	98.6	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.1	164.6	-68.5	168.4	0	0	0	107.9	L16 V17 I18 V19 F29 V121 C123 P163 F164 L167	L16-I90 HydrophobicContact CD1-CD1 4.32Å; L16-I90 HydrophobicContact CD1-CG1 4.12Å; L16-I90 HydrophobicContact CD2-CD1 4.2Å; V17-I90 PolarHBondContact O-N 3.49Å; I18-I90 WeakPolarHBondContact CA-O 2.86Å; I18-I90 HydrophobicContact CB-CB 4.48Å; I18-I90 HydrophobicContact CD1-CB 4.44Å; I18-I90 HydrophobicContact CD1-CG2 4.2Å; I18-I90 HydrophobicContact CG1-CB 4.04Å; I18-I90 HydrophobicContact CG1-CG2 4.04Å; V19-I90 PolarHBondContact N-O 3.05Å; F29-I90 HydrophobicContact CE1-CD1 4.08Å; I90-V121 CarbonylContact C-O 3.54Å; I90-V121 WeakPolarHBondContact CA-O 3.39Å; I90-V121 HydrophobicContact CG1-CB 4.36Å; I90-C123 HydrophobicContact CG2-CB 4.21Å; I90-P163 HydrophobicContact CD1-CB 3.87Å; I90-P163 HydrophobicContact CG1-CB 4.36Å; I90-F164 HydrophobicContact CD1-CE1 4.43Å; I90-L167 HydrophobicContact CD1-CD1 4.4Å; I90-L167 HydrophobicContact CG1-CD1 4.04Å
91	I	98.2	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.9	167.9	-51.7	-179.8	0	0	0	107.2	V19 V104 W107 H108 I120 V121 L122 C123	V19-I91 HydrophobicContact CG2-CB 4.31Å; V19-I91 HydrophobicContact CG2-CG1 3.79Å; V19-I91 HydrophobicContact CG2-CG2 4.41Å; V19-I91 WeakPolarHBondContact O-CA 3.23Å; I91-V104 HydrophobicContact CG2-CG1 4.19Å; I91-V104 HydrophobicContact CG2-CG2 4.33Å; I91-W107 HydrophobicContact CG2-CB 4.11Å; I91-H108 HydrophobicContact CD1-CB 3.73Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.85Å; I91-V121 PolarHBondContact N-O 3.5Å; I91-L122 HydrophobicContact CB-CD1 4.15Å; I91-L122 HydrophobicContact CG2-CD1 4.18Å; I91-L122 CarbonylContact O-C 3.57Å; I91-L122 WeakPolarHBondContact O-CA 3.06Å; I91-C123 PolarHBondContact O-N 2.98Å
92	M	98.6	Very high	96.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.1	-176.1	-171.5	177.2	-69.2	0	0	111.8	I18 V19 G20 G25 K26 F29 C123 N125 I152	I18-M92 HydrophobicContact CD1-CE 3.96Å; V19-M92 PolarHBondContact O-N 3.25Å; G20-M92 WeakPolarHBondContact CA-O 3.18Å; G25-M92 VanDerWaalsContact C-SD 3.55Å; K26-M92 HydrophobicContact CG-CB 4.04Å; K26-M92 HydrophobicContact CG-SD 4.04Å; K26-M92 PolarHBondContact N-SD 3.08Å; F29-M92 HydrophobicContact CB-CE 3.85Å; F29-M92 HydrophobicContact CD1-CE 3.96Å; F29-M92 HydrophobicContact CG-CE 3.86Å; M92-C123 WeakPolarHBondContact CA-O 3.41Å; M92-C123 HydrophobicContact CG-CB 4.5Å; M92-N125 HydrophobicContact CG-CB 4Å; M92-N125 HydrophobicContact SD-CB 3.91Å; M92-I152 HydrophobicContact CE-CD1 3.9Å
93	F	98.6	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	169.1	166.4	73.7	-85.6	0	0	0	110.6	V95 Y101 V104 L122 C123 G124 N125 V134 V139 Y149	F93-V95 HydrophobicContact CE2-CG1 3.95Å; F93-V95 HydrophobicContact CZ-CG1 4.49Å; F93-Y101 AromaticContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CD2 4.01Å; F93-Y101 HydrophobicContact CD2-CG 4.31Å; F93-Y101 AromaticContact CE1-CD2 3.89Å; F93-Y101 HydrophobicContact CE1-CD2 3.89Å; F93-Y101 HydrophobicContact CE1-CE2 4.35Å; F93-Y101 AromaticContact CE2-CD2 3.95Å; F93-Y101 HydrophobicContact CE2-CD2 3.95Å; F93-Y101 HydrophobicContact CE2-CG 4.37Å; F93-Y101 HydrophobicContact CG-CD2 4.02Å; F93-Y101 AromaticContact CZ-CD2 3.88Å; F93-Y101 HydrophobicContact CZ-CD2 3.88Å; F93-Y101 HydrophobicContact CZ-CE2 4.43Å; F93-V104 HydrophobicContact CB-CG2 3.98Å; F93-V104 HydrophobicContact CD1-CG2 4.18Å; F93-V104 HydrophobicContact CG-CG2 4.36Å; F93-L122 HydrophobicContact CD1-CD1 3.82Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.07Å; F93-L122 HydrophobicContact CE1-CD2 4.15Å; F93-L122 HydrophobicContact CE1-CG 3.95Å; F93-C123 VanDerWaalsContact CD1-O 3.26Å; F93-C123 WeakPolarHBondContact CD1-O 3.34Å; F93-C123 PolarHBondContact N-O 2.91Å; F93-G124 VanDerWaalsContact CE1-CA 3.49Å; F93-G124 VanDerWaalsContact CZ-CA 3.46Å; F93-N125 PolarHBondContact O-N 3.09Å; F93-V134 HydrophobicContact CE2-CB 4.33Å; F93-V134 HydrophobicContact CE2-CG1 4.05Å; F93-V139 HydrophobicContact CE1-CG1 4.4Å; F93-V139 HydrophobicContact CZ-CG1 4.16Å; F93-V139 HydrophobicContact CZ-CG2 3.99Å; F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.84Å; F93-Y149 HydrophobicContact CZ-CE2 3.84Å
94	D	98	Very high	97.1	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.3	178.2	179.8	-13.7	0	0	0	109.5	T24 T96 A97 T100 K126	T24-D94 HydrophobicContact CG2-CB 4.29Å; D94-T96 PolarHBondContact O-N 2.78Å; D94-T96 WeakPolarHBondContact OD1-CA 3.23Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 3.29Å; D94-T96 PolarHBondContact OD1-OG1 3.19Å; D94-T96 PolarHBondContact OD2-OG1 3.11Å; D94-A97 HydrophobicContact CB-CB 4.18Å; D94-A97 PolarHBondContact O-N 3.12Å; D94-T100 HydrophobicContact CB-CG2 4.33Å; D94-T100 PolarHBondContact N-OG1 2.87Å; D94-T100 PolarHBondContact O-OG1 3.11Å; D94-K126 VanDerWaalsContact OD2-CD 3.31Å; D94-K126 WeakPolarHBondContact OD2-CD 3.5Å; D94-K126 WeakPolarHBondContact OD2-CE 3.31Å; D94-K126 IonicContact OD2-NZ 2.75Å; D94-K126 PolarHBondContact OD2-NZ 3.26Å
95	V	97.9	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.9	-178.9	-56.7	0	0	0	0	113	F93 N125 V127 R132 Q133 V134	F93-V95 HydrophobicContact CE2-CG1 3.95Å; F93-V95 HydrophobicContact CZ-CG1 4.49Å; V95-N125 WeakPolarHBondContact CG2-O 3.29Å; V95-N125 PolarHBondContact N-O 2.79Å; V95-V127 HydrophobicContact CG1-CG1 4.01Å; V95-V127 HydrophobicContact CG2-CG1 4.14Å; V95-R132 HydrophobicContact CB-CG 4.32Å; V95-R132 HydrophobicContact CG2-CG 4.35Å; V95-Q133 PolarHBondContact O-N 3.4Å; V95-V134 PolarHBondContact O-N 3.41Å
96	T	97.4	Very high	97.3	Very high	35 Å²	35	33.1 Å²	33.1	22%	0.215	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.5	177.7	74.8	0	0	0	0	113.3	D94 K126 V129 Q133	D94-T96 PolarHBondContact O-N 2.78Å; D94-T96 WeakPolarHBondContact OD1-CA 3.23Å; D94-T96 VanDerWaalsContact OD1-CB 3.31Å; D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 3.29Å; D94-T96 PolarHBondContact OD1-OG1 3.19Å; D94-T96 PolarHBondContact OD2-OG1 3.11Å; T96-K126 HydrophobicContact CG2-CB 4.45Å; T96-V129 HydrophobicContact CG2-CB 3.61Å; T96-V129 HydrophobicContact CG2-CG1 3.66Å; T96-V129 HydrophobicContact CG2-CG2 4.3Å; T96-Q133 WeakPolarHBondContact O-CB 3.38Å; T96-Q133 WeakPolarHBondContact O-CG 3.13Å
97	A	97	Very high	97.3	Very high	32 Å²	32	33.2 Å²	33.2	26%	0.264	17%	0.17	S	C	.	.			trans	-133.3	98.2	-176.3	0	0	0	0	0	111.8	D94 L99 T100	D94-A97 HydrophobicContact CB-CB 4.18Å; D94-A97 PolarHBondContact O-N 3.12Å; A97-L99 PolarHBondContact O-N 3.38Å; A97-L99 VanDerWaalsContact O-N 3.13Å; A97-T100 HydrophobicContact CB-CG2 3.81Å; A97-T100 WeakPolarHBondContact O-CB 3.4Å; A97-T100 PolarHBondContact O-N 3.05Å; A97-T100 PolarHBondContact O-OG1 3.28Å
98	R	96.6	Very high	97.2	Very high	103 Å²	103	30.4 Å²	30.4	39%	0.389	16%	0.157	S	C	.	.	H	α-helix	trans	-51.3	-40.8	-176.1	-60	-175.9	-177.4	176.7	7.2	113.7	T100 Y101 K102 Q133 V134 F220	R98-T100 PolarHBondContact O-N 3.49Å; R98-Y101 PolarHBondContact O-N 3.39Å; R98-Y101 VanDerWaalsContact O-N 3.1Å; R98-K102 PolarHBondContact O-N 3.42Å; R98-Q133 HydrophobicContact CG-CB 3.86Å; R98-Q133 PolarHBondContact NE-O 2.91Å; R98-V134 HydrophobicContact CG-CG2 4.43Å; R98-F220 HydrophobicContact CB-CD1 4.35Å; R98-F220 HydrophobicContact CB-CE1 4.49Å; R98-F220 HydrophobicContact CG-CD1 4.31Å; R98-F220 HydrophobicContact CG-CE1 4.4Å
99	L	96.2	Very high	96.9	Very high	109 Å²	109	37.6 Å²	37.6	57%	0.571	18%	0.184	S	C	*	.	H	α-helix	trans	-56.9	-38.2	-179.6	-176.2	60.8	0	0	0	112.1	A97 Y101 K102 N103	A97-L99 PolarHBondContact O-N 3.38Å; A97-L99 VanDerWaalsContact O-N 3.13Å; L99-Y101 VanDerWaalsContact C-N 3.28Å; L99-Y101 PolarHBondContact O-N 2.93Å; L99-K102 WeakPolarHBondContact O-CB 3.34Å; L99-K102 PolarHBondContact O-N 3.13Å; L99-N103 PolarHBondContact O-N 2.84Å; L99-N103 PolarHBondContact O-ND2 3.13Å
100	T	97.6	Very high	96.7	Very high	12 Å²	12	39 Å²	39	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-32.3	-179.1	70.1	0	0	0	0	112.5	D21 T24 D94 A97 R98	D21-T100 HydrophobicContact CB-CG2 3.84Å; D21-T100 WeakPolarHBondContact OD2-CA 3.17Å; T24-T100 HydrophobicContact CG2-CG2 3.86Å; D94-T100 HydrophobicContact CB-CG2 4.33Å; D94-T100 PolarHBondContact N-OG1 2.87Å; D94-T100 PolarHBondContact O-OG1 3.11Å; A97-T100 HydrophobicContact CB-CG2 3.81Å; A97-T100 WeakPolarHBondContact O-CB 3.4Å; A97-T100 PolarHBondContact O-N 3.05Å; A97-T100 PolarHBondContact O-OG1 3.28Å; R98-T100 PolarHBondContact O-N 3.49Å
101	Y	98	Very high	96.4	Very high	16 Å²	16	39 Å²	39	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-76.6	-40.6	172.6	-178.8	-107.9	0	0	0	111.6	F93 R98 L99 N103 V104 L122 V134 Q138 V139 T140 F141 F220	F93-Y101 AromaticContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD1-CD2 3.97Å; F93-Y101 HydrophobicContact CD2-CD2 4.01Å; F93-Y101 HydrophobicContact CD2-CG 4.31Å; F93-Y101 AromaticContact CE1-CD2 3.89Å; F93-Y101 HydrophobicContact CE1-CD2 3.89Å; F93-Y101 HydrophobicContact CE1-CE2 4.35Å; F93-Y101 AromaticContact CE2-CD2 3.95Å; F93-Y101 HydrophobicContact CE2-CD2 3.95Å; F93-Y101 HydrophobicContact CE2-CG 4.37Å; F93-Y101 HydrophobicContact CG-CD2 4.02Å; F93-Y101 AromaticContact CZ-CD2 3.88Å; F93-Y101 HydrophobicContact CZ-CD2 3.88Å; F93-Y101 HydrophobicContact CZ-CE2 4.43Å; R98-Y101 PolarHBondContact O-N 3.39Å; R98-Y101 VanDerWaalsContact O-N 3.1Å; L99-Y101 VanDerWaalsContact C-N 3.28Å; L99-Y101 PolarHBondContact O-N 2.93Å; Y101-N103 PolarHBondContact O-N 3.41Å; Y101-N103 VanDerWaalsContact O-N 3.16Å; Y101-V104 HydrophobicContact CD2-CG2 4.13Å; Y101-V104 VanDerWaalsContact O-CB 3.29Å; Y101-V104 WeakPolarHBondContact O-CB 3.45Å; Y101-V104 WeakPolarHBondContact O-CG2 3.26Å; Y101-V104 PolarHBondContact O-N 2.86Å; Y101-L122 HydrophobicContact CE2-CD2 4.43Å; Y101-V134 HydrophobicContact CD1-CG1 4.09Å; Y101-V134 HydrophobicContact CG-CG1 4.02Å; Y101-Q138 WeakPolarHBondContact CE1-O 3.35Å; Y101-Q138 PolarHBondContact OH-O 3.3Å; Y101-V139 HydrophobicContact CE2-CB 4.38Å; Y101-V139 HydrophobicContact CE2-CG1 3.8Å; Y101-V139 HydrophobicContact CE2-CG2 4.4Å; Y101-V139 WeakPolarHBondContact OH-CA 3.2Å; Y101-T140 PolarHBondContact OH-N 3.29Å; Y101-F141 HydrophobicContact CE2-CB 4.38Å; Y101-F141 WeakPolarHBondContact OH-CB 3.46Å; Y101-F141 PolarHBondContact OH-N 3.02Å; Y101-F141 VanDerWaalsContact OH-N 3.08Å; Y101-F220 AromaticContact CD1-CE2 4Å; Y101-F220 HydrophobicContact CD1-CE2 4Å; Y101-F220 AromaticContact CD1-CZ 3.76Å; Y101-F220 HydrophobicContact CD1-CZ 3.76Å; Y101-F220 HydrophobicContact CE1-CE2 4.39Å; Y101-F220 HydrophobicContact CE1-CZ 4.22Å
102	K	96.5	Very high	96.2	Very high	128 Å²	128	40.9 Å²	40.9	56%	0.557	20%	0.204	S	C	*	.	H	α-helix	trans	-56.1	-30.6	174.1	-173.7	173.9	-178.4	168.9	0	112.4	R98 L99 P105	R98-K102 PolarHBondContact O-N 3.42Å; L99-K102 WeakPolarHBondContact O-CB 3.34Å; L99-K102 PolarHBondContact O-N 3.13Å; K102-P105 WeakPolarHBondContact O-CD 3.44Å
103	N	96.1	Very high	96	Very high	46 Å²	46	49.9 Å²	49.9	25%	0.246	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.2	178.9	-69.7	-20.9	0	0	0	114.6	D21 L99 Y101 P105 T106 W107	D21-N103 WeakPolarHBondContact OD1-CB 3.27Å; D21-N103 PolarHBondContact OD2-ND2 2.95Å; L99-N103 PolarHBondContact O-N 2.84Å; L99-N103 PolarHBondContact O-ND2 3.13Å; Y101-N103 PolarHBondContact O-N 3.41Å; Y101-N103 VanDerWaalsContact O-N 3.16Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; N103-T106 WeakPolarHBondContact O-CB 3.48Å; N103-T106 PolarHBondContact O-N 2.97Å; N103-T106 VanDerWaalsContact O-N 3.08Å; N103-W107 VanDerWaalsContact O-CD1 3.25Å; N103-W107 PolarHBondContact O-N 3.34Å
104	V	97.2	Very high	95.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-53.5	-44.3	178.3	166.8	0	0	0	0	113	I91 F93 Y101 T106 W107 H108 L122 F141	I91-V104 HydrophobicContact CG2-CG1 4.19Å; I91-V104 HydrophobicContact CG2-CG2 4.33Å; F93-V104 HydrophobicContact CB-CG2 3.98Å; F93-V104 HydrophobicContact CD1-CG2 4.18Å; F93-V104 HydrophobicContact CG-CG2 4.36Å; Y101-V104 HydrophobicContact CD2-CG2 4.13Å; Y101-V104 VanDerWaalsContact O-CB 3.29Å; Y101-V104 WeakPolarHBondContact O-CB 3.45Å; Y101-V104 WeakPolarHBondContact O-CG2 3.26Å; Y101-V104 PolarHBondContact O-N 2.86Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 PolarHBondContact O-N 3.31Å; V104-W107 PolarHBondContact O-N 3.31Å; V104-H108 WeakPolarHBondContact O-CB 3.44Å; V104-H108 PolarHBondContact O-N 3.45Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.97Å; V104-F141 HydrophobicContact CG1-CD1 3.45Å; V104-F141 VanDerWaalsContact CG1-CD1 3.45Å; V104-F141 HydrophobicContact CG1-CE1 3.72Å; V104-F141 HydrophobicContact CG1-CG 4.04Å; V104-F141 HydrophobicContact CG1-CZ 4.5Å
105	P	96.1	Very high	95.5	Very high	57 Å²	57	52 Å²	52	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-37.6	176.2	-25.6	34.8	0	0	0	113.8	K102 N103 R109 F141	K102-P105 WeakPolarHBondContact O-CD 3.44Å; N103-P105 VanDerWaalsContact C-CD 3.49Å; P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.32Å; P105-R109 PolarHBondContact O-N 2.95Å; P105-F141 HydrophobicContact CB-CD2 4.38Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.23Å; P105-F141 HydrophobicContact CG-CD2 3.82Å; P105-F141 HydrophobicContact CG-CE2 3.68Å; P105-F141 HydrophobicContact CG-CZ 4.43Å
106	T	94.1	Very high	95.1	Very high	55 Å²	55	59.4 Å²	59.4	34%	0.337	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-51.3	177	-53.1	0	0	0	0	110.7	N103 V104 H108 R109 D110	N103-T106 WeakPolarHBondContact O-CB 3.48Å; N103-T106 PolarHBondContact O-N 2.97Å; N103-T106 VanDerWaalsContact O-N 3.08Å; V104-T106 VanDerWaalsContact C-N 3.26Å; V104-T106 PolarHBondContact O-N 3.31Å; T106-H108 VanDerWaalsContact C-N 3.32Å; T106-H108 PolarHBondContact O-N 2.92Å; T106-R109 PolarHBondContact O-N 2.81Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 2.93Å
107	W	95.4	Very high	94.8	Very high	11 Å²	11	65.4 Å²	65.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-42.7	177.1	-72.5	108.7	0	0	0	112.6	V19 G20 D21 R79 I91 N103 V104 L111	V19-W107 HydrophobicContact CB-CD2 4.3Å; V19-W107 HydrophobicContact CB-CE3 3.68Å; V19-W107 HydrophobicContact CB-CZ3 4.1Å; V19-W107 HydrophobicContact CG1-CE3 4.12Å; V19-W107 HydrophobicContact CG1-CZ3 4.23Å; V19-W107 HydrophobicContact CG2-CB 4.42Å; V19-W107 HydrophobicContact CG2-CE3 4.46Å; G20-W107 VanDerWaalsContact C-CE2 3.41Å; G20-W107 VanDerWaalsContact C-CZ2 3.44Å; G20-W107 VanDerWaalsContact O-CZ2 3.31Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å; D21-W107 PolarHBondContact OD1-NE1 3.5Å; R79-W107 VanDerWaalsContact CZ-CH2 3.46Å; I91-W107 HydrophobicContact CG2-CB 4.11Å; N103-W107 VanDerWaalsContact O-CD1 3.25Å; N103-W107 PolarHBondContact O-N 3.34Å; V104-W107 PolarHBondContact O-N 3.31Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.4Å; W107-L111 PolarHBondContact O-N 3.16Å
108	H	95.5	Very high	94.8	Very high	22 Å²	22	65.2 Å²	65.2	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-47.7	176.3	176.5	-79.5	0	0	0	111.7	I91 V104 T106 D110 L111 C112 F141	I91-H108 HydrophobicContact CD1-CB 3.73Å; V104-H108 WeakPolarHBondContact O-CB 3.44Å; V104-H108 PolarHBondContact O-N 3.45Å; T106-H108 VanDerWaalsContact C-N 3.32Å; T106-H108 PolarHBondContact O-N 2.92Å; H108-D110 PolarHBondContact O-N 2.99Å; H108-L111 PolarHBondContact O-N 3.18Å; H108-C112 PolarHBondContact CE1-SG 3.09Å; H108-C112 WeakPolarHBondContact O-CB 3.47Å; H108-C112 PolarHBondContact O-N 3.25Å; H108-C112 PolarHBondContact O-SG 3.08Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; H108-F141 HydrophobicContact CB-CE1 3.72Å; H108-F141 HydrophobicContact CB-CZ 3.65Å; H108-F141 AromaticContact CD2-CE1 3.86Å; H108-F141 AromaticContact CG-CE1 3.75Å; H108-F141 AromaticContact CG-CZ 3.65Å
109	R	93.6	Very high	94.9	Very high	152 Å²	152	61.9 Å²	61.9	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-57.4	-49	178.1	179.3	-162.4	67.2	-161.8	-2.1	111.1	P105 T106 C112 R113	P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.32Å; P105-R109 PolarHBondContact O-N 2.95Å; T106-R109 PolarHBondContact O-N 2.81Å; R109-C112 PolarHBondContact O-N 3.4Å; R109-R113 WeakPolarHBondContact O-CB 3.22Å; R109-R113 PolarHBondContact O-N 3.13Å
110	D	92.7	Very high	95	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-39.3	-176	-62.4	-10	0	0	0	111.2	Y83 T106 H108	Y83-D110 HydrophobicContact CE2-CB 4.21Å; T106-D110 VanDerWaalsContact O-CG 3.23Å; T106-D110 PolarHBondContact O-N 2.93Å; H108-D110 PolarHBondContact O-N 2.99Å
111	L	94	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-51.3	173.2	-179.6	71.8	0	0	0	111.7	V17 Y83 A89 W107 H108 R113 V114 C115 I118 I120	V17-L111 HydrophobicContact CB-CD1 4.45Å; V17-L111 HydrophobicContact CG1-CD1 4.2Å; Y83-L111 HydrophobicContact CD1-CD1 4.11Å; Y83-L111 HydrophobicContact CG-CD1 4.1Å; A89-L111 HydrophobicContact CB-CD1 4.22Å; A89-L111 HydrophobicContact CB-CD2 3.37Å; A89-L111 HydrophobicContact CB-CG 4.41Å; W107-L111 VanDerWaalsContact O-CB 3.29Å; W107-L111 WeakPolarHBondContact O-CB 3.4Å; W107-L111 PolarHBondContact O-N 3.16Å; H108-L111 PolarHBondContact O-N 3.18Å; L111-R113 PolarHBondContact O-N 2.99Å; L111-V114 PolarHBondContact O-N 3.35Å; L111-V114 VanDerWaalsContact O-N 3.07Å; L111-C115 PolarHBondContact O-N 3.1Å; L111-I118 HydrophobicContact CD1-CD1 4.45Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; L111-I120 HydrophobicContact CD2-CD1 3.72Å; L111-I120 HydrophobicContact CD2-CG1 4.07Å
112	C	94.1	Very high	95.1	Very high	41 Å²	41	55.8 Å²	55.8	28%	0.277	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-21.2	-177.2	-70.9	0	0	0	0	113.6	H108 R109 V114	H108-C112 PolarHBondContact CE1-SG 3.09Å; H108-C112 WeakPolarHBondContact O-CB 3.47Å; H108-C112 PolarHBondContact O-N 3.25Å; H108-C112 PolarHBondContact O-SG 3.08Å; H108-C112 VanDerWaalsContact O-SG 3.37Å; R109-C112 PolarHBondContact O-N 3.4Å; C112-V114 PolarHBondContact O-N 3.22Å
113	R	93	Very high	95.2	Very high	189 Å²	189	49.7 Å²	49.7	71%	0.713	25%	0.245	S	C	*	.	H	α-helix	trans	-63.6	-28.3	171	-178.3	-179.1	172.7	-157.2	-2.8	112.4	D80 R109 L111	D80-R113 IonicContact OD2-NH1 3.65Å; R109-R113 WeakPolarHBondContact O-CB 3.22Å; R109-R113 PolarHBondContact O-N 3.13Å; L111-R113 PolarHBondContact O-N 2.99Å
114	V	94.3	Very high	95.3	Very high	48 Å²	48	47.5 Å²	47.5	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-105.5	-37.5	-178.2	-176.1	0	0	0	0	112.1	D80 Y83 I84 L111 C112	D80-V114 HydrophobicContact CB-CG2 4.02Å; Y83-V114 HydrophobicContact CD2-CB 4.33Å; Y83-V114 HydrophobicContact CD2-CG2 4.03Å; I84-V114 HydrophobicContact CB-CG1 4.49Å; I84-V114 HydrophobicContact CG1-CG1 3.94Å; L111-V114 PolarHBondContact O-N 3.35Å; L111-V114 VanDerWaalsContact O-N 3.07Å; C112-V114 PolarHBondContact O-N 3.22Å
115	C	93.1	Very high	95.3	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.047	23%	0.234	C	C	.	.	S	Bend	trans	-115.7	99.1	-178.6	-65.1	0	0	0	0	110.5	Y83 L111 I118	Y83-C115 PolarHBondContact O-SG 2.99Å; L111-C115 PolarHBondContact O-N 3.1Å; C115-I118 HydrophobicContact CB-CD1 3.59Å; C115-I118 HydrophobicContact CB-CG1 3.9Å; C115-I118 HydrophobicContact CB-CG2 4.11Å
116	E	89.1	Confident	95.4	Very high	156 Å²	156	47.7 Å²	47.7	73%	0.729	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	136.5	174.5	-63	-178	-173.7	0	0	110.7	I118	E116-I118 VanDerWaalsContact C-N 3.35Å; E116-I118 PolarHBondContact O-N 2.96Å
117	N	91.2	Very high	95.5	Very high	161 Å²	161	45.5 Å²	45.5	86%	0.861	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	29.5	168.7	-55.2	-47.2	0	0	0	117
118	I	97.1	Very high	95.5	Very high	28 Å²	28	46.7 Å²	46.7	14%	0.144	22%	0.222	C	C	.	.			trans	-85.4	148.8	173.1	61	164.3	0	0	0	112	G86 Q87 A89 L111 C115 E116 I120	G86-I118 WeakPolarHBondContact O-CG2 3.18Å; Q87-I118 WeakPolarHBondContact O-CB 3.33Å; A89-I118 HydrophobicContact CB-CD1 4.05Å; L111-I118 HydrophobicContact CD1-CD1 4.45Å; L111-I118 HydrophobicContact CD2-CD1 4.36Å; L111-I118 HydrophobicContact CG-CD1 4.47Å; C115-I118 HydrophobicContact CB-CD1 3.59Å; C115-I118 HydrophobicContact CB-CG1 3.9Å; C115-I118 HydrophobicContact CB-CG2 4.11Å; E116-I118 VanDerWaalsContact C-N 3.35Å; E116-I118 PolarHBondContact O-N 2.96Å; I118-I120 HydrophobicContact CD1-CG1 4.35Å; I118-I120 HydrophobicContact CG1-CD1 4.29Å; I118-I120 HydrophobicContact CG1-CG1 4.02Å; I118-I120 PolarHBondContact O-N 3.45Å
119	P	98.1	Very high	95.4	Very high	32 Å²	32	48.3 Å²	48.3	21%	0.208	23%	0.233	C	C	.	.			trans	-63.1	128.5	169.2	-21.5	33.6	0	0	0	111.3	Q87 C88 A89 L167 K170 L171	Q87-P119 WeakPolarHBondContact O-CD 3.14Å; C88-P119 CarbonylContact C-O 3.59Å; C88-P119 VanDerWaalsContact CA-O 3.27Å; C88-P119 WeakPolarHBondContact CA-O 3.17Å; C88-P119 WeakPolarHBondContact CB-O 3.05Å; A89-P119 PolarHBondContact N-O 3.02Å; P119-L167 HydrophobicContact CB-CD2 3.76Å; P119-L167 WeakPolarHBondContact O-CD2 3.35Å; P119-K170 HydrophobicContact CB-CB 3.87Å; P119-K170 HydrophobicContact CB-CG 4.28Å; P119-K170 HydrophobicContact CG-CB 3.75Å; P119-L171 HydrophobicContact CG-CD2 4.43Å
120	I	98.5	Very high	95.2	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.046	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	-179.6	-58	166.3	0	0	0	109.6	A89 I91 L111 I118 L147	A89-I120 HydrophobicContact CB-CG1 4.17Å; A89-I120 HydrophobicContact CB-CG2 4.5Å; A89-I120 WeakPolarHBondContact O-CA 3.49Å; I91-I120 HydrophobicContact CD1-CG2 3.88Å; I91-I120 HydrophobicContact CG1-CG2 3.85Å; L111-I120 HydrophobicContact CD2-CD1 3.72Å; L111-I120 HydrophobicContact CD2-CG1 4.07Å; I118-I120 HydrophobicContact CD1-CG1 4.35Å; I118-I120 HydrophobicContact CG1-CD1 4.29Å; I118-I120 HydrophobicContact CG1-CG1 4.02Å; I118-I120 PolarHBondContact O-N 3.45Å; I120-L147 HydrophobicContact CB-CD2 3.97Å; I120-L147 HydrophobicContact CG2-CD1 4.23Å; I120-L147 HydrophobicContact CG2-CD2 4.32Å
121	V	98.6	Very high	95.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.7	171.1	-176.4	0	0	0	0	109.6	A89 I90 I91 Q148 Y150 P163 Y166 L167	A89-V121 PolarHBondContact O-N 3.04Å; I90-V121 CarbonylContact C-O 3.54Å; I90-V121 WeakPolarHBondContact CA-O 3.39Å; I90-V121 HydrophobicContact CG1-CB 4.36Å; I91-V121 PolarHBondContact N-O 3.5Å; V121-Q148 CarbonylContact C-O 3.56Å; V121-Q148 WeakPolarHBondContact CA-O 3.48Å; V121-Q148 HydrophobicContact CG2-CB 4.37Å; V121-Y150 HydrophobicContact CG1-CD2 3.75Å; V121-Y150 HydrophobicContact CG1-CE2 4.31Å; V121-P163 HydrophobicContact CB-CB 4.49Å; V121-P163 HydrophobicContact CG1-CB 4.04Å; V121-P163 HydrophobicContact CG1-CG 4.45Å; V121-Y166 HydrophobicContact CG2-CD1 3.41Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.41Å; V121-Y166 HydrophobicContact CG2-CE1 3.98Å; V121-Y166 HydrophobicContact CG2-CG 4.28Å; V121-L167 HydrophobicContact CG2-CD1 4.3Å; V121-L167 HydrophobicContact CG2-CD2 3.77Å; V121-L167 HydrophobicContact CG2-CG 3.78Å
122	L	98.7	Very high	95.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.4	166.1	-177.6	65.9	0	0	0	109.3	I91 F93 Y101 V104 V139 H142 Q148 Y149 Y150	I91-L122 HydrophobicContact CB-CD1 4.15Å; I91-L122 HydrophobicContact CG2-CD1 4.18Å; I91-L122 CarbonylContact O-C 3.57Å; I91-L122 WeakPolarHBondContact O-CA 3.06Å; F93-L122 HydrophobicContact CD1-CD1 3.82Å; F93-L122 HydrophobicContact CD1-CG 4.22Å; F93-L122 HydrophobicContact CE1-CD1 4.07Å; F93-L122 HydrophobicContact CE1-CD2 4.15Å; F93-L122 HydrophobicContact CE1-CG 3.95Å; Y101-L122 HydrophobicContact CE2-CD2 4.43Å; V104-L122 HydrophobicContact CG1-CD1 3.67Å; V104-L122 HydrophobicContact CG2-CD1 3.97Å; L122-V139 HydrophobicContact CD2-CG1 4.13Å; L122-H142 HydrophobicContact CB-CB 4.47Å; L122-H142 HydrophobicContact CD2-CB 4.01Å; L122-Q148 PolarHBondContact N-O 3.5Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.91Å; L122-Y149 HydrophobicContact CD2-CE2 4.43Å; L122-Y149 HydrophobicContact CG-CD2 3.85Å; L122-Y149 HydrophobicContact CG-CE2 4.37Å; L122-Y149 WeakPolarHBondContact O-CA 3.3Å; L122-Y149 WeakPolarHBondContact O-CD2 3.1Å; L122-Y150 PolarHBondContact O-N 2.75Å
123	C	98.7	Very high	95.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.5	178.4	-69.2	0	0	0	0	111.2	I90 I91 M92 F93 Y150 I152 P163	I90-C123 HydrophobicContact CG2-CB 4.21Å; I91-C123 PolarHBondContact O-N 2.98Å; M92-C123 WeakPolarHBondContact CA-O 3.41Å; M92-C123 HydrophobicContact CG-CB 4.5Å; F93-C123 VanDerWaalsContact CD1-O 3.26Å; F93-C123 WeakPolarHBondContact CD1-O 3.34Å; F93-C123 PolarHBondContact N-O 2.91Å; C123-Y150 VanDerWaalsContact CA-O 3.32Å; C123-Y150 WeakPolarHBondContact CA-O 3.46Å; C123-I152 HydrophobicContact CB-CD1 3.95Å; C123-I152 HydrophobicContact CB-CG1 4.29Å; 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	-91.9	101.6	166.8	0	0	0	0	0	109.5	F93 Y150 E151 I152	F93-G124 VanDerWaalsContact CE1-CA 3.49Å; F93-G124 VanDerWaalsContact CZ-CA 3.46Å; G124-Y150 PolarHBondContact N-O 3.13Å; G124-E151 WeakPolarHBondContact O-CA 3.37Å; G124-I152 PolarHBondContact O-N 2.83Å
125	N	98.2	Very high	95.4	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	166.1	-177.3	-170.1	30.2	0	0	0	112.1	T24 M92 F93 V95 I152 S153 A154	T24-N125 PolarHBondContact O-ND2 3.02Å; M92-N125 HydrophobicContact CG-CB 4Å; M92-N125 HydrophobicContact SD-CB 3.91Å; F93-N125 PolarHBondContact O-N 3.09Å; V95-N125 WeakPolarHBondContact CG2-O 3.29Å; V95-N125 PolarHBondContact N-O 2.79Å; N125-I152 CarbonylContact C-O 3.56Å; N125-I152 WeakPolarHBondContact CA-O 3.47Å; N125-I152 HydrophobicContact CB-CD1 4.32Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 3.31Å; N125-S153 WeakPolarHBondContact OD1-CA 3.41Å; N125-A154 PolarHBondContact OD1-N 2.87Å; N125-A154 VanDerWaalsContact OD1-N 3.11Å
126	K	96.7	Very high	95.3	Very high	58 Å²	58	51 Å²	51	25%	0.252	25%	0.248	S	C	.	.			trans	69.7	32.8	176.6	-47.5	-168	-166.5	164.6	0	114.7	G23 D94 T96 D128 V129 I152	G23-K126 WeakPolarHBondContact O-CE 3.31Å; G23-K126 PolarHBondContact O-NZ 2.76Å; D94-K126 VanDerWaalsContact OD2-CD 3.31Å; D94-K126 WeakPolarHBondContact OD2-CD 3.5Å; D94-K126 WeakPolarHBondContact OD2-CE 3.31Å; D94-K126 IonicContact OD2-NZ 2.75Å; D94-K126 PolarHBondContact OD2-NZ 3.26Å; T96-K126 HydrophobicContact CG2-CB 4.45Å; K126-D128 WeakPolarHBondContact CA-OD1 3.38Å; K126-D128 PolarHBondContact O-N 3.39Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-V129 HydrophobicContact CB-CG2 4.16Å; K126-V129 WeakPolarHBondContact O-CB 3.44Å; K126-V129 PolarHBondContact O-N 3.09Å; K126-I152 PolarHBondContact N-O 2.9Å
127	V	96.8	Very high	95.4	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.4	174.1	-56.8	0	0	0	0	114.2	V95 V129 E151 I152 Y158 I192 Q197	V95-V127 HydrophobicContact CG1-CG1 4.01Å; V95-V127 HydrophobicContact CG2-CG1 4.14Å; V127-V129 PolarHBondContact O-N 3.5Å; V127-E151 HydrophobicContact CG1-CB 3.86Å; V127-E151 HydrophobicContact CG1-CG 4.17Å; V127-I152 WeakPolarHBondContact CG2-O 3.34Å; V127-I152 PolarHBondContact N-O 2.99Å; V127-Y158 HydrophobicContact CG2-CD1 3.65Å; V127-Y158 HydrophobicContact CG2-CE1 4.09Å; V127-I192 HydrophobicContact CG2-CD1 4.14Å; V127-Q197 PolarHBondContact O-NE2 3.02Å
128	D	94.4	Very high	95.3	Very high	35 Å²	35	43.6 Å²	43.6	19%	0.187	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.2	168.3	58.4	-71.8	0	0	0	113.5	K126 S153 K155 V190 I192	K126-D128 WeakPolarHBondContact CA-OD1 3.38Å; K126-D128 PolarHBondContact O-N 3.39Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-S153 VanDerWaalsContact CG-OG 3.23Å; D128-S153 VanDerWaalsContact OD1-CB 3.28Å; D128-S153 WeakPolarHBondContact OD1-CB 3.22Å; D128-S153 PolarHBondContact OD1-OG 2.95Å; D128-K155 WeakPolarHBondContact OD2-CD 3.27Å; D128-V190 HydrophobicContact CB-CG2 3.82Å; D128-I192 HydrophobicContact CB-CD1 3.58Å
129	V	93.8	Very high	95.2	Very high	56 Å²	56	42.5 Å²	42.5	34%	0.339	20%	0.201	S	C	.	.			trans	-93.1	120.2	-176.8	-177.6	0	0	0	0	110.7	T96 K126 V127 N131	T96-V129 HydrophobicContact CG2-CB 3.61Å; T96-V129 HydrophobicContact CG2-CG1 3.66Å; T96-V129 HydrophobicContact CG2-CG2 4.3Å; K126-V129 HydrophobicContact CB-CG2 4.16Å; K126-V129 WeakPolarHBondContact O-CB 3.44Å; K126-V129 PolarHBondContact O-N 3.09Å; V127-V129 PolarHBondContact O-N 3.5Å; V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 PolarHBondContact O-N 3.3Å
130	K	89.9	Confident	95.1	Very high	201 Å²	201	41.7 Å²	41.7	87%	0.874	20%	0.195	S	C	*	.	S	Bend	trans	-60	-31	-177.4	-65.3	-172.1	176.4	-173.5	0	114.8	R132	K130-R132 PolarHBondContact O-N 3.14Å
131	N	91.6	Very high	94.9	Very high	103 Å²	103	42.2 Å²	42.2	55%	0.551	20%	0.197	S	C	*	.			trans	-79.5	59.9	179.9	-172.2	27.3	0	0	0	111.6	V129 Q133	V129-N131 VanDerWaalsContact C-N 3.28Å; V129-N131 PolarHBondContact O-N 3.3Å; N131-Q133 PolarHBondContact O-N 3.34Å; N131-Q133 PolarHBondContact OD1-NE2 2.84Å
132	R	94.9	Very high	94.7	Very high	44 Å²	44	43.7 Å²	43.7	17%	0.166	20%	0.204	C	C	.	.			trans	-68.5	124.1	177.1	-177.6	173.8	-176.3	136.5	10.2	110.2	V95 K130 V134 E151 N200	V95-R132 HydrophobicContact CB-CG 4.32Å; V95-R132 HydrophobicContact CG2-CG 4.35Å; K130-R132 PolarHBondContact O-N 3.14Å; R132-V134 PolarHBondContact NE-O 3.49Å; R132-V134 PolarHBondContact NH2-O 3.26Å; R132-V134 VanDerWaalsContact NH2-O 3.14Å; R132-E151 IonicContact CZ-OE1 3.71Å; R132-E151 IonicContact CZ-OE2 3.71Å; R132-E151 VanDerWaalsContact NH1-CD 3.3Å; R132-E151 IonicContact NH1-OE1 3.66Å; R132-E151 PolarHBondContact NH1-OE1 2.81Å; R132-E151 IonicContact NH1-OE2 3.65Å; R132-E151 PolarHBondContact NH1-OE2 3.4Å; R132-E151 IonicContact NH2-OE1 3.37Å; R132-E151 PolarHBondContact NH2-OE1 3.29Å; R132-E151 IonicContact NH2-OE2 2.72Å; R132-N200 VanDerWaalsContact NH1-CG 3.31Å; R132-N200 PolarHBondContact NH1-ND2 3.5Å; R132-N200 VanDerWaalsContact NH1-ND2 3.17Å
133	Q	96.3	Very high	94.5	Very high	59 Å²	59	47 Å²	47	28%	0.276	22%	0.217	S	C	.	.			trans	-106.9	-26.1	-178	-68.5	-67.8	-23.9	0	0	113.3	V95 T96 R98 N131	V95-Q133 PolarHBondContact O-N 3.4Å; T96-Q133 WeakPolarHBondContact O-CB 3.38Å; T96-Q133 WeakPolarHBondContact O-CG 3.13Å; R98-Q133 HydrophobicContact CG-CB 3.86Å; R98-Q133 PolarHBondContact NE-O 2.91Å; N131-Q133 PolarHBondContact O-N 3.34Å; N131-Q133 PolarHBondContact OD1-NE2 2.84Å
134	V	95.8	Very high	94.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-102.3	100.6	174.7	-175.7	0	0	0	0	108.1	F93 V95 R98 Y101 R132 V139	F93-V134 HydrophobicContact CE2-CB 4.33Å; F93-V134 HydrophobicContact CE2-CG1 4.05Å; V95-V134 PolarHBondContact O-N 3.41Å; R98-V134 HydrophobicContact CG-CG2 4.43Å; Y101-V134 HydrophobicContact CD1-CG1 4.09Å; Y101-V134 HydrophobicContact CG-CG1 4.02Å; R132-V134 PolarHBondContact NE-O 3.49Å; R132-V134 PolarHBondContact NH2-O 3.26Å; R132-V134 VanDerWaalsContact NH2-O 3.14Å; V134-V139 HydrophobicContact CG1-CG2 3.7Å
135	K	93.3	Very high	94	Very high	114 Å²	114	55.3 Å²	55.3	50%	0.496	25%	0.253	S	S	.	.			trans	-67.6	147.2	-178.7	-62.8	179.3	179.7	175.5	0	110.3	K137 Q138	K135-K137 VanDerWaalsContact C-N 3.26Å; K135-K137 HydrophobicContact CB-CG 4.2Å; K135-K137 PolarHBondContact O-N 2.71Å; K135-Q138 HydrophobicContact CB-CG 4.24Å; K135-Q138 WeakPolarHBondContact O-CB 3.37Å; K135-Q138 PolarHBondContact O-N 2.67Å
136	A	91.1	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-44.6	-51.3	177	0	0	0	0	0	112.4	Q138 V139 N200 E203 L204	A136-Q138 PolarHBondContact O-N 2.78Å; A136-Q138 VanDerWaalsContact O-N 3.12Å; A136-V139 PolarHBondContact O-N 3.09Å; A136-N200 HydrophobicContact CB-CB 4.32Å; A136-N200 WeakPolarHBondContact CB-O 3.29Å; A136-E203 HydrophobicContact CB-CB 3.79Å; A136-L204 HydrophobicContact CB-CD2 4.02Å; A136-L204 HydrophobicContact CB-CG 3.82Å; A136-L204 VanDerWaalsContact O-CD2 3.25Å; A136-L204 WeakPolarHBondContact O-CD2 3.44Å
137	K	90.5	Very high	93.7	Very high	126 Å²	126	60.4 Å²	60.4	55%	0.548	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.6	-20.5	178.8	69.1	178.4	-173.2	171.3	0	116.1	K135 V139 A207	K135-K137 VanDerWaalsContact C-N 3.26Å; K135-K137 HydrophobicContact CB-CG 4.2Å; K135-K137 PolarHBondContact O-N 2.71Å; K137-V139 VanDerWaalsContact C-N 3.33Å; K137-A207 HydrophobicContact CB-CB 4.29Å
138	Q	90.9	Very high	93.8	Very high	37 Å²	37	62.9 Å²	62.9	17%	0.173	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-82.9	-13.4	178.1	-65.8	174.5	-56.2	0	0	112	Y101 K135 A136 T140 I219	Y101-Q138 WeakPolarHBondContact CE1-O 3.35Å; Y101-Q138 PolarHBondContact OH-O 3.3Å; K135-Q138 HydrophobicContact CB-CG 4.24Å; K135-Q138 WeakPolarHBondContact O-CB 3.37Å; K135-Q138 PolarHBondContact O-N 2.67Å; A136-Q138 PolarHBondContact O-N 2.78Å; A136-Q138 VanDerWaalsContact O-N 3.12Å; Q138-T140 PolarHBondContact O-N 2.83Å; Q138-I219 HydrophobicContact CB-CG2 4.42Å; Q138-I219 HydrophobicContact CG-CG2 4.23Å
139	V	94.4	Very high	93.9	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	29%	0.288	C	S	.	.			trans	-85.1	78.1	-176.7	-172.4	0	0	0	0	110.3	F93 Y101 L122 V134 A136 K137 H142 Y149 L204	F93-V139 HydrophobicContact CE1-CG1 4.4Å; F93-V139 HydrophobicContact CZ-CG1 4.16Å; F93-V139 HydrophobicContact CZ-CG2 3.99Å; Y101-V139 HydrophobicContact CE2-CB 4.38Å; Y101-V139 HydrophobicContact CE2-CG1 3.8Å; Y101-V139 HydrophobicContact CE2-CG2 4.4Å; Y101-V139 WeakPolarHBondContact OH-CA 3.2Å; L122-V139 HydrophobicContact CD2-CG1 4.13Å; V134-V139 HydrophobicContact CG1-CG2 3.7Å; A136-V139 PolarHBondContact O-N 3.09Å; K137-V139 VanDerWaalsContact C-N 3.33Å; V139-H142 PolarHBondContact O-CE1 2.79Å; V139-H142 PolarHBondContact O-ND1 2.86Å; V139-H142 VanDerWaalsContact O-ND1 3.1Å; V139-Y149 HydrophobicContact CB-CE1 4.34Å; V139-Y149 HydrophobicContact CG1-CD1 4.28Å; V139-Y149 HydrophobicContact CG1-CD2 4.1Å; V139-Y149 HydrophobicContact CG1-CE1 3.94Å; V139-Y149 HydrophobicContact CG1-CE2 3.76Å; V139-Y149 HydrophobicContact CG1-CG 4.35Å; V139-L204 HydrophobicContact CB-CD2 4.5Å
140	T	94.7	Very high	94.1	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.092	28%	0.281	C	S	.	.			trans	-103.3	-14.6	-176.8	58	0	0	0	0	114.3	Y101 Q138 H142 R143 K144 P213	Y101-T140 PolarHBondContact OH-N 3.29Å; Q138-T140 PolarHBondContact O-N 2.83Å; T140-H142 VanDerWaalsContact C-N 3.29Å; T140-H142 PolarHBondContact O-N 3.28Å; T140-R143 WeakPolarHBondContact O-CB 3.47Å; T140-R143 PolarHBondContact O-N 2.91Å; T140-K144 PolarHBondContact O-N 2.61Å; T140-P213 HydrophobicContact CG2-CG 4.41Å
141	F	95.6	Very high	94.5	Very high	20 Å²	20	52.6 Å²	52.6	9%	0.088	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-38.4	-171.8	-175.7	-98.6	0	0	0	113.5	Y101 V104 P105 H108 R143 K144 K145 L147	Y101-F141 HydrophobicContact CE2-CB 4.38Å; Y101-F141 WeakPolarHBondContact OH-CB 3.46Å; Y101-F141 PolarHBondContact OH-N 3.02Å; Y101-F141 VanDerWaalsContact OH-N 3.08Å; V104-F141 HydrophobicContact CG1-CD1 3.45Å; V104-F141 VanDerWaalsContact CG1-CD1 3.45Å; V104-F141 HydrophobicContact CG1-CE1 3.72Å; V104-F141 HydrophobicContact CG1-CG 4.04Å; V104-F141 HydrophobicContact CG1-CZ 4.5Å; P105-F141 HydrophobicContact CB-CD2 4.38Å; P105-F141 HydrophobicContact CB-CE2 3.72Å; P105-F141 HydrophobicContact CB-CZ 4.23Å; P105-F141 HydrophobicContact CG-CD2 3.82Å; P105-F141 HydrophobicContact CG-CE2 3.68Å; P105-F141 HydrophobicContact CG-CZ 4.43Å; H108-F141 HydrophobicContact CB-CE1 3.72Å; H108-F141 HydrophobicContact CB-CZ 3.65Å; H108-F141 AromaticContact CD2-CE1 3.86Å; H108-F141 AromaticContact CG-CE1 3.75Å; H108-F141 AromaticContact CG-CZ 3.65Å; F141-R143 PolarHBondContact O-N 3.36Å; F141-K144 PolarHBondContact O-N 3.03Å; F141-K144 VanDerWaalsContact O-N 3.14Å; F141-K145 HydrophobicContact CD1-CG 4.44Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.96Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.22Å; F141-K145 VanDerWaalsContact O-N 3.09Å; F141-L147 HydrophobicContact CD1-CD1 4.25Å; F141-L147 HydrophobicContact CE1-CD1 4.06Å
142	H	94.7	Very high	94.8	Very high	31 Å²	31	47.8 Å²	47.8	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-35.1	178.3	70.4	-84.8	0	0	0	112.3	L122 V139 T140 K145 N146 L147	L122-H142 HydrophobicContact CB-CB 4.47Å; L122-H142 HydrophobicContact CD2-CB 4.01Å; V139-H142 PolarHBondContact O-CE1 2.79Å; V139-H142 PolarHBondContact O-ND1 2.86Å; V139-H142 VanDerWaalsContact O-ND1 3.1Å; T140-H142 VanDerWaalsContact C-N 3.29Å; T140-H142 PolarHBondContact O-N 3.28Å; H142-K145 PolarHBondContact O-N 2.94Å; H142-N146 CarbonylContact O-C 3.55Å; H142-N146 WeakPolarHBondContact O-CA 3.11Å; H142-N146 PolarHBondContact O-N 2.92Å; H142-L147 HydrophobicContact CB-CB 4.04Å; H142-L147 PolarHBondContact O-N 2.84Å
143	R	93.3	Very high	94.8	Very high	70 Å²	70	45.7 Å²	45.7	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-68.8	-44.2	175.2	-59.3	174.4	63.4	-151.8	-1.6	111	T140 F141 K145 N146 A207 A208 Q210 L212	T140-R143 WeakPolarHBondContact O-CB 3.47Å; T140-R143 PolarHBondContact O-N 2.91Å; F141-R143 PolarHBondContact O-N 3.36Å; R143-K145 PolarHBondContact O-N 2.92Å; R143-N146 PolarHBondContact O-N 2.83Å; R143-A207 PolarHBondContact NH1-O 3.4Å; R143-A208 PolarHBondContact NH2-O 3.13Å; R143-Q210 PolarHBondContact NH1-O 3.1Å; R143-Q210 PolarHBondContact NH2-O 3.11Å; R143-L212 HydrophobicContact CB-CD1 4.35Å; R143-L212 HydrophobicContact CB-CD2 3.66Å; R143-L212 HydrophobicContact CG-CD2 4.42Å
144	K	92	Very high	94.7	Very high	65 Å²	65	43 Å²	43	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-60.3	-30.4	178	-65.2	-172.3	176.4	-168.2	0	112.5	T140 F141 L212 P213 D215 D217	T140-K144 PolarHBondContact O-N 2.61Å; F141-K144 PolarHBondContact O-N 3.03Å; F141-K144 VanDerWaalsContact O-N 3.14Å; K144-L212 HydrophobicContact CG-CD1 4.02Å; K144-L212 HydrophobicContact CG-CD2 4.16Å; K144-P213 PolarHBondContact NZ-O 2.99Å; K144-D215 IonicContact NZ-OD1 3.38Å; K144-D215 PolarHBondContact NZ-OD1 2.78Å; K144-D217 IonicContact NZ-OD2 2.74Å
145	K	94.4	Very high	94.5	Very high	109 Å²	109	45.9 Å²	45.9	47%	0.474	21%	0.208	S	C	.	.	H	α-helix	trans	-112.7	7.8	-177.2	-63.2	-57.5	-177.5	-171.8	0	115	F141 H142 R143 L147	F141-K145 HydrophobicContact CD1-CG 4.44Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CE1-CG 3.81Å; F141-K145 HydrophobicContact CE2-CG 3.96Å; F141-K145 HydrophobicContact CZ-CG 3.54Å; F141-K145 PolarHBondContact O-N 3.22Å; F141-K145 VanDerWaalsContact O-N 3.09Å; H142-K145 PolarHBondContact O-N 2.94Å; R143-K145 PolarHBondContact O-N 2.92Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 HydrophobicContact CB-CD1 4.1Å; K145-L147 HydrophobicContact CB-CD2 4.07Å; K145-L147 HydrophobicContact CB-CG 3.77Å; K145-L147 WeakPolarHBondContact O-CD2 3.29Å; K145-L147 PolarHBondContact O-N 2.93Å
146	N	93.5	Very high	94.4	Very high	149 Å²	149	41 Å²	41	80%	0.797	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	45.1	-177.1	-167.1	31.7	0	0	0	113.7	H142 R143	H142-N146 CarbonylContact O-C 3.55Å; H142-N146 WeakPolarHBondContact O-CA 3.11Å; H142-N146 PolarHBondContact O-N 2.92Å; R143-N146 PolarHBondContact O-N 2.83Å
147	L	96.8	Very high	94.5	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	20%	0.197	C	C	.	.			trans	-97.5	151.1	177.3	-45.9	-177.1	0	0	0	110.1	I120 F141 H142 K145	I120-L147 HydrophobicContact CB-CD2 3.97Å; I120-L147 HydrophobicContact CG2-CD1 4.23Å; I120-L147 HydrophobicContact CG2-CD2 4.32Å; F141-L147 HydrophobicContact CD1-CD1 4.25Å; F141-L147 HydrophobicContact CE1-CD1 4.06Å; H142-L147 HydrophobicContact CB-CB 4.04Å; H142-L147 PolarHBondContact O-N 2.84Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 HydrophobicContact CB-CD1 4.1Å; K145-L147 HydrophobicContact CB-CD2 4.07Å; K145-L147 HydrophobicContact CB-CG 3.77Å; K145-L147 WeakPolarHBondContact O-CD2 3.29Å; K145-L147 PolarHBondContact O-N 2.93Å
148	Q	97	Very high	94.7	Very high	62 Å²	62	38.7 Å²	38.7	29%	0.29	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.5	165.8	-176.5	61.7	40.8	0	0	109.4	V121 L122 Y150 Y166	V121-Q148 CarbonylContact C-O 3.56Å; V121-Q148 WeakPolarHBondContact CA-O 3.48Å; V121-Q148 HydrophobicContact CG2-CB 4.37Å; L122-Q148 PolarHBondContact N-O 3.5Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Q148-Y166 HydrophobicContact CB-CD1 3.88Å; Q148-Y166 HydrophobicContact CB-CD2 3.98Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.68Å; Q148-Y166 HydrophobicContact CB-CG 4.07Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.21Å; Q148-Y166 HydrophobicContact CG-CD2 3.73Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.9Å
149	Y	97.9	Very high	94.8	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.071	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.6	174.1	175.8	-120.7	0	0	0	111	F93 L122 V139 E151 L204	F93-Y149 AromaticContact CE1-CE2 3.7Å; F93-Y149 HydrophobicContact CE1-CE2 3.7Å; F93-Y149 AromaticContact CZ-CE2 3.84Å; F93-Y149 HydrophobicContact CZ-CE2 3.84Å; L122-Y149 HydrophobicContact CB-CD2 4.09Å; L122-Y149 HydrophobicContact CD2-CD2 3.91Å; L122-Y149 HydrophobicContact CD2-CE2 4.43Å; L122-Y149 HydrophobicContact CG-CD2 3.85Å; L122-Y149 HydrophobicContact CG-CE2 4.37Å; L122-Y149 WeakPolarHBondContact O-CA 3.3Å; L122-Y149 WeakPolarHBondContact O-CD2 3.1Å; V139-Y149 HydrophobicContact CB-CE1 4.34Å; V139-Y149 HydrophobicContact CG1-CD1 4.28Å; V139-Y149 HydrophobicContact CG1-CD2 4.1Å; V139-Y149 HydrophobicContact CG1-CE1 3.94Å; V139-Y149 HydrophobicContact CG1-CE2 3.76Å; V139-Y149 HydrophobicContact CG1-CG 4.35Å; Y149-E151 HydrophobicContact CE1-CG 3.87Å; Y149-E151 HydrophobicContact CE2-CG 4.49Å; Y149-E151 WeakPolarHBondContact OH-CG 3.37Å; Y149-E151 PolarHBondContact OH-OE1 3.03Å; Y149-L204 HydrophobicContact CD1-CD1 4.1Å; Y149-L204 HydrophobicContact CD1-CD2 4.06Å; Y149-L204 HydrophobicContact CE1-CD1 3.6Å; Y149-L204 HydrophobicContact CE1-CD2 3.61Å; Y149-L204 HydrophobicContact CE1-CG 4.26Å
150	Y	97.7	Very high	94.8	Very high	46 Å²	46	38.3 Å²	38.3	18%	0.18	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.1	167.9	-66.5	-61.7	0	0	0	111.1	V121 L122 C123 G124 Q148 K162 P163	V121-Y150 HydrophobicContact CG1-CD2 3.75Å; V121-Y150 HydrophobicContact CG1-CE2 4.31Å; L122-Y150 PolarHBondContact O-N 2.75Å; C123-Y150 VanDerWaalsContact CA-O 3.32Å; C123-Y150 WeakPolarHBondContact CA-O 3.46Å; G124-Y150 PolarHBondContact N-O 3.13Å; Q148-Y150 HydrophobicContact CG-CD2 4.05Å; Q148-Y150 HydrophobicContact CG-CE1 4.41Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Y150-K162 HydrophobicContact CD1-CB 3.97Å; Y150-K162 HydrophobicContact CD1-CD 3.8Å; Y150-K162 HydrophobicContact CD2-CB 3.92Å; Y150-K162 HydrophobicContact CE1-CB 3.93Å; Y150-K162 HydrophobicContact CE1-CD 3.77Å; Y150-K162 HydrophobicContact CE1-CG 4.41Å; Y150-K162 HydrophobicContact CE2-CB 3.86Å; Y150-K162 WeakPolarHBondContact CE2-O 3.47Å; Y150-K162 HydrophobicContact CG-CB 3.98Å; Y150-P163 HydrophobicContact CD2-CG 4.13Å
151	E	97.6	Very high	94.8	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.7	162.1	-76.4	-170.6	-173.9	0	0	109.5	G124 V127 R132 Y149 N159 L204	G124-E151 WeakPolarHBondContact O-CA 3.37Å; V127-E151 HydrophobicContact CG1-CB 3.86Å; V127-E151 HydrophobicContact CG1-CG 4.17Å; R132-E151 IonicContact CZ-OE1 3.71Å; R132-E151 IonicContact CZ-OE2 3.71Å; R132-E151 VanDerWaalsContact NH1-CD 3.3Å; R132-E151 IonicContact NH1-OE1 3.66Å; R132-E151 PolarHBondContact NH1-OE1 2.81Å; R132-E151 IonicContact NH1-OE2 3.65Å; R132-E151 PolarHBondContact NH1-OE2 3.4Å; R132-E151 IonicContact NH2-OE1 3.37Å; R132-E151 PolarHBondContact NH2-OE1 3.29Å; R132-E151 IonicContact NH2-OE2 2.72Å; Y149-E151 HydrophobicContact CE1-CG 3.87Å; Y149-E151 HydrophobicContact CE2-CG 4.49Å; Y149-E151 WeakPolarHBondContact OH-CG 3.37Å; Y149-E151 PolarHBondContact OH-OE1 3.03Å; E151-N159 VanDerWaalsContact O-CB 3.25Å; E151-N159 WeakPolarHBondContact O-CB 3.07Å; E151-N159 PolarHBondContact O-ND2 2.65Å; E151-L204 HydrophobicContact CG-CD1 4.48Å
152	I	97.3	Very high	94.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.198	C	C	.	.			trans	-134.4	162	-174.7	69.8	168.2	0	0	0	111.1	F29 M92 C123 G124 N125 K126 V127 Y158 N159 P163	F29-I152 HydrophobicContact CD2-CD1 3.78Å; F29-I152 HydrophobicContact CE2-CD1 3.69Å; F29-I152 HydrophobicContact CG-CD1 4.44Å; F29-I152 HydrophobicContact CZ-CD1 4.28Å; M92-I152 HydrophobicContact CE-CD1 3.9Å; C123-I152 HydrophobicContact CB-CD1 3.95Å; C123-I152 HydrophobicContact CB-CG1 4.29Å; G124-I152 PolarHBondContact O-N 2.83Å; N125-I152 CarbonylContact C-O 3.56Å; N125-I152 WeakPolarHBondContact CA-O 3.47Å; N125-I152 HydrophobicContact CB-CD1 4.32Å; N125-I152 HydrophobicContact CB-CG1 3.98Å; N125-I152 PolarHBondContact OD1-O 3.31Å; K126-I152 PolarHBondContact N-O 2.9Å; V127-I152 WeakPolarHBondContact CG2-O 3.34Å; V127-I152 PolarHBondContact N-O 2.99Å; I152-Y158 WeakPolarHBondContact CA-O 3.36Å; I152-N159 HydrophobicContact CG2-CB 4.04Å; I152-P163 HydrophobicContact CG2-CG 4.22Å
153	S	96.2	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-139.2	112	163.5	162.3	0	0	0	0	109.6	N125 D128 K155 S156 N157 Y158	N125-S153 WeakPolarHBondContact OD1-CA 3.41Å; D128-S153 VanDerWaalsContact CG-OG 3.23Å; D128-S153 VanDerWaalsContact OD1-CB 3.28Å; D128-S153 WeakPolarHBondContact OD1-CB 3.22Å; D128-S153 PolarHBondContact OD1-OG 2.95Å; S153-K155 PolarHBondContact O-N 2.92Å; S153-K155 PolarHBondContact OG-N 3.26Å; S153-S156 WeakPolarHBondContact CB-OG 3.48Å; S153-S156 PolarHBondContact O-N 3.3Å; S153-S156 PolarHBondContact OG-N 3.08Å; S153-S156 VanDerWaalsContact OG-N 3.12Å; S153-S156 PolarHBondContact OG-OG 3.21Å; S153-N157 WeakPolarHBondContact O-CA 3.42Å; S153-N157 PolarHBondContact O-N 3.37Å; S153-Y158 PolarHBondContact N-O 3.3Å; S153-Y158 VanDerWaalsContact N-O 3.09Å; S153-Y158 PolarHBondContact O-N 3.18Å
154	A	93.5	Very high	95.2	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	173.7	0	0	0	0	0	112.4	T28 F29 N125	T28-A154 HydrophobicContact CG2-CB 4.27Å; F29-A154 HydrophobicContact CB-CB 4.19Å; F29-A154 HydrophobicContact CD2-CB 4.35Å; N125-A154 PolarHBondContact OD1-N 2.87Å; N125-A154 VanDerWaalsContact OD1-N 3.11Å
155	K	92.3	Very high	95.5	Very high	61 Å²	61	36.7 Å²	36.7	27%	0.265	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-36.8	-178.2	-164.2	178.7	179.4	-169.5	0	113.5	F38 D128 S153 V190	F38-K155 HydrophobicContact CD1-CG 4.18Å; F38-K155 HydrophobicContact CD2-CB 4.07Å; F38-K155 HydrophobicContact CD2-CG 4.06Å; F38-K155 HydrophobicContact CE1-CD 4.08Å; F38-K155 HydrophobicContact CE1-CG 3.83Å; F38-K155 VanDerWaalsContact CE2-CA 3.49Å; F38-K155 HydrophobicContact CE2-CB 3.52Å; F38-K155 HydrophobicContact CE2-CD 4.45Å; F38-K155 HydrophobicContact CE2-CG 3.68Å; F38-K155 HydrophobicContact CG-CG 4.3Å; F38-K155 HydrophobicContact CZ-CB 3.82Å; F38-K155 HydrophobicContact CZ-CD 3.89Å; F38-K155 HydrophobicContact CZ-CG 3.56Å; D128-K155 WeakPolarHBondContact OD2-CD 3.27Å; S153-K155 PolarHBondContact O-N 2.92Å; S153-K155 PolarHBondContact OG-N 3.26Å; K155-V190 HydrophobicContact CB-CG2 4.12Å; K155-V190 HydrophobicContact CD-CG1 4.08Å; K155-V190 HydrophobicContact CD-CG2 3.72Å; K155-V190 HydrophobicContact CG-CG2 3.73Å
156	S	91.7	Very high	95.7	Very high	13 Å²	13	33.5 Å²	33.5	9%	0.091	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-1.4	-177.6	63.6	0	0	0	0	114	S153 Y158 P188 V190 I192	S153-S156 WeakPolarHBondContact CB-OG 3.48Å; S153-S156 PolarHBondContact O-N 3.3Å; S153-S156 PolarHBondContact OG-N 3.08Å; S153-S156 VanDerWaalsContact OG-N 3.12Å; S153-S156 PolarHBondContact OG-OG 3.21Å; S156-Y158 PolarHBondContact O-N 3.41Å; S156-Y158 WeakPolarHBondContact OG-CB 3.44Å; S156-Y158 PolarHBondContact OG-N 2.99Å; S156-P188 WeakPolarHBondContact O-CB 3.42Å; S156-V190 VanDerWaalsContact CB-O 3.26Å; S156-V190 WeakPolarHBondContact CB-O 3.36Å; S156-I192 VanDerWaalsContact OG-CD1 3.23Å; S156-I192 WeakPolarHBondContact OG-CD1 3.17Å; S156-I192 WeakPolarHBondContact OG-CG1 3.36Å
157	N	91.9	Very high	95.9	Very high	33 Å²	33	26.4 Å²	26.4	18%	0.176	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	13.2	-171.2	-49.7	-28.3	0	0	0	114	R32 S153 N159 F160 L185 A186	R32-N157 PolarHBondContact NE-OD1 2.87Å; R32-N157 PolarHBondContact NH2-ND2 3.23Å; R32-N157 PolarHBondContact NH2-OD1 3.39Å; R32-N157 VanDerWaalsContact NH2-OD1 3.17Å; S153-N157 WeakPolarHBondContact O-CA 3.42Å; S153-N157 PolarHBondContact O-N 3.37Å; N157-N159 PolarHBondContact O-N 2.88Å; N157-F160 HydrophobicContact CB-CB 4.49Å; N157-F160 VanDerWaalsContact O-CB 3.32Å; N157-F160 WeakPolarHBondContact O-CB 3.49Å; N157-F160 PolarHBondContact O-N 3.46Å; N157-L185 HydrophobicContact CB-CD1 3.94Å; N157-A186 PolarHBondContact ND2-O 3.45Å
158	Y	94.4	Very high	95.9	Very high	43 Å²	43	25.4 Å²	25.4	17%	0.169	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-64.7	125.7	-179.9	-178.7	-108.4	0	0	0	111.9	V127 I152 S153 S156 F160 I192 Q197	V127-Y158 HydrophobicContact CG2-CD1 3.65Å; V127-Y158 HydrophobicContact CG2-CE1 4.09Å; I152-Y158 WeakPolarHBondContact CA-O 3.36Å; S153-Y158 PolarHBondContact N-O 3.3Å; S153-Y158 VanDerWaalsContact N-O 3.09Å; S153-Y158 PolarHBondContact O-N 3.18Å; S156-Y158 PolarHBondContact O-N 3.41Å; S156-Y158 WeakPolarHBondContact OG-CB 3.44Å; S156-Y158 PolarHBondContact OG-N 2.99Å; Y158-F160 PolarHBondContact O-N 3.4Å; Y158-I192 HydrophobicContact CD2-CG1 4.14Å; Y158-I192 HydrophobicContact CD2-CG2 4.21Å; Y158-I192 HydrophobicContact CE2-CG2 4.44Å; Y158-I192 HydrophobicContact CG-CG1 3.87Å; Y158-I192 HydrophobicContact CG-CG2 4.48Å; Y158-Q197 HydrophobicContact CE1-CB 4.49Å; Y158-Q197 HydrophobicContact CE1-CG 4.07Å; Y158-Q197 HydrophobicContact CE2-CG 4.4Å
159	N	94.9	Very high	96	Very high	30 Å²	30	26.7 Å²	26.7	16%	0.16	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	21.8	-177.1	-69.9	-26.2	0	0	0	114.5	E151 I152 N157 E161 K162 P163	E151-N159 VanDerWaalsContact O-CB 3.25Å; E151-N159 WeakPolarHBondContact O-CB 3.07Å; E151-N159 PolarHBondContact O-ND2 2.65Å; I152-N159 HydrophobicContact CG2-CB 4.04Å; N157-N159 PolarHBondContact O-N 2.88Å; N159-E161 VanDerWaalsContact C-N 3.3Å; N159-E161 PolarHBondContact O-N 3.02Å; N159-K162 HydrophobicContact CB-CD 3.88Å; N159-K162 HydrophobicContact CB-CG 4.2Å; N159-K162 PolarHBondContact O-N 3.43Å; N159-K162 VanDerWaalsContact O-N 3.11Å; N159-K162 WeakPolarHBondContact OD1-CD 3.07Å; N159-K162 WeakPolarHBondContact OD1-CE 3.31Å; N159-K162 PolarHBondContact OD1-NZ 3.43Å; N159-P163 WeakPolarHBondContact O-CD 3.46Å
160	F	93.1	Very high	96	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-41.7	-169.4	-173.5	-92	0	0	0	113.6	F29 R32 H33 N157 Y158 P163 F164 L185	F29-F160 AromaticContact CD2-CD2 3.67Å; F29-F160 HydrophobicContact CD2-CD2 3.67Å; F29-F160 AromaticContact CD2-CE2 3.4Å; F29-F160 HydrophobicContact CD2-CE2 3.4Å; F29-F160 VanDerWaalsContact CD2-CE2 3.4Å; F29-F160 HydrophobicContact CD2-CZ 4.19Å; F29-F160 AromaticContact CE2-CD2 3.49Å; F29-F160 HydrophobicContact CE2-CD2 3.49Å; F29-F160 VanDerWaalsContact CE2-CD2 3.49Å; F29-F160 AromaticContact CE2-CE2 3.57Å; F29-F160 HydrophobicContact CE2-CE2 3.57Å; F29-F160 HydrophobicContact CE2-CG 4.04Å; F29-F160 HydrophobicContact CE2-CZ 4.17Å; F29-F160 HydrophobicContact CG-CE2 4.23Å; F29-F160 HydrophobicContact CZ-CE2 4.49Å; F29-F160 WeakPolarHBondContact CZ-O 3.41Å; F29-F160 WeakPolarHBondContact O-CE2 3.47Å; F29-F160 VanDerWaalsContact O-CZ 3.23Å; F29-F160 WeakPolarHBondContact O-CZ 3.36Å; R32-F160 HydrophobicContact CB-CE2 3.93Å; R32-F160 HydrophobicContact CB-CZ 4.08Å; R32-F160 HydrophobicContact CG-CE2 3.84Å; R32-F160 HydrophobicContact CG-CZ 4.15Å; H33-F160 HydrophobicContact CB-CE1 3.84Å; H33-F160 HydrophobicContact CB-CZ 3.78Å; H33-F160 AromaticContact ND1-CE1 3.67Å; N157-F160 HydrophobicContact CB-CB 4.49Å; N157-F160 VanDerWaalsContact O-CB 3.32Å; N157-F160 WeakPolarHBondContact O-CB 3.49Å; N157-F160 PolarHBondContact O-N 3.46Å; Y158-F160 PolarHBondContact O-N 3.4Å; F160-P163 WeakPolarHBondContact O-CD 3.46Å; F160-F164 HydrophobicContact CE1-CE2 4.47Å; F160-L185 HydrophobicContact CD1-CD1 3.88Å; F160-L185 HydrophobicContact CD1-CD2 4.5Å; F160-L185 HydrophobicContact CE1-CD1 4.29Å; F160-L185 HydrophobicContact CE1-CD2 4.08Å; F160-L185 HydrophobicContact CG-CD1 4.17Å; F160-L185 HydrophobicContact CZ-CD2 4.38Å
161	E	94.2	Very high	96	Very high	52 Å²	52	31.1 Å²	31.1	24%	0.243	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.1	-176.7	-61.9	-179.1	123.4	0	0	113.9	N159 F164 L165 F179 P183	N159-E161 VanDerWaalsContact C-N 3.3Å; N159-E161 PolarHBondContact O-N 3.02Å; E161-F164 PolarHBondContact O-N 3.34Å; E161-F164 VanDerWaalsContact O-N 3.13Å; E161-L165 PolarHBondContact O-N 3.06Å; E161-F179 HydrophobicContact CB-CD2 4.16Å; E161-F179 HydrophobicContact CB-CE2 4.08Å; E161-P183 WeakPolarHBondContact OE1-CD 3.41Å
162	K	96.7	Very high	95.9	Very high	82 Å²	82	33.5 Å²	33.5	36%	0.357	16%	0.162	S	C	.	.	H	α-helix	trans	-57.4	-43	-172.1	-69.8	-169.6	176.2	167.7	0	113.3	Y150 N159 L165 Y166	Y150-K162 HydrophobicContact CD1-CB 3.97Å; Y150-K162 HydrophobicContact CD1-CD 3.8Å; Y150-K162 HydrophobicContact CD2-CB 3.92Å; Y150-K162 HydrophobicContact CE1-CB 3.93Å; Y150-K162 HydrophobicContact CE1-CD 3.77Å; Y150-K162 HydrophobicContact CE1-CG 4.41Å; Y150-K162 HydrophobicContact CE2-CB 3.86Å; Y150-K162 WeakPolarHBondContact CE2-O 3.47Å; Y150-K162 HydrophobicContact CG-CB 3.98Å; N159-K162 HydrophobicContact CB-CD 3.88Å; N159-K162 HydrophobicContact CB-CG 4.2Å; N159-K162 PolarHBondContact O-N 3.43Å; N159-K162 VanDerWaalsContact O-N 3.11Å; N159-K162 WeakPolarHBondContact OD1-CD 3.07Å; N159-K162 WeakPolarHBondContact OD1-CE 3.31Å; N159-K162 PolarHBondContact OD1-NZ 3.43Å; K162-L165 PolarHBondContact O-N 2.72Å; K162-Y166 WeakPolarHBondContact O-CB 3.46Å; K162-Y166 PolarHBondContact O-N 3.22Å
163	P	98.2	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-48.1	175.3	-25.4	35.7	0	0	0	112.5	F29 I90 V121 C123 Y150 I152 N159 F160 Y166 L167	F29-P163 HydrophobicContact CZ-CG 4.29Å; I90-P163 HydrophobicContact CD1-CB 3.87Å; I90-P163 HydrophobicContact CG1-CB 4.36Å; V121-P163 HydrophobicContact CB-CB 4.49Å; V121-P163 HydrophobicContact CG1-CB 4.04Å; V121-P163 HydrophobicContact CG1-CG 4.45Å; C123-P163 VanDerWaalsContact SG-CG 3.54Å; Y150-P163 HydrophobicContact CD2-CG 4.13Å; I152-P163 HydrophobicContact CG2-CG 4.22Å; N159-P163 WeakPolarHBondContact O-CD 3.46Å; F160-P163 WeakPolarHBondContact O-CD 3.46Å; P163-Y166 PolarHBondContact O-N 3.13Å; P163-L167 VanDerWaalsContact O-CG 3.3Å; P163-L167 WeakPolarHBondContact O-CG 3.39Å; P163-L167 PolarHBondContact O-N 3Å; P163-L167 VanDerWaalsContact O-N 3.09Å
164	F	97.6	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-42.5	-178.9	-62.7	-73.9	0	0	0	112.1	L16 F29 L53 F55 F64 I90 F160 E161 Y166 L167 A168 F179	L16-F164 HydrophobicContact CD2-CD1 4.06Å; L16-F164 HydrophobicContact CD2-CE1 3.55Å; F29-F164 HydrophobicContact CD1-CE2 4.46Å; F29-F164 HydrophobicContact CD1-CZ 4.31Å; F29-F164 HydrophobicContact CE1-CD2 4.44Å; F29-F164 AromaticContact CE1-CE2 3.42Å; F29-F164 HydrophobicContact CE1-CE2 3.42Å; F29-F164 VanDerWaalsContact CE1-CE2 3.42Å; F29-F164 AromaticContact CE1-CZ 3.47Å; F29-F164 HydrophobicContact CE1-CZ 3.47Å; F29-F164 VanDerWaalsContact CE1-CZ 3.47Å; F29-F164 HydrophobicContact CE2-CE2 4.38Å; F29-F164 HydrophobicContact CZ-CD2 4.13Å; F29-F164 AromaticContact CZ-CE2 3.36Å; F29-F164 HydrophobicContact CZ-CE2 3.36Å; F29-F164 AromaticContact CZ-CZ 3.95Å; F29-F164 HydrophobicContact CZ-CZ 3.95Å; L53-F164 HydrophobicContact CD1-CE1 3.67Å; L53-F164 HydrophobicContact CD1-CZ 3.75Å; F55-F164 HydrophobicContact CD1-CB 4.49Å; F55-F164 HydrophobicContact CE1-CB 3.68Å; F55-F164 HydrophobicContact CE1-CD2 4.02Å; F55-F164 AromaticContact CE1-CG 3.86Å; F55-F164 HydrophobicContact CE1-CG 3.86Å; F55-F164 HydrophobicContact CE2-CB 4.2Å; F55-F164 AromaticContact CE2-CD1 3.88Å; F55-F164 HydrophobicContact CE2-CD1 3.88Å; F55-F164 HydrophobicContact CE2-CE1 4.38Å; F55-F164 HydrophobicContact CE2-CG 4.01Å; F55-F164 HydrophobicContact CZ-CB 3.52Å; F55-F164 AromaticContact CZ-CD1 3.57Å; F55-F164 HydrophobicContact CZ-CD1 3.57Å; F55-F164 AromaticContact CZ-CD2 3.58Å; F55-F164 HydrophobicContact CZ-CD2 3.58Å; F55-F164 HydrophobicContact CZ-CE1 4.09Å; F55-F164 HydrophobicContact CZ-CE2 4.09Å; F55-F164 AromaticContact CZ-CG 3.27Å; F55-F164 HydrophobicContact CZ-CG 3.27Å; F55-F164 HydrophobicContact CZ-CZ 4.33Å; F64-F164 AromaticContact CD2-CD1 4Å; F64-F164 HydrophobicContact CD2-CD1 4Å; F64-F164 HydrophobicContact CE2-CB 4.34Å; F64-F164 HydrophobicContact CE2-CD1 4.24Å; I90-F164 HydrophobicContact CD1-CE1 4.43Å; F160-F164 HydrophobicContact CE1-CE2 4.47Å; E161-F164 PolarHBondContact O-N 3.34Å; E161-F164 VanDerWaalsContact O-N 3.13Å; F164-Y166 PolarHBondContact O-N 2.71Å; F164-L167 PolarHBondContact O-N 3.3Å; F164-A168 VanDerWaalsContact O-CB 3.32Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 2.77Å; F164-F179 HydrophobicContact CB-CE2 4.23Å; F164-F179 HydrophobicContact CB-CZ 4.01Å
165	L	97.8	Very high	95.9	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.173	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-43.2	179	-180	57.8	0	0	0	111.7	E161 K162 L167 A168 R169 L177 F179	E161-L165 PolarHBondContact O-N 3.06Å; K162-L165 PolarHBondContact O-N 2.72Å; L165-L167 PolarHBondContact O-N 2.98Å; L165-A168 PolarHBondContact O-N 2.81Å; L165-R169 HydrophobicContact CD1-CG 4.39Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.21Å; L165-R169 PolarHBondContact O-N 2.74Å; L165-L177 HydrophobicContact CD1-CD2 3.71Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.71Å; L165-F179 HydrophobicContact CB-CZ 3.9Å; L165-F179 HydrophobicContact CD1-CD1 4.27Å; L165-F179 HydrophobicContact CD1-CD2 4.48Å; L165-F179 HydrophobicContact CD1-CE1 4.15Å; L165-F179 HydrophobicContact CD1-CE2 4.38Å; L165-F179 HydrophobicContact CD1-CG 4.43Å; L165-F179 HydrophobicContact CD1-CZ 4.21Å
166	Y	98.4	Very high	96.1	Very high	41 Å²	41	50 Å²	50	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-46.7	175.4	174	-92.2	0	0	0	111.5	V121 Q148 K162 P163 F164 R169 K170	V121-Y166 HydrophobicContact CG2-CD1 3.41Å; V121-Y166 VanDerWaalsContact CG2-CD1 3.41Å; V121-Y166 HydrophobicContact CG2-CE1 3.98Å; V121-Y166 HydrophobicContact CG2-CG 4.28Å; Q148-Y166 HydrophobicContact CB-CD1 3.88Å; Q148-Y166 HydrophobicContact CB-CD2 3.98Å; Q148-Y166 HydrophobicContact CB-CE1 3.56Å; Q148-Y166 HydrophobicContact CB-CE2 3.68Å; Q148-Y166 HydrophobicContact CB-CG 4.07Å; Q148-Y166 VanDerWaalsContact CB-CZ 3.45Å; Q148-Y166 HydrophobicContact CG-CD1 4.21Å; Q148-Y166 HydrophobicContact CG-CD2 3.73Å; Q148-Y166 HydrophobicContact CG-CE1 4.32Å; Q148-Y166 HydrophobicContact CG-CE2 3.87Å; Q148-Y166 HydrophobicContact CG-CG 3.9Å; K162-Y166 WeakPolarHBondContact O-CB 3.46Å; K162-Y166 PolarHBondContact O-N 3.22Å; P163-Y166 PolarHBondContact O-N 3.13Å; F164-Y166 PolarHBondContact O-N 2.71Å; Y166-R169 PolarHBondContact O-N 3.35Å; Y166-K170 HydrophobicContact CD1-CG 4.31Å; Y166-K170 HydrophobicContact CE1-CG 3.85Å; Y166-K170 HydrophobicContact CE2-CG 4.23Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 WeakPolarHBondContact O-CG 3.35Å; Y166-K170 PolarHBondContact O-N 3.33Å; Y166-K170 WeakPolarHBondContact OH-CE 3.32Å
167	L	98.4	Very high	96.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.7	178.6	-69.1	178.5	0	0	0	111.6	L16 F64 C88 I90 P119 V121 P163 F164 L165 R169 K170 L171	L16-L167 HydrophobicContact CD1-CD1 3.64Å; F64-L167 HydrophobicContact CE1-CB 4.29Å; F64-L167 HydrophobicContact CZ-CB 4.06Å; C88-L167 HydrophobicContact CB-CD1 4.14Å; C88-L167 HydrophobicContact CB-CD2 3.81Å; C88-L167 HydrophobicContact CB-CG 4.39Å; I90-L167 HydrophobicContact CD1-CD1 4.4Å; I90-L167 HydrophobicContact CG1-CD1 4.04Å; P119-L167 HydrophobicContact CB-CD2 3.76Å; P119-L167 WeakPolarHBondContact O-CD2 3.35Å; V121-L167 HydrophobicContact CG2-CD1 4.3Å; V121-L167 HydrophobicContact CG2-CD2 3.77Å; V121-L167 HydrophobicContact CG2-CG 3.78Å; P163-L167 VanDerWaalsContact O-CG 3.3Å; P163-L167 WeakPolarHBondContact O-CG 3.39Å; P163-L167 PolarHBondContact O-N 3Å; P163-L167 VanDerWaalsContact O-N 3.09Å; F164-L167 PolarHBondContact O-N 3.3Å; L165-L167 PolarHBondContact O-N 2.98Å; L167-R169 PolarHBondContact O-N 2.9Å; L167-K170 PolarHBondContact O-N 3.18Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CD1 3.24Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.08Å
168	A	98	Very high	96.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-57.6	-47.3	176.3	0	0	0	0	0	111.7	I62 F64 F164 L165 K170 L171 A172 L177 F179	I62-A168 HydrophobicContact CD1-CB 3.42Å; I62-A168 VanDerWaalsContact CD1-CB 3.42Å; F64-A168 HydrophobicContact CZ-CB 4.26Å; F164-A168 VanDerWaalsContact O-CB 3.32Å; F164-A168 WeakPolarHBondContact O-CB 3.42Å; F164-A168 PolarHBondContact O-N 2.77Å; L165-A168 PolarHBondContact O-N 2.81Å; A168-K170 PolarHBondContact O-N 2.81Å; A168-L171 PolarHBondContact O-N 3.33Å; A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.37Å; A168-L177 HydrophobicContact CB-CD1 4.43Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; A168-F179 HydrophobicContact CB-CE1 4.41Å
169	R	98.2	Very high	96.8	Very high	88 Å²	88	51.5 Å²	51.5	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175.6	-72.8	172.2	172	170.7	-2	112.4	L165 Y166 L167 G173 D174 Q175 L177	L165-R169 HydrophobicContact CD1-CG 4.39Å; L165-R169 VanDerWaalsContact O-CG 3.31Å; L165-R169 WeakPolarHBondContact O-CG 3.21Å; L165-R169 PolarHBondContact O-N 2.74Å; Y166-R169 PolarHBondContact O-N 3.35Å; L167-R169 PolarHBondContact O-N 2.9Å; R169-G173 PolarHBondContact O-N 2.77Å; R169-D174 WeakPolarHBondContact CA-O 3.33Å; R169-D174 WeakPolarHBondContact CB-O 3.33Å; R169-D174 WeakPolarHBondContact CG-O 3.38Å; R169-D174 PolarHBondContact O-N 3.48Å; R169-Q175 PolarHBondContact NE-O 3.4Å; R169-L177 HydrophobicContact CG-CB 4.03Å; R169-L177 HydrophobicContact CG-CD2 4.35Å; R169-L177 VanDerWaalsContact CZ-O 3.29Å; R169-L177 PolarHBondContact NE-O 3.4Å; R169-L177 PolarHBondContact NH2-O 2.85Å
170	K	97.8	Very high	96.8	Very high	116 Å²	116	53.9 Å²	53.9	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-41.7	179.1	-74.3	-65	-170.4	179.6	0	112.4	P119 Y166 L167 A168	P119-K170 HydrophobicContact CB-CB 3.87Å; P119-K170 HydrophobicContact CB-CG 4.28Å; P119-K170 HydrophobicContact CG-CB 3.75Å; Y166-K170 HydrophobicContact CD1-CG 4.31Å; Y166-K170 HydrophobicContact CE1-CG 3.85Å; Y166-K170 HydrophobicContact CE2-CG 4.23Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 WeakPolarHBondContact O-CG 3.35Å; Y166-K170 PolarHBondContact O-N 3.33Å; Y166-K170 WeakPolarHBondContact OH-CE 3.32Å; L167-K170 PolarHBondContact O-N 3.18Å; A168-K170 PolarHBondContact O-N 2.81Å
171	L	97.1	Very high	96.7	Very high	42 Å²	42	59 Å²	59	22%	0.22	31%	0.31	C	S	.	.	H	α-helix	trans	-74.5	-36.1	-178.7	-70.1	164.3	0	0	0	112.7	F14 F64 Q87 C88 P119 L167 A168 G173	F14-L171 HydrophobicContact CB-CD1 3.98Å; F14-L171 HydrophobicContact CD1-CB 4.16Å; F14-L171 HydrophobicContact CD1-CD1 3.9Å; F14-L171 HydrophobicContact CD1-CD2 4.02Å; F14-L171 HydrophobicContact CD1-CG 4.26Å; F14-L171 HydrophobicContact CD2-CD1 4.04Å; F14-L171 HydrophobicContact CE1-CB 3.83Å; F14-L171 HydrophobicContact CE1-CD1 4.4Å; F14-L171 HydrophobicContact CE1-CD2 4.32Å; F14-L171 HydrophobicContact CE1-CG 4.42Å; F14-L171 HydrophobicContact CE2-CB 4.34Å; F14-L171 HydrophobicContact CG-CD1 3.7Å; F14-L171 HydrophobicContact CZ-CB 3.93Å; F64-L171 HydrophobicContact CE1-CD1 3.63Å; F64-L171 HydrophobicContact CZ-CD1 4.23Å; Q87-L171 HydrophobicContact CB-CD2 4.35Å; C88-L171 HydrophobicContact CB-CD1 4.01Å; P119-L171 HydrophobicContact CG-CD2 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CD1 3.24Å; L167-L171 VanDerWaalsContact O-CG 3.24Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.08Å; A168-L171 PolarHBondContact O-N 3.33Å; L171-G173 VanDerWaalsContact C-N 3.33Å
172	A	95.5	Very high	96	Very high	61 Å²	61	61.8 Å²	61.8	50%	0.504	33%	0.33	S	S	.	.	H	α-helix	trans	-78.5	-17.6	175.7	0	0	0	0	0	113.1	A168 D174 L177	A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.37Å; A172-D174 HydrophobicContact CB-CB 4.48Å; A172-D174 PolarHBondContact O-N 2.68Å; A172-L177 HydrophobicContact CB-CD1 3.78Å
173	G	96.2	Very high	95.1	Very high	72 Å²	72	59 Å²	59	74%	0.742	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	18	-173	0	0	0	0	0	113.8	R169 L171	R169-G173 PolarHBondContact O-N 2.77Å; L171-G173 VanDerWaalsContact C-N 3.33Å
174	D	96.6	Very high	94.3	Very high	47 Å²	47	63.8 Å²	63.8	25%	0.251	36%	0.36	S	S	.	.			trans	-123	114.6	-176.1	-178.8	8.9	0	0	0	110.8	R169 A172 N176 L177	R169-D174 WeakPolarHBondContact CA-O 3.33Å; R169-D174 WeakPolarHBondContact CB-O 3.33Å; R169-D174 WeakPolarHBondContact CG-O 3.38Å; R169-D174 PolarHBondContact O-N 3.48Å; A172-D174 HydrophobicContact CB-CB 4.48Å; A172-D174 PolarHBondContact O-N 2.68Å; D174-N176 VanDerWaalsContact C-N 3.31Å; D174-N176 WeakPolarHBondContact OD1-CB 3.37Å; D174-N176 PolarHBondContact OD1-N 3.22Å; D174-L177 HydrophobicContact CB-CB 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.13Å
175	Q	95.4	Very high	93.4	Very high	166 Å²	166	65.8 Å²	65.8	78%	0.776	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.5	178.2	-63	-173.3	8.1	0	0	113.1	R169 L177	R169-Q175 PolarHBondContact NE-O 3.4Å; Q175-L177 VanDerWaalsContact C-N 3.32Å
176	N	97	Very high	92.5	Very high	127 Å²	127	66 Å²	66	68%	0.679	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.9	180	-59.3	-51.7	0	0	0	112.8	D174 H178	D174-N176 VanDerWaalsContact C-N 3.31Å; D174-N176 WeakPolarHBondContact OD1-CB 3.37Å; D174-N176 PolarHBondContact OD1-N 3.22Å; N176-H178 PolarHBondContact O-N 2.84Å; N176-H178 PolarHBondContact O-ND1 2.82Å; N176-H178 VanDerWaalsContact O-ND1 3.07Å
177	L	97.7	Very high	91.7	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	40%	0.403	C	S	.	.			trans	-54.5	130.5	174	-174.9	156.4	0	0	0	109.8	T57 N58 L165 A168 R169 A172 D174 Q175 F179	T57-L177 HydrophobicContact CG2-CD1 4.27Å; T57-L177 HydrophobicContact CG2-CD2 3.92Å; T57-L177 HydrophobicContact CG2-CG 4.18Å; N58-L177 VanDerWaalsContact OD1-CA 3.31Å; N58-L177 WeakPolarHBondContact OD1-CA 3.36Å; L165-L177 HydrophobicContact CD1-CD2 3.71Å; A168-L177 HydrophobicContact CB-CD1 4.43Å; A168-L177 HydrophobicContact CB-CD2 3.82Å; R169-L177 HydrophobicContact CG-CB 4.03Å; R169-L177 HydrophobicContact CG-CD2 4.35Å; R169-L177 VanDerWaalsContact CZ-O 3.29Å; R169-L177 PolarHBondContact NE-O 3.4Å; R169-L177 PolarHBondContact NH2-O 2.85Å; A172-L177 HydrophobicContact CB-CD1 3.78Å; D174-L177 HydrophobicContact CB-CB 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.13Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; L177-F179 HydrophobicContact CD2-CE1 4.5Å
178	H	97	Very high	90.9	Very high	87 Å²	87	71.5 Å²	71.5	40%	0.403	42%	0.418	S	S	.	.			trans	-143.3	153.7	174	59.3	-82.4	0	0	0	110.3	T57 N58 N176	T57-H178 CarbonylContact C-O 3.57Å; T57-H178 VanDerWaalsContact CA-O 3.22Å; T57-H178 WeakPolarHBondContact CA-O 3.14Å; N58-H178 VanDerWaalsContact CB-CE1 3.42Å; N58-H178 WeakPolarHBondContact CB-CE1 3.42Å; N58-H178 VanDerWaalsContact CG-CE1 3.48Å; N58-H178 PolarHBondContact N-O 2.9Å; N58-H178 VanDerWaalsContact N-O 3.08Å; N58-H178 PolarHBondContact OD1-N 2.96Å; N58-H178 PolarHBondContact OD1-O 2.91Å; N176-H178 PolarHBondContact O-N 2.84Å; N176-H178 PolarHBondContact O-ND1 2.82Å; N176-H178 VanDerWaalsContact O-ND1 3.07Å
179	F	96.5	Very high	89.9	Confident	28 Å²	28	75.9 Å²	75.9	12%	0.123	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-73.6	133.9	172.7	-58.7	-32.1	0	0	0	109.6	F55 F56 T57 I62 E161 F164 L165 A168 L177	F55-F179 HydrophobicContact CB-CD1 4.03Å; F55-F179 HydrophobicContact CB-CE1 3.67Å; F55-F179 HydrophobicContact CB-CZ 4.16Å; F55-F179 HydrophobicContact CD1-CD1 4.17Å; F55-F179 AromaticContact CD1-CD2 3.99Å; F55-F179 HydrophobicContact CD1-CD2 3.99Å; F55-F179 AromaticContact CD1-CE1 3.69Å; F55-F179 HydrophobicContact CD1-CE1 3.69Å; F55-F179 AromaticContact CD1-CE2 3.46Å; F55-F179 HydrophobicContact CD1-CE2 3.46Å; F55-F179 VanDerWaalsContact CD1-CE2 3.46Å; F55-F179 HydrophobicContact CD1-CG 4.33Å; F55-F179 AromaticContact CD1-CZ 3.29Å; F55-F179 HydrophobicContact CD1-CZ 3.29Å; F55-F179 HydrophobicContact CE1-CD2 4.49Å; F55-F179 AromaticContact CE1-CE2 3.74Å; F55-F179 HydrophobicContact CE1-CE2 3.74Å; F55-F179 AromaticContact CE1-CZ 3.81Å; F55-F179 HydrophobicContact CE1-CZ 3.81Å; F55-F179 AromaticContact CG-CE1 3.9Å; F55-F179 HydrophobicContact CG-CE1 3.9Å; F55-F179 HydrophobicContact CG-CE2 4.43Å; F55-F179 AromaticContact CG-CZ 3.85Å; F55-F179 HydrophobicContact CG-CZ 3.85Å; F56-F179 CarbonylContact O-C 3.49Å; F56-F179 VanDerWaalsContact O-CA 3.27Å; F56-F179 WeakPolarHBondContact O-CA 3.33Å; T57-F179 HydrophobicContact CG2-CD1 4.03Å; T57-F179 HydrophobicContact CG2-CE1 4.2Å; I62-F179 HydrophobicContact CD1-CE1 4.46Å; E161-F179 HydrophobicContact CB-CD2 4.16Å; E161-F179 HydrophobicContact CB-CE2 4.08Å; F164-F179 HydrophobicContact CB-CE2 4.23Å; F164-F179 HydrophobicContact CB-CZ 4.01Å; L165-F179 HydrophobicContact CB-CD2 4.32Å; L165-F179 HydrophobicContact CB-CE2 3.71Å; L165-F179 HydrophobicContact CB-CZ 3.9Å; L165-F179 HydrophobicContact CD1-CD1 4.27Å; L165-F179 HydrophobicContact CD1-CD2 4.48Å; L165-F179 HydrophobicContact CD1-CE1 4.15Å; L165-F179 HydrophobicContact CD1-CE2 4.38Å; L165-F179 HydrophobicContact CD1-CG 4.43Å; L165-F179 HydrophobicContact CD1-CZ 4.21Å; A168-F179 HydrophobicContact CB-CE1 4.41Å; L177-F179 HydrophobicContact CD2-CE1 4.5Å
180	V	96.1	Very high	89.3	Confident	80 Å²	80	73.5 Å²	73.5	49%	0.485	43%	0.433	S	S	.	.	S	Bend	trans	-97.4	-13.6	179	-66.5	0	0	0	0	112.3	F56 N58	F56-V180 HydrophobicContact CB-CG2 3.82Å; F56-V180 WeakPolarHBondContact O-CG2 3.1Å; F56-V180 PolarHBondContact O-N 2.88Å; N58-V180 HydrophobicContact CB-CG1 4.01Å
181	E	89.9	Confident	88.7	Confident	112 Å²	112	76 Å²	76	52%	0.523	45%	0.446	S	S	.	.	S	Bend	trans	-133.5	145	175.2	-66.5	175.3	-160.3	0	0	108.6	F56	F56-E181 HydrophobicContact CB-CB 4.29Å; F56-E181 HydrophobicContact CB-CG 4.37Å; F56-E181 WeakPolarHBondContact CD2-OE2 3.41Å
182	T	80	Confident	88.3	Confident	110 Å²	110	75.2 Å²	75.2	68%	0.675	44%	0.442	S	S	*	.			trans	-90	141.3	169.5	47.2	0	0	0	0	108.7
183	P	76.8	Confident	88.1	Confident	25 Å²	25	76.8 Å²	76.8	16%	0.162	44%	0.442	C	S	.	.			trans	-54.1	145.9	171	-24.3	33	0	0	0	110.3	H33 E161 L185	H33-P183 WeakPolarHBondContact CE1-CG 3.24Å; E161-P183 WeakPolarHBondContact OE1-CD 3.41Å; P183-L185 HydrophobicContact CB-CD2 4.03Å; P183-L185 HydrophobicContact CB-CG 4.17Å; P183-L185 PolarHBondContact O-N 3.33Å
184	A	81.5	Confident	87.8	Confident	99 Å²	99	77.8 Å²	77.8	82%	0.818	43%	0.43	S	S	*	.			trans	-70.9	70.4	176.9	0	0	0	0	0	111.1	G36	G36-A184 WeakPolarHBondContact CA-O 3.36Å
185	L	80	Confident	87.6	Confident	42 Å²	42	78.6 Å²	78.6	22%	0.22	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-78.4	132.7	178.1	-56.3	-178	0	0	0	109.5	R32 N157 F160 P183	R32-L185 HydrophobicContact CG-CD2 4.29Å; R32-L185 WeakPolarHBondContact O-CD2 3.39Å; N157-L185 HydrophobicContact CB-CD1 3.94Å; F160-L185 HydrophobicContact CD1-CD1 3.88Å; F160-L185 HydrophobicContact CD1-CD2 4.5Å; F160-L185 HydrophobicContact CE1-CD1 4.29Å; F160-L185 HydrophobicContact CE1-CD2 4.08Å; F160-L185 HydrophobicContact CG-CD1 4.17Å; F160-L185 HydrophobicContact CZ-CD2 4.38Å; P183-L185 HydrophobicContact CB-CD2 4.03Å; P183-L185 HydrophobicContact CB-CG 4.17Å; P183-L185 PolarHBondContact O-N 3.33Å
186	A	79	Confident	87.4	Confident	37 Å²	37	73.8 Å²	73.8	31%	0.306	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.3	153.2	169.2	0	0	0	0	0	109.4	R32 G36 N157	R32-A186 PolarHBondContact NH2-O 2.99Å; G36-A186 WeakPolarHBondContact O-CA 3.32Å; G36-A186 WeakPolarHBondContact O-CB 3.39Å; G36-A186 PolarHBondContact O-N 2.9Å; N157-A186 PolarHBondContact ND2-O 3.45Å
187	P	81.4	Confident	87	Confident	108 Å²	108	68 Å²	68	70%	0.701	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-50.5	146.1	176.3	-27.7	35.3	0	0	0	111.8	R32	R32-P187 PolarHBondContact NH2-O 2.95Å
188	P	80.6	Confident	86.8	Confident	50 Å²	50	73.7 Å²	73.7	33%	0.325	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-66.4	137.3	179	28.7	-34.7	0	0	0	110.6	S156 V190	S156-P188 WeakPolarHBondContact O-CB 3.42Å; P188-V190 PolarHBondContact O-N 3.25Å
189	E	78	Confident	86.5	Confident	93 Å²	93	75.3 Å²	75.3	44%	0.435	42%	0.424	S	S	.	.	S	Bend	trans	-77.1	-16.9	175.2	-62.3	-166.2	149.7	0	0	112.6	K40	K40-E189 WeakPolarHBondContact CE-OE1 3.46Å; K40-E189 WeakPolarHBondContact CE-OE2 3.07Å; K40-E189 IonicContact NZ-OE1 2.74Å; K40-E189 PolarHBondContact NZ-OE1 3.38Å; K40-E189 IonicContact NZ-OE2 3.39Å; K40-E189 PolarHBondContact NZ-OE2 3.12Å
190	V	84.8	Confident	86.3	Confident	37 Å²	37	74.5 Å²	74.5	22%	0.224	42%	0.42	C	S	.	.	S	Bend	trans	-137.9	144	179.4	-62.8	0	0	0	0	110	D128 K155 S156 P188	D128-V190 HydrophobicContact CB-CG2 3.82Å; K155-V190 HydrophobicContact CB-CG2 4.12Å; K155-V190 HydrophobicContact CD-CG1 4.08Å; K155-V190 HydrophobicContact CD-CG2 3.72Å; K155-V190 HydrophobicContact CG-CG2 3.73Å; S156-V190 VanDerWaalsContact CB-O 3.26Å; S156-V190 WeakPolarHBondContact CB-O 3.36Å; P188-V190 PolarHBondContact O-N 3.25Å
191	H	85.9	Confident	86	Confident	168 Å²	168	75.4 Å²	75.4	78%	0.778	42%	0.42	S	S	*	.			trans	-91.4	139.5	174.8	-63.7	86.3	0	0	0	109.6
192	I	89.2	Confident	86.1	Confident	26 Å²	26	72 Å²	72	13%	0.133	41%	0.411	C	S	.	.			trans	-74.4	137.7	169.5	-73	-52.4	0	0	0	110	V127 D128 S156 Y158 I194 Q197	V127-I192 HydrophobicContact CG2-CD1 4.14Å; D128-I192 HydrophobicContact CB-CD1 3.58Å; S156-I192 VanDerWaalsContact OG-CD1 3.23Å; S156-I192 WeakPolarHBondContact OG-CD1 3.17Å; S156-I192 WeakPolarHBondContact OG-CG1 3.36Å; Y158-I192 HydrophobicContact CD2-CG1 4.14Å; Y158-I192 HydrophobicContact CD2-CG2 4.21Å; Y158-I192 HydrophobicContact CE2-CG2 4.44Å; Y158-I192 HydrophobicContact CG-CG1 3.87Å; Y158-I192 HydrophobicContact CG-CG2 4.48Å; I192-I194 HydrophobicContact CB-CD1 4.45Å; I192-I194 HydrophobicContact CG2-CD1 4Å; I192-I194 PolarHBondContact O-N 2.98Å; I192-I194 VanDerWaalsContact O-N 3.15Å; I192-Q197 HydrophobicContact CG2-CB 4.35Å; I192-Q197 HydrophobicContact CG2-CG 3.23Å
193	D	90.7	Very high	86.6	Confident	95 Å²	95	69.2 Å²	69.2	51%	0.508	39%	0.39	S	S	.	.			trans	-74.5	97.4	164.4	-170.9	-26.9	0	0	0	109.4	A195 D196 Q197	D193-A195 PolarHBondContact O-N 3.38Å; D193-A195 WeakPolarHBondContact OD1-CB 3.35Å; D193-A195 PolarHBondContact OD1-N 3.46Å; D193-A195 VanDerWaalsContact OD1-N 3.12Å; D193-D196 HydrophobicContact CB-CB 4.03Å; D193-D196 PolarHBondContact O-N 3.01Å; D193-D196 PolarHBondContact OD1-N 2.97Å; D193-Q197 WeakPolarHBondContact O-CG 3.48Å; D193-Q197 PolarHBondContact O-N 3.42Å
194	I	90.2	Very high	87.2	Confident	93 Å²	93	69.6 Å²	69.6	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-33.4	-176.8	-60.3	-63.7	0	0	0	111.6	I192 Q197 Q198	I192-I194 HydrophobicContact CB-CD1 4.45Å; I192-I194 HydrophobicContact CG2-CD1 4Å; I192-I194 PolarHBondContact O-N 2.98Å; I192-I194 VanDerWaalsContact O-N 3.15Å; I194-Q197 PolarHBondContact O-N 3.22Å; I194-Q198 HydrophobicContact CG2-CG 4.26Å; I194-Q198 WeakPolarHBondContact O-CB 3.13Å; I194-Q198 VanDerWaalsContact O-CG 3.26Å; I194-Q198 WeakPolarHBondContact O-CG 3.36Å; I194-Q198 PolarHBondContact O-N 2.91Å
195	A	92.1	Very high	87.6	Confident	64 Å²	64	70.6 Å²	70.6	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-41.7	179.3	0	0	0	0	0	111	D193 Q198 K199	D193-A195 PolarHBondContact O-N 3.38Å; D193-A195 WeakPolarHBondContact OD1-CB 3.35Å; D193-A195 PolarHBondContact OD1-N 3.46Å; D193-A195 VanDerWaalsContact OD1-N 3.12Å; A195-Q198 PolarHBondContact O-N 3.25Å; A195-K199 PolarHBondContact O-N 3.43Å; A195-K199 VanDerWaalsContact O-N 3.08Å
196	D	90	Very high	88	Confident	65 Å²	65	75 Å²	75	35%	0.348	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-39.5	174.4	-170.1	59.6	0	0	0	111.9	D193 K199 N200	D193-D196 HydrophobicContact CB-CB 4.03Å; D193-D196 PolarHBondContact O-N 3.01Å; D193-D196 PolarHBondContact OD1-N 2.97Å; D196-K199 WeakPolarHBondContact O-CB 3.44Å; D196-K199 PolarHBondContact O-N 3.37Å; D196-N200 PolarHBondContact O-N 2.92Å; D196-N200 PolarHBondContact O-ND2 2.7Å; D196-N200 PolarHBondContact OD2-ND2 3.46Å
197	Q	90.6	Very high	88.4	Confident	5 Å²	5	74.2 Å²	74.2	2%	0.023	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-40.5	176.3	-63.3	-48.4	-57	0	0	113.1	V127 Y158 I192 D193 I194 K199 N200 E201	V127-Q197 PolarHBondContact O-NE2 3.02Å; Y158-Q197 HydrophobicContact CE1-CB 4.49Å; Y158-Q197 HydrophobicContact CE1-CG 4.07Å; Y158-Q197 HydrophobicContact CE2-CG 4.4Å; I192-Q197 HydrophobicContact CG2-CB 4.35Å; I192-Q197 HydrophobicContact CG2-CG 3.23Å; D193-Q197 WeakPolarHBondContact O-CG 3.48Å; D193-Q197 PolarHBondContact O-N 3.42Å; I194-Q197 PolarHBondContact O-N 3.22Å; Q197-K199 VanDerWaalsContact C-N 3.26Å; Q197-K199 PolarHBondContact O-N 3.16Å; Q197-N200 PolarHBondContact O-N 3Å; Q197-E201 WeakPolarHBondContact O-CB 3.35Å; Q197-E201 PolarHBondContact O-N 3.41Å
198	Q	91.6	Very high	88.5	Confident	123 Å²	123	71.4 Å²	71.4	58%	0.575	38%	0.381	S	S	*	.	H	α-helix	trans	-61.1	-38.3	174.6	-76.2	174	-11.5	0	0	111.4	I194 A195 E201 A202	I194-Q198 HydrophobicContact CG2-CG 4.26Å; I194-Q198 WeakPolarHBondContact O-CB 3.13Å; I194-Q198 VanDerWaalsContact O-CG 3.26Å; I194-Q198 WeakPolarHBondContact O-CG 3.36Å; I194-Q198 PolarHBondContact O-N 2.91Å; A195-Q198 PolarHBondContact O-N 3.25Å; Q198-E201 PolarHBondContact O-N 3.39Å; Q198-A202 WeakPolarHBondContact O-CB 3.49Å; Q198-A202 PolarHBondContact O-N 2.96Å
199	K	92.4	Very high	88.6	Confident	122 Å²	122	72.9 Å²	72.9	53%	0.53	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-47.3	172.8	-176.7	-172.7	172.4	-169.5	0	111.6	A195 D196 Q197 E201 A202 E203	A195-K199 PolarHBondContact O-N 3.43Å; A195-K199 VanDerWaalsContact O-N 3.08Å; D196-K199 WeakPolarHBondContact O-CB 3.44Å; D196-K199 PolarHBondContact O-N 3.37Å; Q197-K199 VanDerWaalsContact C-N 3.26Å; Q197-K199 PolarHBondContact O-N 3.16Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 2.76Å; K199-A202 PolarHBondContact O-N 2.9Å; K199-E203 WeakPolarHBondContact CE-OE1 3.34Å; K199-E203 WeakPolarHBondContact O-CG 3.27Å; K199-E203 PolarHBondContact O-N 2.96Å
200	N	90.9	Very high	88.9	Confident	10 Å²	10	74.3 Å²	74.3	5%	0.053	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-41.1	177.3	-70	-39	0	0	0	111.8	R132 A136 D196 Q197 E203 L204	R132-N200 VanDerWaalsContact NH1-CG 3.31Å; R132-N200 PolarHBondContact NH1-ND2 3.5Å; R132-N200 VanDerWaalsContact NH1-ND2 3.17Å; A136-N200 HydrophobicContact CB-CB 4.32Å; A136-N200 WeakPolarHBondContact CB-O 3.29Å; D196-N200 PolarHBondContact O-N 2.92Å; D196-N200 PolarHBondContact O-ND2 2.7Å; D196-N200 PolarHBondContact OD2-ND2 3.46Å; Q197-N200 PolarHBondContact O-N 3Å; N200-E203 PolarHBondContact O-N 3.48Å; N200-L204 WeakPolarHBondContact O-CG 3.31Å; N200-L204 PolarHBondContact O-N 3.05Å
201	E	90.9	Very high	88.9	Confident	100 Å²	100	77.7 Å²	77.7	47%	0.467	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-42.4	175.6	-173.6	169.2	-156.3	0	0	111.9	Q197 Q198 K199 E203 L204 L205	Q197-E201 WeakPolarHBondContact O-CB 3.35Å; Q197-E201 PolarHBondContact O-N 3.41Å; Q198-E201 PolarHBondContact O-N 3.39Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 2.76Å; E201-E203 PolarHBondContact O-N 3Å; E201-L204 PolarHBondContact O-N 2.75Å; E201-L205 HydrophobicContact CG-CD1 4.46Å; E201-L205 WeakPolarHBondContact O-CG 3.47Å; E201-L205 PolarHBondContact O-N 3.4Å
202	A	92.4	Very high	88.7	Confident	41 Å²	41	72.9 Å²	72.9	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-41.4	173.6	0	0	0	0	0	112.1	Q198 K199 L205 Q206	Q198-A202 WeakPolarHBondContact O-CB 3.49Å; Q198-A202 PolarHBondContact O-N 2.96Å; K199-A202 PolarHBondContact O-N 2.9Å; A202-L205 PolarHBondContact O-N 3.24Å; A202-Q206 WeakPolarHBondContact O-CB 3.36Å; A202-Q206 VanDerWaalsContact O-CG 3.27Å; A202-Q206 WeakPolarHBondContact O-CG 3.3Å; A202-Q206 PolarHBondContact O-N 3.11Å
203	E	90.5	Very high	88.1	Confident	50 Å²	50	73.8 Å²	73.8	23%	0.234	41%	0.413	C	S	.	.	H	α-helix	trans	-63.4	-39.5	174.8	-74.3	-175.9	-167.6	0	0	112.1	A136 K199 N200 E201 Q206 A207	A136-E203 HydrophobicContact CB-CB 3.79Å; K199-E203 WeakPolarHBondContact CE-OE1 3.34Å; K199-E203 WeakPolarHBondContact O-CG 3.27Å; K199-E203 PolarHBondContact O-N 2.96Å; N200-E203 PolarHBondContact O-N 3.48Å; E201-E203 PolarHBondContact O-N 3Å; E203-Q206 PolarHBondContact O-N 3.2Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.26Å; E203-A207 PolarHBondContact O-N 3.24Å
204	L	88.5	Confident	87.2	Confident	33 Å²	33	76 Å²	76	17%	0.173	43%	0.425	C	S	.	.	H	α-helix	trans	-63.3	-44.9	174.4	-73.6	167.9	0	0	0	111.8	A136 V139 Y149 E151 N200 E201 A207 A208	A136-L204 HydrophobicContact CB-CD2 4.02Å; A136-L204 HydrophobicContact CB-CG 3.82Å; A136-L204 VanDerWaalsContact O-CD2 3.25Å; A136-L204 WeakPolarHBondContact O-CD2 3.44Å; V139-L204 HydrophobicContact CB-CD2 4.5Å; Y149-L204 HydrophobicContact CD1-CD1 4.1Å; Y149-L204 HydrophobicContact CD1-CD2 4.06Å; Y149-L204 HydrophobicContact CE1-CD1 3.6Å; Y149-L204 HydrophobicContact CE1-CD2 3.61Å; Y149-L204 HydrophobicContact CE1-CG 4.26Å; E151-L204 HydrophobicContact CG-CD1 4.48Å; N200-L204 WeakPolarHBondContact O-CG 3.31Å; N200-L204 PolarHBondContact O-N 3.05Å; E201-L204 PolarHBondContact O-N 2.75Å; L204-A207 PolarHBondContact O-N 3.45Å; L204-A208 WeakPolarHBondContact O-CB 3.32Å; L204-A208 PolarHBondContact O-N 2.8Å
205	L	89.2	Confident	85.8	Confident	121 Å²	121	78.2 Å²	78.2	63%	0.634	44%	0.438	S	S	*	.	H	α-helix	trans	-63.8	-42.4	177.9	-72.6	170.3	0	0	0	111.8	E201 A202 A208 A209	E201-L205 HydrophobicContact CG-CD1 4.46Å; E201-L205 WeakPolarHBondContact O-CG 3.47Å; E201-L205 PolarHBondContact O-N 3.4Å; A202-L205 PolarHBondContact O-N 3.24Å; L205-A208 PolarHBondContact O-N 3.03Å; L205-A209 PolarHBondContact O-N 2.87Å
206	Q	90	Very high	83.8	Confident	133 Å²	133	82.5 Å²	82.5	62%	0.621	45%	0.452	S	S	*	.	H	α-helix	trans	-63.8	-44.5	175.1	-73	173.9	16.3	0	0	111.6	A202 E203 A208 A209	A202-Q206 WeakPolarHBondContact O-CB 3.36Å; A202-Q206 VanDerWaalsContact O-CG 3.27Å; A202-Q206 WeakPolarHBondContact O-CG 3.3Å; A202-Q206 PolarHBondContact O-N 3.11Å; E203-Q206 PolarHBondContact O-N 3.2Å; Q206-A208 VanDerWaalsContact C-N 3.29Å; Q206-A208 PolarHBondContact O-N 3.07Å; Q206-A209 WeakPolarHBondContact O-CB 3.23Å; Q206-A209 PolarHBondContact O-N 3.31Å
207	A	86	Confident	81.9	Confident	21 Å²	21	82.7 Å²	82.7	17%	0.174	45%	0.453	C	S	.	.	H	α-helix	trans	-64.5	-34.2	177.1	0	0	0	0	0	112.1	K137 R143 E203 L204 A209 Q210	K137-A207 HydrophobicContact CB-CB 4.29Å; R143-A207 PolarHBondContact NH1-O 3.4Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.26Å; E203-A207 PolarHBondContact O-N 3.24Å; L204-A207 PolarHBondContact O-N 3.45Å; A207-A209 PolarHBondContact O-N 3.39Å; A207-Q210 PolarHBondContact O-N 2.98Å; A207-Q210 VanDerWaalsContact O-N 3.16Å
208	A	83.6	Confident	79.8	Confident	50 Å²	50	88.8 Å²	88.8	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-28	175.7	0	0	0	0	0	113.1	R143 L204 L205 Q206	R143-A208 PolarHBondContact NH2-O 3.13Å; L204-A208 WeakPolarHBondContact O-CB 3.32Å; L204-A208 PolarHBondContact O-N 2.8Å; L205-A208 PolarHBondContact O-N 3.03Å; Q206-A208 VanDerWaalsContact C-N 3.29Å; Q206-A208 PolarHBondContact O-N 3.07Å
209	A	83.3	Confident	78.1	Confident	81 Å²	81	85.5 Å²	85.5	67%	0.669	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.6	176	0	0	0	0	0	113.9	L205 Q206 A207	L205-A209 PolarHBondContact O-N 2.87Å; Q206-A209 WeakPolarHBondContact O-CB 3.23Å; Q206-A209 PolarHBondContact O-N 3.31Å; A207-A209 PolarHBondContact O-N 3.39Å
210	Q	84.8	Confident	76.1	Confident	123 Å²	123	81.9 Å²	81.9	58%	0.575	46%	0.456	S	S	*	.	S	Bend	trans	-90.7	151.3	178.4	-63.8	-59.2	-38.6	0	0	111.6	R143 A207	R143-Q210 PolarHBondContact NH1-O 3.1Å; R143-Q210 PolarHBondContact NH2-O 3.11Å; A207-Q210 PolarHBondContact O-N 2.98Å; A207-Q210 VanDerWaalsContact O-N 3.16Å
211	P	84	Confident	73.6	Confident	108 Å²	108	92.1 Å²	92.1	70%	0.701	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-50.5	148.3	169.2	-24.8	34.3	0	0	0	111.6
212	L	81.9	Confident	72.8	Confident	66 Å²	66	91.7 Å²	91.7	35%	0.346	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-67.8	138.9	172.4	-72.1	165.6	0	0	0	108.8	R143 K144	R143-L212 HydrophobicContact CB-CD1 4.35Å; R143-L212 HydrophobicContact CB-CD2 3.66Å; R143-L212 HydrophobicContact CG-CD2 4.42Å; K144-L212 HydrophobicContact CG-CD1 4.02Å; K144-L212 HydrophobicContact CG-CD2 4.16Å
213	P	76.5	Confident	71.7	Confident	45 Å²	45	94.4 Å²	94.4	29%	0.292	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-60.5	140	171.7	26.8	-33.1	0	0	0	109.3	T140 K144 D217 I219	T140-P213 HydrophobicContact CG2-CG 4.41Å; K144-P213 PolarHBondContact NZ-O 2.99Å; P213-D217 WeakPolarHBondContact CB-OD2 3.42Å; P213-D217 WeakPolarHBondContact CG-OD2 3.39Å; P213-I219 HydrophobicContact CG-CD1 4.45Å
214	D	70.9	Confident	70.7	Confident	141 Å²	141	96.8 Å²	96.8	75%	0.754	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-55.4	148.5	172.3	-68.6	-37.2	0	0	0	109.3	D216	D214-D216 PolarHBondContact O-N 3.24Å
215	D	61.7	Low	69.6	Low	140 Å²	140	100.6 Å²	100.6	75%	0.749	55%	0.551	S	S	*	*	S	Bend	trans	-66.3	14.6	-168.7	-80.5	-33.8	0	0	0	115.6	K144 D217	K144-D215 IonicContact NZ-OD1 3.38Å; K144-D215 PolarHBondContact NZ-OD1 2.78Å; D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact O-N 3.4Å
216	D	49.5	Very low	68.4	Low	155 Å²	155	99.3 Å²	99.3	83%	0.829	55%	0.545	S	S	*	.			trans	-94.5	39.2	179.4	-68.4	-28.4	0	0	0	113	D214 D218	D214-D216 PolarHBondContact O-N 3.24Å; D216-D218 PolarHBondContact O-N 2.89Å; D216-D218 VanDerWaalsContact O-N 3.11Å
217	D	50	Low	67	Low	68 Å²	68	97.1 Å²	97.1	36%	0.364	54%	0.54	S	S	.	.			trans	-89	83.7	-169.3	-83.1	-34.1	0	0	0	112.7	K144 P213 D215 I219	K144-D217 IonicContact NZ-OD2 2.74Å; P213-D217 WeakPolarHBondContact CB-OD2 3.42Å; P213-D217 WeakPolarHBondContact CG-OD2 3.39Å; D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact O-N 3.4Å; D217-I219 HydrophobicContact CB-CB 4.15Å; D217-I219 HydrophobicContact CB-CD1 3.5Å; D217-I219 VanDerWaalsContact CB-CD1 3.5Å; D217-I219 HydrophobicContact CB-CG1 3.46Å; D217-I219 VanDerWaalsContact CB-CG1 3.46Å; D217-I219 PolarHBondContact O-N 3.36Å; D217-I219 WeakPolarHBondContact OD1-CD1 3.46Å; D217-I219 VanDerWaalsContact OD1-CG1 3.27Å; D217-I219 WeakPolarHBondContact OD1-CG1 3.5Å; D217-I219 WeakPolarHBondContact OD2-CD1 3.38Å
218	D	47.6	Very low	65.6	Low	134 Å²	134	102.5 Å²	102.5	72%	0.717	57%	0.567	S	S	*	*			trans	-62	51.1	140.4	-78.6	-39.6	0	0	0	110.4	D216 F220	D216-D218 PolarHBondContact O-N 2.89Å; D216-D218 VanDerWaalsContact O-N 3.11Å; D218-F220 PolarHBondContact O-N 3.44Å
219	I	55.6	Low	64.2	Low	53 Å²	53	106.5 Å²	106.5	27%	0.272	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.7	177.8	-81.7	171.9	0	0	0	111.9	Q138 P213 D217	Q138-I219 HydrophobicContact CB-CG2 4.42Å; Q138-I219 HydrophobicContact CG-CG2 4.23Å; P213-I219 HydrophobicContact CG-CD1 4.45Å; D217-I219 HydrophobicContact CB-CB 4.15Å; D217-I219 HydrophobicContact CB-CD1 3.5Å; D217-I219 VanDerWaalsContact CB-CD1 3.5Å; D217-I219 HydrophobicContact CB-CG1 3.46Å; D217-I219 VanDerWaalsContact CB-CG1 3.46Å; D217-I219 PolarHBondContact O-N 3.36Å; D217-I219 WeakPolarHBondContact OD1-CD1 3.46Å; D217-I219 VanDerWaalsContact OD1-CG1 3.27Å; D217-I219 WeakPolarHBondContact OD1-CG1 3.5Å; D217-I219 WeakPolarHBondContact OD2-CD1 3.38Å
220	F	50.3	Low	62.6	Low	47 Å²	47	108.7 Å²	108.7	21%	0.206	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-134.6	67.9	-177.7	-52.4	-71.4	0	0	0	111.3	R98 Y101 D218	R98-F220 HydrophobicContact CB-CD1 4.35Å; R98-F220 HydrophobicContact CB-CE1 4.49Å; R98-F220 HydrophobicContact CG-CD1 4.31Å; R98-F220 HydrophobicContact CG-CE1 4.4Å; Y101-F220 AromaticContact CD1-CE2 4Å; Y101-F220 HydrophobicContact CD1-CE2 4Å; Y101-F220 AromaticContact CD1-CZ 3.76Å; Y101-F220 HydrophobicContact CD1-CZ 3.76Å; Y101-F220 HydrophobicContact CE1-CE2 4.39Å; Y101-F220 HydrophobicContact CE1-CZ 4.22Å; D218-F220 PolarHBondContact O-N 3.44Å
221	E	39	Very low	60.6	Low	224 Å²	224	107.4 Å²	107.4	100%	1.047	57%	0.57	S	S	*	*			trans	-74.6	0	143.4	-72.1	-168.8	160.1	0	0	110.9

Retrieved 221 of 221 residues in 86.9 ms (Link to these results)

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