A0A087Y889_POEFO Loading...

DIRAS family, GTP-binding RAS-like 1a

Displays low GTPase activity and exists predominantly in the GTP-bound form.

AlphaFold DB , UniProt , Accession A0A087Y889, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	73.6	Confident	234 Å²	234	89.5 Å²	89.5	100%	1.153	46%	0.459	S	S	*	.				0	132.5	0	-61.2	-163.7	169.1	0	0	106.6	E3	M1-E3 PolarHBondContact O-N 3.25Å
2	P	42.9	Very low	75.7	Confident	131 Å²	131	82.2 Å²	82.2	85%	0.851	42%	0.422	S	S	*	.			trans	-63.9	126.5	178.4	16.7	-13	0	0	0	108	Q4	P2-Q4 PolarHBondContact O-N 2.94Å
3	E	45.9	Very low	77.4	Confident	188 Å²	188	76.2 Å²	76.2	88%	0.879	39%	0.391	S	S	*	.			trans	-50.2	127.7	174.4	-83.4	-178.9	147.6	0	0	109	M1 S5	M1-E3 PolarHBondContact O-N 3.25Å; E3-S5 PolarHBondContact O-N 3.25Å
4	Q	53.1	Low	78.8	Confident	195 Å²	195	71.4 Å²	71.4	91%	0.911	37%	0.37	S	S	*	.			trans	-65.5	104.8	175.1	-144.3	155.2	30.5	0	0	106.5	P2 N6	P2-Q4 PolarHBondContact O-N 2.94Å; Q4-N6 PolarHBondContact O-N 2.62Å; Q4-N6 VanDerWaalsContact O-N 3.12Å
5	S	64.5	Low	79.9	Confident	66 Å²	66	67.2 Å²	67.2	46%	0.462	35%	0.35	S	S	.	.			trans	-52.3	122.8	-178	64.3	0	0	0	0	108.8	E3 D7	E3-S5 PolarHBondContact O-N 3.25Å; S5-D7 PolarHBondContact O-N 2.9Å
6	N	82.2	Confident	80.8	Confident	73 Å²	73	65.4 Å²	65.4	39%	0.39	35%	0.352	S	S	.	.			trans	-71.1	19	179.7	-163.3	19.5	0	0	0	112.8	Q4 Y8 C55 R171	Q4-N6 PolarHBondContact O-N 2.62Å; Q4-N6 VanDerWaalsContact O-N 3.12Å; N6-Y8 PolarHBondContact O-N 2.85Å; N6-C55 HydrophobicContact CB-CB 4.07Å; N6-C55 VanDerWaalsContact O-CB 3.22Å; N6-C55 WeakPolarHBondContact O-CB 3.12Å; N6-R171 PolarHBondContact O-NH1 3.12Å
7	D	91.3	Very high	81.6	Confident	20 Å²	20	63.1 Å²	63.1	11%	0.107	35%	0.348	C	S	.	.			trans	-60.9	137.9	-169.8	-65.4	-4.3	0	0	0	111.7	S5 R45 T56 Q58 H80 R171	S5-D7 PolarHBondContact O-N 2.9Å; D7-R45 IonicContact OD2-NH1 3.89Å; D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.31Å; D7-T56 WeakPolarHBondContact OD1-CB 3.41Å; D7-Q58 HydrophobicContact CB-CG 4.39Å; D7-Q58 PolarHBondContact OD2-NE2 3.04Å; D7-H80 PolarHBondContact O-CE1 2.92Å; D7-H80 PolarHBondContact O-ND1 2.89Å; D7-R171 PolarHBondContact O-NH1 3.35Å
8	Y	95.8	Very high	82.5	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	169.1	-160.6	-102.8	0	0	0	108.9	N6 V10 T56 L57 Q58 H80 A81 L165 D168 M173	N6-Y8 PolarHBondContact O-N 2.85Å; Y8-V10 HydrophobicContact CD1-CG2 4.15Å; Y8-V10 HydrophobicContact CE1-CG2 4.19Å; Y8-T56 PolarHBondContact N-O 2.53Å; Y8-L57 HydrophobicContact CD1-CD1 3.94Å; Y8-L57 CarbonylContact O-C 3.6Å; Y8-L57 WeakPolarHBondContact O-CA 3.12Å; Y8-Q58 PolarHBondContact O-N 2.95Å; Y8-H80 HydrophobicContact CD2-CB 4.04Å; Y8-H80 HydrophobicContact CE1-CB 4.41Å; Y8-H80 HydrophobicContact CE2-CB 3.65Å; Y8-A81 HydrophobicContact CE1-CB 3.85Å; Y8-L165 HydrophobicContact CD1-CD2 3.54Å; Y8-L165 HydrophobicContact CE1-CD2 3.66Å; Y8-L165 HydrophobicContact CG-CD2 4.39Å; Y8-D168 HydrophobicContact CE2-CB 4.49Å; Y8-D168 WeakPolarHBondContact CE2-OD2 3.26Å; Y8-D168 WeakPolarHBondContact OH-CB 3.23Å; Y8-D168 PolarHBondContact OH-OD2 3.13Å; Y8-M173 HydrophobicContact CD1-CE 4.25Å; Y8-M173 HydrophobicContact CD1-SD 4.08Å; Y8-M173 HydrophobicContact CD2-CE 3.83Å; Y8-M173 HydrophobicContact CD2-SD 3.49Å; Y8-M173 WeakPolarHBondContact CD2-SD 3.3Å; Y8-M173 HydrophobicContact CE1-CE 3.98Å; Y8-M173 HydrophobicContact CE1-SD 4.41Å; Y8-M173 HydrophobicContact CE2-CE 3.53Å; Y8-M173 HydrophobicContact CE2-SD 3.88Å; Y8-M173 HydrophobicContact CG-CE 4.17Å; Y8-M173 HydrophobicContact CG-SD 3.59Å; Y8-M173 VanDerWaalsContact CG-SD 3.59Å
9	R	97.1	Very high	83.2	Confident	71 Å²	71	57.3 Å²	57.3	27%	0.268	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112	-165.7	-67.3	179.8	-177.6	162.8	5.4	108.8	Q58 K78 H80 A81	R9-Q58 CarbonylContact C-O 3.56Å; R9-Q58 WeakPolarHBondContact CA-O 3.37Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; R9-K78 WeakPolarHBondContact CD-O 3.4Å; R9-H80 PolarHBondContact N-ND1 3.38Å; R9-H80 WeakPolarHBondContact O-CA 3.4Å; R9-H80 PolarHBondContact O-N 3.29Å; R9-A81 PolarHBondContact O-N 3.23Å; R9-A81 VanDerWaalsContact O-N 3.1Å
10	V	98.3	Very high	84	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.5	174.8	176.7	0	0	0	0	108.1	Y8 L57 Q58 I59 T60 A81 I83 L164	Y8-V10 HydrophobicContact CD1-CG2 4.15Å; Y8-V10 HydrophobicContact CE1-CG2 4.19Å; V10-L57 HydrophobicContact CG2-CD1 3.65Å; V10-Q58 PolarHBondContact N-O 2.8Å; V10-I59 HydrophobicContact CB-CG1 4.39Å; V10-I59 WeakPolarHBondContact O-CA 3.29Å; V10-T60 PolarHBondContact O-N 2.77Å; V10-A81 WeakPolarHBondContact CA-O 3.37Å; V10-A81 HydrophobicContact CG2-CB 4.22Å; V10-I83 HydrophobicContact CG1-CD1 3.79Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V10-L164 HydrophobicContact CB-CD2 4.44Å; V10-L164 HydrophobicContact CG1-CD2 3.67Å; V10-L164 HydrophobicContact CG2-CD2 3.86Å
11	V	98.3	Very high	84.6	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.2	174.6	-172.3	0	0	0	0	109.3	F13 T62 A81 F82 I83	V11-F13 HydrophobicContact CB-CE2 4.11Å; V11-F13 HydrophobicContact CB-CZ 4.49Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 4.04Å; V11-F13 HydrophobicContact CG1-CE2 3.52Å; V11-F13 HydrophobicContact CG1-CZ 3.5Å; V11-F13 VanDerWaalsContact CG1-CZ 3.5Å; V11-T62 HydrophobicContact CG1-CG2 3.95Å; V11-A81 PolarHBondContact N-O 2.89Å; V11-F82 HydrophobicContact CB-CD1 4Å; V11-F82 HydrophobicContact CB-CE1 4.16Å; V11-F82 HydrophobicContact CG2-CE1 4.26Å; V11-F82 WeakPolarHBondContact O-CA 3.15Å; V11-I83 PolarHBondContact O-N 3.39Å
12	V	98.4	Very high	87.3	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.5	-178.3	-169.5	0	0	0	0	109.6	K20 V24 I59 T60 T62 I83 V85	V12-K20 HydrophobicContact CG1-CB 3.87Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.97Å; V12-V24 HydrophobicContact CG2-CG2 3.9Å; V12-I59 HydrophobicContact CG2-CG2 3.87Å; V12-T60 PolarHBondContact N-O 2.7Å; V12-T62 WeakPolarHBondContact O-CB 3.13Å; V12-T62 VanDerWaalsContact O-CG2 3.29Å; V12-T62 WeakPolarHBondContact O-CG2 3.27Å; V12-T62 PolarHBondContact O-OG1 2.79Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.34Å; V12-I83 HydrophobicContact CG2-CB 4.35Å; V12-I83 HydrophobicContact CG2-CD1 4.32Å; V12-V85 HydrophobicContact CG1-CG2 3.68Å
13	F	97.8	Very high	89.9	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.022	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	162.6	177.2	-68.3	-65.8	0	0	0	111.6	V11 T62 Q72 I76 F82 I83 L84 V85 I100 I104	V11-F13 HydrophobicContact CB-CE2 4.11Å; V11-F13 HydrophobicContact CB-CZ 4.49Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 4.04Å; V11-F13 HydrophobicContact CG1-CE2 3.52Å; V11-F13 HydrophobicContact CG1-CZ 3.5Å; V11-F13 VanDerWaalsContact CG1-CZ 3.5Å; F13-T62 HydrophobicContact CD1-CG2 4.12Å; F13-T62 HydrophobicContact CE1-CG2 3.98Å; F13-Q72 HydrophobicContact CE1-CG 4.1Å; F13-Q72 HydrophobicContact CZ-CG 4.33Å; F13-I76 HydrophobicContact CE2-CG1 4.04Å; F13-I76 HydrophobicContact CZ-CG1 4Å; F13-F82 HydrophobicContact CD2-CD1 4.3Å; F13-F82 AromaticContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CE1 4.25Å; F13-I83 PolarHBondContact N-O 3.44Å; F13-L84 HydrophobicContact CB-CD2 3.89Å; F13-L84 HydrophobicContact CD2-CD2 4.27Å; F13-V85 PolarHBondContact O-N 3.32Å; F13-I100 HydrophobicContact CB-CG1 4.05Å; F13-I100 HydrophobicContact CB-CG2 4.49Å; F13-I100 HydrophobicContact CD1-CD1 4.3Å; F13-I100 HydrophobicContact CD1-CG1 4.06Å; F13-I100 HydrophobicContact CD2-CD1 4.17Å; F13-I100 HydrophobicContact CD2-CG1 3.76Å; F13-I100 HydrophobicContact CE1-CD1 4.19Å; F13-I100 HydrophobicContact CE1-CG1 4.43Å; F13-I100 HydrophobicContact CE2-CD1 4.04Å; F13-I100 HydrophobicContact CE2-CG1 4.15Å; F13-I100 HydrophobicContact CG-CD1 4.29Å; F13-I100 HydrophobicContact CG-CG1 3.7Å; F13-I100 HydrophobicContact CZ-CD1 4.05Å; F13-I100 HydrophobicContact CZ-CG1 4.47Å; F13-I104 HydrophobicContact CD2-CD1 4.33Å; F13-I104 HydrophobicContact CE2-CD1 4.47Å
14	G	97.4	Very high	92.4	Very high	9 Å²	9	28.8 Å²	28.8	9%	0.093	17%	0.173	C	C	.	.			trans	144.6	159.1	-177.4	0	0	0	0	0	112	K20 G64 V85	G14-K20 WeakPolarHBondContact O-CE 3.48Å; G14-K20 PolarHBondContact O-NZ 2.76Å; G14-G64 WeakPolarHBondContact O-CA 3.28Å; G14-V85 WeakPolarHBondContact CA-O 3.46Å
15	A	95.9	Very high	94.4	Very high	8 Å²	8	21.1 Å²	21.1	7%	0.066	14%	0.138	C	C	.	.			trans	-59.2	169.3	-177.1	0	0	0	0	0	113.3	V18 K20 E96	A15-V18 HydrophobicContact CB-CG1 3.86Å; A15-V18 VanDerWaalsContact O-CG2 3.28Å; A15-V18 WeakPolarHBondContact O-CG2 3.43Å; A15-K20 PolarHBondContact O-NZ 2.92Å; A15-E96 WeakPolarHBondContact CB-OE2 3.45Å
16	G	94.1	Very high	96	Very high	38 Å²	38	20.2 Å²	20.2	39%	0.392	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	143.6	170.4	0	0	0	0	0	111.3	V18	G16-V18 PolarHBondContact O-N 2.91Å; G16-V18 VanDerWaalsContact O-N 3.09Å
17	G	94.2	Very high	96.7	Very high	27 Å²	27	17.7 Å²	17.7	28%	0.278	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-1.1	173	0	0	0	0	0	117.5	G19 Y36 K122	G17-G19 PolarHBondContact O-N 3.27Å; G17-Y36 PolarHBondContact N-OH 3.31Å; G17-K122 VanDerWaalsContact O-CE 3.3Å; G17-K122 WeakPolarHBondContact O-CE 3.4Å; G17-K122 PolarHBondContact O-NZ 3.08Å
18	V	97.1	Very high	96.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	12%	0.117	C	C	.	.	S	Bend	trans	-71.1	-15	177.6	-56.3	0	0	0	0	113.7	A15 G16 K20 V85 A87 N121	A15-V18 HydrophobicContact CB-CG1 3.86Å; A15-V18 VanDerWaalsContact O-CG2 3.28Å; A15-V18 WeakPolarHBondContact O-CG2 3.43Å; G16-V18 PolarHBondContact O-N 2.91Å; G16-V18 VanDerWaalsContact O-N 3.09Å; V18-K20 HydrophobicContact CG2-CD 4.48Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-V85 HydrophobicContact CB-CG1 4.27Å; V18-V85 HydrophobicContact CG2-CB 3.97Å; V18-V85 HydrophobicContact CG2-CG1 3.79Å; V18-A87 HydrophobicContact CB-CB 4.37Å; V18-A87 HydrophobicContact CG1-CB 4.4Å; V18-N121 PolarHBondContact O-ND2 3.08Å
19	G	97.2	Very high	96.8	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	14%	0.143	C	C	.	.	S	Bend	trans	99.4	24.7	175.6	0	0	0	0	0	115.9	G17 S22 L23	G17-G19 PolarHBondContact O-N 3.27Å; G19-S22 PolarHBondContact O-N 2.87Å; G19-L23 PolarHBondContact O-N 3.39Å
20	K	97.5	Very high	96.7	Very high	10 Å²	10	23.5 Å²	23.5	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-50.2	-57.8	172.7	-57.4	-174.4	-61.9	-72	0	112	V12 G14 A15 V18 S22 L23 V24 D61 T62 G64 V85	V12-K20 HydrophobicContact CG1-CB 3.87Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.97Å; G14-K20 WeakPolarHBondContact O-CE 3.48Å; G14-K20 PolarHBondContact O-NZ 2.76Å; A15-K20 PolarHBondContact O-NZ 2.92Å; V18-K20 HydrophobicContact CG2-CD 4.48Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-S22 VanDerWaalsContact C-N 3.29Å; K20-S22 PolarHBondContact O-N 2.83Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.17Å; K20-V24 WeakPolarHBondContact O-CG2 3.49Å; K20-V24 PolarHBondContact O-N 2.93Å; K20-D61 WeakPolarHBondContact CB-OD1 3.49Å; K20-T62 WeakPolarHBondContact CE-O 3.46Å; K20-G64 VanDerWaalsContact NZ-CA 3.3Å; K20-V85 HydrophobicContact CG-CB 4.2Å; K20-V85 HydrophobicContact CG-CG2 4.29Å
21	S	96.8	Very high	96.5	Very high	25 Å²	25	26.5 Å²	26.5	18%	0.175	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-37.5	178.7	-47.6	0	0	0	0	112.5	V24 L25 T39 D61	S21-V24 PolarHBondContact O-N 3.04Å; S21-L25 VanDerWaalsContact O-CB 3.22Å; S21-L25 WeakPolarHBondContact O-CB 3.32Å; S21-L25 VanDerWaalsContact O-CG 3.25Å; S21-L25 WeakPolarHBondContact O-CG 3.31Å; S21-L25 PolarHBondContact O-N 3.23Å; S21-T39 PolarHBondContact OG-OG1 3.42Å; S21-D61 WeakPolarHBondContact CA-OD2 3.26Å; S21-D61 WeakPolarHBondContact CB-OD2 3.3Å; S21-D61 PolarHBondContact N-OD1 2.88Å; S21-D61 VanDerWaalsContact OG-CG 3.3Å; S21-D61 PolarHBondContact OG-OD1 2.53Å; S21-D61 PolarHBondContact OG-OD2 3.16Å
22	S	97.5	Very high	96.3	Very high	33 Å²	33	29.1 Å²	29.1	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-41.5	176.7	-52.6	0	0	0	0	111.8	G19 K20 R26	G19-S22 PolarHBondContact O-N 2.87Å; K20-S22 VanDerWaalsContact C-N 3.29Å; K20-S22 PolarHBondContact O-N 2.83Å; S22-R26 WeakPolarHBondContact O-CB 3.28Å; S22-R26 PolarHBondContact O-N 2.86Å
23	L	98.4	Very high	95.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-48.4	174.6	-75.2	170	0	0	0	111.3	G19 K20 R26 F27 V85 V119 N121 A151 V157 L160	G19-L23 PolarHBondContact O-N 3.39Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.17Å; L23-R26 PolarHBondContact O-N 2.76Å; L23-F27 VanDerWaalsContact O-CB 3.29Å; L23-F27 WeakPolarHBondContact O-CB 3.36Å; L23-F27 PolarHBondContact O-N 3.5Å; L23-V85 HydrophobicContact CD1-CG1 3.97Å; L23-V85 HydrophobicContact CD1-CG2 4.08Å; L23-V119 HydrophobicContact CD1-CG1 4.16Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; L23-A151 HydrophobicContact CD2-CB 3.98Å; L23-A151 HydrophobicContact CG-CB 4.18Å; L23-V157 HydrophobicContact CD2-CG2 4Å; L23-L160 HydrophobicContact CD1-CD2 4.33Å
24	V	97.6	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-46.4	-179.1	178.3	0	0	0	0	111.3	V12 K20 S21 F27 V28 Y44 I59 D61	V12-V24 HydrophobicContact CG2-CG2 3.9Å; K20-V24 WeakPolarHBondContact O-CG2 3.49Å; K20-V24 PolarHBondContact O-N 2.93Å; S21-V24 PolarHBondContact O-N 3.04Å; V24-F27 PolarHBondContact O-N 2.89Å; V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 3.04Å; V24-Y44 HydrophobicContact CG1-CD2 3.29Å; V24-Y44 HydrophobicContact CG1-CE2 3.68Å; V24-Y44 HydrophobicContact CG1-CG 3.79Å; V24-I59 HydrophobicContact CG1-CB 4.43Å; V24-I59 HydrophobicContact CG1-CG2 3.91Å; V24-I59 HydrophobicContact CG2-CG2 3.76Å; V24-D61 HydrophobicContact CG2-CB 4.31Å
25	L	96.1	Very high	94.7	Very high	34 Å²	34	47.9 Å²	47.9	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-37.9	177.7	-72.8	171.9	0	0	0	112.4	S21 F27 K29 G30 T31 Y44	S21-L25 VanDerWaalsContact O-CB 3.22Å; S21-L25 WeakPolarHBondContact O-CB 3.32Å; S21-L25 VanDerWaalsContact O-CG 3.25Å; S21-L25 WeakPolarHBondContact O-CG 3.31Å; S21-L25 PolarHBondContact O-N 3.23Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-K29 HydrophobicContact CD2-CD 3.93Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.39Å; L25-K29 PolarHBondContact O-N 2.88Å; L25-G30 PolarHBondContact O-N 3.21Å; L25-T31 CarbonylContact C-O 3.54Å; L25-Y44 HydrophobicContact CD2-CE1 3.68Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.47Å
26	R	97.4	Very high	94	Very high	46 Å²	46	53.8 Å²	53.8	17%	0.174	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-44	175.8	177.2	61.2	78.2	-178.2	18.2	110.4	S22 L23 G30 T31 A151 K152 N154 V157	S22-R26 WeakPolarHBondContact O-CB 3.28Å; S22-R26 PolarHBondContact O-N 2.86Å; L23-R26 PolarHBondContact O-N 2.76Å; R26-G30 PolarHBondContact NH1-O 3.04Å; R26-G30 WeakPolarHBondContact O-CA 3.43Å; R26-G30 PolarHBondContact O-N 2.83Å; R26-T31 WeakPolarHBondContact CA-O 3.12Å; R26-T31 PolarHBondContact N-O 3.34Å; R26-A151 PolarHBondContact NE-O 3.38Å; R26-A151 PolarHBondContact NH2-O 2.88Å; R26-K152 PolarHBondContact NH2-O 3.46Å; R26-N154 VanDerWaalsContact CD-OD1 3.28Å; R26-N154 WeakPolarHBondContact CD-OD1 3.22Å; R26-N154 HydrophobicContact CG-CB 4.37Å; R26-N154 WeakPolarHBondContact CG-OD1 3.41Å; R26-V157 HydrophobicContact CB-CG1 4.15Å; R26-V157 HydrophobicContact CG-CB 4.24Å; R26-V157 HydrophobicContact CG-CG1 3.87Å; R26-V157 HydrophobicContact CG-CG2 4.01Å
27	F	97.4	Very high	93.5	Very high	21 Å²	21	57.2 Å²	57.2	9%	0.092	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-52.2	177.4	175.7	-112.2	0	0	0	112.9	L23 V24 L25 L57 I59 V157 F161 L175	L23-F27 VanDerWaalsContact O-CB 3.29Å; L23-F27 WeakPolarHBondContact O-CB 3.36Å; L23-F27 PolarHBondContact O-N 3.5Å; V24-F27 PolarHBondContact O-N 2.89Å; L25-F27 VanDerWaalsContact C-N 3.32Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.35Å; F27-I59 HydrophobicContact CD1-CD1 3.54Å; F27-I59 HydrophobicContact CE1-CD1 3.47Å; F27-I59 VanDerWaalsContact CE1-CD1 3.47Å; F27-V157 HydrophobicContact CB-CG1 3.85Å; F27-F161 HydrophobicContact CB-CD2 3.79Å; F27-F161 HydrophobicContact CB-CE2 3.42Å; F27-F161 VanDerWaalsContact CB-CE2 3.42Å; F27-F161 HydrophobicContact CB-CZ 4.13Å; F27-F161 HydrophobicContact CD1-CD1 4.11Å; F27-F161 AromaticContact CD1-CD2 3.7Å; F27-F161 HydrophobicContact CD1-CD2 3.7Å; F27-F161 HydrophobicContact CD1-CE1 4.15Å; F27-F161 AromaticContact CD1-CE2 3.77Å; F27-F161 HydrophobicContact CD1-CE2 3.77Å; F27-F161 AromaticContact CD1-CG 3.9Å; F27-F161 HydrophobicContact CD1-CG 3.9Å; F27-F161 AromaticContact CD1-CZ 3.99Å; F27-F161 HydrophobicContact CD1-CZ 3.99Å; F27-F161 HydrophobicContact CD2-CB 4.17Å; F27-F161 AromaticContact CD2-CD2 3.34Å; F27-F161 HydrophobicContact CD2-CD2 3.34Å; F27-F161 AromaticContact CD2-CE2 3.94Å; F27-F161 HydrophobicContact CD2-CE2 3.94Å; F27-F161 AromaticContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CE1-CB 4.24Å; F27-F161 HydrophobicContact CE1-CD1 4.06Å; F27-F161 HydrophobicContact CE1-CD2 4.12Å; F27-F161 HydrophobicContact CE1-CE1 4.48Å; F27-F161 AromaticContact CE1-CG 3.87Å; F27-F161 HydrophobicContact CE1-CG 3.87Å; F27-F161 HydrophobicContact CE2-CB 3.69Å; F27-F161 AromaticContact CE2-CD2 3.77Å; F27-F161 HydrophobicContact CE2-CD2 3.77Å; F27-F161 AromaticContact CE2-CG 3.86Å; F27-F161 HydrophobicContact CE2-CG 3.86Å; F27-F161 AromaticContact CG-CD2 3.29Å; F27-F161 HydrophobicContact CG-CD2 3.29Å; F27-F161 AromaticContact CG-CE2 3.41Å; F27-F161 HydrophobicContact CG-CE2 3.41Å; F27-F161 VanDerWaalsContact CG-CE2 3.41Å; F27-F161 AromaticContact CG-CG 3.92Å; F27-F161 HydrophobicContact CG-CG 3.92Å; F27-F161 HydrophobicContact CG-CZ 4.09Å; F27-F161 HydrophobicContact CZ-CB 3.73Å; F27-F161 HydrophobicContact CZ-CD1 4.41Å; F27-F161 HydrophobicContact CZ-CD2 4.14Å; F27-F161 AromaticContact CZ-CG 3.84Å; F27-F161 HydrophobicContact CZ-CG 3.84Å; F27-L175 HydrophobicContact CE2-CD1 3.63Å; F27-L175 HydrophobicContact CE2-CD2 4.2Å; F27-L175 HydrophobicContact CZ-CD1 3.99Å; F27-L175 HydrophobicContact CZ-CD2 3.65Å; F27-L175 HydrophobicContact CZ-CG 4.46Å
28	V	95.1	Very high	93	Very high	39 Å²	39	60.3 Å²	60.3	24%	0.236	32%	0.317	C	S	.	.	H	α-helix	trans	-78.2	-39.5	-171.9	176.9	0	0	0	0	112.5	V24 Y44 I59	V24-V28 HydrophobicContact CG1-CG2 4.29Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 3.04Å; V28-Y44 HydrophobicContact CB-CD1 4.46Å; V28-Y44 HydrophobicContact CG1-CD1 4.16Å; V28-Y44 HydrophobicContact CG2-CD1 4.5Å; V28-Y44 HydrophobicContact CG2-CG 4.33Å; V28-I59 HydrophobicContact CG2-CD1 4.2Å
29	K	93.9	Very high	92.5	Very high	128 Å²	128	61.6 Å²	61.6	56%	0.557	33%	0.325	S	S	*	.	H	α-helix	trans	-113.7	-8.5	-171.2	-59.3	-172.9	-176.9	173.4	0	113.5	L25 T31	L25-K29 HydrophobicContact CD2-CD 3.93Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.39Å; L25-K29 PolarHBondContact O-N 2.88Å; K29-T31 HydrophobicContact CB-CG2 4.24Å; K29-T31 PolarHBondContact O-N 3.43Å
30	G	94.4	Very high	91.9	Very high	46 Å²	46	66.8 Å²	66.8	47%	0.474	35%	0.354	S	S	.	.	S	Bend	trans	68.5	11.7	-173.5	0	0	0	0	0	113.5	L25 R26	L25-G30 PolarHBondContact O-N 3.21Å; R26-G30 PolarHBondContact NH1-O 3.04Å; R26-G30 WeakPolarHBondContact O-CA 3.43Å; R26-G30 PolarHBondContact O-N 2.83Å
31	T	93.7	Very high	91.4	Very high	64 Å²	64	69.9 Å²	69.9	39%	0.393	37%	0.369	S	S	.	.			trans	-108.7	149.3	-174	59.3	0	0	0	0	112.3	L25 R26 K29	L25-T31 CarbonylContact C-O 3.54Å; R26-T31 WeakPolarHBondContact CA-O 3.12Å; R26-T31 PolarHBondContact N-O 3.34Å; K29-T31 HydrophobicContact CB-CG2 4.24Å; K29-T31 PolarHBondContact O-N 3.43Å
32	F	94.4	Very high	91.1	Very high	59 Å²	59	72.4 Å²	72.4	26%	0.259	38%	0.38	S	S	.	.			trans	-133.5	149.9	171.1	173.8	-95.6	0	0	0	110.2	D34 A151 K152	F32-D34 HydrophobicContact CE1-CB 4.48Å; F32-D34 VanDerWaalsContact CE1-OD1 3.27Å; F32-D34 WeakPolarHBondContact CE1-OD1 3.41Å; F32-A151 HydrophobicContact CD2-CB 4.19Å; F32-A151 WeakPolarHBondContact CD2-O 3.42Å; F32-A151 HydrophobicContact CE2-CB 4.29Å; F32-K152 HydrophobicContact CD1-CG 4.35Å; F32-K152 HydrophobicContact CD2-CB 4.5Å; F32-K152 HydrophobicContact CE1-CB 4.09Å; F32-K152 HydrophobicContact CE1-CG 3.73Å; F32-K152 HydrophobicContact CE2-CB 3.95Å; F32-K152 HydrophobicContact CE2-CG 4.48Å; F32-K152 HydrophobicContact CZ-CB 3.73Å; F32-K152 HydrophobicContact CZ-CG 3.81Å
33	R	89	Confident	91	Very high	173 Å²	173	73.1 Å²	73.1	65%	0.653	38%	0.383	S	S	*	.			trans	-133.4	130	176.3	-64.1	-179.3	179.8	177.1	-1.7	108	T35	R33-T35 VanDerWaalsContact C-N 3.31Å
34	D	85.4	Confident	90.9	Very high	126 Å²	126	74.5 Å²	74.5	67%	0.674	39%	0.388	S	S	*	.	S	Bend	trans	-71.6	-28.1	175.6	-71.5	-73.5	0	0	0	112.4	F32 Y36	F32-D34 HydrophobicContact CE1-CB 4.48Å; F32-D34 VanDerWaalsContact CE1-OD1 3.27Å; F32-D34 WeakPolarHBondContact CE1-OD1 3.41Å; D34-Y36 PolarHBondContact O-N 2.92Å
35	T	85.9	Confident	90.8	Very high	112 Å²	112	81.7 Å²	81.7	69%	0.687	42%	0.415	S	S	*	.	S	Bend	trans	-75.1	123.1	-179.2	-45.4	0	0	0	0	111.4	R33 I37	R33-T35 VanDerWaalsContact C-N 3.31Å; T35-I37 PolarHBondContact O-N 3.19Å
36	Y	81.8	Confident	90.6	Very high	132 Å²	132	83 Å²	83	52%	0.518	42%	0.421	S	S	.	.			trans	-76.9	119.1	173.4	-179.3	-115.9	0	0	0	111.1	G17 D34 P38	G17-Y36 PolarHBondContact N-OH 3.31Å; D34-Y36 PolarHBondContact O-N 2.92Å; Y36-P38 HydrophobicContact CD1-CG 4.44Å; Y36-P38 HydrophobicContact CE1-CB 4.46Å; Y36-P38 HydrophobicContact CE1-CG 3.87Å
37	I	83.1	Confident	90.5	Very high	110 Å²	110	84.5 Å²	84.5	56%	0.564	44%	0.435	S	S	*	.			trans	-114.3	119.7	168	-58.9	175.5	0	0	0	106.3	T35 T39	T35-I37 PolarHBondContact O-N 3.19Å; I37-T39 PolarHBondContact O-N 2.84Å
38	P	83.6	Confident	90.3	Very high	92 Å²	92	83.5 Å²	83.5	60%	0.597	43%	0.43	S	S	*	.			trans	-56	129.1	176.2	-25.3	33.8	0	0	0	111.7	Y36	Y36-P38 HydrophobicContact CD1-CG 4.44Å; Y36-P38 HydrophobicContact CE1-CB 4.46Å; Y36-P38 HydrophobicContact CE1-CG 3.87Å
39	T	85.6	Confident	90.2	Very high	29 Å²	29	82.3 Å²	82.3	18%	0.178	42%	0.424	C	S	.	.			trans	-83.9	142	-179.7	-56.2	0	0	0	0	110.3	S21 I37 T63	S21-T39 PolarHBondContact OG-OG1 3.42Å; I37-T39 PolarHBondContact O-N 2.84Å; T39-T63 WeakPolarHBondContact O-CA 3.41Å; T39-T63 WeakPolarHBondContact O-CG2 3.34Å
40	V	84.6	Confident	90.1	Very high	122 Å²	122	76.2 Å²	76.2	74%	0.739	40%	0.397	S	S	*	.			trans	-82.6	-86.9	167.2	-177.9	0	0	0	0	108.1	T63	V40-T63 WeakPolarHBondContact O-CA 2.91Å; V40-T63 VanDerWaalsContact O-CB 3.31Å; V40-T63 WeakPolarHBondContact O-CB 3.29Å; V40-T63 PolarHBondContact O-N 3.49Å; V40-T63 VanDerWaalsContact O-N 3.16Å; V40-T63 PolarHBondContact O-OG1 2.84Å
41	E	87.6	Confident	89.7	Confident	75 Å²	75	78.2 Å²	78.2	35%	0.35	40%	0.397	S	S	.	.			trans	-157.8	136.8	166.4	-175.7	176.9	109.9	0	0	105.7	T60 D61 Q67	E41-T60 HydrophobicContact CG-CG2 3.95Å; E41-D61 WeakPolarHBondContact CA-O 3.48Å; E41-Q67 PolarHBondContact OE2-NE2 2.87Å
42	D	91.7	Very high	89.2	Confident	77 Å²	77	85.4 Å²	85.4	41%	0.412	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147	177.5	-159.4	-3.2	0	0	0	110.4	Y44 T60 D61	D42-Y44 HydrophobicContact CB-CE2 3.86Å; D42-Y44 PolarHBondContact OD2-OH 3.34Å; D42-T60 CarbonylContact O-C 3.59Å; D42-T60 WeakPolarHBondContact O-CA 3.22Å; D42-D61 PolarHBondContact N-O 2.88Å; D42-D61 PolarHBondContact O-N 3.24Å
43	T	94.9	Very high	88.9	Confident	49 Å²	49	86.1 Å²	86.1	30%	0.301	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.9	178.8	-64	0	0	0	0	110.3	Q58 I59 T60	T43-Q58 HydrophobicContact CG2-CB 4.11Å; T43-I59 WeakPolarHBondContact CA-O 3.29Å; T43-T60 PolarHBondContact OG1-OG1 2.96Å
44	Y	95.6	Very high	89	Confident	30 Å²	30	81.3 Å²	81.3	12%	0.118	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	150.7	177.6	-60.4	-95.2	0	0	0	110.2	V24 L25 V28 D42 Q58 I59 D61	V24-Y44 HydrophobicContact CG1-CD2 3.29Å; V24-Y44 HydrophobicContact CG1-CE2 3.68Å; V24-Y44 HydrophobicContact CG1-CG 3.79Å; L25-Y44 HydrophobicContact CD2-CE1 3.68Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.47Å; V28-Y44 HydrophobicContact CB-CD1 4.46Å; V28-Y44 HydrophobicContact CG1-CD1 4.16Å; V28-Y44 HydrophobicContact CG2-CD1 4.5Å; V28-Y44 HydrophobicContact CG2-CG 4.33Å; D42-Y44 HydrophobicContact CB-CE2 3.86Å; D42-Y44 PolarHBondContact OD2-OH 3.34Å; Y44-Q58 CarbonylContact O-C 3.38Å; Y44-Q58 WeakPolarHBondContact O-CA 3.31Å; Y44-I59 PolarHBondContact N-O 3.28Å; Y44-I59 PolarHBondContact O-N 3.1Å; Y44-D61 HydrophobicContact CE2-CB 4.18Å
45	R	95.1	Very high	89.3	Confident	151 Å²	151	75.6 Å²	75.6	57%	0.57	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.3	-177.9	-66	175.4	-178.1	-91	-8.9	110.1	D7 T56 L57 Q58	D7-R45 IonicContact OD2-NH1 3.89Å; R45-T56 HydrophobicContact CB-CG2 3.92Å; R45-T56 HydrophobicContact CG-CG2 4.07Å; R45-L57 CarbonylContact C-O 3.6Å; R45-L57 VanDerWaalsContact CA-O 3.31Å; R45-L57 WeakPolarHBondContact CA-O 3.4Å; R45-Q58 HydrophobicContact CG-CG 4.42Å; R45-Q58 VanDerWaalsContact CZ-NE2 3.34Å; R45-Q58 VanDerWaalsContact NH2-NE2 3.17Å
46	Q	93	Very high	89.8	Confident	62 Å²	62	72.1 Å²	72.1	29%	0.29	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.3	171.5	-166	170.3	26.8	0	0	109.7	T56 L57	Q46-T56 CarbonylContact O-C 3.56Å; Q46-L57 PolarHBondContact N-O 3.23Å; Q46-L57 WeakPolarHBondContact O-CB 3.42Å; Q46-L57 PolarHBondContact O-N 3.05Å
47	V	94.1	Very high	90.5	Very high	77 Å²	77	65.8 Å²	65.8	47%	0.467	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129	173.2	-177	0	0	0	0	108.1	V54 I177	V47-V54 HydrophobicContact CG1-CB 3.86Å; V47-V54 HydrophobicContact CG1-CG1 4.16Å; V47-V54 HydrophobicContact CG1-CG2 4.38Å; V47-I177 HydrophobicContact CB-CD1 4.01Å; V47-I177 HydrophobicContact CG1-CD1 3.66Å
48	I	94.5	Very high	91.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.7	179.6	63.2	164.1	0	0	0	110.4	V54 C55 L57 L165 M173 S174 L175	I48-V54 CarbonylContact O-C 3.55Å; I48-V54 VanDerWaalsContact O-CA 3.23Å; I48-V54 WeakPolarHBondContact O-CA 3.48Å; I48-C55 WeakPolarHBondContact CG1-SG 3.25Å; I48-C55 PolarHBondContact N-O 3.32Å; I48-C55 PolarHBondContact O-N 2.72Å; I48-L57 HydrophobicContact CD1-CB 3.97Å; I48-L57 HydrophobicContact CG1-CB 4.1Å; I48-L57 HydrophobicContact CG2-CB 3.89Å; I48-L57 HydrophobicContact CG2-CD2 4.16Å; I48-L165 HydrophobicContact CD1-CD1 3.94Å; I48-L165 HydrophobicContact CD1-CD2 4.05Å; I48-M173 HydrophobicContact CD1-CB 4.28Å; I48-M173 HydrophobicContact CD1-CG 4.39Å; I48-M173 HydrophobicContact CD1-SD 4.36Å; I48-S174 WeakPolarHBondContact CB-O 3.48Å; I48-L175 HydrophobicContact CG2-CD2 3.93Å
49	S	93.1	Very high	91.9	Very high	15 Å²	15	57.1 Å²	57.1	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.4	170.2	-177.5	0	0	0	0	110.4	S53 M173 S174 N176	S49-S53 WeakPolarHBondContact CA-O 3.41Å; S49-M173 VanDerWaalsContact O-CA 3.26Å; S49-M173 WeakPolarHBondContact O-CA 3.37Å; S49-S174 PolarHBondContact N-O 2.87Å; S49-S174 PolarHBondContact O-N 2.89Å; S49-N176 WeakPolarHBondContact CB-O 3.49Å
50	C	91.6	Very high	92.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	115.8	178.3	-171.6	0	0	0	0	110.4	K52 S53 C55 N172 M173	C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.31Å; C50-S53 PolarHBondContact N-O 2.81Å; C50-S53 CarbonylContact O-C 3.57Å; C50-S53 WeakPolarHBondContact O-CA 3.46Å; C50-S53 PolarHBondContact O-N 3.4Å; C50-C55 HydrophobicContact CB-CB 3.75Å; C50-C55 VanDerWaalsContact CB-SG 3.57Å; C50-N172 CarbonylContact C-O 3.53Å; C50-N172 VanDerWaalsContact CA-O 3.3Å; C50-N172 WeakPolarHBondContact CA-O 3.41Å; C50-M173 HydrophobicContact CB-CG 4.16Å
51	D	85.3	Confident	92.9	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.2	173.8	-58	-47.2	0	0	0	114.3	S53 N172	D51-S53 PolarHBondContact O-N 2.83Å; D51-N172 PolarHBondContact N-O 3.38Å; D51-N172 WeakPolarHBondContact OD1-CB 3.35Å; D51-N172 PolarHBondContact OD1-N 2.81Å
52	K	83.4	Confident	93.2	Very high	215 Å²	215	47.2 Å²	47.2	94%	0.935	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	8.5	-176	-47.4	174.5	-178.7	176.3	0	115.5	C50	C50-K52 VanDerWaalsContact C-N 3.29Å; C50-K52 PolarHBondContact O-N 3.31Å
53	S	88.2	Confident	93	Very high	74 Å²	74	45.3 Å²	45.3	52%	0.517	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-163.1	170.2	-167.7	0	0	0	0	109.8	S49 C50 D51	S49-S53 WeakPolarHBondContact CA-O 3.41Å; C50-S53 PolarHBondContact N-O 2.81Å; C50-S53 CarbonylContact O-C 3.57Å; C50-S53 WeakPolarHBondContact O-CA 3.46Å; C50-S53 PolarHBondContact O-N 3.4Å; D51-S53 PolarHBondContact O-N 2.83Å
54	V	90.4	Very high	92.2	Very high	73 Å²	73	43.4 Å²	43.4	44%	0.442	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150.8	171.8	-63.2	0	0	0	0	110.9	V47 I48 I177	V47-V54 HydrophobicContact CG1-CB 3.86Å; V47-V54 HydrophobicContact CG1-CG1 4.16Å; V47-V54 HydrophobicContact CG1-CG2 4.38Å; I48-V54 CarbonylContact O-C 3.55Å; I48-V54 VanDerWaalsContact O-CA 3.23Å; I48-V54 WeakPolarHBondContact O-CA 3.48Å; V54-I177 HydrophobicContact CG1-CG2 4.03Å
55	C	93	Very high	91.1	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	165.4	168.4	82.9	0	0	0	0	111.4	N6 I48 C50	N6-C55 HydrophobicContact CB-CB 4.07Å; N6-C55 VanDerWaalsContact O-CB 3.22Å; N6-C55 WeakPolarHBondContact O-CB 3.12Å; I48-C55 WeakPolarHBondContact CG1-SG 3.25Å; I48-C55 PolarHBondContact N-O 3.32Å; I48-C55 PolarHBondContact O-N 2.72Å; C50-C55 HydrophobicContact CB-CB 3.75Å; C50-C55 VanDerWaalsContact CB-SG 3.57Å
56	T	95	Very high	90.2	Very high	39 Å²	39	45.8 Å²	45.8	24%	0.239	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115	175.5	-52.1	0	0	0	0	109.5	D7 Y8 R45 Q46 Q58	D7-T56 CarbonylContact C-O 3.57Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.31Å; D7-T56 WeakPolarHBondContact OD1-CB 3.41Å; Y8-T56 PolarHBondContact N-O 2.53Å; R45-T56 HydrophobicContact CB-CG2 3.92Å; R45-T56 HydrophobicContact CG-CG2 4.07Å; Q46-T56 CarbonylContact O-C 3.56Å; T56-Q58 HydrophobicContact CG2-CG 4.28Å; T56-Q58 PolarHBondContact O-N 2.86Å
57	L	96.8	Very high	89.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	112.5	163	-179.3	59	0	0	0	108.9	Y8 V10 F27 R45 Q46 I48 I59 L165 L175	Y8-L57 HydrophobicContact CD1-CD1 3.94Å; Y8-L57 CarbonylContact O-C 3.6Å; Y8-L57 WeakPolarHBondContact O-CA 3.12Å; V10-L57 HydrophobicContact CG2-CD1 3.65Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.35Å; R45-L57 CarbonylContact C-O 3.6Å; R45-L57 VanDerWaalsContact CA-O 3.31Å; R45-L57 WeakPolarHBondContact CA-O 3.4Å; Q46-L57 PolarHBondContact N-O 3.23Å; Q46-L57 WeakPolarHBondContact O-CB 3.42Å; Q46-L57 PolarHBondContact O-N 3.05Å; I48-L57 HydrophobicContact CD1-CB 3.97Å; I48-L57 HydrophobicContact CG1-CB 4.1Å; I48-L57 HydrophobicContact CG2-CB 3.89Å; I48-L57 HydrophobicContact CG2-CD2 4.16Å; L57-I59 HydrophobicContact CD1-CG1 4.4Å; L57-I59 HydrophobicContact CD2-CD1 4.01Å; L57-I59 HydrophobicContact CD2-CG1 4.26Å; L57-I59 HydrophobicContact CG-CD1 4.2Å; L57-I59 HydrophobicContact CG-CG1 3.94Å; L57-L165 HydrophobicContact CD1-CD2 4.24Å; L57-L175 HydrophobicContact CD2-CD2 4.29Å
58	Q	97.7	Very high	89.1	Confident	19 Å²	19	47.8 Å²	47.8	9%	0.089	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.4	169.8	-63	-171.9	-2.6	0	0	109.2	D7 Y8 R9 V10 T43 Y44 R45 T56	D7-Q58 HydrophobicContact CB-CG 4.39Å; D7-Q58 PolarHBondContact OD2-NE2 3.04Å; Y8-Q58 PolarHBondContact O-N 2.95Å; R9-Q58 CarbonylContact C-O 3.56Å; R9-Q58 WeakPolarHBondContact CA-O 3.37Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; V10-Q58 PolarHBondContact N-O 2.8Å; T43-Q58 HydrophobicContact CG2-CB 4.11Å; Y44-Q58 CarbonylContact O-C 3.38Å; Y44-Q58 WeakPolarHBondContact O-CA 3.31Å; R45-Q58 HydrophobicContact CG-CG 4.42Å; R45-Q58 VanDerWaalsContact CZ-NE2 3.34Å; R45-Q58 VanDerWaalsContact NH2-NE2 3.17Å; T56-Q58 HydrophobicContact CG2-CG 4.28Å; T56-Q58 PolarHBondContact O-N 2.86Å
59	I	98.1	Very high	88.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.6	177.8	-55.4	165.7	0	0	0	108.1	V10 V12 V24 F27 V28 T43 Y44 L57 F161	V10-I59 HydrophobicContact CB-CG1 4.39Å; V10-I59 WeakPolarHBondContact O-CA 3.29Å; V12-I59 HydrophobicContact CG2-CG2 3.87Å; V24-I59 HydrophobicContact CG1-CB 4.43Å; V24-I59 HydrophobicContact CG1-CG2 3.91Å; V24-I59 HydrophobicContact CG2-CG2 3.76Å; F27-I59 HydrophobicContact CD1-CD1 3.54Å; F27-I59 HydrophobicContact CE1-CD1 3.47Å; F27-I59 VanDerWaalsContact CE1-CD1 3.47Å; V28-I59 HydrophobicContact CG2-CD1 4.2Å; T43-I59 WeakPolarHBondContact CA-O 3.29Å; Y44-I59 PolarHBondContact N-O 3.28Å; Y44-I59 PolarHBondContact O-N 3.1Å; L57-I59 HydrophobicContact CD1-CG1 4.4Å; L57-I59 HydrophobicContact CD2-CD1 4.01Å; L57-I59 HydrophobicContact CD2-CG1 4.26Å; L57-I59 HydrophobicContact CG-CD1 4.2Å; L57-I59 HydrophobicContact CG-CG1 3.94Å; I59-F161 HydrophobicContact CD1-CD1 3.94Å; I59-F161 HydrophobicContact CD1-CE1 3.6Å; I59-F161 HydrophobicContact CD1-CZ 4.29Å; I59-F161 HydrophobicContact CG1-CE1 4.17Å; I59-F161 HydrophobicContact CG2-CE1 4.09Å
60	T	97.1	Very high	88.6	Confident	17 Å²	17	54.1 Å²	54.1	10%	0.104	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.3	177.1	-58.8	0	0	0	0	109.8	V10 V12 E41 D42 T43 T62	V10-T60 PolarHBondContact O-N 2.77Å; V12-T60 PolarHBondContact N-O 2.7Å; E41-T60 HydrophobicContact CG-CG2 3.95Å; D42-T60 CarbonylContact O-C 3.59Å; D42-T60 WeakPolarHBondContact O-CA 3.22Å; T43-T60 PolarHBondContact OG1-OG1 2.96Å; T60-T62 HydrophobicContact CG2-CG2 4.32Å
61	D	95	Very high	88.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.2	171	-177.3	27.6	0	0	0	109.8	K20 S21 V24 E41 D42 Y44	K20-D61 WeakPolarHBondContact CB-OD1 3.49Å; S21-D61 WeakPolarHBondContact CA-OD2 3.26Å; S21-D61 WeakPolarHBondContact CB-OD2 3.3Å; S21-D61 PolarHBondContact N-OD1 2.88Å; S21-D61 VanDerWaalsContact OG-CG 3.3Å; S21-D61 PolarHBondContact OG-OD1 2.53Å; S21-D61 PolarHBondContact OG-OD2 3.16Å; V24-D61 HydrophobicContact CG2-CB 4.31Å; E41-D61 WeakPolarHBondContact CA-O 3.48Å; D42-D61 PolarHBondContact N-O 2.88Å; D42-D61 PolarHBondContact O-N 3.24Å; Y44-D61 HydrophobicContact CE2-CB 4.18Å
62	T	93.8	Very high	88.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.305	C	S	.	.			trans	-103.8	160.6	-170.3	65.7	0	0	0	0	112.8	V11 V12 F13 K20 T60 G64	V11-T62 HydrophobicContact CG1-CG2 3.95Å; V12-T62 WeakPolarHBondContact O-CB 3.13Å; V12-T62 VanDerWaalsContact O-CG2 3.29Å; V12-T62 WeakPolarHBondContact O-CG2 3.27Å; V12-T62 PolarHBondContact O-OG1 2.79Å; F13-T62 HydrophobicContact CD1-CG2 4.12Å; F13-T62 HydrophobicContact CE1-CG2 3.98Å; K20-T62 WeakPolarHBondContact CE-O 3.46Å; T60-T62 HydrophobicContact CG2-CG2 4.32Å; T62-G64 PolarHBondContact O-N 2.65Å
63	T	86.9	Confident	89.4	Confident	37 Å²	37	52.1 Å²	52.1	23%	0.227	29%	0.285	C	S	.	.			trans	-59.8	-11.2	177.4	-29.3	0	0	0	0	114.1	T39 V40 H66	T39-T63 WeakPolarHBondContact O-CA 3.41Å; T39-T63 WeakPolarHBondContact O-CG2 3.34Å; V40-T63 WeakPolarHBondContact O-CA 2.91Å; V40-T63 VanDerWaalsContact O-CB 3.31Å; V40-T63 WeakPolarHBondContact O-CB 3.29Å; V40-T63 PolarHBondContact O-N 3.49Å; V40-T63 VanDerWaalsContact O-N 3.16Å; V40-T63 PolarHBondContact O-OG1 2.84Å; T63-H66 HydrophobicContact CG2-CB 4.04Å
64	G	77.9	Confident	89.7	Confident	8 Å²	8	52 Å²	52	8%	0.082	28%	0.279	C	S	.	.	S	Bend	trans	77.6	-137.7	-166.7	0	0	0	0	0	112.6	G14 K20 T62 H66 Q67	G14-G64 WeakPolarHBondContact O-CA 3.28Å; K20-G64 VanDerWaalsContact NZ-CA 3.3Å; T62-G64 PolarHBondContact O-N 2.65Å; G64-H66 PolarHBondContact O-N 3.14Å; G64-Q67 PolarHBondContact O-N 3Å
65	S	73.3	Confident	89.9	Confident	73 Å²	73	49.2 Å²	49.2	51%	0.51	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.8	-170.4	-43.7	0	0	0	0	114.9	E96	S65-E96 PolarHBondContact OG-OE2 3.18Å
66	H	75.4	Confident	90	Very high	159 Å²	159	49 Å²	49	74%	0.736	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	7.2	-177.8	-58.9	-65.2	0	0	0	114.7	T63 G64	T63-H66 HydrophobicContact CG2-CB 4.04Å; G64-H66 PolarHBondContact O-N 3.14Å
67	Q	78.3	Confident	90.1	Very high	18 Å²	18	50.5 Å²	50.5	8%	0.084	27%	0.273	C	S	.	.	S	Bend	trans	-70.7	136.2	-179.8	-162	178.3	30.7	0	0	111.3	E41 G64 M71	E41-Q67 PolarHBondContact OE2-NE2 2.87Å; G64-Q67 PolarHBondContact O-N 3Å; Q67-M71 HydrophobicContact CG-CB 4.23Å
68	F	85.8	Confident	90	Very high	163 Å²	163	55.6 Å²	55.6	72%	0.715	30%	0.295	S	S	*	.			trans	-58.7	131.6	174.7	-72.8	-80.2	0	0	0	111	A70 M71 Q72	F68-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact O-N 3.08Å; F68-M71 HydrophobicContact CB-CB 4.4Å; F68-M71 HydrophobicContact CB-CG 4.19Å; F68-M71 WeakPolarHBondContact O-CB 3.37Å; F68-M71 PolarHBondContact O-N 3.45Å; F68-Q72 PolarHBondContact O-N 2.96Å
69	P	88.6	Confident	89.9	Confident	73 Å²	73	54.7 Å²	54.7	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-55.9	-33.1	-175.2	-29.6	35.1	0	0	0	114.8	R73	P69-R73 WeakPolarHBondContact O-CG 3.1Å; P69-R73 PolarHBondContact O-N 3.14Å
70	A	90	Very high	89.8	Confident	74 Å²	74	57.8 Å²	57.8	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-66.6	-41.2	176.1	0	0	0	0	0	112.2	F68 R73 L74	F68-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact O-N 3.08Å; A70-R73 PolarHBondContact O-N 2.87Å; A70-L74 PolarHBondContact O-N 2.91Å
71	M	90.1	Very high	89.8	Confident	83 Å²	83	57 Å²	57	41%	0.409	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.7	-66.3	-59.2	-68.8	0	0	111	Q67 F68 R73 L74 S75	Q67-M71 HydrophobicContact CG-CB 4.23Å; F68-M71 HydrophobicContact CB-CB 4.4Å; F68-M71 HydrophobicContact CB-CG 4.19Å; F68-M71 WeakPolarHBondContact O-CB 3.37Å; F68-M71 PolarHBondContact O-N 3.45Å; M71-R73 PolarHBondContact O-N 3.25Å; M71-L74 WeakPolarHBondContact O-CB 3.29Å; M71-L74 PolarHBondContact O-N 3.38Å; M71-L74 VanDerWaalsContact O-N 3.14Å; M71-S75 PolarHBondContact O-N 2.79Å; M71-S75 PolarHBondContact O-OG 3.04Å
72	Q	92.9	Very high	90	Very high	41 Å²	41	56.9 Å²	56.9	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-57.1	-48.5	174.2	-178.2	179.6	57.6	0	0	111.6	F13 F68 L74 S75 I76 I100	F13-Q72 HydrophobicContact CE1-CG 4.1Å; F13-Q72 HydrophobicContact CZ-CG 4.33Å; F68-Q72 PolarHBondContact O-N 2.96Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.2Å; Q72-S75 PolarHBondContact O-N 3.02Å; Q72-I76 HydrophobicContact CG-CD1 4.14Å; Q72-I76 VanDerWaalsContact O-CG1 3.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.06Å; Q72-I76 PolarHBondContact O-N 3.04Å; Q72-I100 HydrophobicContact CG-CD1 3.73Å
73	R	93.7	Very high	90.2	Very high	136 Å²	136	56.9 Å²	56.9	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-40.1	175.3	-72.7	-175.2	-124.8	-96.6	-1.4	112.5	P69 A70 M71 I76 S77 Q103 I107	P69-R73 WeakPolarHBondContact O-CG 3.1Å; P69-R73 PolarHBondContact O-N 3.14Å; A70-R73 PolarHBondContact O-N 2.87Å; M71-R73 PolarHBondContact O-N 3.25Å; R73-I76 PolarHBondContact O-N 2.75Å; R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.21Å; R73-S77 PolarHBondContact O-N 2.88Å; R73-Q103 VanDerWaalsContact CG-NE2 3.35Å; R73-I107 HydrophobicContact CB-CD1 4.13Å; R73-I107 HydrophobicContact CG-CD1 3.95Å
74	L	93.6	Very high	90.8	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-44.1	177.4	-175.4	63.7	0	0	0	111.5	A70 M71 Q72 S77 K78	A70-L74 PolarHBondContact O-N 2.91Å; M71-L74 WeakPolarHBondContact O-CB 3.29Å; M71-L74 PolarHBondContact O-N 3.38Å; M71-L74 VanDerWaalsContact O-N 3.14Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.2Å; L74-S77 PolarHBondContact O-N 2.83Å; L74-K78 HydrophobicContact CD1-CD 4.1Å; L74-K78 HydrophobicContact CD1-CG 4.38Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CB 3.23Å; L74-K78 WeakPolarHBondContact O-CG 3.25Å; L74-K78 PolarHBondContact O-N 2.93Å
75	S	95.1	Very high	91.8	Very high	14 Å²	14	54.8 Å²	54.8	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-41.9	176.7	-62.7	0	0	0	0	111.4	M71 Q72 K78 G79	M71-S75 PolarHBondContact O-N 2.79Å; M71-S75 PolarHBondContact O-OG 3.04Å; Q72-S75 PolarHBondContact O-N 3.02Å; S75-K78 PolarHBondContact O-N 3.45Å; S75-G79 WeakPolarHBondContact O-CA 3.09Å; S75-G79 PolarHBondContact O-N 3.08Å
76	I	95.8	Very high	93	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-53.3	172	-62.9	163	0	0	0	110.1	F13 Q72 R73 K78 G79 F82 I100 Q103 I104 I107 K108	F13-I76 HydrophobicContact CE2-CG1 4.04Å; F13-I76 HydrophobicContact CZ-CG1 4Å; Q72-I76 HydrophobicContact CG-CD1 4.14Å; Q72-I76 VanDerWaalsContact O-CG1 3.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.06Å; Q72-I76 PolarHBondContact O-N 3.04Å; R73-I76 PolarHBondContact O-N 2.75Å; I76-K78 PolarHBondContact O-N 3.38Å; I76-G79 PolarHBondContact O-N 2.88Å; I76-F82 HydrophobicContact CB-CE1 4.48Å; I76-F82 HydrophobicContact CG1-CE1 4.49Å; I76-F82 HydrophobicContact CG2-CE1 4.46Å; I76-F82 HydrophobicContact CG2-CZ 4.13Å; I76-F82 WeakPolarHBondContact O-CZ 3.49Å; I76-I100 HydrophobicContact CD1-CD1 3.61Å; I76-I100 HydrophobicContact CG1-CD1 4.23Å; I76-Q103 HydrophobicContact CD1-CB 4.1Å; I76-Q103 HydrophobicContact CD1-CG 3.73Å; I76-I104 HydrophobicContact CD1-CG1 4.21Å; I76-I104 HydrophobicContact CG1-CG1 4.01Å; I76-I104 HydrophobicContact CG2-CB 4.43Å; I76-I104 HydrophobicContact CG2-CG1 4.11Å; I76-I107 HydrophobicContact CB-CD1 3.98Å; I76-I107 HydrophobicContact CD1-CD1 3.91Å; I76-I107 HydrophobicContact CG2-CB 3.75Å; I76-I107 HydrophobicContact CG2-CD1 3.84Å; I76-I107 HydrophobicContact CG2-CG1 4.37Å; I76-I107 HydrophobicContact CG2-CG2 3.78Å; I76-K108 HydrophobicContact CG2-CG 4.34Å; I76-K108 WeakPolarHBondContact O-CE 3.43Å; I76-K108 PolarHBondContact O-NZ 3.28Å
77	S	95.2	Very high	94.1	Very high	70 Å²	70	43.9 Å²	43.9	49%	0.49	23%	0.228	S	C	.	.	H	α-helix	trans	-54.1	-42.5	-178.4	179.8	0	0	0	0	112	R73 L74 K108	R73-S77 VanDerWaalsContact O-CB 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.21Å; R73-S77 PolarHBondContact O-N 2.88Å; L74-S77 PolarHBondContact O-N 2.83Å; S77-K108 PolarHBondContact O-NZ 3.27Å
78	K	94.9	Very high	95.1	Very high	107 Å²	107	43.1 Å²	43.1	47%	0.465	22%	0.224	S	C	.	.	H	α-helix	trans	-83.3	-21.9	-179.6	-71.5	-179.5	176.3	173.6	0	115.3	R9 L74 S75 I76	R9-K78 WeakPolarHBondContact CD-O 3.4Å; L74-K78 HydrophobicContact CD1-CD 4.1Å; L74-K78 HydrophobicContact CD1-CG 4.38Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CB 3.23Å; L74-K78 WeakPolarHBondContact O-CG 3.25Å; L74-K78 PolarHBondContact O-N 2.93Å; S75-K78 PolarHBondContact O-N 3.45Å; I76-K78 PolarHBondContact O-N 3.38Å
79	G	96.4	Very high	95.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.201	C	C	.	.			trans	-71.2	140.8	-176.7	0	0	0	0	0	112.4	S75 I76 K108	S75-G79 WeakPolarHBondContact O-CA 3.09Å; S75-G79 PolarHBondContact O-N 3.08Å; I76-G79 PolarHBondContact O-N 2.88Å; G79-K108 WeakPolarHBondContact O-CE 3.36Å; G79-K108 PolarHBondContact O-NZ 3.34Å
80	H	96.1	Very high	96.1	Very high	64 Å²	64	35.3 Å²	35.3	30%	0.296	19%	0.19	S	C	.	.	S	Bend	trans	-92.3	-33.8	173.6	-59.7	128.7	0	0	0	111.5	D7 Y8 R9	D7-H80 PolarHBondContact O-CE1 2.92Å; D7-H80 PolarHBondContact O-ND1 2.89Å; Y8-H80 HydrophobicContact CD2-CB 4.04Å; Y8-H80 HydrophobicContact CE1-CB 4.41Å; Y8-H80 HydrophobicContact CE2-CB 3.65Å; R9-H80 PolarHBondContact N-ND1 3.38Å; R9-H80 WeakPolarHBondContact O-CA 3.4Å; R9-H80 PolarHBondContact O-N 3.29Å
81	A	97.6	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.2	-179.9	0	0	0	0	0	111.3	Y8 R9 V10 V11 P115 L164	Y8-A81 HydrophobicContact CE1-CB 3.85Å; R9-A81 PolarHBondContact O-N 3.23Å; R9-A81 VanDerWaalsContact O-N 3.1Å; V10-A81 WeakPolarHBondContact CA-O 3.37Å; V10-A81 HydrophobicContact CG2-CB 4.22Å; V11-A81 PolarHBondContact N-O 2.89Å; A81-P115 WeakPolarHBondContact CA-O 3.5Å; A81-P115 HydrophobicContact CB-CB 3.77Å; A81-P115 HydrophobicContact CB-CG 4.38Å; A81-L164 HydrophobicContact CB-CD1 4.22Å; A81-L164 HydrophobicContact CB-CD2 3.98Å; A81-L164 HydrophobicContact CB-CG 4.05Å
82	F	98.3	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.4	-174.3	-56.2	-78.2	0	0	0	112.3	V11 F13 I76 I104 K108 I114 P115 I116 M117	V11-F82 HydrophobicContact CB-CD1 4Å; V11-F82 HydrophobicContact CB-CE1 4.16Å; V11-F82 HydrophobicContact CG2-CE1 4.26Å; V11-F82 WeakPolarHBondContact O-CA 3.15Å; F13-F82 HydrophobicContact CD2-CD1 4.3Å; F13-F82 AromaticContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CD1 3.91Å; F13-F82 HydrophobicContact CE2-CE1 4.25Å; I76-F82 HydrophobicContact CB-CE1 4.48Å; I76-F82 HydrophobicContact CG1-CE1 4.49Å; I76-F82 HydrophobicContact CG2-CE1 4.46Å; I76-F82 HydrophobicContact CG2-CZ 4.13Å; I76-F82 WeakPolarHBondContact O-CZ 3.49Å; F82-I104 HydrophobicContact CB-CD1 3.97Å; F82-I104 HydrophobicContact CD1-CD1 3.94Å; F82-I104 HydrophobicContact CD1-CG1 4.26Å; F82-I104 HydrophobicContact CD2-CD1 4.24Å; F82-I104 HydrophobicContact CD2-CG1 4.42Å; F82-I104 HydrophobicContact CD2-CG2 3.7Å; F82-I104 HydrophobicContact CE1-CG1 4.42Å; F82-I104 HydrophobicContact CE2-CG2 3.73Å; F82-I104 HydrophobicContact CG-CD1 3.75Å; F82-I104 HydrophobicContact CG-CG1 4.27Å; F82-I104 HydrophobicContact CG-CG2 4.33Å; F82-I104 HydrophobicContact CZ-CG2 4.39Å; F82-K108 HydrophobicContact CE2-CG 4.26Å; F82-I114 HydrophobicContact CD2-CG2 3.68Å; F82-I114 HydrophobicContact CE2-CG2 3.7Å; F82-P115 PolarHBondContact N-O 2.84Å; F82-I116 HydrophobicContact CB-CG1 4.36Å; F82-I116 HydrophobicContact CD2-CG1 4.29Å; F82-I116 WeakPolarHBondContact O-CA 3.49Å; F82-M117 PolarHBondContact O-N 2.84Å
83	I	98.8	Very high	97.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.2	169.6	-58.5	178.8	0	0	0	107.6	V10 V11 V12 F13 V85 M117 V119 L160 F161 L164	V10-I83 HydrophobicContact CG1-CD1 3.79Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V11-I83 PolarHBondContact O-N 3.39Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.34Å; V12-I83 HydrophobicContact CG2-CB 4.35Å; V12-I83 HydrophobicContact CG2-CD1 4.32Å; F13-I83 PolarHBondContact N-O 3.44Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; I83-M117 WeakPolarHBondContact CA-O 3.34Å; I83-V119 HydrophobicContact CG2-CB 4.33Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; I83-L160 HydrophobicContact CD1-CD1 4.31Å; I83-L160 HydrophobicContact CD1-CD2 4.31Å; I83-L160 HydrophobicContact CD1-CG 4.27Å; I83-L160 HydrophobicContact CG2-CD1 4.43Å; I83-L160 HydrophobicContact CG2-CD2 4.47Å; I83-F161 HydrophobicContact CD1-CD1 4.11Å; I83-F161 HydrophobicContact CD1-CE1 3.67Å; I83-F161 HydrophobicContact CD1-CZ 4.1Å; I83-L164 HydrophobicContact CD1-CD2 3.85Å; I83-L164 HydrophobicContact CG1-CD2 3.55Å
84	L	98.6	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.5	178.3	-57.8	-172.6	0	0	0	108.8	F13 L97 I100 Y101 I104 I116 M117 L118 V119 W142	F13-L84 HydrophobicContact CB-CD2 3.89Å; F13-L84 HydrophobicContact CD2-CD2 4.27Å; L84-L97 HydrophobicContact CB-CD1 4.02Å; L84-L97 HydrophobicContact CB-CD2 4Å; L84-I100 HydrophobicContact CD2-CG2 4.29Å; L84-Y101 HydrophobicContact CD1-CD2 4.02Å; L84-Y101 HydrophobicContact CD1-CG 4.45Å; L84-I104 HydrophobicContact CD2-CD1 3.96Å; L84-I116 HydrophobicContact CD1-CG2 4.02Å; L84-I116 HydrophobicContact CG-CG2 4.18Å; L84-M117 PolarHBondContact N-O 3.31Å; L84-L118 HydrophobicContact CB-CD1 4.26Å; L84-V119 PolarHBondContact O-N 2.99Å; L84-W142 HydrophobicContact CD1-CE3 4.3Å; L84-W142 HydrophobicContact CD1-CZ3 3.9Å
85	V	98.8	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.9	-172.6	-169.9	0	0	0	0	110.8	V12 F13 G14 V18 K20 L23 I83 V119 N121	V12-V85 HydrophobicContact CG1-CG2 3.68Å; F13-V85 PolarHBondContact O-N 3.32Å; G14-V85 WeakPolarHBondContact CA-O 3.46Å; V18-V85 HydrophobicContact CB-CG1 4.27Å; V18-V85 HydrophobicContact CG2-CB 3.97Å; V18-V85 HydrophobicContact CG2-CG1 3.79Å; K20-V85 HydrophobicContact CG-CB 4.2Å; K20-V85 HydrophobicContact CG-CG2 4.29Å; L23-V85 HydrophobicContact CD1-CG1 3.97Å; L23-V85 HydrophobicContact CD1-CG2 4.08Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; V85-V119 WeakPolarHBondContact CA-O 3.39Å; V85-V119 HydrophobicContact CG2-CB 4.36Å; V85-N121 HydrophobicContact CG1-CB 3.79Å
86	Y	98.8	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	165	164.4	74.9	-83	0	0	0	109.6	I88 S93 L94 L97 L118 V119 G120 N121 V130 F146	Y86-I88 HydrophobicContact CE2-CG2 4.14Å; Y86-S93 WeakPolarHBondContact CB-OG 3.45Å; Y86-L94 HydrophobicContact CD1-CD1 3.73Å; Y86-L94 HydrophobicContact CD2-CB 3.9Å; Y86-L94 HydrophobicContact CD2-CD1 4.47Å; Y86-L94 HydrophobicContact CE1-CD1 3.95Å; Y86-L94 HydrophobicContact CE2-CB 4.47Å; Y86-L94 HydrophobicContact CG-CB 3.96Å; Y86-L94 HydrophobicContact CG-CD1 4.01Å; Y86-L97 HydrophobicContact CD1-CD1 4.29Å; Y86-L118 HydrophobicContact CD1-CD1 3.94Å; Y86-L118 HydrophobicContact CD1-CG 4.39Å; Y86-L118 HydrophobicContact CE1-CD1 4.15Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.1Å; Y86-V119 WeakPolarHBondContact CD1-O 3.09Å; Y86-V119 PolarHBondContact N-O 2.83Å; Y86-G120 VanDerWaalsContact CZ-CA 3.44Å; Y86-N121 PolarHBondContact O-N 2.81Å; Y86-V130 HydrophobicContact CD2-CG2 4.5Å; Y86-V130 HydrophobicContact CE2-CB 3.94Å; Y86-V130 HydrophobicContact CE2-CG1 3.74Å; Y86-V130 HydrophobicContact CE2-CG2 4.16Å; Y86-F146 HydrophobicContact CE1-CE2 4.24Å
87	A	98.6	Very high	97.6	Very high	4 Å²	4	37 Å²	37	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133	171.1	0	0	0	0	0	109.2	V18 T89 S90 S93 N121 K122	V18-A87 HydrophobicContact CB-CB 4.37Å; V18-A87 HydrophobicContact CG1-CB 4.4Å; A87-T89 PolarHBondContact O-N 3.29Å; A87-S90 PolarHBondContact O-N 3.41Å; A87-S93 PolarHBondContact N-OG 3.42Å; A87-S93 PolarHBondContact O-OG 3Å; A87-N121 WeakPolarHBondContact CA-O 3.44Å; A87-K122 HydrophobicContact CB-CD 4.07Å; A87-K122 HydrophobicContact CB-CG 4.45Å
88	I	98.7	Very high	97.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.2	178.9	66.5	165.4	0	0	0	113.2	Y86 S90 N121 K122 R128 E129 V130	Y86-I88 HydrophobicContact CE2-CG2 4.14Å; I88-S90 VanDerWaalsContact C-N 3.28Å; I88-N121 PolarHBondContact N-O 2.97Å; I88-K122 VanDerWaalsContact CD1-O 3.29Å; I88-K122 WeakPolarHBondContact CD1-O 3.2Å; I88-K122 WeakPolarHBondContact CG1-O 3.43Å; I88-R128 HydrophobicContact CD1-CG 3.86Å; I88-E129 PolarHBondContact O-N 3.12Å; I88-V130 PolarHBondContact O-N 2.9Å
89	T	98.4	Very high	97.8	Very high	39 Å²	39	38 Å²	38	24%	0.239	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.9	175.7	69.4	0	0	0	0	112.9	A87 E125 H127	A87-T89 PolarHBondContact O-N 3.29Å; T89-E125 HydrophobicContact CG2-CB 3.49Å; T89-E125 VanDerWaalsContact CG2-CB 3.49Å; T89-E125 HydrophobicContact CG2-CG 3.86Å; T89-H127 WeakPolarHBondContact CB-O 3.36Å; T89-H127 WeakPolarHBondContact CG2-O 3.04Å
90	S	98.3	Very high	97.7	Very high	34 Å²	34	38.5 Å²	38.5	24%	0.238	19%	0.192	C	C	.	.			trans	-149.8	100.7	-179.1	178.4	0	0	0	0	111	A87 I88 Q92 S93 E129	A87-S90 PolarHBondContact O-N 3.41Å; I88-S90 VanDerWaalsContact C-N 3.28Å; S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 3.41Å; S90-S93 WeakPolarHBondContact O-CB 3.33Å; S90-S93 PolarHBondContact O-N 3.34Å; S90-S93 VanDerWaalsContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 3.35Å; S90-S93 PolarHBondContact OG-N 3.22Å; S90-E129 VanDerWaalsContact CA-OE2 3.27Å; S90-E129 WeakPolarHBondContact CA-OE2 3Å
91	K	98.1	Very high	97.7	Very high	114 Å²	114	36.4 Å²	36.4	50%	0.496	18%	0.181	S	C	.	.	H	α-helix	trans	-60.8	-38.9	175.2	-178.3	176	176.8	177.8	0	112	S93 L94 E95 E129 V130	K91-S93 PolarHBondContact O-N 3.42Å; K91-L94 WeakPolarHBondContact O-CB 3.48Å; K91-L94 PolarHBondContact O-N 3.15Å; K91-L94 VanDerWaalsContact O-N 3.08Å; K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 PolarHBondContact O-N 3.28Å; K91-E129 HydrophobicContact CB-CB 4.19Å; K91-E129 PolarHBondContact N-OE2 3.04Å; K91-V130 HydrophobicContact CB-CG2 3.98Å; K91-V130 HydrophobicContact CG-CG2 4.37Å
92	Q	97.8	Very high	97.6	Very high	122 Å²	122	41.5 Å²	41.5	57%	0.57	21%	0.205	S	C	*	.	H	α-helix	trans	-54.4	-41.1	174.6	-178.5	-177.5	-13.2	0	0	111.8	S90 L94 E95 E96	S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 3.41Å; Q92-L94 PolarHBondContact O-N 3.11Å; Q92-E95 PolarHBondContact O-N 3.45Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; Q92-E96 HydrophobicContact CG-CG 4.39Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.35Å; Q92-E96 PolarHBondContact NE2-OE1 2.92Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.17Å
93	S	98.3	Very high	97.5	Very high	4 Å²	4	43 Å²	43	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-26.3	-179	75.4	0	0	0	0	113.8	Y86 A87 S90 K91	Y86-S93 WeakPolarHBondContact CB-OG 3.45Å; A87-S93 PolarHBondContact N-OG 3.42Å; A87-S93 PolarHBondContact O-OG 3Å; S90-S93 WeakPolarHBondContact O-CB 3.33Å; S90-S93 PolarHBondContact O-N 3.34Å; S90-S93 VanDerWaalsContact O-N 3.12Å; S90-S93 PolarHBondContact O-OG 3.35Å; S90-S93 PolarHBondContact OG-N 3.22Å; K91-S93 PolarHBondContact O-N 3.42Å
94	L	98.5	Very high	97.3	Very high	19 Å²	19	43 Å²	43	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-75.1	-43.1	171.8	177.4	59.4	0	0	0	111.2	Y86 K91 Q92 E96 L97 L118 V130 Q138	Y86-L94 HydrophobicContact CD1-CD1 3.73Å; Y86-L94 HydrophobicContact CD2-CB 3.9Å; Y86-L94 HydrophobicContact CD2-CD1 4.47Å; Y86-L94 HydrophobicContact CE1-CD1 3.95Å; Y86-L94 HydrophobicContact CE2-CB 4.47Å; Y86-L94 HydrophobicContact CG-CB 3.96Å; Y86-L94 HydrophobicContact CG-CD1 4.01Å; K91-L94 WeakPolarHBondContact O-CB 3.48Å; K91-L94 PolarHBondContact O-N 3.15Å; K91-L94 VanDerWaalsContact O-N 3.08Å; Q92-L94 PolarHBondContact O-N 3.11Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.3Å; L94-L97 HydrophobicContact CD1-CD1 4.28Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.4Å; L94-L97 VanDerWaalsContact O-N 3.15Å; L94-L118 HydrophobicContact CD1-CD1 4Å; L94-L118 HydrophobicContact CD1-CD2 4.26Å; L94-V130 HydrophobicContact CD2-CG1 3.91Å; L94-V130 HydrophobicContact CD2-CG2 4.49Å; L94-Q138 HydrophobicContact CD1-CG 4.18Å
95	E	97.2	Very high	97.1	Very high	119 Å²	119	44.9 Å²	44.9	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-62.7	-38	179.1	-66.4	177	179.7	0	0	111.9	K91 Q92 L97 K98	K91-E95 WeakPolarHBondContact CE-OE1 3.49Å; K91-E95 PolarHBondContact O-N 3.28Å; Q92-E95 PolarHBondContact O-N 3.45Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; E95-L97 PolarHBondContact O-N 3.33Å; E95-L97 VanDerWaalsContact O-N 3.15Å; E95-K98 WeakPolarHBondContact O-CB 3.3Å; E95-K98 PolarHBondContact O-N 3.32Å
96	E	95.9	Very high	96.9	Very high	75 Å²	75	49 Å²	49	35%	0.35	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14	176.4	-76	-175.7	-154.1	0	0	114.2	A15 S65 Q92 L94 K98 P99	A15-E96 WeakPolarHBondContact CB-OE2 3.45Å; S65-E96 PolarHBondContact OG-OE2 3.18Å; Q92-E96 HydrophobicContact CG-CG 4.39Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.35Å; Q92-E96 PolarHBondContact NE2-OE1 2.92Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.17Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.3Å; E96-K98 VanDerWaalsContact C-N 3.35Å; E96-P99 WeakPolarHBondContact O-CD 3.29Å
97	L	97.6	Very high	96.7	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-78.1	-18.9	176.2	-69.9	174	0	0	0	113.2	L84 Y86 L94 E95 I100 Y101 L118 W142	L84-L97 HydrophobicContact CB-CD1 4.02Å; L84-L97 HydrophobicContact CB-CD2 4Å; Y86-L97 HydrophobicContact CD1-CD1 4.29Å; L94-L97 HydrophobicContact CD1-CD1 4.28Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.4Å; L94-L97 VanDerWaalsContact O-N 3.15Å; E95-L97 PolarHBondContact O-N 3.33Å; E95-L97 VanDerWaalsContact O-N 3.15Å; L97-I100 HydrophobicContact CD2-CG2 4.17Å; L97-I100 WeakPolarHBondContact O-CG2 3.2Å; L97-I100 PolarHBondContact O-N 2.98Å; L97-Y101 WeakPolarHBondContact O-CB 3.27Å; L97-Y101 PolarHBondContact O-N 2.98Å; L97-L118 HydrophobicContact CD1-CD1 3.62Å; L97-W142 HydrophobicContact CB-CH2 3.73Å; L97-W142 HydrophobicContact CB-CZ3 4.09Å
98	K	96.8	Very high	96.5	Very high	118 Å²	118	55 Å²	55	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-46.4	-175.2	-179.1	179.3	179	-178.5	0	113.6	E95 E96 I100 Y101 Q102 W142	E95-K98 WeakPolarHBondContact O-CB 3.3Å; E95-K98 PolarHBondContact O-N 3.32Å; E96-K98 VanDerWaalsContact C-N 3.35Å; K98-I100 PolarHBondContact O-N 2.93Å; K98-Y101 PolarHBondContact O-N 2.84Å; K98-Q102 WeakPolarHBondContact O-CG 3.39Å; K98-Q102 PolarHBondContact O-N 2.67Å; K98-W142 HydrophobicContact CB-CZ2 4.02Å; K98-W142 HydrophobicContact CG-CZ2 4.44Å
99	P	95.8	Very high	95.8	Very high	82 Å²	82	57.3 Å²	57.3	53%	0.532	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-42.2	179.8	-23.3	35.4	0	0	0	112.9	E96 Q102 Q103	E96-P99 WeakPolarHBondContact O-CD 3.29Å; P99-Q102 PolarHBondContact O-N 3.43Å; P99-Q103 WeakPolarHBondContact O-CB 3.5Å; P99-Q103 PolarHBondContact O-N 3.48Å
100	I	95.7	Very high	94.8	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-39	-179.8	-173.8	51.9	0	0	0	111.5	F13 Q72 I76 L84 L97 K98 Q102 Q103 I104	F13-I100 HydrophobicContact CB-CG1 4.05Å; F13-I100 HydrophobicContact CB-CG2 4.49Å; F13-I100 HydrophobicContact CD1-CD1 4.3Å; F13-I100 HydrophobicContact CD1-CG1 4.06Å; F13-I100 HydrophobicContact CD2-CD1 4.17Å; F13-I100 HydrophobicContact CD2-CG1 3.76Å; F13-I100 HydrophobicContact CE1-CD1 4.19Å; F13-I100 HydrophobicContact CE1-CG1 4.43Å; F13-I100 HydrophobicContact CE2-CD1 4.04Å; F13-I100 HydrophobicContact CE2-CG1 4.15Å; F13-I100 HydrophobicContact CG-CD1 4.29Å; F13-I100 HydrophobicContact CG-CG1 3.7Å; F13-I100 HydrophobicContact CZ-CD1 4.05Å; F13-I100 HydrophobicContact CZ-CG1 4.47Å; Q72-I100 HydrophobicContact CG-CD1 3.73Å; I76-I100 HydrophobicContact CD1-CD1 3.61Å; I76-I100 HydrophobicContact CG1-CD1 4.23Å; L84-I100 HydrophobicContact CD2-CG2 4.29Å; L97-I100 HydrophobicContact CD2-CG2 4.17Å; L97-I100 WeakPolarHBondContact O-CG2 3.2Å; L97-I100 PolarHBondContact O-N 2.98Å; K98-I100 PolarHBondContact O-N 2.93Å; I100-Q102 PolarHBondContact O-N 3.07Å; I100-Q103 PolarHBondContact O-N 2.87Å; I100-I104 HydrophobicContact CG1-CD1 4.32Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.24Å
101	Y	96.1	Very high	93.3	Very high	19 Å²	19	60.1 Å²	60.1	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-50.9	172.3	173.8	-105.9	0	0	0	111.2	L84 L97 K98 Q103 I104 L105 I116 W142	L84-Y101 HydrophobicContact CD1-CD2 4.02Å; L84-Y101 HydrophobicContact CD1-CG 4.45Å; L97-Y101 WeakPolarHBondContact O-CB 3.27Å; L97-Y101 PolarHBondContact O-N 2.98Å; K98-Y101 PolarHBondContact O-N 2.84Å; Y101-Q103 VanDerWaalsContact C-N 3.29Å; Y101-Q103 PolarHBondContact O-N 2.87Å; Y101-I104 WeakPolarHBondContact O-CB 3.43Å; Y101-I104 PolarHBondContact O-N 2.93Å; Y101-L105 HydrophobicContact CD1-CD1 4.48Å; Y101-L105 HydrophobicContact CD2-CD2 4.43Å; Y101-L105 HydrophobicContact CE1-CD1 3.74Å; Y101-L105 HydrophobicContact CE1-CG 4.26Å; Y101-L105 HydrophobicContact CE2-CD2 3.83Å; Y101-L105 HydrophobicContact CE2-CG 4.39Å; Y101-L105 WeakPolarHBondContact O-CG 3.34Å; Y101-L105 PolarHBondContact O-N 3.3Å; Y101-L105 VanDerWaalsContact O-N 3.16Å; Y101-I116 HydrophobicContact CD2-CD1 4.41Å; Y101-I116 HydrophobicContact CE2-CD1 4.08Å; Y101-W142 AromaticContact CD1-CD1 3.91Å; Y101-W142 AromaticContact CD1-CD2 3.59Å; Y101-W142 HydrophobicContact CD1-CD2 3.59Å; Y101-W142 AromaticContact CD1-CE2 3.62Å; Y101-W142 HydrophobicContact CD1-CE3 4.1Å; Y101-W142 AromaticContact CD1-CG 3.82Å; Y101-W142 HydrophobicContact CD1-CG 3.82Å; Y101-W142 HydrophobicContact CD1-CZ2 4.2Å; Y101-W142 AromaticContact CD1-NE1 3.77Å; Y101-W142 HydrophobicContact CD2-CD2 4.01Å; Y101-W142 AromaticContact CD2-CE3 3.78Å; Y101-W142 HydrophobicContact CD2-CE3 3.78Å; Y101-W142 HydrophobicContact CD2-CG 4.36Å; Y101-W142 HydrophobicContact CD2-CZ3 4.36Å; Y101-W142 HydrophobicContact CE1-CB 3.94Å; Y101-W142 AromaticContact CE1-CD1 3.54Å; Y101-W142 AromaticContact CE1-CD2 3.81Å; Y101-W142 HydrophobicContact CE1-CD2 3.81Å; Y101-W142 AromaticContact CE1-CG 3.49Å; Y101-W142 HydrophobicContact CE1-CG 3.49Å; Y101-W142 VanDerWaalsContact CE1-CG 3.49Å; Y101-W142 AromaticContact CE1-NE1 3.86Å; Y101-W142 HydrophobicContact CE2-CB 3.88Å; Y101-W142 HydrophobicContact CE2-CD2 4.22Å; Y101-W142 HydrophobicContact CE2-CE3 4.27Å; Y101-W142 HydrophobicContact CE2-CG 4.09Å; Y101-W142 AromaticContact CG-CD2 3.7Å; Y101-W142 HydrophobicContact CG-CD2 3.7Å; Y101-W142 AromaticContact CG-CE3 3.7Å; Y101-W142 HydrophobicContact CG-CE3 3.7Å; Y101-W142 HydrophobicContact CG-CG 4.25Å; Y101-W142 HydrophobicContact CG-CH2 4.35Å; Y101-W142 HydrophobicContact CG-CZ2 4.34Å; Y101-W142 HydrophobicContact CG-CZ3 4.03Å; Y101-W142 AromaticContact CZ-CG 3.66Å; Y101-W142 PolarHBondContact OH-O 3.04Å
102	Q	95	Very high	92	Very high	107 Å²	107	61.7 Å²	61.7	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-38.4	177.6	-71.6	176.7	-26.4	0	0	112.8	K98 P99 I100 L105 A106	K98-Q102 WeakPolarHBondContact O-CG 3.39Å; K98-Q102 PolarHBondContact O-N 2.67Å; P99-Q102 PolarHBondContact O-N 3.43Å; I100-Q102 PolarHBondContact O-N 3.07Å; Q102-L105 PolarHBondContact O-N 3.38Å; Q102-A106 PolarHBondContact O-N 2.91Å
103	Q	95.3	Very high	91	Very high	33 Å²	33	58.4 Å²	58.4	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-36.7	178.2	-164.7	-178.1	28.3	0	0	112.5	R73 I76 P99 I100 Y101 L105 A106 I107	R73-Q103 VanDerWaalsContact CG-NE2 3.35Å; I76-Q103 HydrophobicContact CD1-CB 4.1Å; I76-Q103 HydrophobicContact CD1-CG 3.73Å; P99-Q103 WeakPolarHBondContact O-CB 3.5Å; P99-Q103 PolarHBondContact O-N 3.48Å; I100-Q103 PolarHBondContact O-N 2.87Å; Y101-Q103 VanDerWaalsContact C-N 3.29Å; Y101-Q103 PolarHBondContact O-N 2.87Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 2.85Å; Q103-A106 PolarHBondContact O-N 3.35Å; Q103-I107 HydrophobicContact CG-CD1 3.95Å; Q103-I107 WeakPolarHBondContact O-CG1 3.46Å; Q103-I107 PolarHBondContact O-N 3.4Å; Q103-I107 VanDerWaalsContact O-N 3.09Å
104	I	95.8	Very high	90.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-48.2	171.5	-70.9	161.8	0	0	0	109.6	F13 I76 F82 L84 I100 Y101 A106 I107 K108 I116	F13-I104 HydrophobicContact CD2-CD1 4.33Å; F13-I104 HydrophobicContact CE2-CD1 4.47Å; I76-I104 HydrophobicContact CD1-CG1 4.21Å; I76-I104 HydrophobicContact CG1-CG1 4.01Å; I76-I104 HydrophobicContact CG2-CB 4.43Å; I76-I104 HydrophobicContact CG2-CG1 4.11Å; F82-I104 HydrophobicContact CB-CD1 3.97Å; F82-I104 HydrophobicContact CD1-CD1 3.94Å; F82-I104 HydrophobicContact CD1-CG1 4.26Å; F82-I104 HydrophobicContact CD2-CD1 4.24Å; F82-I104 HydrophobicContact CD2-CG1 4.42Å; F82-I104 HydrophobicContact CD2-CG2 3.7Å; F82-I104 HydrophobicContact CE1-CG1 4.42Å; F82-I104 HydrophobicContact CE2-CG2 3.73Å; F82-I104 HydrophobicContact CG-CD1 3.75Å; F82-I104 HydrophobicContact CG-CG1 4.27Å; F82-I104 HydrophobicContact CG-CG2 4.33Å; F82-I104 HydrophobicContact CZ-CG2 4.39Å; L84-I104 HydrophobicContact CD2-CD1 3.96Å; I100-I104 HydrophobicContact CG1-CD1 4.32Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.24Å; Y101-I104 WeakPolarHBondContact O-CB 3.43Å; Y101-I104 PolarHBondContact O-N 2.93Å; I104-A106 PolarHBondContact O-N 3.39Å; I104-I107 PolarHBondContact O-N 3.47Å; I104-K108 HydrophobicContact CG2-CG 4.37Å; I104-K108 VanDerWaalsContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CB 3.23Å; I104-K108 WeakPolarHBondContact O-CG 3.19Å; I104-K108 PolarHBondContact O-N 3.09Å; I104-I116 HydrophobicContact CG2-CD1 3.98Å
105	L	93.9	Very high	90.6	Very high	40 Å²	40	58.7 Å²	58.7	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-46.3	179.2	-51.2	-166.3	0	0	0	111.8	Y101 Q102 Q103 I107 K108 G109 V111 I116	Y101-L105 HydrophobicContact CD1-CD1 4.48Å; Y101-L105 HydrophobicContact CD2-CD2 4.43Å; Y101-L105 HydrophobicContact CE1-CD1 3.74Å; Y101-L105 HydrophobicContact CE1-CG 4.26Å; Y101-L105 HydrophobicContact CE2-CD2 3.83Å; Y101-L105 HydrophobicContact CE2-CG 4.39Å; Y101-L105 WeakPolarHBondContact O-CG 3.34Å; Y101-L105 PolarHBondContact O-N 3.3Å; Y101-L105 VanDerWaalsContact O-N 3.16Å; Q102-L105 PolarHBondContact O-N 3.38Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 2.85Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.05Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-G109 WeakPolarHBondContact O-CA 3.28Å; L105-G109 PolarHBondContact O-N 3.32Å; L105-V111 HydrophobicContact CB-CG2 4.39Å; L105-V111 HydrophobicContact CD1-CG2 3.67Å; L105-V111 HydrophobicContact CD2-CB 3.98Å; L105-V111 HydrophobicContact CD2-CG1 3.6Å; L105-V111 HydrophobicContact CD2-CG2 3.44Å; L105-V111 VanDerWaalsContact CD2-CG2 3.44Å; L105-V111 HydrophobicContact CG-CG2 3.97Å; L105-I116 HydrophobicContact CD2-CD1 4.37Å
106	A	94.5	Very high	90.6	Very high	85 Å²	85	53.2 Å²	53.2	70%	0.702	30%	0.298	S	S	*	.	H	α-helix	trans	-60.8	-36.3	-178.5	0	0	0	0	0	112.8	Q102 Q103 I104	Q102-A106 PolarHBondContact O-N 2.91Å; Q103-A106 PolarHBondContact O-N 3.35Å; I104-A106 PolarHBondContact O-N 3.39Å
107	I	95.3	Very high	90.7	Very high	66 Å²	66	49.9 Å²	49.9	34%	0.338	28%	0.282	S	S	.	.	H	α-helix	trans	-85.2	-37	-177.4	-67.5	170.9	0	0	0	112	R73 I76 Q103 I104 L105	R73-I107 HydrophobicContact CB-CD1 4.13Å; R73-I107 HydrophobicContact CG-CD1 3.95Å; I76-I107 HydrophobicContact CB-CD1 3.98Å; I76-I107 HydrophobicContact CD1-CD1 3.91Å; I76-I107 HydrophobicContact CG2-CB 3.75Å; I76-I107 HydrophobicContact CG2-CD1 3.84Å; I76-I107 HydrophobicContact CG2-CG1 4.37Å; I76-I107 HydrophobicContact CG2-CG2 3.78Å; Q103-I107 HydrophobicContact CG-CD1 3.95Å; Q103-I107 WeakPolarHBondContact O-CG1 3.46Å; Q103-I107 PolarHBondContact O-N 3.4Å; Q103-I107 VanDerWaalsContact O-N 3.09Å; I104-I107 PolarHBondContact O-N 3.47Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 PolarHBondContact O-N 3.05Å
108	K	93.1	Very high	90.8	Very high	66 Å²	66	49.8 Å²	49.8	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-92.6	-16.9	-175.2	-66.3	-63.4	-165.1	-172.8	0	114.1	I76 S77 G79 F82 I104 L105 N110 I114	I76-K108 HydrophobicContact CG2-CG 4.34Å; I76-K108 WeakPolarHBondContact O-CE 3.43Å; I76-K108 PolarHBondContact O-NZ 3.28Å; S77-K108 PolarHBondContact O-NZ 3.27Å; G79-K108 WeakPolarHBondContact O-CE 3.36Å; G79-K108 PolarHBondContact O-NZ 3.34Å; F82-K108 HydrophobicContact CE2-CG 4.26Å; I104-K108 HydrophobicContact CG2-CG 4.37Å; I104-K108 VanDerWaalsContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CB 3.23Å; I104-K108 WeakPolarHBondContact O-CG 3.19Å; I104-K108 PolarHBondContact O-N 3.09Å; L105-K108 PolarHBondContact O-N 3.07Å; K108-N110 PolarHBondContact O-N 3.45Å; K108-I114 HydrophobicContact CB-CD1 3.14Å; K108-I114 HydrophobicContact CB-CG1 3.97Å; K108-I114 HydrophobicContact CG-CD1 3.87Å; K108-I114 HydrophobicContact CG-CG1 4.45Å
109	G	85.4	Confident	90.9	Very high	48 Å²	48	44.1 Å²	44.1	50%	0.495	26%	0.257	S	S	.	.			trans	80.5	-105.9	-177.4	0	0	0	0	0	111.8	L105 V111	L105-G109 WeakPolarHBondContact O-CA 3.28Å; L105-G109 PolarHBondContact O-N 3.32Å; G109-V111 PolarHBondContact O-N 2.95Å
110	N	77.6	Confident	91	Very high	100 Å²	100	40.2 Å²	40.2	54%	0.535	23%	0.232	S	C	.	.			trans	-75.3	112.9	-170	-172.2	-1.9	0	0	0	112.6	K108 E112 A113 I114	K108-N110 PolarHBondContact O-N 3.45Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 2.99Å; N110-E112 PolarHBondContact OD1-N 3.45Å; N110-E112 VanDerWaalsContact OD1-N 3.09Å; N110-A113 PolarHBondContact O-N 3.36Å; N110-I114 WeakPolarHBondContact O-CD1 3.48Å; N110-I114 WeakPolarHBondContact O-CG1 3.22Å
111	V	65.4	Low	91.2	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.2	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58	-40.2	178.7	-164	0	0	0	0	112.7	L105 G109 A113 I114 I116	L105-V111 HydrophobicContact CB-CG2 4.39Å; L105-V111 HydrophobicContact CD1-CG2 3.67Å; L105-V111 HydrophobicContact CD2-CB 3.98Å; L105-V111 HydrophobicContact CD2-CG1 3.6Å; L105-V111 HydrophobicContact CD2-CG2 3.44Å; L105-V111 VanDerWaalsContact CD2-CG2 3.44Å; L105-V111 HydrophobicContact CG-CG2 3.97Å; G109-V111 PolarHBondContact O-N 2.95Å; V111-A113 PolarHBondContact O-N 3.13Å; V111-I114 PolarHBondContact O-N 3.32Å; V111-I114 VanDerWaalsContact O-N 3.08Å; V111-I116 HydrophobicContact CG1-CD1 4.49Å
112	E	70.2	Confident	91.3	Very high	146 Å²	146	41.9 Å²	41.9	68%	0.682	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.7	-12.2	-173.8	-62.6	-178.5	175.3	0	0	112.4	N110 K143	N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 2.99Å; N110-E112 PolarHBondContact OD1-N 3.45Å; N110-E112 VanDerWaalsContact OD1-N 3.09Å; E112-K143 IonicContact OE1-NZ 3.19Å; E112-K143 PolarHBondContact OE1-NZ 2.81Å
113	A	78.3	Confident	91.5	Very high	53 Å²	53	38.5 Å²	38.5	44%	0.438	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-100.5	-2.4	179	0	0	0	0	0	114	N110 V111	N110-A113 PolarHBondContact O-N 3.36Å; V111-A113 PolarHBondContact O-N 3.13Å
114	I	90.8	Very high	91.6	Very high	24 Å²	24	39.3 Å²	39.3	12%	0.123	23%	0.233	C	C	.	.	S	Bend	trans	-115.1	121.1	-172.6	-51.8	152.9	0	0	0	109.4	F82 K108 N110 V111 I116	F82-I114 HydrophobicContact CD2-CG2 3.68Å; F82-I114 HydrophobicContact CE2-CG2 3.7Å; K108-I114 HydrophobicContact CB-CD1 3.14Å; K108-I114 HydrophobicContact CB-CG1 3.97Å; K108-I114 HydrophobicContact CG-CD1 3.87Å; K108-I114 HydrophobicContact CG-CG1 4.45Å; N110-I114 WeakPolarHBondContact O-CD1 3.48Å; N110-I114 WeakPolarHBondContact O-CG1 3.22Å; V111-I114 PolarHBondContact O-N 3.32Å; V111-I114 VanDerWaalsContact O-N 3.08Å; I114-I116 HydrophobicContact CB-CG1 4.44Å; I114-I116 HydrophobicContact CG2-CD1 4.4Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å; I114-I116 PolarHBondContact O-N 3.05Å; I114-I116 VanDerWaalsContact O-N 3.1Å
115	P	96.6	Very high	91.6	Very high	5 Å²	5	43 Å²	43	3%	0.032	25%	0.25	C	C	.	.			trans	-62.1	113	170.8	-26.3	38.1	0	0	0	111.2	A81 F82 L164 L167 D168	A81-P115 WeakPolarHBondContact CA-O 3.5Å; A81-P115 HydrophobicContact CB-CB 3.77Å; A81-P115 HydrophobicContact CB-CG 4.38Å; F82-P115 PolarHBondContact N-O 2.84Å; P115-L164 HydrophobicContact CB-CD1 4.08Å; P115-L167 HydrophobicContact CB-CB 3.83Å; P115-L167 HydrophobicContact CG-CB 4.2Å; P115-D168 HydrophobicContact CG-CB 3.84Å
116	I	97.9	Very high	91.7	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129	174.1	-57.7	173.7	0	0	0	108	F82 L84 Y101 I104 L105 V111 I114 C144 A145	F82-I116 HydrophobicContact CB-CG1 4.36Å; F82-I116 HydrophobicContact CD2-CG1 4.29Å; F82-I116 WeakPolarHBondContact O-CA 3.49Å; L84-I116 HydrophobicContact CD1-CG2 4.02Å; L84-I116 HydrophobicContact CG-CG2 4.18Å; Y101-I116 HydrophobicContact CD2-CD1 4.41Å; Y101-I116 HydrophobicContact CE2-CD1 4.08Å; I104-I116 HydrophobicContact CG2-CD1 3.98Å; L105-I116 HydrophobicContact CD2-CD1 4.37Å; V111-I116 HydrophobicContact CG1-CD1 4.49Å; I114-I116 HydrophobicContact CB-CG1 4.44Å; I114-I116 HydrophobicContact CG2-CD1 4.4Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å; I114-I116 PolarHBondContact O-N 3.05Å; I114-I116 VanDerWaalsContact O-N 3.1Å; I116-C144 HydrophobicContact CB-CB 3.91Å; I116-C144 HydrophobicContact CG2-CB 3.91Å; I116-C144 WeakPolarHBondContact O-CB 3.36Å; I116-A145 PolarHBondContact O-N 3.13Å; I116-A145 VanDerWaalsContact O-N 3.08Å
117	M	98.6	Very high	91.7	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.7	172.8	-175.6	73	71.5	0	0	110	F82 I83 L84 V119 A145 M147 L160 E163 L164 L167	F82-M117 PolarHBondContact O-N 2.84Å; I83-M117 WeakPolarHBondContact CA-O 3.34Å; L84-M117 PolarHBondContact N-O 3.31Å; M117-V119 HydrophobicContact CB-CG2 4.43Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; M117-A145 HydrophobicContact CE-CB 3.69Å; M117-A145 VanDerWaalsContact SD-C 3.52Å; M117-A145 HydrophobicContact SD-CB 3.46Å; M117-A145 WeakPolarHBondContact SD-CB 3.46Å; M117-M147 HydrophobicContact SD-CB 4.04Å; M117-L160 HydrophobicContact CB-CD1 4.22Å; M117-L160 HydrophobicContact CG-CD1 3.5Å; M117-L160 VanDerWaalsContact CG-CD1 3.5Å; M117-E163 HydrophobicContact CE-CB 3.9Å; M117-L164 HydrophobicContact CB-CD1 3.81Å; M117-L167 HydrophobicContact CE-CD1 4.44Å
118	L	98.8	Very high	91.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.1	165.1	-179.2	64.8	0	0	0	109.1	L84 Y86 L94 L97 Q138 A139 W142 A145 F146 M147	L84-L118 HydrophobicContact CB-CD1 4.26Å; Y86-L118 HydrophobicContact CD1-CD1 3.94Å; Y86-L118 HydrophobicContact CD1-CG 4.39Å; Y86-L118 HydrophobicContact CE1-CD1 4.15Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.1Å; L94-L118 HydrophobicContact CD1-CD1 4Å; L94-L118 HydrophobicContact CD1-CD2 4.26Å; L97-L118 HydrophobicContact CD1-CD1 3.62Å; L118-Q138 HydrophobicContact CD2-CB 4.11Å; L118-Q138 HydrophobicContact CD2-CG 4.11Å; L118-A139 HydrophobicContact CB-CB 4.42Å; L118-A139 HydrophobicContact CD2-CB 4.08Å; L118-W142 HydrophobicContact CD1-CZ3 4.25Å; L118-A145 PolarHBondContact N-O 3.09Å; L118-F146 HydrophobicContact CB-CD2 4.28Å; L118-F146 HydrophobicContact CD2-CD2 4.15Å; L118-F146 HydrophobicContact CG-CD2 4.11Å; L118-F146 WeakPolarHBondContact O-CA 3.44Å; L118-M147 PolarHBondContact O-N 2.69Å
119	V	98.9	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.3	-173.4	-178.5	0	0	0	0	111.5	L23 I83 L84 V85 Y86 M117 N121 M147 T149 L160	L23-V119 HydrophobicContact CD1-CG1 4.16Å; I83-V119 HydrophobicContact CG2-CB 4.33Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; L84-V119 PolarHBondContact O-N 2.99Å; V85-V119 WeakPolarHBondContact CA-O 3.39Å; V85-V119 HydrophobicContact CG2-CB 4.36Å; Y86-V119 WeakPolarHBondContact CD1-O 3.09Å; Y86-V119 PolarHBondContact N-O 2.83Å; M117-V119 HydrophobicContact CB-CG2 4.43Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; V119-N121 PolarHBondContact O-N 2.84Å; V119-M147 VanDerWaalsContact CA-O 3.3Å; V119-M147 WeakPolarHBondContact CA-O 3.15Å; V119-T149 HydrophobicContact CG1-CG2 3.79Å; V119-T149 WeakPolarHBondContact CG1-OG1 3.49Å; V119-L160 HydrophobicContact CG1-CD2 4.34Å; V119-L160 HydrophobicContact CG2-CD1 3.44Å; V119-L160 VanDerWaalsContact CG2-CD1 3.44Å; V119-L160 HydrophobicContact CG2-CD2 4.07Å; V119-L160 HydrophobicContact CG2-CG 4.42Å
120	G	98.8	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	96.2	166.8	0	0	0	0	0	110.1	Y86 M147 E148 T149	Y86-G120 VanDerWaalsContact CZ-CA 3.44Å; G120-M147 PolarHBondContact N-O 2.85Å; G120-E148 CarbonylContact O-C 3.53Å; G120-E148 VanDerWaalsContact O-CA 3.23Å; G120-E148 WeakPolarHBondContact O-CA 3.37Å; G120-T149 PolarHBondContact O-N 3.26Å
121	N	98.8	Very high	93.7	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	165.4	179.6	-171.9	35.8	0	0	0	111.7	V18 L23 V85 Y86 A87 I88 V119 T149 A151	V18-N121 PolarHBondContact O-ND2 3.08Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; V85-N121 HydrophobicContact CG1-CB 3.79Å; Y86-N121 PolarHBondContact O-N 2.81Å; A87-N121 WeakPolarHBondContact CA-O 3.44Å; I88-N121 PolarHBondContact N-O 2.97Å; V119-N121 PolarHBondContact O-N 2.84Å; N121-T149 CarbonylContact C-O 3.57Å; N121-T149 WeakPolarHBondContact CA-O 3.5Å; N121-T149 PolarHBondContact OD1-O 3.12Å; N121-T149 PolarHBondContact OD1-OG1 3.1Å; N121-A151 PolarHBondContact OD1-N 2.73Å
122	K	98.4	Very high	95.2	Very high	62 Å²	62	50.9 Å²	50.9	27%	0.27	26%	0.26	S	S	.	.			trans	68.7	37.4	-175.3	-45.6	-172.9	-173.7	-179.4	0	112.8	G17 A87 I88 D124 E125 T149	G17-K122 VanDerWaalsContact O-CE 3.3Å; G17-K122 WeakPolarHBondContact O-CE 3.4Å; G17-K122 PolarHBondContact O-NZ 3.08Å; A87-K122 HydrophobicContact CB-CD 4.07Å; A87-K122 HydrophobicContact CB-CG 4.45Å; I88-K122 VanDerWaalsContact CD1-O 3.29Å; I88-K122 WeakPolarHBondContact CD1-O 3.2Å; I88-K122 WeakPolarHBondContact CG1-O 3.43Å; K122-D124 WeakPolarHBondContact CA-OD1 3.01Å; K122-D124 PolarHBondContact O-N 3.29Å; K122-E125 HydrophobicContact CB-CG 3.91Å; K122-E125 WeakPolarHBondContact O-CB 3.19Å; K122-E125 PolarHBondContact O-N 3.09Å; K122-T149 PolarHBondContact N-O 3.29Å
123	S	98.4	Very high	96.6	Very high	35 Å²	35	50.4 Å²	50.4	25%	0.245	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.4	176.9	73.4	0	0	0	0	114.7	T149	S123-T149 WeakPolarHBondContact CB-O 3.39Å; S123-T149 PolarHBondContact N-O 3.04Å; S123-T149 PolarHBondContact OG-O 3.15Å
124	D	97.9	Very high	97.5	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.1	172	58.2	-74.2	0	0	0	114	K122 S150 K152 T153	K122-D124 WeakPolarHBondContact CA-OD1 3.01Å; K122-D124 PolarHBondContact O-N 3.29Å; D124-S150 WeakPolarHBondContact OD1-CB 3.44Å; D124-S150 PolarHBondContact OD1-OG 3.41Å; D124-K152 WeakPolarHBondContact OD2-CD 3.37Å; D124-K152 IonicContact OD2-NZ 3.83Å; D124-T153 HydrophobicContact CB-CG2 3.79Å
125	E	97.1	Very high	97.9	Very high	77 Å²	77	50.3 Å²	50.3	36%	0.36	25%	0.248	S	C	.	.			trans	-81.1	141.2	179.6	-65.8	-72	175.4	0	0	111.7	T89 K122	T89-E125 HydrophobicContact CG2-CB 3.49Å; T89-E125 VanDerWaalsContact CG2-CB 3.49Å; T89-E125 HydrophobicContact CG2-CG 3.86Å; K122-E125 HydrophobicContact CB-CG 3.91Å; K122-E125 WeakPolarHBondContact O-CB 3.19Å; K122-E125 PolarHBondContact O-N 3.09Å
126	T	94.8	Very high	98	Very high	116 Å²	116	54.3 Å²	54.3	71%	0.712	27%	0.266	S	S	*	.	S	Bend	trans	-88.3	-26.8	-179.4	53.9	0	0	0	0	113.3	R128	T126-R128 VanDerWaalsContact C-N 3.34Å; T126-R128 PolarHBondContact O-N 3.39Å
127	H	95.2	Very high	98	Very high	154 Å²	154	57 Å²	57	71%	0.713	28%	0.281	S	S	*	.			trans	-84.7	74.1	-178.9	-62.8	-64.2	0	0	0	111.2	T89	T89-H127 WeakPolarHBondContact CB-O 3.36Å; T89-H127 WeakPolarHBondContact CG2-O 3.04Å
128	R	97.5	Very high	98	Very high	74 Å²	74	58.6 Å²	58.6	28%	0.279	29%	0.288	S	S	.	.			trans	-80	139.3	-179.5	-52.1	-172.9	67.5	-175.1	20.7	111.6	I88 T126 V130 E131 T132 E148	I88-R128 HydrophobicContact CD1-CG 3.86Å; T126-R128 VanDerWaalsContact C-N 3.34Å; T126-R128 PolarHBondContact O-N 3.39Å; R128-V130 PolarHBondContact NE-O 3.17Å; R128-V130 PolarHBondContact NH2-O 3.49Å; R128-E131 IonicContact CZ-OE2 3.66Å; R128-E131 IonicContact NH1-OE2 2.9Å; R128-E131 PolarHBondContact NH1-OE2 3.43Å; R128-T132 PolarHBondContact NH1-OG1 3.47Å; R128-T132 PolarHBondContact NH2-OG1 3.38Å; R128-E148 IonicContact CZ-OE1 3.96Å; R128-E148 IonicContact NH2-OE1 2.7Å; R128-E148 PolarHBondContact NH2-OE1 2.92Å; R128-E148 IonicContact NH2-OE2 3.35Å; R128-E148 PolarHBondContact NH2-OE2 3.26Å
129	E	98.4	Very high	97.9	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	29%	0.289	S	S	.	.	S	Bend	trans	-109	-17.7	166.5	-65.8	-172.6	-177.8	0	0	112.4	I88 S90 K91	I88-E129 PolarHBondContact O-N 3.12Å; S90-E129 VanDerWaalsContact CA-OE2 3.27Å; S90-E129 WeakPolarHBondContact CA-OE2 3Å; K91-E129 HydrophobicContact CB-CB 4.19Å; K91-E129 PolarHBondContact N-OE2 3.04Å
130	V	98.3	Very high	97.8	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.018	32%	0.319	C	S	.	.	S	Bend	trans	-124.5	119.6	179.1	-175.8	0	0	0	0	108.1	Y86 I88 K91 L94 R128 D134	Y86-V130 HydrophobicContact CD2-CG2 4.5Å; Y86-V130 HydrophobicContact CE2-CB 3.94Å; Y86-V130 HydrophobicContact CE2-CG1 3.74Å; Y86-V130 HydrophobicContact CE2-CG2 4.16Å; I88-V130 PolarHBondContact O-N 2.9Å; K91-V130 HydrophobicContact CB-CG2 3.98Å; K91-V130 HydrophobicContact CG-CG2 4.37Å; L94-V130 HydrophobicContact CD2-CG1 3.91Å; L94-V130 HydrophobicContact CD2-CG2 4.49Å; R128-V130 PolarHBondContact NE-O 3.17Å; R128-V130 PolarHBondContact NH2-O 3.49Å; V130-D134 HydrophobicContact CG1-CB 3.82Å
131	E	98.3	Very high	97.7	Very high	102 Å²	102	72.4 Å²	72.4	48%	0.477	35%	0.35	S	S	.	.			trans	-75.7	156	174.6	-67.5	-57.9	153.4	0	0	111	R128 K133 D134 G135	R128-E131 IonicContact CZ-OE2 3.66Å; R128-E131 IonicContact NH1-OE2 2.9Å; R128-E131 PolarHBondContact NH1-OE2 3.43Å; E131-K133 PolarHBondContact O-N 3.16Å; E131-D134 PolarHBondContact N-OD2 3.18Å; E131-D134 VanDerWaalsContact N-OD2 3.15Å; E131-D134 WeakPolarHBondContact O-CB 3.32Å; E131-D134 PolarHBondContact O-N 3.03Å; E131-G135 PolarHBondContact O-N 3.4Å
132	T	98.2	Very high	97.6	Very high	40 Å²	40	73.4 Å²	73.4	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-55.7	-40.2	180	-53.3	0	0	0	0	110.4	R128 D134 G135 E136 F146 E148	R128-T132 PolarHBondContact NH1-OG1 3.47Å; R128-T132 PolarHBondContact NH2-OG1 3.38Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 2.98Å; T132-G135 PolarHBondContact O-N 3.25Å; T132-E136 WeakPolarHBondContact O-CG 3.49Å; T132-E136 PolarHBondContact O-N 2.93Å; T132-F146 HydrophobicContact CG2-CE1 3.95Å; T132-F146 HydrophobicContact CG2-CZ 4.45Å; T132-E148 HydrophobicContact CG2-CG 4.29Å; T132-E148 PolarHBondContact OG1-OE1 2.81Å; T132-E148 PolarHBondContact OG1-OE2 3.08Å
133	K	98.3	Very high	97.4	Very high	136 Å²	136	77.5 Å²	77.5	59%	0.591	37%	0.371	S	S	*	.	H	α-helix	trans	-60.8	-37	176.8	-176.1	173.2	-180	172.9	0	113.2	E131 G135 E136 D137	E131-K133 PolarHBondContact O-N 3.16Å; K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.32Å; K133-E136 PolarHBondContact O-N 2.98Å; K133-D137 VanDerWaalsContact O-CB 3.32Å; K133-D137 WeakPolarHBondContact O-CB 3.45Å; K133-D137 VanDerWaalsContact O-CG 3.27Å; K133-D137 PolarHBondContact O-N 3.32Å
134	D	97.9	Very high	97.2	Very high	74 Å²	74	76.8 Å²	76.8	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-38.7	178	-64	-46	0	0	0	111	V130 E131 T132 Q138	V130-D134 HydrophobicContact CG1-CB 3.82Å; E131-D134 PolarHBondContact N-OD2 3.18Å; E131-D134 VanDerWaalsContact N-OD2 3.15Å; E131-D134 WeakPolarHBondContact O-CB 3.32Å; E131-D134 PolarHBondContact O-N 3.03Å; T132-D134 VanDerWaalsContact C-N 3.33Å; T132-D134 PolarHBondContact O-N 2.98Å; D134-Q138 VanDerWaalsContact O-CB 3.26Å; D134-Q138 WeakPolarHBondContact O-CB 3.29Å; D134-Q138 PolarHBondContact O-N 3.5Å
135	G	98.1	Very high	97.2	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-46.6	173.2	0	0	0	0	0	112.5	E131 T132 K133 Q138 A139	E131-G135 PolarHBondContact O-N 3.4Å; T132-G135 PolarHBondContact O-N 3.25Å; K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.32Å; G135-Q138 PolarHBondContact O-N 3.26Å; G135-A139 WeakPolarHBondContact O-CB 3.3Å; G135-A139 PolarHBondContact O-N 2.99Å
136	E	98.6	Very high	97.3	Very high	90 Å²	90	74.2 Å²	74.2	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-49.1	174.6	-70.3	173.4	173.5	0	0	111.8	T132 K133 Q138 A139 N140 F146	T132-E136 WeakPolarHBondContact O-CG 3.49Å; T132-E136 PolarHBondContact O-N 2.93Å; K133-E136 PolarHBondContact O-N 2.98Å; E136-Q138 PolarHBondContact O-N 3.15Å; E136-A139 PolarHBondContact O-N 2.97Å; E136-N140 WeakPolarHBondContact O-CB 3.48Å; E136-N140 VanDerWaalsContact O-CG 3.27Å; E136-N140 PolarHBondContact O-N 2.99Å; E136-N140 PolarHBondContact O-ND2 2.52Å; E136-F146 HydrophobicContact CB-CD1 4.41Å; E136-F146 HydrophobicContact CG-CD1 3.5Å; E136-F146 VanDerWaalsContact CG-CD1 3.5Å; E136-F146 HydrophobicContact CG-CE1 3.65Å; E136-F146 HydrophobicContact CG-CG 4.44Å
137	D	98.6	Very high	97.5	Very high	59 Å²	59	70 Å²	70	32%	0.316	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-33.8	178.4	-75.7	-18.4	0	0	0	111.6	K133 R141	K133-D137 VanDerWaalsContact O-CB 3.32Å; K133-D137 WeakPolarHBondContact O-CB 3.45Å; K133-D137 VanDerWaalsContact O-CG 3.27Å; K133-D137 PolarHBondContact O-N 3.32Å; D137-R141 WeakPolarHBondContact O-CB 3.23Å; D137-R141 VanDerWaalsContact O-CG 3.3Å; D137-R141 WeakPolarHBondContact O-CG 3.3Å; D137-R141 PolarHBondContact O-N 3.29Å; D137-R141 VanDerWaalsContact O-N 3.13Å; D137-R141 PolarHBondContact O-NE 2.88Å
138	Q	98.4	Very high	97.7	Very high	39 Å²	39	64.1 Å²	64.1	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-71.7	-42.7	175.7	-172.5	56.3	75.2	0	0	111.8	L94 L118 D134 G135 E136 R141 W142	L94-Q138 HydrophobicContact CD1-CG 4.18Å; L118-Q138 HydrophobicContact CD2-CB 4.11Å; L118-Q138 HydrophobicContact CD2-CG 4.11Å; D134-Q138 VanDerWaalsContact O-CB 3.26Å; D134-Q138 WeakPolarHBondContact O-CB 3.29Å; D134-Q138 PolarHBondContact O-N 3.5Å; G135-Q138 PolarHBondContact O-N 3.26Å; E136-Q138 PolarHBondContact O-N 3.15Å; Q138-R141 PolarHBondContact O-N 2.86Å; Q138-W142 HydrophobicContact CG-CD2 4.47Å; Q138-W142 HydrophobicContact CG-CZ2 4.46Å; Q138-W142 VanDerWaalsContact NE2-CD1 3.27Å; Q138-W142 PolarHBondContact O-N 3.02Å
139	A	97.8	Very high	97.7	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-41	176.2	0	0	0	0	0	112	L118 G135 E136 R141 W142 K143 C144 F146	L118-A139 HydrophobicContact CB-CB 4.42Å; L118-A139 HydrophobicContact CD2-CB 4.08Å; G135-A139 WeakPolarHBondContact O-CB 3.3Å; G135-A139 PolarHBondContact O-N 2.99Å; E136-A139 PolarHBondContact O-N 2.97Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 PolarHBondContact O-N 2.86Å; A139-W142 CarbonylContact O-C 3.32Å; A139-W142 PolarHBondContact O-N 3.42Å; A139-W142 VanDerWaalsContact O-N 3.1Å; A139-K143 WeakPolarHBondContact O-CA 3.34Å; A139-K143 PolarHBondContact O-N 3.22Å; A139-C144 PolarHBondContact O-N 3.36Å; A139-F146 HydrophobicContact CB-CB 3.62Å; A139-F146 HydrophobicContact CB-CG 4.37Å
140	N	97	Very high	97.7	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-58.6	-45.5	172.8	-74.7	-31.7	0	0	0	111.6	E136 W142 K143	E136-N140 WeakPolarHBondContact O-CB 3.48Å; E136-N140 VanDerWaalsContact O-CG 3.27Å; E136-N140 PolarHBondContact O-N 2.99Å; E136-N140 PolarHBondContact O-ND2 2.52Å; N140-W142 VanDerWaalsContact C-N 3.27Å; N140-W142 PolarHBondContact O-N 2.84Å; N140-K143 PolarHBondContact O-N 2.99Å; N140-K143 VanDerWaalsContact O-N 3.12Å
141	R	96.1	Very high	97.8	Very high	172 Å²	172	55.1 Å²	55.1	65%	0.649	26%	0.263	S	S	*	.	H	α-helix	trans	-62.5	-33.6	175.1	-79.2	179.6	-89.2	-165.2	-5.1	112.8	D137 Q138 A139	D137-R141 WeakPolarHBondContact O-CB 3.23Å; D137-R141 VanDerWaalsContact O-CG 3.3Å; D137-R141 WeakPolarHBondContact O-CG 3.3Å; D137-R141 PolarHBondContact O-N 3.29Å; D137-R141 VanDerWaalsContact O-N 3.13Å; D137-R141 PolarHBondContact O-NE 2.88Å; Q138-R141 PolarHBondContact O-N 2.86Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-R141 PolarHBondContact O-N 2.86Å
142	W	95.6	Very high	97.7	Very high	24 Å²	24	54.7 Å²	54.7	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-89.1	-0.5	176.5	-72.7	1.1	0	0	0	113.5	L84 L97 K98 Y101 L118 Q138 A139 N140 C144	L84-W142 HydrophobicContact CD1-CE3 4.3Å; L84-W142 HydrophobicContact CD1-CZ3 3.9Å; L97-W142 HydrophobicContact CB-CH2 3.73Å; L97-W142 HydrophobicContact CB-CZ3 4.09Å; K98-W142 HydrophobicContact CB-CZ2 4.02Å; K98-W142 HydrophobicContact CG-CZ2 4.44Å; Y101-W142 AromaticContact CD1-CD1 3.91Å; Y101-W142 AromaticContact CD1-CD2 3.59Å; Y101-W142 HydrophobicContact CD1-CD2 3.59Å; Y101-W142 AromaticContact CD1-CE2 3.62Å; Y101-W142 HydrophobicContact CD1-CE3 4.1Å; Y101-W142 AromaticContact CD1-CG 3.82Å; Y101-W142 HydrophobicContact CD1-CG 3.82Å; Y101-W142 HydrophobicContact CD1-CZ2 4.2Å; Y101-W142 AromaticContact CD1-NE1 3.77Å; Y101-W142 HydrophobicContact CD2-CD2 4.01Å; Y101-W142 AromaticContact CD2-CE3 3.78Å; Y101-W142 HydrophobicContact CD2-CE3 3.78Å; Y101-W142 HydrophobicContact CD2-CG 4.36Å; Y101-W142 HydrophobicContact CD2-CZ3 4.36Å; Y101-W142 HydrophobicContact CE1-CB 3.94Å; Y101-W142 AromaticContact CE1-CD1 3.54Å; Y101-W142 AromaticContact CE1-CD2 3.81Å; Y101-W142 HydrophobicContact CE1-CD2 3.81Å; Y101-W142 AromaticContact CE1-CG 3.49Å; Y101-W142 HydrophobicContact CE1-CG 3.49Å; Y101-W142 VanDerWaalsContact CE1-CG 3.49Å; Y101-W142 AromaticContact CE1-NE1 3.86Å; Y101-W142 HydrophobicContact CE2-CB 3.88Å; Y101-W142 HydrophobicContact CE2-CD2 4.22Å; Y101-W142 HydrophobicContact CE2-CE3 4.27Å; Y101-W142 HydrophobicContact CE2-CG 4.09Å; Y101-W142 AromaticContact CG-CD2 3.7Å; Y101-W142 HydrophobicContact CG-CD2 3.7Å; Y101-W142 AromaticContact CG-CE3 3.7Å; Y101-W142 HydrophobicContact CG-CE3 3.7Å; Y101-W142 HydrophobicContact CG-CG 4.25Å; Y101-W142 HydrophobicContact CG-CH2 4.35Å; Y101-W142 HydrophobicContact CG-CZ2 4.34Å; Y101-W142 HydrophobicContact CG-CZ3 4.03Å; Y101-W142 AromaticContact CZ-CG 3.66Å; Y101-W142 PolarHBondContact OH-O 3.04Å; L118-W142 HydrophobicContact CD1-CZ3 4.25Å; Q138-W142 HydrophobicContact CG-CD2 4.47Å; Q138-W142 HydrophobicContact CG-CZ2 4.46Å; Q138-W142 VanDerWaalsContact NE2-CD1 3.27Å; Q138-W142 PolarHBondContact O-N 3.02Å; A139-W142 CarbonylContact O-C 3.32Å; A139-W142 PolarHBondContact O-N 3.42Å; A139-W142 VanDerWaalsContact O-N 3.1Å; N140-W142 VanDerWaalsContact C-N 3.27Å; N140-W142 PolarHBondContact O-N 2.84Å; W142-C144 PolarHBondContact O-N 3.04Å
143	K	94.3	Very high	97.7	Very high	147 Å²	147	56.9 Å²	56.9	64%	0.639	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.4	-174.7	-56.6	-179	170.9	-170.6	0	112.4	E112 A139 N140	E112-K143 IonicContact OE1-NZ 3.19Å; E112-K143 PolarHBondContact OE1-NZ 2.81Å; A139-K143 WeakPolarHBondContact O-CA 3.34Å; A139-K143 PolarHBondContact O-N 3.22Å; N140-K143 PolarHBondContact O-N 2.99Å; N140-K143 VanDerWaalsContact O-N 3.12Å
144	C	96.1	Very high	97.7	Very high	21 Å²	21	54 Å²	54	14%	0.142	26%	0.264	C	S	.	.			trans	-119.2	168.4	177.1	67.9	0	0	0	0	110.9	I116 A139 W142	I116-C144 HydrophobicContact CB-CB 3.91Å; I116-C144 HydrophobicContact CG2-CB 3.91Å; I116-C144 WeakPolarHBondContact O-CB 3.36Å; A139-C144 PolarHBondContact O-N 3.36Å; W142-C144 PolarHBondContact O-N 3.04Å
145	A	97.7	Very high	97.7	Very high	26 Å²	26	54.7 Å²	54.7	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	159.5	175.9	0	0	0	0	0	111	I116 M117 L118 L167	I116-A145 PolarHBondContact O-N 3.13Å; I116-A145 VanDerWaalsContact O-N 3.08Å; M117-A145 HydrophobicContact CE-CB 3.69Å; M117-A145 VanDerWaalsContact SD-C 3.52Å; M117-A145 HydrophobicContact SD-CB 3.46Å; M117-A145 WeakPolarHBondContact SD-CB 3.46Å; L118-A145 PolarHBondContact N-O 3.09Å; A145-L167 HydrophobicContact CB-CD1 3.67Å; A145-L167 HydrophobicContact CB-CD2 4.38Å
146	F	98.7	Very high	97.8	Very high	46 Å²	46	56.8 Å²	56.8	20%	0.202	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.8	179.2	176.8	-111.8	0	0	0	111.8	Y86 L118 T132 E136 A139 E148	Y86-F146 HydrophobicContact CE1-CE2 4.24Å; L118-F146 HydrophobicContact CB-CD2 4.28Å; L118-F146 HydrophobicContact CD2-CD2 4.15Å; L118-F146 HydrophobicContact CG-CD2 4.11Å; L118-F146 WeakPolarHBondContact O-CA 3.44Å; T132-F146 HydrophobicContact CG2-CE1 3.95Å; T132-F146 HydrophobicContact CG2-CZ 4.45Å; E136-F146 HydrophobicContact CB-CD1 4.41Å; E136-F146 HydrophobicContact CG-CD1 3.5Å; E136-F146 VanDerWaalsContact CG-CD1 3.5Å; E136-F146 HydrophobicContact CG-CE1 3.65Å; E136-F146 HydrophobicContact CG-CG 4.44Å; A139-F146 HydrophobicContact CB-CB 3.62Å; A139-F146 HydrophobicContact CB-CG 4.37Å; F146-E148 HydrophobicContact CE1-CG 3.96Å; F146-E148 HydrophobicContact CE2-CG 4.41Å; F146-E148 HydrophobicContact CZ-CG 3.52Å
147	M	98.8	Very high	97.8	Very high	28 Å²	28	52.5 Å²	52.5	14%	0.138	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	138.5	171.3	-169.6	173.6	-73.2	0	0	111.4	M117 L118 V119 G120 T149 N156 E159 L160 E163	M117-M147 HydrophobicContact SD-CB 4.04Å; L118-M147 PolarHBondContact O-N 2.69Å; V119-M147 VanDerWaalsContact CA-O 3.3Å; V119-M147 WeakPolarHBondContact CA-O 3.15Å; G120-M147 PolarHBondContact N-O 2.85Å; M147-T149 HydrophobicContact CG-CG2 4.15Å; M147-T149 HydrophobicContact SD-CG2 4.33Å; M147-N156 HydrophobicContact CG-CB 4.07Å; M147-N156 HydrophobicContact SD-CB 3.77Å; M147-E159 HydrophobicContact CE-CB 4.19Å; M147-E159 HydrophobicContact SD-CB 4.18Å; M147-L160 VanDerWaalsContact SD-CA 3.54Å; M147-L160 HydrophobicContact SD-CB 3.88Å; M147-L160 PolarHBondContact SD-N 3.06Å; M147-L160 VanDerWaalsContact SD-N 3.45Å; M147-E163 HydrophobicContact CE-CB 4.17Å; M147-E163 HydrophobicContact CE-CG 3.86Å
148	E	98.8	Very high	97.7	Very high	31 Å²	31	52.9 Å²	52.9	15%	0.145	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.3	165.3	-65.2	-162.5	134.7	0	0	111	G120 R128 T132 F146 N156	G120-E148 CarbonylContact O-C 3.53Å; G120-E148 VanDerWaalsContact O-CA 3.23Å; G120-E148 WeakPolarHBondContact O-CA 3.37Å; R128-E148 IonicContact CZ-OE1 3.96Å; R128-E148 IonicContact NH2-OE1 2.7Å; R128-E148 PolarHBondContact NH2-OE1 2.92Å; R128-E148 IonicContact NH2-OE2 3.35Å; R128-E148 PolarHBondContact NH2-OE2 3.26Å; T132-E148 HydrophobicContact CG2-CG 4.29Å; T132-E148 PolarHBondContact OG1-OE1 2.81Å; T132-E148 PolarHBondContact OG1-OE2 3.08Å; F146-E148 HydrophobicContact CE1-CG 3.96Å; F146-E148 HydrophobicContact CE2-CG 4.41Å; F146-E148 HydrophobicContact CZ-CG 3.52Å; E148-N156 VanDerWaalsContact O-CB 3.29Å; E148-N156 WeakPolarHBondContact O-CB 3.37Å; E148-N156 PolarHBondContact O-ND2 3.35Å
149	T	98.9	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.5	-174.3	60.1	0	0	0	0	111.6	V119 G120 N121 K122 S123 M147 H155 N156 L160	V119-T149 HydrophobicContact CG1-CG2 3.79Å; V119-T149 WeakPolarHBondContact CG1-OG1 3.49Å; G120-T149 PolarHBondContact O-N 3.26Å; N121-T149 CarbonylContact C-O 3.57Å; N121-T149 WeakPolarHBondContact CA-O 3.5Å; N121-T149 PolarHBondContact OD1-O 3.12Å; N121-T149 PolarHBondContact OD1-OG1 3.1Å; K122-T149 PolarHBondContact N-O 3.29Å; S123-T149 WeakPolarHBondContact CB-O 3.39Å; S123-T149 PolarHBondContact N-O 3.04Å; S123-T149 PolarHBondContact OG-O 3.15Å; M147-T149 HydrophobicContact CG-CG2 4.15Å; M147-T149 HydrophobicContact SD-CG2 4.33Å; T149-H155 WeakPolarHBondContact CA-O 3.29Å; T149-N156 HydrophobicContact CG2-CB 3.9Å; T149-L160 HydrophobicContact CG2-CB 4.28Å; T149-L160 HydrophobicContact CG2-CD2 4.24Å
150	S	98.6	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-133.2	109.2	163.4	172.8	0	0	0	0	109.8	D124 K152 T153 N154 H155	D124-S150 WeakPolarHBondContact OD1-CB 3.44Å; D124-S150 PolarHBondContact OD1-OG 3.41Å; S150-K152 PolarHBondContact O-N 3.17Å; S150-K152 PolarHBondContact OG-N 3.03Å; S150-T153 WeakPolarHBondContact CB-OG1 3.47Å; S150-T153 PolarHBondContact OG-N 3.19Å; S150-T153 PolarHBondContact OG-OG1 3.18Å; S150-N154 CarbonylContact O-C 3.42Å; S150-N154 VanDerWaalsContact O-CA 3.29Å; S150-N154 WeakPolarHBondContact O-CA 3.34Å; S150-N154 PolarHBondContact O-N 3.15Å; S150-H155 PolarHBondContact N-O 3.04Å; S150-H155 PolarHBondContact O-N 3Å; S150-H155 VanDerWaalsContact O-N 3.07Å
151	A	98.4	Very high	97.8	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30	169.2	0	0	0	0	0	112.4	L23 R26 F32 N121	L23-A151 HydrophobicContact CD2-CB 3.98Å; L23-A151 HydrophobicContact CG-CB 4.18Å; R26-A151 PolarHBondContact NE-O 3.38Å; R26-A151 PolarHBondContact NH2-O 2.88Å; F32-A151 HydrophobicContact CD2-CB 4.19Å; F32-A151 WeakPolarHBondContact CD2-O 3.42Å; F32-A151 HydrophobicContact CE2-CB 4.29Å; N121-A151 PolarHBondContact OD1-N 2.73Å
152	K	97.8	Very high	97.9	Very high	93 Å²	93	43.3 Å²	43.3	40%	0.404	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-54.5	-179	-172	-174	-164.7	173.6	0	110.9	R26 F32 D124 S150 N154	R26-K152 PolarHBondContact NH2-O 3.46Å; F32-K152 HydrophobicContact CD1-CG 4.35Å; F32-K152 HydrophobicContact CD2-CB 4.5Å; F32-K152 HydrophobicContact CE1-CB 4.09Å; F32-K152 HydrophobicContact CE1-CG 3.73Å; F32-K152 HydrophobicContact CE2-CB 3.95Å; F32-K152 HydrophobicContact CE2-CG 4.48Å; F32-K152 HydrophobicContact CZ-CB 3.73Å; F32-K152 HydrophobicContact CZ-CG 3.81Å; D124-K152 WeakPolarHBondContact OD2-CD 3.37Å; D124-K152 IonicContact OD2-NZ 3.83Å; S150-K152 PolarHBondContact O-N 3.17Å; S150-K152 PolarHBondContact OG-N 3.03Å; K152-N154 VanDerWaalsContact C-N 3.33Å
153	T	97.9	Very high	98	Very high	86 Å²	86	46.4 Å²	46.4	53%	0.528	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.4	-177.5	66.5	0	0	0	0	113.5	D124 S150 H155	D124-T153 HydrophobicContact CB-CG2 3.79Å; S150-T153 WeakPolarHBondContact CB-OG1 3.47Å; S150-T153 PolarHBondContact OG-N 3.19Å; S150-T153 PolarHBondContact OG-OG1 3.18Å; T153-H155 PolarHBondContact O-N 2.81Å; T153-H155 WeakPolarHBondContact OG1-CB 3.39Å
154	N	98.1	Very high	98.2	Very high	75 Å²	75	39.5 Å²	39.5	40%	0.401	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	23.9	-172.8	-163.9	48.7	0	0	0	113.5	R26 S150 K152	R26-N154 VanDerWaalsContact CD-OD1 3.28Å; R26-N154 WeakPolarHBondContact CD-OD1 3.22Å; R26-N154 HydrophobicContact CG-CB 4.37Å; R26-N154 WeakPolarHBondContact CG-OD1 3.41Å; S150-N154 CarbonylContact O-C 3.42Å; S150-N154 VanDerWaalsContact O-CA 3.29Å; S150-N154 WeakPolarHBondContact O-CA 3.34Å; S150-N154 PolarHBondContact O-N 3.15Å; K152-N154 VanDerWaalsContact C-N 3.33Å
155	H	98.6	Very high	98.2	Very high	89 Å²	89	38.6 Å²	38.6	41%	0.412	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-75.3	126.1	176.5	179.1	-105.2	0	0	0	110.8	T149 S150 T153 V157	T149-H155 WeakPolarHBondContact CA-O 3.29Å; S150-H155 PolarHBondContact N-O 3.04Å; S150-H155 PolarHBondContact O-N 3Å; S150-H155 VanDerWaalsContact O-N 3.07Å; T153-H155 PolarHBondContact O-N 2.81Å; T153-H155 WeakPolarHBondContact OG1-CB 3.39Å; H155-V157 PolarHBondContact O-N 2.78Å; H155-V157 VanDerWaalsContact O-N 3.13Å
156	N	98.6	Very high	98.1	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	16.3	177.9	-74.6	-15.5	0	0	0	115.8	M147 E148 T149 E159 L160	M147-N156 HydrophobicContact CG-CB 4.07Å; M147-N156 HydrophobicContact SD-CB 3.77Å; E148-N156 VanDerWaalsContact O-CB 3.29Å; E148-N156 WeakPolarHBondContact O-CB 3.37Å; E148-N156 PolarHBondContact O-ND2 3.35Å; T149-N156 HydrophobicContact CG2-CB 3.9Å; N156-E159 VanDerWaalsContact C-OE2 3.25Å; N156-E159 WeakPolarHBondContact CA-OE2 3.38Å; N156-L160 VanDerWaalsContact O-CB 3.23Å; N156-L160 WeakPolarHBondContact O-CB 3.5Å; N156-L160 PolarHBondContact O-N 3.05Å
157	V	98.5	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-73.3	-45.3	-176.4	179.1	0	0	0	0	111.3	L23 R26 F27 H155 E159 F161	L23-V157 HydrophobicContact CD2-CG2 4Å; R26-V157 HydrophobicContact CB-CG1 4.15Å; R26-V157 HydrophobicContact CG-CB 4.24Å; R26-V157 HydrophobicContact CG-CG1 3.87Å; R26-V157 HydrophobicContact CG-CG2 4.01Å; F27-V157 HydrophobicContact CB-CG1 3.85Å; H155-V157 PolarHBondContact O-N 2.78Å; H155-V157 VanDerWaalsContact O-N 3.13Å; V157-E159 PolarHBondContact N-OE2 2.94Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.47Å
158	T	97.7	Very high	97.7	Very high	66 Å²	66	40.6 Å²	40.6	41%	0.405	21%	0.207	S	C	.	.	H	α-helix	trans	-72.4	-40	178.8	-57.8	0	0	0	0	110.7	L160 F161 Q162 L175	T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.4Å; T158-F161 PolarHBondContact O-N 2.85Å; T158-Q162 PolarHBondContact O-N 2.7Å; T158-L175 HydrophobicContact CG2-CD1 3.66Å
159	E	98.5	Very high	97.2	Very high	92 Å²	92	47.6 Å²	47.6	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-42.4	178.2	-64.4	76.5	-173.2	0	0	110.7	M147 N156 V157 F161 Q162 E163	M147-E159 HydrophobicContact CE-CB 4.19Å; M147-E159 HydrophobicContact SD-CB 4.18Å; N156-E159 VanDerWaalsContact C-OE2 3.25Å; N156-E159 WeakPolarHBondContact CA-OE2 3.38Å; V157-E159 PolarHBondContact N-OE2 2.94Å; E159-F161 PolarHBondContact O-N 3.37Å; E159-Q162 PolarHBondContact O-N 2.9Å; E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 WeakPolarHBondContact O-CG 3.47Å; E159-E163 PolarHBondContact O-N 3.33Å
160	L	98.7	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.7	-53	174	165.5	59.5	0	0	0	112.2	L23 I83 M117 V119 M147 T149 N156 T158 L164	L23-L160 HydrophobicContact CD1-CD2 4.33Å; I83-L160 HydrophobicContact CD1-CD1 4.31Å; I83-L160 HydrophobicContact CD1-CD2 4.31Å; I83-L160 HydrophobicContact CD1-CG 4.27Å; I83-L160 HydrophobicContact CG2-CD1 4.43Å; I83-L160 HydrophobicContact CG2-CD2 4.47Å; M117-L160 HydrophobicContact CB-CD1 4.22Å; M117-L160 HydrophobicContact CG-CD1 3.5Å; M117-L160 VanDerWaalsContact CG-CD1 3.5Å; V119-L160 HydrophobicContact CG1-CD2 4.34Å; V119-L160 HydrophobicContact CG2-CD1 3.44Å; V119-L160 VanDerWaalsContact CG2-CD1 3.44Å; V119-L160 HydrophobicContact CG2-CD2 4.07Å; V119-L160 HydrophobicContact CG2-CG 4.42Å; M147-L160 VanDerWaalsContact SD-CA 3.54Å; M147-L160 HydrophobicContact SD-CB 3.88Å; M147-L160 PolarHBondContact SD-N 3.06Å; M147-L160 VanDerWaalsContact SD-N 3.45Å; T149-L160 HydrophobicContact CG2-CB 4.28Å; T149-L160 HydrophobicContact CG2-CD2 4.24Å; N156-L160 VanDerWaalsContact O-CB 3.23Å; N156-L160 WeakPolarHBondContact O-CB 3.5Å; N156-L160 PolarHBondContact O-N 3.05Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.4Å; L160-L164 WeakPolarHBondContact O-CB 3.45Å; L160-L164 PolarHBondContact O-N 2.97Å
161	F	98.2	Very high	96.2	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-38.3	-177.3	-70.1	-85.6	0	0	0	111.6	F27 I59 I83 V157 T158 E159 L165 L175	F27-F161 HydrophobicContact CB-CD2 3.79Å; F27-F161 HydrophobicContact CB-CE2 3.42Å; F27-F161 VanDerWaalsContact CB-CE2 3.42Å; F27-F161 HydrophobicContact CB-CZ 4.13Å; F27-F161 HydrophobicContact CD1-CD1 4.11Å; F27-F161 AromaticContact CD1-CD2 3.7Å; F27-F161 HydrophobicContact CD1-CD2 3.7Å; F27-F161 HydrophobicContact CD1-CE1 4.15Å; F27-F161 AromaticContact CD1-CE2 3.77Å; F27-F161 HydrophobicContact CD1-CE2 3.77Å; F27-F161 AromaticContact CD1-CG 3.9Å; F27-F161 HydrophobicContact CD1-CG 3.9Å; F27-F161 AromaticContact CD1-CZ 3.99Å; F27-F161 HydrophobicContact CD1-CZ 3.99Å; F27-F161 HydrophobicContact CD2-CB 4.17Å; F27-F161 AromaticContact CD2-CD2 3.34Å; F27-F161 HydrophobicContact CD2-CD2 3.34Å; F27-F161 AromaticContact CD2-CE2 3.94Å; F27-F161 HydrophobicContact CD2-CE2 3.94Å; F27-F161 AromaticContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CD2-CG 3.9Å; F27-F161 HydrophobicContact CE1-CB 4.24Å; F27-F161 HydrophobicContact CE1-CD1 4.06Å; F27-F161 HydrophobicContact CE1-CD2 4.12Å; F27-F161 HydrophobicContact CE1-CE1 4.48Å; F27-F161 AromaticContact CE1-CG 3.87Å; F27-F161 HydrophobicContact CE1-CG 3.87Å; F27-F161 HydrophobicContact CE2-CB 3.69Å; F27-F161 AromaticContact CE2-CD2 3.77Å; F27-F161 HydrophobicContact CE2-CD2 3.77Å; F27-F161 AromaticContact CE2-CG 3.86Å; F27-F161 HydrophobicContact CE2-CG 3.86Å; F27-F161 AromaticContact CG-CD2 3.29Å; F27-F161 HydrophobicContact CG-CD2 3.29Å; F27-F161 AromaticContact CG-CE2 3.41Å; F27-F161 HydrophobicContact CG-CE2 3.41Å; F27-F161 VanDerWaalsContact CG-CE2 3.41Å; F27-F161 AromaticContact CG-CG 3.92Å; F27-F161 HydrophobicContact CG-CG 3.92Å; F27-F161 HydrophobicContact CG-CZ 4.09Å; F27-F161 HydrophobicContact CZ-CB 3.73Å; F27-F161 HydrophobicContact CZ-CD1 4.41Å; F27-F161 HydrophobicContact CZ-CD2 4.14Å; F27-F161 AromaticContact CZ-CG 3.84Å; F27-F161 HydrophobicContact CZ-CG 3.84Å; I59-F161 HydrophobicContact CD1-CD1 3.94Å; I59-F161 HydrophobicContact CD1-CE1 3.6Å; I59-F161 HydrophobicContact CD1-CZ 4.29Å; I59-F161 HydrophobicContact CG1-CE1 4.17Å; I59-F161 HydrophobicContact CG2-CE1 4.09Å; I83-F161 HydrophobicContact CD1-CD1 4.11Å; I83-F161 HydrophobicContact CD1-CE1 3.67Å; I83-F161 HydrophobicContact CD1-CZ 4.1Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.47Å; T158-F161 PolarHBondContact O-N 2.85Å; E159-F161 PolarHBondContact O-N 3.37Å; F161-L165 VanDerWaalsContact O-CG 3.25Å; F161-L165 WeakPolarHBondContact O-CG 3.27Å; F161-L165 PolarHBondContact O-N 3.27Å; F161-L165 VanDerWaalsContact O-N 3.12Å; F161-L175 HydrophobicContact CB-CD1 4.37Å
162	Q	97.8	Very high	95.8	Very high	35 Å²	35	64.2 Å²	64.2	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-44.2	176.9	-176.3	58	72	0	0	111.9	T158 E159 L165 N166 M173 S174 L175	T158-Q162 PolarHBondContact O-N 2.7Å; E159-Q162 PolarHBondContact O-N 2.9Å; Q162-L165 PolarHBondContact O-N 2.87Å; Q162-N166 PolarHBondContact NE2-OD1 3.38Å; Q162-N166 PolarHBondContact O-N 3.22Å; Q162-N166 PolarHBondContact O-ND2 3.21Å; Q162-N166 PolarHBondContact O-OD1 2.98Å; Q162-M173 PolarHBondContact NE2-O 2.9Å; Q162-S174 PolarHBondContact OE1-OG 3.47Å; Q162-S174 VanDerWaalsContact OE1-OG 3.05Å; Q162-L175 HydrophobicContact CB-CD1 3.95Å; Q162-L175 HydrophobicContact CB-CG 4.29Å
163	E	97.9	Very high	95.6	Very high	89 Å²	89	59.9 Å²	59.9	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-39.4	178.4	-71.7	-54.1	149.7	0	0	111.9	M117 M147 E159 L165 N166 L167	M117-E163 HydrophobicContact CE-CB 3.9Å; M147-E163 HydrophobicContact CE-CB 4.17Å; M147-E163 HydrophobicContact CE-CG 3.86Å; E159-E163 WeakPolarHBondContact O-CB 3.42Å; E159-E163 WeakPolarHBondContact O-CG 3.47Å; E159-E163 PolarHBondContact O-N 3.33Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.4Å; E163-N166 WeakPolarHBondContact O-CB 3.47Å; E163-N166 PolarHBondContact O-N 2.82Å; E163-N166 VanDerWaalsContact O-N 3.11Å; E163-N166 PolarHBondContact OE2-ND2 3.1Å; E163-L167 WeakPolarHBondContact O-CG 3.42Å; E163-L167 PolarHBondContact O-N 3.45Å; E163-L167 VanDerWaalsContact O-N 3.13Å
164	L	97.9	Very high	95.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-40.8	173.5	-175.1	74.3	0	0	0	111.9	V10 A81 I83 P115 M117 L160 L167	V10-L164 HydrophobicContact CB-CD2 4.44Å; V10-L164 HydrophobicContact CG1-CD2 3.67Å; V10-L164 HydrophobicContact CG2-CD2 3.86Å; A81-L164 HydrophobicContact CB-CD1 4.22Å; A81-L164 HydrophobicContact CB-CD2 3.98Å; A81-L164 HydrophobicContact CB-CG 4.05Å; I83-L164 HydrophobicContact CD1-CD2 3.85Å; I83-L164 HydrophobicContact CG1-CD2 3.55Å; P115-L164 HydrophobicContact CB-CD1 4.08Å; M117-L164 HydrophobicContact CB-CD1 3.81Å; L160-L164 WeakPolarHBondContact O-CB 3.45Å; L160-L164 PolarHBondContact O-N 2.97Å; L164-L167 HydrophobicContact CD1-CD1 4.41Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.12Å
165	L	96.4	Very high	95.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-39.6	175.3	-68	173.3	0	0	0	111.8	Y8 I48 L57 F161 Q162 E163 L167 D168 M173 L175	Y8-L165 HydrophobicContact CD1-CD2 3.54Å; Y8-L165 HydrophobicContact CE1-CD2 3.66Å; Y8-L165 HydrophobicContact CG-CD2 4.39Å; I48-L165 HydrophobicContact CD1-CD1 3.94Å; I48-L165 HydrophobicContact CD1-CD2 4.05Å; L57-L165 HydrophobicContact CD1-CD2 4.24Å; F161-L165 VanDerWaalsContact O-CG 3.25Å; F161-L165 WeakPolarHBondContact O-CG 3.27Å; F161-L165 PolarHBondContact O-N 3.27Å; F161-L165 VanDerWaalsContact O-N 3.12Å; Q162-L165 PolarHBondContact O-N 2.87Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.4Å; L165-L167 PolarHBondContact O-N 3.22Å; L165-D168 PolarHBondContact O-N 3.31Å; L165-D168 VanDerWaalsContact O-N 3.15Å; L165-M173 HydrophobicContact CB-CB 4.05Å; L165-M173 HydrophobicContact CB-CE 4.41Å; L165-M173 HydrophobicContact CD1-CB 4.39Å; L165-M173 HydrophobicContact CD2-CB 4.21Å; L165-M173 HydrophobicContact CD2-CE 3.88Å; L165-M173 HydrophobicContact CD2-SD 3.97Å; L165-M173 HydrophobicContact CG-CB 4.44Å; L165-L175 HydrophobicContact CD1-CD2 3.66Å; L165-L175 HydrophobicContact CD1-CG 4.24Å
166	N	95.5	Very high	94.6	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-22.3	178.9	-65.2	-17.2	0	0	0	113.7	Q162 E163 D168 K169	Q162-N166 PolarHBondContact NE2-OD1 3.38Å; Q162-N166 PolarHBondContact O-N 3.22Å; Q162-N166 PolarHBondContact O-ND2 3.21Å; Q162-N166 PolarHBondContact O-OD1 2.98Å; E163-N166 WeakPolarHBondContact O-CB 3.47Å; E163-N166 PolarHBondContact O-N 2.82Å; E163-N166 VanDerWaalsContact O-N 3.11Å; E163-N166 PolarHBondContact OE2-ND2 3.1Å; N166-D168 VanDerWaalsContact C-N 3.27Å; N166-K169 PolarHBondContact O-NZ 3.12Å
167	L	95.1	Very high	93.6	Very high	63 Å²	63	58.2 Å²	58.2	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-69.5	-25.6	174.9	-68.4	174.6	0	0	0	112	P115 M117 A145 E163 L164 L165 K169	P115-L167 HydrophobicContact CB-CB 3.83Å; P115-L167 HydrophobicContact CG-CB 4.2Å; M117-L167 HydrophobicContact CE-CD1 4.44Å; A145-L167 HydrophobicContact CB-CD1 3.67Å; A145-L167 HydrophobicContact CB-CD2 4.38Å; E163-L167 WeakPolarHBondContact O-CG 3.42Å; E163-L167 PolarHBondContact O-N 3.45Å; E163-L167 VanDerWaalsContact O-N 3.13Å; L164-L167 HydrophobicContact CD1-CD1 4.41Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.12Å; L165-L167 PolarHBondContact O-N 3.22Å; L167-K169 PolarHBondContact O-N 2.81Å
168	D	92.7	Very high	91.6	Very high	20 Å²	20	65.2 Å²	65.2	11%	0.107	32%	0.324	C	S	.	.			trans	-74.4	111.6	175.9	-159.4	-42.3	0	0	0	110.7	Y8 P115 L165 N166 K170 M173	Y8-D168 HydrophobicContact CE2-CB 4.49Å; Y8-D168 WeakPolarHBondContact CE2-OD2 3.26Å; Y8-D168 WeakPolarHBondContact OH-CB 3.23Å; Y8-D168 PolarHBondContact OH-OD2 3.13Å; P115-D168 HydrophobicContact CG-CB 3.84Å; L165-D168 PolarHBondContact O-N 3.31Å; L165-D168 VanDerWaalsContact O-N 3.15Å; N166-D168 VanDerWaalsContact C-N 3.27Å; D168-K170 VanDerWaalsContact C-N 3.31Å; D168-K170 VanDerWaalsContact OD1-CB 3.31Å; D168-K170 WeakPolarHBondContact OD1-CB 3.32Å; D168-K170 PolarHBondContact OD1-N 3.06Å; D168-M173 HydrophobicContact CB-CE 3.63Å
169	K	89.4	Confident	89.2	Confident	178 Å²	178	65.5 Å²	65.5	77%	0.774	34%	0.34	S	S	*	.	S	Bend	trans	-85.3	-4.7	-179.3	-54.5	-51.4	178.1	-166.2	0	113.6	N166 L167	N166-K169 PolarHBondContact O-NZ 3.12Å; L167-K169 PolarHBondContact O-N 2.81Å
170	K	88.2	Confident	86.4	Confident	163 Å²	163	70.7 Å²	70.7	71%	0.709	36%	0.361	S	S	*	.	S	Bend	trans	-91.2	-23.6	-177.8	-56.5	174.4	-174.3	166.8	0	112.3	D168	D168-K170 VanDerWaalsContact C-N 3.31Å; D168-K170 VanDerWaalsContact OD1-CB 3.31Å; D168-K170 WeakPolarHBondContact OD1-CB 3.32Å; D168-K170 PolarHBondContact OD1-N 3.06Å
171	R	88.5	Confident	83.6	Confident	65 Å²	65	82.3 Å²	82.3	25%	0.245	41%	0.405	C	S	.	.	S	Bend	trans	-134.7	131	-177.2	-58.7	-177	-171.2	-177.3	4.5	109.6	N6 D7 M173	N6-R171 PolarHBondContact O-NH1 3.12Å; D7-R171 PolarHBondContact O-NH1 3.35Å; R171-M173 HydrophobicContact CB-CE 3.94Å; R171-M173 HydrophobicContact CB-CG 3.93Å; R171-M173 HydrophobicContact CB-SD 3.96Å; R171-M173 PolarHBondContact O-N 3.25Å
172	N	90.6	Very high	80.8	Confident	123 Å²	123	87.7 Å²	87.7	66%	0.658	44%	0.443	S	S	*	.			trans	-85.3	105.7	171.2	-173.5	-4	0	0	0	109.2	C50 D51	C50-N172 CarbonylContact C-O 3.53Å; C50-N172 VanDerWaalsContact CA-O 3.3Å; C50-N172 WeakPolarHBondContact CA-O 3.41Å; D51-N172 PolarHBondContact N-O 3.38Å; D51-N172 WeakPolarHBondContact OD1-CB 3.35Å; D51-N172 PolarHBondContact OD1-N 2.81Å
173	M	93.5	Very high	77.7	Confident	3 Å²	3	89 Å²	89	2%	0.015	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.6	-172.8	-69.1	173.8	-61.2	0	0	112.4	Y8 I48 S49 C50 Q162 L165 D168 R171	Y8-M173 HydrophobicContact CD1-CE 4.25Å; Y8-M173 HydrophobicContact CD1-SD 4.08Å; Y8-M173 HydrophobicContact CD2-CE 3.83Å; Y8-M173 HydrophobicContact CD2-SD 3.49Å; Y8-M173 WeakPolarHBondContact CD2-SD 3.3Å; Y8-M173 HydrophobicContact CE1-CE 3.98Å; Y8-M173 HydrophobicContact CE1-SD 4.41Å; Y8-M173 HydrophobicContact CE2-CE 3.53Å; Y8-M173 HydrophobicContact CE2-SD 3.88Å; Y8-M173 HydrophobicContact CG-CE 4.17Å; Y8-M173 HydrophobicContact CG-SD 3.59Å; Y8-M173 VanDerWaalsContact CG-SD 3.59Å; I48-M173 HydrophobicContact CD1-CB 4.28Å; I48-M173 HydrophobicContact CD1-CG 4.39Å; I48-M173 HydrophobicContact CD1-SD 4.36Å; S49-M173 VanDerWaalsContact O-CA 3.26Å; S49-M173 WeakPolarHBondContact O-CA 3.37Å; C50-M173 HydrophobicContact CB-CG 4.16Å; Q162-M173 PolarHBondContact NE2-O 2.9Å; L165-M173 HydrophobicContact CB-CB 4.05Å; L165-M173 HydrophobicContact CB-CE 4.41Å; L165-M173 HydrophobicContact CD1-CB 4.39Å; L165-M173 HydrophobicContact CD2-CB 4.21Å; L165-M173 HydrophobicContact CD2-CE 3.88Å; L165-M173 HydrophobicContact CD2-SD 3.97Å; L165-M173 HydrophobicContact CG-CB 4.44Å; D168-M173 HydrophobicContact CB-CE 3.63Å; R171-M173 HydrophobicContact CB-CE 3.94Å; R171-M173 HydrophobicContact CB-CG 3.93Å; R171-M173 HydrophobicContact CB-SD 3.96Å; R171-M173 PolarHBondContact O-N 3.25Å
174	S	93.4	Very high	75	Confident	33 Å²	33	94.4 Å²	94.4	23%	0.231	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.1	172.5	-178.4	0	0	0	0	111.9	I48 S49 Q162 N176	I48-S174 WeakPolarHBondContact CB-O 3.48Å; S49-S174 PolarHBondContact N-O 2.87Å; S49-S174 PolarHBondContact O-N 2.89Å; Q162-S174 PolarHBondContact OE1-OG 3.47Å; Q162-S174 VanDerWaalsContact OE1-OG 3.05Å; S174-N176 PolarHBondContact O-N 3.18Å; S174-N176 PolarHBondContact OG-N 3.18Å
175	L	92.1	Very high	72.3	Confident	27 Å²	27	101.7 Å²	101.7	14%	0.141	52%	0.522	C	S	.	.	S	Bend	trans	-63	-23.5	172.8	-59.6	-177.6	0	0	0	112.7	F27 I48 L57 T158 F161 Q162 L165	F27-L175 HydrophobicContact CE2-CD1 3.63Å; F27-L175 HydrophobicContact CE2-CD2 4.2Å; F27-L175 HydrophobicContact CZ-CD1 3.99Å; F27-L175 HydrophobicContact CZ-CD2 3.65Å; F27-L175 HydrophobicContact CZ-CG 4.46Å; I48-L175 HydrophobicContact CG2-CD2 3.93Å; L57-L175 HydrophobicContact CD2-CD2 4.29Å; T158-L175 HydrophobicContact CG2-CD1 3.66Å; F161-L175 HydrophobicContact CB-CD1 4.37Å; Q162-L175 HydrophobicContact CB-CD1 3.95Å; Q162-L175 HydrophobicContact CB-CG 4.29Å; L165-L175 HydrophobicContact CD1-CD2 3.66Å; L165-L175 HydrophobicContact CD1-CG 4.24Å
176	N	86.3	Confident	69.9	Low	116 Å²	116	107.2 Å²	107.2	62%	0.62	56%	0.561	S	S	*	*	S	Bend	trans	-83.2	116.4	174.5	-69.1	-41.5	0	0	0	109.9	S49 S174 D178	S49-N176 WeakPolarHBondContact CB-O 3.49Å; S174-N176 PolarHBondContact O-N 3.18Å; S174-N176 PolarHBondContact OG-N 3.18Å; N176-D178 PolarHBondContact O-N 3.39Å
177	I	78.5	Confident	67.1	Low	84 Å²	84	114 Å²	114	43%	0.431	58%	0.582	S	S	.	*			trans	-74.7	109.1	163.3	-54.9	170.7	0	0	0	105.7	V47 V54 G179	V47-I177 HydrophobicContact CB-CD1 4.01Å; V47-I177 HydrophobicContact CG1-CD1 3.66Å; V54-I177 HydrophobicContact CG1-CG2 4.03Å; I177-G179 PolarHBondContact O-N 2.99Å
178	D	56.8	Low	64.6	Low	147 Å²	147	115 Å²	115	79%	0.786	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.9	108.4	176.7	-81.5	-44.8	0	0	0	109.5	N176	N176-D178 PolarHBondContact O-N 3.39Å
179	G	47.8	Very low	62.2	Low	71 Å²	71	123.4 Å²	123.4	73%	0.732	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.2	-18.9	-170.4	0	0	0	0	0	116.7	I177 R181	I177-G179 PolarHBondContact O-N 2.99Å; G179-R181 PolarHBondContact O-N 3.15Å
180	K	39.3	Very low	60	Low	202 Å²	202	126.4 Å²	126.4	88%	0.878	64%	0.644	S	S	*	*			trans	-86.6	96.5	163.2	-84.6	-173.4	179	176.9	0	109.8	S182	K180-S182 PolarHBondContact O-N 2.95Å
181	R	39.6	Very low	58.1	Low	243 Å²	243	126.9 Å²	126.9	92%	0.917	65%	0.654	S	S	*	*			trans	-41.9	101.7	155.9	-74.7	175.8	171.8	172.7	-2.5	109	G179 G183	G179-R181 PolarHBondContact O-N 3.15Å; R181-G183 PolarHBondContact O-N 3.32Å
182	S	38.4	Very low	55.8	Low	117 Å²	117	133.6 Å²	133.6	82%	0.818	69%	0.685	S	S	*	*			trans	-72.3	71	150.7	49.9	0	0	0	0	106.8	K180 K184	K180-S182 PolarHBondContact O-N 2.95Å; S182-K184 VanDerWaalsContact C-N 3.27Å; S182-K184 PolarHBondContact O-N 3.48Å
183	G	34.5	Very low	53.3	Low	63 Å²	63	131.1 Å²	131.1	65%	0.649	69%	0.688	S	S	*	*			trans	-63.1	95.4	166	0	0	0	0	0	107.7	R181 Q185	R181-G183 PolarHBondContact O-N 3.32Å; G183-Q185 PolarHBondContact O-N 2.84Å
184	K	40.2	Very low	51	Low	202 Å²	202	140.9 Å²	140.9	88%	0.878	73%	0.73	S	S	*	*			trans	-54.3	91	151	-84.3	177.3	168.1	173.9	0	107	S182 S186	S182-K184 VanDerWaalsContact C-N 3.27Å; S182-K184 PolarHBondContact O-N 3.48Å; K184-S186 VanDerWaalsContact C-N 3.31Å; K184-S186 PolarHBondContact O-N 2.95Å
185	Q	42.4	Very low	48.2	Very low	154 Å²	154	146.1 Å²	146.1	72%	0.72	77%	0.765	S	S	*	*			trans	-88.2	84.6	151.7	-85.5	-169.2	-5.7	0	0	107.3	G183 R187	G183-Q185 PolarHBondContact O-N 2.84Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.02Å
186	S	44.9	Very low	45.6	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	79%	0.791	S	S	*	*			trans	-58.5	98.5	145.4	55.5	0	0	0	0	107.1	K184	K184-S186 VanDerWaalsContact C-N 3.31Å; K184-S186 PolarHBondContact O-N 2.95Å
187	R	36	Very low	43.4	Very low	204 Å²	204	150.3 Å²	150.3	77%	0.77	80%	0.8	S	S	*	*			trans	-122.6	92.3	173.8	-143.7	174.9	-177.9	167.7	-1.9	109.2	Q185	Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.02Å
188	A	43.1	Very low	41.3	Very low	83 Å²	83	158.4 Å²	158.4	69%	0.686	84%	0.84	S	S	*	*			trans	58.2	88.1	143.5	0	0	0	0	0	119.1
189	E	41.9	Very low	40.5	Very low	197 Å²	197	159 Å²	159	92%	0.921	84%	0.842	S	S	*	*			trans	-116.6	68.8	138	-80	-171.5	152.3	0	0	109.3
190	R	43.1	Very low	40.1	Very low	241 Å²	241	163.6 Å²	163.6	91%	0.909	85%	0.848	S	S	*	*			trans	-113.5	65.7	154.9	-107.9	-174.4	172.6	-176.3	-1.8	107.1
191	L	48.3	Very low	40.2	Very low	173 Å²	173	161.5 Å²	161.5	91%	0.906	85%	0.846	S	S	*	*			trans	-100.4	75.9	162.2	-86.6	151.1	0	0	0	107.7
192	K	40.9	Very low	40.2	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	84%	0.842	S	S	*	*			trans	-116.6	116.4	155.2	-93.3	-170.3	177	-177.6	0	108
193	G	39.2	Very low	40.3	Very low	71 Å²	71	159.2 Å²	159.2	73%	0.732	84%	0.844	S	S	*	*			trans	88.7	98.1	152.7	0	0	0	0	0	115.7
194	K	43.3	Very low	40.7	Very low	207 Å²	207	165.6 Å²	165.6	90%	0.9	86%	0.857	S	S	*	*				178	92.2	127.9	-96	166.6	-176	-172	0	109.2
195	C	35.2	Very low	40.8	Very low	143 Å²	143	163 Å²	163	97%	0.966	86%	0.855	S	S	*	*			trans	-126	106.9	149.4	-143.8	0	0	0	0	106
196	S	38.3	Very low	40.6	Very low	97 Å²	97	163.7 Å²	163.7	68%	0.678	87%	0.865	S	S	*	*			trans	-134	118	174.3	62	0	0	0	0	107.5
197	V	39.8	Very low	40.3	Very low	135 Å²	135	167.6 Å²	167.6	82%	0.818	87%	0.869	S	S	*	*			trans	70.9	106.3	153.6	-162.1	0	0	0	0	117.8
198	M	34.3	Very low	40.7	Very low	254 Å²	254	164.3 Å²	164.3	100%	1.251	88%	0.878	S	S	*	*				-154.3	0	94.1	-98.3	-172	-73.4	0	0	110.1

Retrieved 198 of 198 residues in 53.9 ms (Link to these results)

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