A0A5K4F715_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F715, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>A0A5K4F715_SCHMA|A0A5K4F715
MGEWLRILCVQSIVFGYSLCYTTLISPIHSTNNRGDLLTMKQLIKNFYISLPNFKIKINKNLINKFTGKHLCLTSKVEVLFQSSKVKHVIYHTKFKFKIHMATISKNTNLKSPLICQRIL
					

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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	50.3	Low	57.3	Low	210 Å²	210	48.2 Å²	48.2	100%	1.034	24%	0.241	S	C	*	.				0	116.6	0	-73.6	177.2	169.2	0	0	107.9	P27	M1-P27 HydrophobicContact CB-CB 4.16Å; M1-P27 HydrophobicContact CB-CG 4.03Å
2	G	54.3	Low	57.4	Low	38 Å²	38	44.5 Å²	44.5	39%	0.392	22%	0.224	S	C	.	.			trans	-72.2	139	-178.3	0	0	0	0	0	111.7	W4	G2-W4 PolarHBondContact O-NE1 3.09Å
3	E	55.2	Low	57.6	Low	90 Å²	90	46.5 Å²	46.5	42%	0.421	23%	0.234	S	C	.	.			trans	-67.2	142.5	171.4	-67.4	-178.7	173.3	0	0	109.9	L24 K106	E3-L24 HydrophobicContact CB-CD2 4.15Å; E3-K106 HydrophobicContact CB-CB 3.97Å; E3-K106 HydrophobicContact CB-CD 3.68Å; E3-K106 HydrophobicContact CB-CG 4.48Å; E3-K106 HydrophobicContact CG-CD 4.43Å; E3-K106 WeakPolarHBondContact O-CB 3.22Å; E3-K106 PolarHBondContact O-N 2.89Å; E3-K106 WeakPolarHBondContact OE2-CD 3.3Å; E3-K106 VanDerWaalsContact OE2-CE 3.28Å; E3-K106 WeakPolarHBondContact OE2-CE 3.33Å; E3-K106 IonicContact OE2-NZ 3.1Å; E3-K106 PolarHBondContact OE2-NZ 2.77Å
4	W	57.3	Low	57	Low	98 Å²	98	49.2 Å²	49.2	37%	0.371	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.1	179.7	-65	83.3	0	0	0	109.6	G2 I25 T103	G2-W4 PolarHBondContact O-NE1 3.09Å; W4-I25 HydrophobicContact CB-CB 4.43Å; W4-I25 PolarHBondContact N-O 3.5Å; W4-I25 PolarHBondContact O-N 3.37Å; W4-T103 HydrophobicContact CB-CG2 4.35Å; W4-T103 HydrophobicContact CE3-CG2 4.33Å
5	L	57.6	Low	56.8	Low	15 Å²	15	50.7 Å²	50.7	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.3	176.4	-96.2	149	0	0	0	108.8	T23 L24 T103 I104 K106 L110	L5-T23 CarbonylContact C-O 3.51Å; L5-T23 WeakPolarHBondContact CA-O 3.3Å; L5-L24 HydrophobicContact CD2-CG 4.21Å; L5-L24 HydrophobicContact CG-CD2 4.31Å; L5-L24 HydrophobicContact CG-CG 4.29Å; L5-T103 CarbonylContact O-C 3.57Å; L5-T103 WeakPolarHBondContact O-CA 3.38Å; L5-I104 PolarHBondContact N-O 3.4Å; L5-I104 PolarHBondContact O-N 3.47Å; L5-K106 HydrophobicContact CD1-CB 4.2Å; L5-K106 HydrophobicContact CD1-CG 3.88Å; L5-L110 HydrophobicContact CD1-CD1 3.29Å; L5-L110 HydrophobicContact CD1-CD2 4.04Å; L5-L110 HydrophobicContact CD1-CG 4.32Å
6	R	57	Low	56.5	Low	18 Å²	18	50.8 Å²	50.8	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.9	165	-109.1	-177.7	-158.1	-175.4	-6	110.4	T22 T23 I25 D36 A102 T103	R6-T22 CarbonylContact O-C 3.55Å; R6-T22 WeakPolarHBondContact O-CA 3.41Å; R6-T23 HydrophobicContact CB-CG2 3.98Å; R6-T23 PolarHBondContact N-O 3.17Å; R6-T23 WeakPolarHBondContact O-CG2 3.07Å; R6-T23 PolarHBondContact O-N 3.36Å; R6-I25 HydrophobicContact CB-CD1 3.47Å; R6-I25 VanDerWaalsContact CB-CD1 3.47Å; R6-I25 HydrophobicContact CB-CG1 4.06Å; R6-I25 HydrophobicContact CG-CD1 3.33Å; R6-I25 HydrophobicContact CG-CG1 4.39Å; R6-D36 VanDerWaalsContact CZ-CB 3.42Å; R6-D36 IonicContact CZ-OD1 3.86Å; R6-D36 IonicContact CZ-OD2 2.7Å; R6-D36 IonicContact NE-OD1 2.56Å; R6-D36 IonicContact NE-OD2 3.46Å; R6-D36 VanDerWaalsContact NH1-C 3.35Å; R6-D36 VanDerWaalsContact NH1-CG 3.32Å; R6-D36 PolarHBondContact NH1-O 3.03Å; R6-D36 IonicContact NH1-OD1 3.66Å; R6-D36 IonicContact NH1-OD2 3.56Å; R6-D36 VanDerWaalsContact NH2-CB 3.35Å; R6-D36 IonicContact NH2-OD1 3.57Å; R6-D36 IonicContact NH2-OD2 3.73Å; R6-D36 PolarHBondContact NH2-OD2 3.12Å; R6-A102 CarbonylContact C-O 3.59Å; R6-A102 WeakPolarHBondContact CA-O 3.45Å; R6-T103 HydrophobicContact CG-CG2 3.94Å; R6-T103 WeakPolarHBondContact CG-OG1 3.37Å; R6-T103 PolarHBondContact NE-OG1 3.21Å
7	I	60	Low	56.5	Low	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.1	-177.4	-50.8	-175	0	0	0	107.1	C20 Y21 T22 M101 A102 I104 I115 I119	I7-C20 HydrophobicContact CG2-CB 4.31Å; I7-Y21 CarbonylContact C-O 3.59Å; I7-Y21 VanDerWaalsContact CA-O 3.3Å; I7-Y21 WeakPolarHBondContact CA-O 3.42Å; I7-T22 HydrophobicContact CB-CG2 4.33Å; I7-T22 HydrophobicContact CD1-CG2 3.98Å; I7-T22 HydrophobicContact CG1-CG2 3.77Å; I7-T22 HydrophobicContact CG2-CG2 3.98Å; I7-M101 CarbonylContact O-C 3.58Å; I7-M101 VanDerWaalsContact O-CA 3.29Å; I7-M101 WeakPolarHBondContact O-CA 3.23Å; I7-A102 PolarHBondContact N-O 3Å; I7-A102 PolarHBondContact O-N 2.96Å; I7-I104 HydrophobicContact CD1-CD1 3.67Å; I7-I104 HydrophobicContact CD1-CG1 4.34Å; I7-I115 HydrophobicContact CD1-CB 4.36Å; I7-I115 HydrophobicContact CD1-CD1 4.33Å; I7-I115 HydrophobicContact CD1-CG2 3.29Å; I7-I115 HydrophobicContact CG2-CG2 4.42Å; I7-I119 HydrophobicContact CB-CD1 3.78Å; I7-I119 HydrophobicContact CD1-CD1 4.28Å; I7-I119 HydrophobicContact CG2-CD1 3.57Å
8	L	60.7	Low	56.3	Low	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.2	173.4	-173.8	78.8	0	0	0	108.4	V10 C20 Y21 M40 F47 I63 I99 H100 M101	L8-V10 HydrophobicContact CD2-CG2 4.33Å; L8-C20 CarbonylContact O-C 3.57Å; L8-C20 VanDerWaalsContact O-CA 3.23Å; L8-C20 WeakPolarHBondContact O-CA 3.22Å; L8-Y21 PolarHBondContact N-O 3.3Å; L8-Y21 PolarHBondContact O-N 2.96Å; L8-M40 HydrophobicContact CB-CE 3.7Å; L8-M40 HydrophobicContact CB-SD 4.34Å; L8-M40 HydrophobicContact CD1-CE 3.45Å; L8-M40 VanDerWaalsContact CD1-CE 3.45Å; L8-M40 HydrophobicContact CD2-CE 3.85Å; L8-M40 HydrophobicContact CG-CE 3.82Å; L8-F47 HydrophobicContact CD2-CD2 4.26Å; L8-F47 HydrophobicContact CD2-CE2 3.5Å; L8-F47 HydrophobicContact CD2-CZ 3.91Å; L8-I63 HydrophobicContact CD1-CG2 4.17Å; L8-I63 HydrophobicContact CD2-CG2 4.5Å; L8-I99 HydrophobicContact CD1-CG2 3.55Å; L8-I99 HydrophobicContact CG-CG2 4.3Å; L8-H100 CarbonylContact C-O 3.44Å; L8-H100 WeakPolarHBondContact CA-O 3.4Å; L8-M101 HydrophobicContact CD1-CB 4.08Å; L8-M101 HydrophobicContact CD1-CG 4.16Å; L8-M101 HydrophobicContact CD1-SD 4.42Å
9	C	58.3	Low	56.3	Low	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.5	173.5	-71.8	0	0	0	0	110.3	L19 C20 I99 H100 I119 L120	C9-L19 CarbonylContact C-O 3.53Å; C9-L19 WeakPolarHBondContact CA-O 3.3Å; C9-C20 WeakPolarHBondContact CA-SG 3.31Å; C9-C20 HydrophobicContact CB-CB 4.07Å; C9-C20 WeakPolarHBondContact CB-SG 3.29Å; C9-C20 WeakPolarHBondContact SG-CB 3.46Å; C9-C20 CovalentContact SG-SG 2.02Å; C9-C20 PolarHBondContact SG-SG 3.49Å; C9-I99 CarbonylContact O-C 3.51Å; C9-I99 WeakPolarHBondContact O-CA 3.13Å; C9-H100 HydrophobicContact CB-CB 4.22Å; C9-H100 PolarHBondContact N-O 3.32Å; C9-H100 PolarHBondContact O-N 2.79Å; C9-I119 HydrophobicContact CB-CG2 3.9Å; C9-L120 HydrophobicContact CB-CD1 4.46Å; C9-L120 HydrophobicContact CB-CD2 3.88Å; C9-L120 HydrophobicContact CB-CG 4.09Å
10	V	59.2	Low	56.1	Low	3 Å²	3	55.5 Å²	55.5	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.4	172.1	-178	0	0	0	0	108	L8 S18 L19 F47 I49 F97 K98 I99	L8-V10 HydrophobicContact CD2-CG2 4.33Å; V10-S18 WeakPolarHBondContact O-CA 3.49Å; V10-L19 PolarHBondContact N-O 2.8Å; V10-L19 PolarHBondContact O-N 3.37Å; V10-F47 HydrophobicContact CB-CE1 4.06Å; V10-F47 HydrophobicContact CB-CZ 4.27Å; V10-F47 HydrophobicContact CG2-CE1 3.54Å; V10-F47 HydrophobicContact CG2-CZ 3.5Å; V10-I49 HydrophobicContact CG1-CD1 3.89Å; V10-F97 HydrophobicContact CG1-CB 4.21Å; V10-F97 HydrophobicContact CG1-CD1 4.14Å; V10-F97 HydrophobicContact CG1-CG 4.42Å; V10-K98 CarbonylContact C-O 3.52Å; V10-K98 WeakPolarHBondContact CA-O 3.02Å; V10-I99 HydrophobicContact CG1-CG1 4.36Å; V10-I99 HydrophobicContact CG2-CD1 4.35Å; V10-I99 HydrophobicContact CG2-CG1 4.13Å; V10-I99 HydrophobicContact CG2-CG2 4.32Å
11	Q	60	Low	56.1	Low	54 Å²	54	57.2 Å²	57.2	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.9	175.6	-172.2	179.2	12.3	0	0	109.6	F97 K98 L120	Q11-F97 CarbonylContact O-C 3.54Å; Q11-F97 WeakPolarHBondContact O-CA 3.3Å; Q11-K98 HydrophobicContact CB-CB 4.29Å; Q11-K98 PolarHBondContact N-O 2.81Å; Q11-K98 PolarHBondContact O-N 3.35Å; Q11-L120 HydrophobicContact CB-CD1 4.09Å; Q11-L120 HydrophobicContact CB-CD2 3.7Å; Q11-L120 HydrophobicContact CG-CD1 4.39Å
12	S	58.7	Low	56	Low	4 Å²	4	51.5 Å²	51.5	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.3	165.8	179.8	0	0	0	0	109	V14 F15 G16 Y17	S12-V14 VanDerWaalsContact C-N 3.3Å; S12-F15 VanDerWaalsContact OG-CD2 3.3Å; S12-F15 WeakPolarHBondContact OG-CD2 3.19Å; S12-F15 PolarHBondContact OG-N 3.06Å; S12-G16 WeakPolarHBondContact O-CA 3.19Å; S12-G16 PolarHBondContact O-N 3.27Å; S12-Y17 PolarHBondContact N-O 2.79Å
13	I	60.5	Low	55.9	Low	71 Å²	71	50.5 Å²	50.5	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.5	176.7	-56.6	-175.8	0	0	0	110.1	H70 K96 K98	I13-H70 VanDerWaalsContact CD1-CE1 3.46Å; I13-H70 WeakPolarHBondContact CD1-CE1 3.23Å; I13-H70 WeakPolarHBondContact CD1-ND1 3.46Å; I13-K96 HydrophobicContact CB-CB 3.93Å; I13-K96 WeakPolarHBondContact CB-O 3.35Å; I13-K96 HydrophobicContact CD1-CB 4.11Å; I13-K96 HydrophobicContact CG1-CB 4.32Å; I13-K96 PolarHBondContact N-O 3.16Å; I13-K98 HydrophobicContact CD1-CB 4.44Å
14	V	49	Very low	55.5	Low	84 Å²	84	50.6 Å²	50.6	51%	0.509	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36	-176.9	-178.3	0	0	0	0	111.6	S12 K96	S12-V14 VanDerWaalsContact C-N 3.3Å; V14-K96 HydrophobicContact CG2-CB 4.37Å
15	F	53.6	Low	55	Low	72 Å²	72	46.1 Å²	46.1	32%	0.316	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-5.1	-173.9	-59.9	-64.2	0	0	0	113.9	S12 Y17 L51 F54 F95	S12-F15 VanDerWaalsContact OG-CD2 3.3Å; S12-F15 WeakPolarHBondContact OG-CD2 3.19Å; S12-F15 PolarHBondContact OG-N 3.06Å; F15-Y17 HydrophobicContact CB-CD2 3.4Å; F15-Y17 HydrophobicContact CB-CE2 3.68Å; F15-Y17 HydrophobicContact CB-CG 4.48Å; F15-Y17 HydrophobicContact CG-CD2 4.46Å; F15-Y17 VanDerWaalsContact O-CD2 3.24Å; F15-Y17 WeakPolarHBondContact O-CD2 3.18Å; F15-Y17 VanDerWaalsContact O-CE2 3.27Å; F15-Y17 WeakPolarHBondContact O-CE2 3.28Å; F15-Y17 PolarHBondContact O-N 3.13Å; F15-L51 HydrophobicContact CB-CD2 4.39Å; F15-L51 HydrophobicContact CD2-CD2 4.19Å; F15-L51 HydrophobicContact CG-CD2 4.4Å; F15-F54 HydrophobicContact CD2-CE2 4.15Å; F15-F54 HydrophobicContact CE1-CE2 4.36Å; F15-F54 HydrophobicContact CE1-CZ 4.12Å; F15-F54 AromaticContact CE2-CE2 3.6Å; F15-F54 HydrophobicContact CE2-CE2 3.6Å; F15-F54 HydrophobicContact CE2-CZ 4.18Å; F15-F54 AromaticContact CZ-CE2 3.72Å; F15-F54 HydrophobicContact CZ-CE2 3.72Å; F15-F54 AromaticContact CZ-CZ 3.88Å; F15-F54 HydrophobicContact CZ-CZ 3.88Å; F15-F95 AromaticContact CE2-CD1 3.74Å; F15-F95 HydrophobicContact CE2-CD1 3.74Å; F15-F95 AromaticContact CE2-CE1 3.38Å; F15-F95 HydrophobicContact CE2-CE1 3.38Å; F15-F95 HydrophobicContact CZ-CD1 4.4Å; F15-F95 AromaticContact CZ-CE1 3.67Å; F15-F95 HydrophobicContact CZ-CE1 3.67Å
16	G	53.1	Low	54.2	Low	52 Å²	52	49.1 Å²	49.1	54%	0.536	27%	0.271	S	S	.	.			trans	70.2	-6.4	-177.6	0	0	0	0	0	115.1	S12	S12-G16 WeakPolarHBondContact O-CA 3.19Å; S12-G16 PolarHBondContact O-N 3.27Å
17	Y	56.4	Low	53.3	Low	145 Å²	145	49.8 Å²	49.8	57%	0.569	28%	0.278	S	S	*	.			trans	-82.4	140.7	179.4	-51.3	-67	0	0	0	112.4	S12 F15 L51	S12-Y17 PolarHBondContact N-O 2.79Å; F15-Y17 HydrophobicContact CB-CD2 3.4Å; F15-Y17 HydrophobicContact CB-CE2 3.68Å; F15-Y17 HydrophobicContact CB-CG 4.48Å; F15-Y17 HydrophobicContact CG-CD2 4.46Å; F15-Y17 VanDerWaalsContact O-CD2 3.24Å; F15-Y17 WeakPolarHBondContact O-CD2 3.18Å; F15-Y17 VanDerWaalsContact O-CE2 3.27Å; F15-Y17 WeakPolarHBondContact O-CE2 3.28Å; F15-Y17 PolarHBondContact O-N 3.13Å; Y17-L51 HydrophobicContact CD2-CD2 3.48Å; Y17-L51 VanDerWaalsContact CD2-CD2 3.48Å; Y17-L51 HydrophobicContact CE2-CD2 4.04Å; Y17-L51 HydrophobicContact CG-CD2 4.36Å
18	S	52	Low	52.5	Low	60 Å²	60	56.2 Å²	56.2	42%	0.42	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.8	176.1	38.4	0	0	0	0	111	V10	V10-S18 WeakPolarHBondContact O-CA 3.49Å
19	L	55.7	Low	51.5	Low	60 Å²	60	61 Å²	61	31%	0.314	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	175.6	-134.9	97.2	0	0	0	109.3	C9 V10 Y21	C9-L19 CarbonylContact C-O 3.53Å; C9-L19 WeakPolarHBondContact CA-O 3.3Å; V10-L19 PolarHBondContact N-O 2.8Å; V10-L19 PolarHBondContact O-N 3.37Å; L19-Y21 HydrophobicContact CD2-CD2 4.42Å; L19-Y21 HydrophobicContact CD2-CE2 3.42Å; L19-Y21 VanDerWaalsContact CD2-CE2 3.42Å; L19-Y21 VanDerWaalsContact CD2-CZ 3.48Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.44Å; L19-Y21 HydrophobicContact CG-CE2 4.48Å
20	C	52.7	Low	50.6	Low	32 Å²	32	62.8 Å²	62.8	22%	0.216	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	177	-57.5	0	0	0	0	111.3	I7 L8 C9 C116	I7-C20 HydrophobicContact CG2-CB 4.31Å; L8-C20 CarbonylContact O-C 3.57Å; L8-C20 VanDerWaalsContact O-CA 3.23Å; L8-C20 WeakPolarHBondContact O-CA 3.22Å; C9-C20 WeakPolarHBondContact CA-SG 3.31Å; C9-C20 HydrophobicContact CB-CB 4.07Å; C9-C20 WeakPolarHBondContact CB-SG 3.29Å; C9-C20 WeakPolarHBondContact SG-CB 3.46Å; C9-C20 CovalentContact SG-SG 2.02Å; C9-C20 PolarHBondContact SG-SG 3.49Å; C20-C116 HydrophobicContact CB-CB 4.28Å; C20-C116 WeakPolarHBondContact CB-SG 3.41Å; C20-C116 WeakPolarHBondContact SG-CB 3.35Å; C20-C116 PolarHBondContact SG-SG 3.5Å
21	Y	56.1	Low	49.7	Very low	91 Å²	91	68.2 Å²	68.2	36%	0.357	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.1	175.5	-68.9	-89.3	0	0	0	108.9	I7 L8 L19 F47 Y48	I7-Y21 CarbonylContact C-O 3.59Å; I7-Y21 VanDerWaalsContact CA-O 3.3Å; I7-Y21 WeakPolarHBondContact CA-O 3.42Å; L8-Y21 PolarHBondContact N-O 3.3Å; L8-Y21 PolarHBondContact O-N 2.96Å; L19-Y21 HydrophobicContact CD2-CD2 4.42Å; L19-Y21 HydrophobicContact CD2-CE2 3.42Å; L19-Y21 VanDerWaalsContact CD2-CE2 3.42Å; L19-Y21 VanDerWaalsContact CD2-CZ 3.48Å; L19-Y21 WeakPolarHBondContact CD2-OH 3.44Å; L19-Y21 HydrophobicContact CG-CE2 4.48Å; Y21-F47 HydrophobicContact CD2-CD2 4.43Å; Y21-F47 HydrophobicContact CD2-CE1 4.39Å; Y21-F47 AromaticContact CD2-CE2 3.3Å; Y21-F47 HydrophobicContact CD2-CE2 3.3Å; Y21-F47 AromaticContact CD2-CZ 3.3Å; Y21-F47 HydrophobicContact CD2-CZ 3.3Å; Y21-F47 HydrophobicContact CE2-CD2 4.27Å; Y21-F47 AromaticContact CE2-CE1 3.89Å; Y21-F47 HydrophobicContact CE2-CE1 3.89Å; Y21-F47 AromaticContact CE2-CE2 3.4Å; Y21-F47 HydrophobicContact CE2-CE2 3.4Å; Y21-F47 VanDerWaalsContact CE2-CE2 3.4Å; Y21-F47 AromaticContact CE2-CZ 3.19Å; Y21-F47 HydrophobicContact CE2-CZ 3.19Å; Y21-F47 HydrophobicContact CG-CE2 4.16Å; Y21-Y48 PolarHBondContact OH-O 2.83Å
22	T	49	Very low	48.7	Very low	90 Å²	90	71 Å²	71	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.2	175.9	58.4	0	0	0	0	109.7	R6 I7	R6-T22 CarbonylContact O-C 3.55Å; R6-T22 WeakPolarHBondContact O-CA 3.41Å; I7-T22 HydrophobicContact CB-CG2 4.33Å; I7-T22 HydrophobicContact CD1-CG2 3.98Å; I7-T22 HydrophobicContact CG1-CG2 3.77Å; I7-T22 HydrophobicContact CG2-CG2 3.98Å
23	T	51	Low	48	Very low	17 Å²	17	76.8 Å²	76.8	10%	0.104	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.9	179.1	144.8	0	0	0	0	108.9	L5 R6 M40 L43	L5-T23 CarbonylContact C-O 3.51Å; L5-T23 WeakPolarHBondContact CA-O 3.3Å; R6-T23 HydrophobicContact CB-CG2 3.98Å; R6-T23 PolarHBondContact N-O 3.17Å; R6-T23 WeakPolarHBondContact O-CG2 3.07Å; R6-T23 PolarHBondContact O-N 3.36Å; T23-M40 HydrophobicContact CG2-SD 4.35Å; T23-L43 HydrophobicContact CG2-CD1 3.31Å
24	L	47.1	Very low	46.9	Very low	92 Å²	92	83.9 Å²	83.9	48%	0.482	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.6	169.9	-90.7	149.2	0	0	0	109.3	E3 L5 K106	E3-L24 HydrophobicContact CB-CD2 4.15Å; L5-L24 HydrophobicContact CD2-CG 4.21Å; L5-L24 HydrophobicContact CG-CD2 4.31Å; L5-L24 HydrophobicContact CG-CG 4.29Å; L24-K106 HydrophobicContact CD2-CD 3.8Å
25	I	47.3	Very low	46.4	Very low	5 Å²	5	80.6 Å²	80.6	3%	0.026	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.8	171.1	-53.7	160.2	0	0	0	107.4	W4 R6 H29 D36 T103	W4-I25 HydrophobicContact CB-CB 4.43Å; W4-I25 PolarHBondContact N-O 3.5Å; W4-I25 PolarHBondContact O-N 3.37Å; R6-I25 HydrophobicContact CB-CD1 3.47Å; R6-I25 VanDerWaalsContact CB-CD1 3.47Å; R6-I25 HydrophobicContact CB-CG1 4.06Å; R6-I25 HydrophobicContact CG-CD1 3.33Å; R6-I25 HydrophobicContact CG-CG1 4.39Å; I25-H29 HydrophobicContact CG2-CB 4.35Å; I25-D36 VanDerWaalsContact CD1-OD1 3.23Å; I25-D36 WeakPolarHBondContact CD1-OD1 3.43Å; I25-D36 WeakPolarHBondContact CG2-OD1 3.46Å; I25-T103 HydrophobicContact CD1-CG2 3.97Å
26	S	39.9	Very low	45.9	Very low	77 Å²	77	77.4 Å²	77.4	54%	0.538	42%	0.418	S	S	.	.			trans	-63.3	134.6	170.1	-52.2	0	0	0	0	109.5	I28 H29	S26-I28 PolarHBondContact O-N 3.08Å; S26-H29 PolarHBondContact O-N 3.2Å
27	P	39.4	Very low	45.3	Very low	32 Å²	32	78 Å²	78	21%	0.208	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-58.8	-18.6	-170.5	19.3	-30.8	0	0	0	114.7	M1 H29 S30	M1-P27 HydrophobicContact CB-CB 4.16Å; M1-P27 HydrophobicContact CB-CG 4.03Å; P27-H29 PolarHBondContact O-N 3.35Å; P27-S30 PolarHBondContact O-N 2.93Å; P27-S30 PolarHBondContact O-OG 3.46Å
28	I	42.7	Very low	44.5	Very low	138 Å²	138	76.3 Å²	76.3	71%	0.708	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-68.9	-20.4	178.4	-60	164.8	0	0	0	111.9	S26	S26-I28 PolarHBondContact O-N 3.08Å
29	H	40.3	Very low	44.3	Very low	102 Å²	102	75.5 Å²	75.5	47%	0.472	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-103.4	-6.3	-180	-77.6	-45.4	0	0	0	115.2	I25 S26 P27	I25-H29 HydrophobicContact CG2-CB 4.35Å; S26-H29 PolarHBondContact O-N 3.2Å; P27-H29 PolarHBondContact O-N 3.35Å
30	S	39.4	Very low	43.6	Very low	38 Å²	38	73 Å²	73	27%	0.266	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.7	-175.5	75.1	0	0	0	0	114.3	P27	P27-S30 PolarHBondContact O-N 2.93Å; P27-S30 PolarHBondContact O-OG 3.46Å
31	T	40.3	Very low	43.1	Very low	116 Å²	116	75.2 Å²	75.2	71%	0.712	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-21.5	180	50.9	0	0	0	0	113
32	N	39.5	Very low	42.4	Very low	114 Å²	114	76.7 Å²	76.7	61%	0.61	40%	0.404	S	S	*	.	S	Bend	trans	-118.8	104.2	178.7	-77.8	-25.2	0	0	0	109.3	R34 G35	N32-R34 PolarHBondContact O-N 3.2Å; N32-G35 PolarHBondContact O-N 2.8Å
33	N	43	Very low	42.2	Very low	125 Å²	125	76.3 Å²	76.3	67%	0.668	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-16.8	171.9	-81.1	-32.8	0	0	0	114.8	L37	N33-L37 PolarHBondContact O-N 3.38Å
34	R	38.1	Very low	42	Very low	219 Å²	219	75.7 Å²	75.7	83%	0.826	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.2	172.9	-76.6	-176.9	173.3	174.7	-1.4	115.2	N32 D36 L37 L38	N32-R34 PolarHBondContact O-N 3.2Å; R34-D36 VanDerWaalsContact C-N 3.32Å; R34-L37 WeakPolarHBondContact O-CB 3.37Å; R34-L37 PolarHBondContact O-N 3.34Å; R34-L38 PolarHBondContact O-N 2.79Å
35	G	37.8	Very low	41.6	Very low	15 Å²	15	78 Å²	78	16%	0.155	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-40.1	179.9	0	0	0	0	0	111	N32 L37 L38 T39	N32-G35 PolarHBondContact O-N 2.8Å; G35-L37 PolarHBondContact O-N 3.14Å; G35-L38 VanDerWaalsContact O-CB 3.3Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 2.88Å; G35-T39 PolarHBondContact O-N 3.02Å; G35-T39 PolarHBondContact O-OG1 3.21Å; G35-T39 VanDerWaalsContact O-OG1 3.1Å
36	D	43.1	Very low	41.3	Very low	6 Å²	6	82.4 Å²	82.4	3%	0.032	42%	0.424	C	S	.	.	H	α-helix	trans	-59	-29.8	173	-112.7	-12.8	0	0	0	114.4	R6 I25 R34 M40	R6-D36 VanDerWaalsContact CZ-CB 3.42Å; R6-D36 IonicContact CZ-OD1 3.86Å; R6-D36 IonicContact CZ-OD2 2.7Å; R6-D36 IonicContact NE-OD1 2.56Å; R6-D36 IonicContact NE-OD2 3.46Å; R6-D36 VanDerWaalsContact NH1-C 3.35Å; R6-D36 VanDerWaalsContact NH1-CG 3.32Å; R6-D36 PolarHBondContact NH1-O 3.03Å; R6-D36 IonicContact NH1-OD1 3.66Å; R6-D36 IonicContact NH1-OD2 3.56Å; R6-D36 VanDerWaalsContact NH2-CB 3.35Å; R6-D36 IonicContact NH2-OD1 3.57Å; R6-D36 IonicContact NH2-OD2 3.73Å; R6-D36 PolarHBondContact NH2-OD2 3.12Å; I25-D36 VanDerWaalsContact CD1-OD1 3.23Å; I25-D36 WeakPolarHBondContact CD1-OD1 3.43Å; I25-D36 WeakPolarHBondContact CG2-OD1 3.46Å; R34-D36 VanDerWaalsContact C-N 3.32Å; D36-M40 PolarHBondContact O-N 3.2Å
37	L	39.9	Very low	41.6	Very low	64 Å²	64	79.1 Å²	79.1	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-74.9	-31.4	175.5	-135.1	127.2	0	0	0	111.4	N33 R34 G35 K41 N64	N33-L37 PolarHBondContact O-N 3.38Å; R34-L37 WeakPolarHBondContact O-CB 3.37Å; R34-L37 PolarHBondContact O-N 3.34Å; G35-L37 PolarHBondContact O-N 3.14Å; L37-K41 HydrophobicContact CD2-CD 4.02Å; L37-K41 HydrophobicContact CD2-CG 4.33Å; L37-K41 WeakPolarHBondContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CG 3.25Å; L37-K41 PolarHBondContact O-N 2.78Å; L37-N64 WeakPolarHBondContact CD2-ND2 3.49Å
38	L	40.7	Very low	42	Very low	109 Å²	109	82 Å²	82	57%	0.571	41%	0.407	S	S	*	.	H	α-helix	trans	-73	-44.1	-178	-111.4	149.9	0	0	0	111.6	R34 G35 K41 Q42	R34-L38 PolarHBondContact O-N 2.79Å; G35-L38 VanDerWaalsContact O-CB 3.3Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 2.88Å; L38-K41 CarbonylContact O-C 3.59Å; L38-K41 WeakPolarHBondContact O-CB 3.24Å; L38-K41 PolarHBondContact O-N 3.35Å; L38-Q42 PolarHBondContact O-N 3.43Å
39	T	47.4	Very low	42.4	Very low	44 Å²	44	75.9 Å²	75.9	27%	0.27	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-44.9	177.4	-10.3	0	0	0	0	111.4	G35 Q42 L43	G35-T39 PolarHBondContact O-N 3.02Å; G35-T39 PolarHBondContact O-OG1 3.21Å; G35-T39 VanDerWaalsContact O-OG1 3.1Å; T39-Q42 WeakPolarHBondContact O-CB 3.34Å; T39-Q42 PolarHBondContact O-N 3.13Å; T39-Q42 VanDerWaalsContact O-N 3.16Å; T39-L43 PolarHBondContact O-N 3.17Å
40	M	41.9	Very low	42.5	Very low	7 Å²	7	74.7 Å²	74.7	3%	0.034	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-40.2	173.1	-90.7	-73.7	-85.5	0	0	112.2	L8 T23 D36 Q42 L43 I44 M101	L8-M40 HydrophobicContact CB-CE 3.7Å; L8-M40 HydrophobicContact CB-SD 4.34Å; L8-M40 HydrophobicContact CD1-CE 3.45Å; L8-M40 VanDerWaalsContact CD1-CE 3.45Å; L8-M40 HydrophobicContact CD2-CE 3.85Å; L8-M40 HydrophobicContact CG-CE 3.82Å; T23-M40 HydrophobicContact CG2-SD 4.35Å; D36-M40 PolarHBondContact O-N 3.2Å; M40-Q42 PolarHBondContact O-N 3.39Å; M40-L43 PolarHBondContact O-N 2.9Å; M40-L43 HydrophobicContact SD-CD1 4.37Å; M40-I44 HydrophobicContact CB-CD1 4.29Å; M40-I44 HydrophobicContact CE-CD1 3.84Å; M40-I44 WeakPolarHBondContact O-CB 3.25Å; M40-I44 VanDerWaalsContact O-CD1 3.31Å; M40-I44 WeakPolarHBondContact O-CD1 3.46Å; M40-I44 WeakPolarHBondContact O-CG1 3.33Å; M40-I44 PolarHBondContact O-N 2.81Å; M40-I44 HydrophobicContact SD-CD1 4.27Å; M40-M101 HydrophobicContact CE-CG 4.34Å; M40-M101 HydrophobicContact CE-SD 3.58Å; M40-M101 VanDerWaalsContact CE-SD 3.58Å
41	K	40.8	Very low	42.9	Very low	78 Å²	78	73.4 Å²	73.4	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-25.1	171.9	-89.3	-175.2	167.6	174.3	0	113	L37 L38 K60	L37-K41 HydrophobicContact CD2-CD 4.02Å; L37-K41 HydrophobicContact CD2-CG 4.33Å; L37-K41 WeakPolarHBondContact O-CB 3.27Å; L37-K41 WeakPolarHBondContact O-CG 3.25Å; L37-K41 PolarHBondContact O-N 2.78Å; L38-K41 CarbonylContact O-C 3.59Å; L38-K41 WeakPolarHBondContact O-CB 3.24Å; L38-K41 PolarHBondContact O-N 3.35Å; K41-K60 VanDerWaalsContact O-CE 3.25Å; K41-K60 WeakPolarHBondContact O-CE 3.43Å; K41-K60 PolarHBondContact O-NZ 2.87Å
42	Q	42.5	Very low	43	Very low	122 Å²	122	72.5 Å²	72.5	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-81	-46	173.5	-81.3	176.1	-21.5	0	0	111.4	L38 T39 M40 I44 K45	L38-Q42 PolarHBondContact O-N 3.43Å; T39-Q42 WeakPolarHBondContact O-CB 3.34Å; T39-Q42 PolarHBondContact O-N 3.13Å; T39-Q42 VanDerWaalsContact O-N 3.16Å; M40-Q42 PolarHBondContact O-N 3.39Å; Q42-I44 PolarHBondContact O-N 2.88Å; Q42-K45 WeakPolarHBondContact O-CB 3.36Å; Q42-K45 PolarHBondContact O-N 3.08Å; Q42-K45 VanDerWaalsContact O-N 3.12Å
43	L	43.3	Very low	43	Very low	82 Å²	82	71.4 Å²	71.4	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-35.4	174.2	-78.6	152.2	0	0	0	112.9	T23 T39 M40 K45	T23-L43 HydrophobicContact CG2-CD1 3.31Å; T39-L43 PolarHBondContact O-N 3.17Å; M40-L43 PolarHBondContact O-N 2.9Å; M40-L43 HydrophobicContact SD-CD1 4.37Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.82Å
44	I	46.7	Very low	42.9	Very low	4 Å²	4	67.7 Å²	67.7	2%	0.021	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-81.4	-9.1	-179.1	-66.8	164.5	0	0	0	112.4	M40 Q42 N46 F47 K60 I63	M40-I44 HydrophobicContact CB-CD1 4.29Å; M40-I44 HydrophobicContact CE-CD1 3.84Å; M40-I44 WeakPolarHBondContact O-CB 3.25Å; M40-I44 VanDerWaalsContact O-CD1 3.31Å; M40-I44 WeakPolarHBondContact O-CD1 3.46Å; M40-I44 WeakPolarHBondContact O-CG1 3.33Å; M40-I44 PolarHBondContact O-N 2.81Å; M40-I44 HydrophobicContact SD-CD1 4.27Å; Q42-I44 PolarHBondContact O-N 2.88Å; I44-N46 PolarHBondContact O-N 3.37Å; I44-F47 HydrophobicContact CG1-CD2 4.48Å; I44-F47 PolarHBondContact O-N 2.72Å; I44-K60 HydrophobicContact CG2-CB 3.97Å; I44-K60 HydrophobicContact CG2-CG 4.06Å; I44-I63 HydrophobicContact CB-CD1 4.21Å; I44-I63 HydrophobicContact CD1-CB 3.97Å; I44-I63 HydrophobicContact CD1-CD1 3.84Å; I44-I63 HydrophobicContact CD1-CG1 4.47Å; I44-I63 HydrophobicContact CD1-CG2 3.54Å; I44-I63 HydrophobicContact CG1-CD1 3.85Å; I44-I63 HydrophobicContact CG2-CD1 3.31Å
45	K	39.9	Very low	43.2	Very low	141 Å²	141	61.7 Å²	61.7	61%	0.613	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-50.7	-28.6	-179.1	-94.7	-175	173	-177.8	0	112.1	Q42 L43	Q42-K45 WeakPolarHBondContact O-CB 3.36Å; Q42-K45 PolarHBondContact O-N 3.08Å; Q42-K45 VanDerWaalsContact O-N 3.12Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.82Å
46	N	41.3	Very low	43.7	Very low	97 Å²	97	61 Å²	61	52%	0.519	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-143	72.9	173.5	-79.9	-31.9	0	0	0	110.6	I44 Y48	I44-N46 PolarHBondContact O-N 3.37Å; N46-Y48 HydrophobicContact CB-CD2 3.93Å; N46-Y48 HydrophobicContact CB-CE2 3.65Å; N46-Y48 WeakPolarHBondContact O-CD2 3.34Å; N46-Y48 PolarHBondContact O-N 3.48Å
47	F	46.5	Very low	44.1	Very low	8 Å²	8	66.2 Å²	66.2	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	106.3	171	-150.3	-92.6	0	0	0	109.3	L8 V10 Y21 I44 I49 I58	L8-F47 HydrophobicContact CD2-CD2 4.26Å; L8-F47 HydrophobicContact CD2-CE2 3.5Å; L8-F47 HydrophobicContact CD2-CZ 3.91Å; V10-F47 HydrophobicContact CB-CE1 4.06Å; V10-F47 HydrophobicContact CB-CZ 4.27Å; V10-F47 HydrophobicContact CG2-CE1 3.54Å; V10-F47 HydrophobicContact CG2-CZ 3.5Å; Y21-F47 HydrophobicContact CD2-CD2 4.43Å; Y21-F47 HydrophobicContact CD2-CE1 4.39Å; Y21-F47 AromaticContact CD2-CE2 3.3Å; Y21-F47 HydrophobicContact CD2-CE2 3.3Å; Y21-F47 AromaticContact CD2-CZ 3.3Å; Y21-F47 HydrophobicContact CD2-CZ 3.3Å; Y21-F47 HydrophobicContact CE2-CD2 4.27Å; Y21-F47 AromaticContact CE2-CE1 3.89Å; Y21-F47 HydrophobicContact CE2-CE1 3.89Å; Y21-F47 AromaticContact CE2-CE2 3.4Å; Y21-F47 HydrophobicContact CE2-CE2 3.4Å; Y21-F47 VanDerWaalsContact CE2-CE2 3.4Å; Y21-F47 AromaticContact CE2-CZ 3.19Å; Y21-F47 HydrophobicContact CE2-CZ 3.19Å; Y21-F47 HydrophobicContact CG-CE2 4.16Å; I44-F47 HydrophobicContact CG1-CD2 4.48Å; I44-F47 PolarHBondContact O-N 2.72Å; F47-I49 HydrophobicContact CD1-CG1 4.19Å; F47-I49 HydrophobicContact CE1-CG1 4.03Å; F47-I58 HydrophobicContact CD1-CD1 4.28Å; F47-I58 PolarHBondContact O-N 3.33Å
48	Y	46.3	Very low	44.6	Very low	92 Å²	92	63.4 Å²	63.4	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.8	176.1	-76	-79.6	0	0	0	109	Y21 N46 S50 K55 I56 K57	Y21-Y48 PolarHBondContact OH-O 2.83Å; N46-Y48 HydrophobicContact CB-CD2 3.93Å; N46-Y48 HydrophobicContact CB-CE2 3.65Å; N46-Y48 WeakPolarHBondContact O-CD2 3.34Å; N46-Y48 PolarHBondContact O-N 3.48Å; Y48-S50 PolarHBondContact O-N 2.8Å; Y48-K55 HydrophobicContact CD1-CB 4.04Å; Y48-K55 HydrophobicContact CD1-CD 4.31Å; Y48-K55 HydrophobicContact CD1-CG 4.43Å; Y48-I56 WeakPolarHBondContact CA-O 3.01Å; Y48-K57 HydrophobicContact CE1-CB 4.27Å
49	I	51.1	Low	44.9	Very low	11 Å²	11	63.8 Å²	63.8	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107.7	164.1	-53.2	176.1	0	0	0	106.1	V10 F47 L51 F54 K55 I56 I58 F97	V10-I49 HydrophobicContact CG1-CD1 3.89Å; F47-I49 HydrophobicContact CD1-CG1 4.19Å; F47-I49 HydrophobicContact CE1-CG1 4.03Å; I49-L51 HydrophobicContact CB-CD1 4.24Å; I49-L51 HydrophobicContact CG2-CD1 3.49Å; I49-L51 VanDerWaalsContact CG2-CD1 3.49Å; I49-L51 HydrophobicContact CG2-CG 3.97Å; I49-L51 PolarHBondContact O-N 2.86Å; I49-F54 VanDerWaalsContact O-O 3.11Å; I49-K55 WeakPolarHBondContact O-CA 3.06Å; I49-I56 HydrophobicContact CB-CB 4.46Å; I49-I56 PolarHBondContact N-O 3.32Å; I49-I56 PolarHBondContact O-N 2.85Å; I49-I56 VanDerWaalsContact O-N 3.13Å; I49-I58 HydrophobicContact CD1-CD1 3.8Å; I49-I58 HydrophobicContact CG1-CD1 4.39Å; I49-F97 HydrophobicContact CD1-CD1 4.15Å; I49-F97 HydrophobicContact CD1-CE1 3.74Å; I49-F97 HydrophobicContact CD1-CZ 4.37Å
50	S	42.5	Very low	45	Very low	76 Å²	76	64.7 Å²	64.7	53%	0.531	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	94.4	171.9	-152.3	0	0	0	0	107.6	Y48	Y48-S50 PolarHBondContact O-N 2.8Å
51	L	48	Very low	45.3	Very low	11 Å²	11	70.6 Å²	70.6	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	159.5	164.7	-75.7	125.2	0	0	0	108.2	F15 Y17 I49 N53 F54 I56	F15-L51 HydrophobicContact CB-CD2 4.39Å; F15-L51 HydrophobicContact CD2-CD2 4.19Å; F15-L51 HydrophobicContact CG-CD2 4.4Å; Y17-L51 HydrophobicContact CD2-CD2 3.48Å; Y17-L51 VanDerWaalsContact CD2-CD2 3.48Å; Y17-L51 HydrophobicContact CE2-CD2 4.04Å; Y17-L51 HydrophobicContact CG-CD2 4.36Å; I49-L51 HydrophobicContact CB-CD1 4.24Å; I49-L51 HydrophobicContact CG2-CD1 3.49Å; I49-L51 VanDerWaalsContact CG2-CD1 3.49Å; I49-L51 HydrophobicContact CG2-CG 3.97Å; I49-L51 PolarHBondContact O-N 2.86Å; L51-N53 PolarHBondContact O-N 2.95Å; L51-F54 HydrophobicContact CB-CD1 4.32Å; L51-F54 HydrophobicContact CB-CD2 3.27Å; L51-F54 HydrophobicContact CB-CE1 4.25Å; L51-F54 HydrophobicContact CB-CE2 3.23Å; L51-F54 HydrophobicContact CB-CG 3.83Å; L51-F54 HydrophobicContact CB-CZ 3.71Å; L51-F54 HydrophobicContact CD1-CD2 3.39Å; L51-F54 HydrophobicContact CD1-CE2 3.35Å; L51-F54 HydrophobicContact CD1-CZ 4.49Å; L51-F54 HydrophobicContact CD2-CD2 4.42Å; L51-F54 HydrophobicContact CD2-CE2 3.64Å; L51-F54 HydrophobicContact CD2-CZ 4.09Å; L51-F54 HydrophobicContact CG-CD2 3.79Å; L51-F54 HydrophobicContact CG-CE2 3.51Å; L51-F54 HydrophobicContact CG-CZ 4.26Å; L51-F54 PolarHBondContact N-O 2.87Å; L51-F54 PolarHBondContact O-N 3.42Å; L51-F54 VanDerWaalsContact O-N 3.08Å; L51-I56 HydrophobicContact CD1-CD1 3.92Å; L51-I56 HydrophobicContact CD1-CG1 4.48Å
52	P	43.5	Very low	45.8	Very low	98 Å²	98	69 Å²	69	64%	0.636	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-29.9	-172.5	-30.1	35.7	0	0	0	114.2
53	N	38.9	Very low	46.2	Very low	91 Å²	91	63.2 Å²	63.2	49%	0.487	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	4.9	-178.4	-64.3	-23.4	0	0	0	114.9	L51 F81	L51-N53 PolarHBondContact O-N 2.95Å; N53-F81 HydrophobicContact CB-CD1 4.49Å; N53-F81 HydrophobicContact CB-CE1 4.03Å
54	F	40.7	Very low	46.5	Very low	47 Å²	47	62.5 Å²	62.5	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.4	-172.2	27.1	-76	0	0	0	113.7	F15 I49 L51 I56 V79	F15-F54 HydrophobicContact CD2-CE2 4.15Å; F15-F54 HydrophobicContact CE1-CE2 4.36Å; F15-F54 HydrophobicContact CE1-CZ 4.12Å; F15-F54 AromaticContact CE2-CE2 3.6Å; F15-F54 HydrophobicContact CE2-CE2 3.6Å; F15-F54 HydrophobicContact CE2-CZ 4.18Å; F15-F54 AromaticContact CZ-CE2 3.72Å; F15-F54 HydrophobicContact CZ-CE2 3.72Å; F15-F54 AromaticContact CZ-CZ 3.88Å; F15-F54 HydrophobicContact CZ-CZ 3.88Å; I49-F54 VanDerWaalsContact O-O 3.11Å; L51-F54 HydrophobicContact CB-CD1 4.32Å; L51-F54 HydrophobicContact CB-CD2 3.27Å; L51-F54 HydrophobicContact CB-CE1 4.25Å; L51-F54 HydrophobicContact CB-CE2 3.23Å; L51-F54 HydrophobicContact CB-CG 3.83Å; L51-F54 HydrophobicContact CB-CZ 3.71Å; L51-F54 HydrophobicContact CD1-CD2 3.39Å; L51-F54 HydrophobicContact CD1-CE2 3.35Å; L51-F54 HydrophobicContact CD1-CZ 4.49Å; L51-F54 HydrophobicContact CD2-CD2 4.42Å; L51-F54 HydrophobicContact CD2-CE2 3.64Å; L51-F54 HydrophobicContact CD2-CZ 4.09Å; L51-F54 HydrophobicContact CG-CD2 3.79Å; L51-F54 HydrophobicContact CG-CE2 3.51Å; L51-F54 HydrophobicContact CG-CZ 4.26Å; L51-F54 PolarHBondContact N-O 2.87Å; L51-F54 PolarHBondContact O-N 3.42Å; L51-F54 VanDerWaalsContact O-N 3.08Å; F54-I56 HydrophobicContact CD2-CD1 4.35Å; F54-V79 HydrophobicContact CB-CG1 4.21Å; F54-V79 HydrophobicContact CB-CG2 4.49Å
55	K	44.2	Very low	46.5	Very low	92 Å²	92	70 Å²	70	40%	0.4	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111	171.6	-81.2	-175.1	-178.8	179.7	0	109.7	Y48 I49	Y48-K55 HydrophobicContact CD1-CB 4.04Å; Y48-K55 HydrophobicContact CD1-CD 4.31Å; Y48-K55 HydrophobicContact CD1-CG 4.43Å; I49-K55 WeakPolarHBondContact O-CA 3.06Å
56	I	49.1	Very low	46.9	Very low	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	177.5	-55.7	177.9	0	0	0	109.1	Y48 I49 L51 F54 I58 V77 F95 F97	Y48-I56 WeakPolarHBondContact CA-O 3.01Å; I49-I56 HydrophobicContact CB-CB 4.46Å; I49-I56 PolarHBondContact N-O 3.32Å; I49-I56 PolarHBondContact O-N 2.85Å; I49-I56 VanDerWaalsContact O-N 3.13Å; L51-I56 HydrophobicContact CD1-CD1 3.92Å; L51-I56 HydrophobicContact CD1-CG1 4.48Å; F54-I56 HydrophobicContact CD2-CD1 4.35Å; I56-I58 HydrophobicContact CG2-CG1 4.18Å; I56-V77 HydrophobicContact CG1-CG1 4.13Å; I56-F95 HydrophobicContact CD1-CD1 4.42Å; I56-F95 HydrophobicContact CD1-CE1 4.45Å; I56-F95 HydrophobicContact CD1-CG 4.49Å; I56-F95 HydrophobicContact CD1-CZ 4.49Å; I56-F97 HydrophobicContact CD1-CE1 4.49Å; I56-F97 HydrophobicContact CD1-CZ 4.02Å; I56-F97 HydrophobicContact CG2-CZ 4.35Å
57	K	50.5	Low	47.2	Very low	117 Å²	117	64.3 Å²	64.3	51%	0.509	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.3	173	-168.8	176.2	-175.5	175.1	0	109.7	Y48	Y48-K57 HydrophobicContact CE1-CB 4.27Å
58	I	51.6	Low	47	Very low	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.6	177.9	-60.5	177.5	0	0	0	109.3	F47 I49 I56 I63 L73 F97	F47-I58 HydrophobicContact CD1-CD1 4.28Å; F47-I58 PolarHBondContact O-N 3.33Å; I49-I58 HydrophobicContact CD1-CD1 3.8Å; I49-I58 HydrophobicContact CG1-CD1 4.39Å; I56-I58 HydrophobicContact CG2-CG1 4.18Å; I58-I63 HydrophobicContact CG2-CD1 4.3Å; I58-I63 HydrophobicContact CG2-CG1 4.46Å; I58-L73 HydrophobicContact CD1-CD1 4.4Å; I58-L73 HydrophobicContact CG1-CD1 4.37Å; I58-L73 HydrophobicContact CG2-CD1 3.8Å; I58-F97 HydrophobicContact CD1-CE2 4.48Å
59	N	46.8	Very low	46.7	Very low	117 Å²	117	68.5 Å²	68.5	63%	0.626	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-77	132.2	-175.4	-155.8	-14.1	0	0	0	111.3	N61 L62	N59-N61 VanDerWaalsContact C-N 3.27Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-N61 VanDerWaalsContact O-N 3.12Å; N59-L62 HydrophobicContact CB-CD1 3.96Å; N59-L62 WeakPolarHBondContact O-CD1 3.21Å; N59-L62 PolarHBondContact O-N 3.12Å
60	K	49.5	Very low	46.2	Very low	63 Å²	63	73.4 Å²	73.4	27%	0.274	38%	0.383	S	S	.	.	H	α-helix	trans	-55.6	-31.7	-168.4	172.2	177.6	176.2	169.1	0	115.2	K41 I44 L62	K41-K60 VanDerWaalsContact O-CE 3.25Å; K41-K60 WeakPolarHBondContact O-CE 3.43Å; K41-K60 PolarHBondContact O-NZ 2.87Å; I44-K60 HydrophobicContact CG2-CB 3.97Å; I44-K60 HydrophobicContact CG2-CG 4.06Å; K60-L62 PolarHBondContact O-N 3.2Å
61	N	48.4	Very low	46.2	Very low	131 Å²	131	69.8 Å²	69.8	70%	0.701	36%	0.358	S	S	*	.	H	α-helix	trans	-69.4	-15.4	-179.5	-86.6	-3.2	0	0	0	113.6	N59	N59-N61 VanDerWaalsContact C-N 3.27Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-N61 VanDerWaalsContact O-N 3.12Å
62	L	49.7	Very low	45.8	Very low	45 Å²	45	72.4 Å²	72.4	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-81.8	-37.2	179.1	-73.8	121.6	0	0	0	112.7	N59 K60 N64 K65 F66 L71 L73	N59-L62 HydrophobicContact CB-CD1 3.96Å; N59-L62 WeakPolarHBondContact O-CD1 3.21Å; N59-L62 PolarHBondContact O-N 3.12Å; K60-L62 PolarHBondContact O-N 3.2Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.25Å; L62-K65 PolarHBondContact O-N 3.3Å; L62-K65 VanDerWaalsContact O-N 3.08Å; L62-F66 HydrophobicContact CB-CD2 4.44Å; L62-F66 HydrophobicContact CD2-CD2 4.3Å; L62-F66 HydrophobicContact CD2-CE2 3.8Å; L62-F66 HydrophobicContact CD2-CZ 4.46Å; L62-F66 WeakPolarHBondContact O-CD2 3.29Å; L62-F66 PolarHBondContact O-N 2.8Å; L62-L71 HydrophobicContact CB-CD2 4.4Å; L62-L71 HydrophobicContact CD2-CD2 3.53Å; L62-L73 HydrophobicContact CD1-CD2 3.65Å; L62-L73 HydrophobicContact CD2-CD2 3.88Å; L62-L73 HydrophobicContact CD2-CG 4.34Å; L62-L73 HydrophobicContact CG-CD2 4.29Å
63	I	52.1	Low	45.8	Very low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-39.4	-168.3	-72.8	155.8	0	0	0	113	L8 I44 I58 K65 F66 T67 I99	L8-I63 HydrophobicContact CD1-CG2 4.17Å; L8-I63 HydrophobicContact CD2-CG2 4.5Å; I44-I63 HydrophobicContact CB-CD1 4.21Å; I44-I63 HydrophobicContact CD1-CB 3.97Å; I44-I63 HydrophobicContact CD1-CD1 3.84Å; I44-I63 HydrophobicContact CD1-CG1 4.47Å; I44-I63 HydrophobicContact CD1-CG2 3.54Å; I44-I63 HydrophobicContact CG1-CD1 3.85Å; I44-I63 HydrophobicContact CG2-CD1 3.31Å; I58-I63 HydrophobicContact CG2-CD1 4.3Å; I58-I63 HydrophobicContact CG2-CG1 4.46Å; I63-K65 VanDerWaalsContact C-N 3.31Å; I63-K65 PolarHBondContact O-N 2.8Å; I63-F66 PolarHBondContact O-N 2.76Å; I63-T67 PolarHBondContact O-N 2.93Å; I63-I99 HydrophobicContact CG1-CD1 3.76Å; I63-I99 HydrophobicContact CG2-CG2 4.41Å
64	N	49.1	Very low	45.6	Very low	66 Å²	66	67.7 Å²	67.7	35%	0.353	35%	0.349	S	S	.	.	H	α-helix	trans	-70.9	-22.2	179.3	-74.6	-7.7	0	0	0	114.7	L37 L62	L37-N64 WeakPolarHBondContact CD2-ND2 3.49Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.25Å
65	K	46.8	Very low	45.4	Very low	162 Å²	162	66.5 Å²	66.5	70%	0.704	35%	0.347	S	S	*	.	H	α-helix	trans	-84.8	-13.8	179.9	-81.6	-172.9	176.6	-174.4	0	112.8	L62 I63	L62-K65 PolarHBondContact O-N 3.3Å; L62-K65 VanDerWaalsContact O-N 3.08Å; I63-K65 VanDerWaalsContact C-N 3.31Å; I63-K65 PolarHBondContact O-N 2.8Å
66	F	47.5	Very low	44.8	Very low	62 Å²	62	67.8 Å²	67.8	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-134.5	10.6	-160.7	-72	-88.6	0	0	0	115.1	L62 I63 G68 K69 L71	L62-F66 HydrophobicContact CB-CD2 4.44Å; L62-F66 HydrophobicContact CD2-CD2 4.3Å; L62-F66 HydrophobicContact CD2-CE2 3.8Å; L62-F66 HydrophobicContact CD2-CZ 4.46Å; L62-F66 WeakPolarHBondContact O-CD2 3.29Å; L62-F66 PolarHBondContact O-N 2.8Å; I63-F66 PolarHBondContact O-N 2.76Å; F66-G68 PolarHBondContact O-N 2.02Å; F66-K69 HydrophobicContact CB-CB 4.49Å; F66-K69 HydrophobicContact CD1-CB 4.12Å; F66-K69 PolarHBondContact O-N 3.21Å; F66-L71 HydrophobicContact CB-CD1 3.21Å; F66-L71 HydrophobicContact CB-CD2 4.01Å; F66-L71 HydrophobicContact CB-CG 3.37Å; F66-L71 HydrophobicContact CD1-CD1 4.26Å; F66-L71 HydrophobicContact CD1-CD2 3.52Å; F66-L71 HydrophobicContact CD1-CG 3.42Å; F66-L71 VanDerWaalsContact CD1-CG 3.42Å; F66-L71 HydrophobicContact CD2-CD1 4.08Å; F66-L71 HydrophobicContact CD2-CD2 3.46Å; F66-L71 VanDerWaalsContact CD2-CD2 3.46Å; F66-L71 HydrophobicContact CD2-CG 3.87Å; F66-L71 HydrophobicContact CE1-CD2 3.65Å; F66-L71 HydrophobicContact CE1-CG 4.04Å; F66-L71 HydrophobicContact CE2-CD2 3.61Å; F66-L71 HydrophobicContact CE2-CG 4.44Å; F66-L71 HydrophobicContact CG-CD1 3.64Å; F66-L71 HydrophobicContact CG-CD2 3.4Å; F66-L71 VanDerWaalsContact CG-CD2 3.4Å; F66-L71 HydrophobicContact CG-CG 3.29Å; F66-L71 HydrophobicContact CZ-CD2 3.69Å
67	T	47.9	Very low	44.1	Very low	57 Å²	57	68 Å²	68	35%	0.35	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-54.2	124.5	163.5	34.6	0	0	0	0	110.1	I63 K69 I99 M101	I63-T67 PolarHBondContact O-N 2.93Å; T67-K69 VanDerWaalsContact C-N 3.29Å; T67-K69 PolarHBondContact O-N 3.04Å; T67-I99 HydrophobicContact CG2-CG2 4.34Å; T67-M101 HydrophobicContact CG2-CB 3.66Å; T67-M101 HydrophobicContact CG2-SD 4.42Å
68	G	43.6	Very low	43.3	Very low	58 Å²	58	67.8 Å²	67.8	60%	0.598	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	1.1	-175.7	0	0	0	0	0	115.3	F66 I99	F66-G68 PolarHBondContact O-N 2.02Å; G68-I99 PolarHBondContact N-O 2.82Å
69	K	39	Very low	42.3	Very low	130 Å²	130	68 Å²	68	57%	0.565	36%	0.356	S	S	*	.	S	Bend	trans	-116.3	150.4	179.5	-65.9	-175.1	177.6	-179.4	0	111.5	F66 T67 L71	F66-K69 HydrophobicContact CB-CB 4.49Å; F66-K69 HydrophobicContact CD1-CB 4.12Å; F66-K69 PolarHBondContact O-N 3.21Å; T67-K69 VanDerWaalsContact C-N 3.29Å; T67-K69 PolarHBondContact O-N 3.04Å; K69-L71 PolarHBondContact O-N 3.47Å
70	H	40.6	Very low	41.6	Very low	113 Å²	113	66.3 Å²	66.3	52%	0.523	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.1	170.9	-74.2	-112.4	0	0	0	109.3	I13 K98	I13-H70 VanDerWaalsContact CD1-CE1 3.46Å; I13-H70 WeakPolarHBondContact CD1-CE1 3.23Å; I13-H70 WeakPolarHBondContact CD1-ND1 3.46Å; H70-K98 VanDerWaalsContact NE2-CE 3.29Å; H70-K98 WeakPolarHBondContact NE2-CE 3.18Å
71	L	43.4	Very low	40.6	Very low	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.3	177.6	-103.6	162.7	0	0	0	109.7	L62 F66 K69 L73 K96 F97 I99	L62-L71 HydrophobicContact CB-CD2 4.4Å; L62-L71 HydrophobicContact CD2-CD2 3.53Å; F66-L71 HydrophobicContact CB-CD1 3.21Å; F66-L71 HydrophobicContact CB-CD2 4.01Å; F66-L71 HydrophobicContact CB-CG 3.37Å; F66-L71 HydrophobicContact CD1-CD1 4.26Å; F66-L71 HydrophobicContact CD1-CD2 3.52Å; F66-L71 HydrophobicContact CD1-CG 3.42Å; F66-L71 VanDerWaalsContact CD1-CG 3.42Å; F66-L71 HydrophobicContact CD2-CD1 4.08Å; F66-L71 HydrophobicContact CD2-CD2 3.46Å; F66-L71 VanDerWaalsContact CD2-CD2 3.46Å; F66-L71 HydrophobicContact CD2-CG 3.87Å; F66-L71 HydrophobicContact CE1-CD2 3.65Å; F66-L71 HydrophobicContact CE1-CG 4.04Å; F66-L71 HydrophobicContact CE2-CD2 3.61Å; F66-L71 HydrophobicContact CE2-CG 4.44Å; F66-L71 HydrophobicContact CG-CD1 3.64Å; F66-L71 HydrophobicContact CG-CD2 3.4Å; F66-L71 VanDerWaalsContact CG-CD2 3.4Å; F66-L71 HydrophobicContact CG-CG 3.29Å; F66-L71 HydrophobicContact CZ-CD2 3.69Å; K69-L71 PolarHBondContact O-N 3.47Å; L71-L73 HydrophobicContact CB-CD1 4.47Å; L71-L73 HydrophobicContact CD1-CD1 4.46Å; L71-L73 HydrophobicContact CD2-CD1 4.26Å; L71-L73 HydrophobicContact CD2-CG 4.19Å; L71-K96 CarbonylContact O-C 3.6Å; L71-K96 VanDerWaalsContact O-CA 3.31Å; L71-K96 WeakPolarHBondContact O-CA 3.41Å; L71-F97 HydrophobicContact CB-CB 4.46Å; L71-F97 PolarHBondContact N-O 2.7Å; L71-F97 PolarHBondContact O-N 3.11Å; L71-I99 HydrophobicContact CD1-CD1 3.38Å; L71-I99 HydrophobicContact CD1-CG1 3.88Å
72	C	39.3	Very low	40	Very low	66 Å²	66	69.5 Å²	69.5	45%	0.446	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	99.7	165.1	-148.9	0	0	0	0	107.6	F95 K96	C72-F95 CarbonylContact C-O 3.58Å; C72-K96 HydrophobicContact CB-CG 4.41Å
73	L	43	Very low	39.4	Very low	9 Å²	9	72.9 Å²	72.9	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.7	179.2	-94.2	154.6	0	0	0	109.4	I58 L62 L71 S75 F95 F97	I58-L73 HydrophobicContact CD1-CD1 4.4Å; I58-L73 HydrophobicContact CG1-CD1 4.37Å; I58-L73 HydrophobicContact CG2-CD1 3.8Å; L62-L73 HydrophobicContact CD1-CD2 3.65Å; L62-L73 HydrophobicContact CD2-CD2 3.88Å; L62-L73 HydrophobicContact CD2-CG 4.34Å; L62-L73 HydrophobicContact CG-CD2 4.29Å; L71-L73 HydrophobicContact CB-CD1 4.47Å; L71-L73 HydrophobicContact CD1-CD1 4.46Å; L71-L73 HydrophobicContact CD2-CD1 4.26Å; L71-L73 HydrophobicContact CD2-CG 4.19Å; L73-S75 PolarHBondContact O-N 2.96Å; L73-F95 PolarHBondContact N-O 3.33Å; L73-F95 PolarHBondContact O-N 3.42Å; L73-F97 HydrophobicContact CB-CD2 4.05Å; L73-F97 HydrophobicContact CB-CE2 3.93Å; L73-F97 HydrophobicContact CD1-CD2 3.87Å; L73-F97 HydrophobicContact CD1-CE2 4.16Å
74	T	35.8	Very low	38.6	Very low	81 Å²	81	75.4 Å²	75.4	50%	0.497	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	91.8	155.5	40.5	0	0	0	0	107.4	K94	T74-K94 HydrophobicContact CG2-CB 4.46Å; T74-K94 HydrophobicContact CG2-CD 4.32Å; T74-K94 HydrophobicContact CG2-CG 3.37Å
75	S	35	Very low	38.2	Very low	22 Å²	22	82.9 Å²	82.9	15%	0.154	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.3	168.3	53.8	0	0	0	0	109.7	L73 V77	L73-S75 PolarHBondContact O-N 2.96Å; S75-V77 PolarHBondContact O-N 3.01Å; S75-V77 VanDerWaalsContact O-N 3.09Å
76	K	32.7	Very low	37.7	Very low	119 Å²	119	78.8 Å²	78.8	52%	0.517	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	110.7	164.3	-135.9	-176.6	-169.6	-176.9	0	106.2	V89 Y91	K76-V89 HydrophobicContact CD-CG1 4.09Å; K76-V89 HydrophobicContact CG-CG1 3.99Å; K76-Y91 HydrophobicContact CD-CE1 4.28Å; K76-Y91 WeakPolarHBondContact CE-OH 3.16Å; K76-Y91 HydrophobicContact CG-CD1 4.44Å; K76-Y91 HydrophobicContact CG-CE1 4.47Å; K76-Y91 PolarHBondContact NZ-OH 2.91Å
77	V	34.6	Very low	37.3	Very low	3 Å²	3	83 Å²	83	2%	0.018	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.6	177.3	-177.2	0	0	0	0	107.2	I56 S75 V79 I90 F95	I56-V77 HydrophobicContact CG1-CG1 4.13Å; S75-V77 PolarHBondContact O-N 3.01Å; S75-V77 VanDerWaalsContact O-N 3.09Å; V77-V79 HydrophobicContact CB-CG2 4.46Å; V77-V79 HydrophobicContact CG1-CG2 3.69Å; V77-V79 PolarHBondContact O-N 2.71Å; V77-V79 VanDerWaalsContact O-N 3.13Å; V77-I90 PolarHBondContact N-O 3.21Å; V77-I90 PolarHBondContact O-N 3.3Å; V77-F95 HydrophobicContact CB-CE2 4.43Å; V77-F95 HydrophobicContact CG2-CD2 4Å; V77-F95 HydrophobicContact CG2-CE2 3.43Å; V77-F95 VanDerWaalsContact CG2-CE2 3.43Å; V77-F95 HydrophobicContact CG2-CZ 4.36Å
78	E	32.3	Very low	36.7	Very low	113 Å²	113	85.4 Å²	85.4	53%	0.528	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	96.4	164.9	-71.7	-171.3	158.3	0	0	107.6	L80	E78-L80 PolarHBondContact O-N 3.27Å; E78-L80 VanDerWaalsContact O-N 3.14Å
79	V	32.2	Very low	36.5	Very low	11 Å²	11	85.2 Å²	85.2	7%	0.067	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	96.9	172.9	-175.5	0	0	0	0	107.1	F54 V77 F81 H88 I90	F54-V79 HydrophobicContact CB-CG1 4.21Å; F54-V79 HydrophobicContact CB-CG2 4.49Å; V77-V79 HydrophobicContact CB-CG2 4.46Å; V77-V79 HydrophobicContact CG1-CG2 3.69Å; V77-V79 PolarHBondContact O-N 2.71Å; V77-V79 VanDerWaalsContact O-N 3.13Å; V79-F81 HydrophobicContact CG1-CD2 3.5Å; V79-F81 HydrophobicContact CG1-CE2 3.43Å; V79-F81 VanDerWaalsContact CG1-CE2 3.43Å; V79-F81 HydrophobicContact CG1-CG 4.41Å; V79-F81 HydrophobicContact CG1-CZ 4.29Å; V79-F81 PolarHBondContact O-N 3.29Å; V79-H88 PolarHBondContact N-O 3.49Å; V79-I90 HydrophobicContact CB-CD1 4.49Å; V79-I90 HydrophobicContact CG2-CD1 3.77Å; V79-I90 HydrophobicContact CG2-CG1 4.08Å
80	L	32	Very low	36.4	Very low	81 Å²	81	82.6 Å²	82.6	42%	0.424	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	96.3	164.9	-83	155.6	0	0	0	107.9	E78 Q82 K87	E78-L80 PolarHBondContact O-N 3.27Å; E78-L80 VanDerWaalsContact O-N 3.14Å; L80-Q82 PolarHBondContact O-N 3.1Å; L80-K87 HydrophobicContact CD2-CD 4.43Å; L80-K87 HydrophobicContact CD2-CG 3.8Å
81	F	28.5	Very low	36.1	Very low	85 Å²	85	84.3 Å²	84.3	37%	0.373	43%	0.426	S	S	.	.			trans	-66.9	122.8	166.8	-89.7	-86.7	0	0	0	108.7	N53 V79 S83	N53-F81 HydrophobicContact CB-CD1 4.49Å; N53-F81 HydrophobicContact CB-CE1 4.03Å; V79-F81 HydrophobicContact CG1-CD2 3.5Å; V79-F81 HydrophobicContact CG1-CE2 3.43Å; V79-F81 VanDerWaalsContact CG1-CE2 3.43Å; V79-F81 HydrophobicContact CG1-CG 4.41Å; V79-F81 HydrophobicContact CG1-CZ 4.29Å; V79-F81 PolarHBondContact O-N 3.29Å; F81-S83 PolarHBondContact O-N 3.33Å; F81-S83 VanDerWaalsContact O-N 3.17Å
82	Q	36	Very low	35.9	Very low	176 Å²	176	91.7 Å²	91.7	82%	0.822	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.4	-175.8	-105.2	178.7	-32.2	0	0	114.1	L80	L80-Q82 PolarHBondContact O-N 3.1Å
83	S	36.6	Very low	36	Very low	115 Å²	115	91 Å²	91	80%	0.804	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-5.1	-176.4	68.9	0	0	0	0	115.3	F81	F81-S83 PolarHBondContact O-N 3.33Å; F81-S83 VanDerWaalsContact O-N 3.17Å
84	S	35.3	Very low	36	Very low	53 Å²	53	98.1 Å²	98.1	37%	0.371	49%	0.485	S	S	.	.			trans	-138.2	135.2	-178.9	53.9	0	0	0	0	110.6	V86	S84-V86 PolarHBondContact O-N 3Å
85	K	40	Very low	36.8	Very low	224 Å²	224	95.1 Å²	95.1	97%	0.974	47%	0.465	S	S	*	.	S	Bend	trans	-60	7.9	174	-78.4	-179.8	175.8	175.2	0	113.7
86	V	35.7	Very low	37.6	Very low	75 Å²	75	99.5 Å²	99.5	46%	0.455	48%	0.481	S	S	.	.			trans	-96.2	104.9	-175	-165.7	0	0	0	0	109.1	S84 H88	S84-V86 PolarHBondContact O-N 3Å; V86-H88 WeakPolarHBondContact CG1-NE2 3.32Å; V86-H88 PolarHBondContact O-N 3.45Å
87	K	39.6	Very low	38.7	Very low	150 Å²	150	93.8 Å²	93.8	65%	0.652	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	98.3	168.5	-73.3	-178.6	179.7	-179.8	0	108.7	L80 V89	L80-K87 HydrophobicContact CD2-CD 4.43Å; L80-K87 HydrophobicContact CD2-CG 3.8Å; K87-V89 PolarHBondContact O-N 2.93Å
88	H	36.2	Very low	39.7	Very low	109 Å²	109	96.4 Å²	96.4	51%	0.505	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.6	167.2	-74	-76.3	0	0	0	109.3	V79 V86 I90	V79-H88 PolarHBondContact N-O 3.49Å; V86-H88 WeakPolarHBondContact CG1-NE2 3.32Å; V86-H88 PolarHBondContact O-N 3.45Å; H88-I90 PolarHBondContact O-N 3Å
89	V	38	Very low	40.8	Very low	54 Å²	54	91 Å²	91	33%	0.327	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102	170.8	-176.8	0	0	0	0	107	K76 K87 Y91	K76-V89 HydrophobicContact CD-CG1 4.09Å; K76-V89 HydrophobicContact CG-CG1 3.99Å; K87-V89 PolarHBondContact O-N 2.93Å; V89-Y91 HydrophobicContact CB-CE2 4.12Å; V89-Y91 HydrophobicContact CG1-CD2 4.07Å; V89-Y91 HydrophobicContact CG1-CE2 3.68Å; V89-Y91 WeakPolarHBondContact O-CD2 3.02Å; V89-Y91 PolarHBondContact O-N 2.98Å
90	I	38.9	Very low	42	Very low	74 Å²	74	91.9 Å²	91.9	38%	0.379	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.7	174.2	-57.6	-177	0	0	0	107.4	V77 V79 H88 T93	V77-I90 PolarHBondContact N-O 3.21Å; V77-I90 PolarHBondContact O-N 3.3Å; V79-I90 HydrophobicContact CB-CD1 4.49Å; V79-I90 HydrophobicContact CG2-CD1 3.77Å; V79-I90 HydrophobicContact CG2-CG1 4.08Å; H88-I90 PolarHBondContact O-N 3Å; I90-T93 HydrophobicContact CG2-CG2 4.45Å
91	Y	32.8	Very low	43.3	Very low	149 Å²	149	91.5 Å²	91.5	58%	0.584	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	132.9	173	-72.7	-101.2	0	0	0	109.1	K76 V89	K76-Y91 HydrophobicContact CD-CE1 4.28Å; K76-Y91 WeakPolarHBondContact CE-OH 3.16Å; K76-Y91 HydrophobicContact CG-CD1 4.44Å; K76-Y91 HydrophobicContact CG-CE1 4.47Å; K76-Y91 PolarHBondContact NZ-OH 2.91Å; V89-Y91 HydrophobicContact CB-CE2 4.12Å; V89-Y91 HydrophobicContact CG1-CD2 4.07Å; V89-Y91 HydrophobicContact CG1-CE2 3.68Å; V89-Y91 WeakPolarHBondContact O-CD2 3.02Å; V89-Y91 PolarHBondContact O-N 2.98Å
92	H	39	Very low	44.6	Very low	156 Å²	156	88.7 Å²	88.7	72%	0.722	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	67	49.8	165.8	-71.8	-77.2	0	0	0	119.1
93	T	42.3	Very low	45.7	Very low	53 Å²	53	83.3 Å²	83.3	33%	0.325	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119	158.6	23.8	0	0	0	0	110.7	I90 F95	I90-T93 HydrophobicContact CG2-CG2 4.45Å; T93-F95 HydrophobicContact CG2-CZ 4.36Å; T93-F95 VanDerWaalsContact O-CD2 3.3Å; T93-F95 WeakPolarHBondContact O-CD2 2.95Å; T93-F95 PolarHBondContact O-N 3.19Å; T93-F95 WeakPolarHBondContact OG1-CE2 3.46Å
94	K	43.4	Very low	46.8	Very low	157 Å²	157	79.8 Å²	79.8	68%	0.683	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	108.8	173.6	-84.2	177.5	-179.8	176.4	0	108.6	T74	T74-K94 HydrophobicContact CG2-CB 4.46Å; T74-K94 HydrophobicContact CG2-CD 4.32Å; T74-K94 HydrophobicContact CG2-CG 3.37Å
95	F	51.6	Low	47.9	Very low	19 Å²	19	79 Å²	79	8%	0.083	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.1	173.5	-66.7	-80	0	0	0	110.5	F15 I56 C72 L73 V77 T93 F97	F15-F95 AromaticContact CE2-CD1 3.74Å; F15-F95 HydrophobicContact CE2-CD1 3.74Å; F15-F95 AromaticContact CE2-CE1 3.38Å; F15-F95 HydrophobicContact CE2-CE1 3.38Å; F15-F95 HydrophobicContact CZ-CD1 4.4Å; F15-F95 AromaticContact CZ-CE1 3.67Å; F15-F95 HydrophobicContact CZ-CE1 3.67Å; I56-F95 HydrophobicContact CD1-CD1 4.42Å; I56-F95 HydrophobicContact CD1-CE1 4.45Å; I56-F95 HydrophobicContact CD1-CG 4.49Å; I56-F95 HydrophobicContact CD1-CZ 4.49Å; C72-F95 CarbonylContact C-O 3.58Å; L73-F95 PolarHBondContact N-O 3.33Å; L73-F95 PolarHBondContact O-N 3.42Å; V77-F95 HydrophobicContact CB-CE2 4.43Å; V77-F95 HydrophobicContact CG2-CD2 4Å; V77-F95 HydrophobicContact CG2-CE2 3.43Å; V77-F95 VanDerWaalsContact CG2-CE2 3.43Å; V77-F95 HydrophobicContact CG2-CZ 4.36Å; T93-F95 HydrophobicContact CG2-CZ 4.36Å; T93-F95 VanDerWaalsContact O-CD2 3.3Å; T93-F95 WeakPolarHBondContact O-CD2 2.95Å; T93-F95 PolarHBondContact O-N 3.19Å; T93-F95 WeakPolarHBondContact OG1-CE2 3.46Å; F95-F97 HydrophobicContact CB-CD2 4.01Å; F95-F97 HydrophobicContact CB-CE1 4.2Å; F95-F97 HydrophobicContact CB-CE2 3.18Å; F95-F97 HydrophobicContact CB-CZ 3.29Å; F95-F97 HydrophobicContact CD1-CZ 4.43Å; F95-F97 HydrophobicContact CG-CE2 4.19Å; F95-F97 AromaticContact CG-CZ 3.91Å; F95-F97 HydrophobicContact CG-CZ 3.91Å
96	K	51.2	Low	48.5	Very low	113 Å²	113	72.6 Å²	72.6	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.5	170.7	-76.2	-174.8	-179.1	177.5	0	109.5	I13 V14 L71 C72	I13-K96 HydrophobicContact CB-CB 3.93Å; I13-K96 WeakPolarHBondContact CB-O 3.35Å; I13-K96 HydrophobicContact CD1-CB 4.11Å; I13-K96 HydrophobicContact CG1-CB 4.32Å; I13-K96 PolarHBondContact N-O 3.16Å; V14-K96 HydrophobicContact CG2-CB 4.37Å; L71-K96 CarbonylContact O-C 3.6Å; L71-K96 VanDerWaalsContact O-CA 3.31Å; L71-K96 WeakPolarHBondContact O-CA 3.41Å; C72-K96 HydrophobicContact CB-CG 4.41Å
97	F	57.2	Low	49.1	Very low	0 Å²	0	76 Å²	76	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.1	174.9	-54	-80.8	0	0	0	110.9	V10 Q11 I49 I56 I58 L71 L73 F95	V10-F97 HydrophobicContact CG1-CB 4.21Å; V10-F97 HydrophobicContact CG1-CD1 4.14Å; V10-F97 HydrophobicContact CG1-CG 4.42Å; Q11-F97 CarbonylContact O-C 3.54Å; Q11-F97 WeakPolarHBondContact O-CA 3.3Å; I49-F97 HydrophobicContact CD1-CD1 4.15Å; I49-F97 HydrophobicContact CD1-CE1 3.74Å; I49-F97 HydrophobicContact CD1-CZ 4.37Å; I56-F97 HydrophobicContact CD1-CE1 4.49Å; I56-F97 HydrophobicContact CD1-CZ 4.02Å; I56-F97 HydrophobicContact CG2-CZ 4.35Å; I58-F97 HydrophobicContact CD1-CE2 4.48Å; L71-F97 HydrophobicContact CB-CB 4.46Å; L71-F97 PolarHBondContact N-O 2.7Å; L71-F97 PolarHBondContact O-N 3.11Å; L73-F97 HydrophobicContact CB-CD2 4.05Å; L73-F97 HydrophobicContact CB-CE2 3.93Å; L73-F97 HydrophobicContact CD1-CD2 3.87Å; L73-F97 HydrophobicContact CD1-CE2 4.16Å; F95-F97 HydrophobicContact CB-CD2 4.01Å; F95-F97 HydrophobicContact CB-CE1 4.2Å; F95-F97 HydrophobicContact CB-CE2 3.18Å; F95-F97 HydrophobicContact CB-CZ 3.29Å; F95-F97 HydrophobicContact CD1-CZ 4.43Å; F95-F97 HydrophobicContact CG-CE2 4.19Å; F95-F97 AromaticContact CG-CZ 3.91Å; F95-F97 HydrophobicContact CG-CZ 3.91Å
98	K	54.3	Low	49.7	Very low	58 Å²	58	72 Å²	72	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.2	168.8	-139.9	176.5	170.3	-171.8	0	107.7	V10 Q11 I13 H70 H100	V10-K98 CarbonylContact C-O 3.52Å; V10-K98 WeakPolarHBondContact CA-O 3.02Å; Q11-K98 HydrophobicContact CB-CB 4.29Å; Q11-K98 PolarHBondContact N-O 2.81Å; Q11-K98 PolarHBondContact O-N 3.35Å; I13-K98 HydrophobicContact CD1-CB 4.44Å; H70-K98 VanDerWaalsContact NE2-CE 3.29Å; H70-K98 WeakPolarHBondContact NE2-CE 3.18Å; K98-H100 VanDerWaalsContact CD-NE2 3.28Å; K98-H100 WeakPolarHBondContact CD-NE2 3.31Å; K98-H100 VanDerWaalsContact CG-NE2 3.35Å; K98-H100 WeakPolarHBondContact CG-NE2 3.43Å
99	I	57	Low	50	Low	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.2	-179.1	-54.1	-169.3	0	0	0	108.5	L8 C9 V10 I63 T67 G68 L71	L8-I99 HydrophobicContact CD1-CG2 3.55Å; L8-I99 HydrophobicContact CG-CG2 4.3Å; C9-I99 CarbonylContact O-C 3.51Å; C9-I99 WeakPolarHBondContact O-CA 3.13Å; V10-I99 HydrophobicContact CG1-CG1 4.36Å; V10-I99 HydrophobicContact CG2-CD1 4.35Å; V10-I99 HydrophobicContact CG2-CG1 4.13Å; V10-I99 HydrophobicContact CG2-CG2 4.32Å; I63-I99 HydrophobicContact CG1-CD1 3.76Å; I63-I99 HydrophobicContact CG2-CG2 4.41Å; T67-I99 HydrophobicContact CG2-CG2 4.34Å; G68-I99 PolarHBondContact N-O 2.82Å; L71-I99 HydrophobicContact CD1-CD1 3.38Å; L71-I99 HydrophobicContact CD1-CG1 3.88Å
100	H	56.6	Low	50.3	Low	29 Å²	29	74.9 Å²	74.9	13%	0.134	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.6	179.6	-64.9	-118.9	0	0	0	108.7	L8 C9 K98 I119 L120	L8-H100 CarbonylContact C-O 3.44Å; L8-H100 WeakPolarHBondContact CA-O 3.4Å; C9-H100 HydrophobicContact CB-CB 4.22Å; C9-H100 PolarHBondContact N-O 3.32Å; C9-H100 PolarHBondContact O-N 2.79Å; K98-H100 VanDerWaalsContact CD-NE2 3.28Å; K98-H100 WeakPolarHBondContact CD-NE2 3.31Å; K98-H100 VanDerWaalsContact CG-NE2 3.35Å; K98-H100 WeakPolarHBondContact CG-NE2 3.43Å; H100-I119 HydrophobicContact CB-CG2 3.31Å; H100-I119 PolarHBondContact CE1-O 3.28Å; H100-I119 PolarHBondContact ND1-O 3.29Å; H100-L120 HydrophobicContact CB-CD2 4.22Å; H100-L120 WeakPolarHBondContact CD2-CD2 3.47Å
101	M	59.2	Low	50.2	Low	72 Å²	72	80.6 Å²	80.6	36%	0.355	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.5	178.8	-165	175.7	80.4	0	0	108.9	I7 L8 M40 T67	I7-M101 CarbonylContact O-C 3.58Å; I7-M101 VanDerWaalsContact O-CA 3.29Å; I7-M101 WeakPolarHBondContact O-CA 3.23Å; L8-M101 HydrophobicContact CD1-CB 4.08Å; L8-M101 HydrophobicContact CD1-CG 4.16Å; L8-M101 HydrophobicContact CD1-SD 4.42Å; M40-M101 HydrophobicContact CE-CG 4.34Å; M40-M101 HydrophobicContact CE-SD 3.58Å; M40-M101 VanDerWaalsContact CE-SD 3.58Å; T67-M101 HydrophobicContact CG2-CB 3.66Å; T67-M101 HydrophobicContact CG2-SD 4.42Å
102	A	56.9	Low	50.3	Low	26 Å²	26	75.9 Å²	75.9	22%	0.215	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.1	177	0	0	0	0	0	110.2	R6 I7 I104 I119	R6-A102 CarbonylContact C-O 3.59Å; R6-A102 WeakPolarHBondContact CA-O 3.45Å; I7-A102 PolarHBondContact N-O 3Å; I7-A102 PolarHBondContact O-N 2.96Å; A102-I104 HydrophobicContact CB-CG1 4.48Å; A102-I119 HydrophobicContact CB-CD1 3.69Å; A102-I119 HydrophobicContact CB-CG1 3.89Å
103	T	57.5	Low	50.1	Low	63 Å²	63	74 Å²	74	39%	0.387	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.6	172.2	-42.5	0	0	0	0	107.4	W4 L5 R6 I25	W4-T103 HydrophobicContact CB-CG2 4.35Å; W4-T103 HydrophobicContact CE3-CG2 4.33Å; L5-T103 CarbonylContact O-C 3.57Å; L5-T103 WeakPolarHBondContact O-CA 3.38Å; R6-T103 HydrophobicContact CG-CG2 3.94Å; R6-T103 WeakPolarHBondContact CG-OG1 3.37Å; R6-T103 PolarHBondContact NE-OG1 3.21Å; I25-T103 HydrophobicContact CD1-CG2 3.97Å
104	I	60.5	Low	49.7	Very low	41 Å²	41	75.7 Å²	75.7	21%	0.21	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.3	-172.9	-46.8	-177.8	0	0	0	108.2	L5 I7 A102 T108 I115	L5-I104 PolarHBondContact N-O 3.4Å; L5-I104 PolarHBondContact O-N 3.47Å; I7-I104 HydrophobicContact CD1-CD1 3.67Å; I7-I104 HydrophobicContact CD1-CG1 4.34Å; A102-I104 HydrophobicContact CB-CG1 4.48Å; I104-T108 HydrophobicContact CG2-CG2 4.01Å; I104-T108 VanDerWaalsContact CG2-OG1 3.26Å; I104-T108 WeakPolarHBondContact CG2-OG1 3.39Å; I104-I115 HydrophobicContact CD1-CG2 3.81Å
105	S	57.3	Low	49.6	Very low	37 Å²	37	69.8 Å²	69.8	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.4	174.4	124	0	0	0	0	110.2	N107 T108	S105-N107 PolarHBondContact O-N 2.81Å; S105-N107 PolarHBondContact OG-N 2.78Å; S105-T108 PolarHBondContact O-N 3.33Å; S105-T108 PolarHBondContact O-OG1 3.35Å
106	K	53.4	Low	48.8	Very low	89 Å²	89	70.7 Å²	70.7	39%	0.387	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.6	-177.6	-165.7	-176.9	-167.4	-173.5	0	113.5	E3 L5 L24 T108 L110	E3-K106 HydrophobicContact CB-CB 3.97Å; E3-K106 HydrophobicContact CB-CD 3.68Å; E3-K106 HydrophobicContact CB-CG 4.48Å; E3-K106 HydrophobicContact CG-CD 4.43Å; E3-K106 WeakPolarHBondContact O-CB 3.22Å; E3-K106 PolarHBondContact O-N 2.89Å; E3-K106 WeakPolarHBondContact OE2-CD 3.3Å; E3-K106 VanDerWaalsContact OE2-CE 3.28Å; E3-K106 WeakPolarHBondContact OE2-CE 3.33Å; E3-K106 IonicContact OE2-NZ 3.1Å; E3-K106 PolarHBondContact OE2-NZ 2.77Å; L5-K106 HydrophobicContact CD1-CB 4.2Å; L5-K106 HydrophobicContact CD1-CG 3.88Å; L24-K106 HydrophobicContact CD2-CD 3.8Å; K106-T108 PolarHBondContact O-N 3.49Å; K106-L110 HydrophobicContact CG-CD1 4.45Å
107	N	48.4	Very low	48.1	Very low	148 Å²	148	72 Å²	72	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.6	176.6	-90	6	0	0	0	114.3	S105 N109	S105-N107 PolarHBondContact O-N 2.81Å; S105-N107 PolarHBondContact OG-N 2.78Å; N107-N109 PolarHBondContact O-N 2.75Å
108	T	51.2	Low	47.1	Very low	66 Å²	66	83.1 Å²	83.1	41%	0.405	43%	0.426	S	S	.	.	S	Bend	trans	-72.3	120.4	166.6	54.5	0	0	0	0	108.4	I104 S105 K106 L110	I104-T108 HydrophobicContact CG2-CG2 4.01Å; I104-T108 VanDerWaalsContact CG2-OG1 3.26Å; I104-T108 WeakPolarHBondContact CG2-OG1 3.39Å; S105-T108 PolarHBondContact O-N 3.33Å; S105-T108 PolarHBondContact O-OG1 3.35Å; K106-T108 PolarHBondContact O-N 3.49Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-L110 WeakPolarHBondContact O-CA 3.44Å; T108-L110 WeakPolarHBondContact O-CD1 3.48Å; T108-L110 WeakPolarHBondContact O-CG 3.29Å; T108-L110 PolarHBondContact O-N 2.93Å
109	N	42.8	Very low	46.7	Very low	160 Å²	160	81.6 Å²	81.6	86%	0.856	42%	0.421	S	S	*	.			trans	-45.2	93.3	177	-102.9	-33.2	0	0	0	111.5	N107 K111	N107-N109 PolarHBondContact O-N 2.75Å; N109-K111 PolarHBondContact O-N 3.12Å
110	L	45.8	Very low	45.8	Very low	62 Å²	62	84.6 Å²	84.6	33%	0.325	44%	0.437	S	S	.	.			trans	-84.2	29.5	-167.7	-103	137.6	0	0	0	112.5	L5 K106 T108 S112 I115	L5-L110 HydrophobicContact CD1-CD1 3.29Å; L5-L110 HydrophobicContact CD1-CD2 4.04Å; L5-L110 HydrophobicContact CD1-CG 4.32Å; K106-L110 HydrophobicContact CG-CD1 4.45Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-L110 WeakPolarHBondContact O-CA 3.44Å; T108-L110 WeakPolarHBondContact O-CD1 3.48Å; T108-L110 WeakPolarHBondContact O-CG 3.29Å; T108-L110 PolarHBondContact O-N 2.93Å; L110-S112 PolarHBondContact O-N 3.26Å; L110-S112 VanDerWaalsContact O-N 3.12Å; L110-I115 HydrophobicContact CD2-CD1 3.31Å; L110-I115 HydrophobicContact CG-CD1 4.05Å
111	K	36.8	Very low	45.3	Very low	194 Å²	194	87.4 Å²	87.4	84%	0.843	45%	0.452	S	S	*	.			trans	-74.2	5.1	-177.8	-86.3	-167.9	176.4	-177.1	0	114.3	N109	N109-K111 PolarHBondContact O-N 3.12Å
112	S	33	Very low	44.5	Very low	51 Å²	51	88.2 Å²	88.2	36%	0.357	46%	0.457	S	S	.	.			trans	-123.1	118.6	-167.4	-137.6	0	0	0	0	114.4	L110 L114 I115	L110-S112 PolarHBondContact O-N 3.26Å; L110-S112 VanDerWaalsContact O-N 3.12Å; S112-L114 PolarHBondContact O-N 3.27Å; S112-L114 WeakPolarHBondContact OG-CB 3.17Å; S112-L114 WeakPolarHBondContact OG-CD1 3.43Å; S112-L114 WeakPolarHBondContact OG-CG 3.47Å; S112-I115 PolarHBondContact O-N 2.81Å
113	P	34.8	Very low	43.8	Very low	115 Å²	115	91.7 Å²	91.7	75%	0.747	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-5.1	162.6	23.2	-30.8	0	0	0	113.1	I115	P113-I115 PolarHBondContact O-N 3.41Å
114	L	34.9	Very low	43	Very low	89 Å²	89	93.4 Å²	93.4	47%	0.466	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.9	172.4	-63.7	174.9	0	0	0	114.9	S112 C116 Q117 R118	S112-L114 PolarHBondContact O-N 3.27Å; S112-L114 WeakPolarHBondContact OG-CB 3.17Å; S112-L114 WeakPolarHBondContact OG-CD1 3.43Å; S112-L114 WeakPolarHBondContact OG-CG 3.47Å; L114-C116 PolarHBondContact O-N 3.04Å; L114-Q117 WeakPolarHBondContact O-CB 3.2Å; L114-Q117 PolarHBondContact O-N 3.05Å; L114-R118 PolarHBondContact O-N 3.31Å
115	I	41	Very low	41.9	Very low	33 Å²	33	96.6 Å²	96.6	17%	0.169	49%	0.492	C	S	.	.	H	α-helix	trans	-63.3	-34.1	177.8	-67	164.6	0	0	0	111	I7 I104 L110 S112 P113 Q117 R118 I119	I7-I115 HydrophobicContact CD1-CB 4.36Å; I7-I115 HydrophobicContact CD1-CD1 4.33Å; I7-I115 HydrophobicContact CD1-CG2 3.29Å; I7-I115 HydrophobicContact CG2-CG2 4.42Å; I104-I115 HydrophobicContact CD1-CG2 3.81Å; L110-I115 HydrophobicContact CD2-CD1 3.31Å; L110-I115 HydrophobicContact CG-CD1 4.05Å; S112-I115 PolarHBondContact O-N 2.81Å; P113-I115 PolarHBondContact O-N 3.41Å; I115-Q117 VanDerWaalsContact C-N 3.29Å; I115-Q117 PolarHBondContact O-N 2.88Å; I115-R118 PolarHBondContact O-N 3.36Å; I115-I119 HydrophobicContact CG2-CD1 3.39Å; I115-I119 HydrophobicContact CG2-CG1 4.12Å; I115-I119 WeakPolarHBondContact O-CB 3.26Å; I115-I119 WeakPolarHBondContact O-CD1 3.28Å; I115-I119 WeakPolarHBondContact O-CG1 3.09Å; I115-I119 PolarHBondContact O-N 2.72Å
116	C	35.2	Very low	40.9	Very low	39 Å²	39	100.6 Å²	100.6	26%	0.264	51%	0.507	S	S	.	.	H	α-helix	trans	-59.3	-41.4	171	-52.8	0	0	0	0	111.9	C20 L114 I119 L120	C20-C116 HydrophobicContact CB-CB 4.28Å; C20-C116 WeakPolarHBondContact CB-SG 3.41Å; C20-C116 WeakPolarHBondContact SG-CB 3.35Å; C20-C116 PolarHBondContact SG-SG 3.5Å; L114-C116 PolarHBondContact O-N 3.04Å; C116-I119 PolarHBondContact O-N 3.03Å; C116-L120 WeakPolarHBondContact O-CB 2.96Å; C116-L120 VanDerWaalsContact O-CG 3.25Å; C116-L120 WeakPolarHBondContact O-CG 3.37Å; C116-L120 PolarHBondContact O-N 2.56Å; C116-L120 VanDerWaalsContact O-N 3.11Å
117	Q	36.5	Very low	40	Very low	140 Å²	140	101.4 Å²	101.4	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-74.3	-26.9	179.9	-74.9	-174.2	-13.5	0	0	113.7	L114 I115	L114-Q117 WeakPolarHBondContact O-CB 3.2Å; L114-Q117 PolarHBondContact O-N 3.05Å; I115-Q117 VanDerWaalsContact C-N 3.29Å; I115-Q117 PolarHBondContact O-N 2.88Å
118	R	36.6	Very low	39.4	Very low	233 Å²	233	97.8 Å²	97.8	88%	0.879	50%	0.495	S	S	*	.	H	α-helix	trans	-81	-25.1	173.4	-87	-173.5	168.4	-178.1	-3.2	113.2	L114 I115	L114-R118 PolarHBondContact O-N 3.31Å; I115-R118 PolarHBondContact O-N 3.36Å
119	I	44.5	Very low	38.4	Very low	26 Å²	26	100.5 Å²	100.5	13%	0.133	50%	0.502	C	S	.	.	H	α-helix	trans	-84.8	-32.1	-179	-71.4	172.1	0	0	0	111.4	I7 C9 H100 A102 I115 C116	I7-I119 HydrophobicContact CB-CD1 3.78Å; I7-I119 HydrophobicContact CD1-CD1 4.28Å; I7-I119 HydrophobicContact CG2-CD1 3.57Å; C9-I119 HydrophobicContact CB-CG2 3.9Å; H100-I119 HydrophobicContact CB-CG2 3.31Å; H100-I119 PolarHBondContact CE1-O 3.28Å; H100-I119 PolarHBondContact ND1-O 3.29Å; A102-I119 HydrophobicContact CB-CD1 3.69Å; A102-I119 HydrophobicContact CB-CG1 3.89Å; I115-I119 HydrophobicContact CG2-CD1 3.39Å; I115-I119 HydrophobicContact CG2-CG1 4.12Å; I115-I119 WeakPolarHBondContact O-CB 3.26Å; I115-I119 WeakPolarHBondContact O-CD1 3.28Å; I115-I119 WeakPolarHBondContact O-CG1 3.09Å; I115-I119 PolarHBondContact O-N 2.72Å; C116-I119 PolarHBondContact O-N 3.03Å
120	L	38.8	Very low	38	Very low	64 Å²	64	95.1 Å²	95.1	34%	0.335	47%	0.47	S	S	.	.			trans	-92.7	0	-178.9	-66.8	175.4	0	0	0	112.8	C9 Q11 H100 C116	C9-L120 HydrophobicContact CB-CD1 4.46Å; C9-L120 HydrophobicContact CB-CD2 3.88Å; C9-L120 HydrophobicContact CB-CG 4.09Å; Q11-L120 HydrophobicContact CB-CD1 4.09Å; Q11-L120 HydrophobicContact CB-CD2 3.7Å; Q11-L120 HydrophobicContact CG-CD1 4.39Å; H100-L120 HydrophobicContact CB-CD2 4.22Å; H100-L120 WeakPolarHBondContact CD2-CD2 3.47Å; C116-L120 WeakPolarHBondContact O-CB 2.96Å; C116-L120 VanDerWaalsContact O-CG 3.25Å; C116-L120 WeakPolarHBondContact O-CG 3.37Å; C116-L120 PolarHBondContact O-N 2.56Å; C116-L120 VanDerWaalsContact O-N 3.11Å

Retrieved 120 of 120 residues in 81.2 ms (Link to these results)

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