A0A077ZA15_TRITR Loading...

Dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZA15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 406 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.4	Very low	35.9	Very low	173 Å²	173	83.1 Å²	83.1	85%	0.852	48%	0.481	S	S	*	.				0	113.7	0	-93.9	-163	-77.9	0	0	107.9	S3 K14	M1-S3 PolarHBondContact O-N 2.93Å; M1-K14 PolarHBondContact SD-NZ 2.98Å
2	I	33.6	Very low	35.6	Very low	33 Å²	33	81.3 Å²	81.3	17%	0.169	49%	0.493	C	S	.	.			trans	-66.8	124.8	-175.2	-56.4	178.2	0	0	0	110.8	I4 K14 F121 E124 W125	I2-I4 HydrophobicContact CG2-CD1 4.31Å; I2-I4 HydrophobicContact CG2-CG1 4.14Å; I2-K14 WeakPolarHBondContact O-CD 3.37Å; I2-K14 WeakPolarHBondContact O-CG 3.43Å; I2-F121 HydrophobicContact CB-CE2 4.06Å; I2-F121 HydrophobicContact CD1-CD2 4.42Å; I2-F121 HydrophobicContact CD1-CE2 4.44Å; I2-F121 HydrophobicContact CG1-CD2 3.76Å; I2-F121 HydrophobicContact CG1-CE2 3.73Å; I2-F121 HydrophobicContact CG2-CE2 3.79Å; I2-F121 HydrophobicContact CG2-CZ 4.36Å; I2-E124 HydrophobicContact CD1-CB 3.87Å; I2-W125 HydrophobicContact CD1-CB 4.04Å
3	S	39.3	Very low	35.6	Very low	37 Å²	37	90.8 Å²	90.8	26%	0.259	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.6	174	170.5	0	0	0	0	109.3	M1 N58	M1-S3 PolarHBondContact O-N 2.93Å; S3-N58 PolarHBondContact O-N 2.87Å
4	I	42.4	Very low	35.8	Very low	14 Å²	14	92.9 Å²	92.9	7%	0.072	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.5	-177.1	-69.9	-172.1	0	0	0	108	I2 R13 M15 C55 H56 L57	I2-I4 HydrophobicContact CG2-CD1 4.31Å; I2-I4 HydrophobicContact CG2-CG1 4.14Å; I4-R13 VanDerWaalsContact O-O 3.12Å; I4-M15 HydrophobicContact CB-CB 4.41Å; I4-M15 WeakPolarHBondContact CB-O 3.49Å; I4-M15 WeakPolarHBondContact CD1-O 3.36Å; I4-M15 WeakPolarHBondContact CG1-O 3.27Å; I4-M15 HydrophobicContact CG2-CB 4.25Å; I4-C55 HydrophobicContact CG2-CB 3.34Å; I4-H56 WeakPolarHBondContact CA-O 3.39Å; I4-L57 HydrophobicContact CD1-CD2 4.23Å; I4-L57 HydrophobicContact CG1-CD2 4.29Å
5	G	40.3	Very low	36.2	Very low	12 Å²	12	93.2 Å²	93.2	12%	0.124	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.2	178.2	0	0	0	0	0	111.8	H56	G5-H56 PolarHBondContact N-O 3.11Å; G5-H56 PolarHBondContact O-N 3.29Å
6	M	38.3	Very low	36.7	Very low	76 Å²	76	95.4 Å²	95.4	37%	0.374	52%	0.523	S	S	.	.			trans	-97.6	159.3	166	-73.9	-154.1	170.8	0	0	110.3	N8 A9 M15	M6-N8 PolarHBondContact O-N 3.39Å; M6-A9 HydrophobicContact CB-CB 3.83Å; M6-A9 PolarHBondContact O-N 3.39Å; M6-A9 VanDerWaalsContact O-N 3.11Å; M6-M15 HydrophobicContact CE-CE 3.97Å
7	P	38.6	Very low	37.4	Very low	92 Å²	92	90.6 Å²	90.6	60%	0.597	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.8	-171.9	-21	33.7	0	0	0	114.1	F53	P7-F53 HydrophobicContact CG-CD1 3.6Å; P7-F53 HydrophobicContact CG-CE1 3.58Å
8	N	35.1	Very low	38.4	Very low	167 Å²	167	89.2 Å²	89.2	89%	0.893	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	13	-179.2	-70.9	-28.7	0	0	0	113.6	M6	M6-N8 PolarHBondContact O-N 3.39Å
9	A	34.2	Very low	39.3	Very low	57 Å²	57	93.9 Å²	93.9	47%	0.471	51%	0.507	S	S	.	.			trans	-95	127.1	-178.5	0	0	0	0	0	111.4	M6 I11	M6-A9 HydrophobicContact CB-CB 3.83Å; M6-A9 PolarHBondContact O-N 3.39Å; M6-A9 VanDerWaalsContact O-N 3.11Å; A9-I11 PolarHBondContact O-N 2.77Å
10	S	29.2	Very low	40.3	Very low	98 Å²	98	97.9 Å²	97.9	69%	0.685	52%	0.523	S	S	*	.			trans	-43.8	128.4	171.2	53.8	0	0	0	0	112.4	G12	S10-G12 PolarHBondContact O-N 3.46Å
11	I	30.9	Very low	41.2	Very low	155 Å²	155	94.2 Å²	94.2	80%	0.795	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-28.7	122.2	170.9	-60.7	162.5	0	0	0	112	A9	A9-I11 PolarHBondContact O-N 2.77Å
12	G	32.4	Very low	42.4	Very low	61 Å²	61	86.4 Å²	86.4	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	7.7	158.1	0	0	0	0	0	119.2	S10	S10-G12 PolarHBondContact O-N 3.46Å
13	R	34.8	Very low	43.7	Very low	206 Å²	206	87.2 Å²	87.2	78%	0.777	48%	0.477	S	S	*	.			trans	-98.5	117	172.8	-91.7	-172.1	177.2	-178.2	0.7	113	I4 M15	I4-R13 VanDerWaalsContact O-O 3.12Å; R13-M15 PolarHBondContact O-N 3.49Å
14	K	38.7	Very low	45	Very low	120 Å²	120	90.5 Å²	90.5	52%	0.522	49%	0.492	S	S	.	.			trans	-66.6	113.5	167.4	-50.2	-175	176	167.9	0	109.8	M1 I2	M1-K14 PolarHBondContact SD-NZ 2.98Å; I2-K14 WeakPolarHBondContact O-CD 3.37Å; I2-K14 WeakPolarHBondContact O-CG 3.43Å
15	M	41.5	Very low	46.5	Very low	97 Å²	97	89.9 Å²	89.9	48%	0.478	49%	0.488	S	S	.	.			trans	-107.8	119	168.9	-87.6	-176.5	59.1	0	0	109.4	I4 M6 R13	I4-M15 HydrophobicContact CB-CB 4.41Å; I4-M15 WeakPolarHBondContact CB-O 3.49Å; I4-M15 WeakPolarHBondContact CD1-O 3.36Å; I4-M15 WeakPolarHBondContact CG1-O 3.27Å; I4-M15 HydrophobicContact CG2-CB 4.25Å; M6-M15 HydrophobicContact CE-CE 3.97Å; R13-M15 PolarHBondContact O-N 3.49Å
16	L	44.7	Very low	48.4	Very low	128 Å²	128	91.8 Å²	91.8	67%	0.67	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-69.2	145.5	166.3	-69.4	164.2	0	0	0	109
17	L	48.3	Very low	50.4	Low	14 Å²	14	88.3 Å²	88.3	7%	0.073	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-62.3	141.7	170.3	-76.5	179.1	0	0	0	109.9	K19 I21 L54 W125 C129	L17-K19 PolarHBondContact O-N 2.9Å; L17-I21 HydrophobicContact CD2-CD1 4.39Å; L17-L54 HydrophobicContact CD1-CD2 3.83Å; L17-L54 HydrophobicContact CD2-CD1 3.76Å; L17-L54 HydrophobicContact CD2-CD2 3.34Å; L17-L54 HydrophobicContact CD2-CG 3.67Å; L17-L54 HydrophobicContact CG-CD2 4.26Å; L17-W125 HydrophobicContact CD1-CH2 4.35Å; L17-W125 HydrophobicContact CD1-CZ2 3.56Å; L17-C129 HydrophobicContact CB-CB 4.33Å; L17-C129 HydrophobicContact CD1-CB 4.19Å; L17-C129 VanDerWaalsContact CD1-SG 3.5Å
18	P	55.9	Low	52.4	Low	65 Å²	65	84.5 Å²	84.5	42%	0.422	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-53.6	128	170.4	-22.8	30.7	0	0	0	110	E20 I21	P18-E20 PolarHBondContact O-N 2.92Å; P18-I21 HydrophobicContact CB-CD1 4.43Å; P18-I21 HydrophobicContact CB-CG1 4.39Å; P18-I21 HydrophobicContact CG-CD1 4.13Å; P18-I21 WeakPolarHBondContact O-CB 3.44Å; P18-I21 PolarHBondContact O-N 3.26Å
19	K	55	Low	54.4	Low	179 Å²	179	77 Å²	77	78%	0.778	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-54.2	-15.2	176.7	-80	-170.7	173.4	-170.4	0	113.9	L17 I21 S22	L17-K19 PolarHBondContact O-N 2.9Å; K19-I21 VanDerWaalsContact C-N 3.28Å; K19-S22 PolarHBondContact O-OG 2.86Å
20	E	59.1	Low	56.1	Low	174 Å²	174	74.4 Å²	74.4	81%	0.813	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-73.5	-19.3	177.9	-66	143	-154.9	0	0	112.9	P18 S22	P18-E20 PolarHBondContact O-N 2.92Å; E20-S22 VanDerWaalsContact C-N 3.34Å
21	I	60.1	Low	57.7	Low	20 Å²	20	69.9 Å²	69.9	10%	0.103	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-80.2	-14.4	-177.1	-68.1	-176	0	0	0	112.4	L17 P18 K19 S25 L54 Y87 N92 I94	L17-I21 HydrophobicContact CD2-CD1 4.39Å; P18-I21 HydrophobicContact CB-CD1 4.43Å; P18-I21 HydrophobicContact CB-CG1 4.39Å; P18-I21 HydrophobicContact CG-CD1 4.13Å; P18-I21 WeakPolarHBondContact O-CB 3.44Å; P18-I21 PolarHBondContact O-N 3.26Å; K19-I21 VanDerWaalsContact C-N 3.28Å; I21-S25 PolarHBondContact O-OG 3.39Å; I21-L54 HydrophobicContact CD1-CD1 4.41Å; I21-Y87 HydrophobicContact CB-CE1 4.24Å; I21-Y87 HydrophobicContact CD1-CD1 3.84Å; I21-Y87 HydrophobicContact CD1-CE1 3.86Å; I21-Y87 HydrophobicContact CG1-CD1 4.15Å; I21-Y87 HydrophobicContact CG1-CE1 3.65Å; I21-Y87 HydrophobicContact CG2-CD1 4.11Å; I21-Y87 HydrophobicContact CG2-CD2 3.82Å; I21-Y87 HydrophobicContact CG2-CE1 3.92Å; I21-Y87 HydrophobicContact CG2-CE2 3.62Å; I21-Y87 HydrophobicContact CG2-CG 4.05Å; I21-N92 PolarHBondContact O-OD1 3.18Å; I21-I94 HydrophobicContact CG2-CD1 3.87Å; I21-I94 HydrophobicContact CG2-CG1 4.26Å
22	S	57.3	Low	58.7	Low	10 Å²	10	63.5 Å²	63.5	7%	0.07	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-34	-164.9	37	0	0	0	0	116.9	K19 E20 N24 S25 C129 A130	K19-S22 PolarHBondContact O-OG 2.86Å; E20-S22 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.12Å; S22-S25 PolarHBondContact O-N 3.22Å; S22-C129 WeakPolarHBondContact CB-O 3.42Å; S22-C129 PolarHBondContact OG-O 3.4Å; S22-A130 VanDerWaalsContact CB-CA 3.47Å
23	A	61.9	Low	59.5	Low	50 Å²	50	61 Å²	61	41%	0.413	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	117.6	-174.6	0	0	0	0	0	110.3	S25 N92	A23-S25 PolarHBondContact O-N 3.05Å; A23-N92 PolarHBondContact O-ND2 3.29Å
24	N	67.4	Low	59.9	Low	106 Å²	106	52.8 Å²	52.8	57%	0.567	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	29.4	-177.4	-60.4	-56.3	0	0	0	115.6	S22 N92 R168	S22-N24 PolarHBondContact O-N 3.48Å; S22-N24 VanDerWaalsContact O-N 3.12Å; N24-N92 PolarHBondContact O-ND2 3.13Å; N24-R168 PolarHBondContact OD1-NH1 3.1Å
25	S	73.1	Confident	60.2	Low	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.			trans	-77.2	140.8	175.5	-99.2	0	0	0	0	112.5	I21 S22 A23 N92 V136	I21-S25 PolarHBondContact O-OG 3.39Å; S22-S25 PolarHBondContact O-N 3.22Å; A23-S25 PolarHBondContact O-N 3.05Å; S25-N92 CarbonylContact C-O 3.58Å; S25-N92 WeakPolarHBondContact CA-ND2 3.45Å; S25-N92 VanDerWaalsContact CA-O 3.29Å; S25-N92 WeakPolarHBondContact CA-O 3.31Å; S25-N92 PolarHBondContact N-ND2 2.86Å; S25-N92 PolarHBondContact OG-ND2 3.07Å; S25-N92 PolarHBondContact OG-O 3.5Å; S25-N92 PolarHBondContact OG-OD1 2.9Å; S25-V136 PolarHBondContact O-N 2.92Å
26	L	80.3	Confident	60.8	Low	53 Å²	53	49 Å²	49	28%	0.277	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.3	167.3	-177	69.7	0	0	0	108.8	N92 I93 I94 V136 V138	L26-N92 PolarHBondContact N-O 2.83Å; L26-I93 HydrophobicContact CB-CG1 4.28Å; L26-I93 HydrophobicContact CD2-CD1 4.43Å; L26-I93 HydrophobicContact CD2-CG1 4.27Å; L26-I93 CarbonylContact O-C 3.57Å; L26-I93 WeakPolarHBondContact O-CA 3.44Å; L26-I94 PolarHBondContact O-N 2.78Å; L26-V136 HydrophobicContact CD1-CB 3.69Å; L26-V136 HydrophobicContact CD1-CG1 3.55Å; L26-V138 HydrophobicContact CD1-CG2 3.53Å; L26-V138 HydrophobicContact CD2-CG2 4.46Å; L26-V138 HydrophobicContact CG-CG2 4.12Å
27	L	80.2	Confident	61.5	Low	2 Å²	2	45 Å²	45	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.8	177.4	176	66.9	0	0	0	110.5	I94 L96 L126 L135 V136 L137 V138	L27-I94 CarbonylContact C-O 3.58Å; L27-I94 WeakPolarHBondContact CA-O 3.42Å; L27-I94 HydrophobicContact CD1-CB 4.09Å; L27-I94 HydrophobicContact CD1-CG2 3.84Å; L27-L96 HydrophobicContact CD1-CD1 4.23Å; L27-L96 HydrophobicContact CD1-CG 4.15Å; L27-L126 HydrophobicContact CD1-CD2 4.41Å; L27-L126 HydrophobicContact CD2-CD1 4.16Å; L27-L126 HydrophobicContact CD2-CD2 3.38Å; L27-L126 HydrophobicContact CD2-CG 4.43Å; L27-L135 HydrophobicContact CD2-CD1 4.32Å; L27-V136 PolarHBondContact N-O 2.93Å; L27-L137 HydrophobicContact CD2-CD1 3.91Å; L27-L137 HydrophobicContact CG-CD1 4.21Å; L27-L137 CarbonylContact O-C 3.33Å; L27-V138 PolarHBondContact O-N 2.77Å
28	I	80.4	Confident	62.1	Low	12 Å²	12	44.7 Å²	44.7	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	174.7	-59.3	178.2	0	0	0	109.1	V42 L45 I93 I94 V95 L96 V138 L140	I28-V42 HydrophobicContact CG2-CG2 4.22Å; I28-L45 HydrophobicContact CD1-CD1 4.22Å; I28-L45 HydrophobicContact CD1-CD2 3.44Å; I28-L45 VanDerWaalsContact CD1-CD2 3.44Å; I28-I93 HydrophobicContact CD1-CG2 3.81Å; I28-I93 HydrophobicContact CG1-CG2 4.25Å; I28-I94 PolarHBondContact N-O 3.38Å; I28-V95 HydrophobicContact CB-CB 4.49Å; I28-V95 HydrophobicContact CB-CG1 4.23Å; I28-V95 HydrophobicContact CB-CG2 4.2Å; I28-V95 HydrophobicContact CD1-CG2 4.12Å; I28-V95 HydrophobicContact CG1-CG2 4.5Å; I28-V95 HydrophobicContact CG2-CG1 4.26Å; I28-L96 PolarHBondContact O-N 3.4Å; I28-V138 HydrophobicContact CG1-CB 4.24Å; I28-V138 HydrophobicContact CG1-CG2 4.43Å; I28-L140 HydrophobicContact CG2-CD1 4.5Å
29	L	76.6	Confident	62.6	Low	10 Å²	10	42.3 Å²	42.3	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.3	-179.8	-179.2	72.8	0	0	0	110.1	L96 F98 L122 L137 V138 V139 L140 W161	L29-L96 HydrophobicContact CD1-CB 4.31Å; L29-L96 HydrophobicContact CD1-CD1 3.7Å; L29-F98 HydrophobicContact CD1-CE2 3.7Å; L29-F98 HydrophobicContact CD1-CZ 3.84Å; L29-L122 HydrophobicContact CD1-CD2 4.14Å; L29-L122 HydrophobicContact CD2-CD2 4.25Å; L29-L137 HydrophobicContact CB-CD1 3.83Å; L29-L137 HydrophobicContact CD2-CD1 4.23Å; L29-V138 PolarHBondContact N-O 3.17Å; L29-V139 WeakPolarHBondContact O-CA 3.46Å; L29-L140 PolarHBondContact O-N 3.48Å; L29-W161 HydrophobicContact CD2-CH2 3.71Å; L29-W161 HydrophobicContact CD2-CZ3 3.95Å
30	P	69.5	Low	62.9	Low	2 Å²	2	37.9 Å²	37.9	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.6	172.2	32.1	-35.5	0	0	0	110.3	V42 L96 F98	P30-V42 HydrophobicContact CB-CG2 3.85Å; P30-V42 HydrophobicContact CG-CG2 3.83Å; P30-L96 WeakPolarHBondContact CD-O 3.38Å; P30-L96 WeakPolarHBondContact CG-O 3.34Å; P30-F98 HydrophobicContact CG-CD2 3.83Å; P30-F98 HydrophobicContact CG-CE2 4.12Å
31	T	64.3	Low	63.2	Low	3 Å²	3	31.5 Å²	31.5	2%	0.018	20%	0.196	C	C	.	.			trans	-98.1	138.3	170.6	68.7	0	0	0	0	110.1	S38 I116 V139 L140 L141	T31-S38 WeakPolarHBondContact O-CB 3.42Å; T31-S38 PolarHBondContact O-OG 2.9Å; T31-I116 HydrophobicContact CG2-CD1 3.81Å; T31-I116 HydrophobicContact CG2-CG1 3.66Å; T31-V139 HydrophobicContact CG2-CG1 3.27Å; T31-L140 WeakPolarHBondContact CB-O 3.49Å; T31-L140 PolarHBondContact N-O 2.68Å; T31-L140 PolarHBondContact OG1-O 2.95Å; T31-L141 WeakPolarHBondContact OG1-CA 3.47Å
32	V	52.1	Low	63.8	Low	21 Å²	21	30.6 Å²	30.6	13%	0.127	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-106.7	93.5	179.7	-171.5	0	0	0	0	107.7	Q39 M66 G115	V32-Q39 HydrophobicContact CG2-CG 4.27Å; V32-M66 HydrophobicContact CG2-SD 4.29Å; V32-G115 CarbonylContact O-C 3.56Å; V32-G115 VanDerWaalsContact O-C 3.29Å; V32-G115 PolarHBondContact O-N 3Å; V32-G115 VanDerWaalsContact O-N 3.1Å
33	S	48.1	Very low	64.1	Low	8 Å²	8	32.1 Å²	32.1	6%	0.056	20%	0.198	C	C	.	.	S	Bend	trans	-96	-55.1	175.1	116.7	0	0	0	0	111.4	Y114 D142	S33-Y114 WeakPolarHBondContact O-CB 3.4Å; S33-Y114 WeakPolarHBondContact O-CD1 3.3Å; S33-D142 WeakPolarHBondContact CB-O 3.35Å; S33-D142 PolarHBondContact OG-O 3.5Å
34	I	42.9	Very low	64.3	Low	34 Å²	34	34.9 Å²	34.9	17%	0.174	21%	0.206	C	C	.	.	S	Bend	trans	-155.1	130.2	166.6	-66.2	-153.5	0	0	0	107.6	Y114 D142 A144 E145	I34-Y114 HydrophobicContact CB-CD1 4.13Å; I34-Y114 HydrophobicContact CB-CE1 3.79Å; I34-Y114 HydrophobicContact CD1-CD1 4.42Å; I34-Y114 HydrophobicContact CD1-CD2 4.11Å; I34-Y114 HydrophobicContact CD1-CE1 4.07Å; I34-Y114 HydrophobicContact CD1-CE2 3.74Å; I34-Y114 HydrophobicContact CD1-CG 4.42Å; I34-Y114 HydrophobicContact CG1-CD1 3.63Å; I34-Y114 HydrophobicContact CG1-CD2 4.09Å; I34-Y114 HydrophobicContact CG1-CE1 3.53Å; I34-Y114 HydrophobicContact CG1-CE2 4.02Å; I34-Y114 HydrophobicContact CG1-CG 3.89Å; I34-Y114 HydrophobicContact CG2-CE1 3.87Å; I34-D142 VanDerWaalsContact O-CG 3.3Å; I34-A144 HydrophobicContact CB-CB 3.83Å; I34-A144 WeakPolarHBondContact CD1-O 3.22Å; I34-A144 HydrophobicContact CG2-CB 4.08Å; I34-E145 VanDerWaalsContact CD1-CA 3.43Å; I34-E145 HydrophobicContact CD1-CB 4.05Å; I34-E145 HydrophobicContact CG1-CB 4Å
35	G	46	Very low	64.4	Low	43 Å²	43	32.5 Å²	32.5	44%	0.443	19%	0.193	S	C	.	.	S	Bend	trans	94.7	172.5	-177.9	0	0	0	0	0	113.9
36	N	54.5	Low	64.3	Low	96 Å²	96	33.4 Å²	33.4	51%	0.513	20%	0.197	S	C	.	.	S	Bend	trans	-104.3	8	179.5	61.9	-8.4	0	0	0	112.8	S38 Q39 Q40	N36-S38 PolarHBondContact O-N 3.16Å; N36-Q39 CarbonylContact O-C 3.22Å; N36-Q39 WeakPolarHBondContact O-CB 2.85Å; N36-Q39 PolarHBondContact O-N 3.12Å; N36-Q39 VanDerWaalsContact O-N 3.08Å; N36-Q40 HydrophobicContact CB-CG 4.48Å; N36-Q40 PolarHBondContact ND2-NE2 3.21Å; N36-Q40 VanDerWaalsContact ND2-NE2 3.18Å; N36-Q40 WeakPolarHBondContact O-CB 3.21Å; N36-Q40 WeakPolarHBondContact O-CG 3.17Å; N36-Q40 PolarHBondContact O-N 2.97Å; N36-Q40 PolarHBondContact OD1-NE2 2.83Å
37	A	57.9	Low	63.7	Low	43 Å²	43	35.3 Å²	35.3	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-59.5	-43.3	-173.1	0	0	0	0	0	113.3	Q39 Q40 A41	A37-Q39 VanDerWaalsContact C-N 3.34Å; A37-Q39 PolarHBondContact O-N 3.31Å; A37-Q40 PolarHBondContact O-N 2.95Å; A37-A41 WeakPolarHBondContact O-CB 3.09Å; A37-A41 PolarHBondContact O-N 3.13Å
38	S	62.7	Low	63.1	Low	7 Å²	7	41.2 Å²	41.2	5%	0.049	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-36.7	175.6	58.1	0	0	0	0	112.5	T31 N36 V42	T31-S38 WeakPolarHBondContact O-CB 3.42Å; T31-S38 PolarHBondContact O-OG 2.9Å; N36-S38 PolarHBondContact O-N 3.16Å; S38-V42 PolarHBondContact O-N 3.46Å
39	Q	66.2	Low	63	Low	16 Å²	16	43.6 Å²	43.6	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-40.6	174.2	-64.1	-61.5	-25.7	0	0	111.7	V32 N36 A37 A41 V42 D43 F98	V32-Q39 HydrophobicContact CG2-CG 4.27Å; N36-Q39 CarbonylContact O-C 3.22Å; N36-Q39 WeakPolarHBondContact O-CB 2.85Å; N36-Q39 PolarHBondContact O-N 3.12Å; N36-Q39 VanDerWaalsContact O-N 3.08Å; A37-Q39 VanDerWaalsContact C-N 3.34Å; A37-Q39 PolarHBondContact O-N 3.31Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 3.38Å; Q39-V42 CarbonylContact O-C 3.59Å; Q39-V42 WeakPolarHBondContact O-CA 3.43Å; Q39-V42 WeakPolarHBondContact O-CB 3.16Å; Q39-V42 PolarHBondContact O-N 3.38Å; Q39-V42 VanDerWaalsContact O-N 3.13Å; Q39-D43 PolarHBondContact O-N 3.22Å; Q39-F98 PolarHBondContact OE1-O 3.5Å
40	Q	60.9	Low	63.1	Low	85 Å²	85	51.7 Å²	51.7	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-37.3	175.1	-74	177.6	-18.1	0	0	111.8	N36 A37 V42 D43 L44	N36-Q40 HydrophobicContact CB-CG 4.48Å; N36-Q40 PolarHBondContact ND2-NE2 3.21Å; N36-Q40 VanDerWaalsContact ND2-NE2 3.18Å; N36-Q40 WeakPolarHBondContact O-CB 3.21Å; N36-Q40 WeakPolarHBondContact O-CG 3.17Å; N36-Q40 PolarHBondContact O-N 2.97Å; N36-Q40 PolarHBondContact OD1-NE2 2.83Å; A37-Q40 PolarHBondContact O-N 2.95Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-D43 WeakPolarHBondContact O-CB 3.28Å; Q40-D43 PolarHBondContact O-N 2.91Å; Q40-L44 WeakPolarHBondContact O-CG 3.27Å; Q40-L44 PolarHBondContact O-N 2.65Å
41	A	65.6	Low	63.7	Low	40 Å²	40	52 Å²	52	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-42.3	172.9	0	0	0	0	0	111.1	A37 Q39 L44 L45 L140	A37-A41 WeakPolarHBondContact O-CB 3.09Å; A37-A41 PolarHBondContact O-N 3.13Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 3.38Å; A41-L44 PolarHBondContact O-N 2.88Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.12Å; A41-L140 HydrophobicContact CB-CD1 3.84Å
42	V	71.3	Confident	64.6	Low	1 Å²	1	55.2 Å²	55.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-43.1	171.9	161.1	0	0	0	0	111.7	I28 P30 S38 Q39 Q40 L44 L45 I46 V95 Q97 L140	I28-V42 HydrophobicContact CG2-CG2 4.22Å; P30-V42 HydrophobicContact CB-CG2 3.85Å; P30-V42 HydrophobicContact CG-CG2 3.83Å; S38-V42 PolarHBondContact O-N 3.46Å; Q39-V42 CarbonylContact O-C 3.59Å; Q39-V42 WeakPolarHBondContact O-CA 3.43Å; Q39-V42 WeakPolarHBondContact O-CB 3.16Å; Q39-V42 PolarHBondContact O-N 3.38Å; Q39-V42 VanDerWaalsContact O-N 3.13Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.35Å; V42-L45 WeakPolarHBondContact O-CB 3.29Å; V42-L45 PolarHBondContact O-N 3.49Å; V42-L45 VanDerWaalsContact O-N 3.15Å; V42-I46 HydrophobicContact CG1-CD1 3.55Å; V42-I46 HydrophobicContact CG1-CG1 4.3Å; V42-I46 VanDerWaalsContact O-CG1 3.31Å; V42-I46 WeakPolarHBondContact O-CG1 3.31Å; V42-I46 PolarHBondContact O-N 3.01Å; V42-V95 HydrophobicContact CB-CG1 4.3Å; V42-V95 HydrophobicContact CG1-CG1 3.54Å; V42-V95 HydrophobicContact CG2-CG1 4Å; V42-Q97 HydrophobicContact CG1-CB 3.89Å; V42-Q97 HydrophobicContact CG1-CG 4.15Å; V42-L140 HydrophobicContact CG2-CD1 4.01Å
43	D	64.8	Low	66.1	Low	42 Å²	42	57.2 Å²	57.2	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-47.4	176.7	-69.1	-10.3	0	0	0	111.7	Q39 Q40 L45 I46 C47 Q97 R99	Q39-D43 PolarHBondContact O-N 3.22Å; Q40-D43 WeakPolarHBondContact O-CB 3.28Å; Q40-D43 PolarHBondContact O-N 2.91Å; D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 3.21Å; D43-I46 PolarHBondContact O-N 2.87Å; D43-C47 WeakPolarHBondContact O-CB 3.39Å; D43-C47 PolarHBondContact O-N 2.85Å; D43-Q97 PolarHBondContact OD1-NE2 3.24Å; D43-R99 IonicContact OD1-CZ 3.53Å; D43-R99 IonicContact OD1-NH2 2.81Å; D43-R99 PolarHBondContact OD1-NH2 3.38Å; D43-R99 IonicContact OD2-CZ 3.86Å; D43-R99 IonicContact OD2-NH1 3.61Å; D43-R99 IonicContact OD2-NH2 2.76Å; D43-R99 PolarHBondContact OD2-NH2 3.33Å
44	L	64.8	Low	67.5	Low	108 Å²	108	58 Å²	58	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-61.7	-39.4	175.8	-74.6	172.3	0	0	0	111.4	Q40 A41 V42 N48	Q40-L44 WeakPolarHBondContact O-CG 3.27Å; Q40-L44 PolarHBondContact O-N 2.65Å; A41-L44 PolarHBondContact O-N 2.88Å; V42-L44 PolarHBondContact O-N 3.35Å; L44-N48 WeakPolarHBondContact O-CB 3.4Å; L44-N48 PolarHBondContact O-N 2.83Å; L44-N48 PolarHBondContact O-ND2 2.66Å
45	L	70.7	Confident	68.9	Low	56 Å²	56	56.5 Å²	56.5	29%	0.293	32%	0.318	S	S	.	.	H	α-helix	trans	-68	-46.1	-179.2	-155.4	124.4	0	0	0	111.2	I28 A41 V42 D43 M49 I51 V95	I28-L45 HydrophobicContact CD1-CD1 4.22Å; I28-L45 HydrophobicContact CD1-CD2 3.44Å; I28-L45 VanDerWaalsContact CD1-CD2 3.44Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.12Å; V42-L45 WeakPolarHBondContact O-CB 3.29Å; V42-L45 PolarHBondContact O-N 3.49Å; V42-L45 VanDerWaalsContact O-N 3.15Å; D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 3.21Å; L45-M49 HydrophobicContact CD2-CE 3.3Å; L45-M49 HydrophobicContact CG-CE 3.66Å; L45-M49 VanDerWaalsContact O-CB 3.31Å; L45-M49 WeakPolarHBondContact O-CB 3.48Å; L45-M49 PolarHBondContact O-N 2.84Å; L45-I51 HydrophobicContact CD2-CD1 3.93Å; L45-V95 HydrophobicContact CD2-CG2 3.85Å
46	I	71.3	Confident	70	Confident	20 Å²	20	56.6 Å²	56.6	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-48.7	174.8	-68.1	163.4	0	0	0	110.3	V42 D43 K50 I51 Y86 V95 Q97	V42-I46 HydrophobicContact CG1-CD1 3.55Å; V42-I46 HydrophobicContact CG1-CG1 4.3Å; V42-I46 VanDerWaalsContact O-CG1 3.31Å; V42-I46 WeakPolarHBondContact O-CG1 3.31Å; V42-I46 PolarHBondContact O-N 3.01Å; D43-I46 PolarHBondContact O-N 2.87Å; I46-K50 CarbonylContact O-C 3.48Å; I46-K50 VanDerWaalsContact O-CA 3.27Å; I46-K50 WeakPolarHBondContact O-CA 3.3Å; I46-K50 PolarHBondContact O-N 2.97Å; I46-I51 HydrophobicContact CG1-CD1 4.39Å; I46-I51 HydrophobicContact CG2-CB 4.48Å; I46-I51 PolarHBondContact O-N 3.25Å; I46-Y86 HydrophobicContact CD1-CD1 4.24Å; I46-Y86 HydrophobicContact CD1-CD2 3.49Å; I46-Y86 VanDerWaalsContact CD1-CD2 3.49Å; I46-Y86 HydrophobicContact CD1-CE1 4.31Å; I46-Y86 HydrophobicContact CD1-CE2 3.57Å; I46-Y86 HydrophobicContact CD1-CG 3.85Å; I46-Y86 HydrophobicContact CG1-CD1 4.37Å; I46-Y86 HydrophobicContact CG1-CD2 4.23Å; I46-Y86 HydrophobicContact CG1-CG 4.1Å; I46-Y86 HydrophobicContact CG2-CD1 3.79Å; I46-Y86 HydrophobicContact CG2-CE1 3.86Å; I46-Y86 HydrophobicContact CG2-CG 4.37Å; I46-V95 HydrophobicContact CD1-CG1 4.26Å; I46-V95 HydrophobicContact CG1-CB 4.46Å; I46-V95 HydrophobicContact CG1-CG1 4.2Å; I46-Q97 HydrophobicContact CD1-CB 4.23Å
47	C	67.9	Low	70.5	Confident	93 Å²	93	52 Å²	52	63%	0.628	28%	0.282	S	S	*	.	H	α-helix	trans	-66.5	-51.3	-177.1	-173.5	0	0	0	0	112.1	D43 M49 K50	D43-C47 WeakPolarHBondContact O-CB 3.39Å; D43-C47 PolarHBondContact O-N 2.85Å; C47-M49 PolarHBondContact O-N 2.77Å; C47-K50 PolarHBondContact O-N 3.16Å
48	N	67.2	Low	70.6	Confident	125 Å²	125	50.4 Å²	50.4	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-68.8	-37.4	-176.3	-75.2	-56.5	0	0	0	112.7	L44 K50	L44-N48 WeakPolarHBondContact O-CB 3.4Å; L44-N48 PolarHBondContact O-N 2.83Å; L44-N48 PolarHBondContact O-ND2 2.66Å; N48-K50 VanDerWaalsContact C-N 3.3Å
49	M	77.4	Confident	70.2	Confident	63 Å²	63	50.2 Å²	50.2	31%	0.31	27%	0.266	S	S	.	.	H	α-helix	trans	-87.5	-1.3	176.7	-60.1	-160.7	-58.6	0	0	113.1	L45 C47 I51 I93	L45-M49 HydrophobicContact CD2-CE 3.3Å; L45-M49 HydrophobicContact CG-CE 3.66Å; L45-M49 VanDerWaalsContact O-CB 3.31Å; L45-M49 WeakPolarHBondContact O-CB 3.48Å; L45-M49 PolarHBondContact O-N 2.84Å; C47-M49 PolarHBondContact O-N 2.77Å; M49-I51 HydrophobicContact CB-CD1 4.31Å; M49-I51 HydrophobicContact CB-CG1 3.76Å; M49-I51 HydrophobicContact CE-CD1 3.53Å; M49-I51 HydrophobicContact CE-CG1 4.14Å; M49-I51 PolarHBondContact O-N 3.09Å; M49-I93 HydrophobicContact CE-CD1 3.98Å
50	K	78.4	Confident	69.4	Low	180 Å²	180	53.8 Å²	53.8	78%	0.783	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	45.4	-176.4	-58.6	-178.8	179.1	-179.9	0	112.2	I46 C47 N48 P52	I46-K50 CarbonylContact O-C 3.48Å; I46-K50 VanDerWaalsContact O-CA 3.27Å; I46-K50 WeakPolarHBondContact O-CA 3.3Å; I46-K50 PolarHBondContact O-N 2.97Å; C47-K50 PolarHBondContact O-N 3.16Å; N48-K50 VanDerWaalsContact C-N 3.3Å; K50-P52 VanDerWaalsContact O-CD 3.28Å; K50-P52 WeakPolarHBondContact O-CD 3.35Å
51	I	82.6	Confident	68.6	Low	7 Å²	7	56.1 Å²	56.1	4%	0.036	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.9	122.6	-174.8	-51.6	179.9	0	0	0	109.1	L45 I46 M49 F53 Y87 C88 V95	L45-I51 HydrophobicContact CD2-CD1 3.93Å; I46-I51 HydrophobicContact CG1-CD1 4.39Å; I46-I51 HydrophobicContact CG2-CB 4.48Å; I46-I51 PolarHBondContact O-N 3.25Å; M49-I51 HydrophobicContact CB-CD1 4.31Å; M49-I51 HydrophobicContact CB-CG1 3.76Å; M49-I51 HydrophobicContact CE-CD1 3.53Å; M49-I51 HydrophobicContact CE-CG1 4.14Å; M49-I51 PolarHBondContact O-N 3.09Å; I51-F53 PolarHBondContact O-N 3.08Å; I51-Y87 VanDerWaalsContact CG2-C 3.47Å; I51-C88 HydrophobicContact CG1-CB 4.42Å; I51-C88 HydrophobicContact CG2-CB 3.93Å; I51-V95 HydrophobicContact CD1-CG2 3.57Å
52	P	83.4	Confident	67.5	Low	71 Å²	71	56.5 Å²	56.5	46%	0.461	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.7	137.6	176.6	-26	33.6	0	0	0	112.9	K50 L54 Y86 Y87	K50-P52 VanDerWaalsContact O-CD 3.28Å; K50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-L54 PolarHBondContact O-N 2.86Å; P52-Y86 VanDerWaalsContact O-CA 3.3Å; P52-Y86 WeakPolarHBondContact O-CA 3.46Å; P52-Y86 WeakPolarHBondContact O-CB 3.19Å; P52-Y87 VanDerWaalsContact CD-O 3.29Å; P52-Y87 WeakPolarHBondContact CD-O 3.29Å; P52-Y87 PolarHBondContact O-N 3Å
53	F	82.8	Confident	65.8	Low	63 Å²	63	64.6 Å²	64.6	28%	0.276	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.3	166.6	176.2	-91.4	0	0	0	109.7	P7 I51 C55 H56 Y86	P7-F53 HydrophobicContact CG-CD1 3.6Å; P7-F53 HydrophobicContact CG-CE1 3.58Å; I51-F53 PolarHBondContact O-N 3.08Å; F53-C55 VanDerWaalsContact CZ-CA 3.42Å; F53-H56 AromaticContact CE2-CE1 3.55Å; F53-H56 AromaticContact CE2-ND1 3.82Å; F53-H56 AromaticContact CE2-NE2 3.69Å; F53-H56 AromaticContact CZ-CD2 3.37Å; F53-H56 WeakPolarHBondContact CZ-CD2 2.88Å; F53-H56 AromaticContact CZ-CE1 3.69Å; F53-H56 AromaticContact CZ-CG 3.71Å; F53-H56 AromaticContact CZ-ND1 3.89Å; F53-H56 AromaticContact CZ-NE2 3.36Å; F53-H56 WeakPolarHBondContact CZ-NE2 3.48Å; F53-Y86 HydrophobicContact CB-CD1 4.11Å; F53-Y86 HydrophobicContact CB-CE1 3.96Å; F53-Y86 HydrophobicContact CD2-CD1 4.41Å; F53-Y86 AromaticContact CD2-CE1 3.87Å; F53-Y86 HydrophobicContact CD2-CE1 3.87Å; F53-Y86 AromaticContact CD2-CZ 3.95Å; F53-Y86 HydrophobicContact CG-CE1 4.43Å
54	L	78.2	Confident	64.5	Low	26 Å²	26	66 Å²	66	14%	0.136	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-60.2	-179.2	-179.7	65.3	0	0	0	110.7	L17 I21 P52 A85	L17-L54 HydrophobicContact CD1-CD2 3.83Å; L17-L54 HydrophobicContact CD2-CD1 3.76Å; L17-L54 HydrophobicContact CD2-CD2 3.34Å; L17-L54 HydrophobicContact CD2-CG 3.67Å; L17-L54 HydrophobicContact CG-CD2 4.26Å; I21-L54 HydrophobicContact CD1-CD1 4.41Å; P52-L54 PolarHBondContact O-N 2.86Å; L54-A85 WeakPolarHBondContact CA-O 3.46Å; L54-A85 HydrophobicContact CB-CB 4.42Å; L54-A85 VanDerWaalsContact CB-O 3.27Å; L54-A85 WeakPolarHBondContact CB-O 3.47Å; L54-A85 HydrophobicContact CD2-CB 4.13Å; L54-A85 PolarHBondContact N-O 3.45Å
55	C	72.1	Confident	63.2	Low	2 Å²	2	63.3 Å²	63.3	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	168.2	-178.7	62.1	0	0	0	0	112.7	I4 F53 S84 A85	I4-C55 HydrophobicContact CG2-CB 3.34Å; F53-C55 VanDerWaalsContact CZ-CA 3.42Å; C55-S84 CarbonylContact O-C 3.59Å; C55-S84 WeakPolarHBondContact O-CA 3.31Å; C55-A85 PolarHBondContact N-O 2.66Å; C55-A85 PolarHBondContact O-N 3.29Å
56	H	68.3	Low	61.8	Low	44 Å²	44	62 Å²	62	20%	0.204	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.4	164.1	-61.4	-75.7	0	0	0	111.3	I4 G5 F53 F72 C83 S84	I4-H56 WeakPolarHBondContact CA-O 3.39Å; G5-H56 PolarHBondContact N-O 3.11Å; G5-H56 PolarHBondContact O-N 3.29Å; F53-H56 AromaticContact CE2-CE1 3.55Å; F53-H56 AromaticContact CE2-ND1 3.82Å; F53-H56 AromaticContact CE2-NE2 3.69Å; F53-H56 AromaticContact CZ-CD2 3.37Å; F53-H56 WeakPolarHBondContact CZ-CD2 2.88Å; F53-H56 AromaticContact CZ-CE1 3.69Å; F53-H56 AromaticContact CZ-CG 3.71Å; F53-H56 AromaticContact CZ-ND1 3.89Å; F53-H56 AromaticContact CZ-NE2 3.36Å; F53-H56 WeakPolarHBondContact CZ-NE2 3.48Å; H56-F72 HydrophobicContact CB-CE1 4.14Å; H56-F72 HydrophobicContact CB-CE2 3.93Å; H56-F72 HydrophobicContact CB-CZ 3.23Å; H56-F72 AromaticContact CD2-CE1 3.27Å; H56-F72 WeakPolarHBondContact CD2-CE1 3.42Å; H56-F72 AromaticContact CD2-CZ 3.23Å; H56-F72 WeakPolarHBondContact CD2-CZ 3.23Å; H56-F72 AromaticContact CG-CE1 3.9Å; H56-F72 AromaticContact CG-CZ 3.32Å; H56-C83 CarbonylContact C-O 3.56Å; H56-C83 WeakPolarHBondContact CA-O 3.18Å; H56-S84 PolarHBondContact CE1-OG 3.33Å; H56-S84 PolarHBondContact ND1-OG 2.85Å
57	L	66.5	Low	60.6	Low	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107	-177.6	-62.6	-173.9	0	0	0	108.7	I4 I81 C83 A85 L96 F121 W125	I4-L57 HydrophobicContact CD1-CD2 4.23Å; I4-L57 HydrophobicContact CG1-CD2 4.29Å; L57-I81 VanDerWaalsContact O-O 3.06Å; L57-C83 HydrophobicContact CB-CB 4.02Å; L57-C83 PolarHBondContact N-O 2.86Å; L57-A85 HydrophobicContact CD1-CB 4.41Å; L57-A85 HydrophobicContact CG-CB 4.47Å; L57-L96 HydrophobicContact CD1-CD2 3.79Å; L57-F121 HydrophobicContact CB-CE1 3.99Å; L57-F121 HydrophobicContact CB-CZ 3.8Å; L57-W125 HydrophobicContact CD1-CD2 3.85Å; L57-W125 HydrophobicContact CD1-CE3 4.08Å; L57-W125 HydrophobicContact CD1-CG 4.4Å; L57-W125 HydrophobicContact CD1-CH2 4.15Å; L57-W125 HydrophobicContact CD1-CZ2 3.9Å; L57-W125 HydrophobicContact CD1-CZ3 4.24Å; L57-W125 HydrophobicContact CD2-CD2 4.13Å; L57-W125 HydrophobicContact CD2-CG 4.19Å; L57-W125 HydrophobicContact CD2-CZ2 4Å
58	N	59.2	Low	59.4	Low	9 Å²	9	57.9 Å²	57.9	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.5	179.7	-77.5	5.6	0	0	0	111.9	S3 F72 I80 F121	S3-N58 PolarHBondContact O-N 2.87Å; N58-F72 WeakPolarHBondContact ND2-CD2 3.32Å; N58-F72 WeakPolarHBondContact ND2-CE2 3.26Å; N58-F72 WeakPolarHBondContact OD1-CE2 3.37Å; N58-I80 HydrophobicContact CB-CD1 4.11Å; N58-I80 VanDerWaalsContact ND2-CD1 3.26Å; N58-I80 WeakPolarHBondContact ND2-CD1 3.5Å; N58-I80 VanDerWaalsContact OD1-CD1 3.23Å; N58-I80 WeakPolarHBondContact OD1-CD1 3.37Å; N58-F121 WeakPolarHBondContact O-CE2 3.27Å
59	A	54.4	Low	58.3	Low	4 Å²	4	53.8 Å²	53.8	3%	0.033	28%	0.279	C	S	.	.			trans	-133.6	124.8	-179.7	0	0	0	0	0	113.2	D61 I81 F121	A59-D61 VanDerWaalsContact C-N 3.33Å; A59-D61 PolarHBondContact O-N 2.78Å; A59-I81 HydrophobicContact CB-CB 4.45Å; A59-I81 HydrophobicContact CB-CD1 3.72Å; A59-I81 HydrophobicContact CB-CG1 4.15Å; A59-F121 HydrophobicContact CB-CB 3.8Å; A59-F121 HydrophobicContact CB-CD1 3.58Å; A59-F121 HydrophobicContact CB-CD2 3.32Å; A59-F121 HydrophobicContact CB-CE1 3.91Å; A59-F121 HydrophobicContact CB-CE2 3.66Å; A59-F121 HydrophobicContact CB-CG 3.26Å; A59-F121 HydrophobicContact CB-CZ 3.95Å
60	D	50.3	Low	57.1	Low	91 Å²	91	52 Å²	52	49%	0.487	27%	0.271	S	S	.	.	S	Bend	trans	-53.7	-40.3	172.6	48.9	-90.5	0	0	0	115.4
61	D	44.1	Very low	55.6	Low	133 Å²	133	46 Å²	46	71%	0.711	25%	0.25	S	S	*	.			trans	-129.3	102.6	-159.3	-73.3	-46.6	0	0	0	110.3	A59	A59-D61 VanDerWaalsContact C-N 3.33Å; A59-D61 PolarHBondContact O-N 2.78Å
62	C	42.3	Very low	54	Low	49 Å²	49	49 Å²	49	33%	0.331	26%	0.263	S	S	.	.			trans	-131.8	142.7	170.5	-162.3	0	0	0	0	111.5	L64 I81	C62-L64 PolarHBondContact O-N 3.48Å; C62-I81 HydrophobicContact CB-CD1 3.61Å; C62-I81 HydrophobicContact CB-CG1 3.81Å
63	F	35.6	Very low	52.8	Low	170 Å²	170	48.7 Å²	48.7	75%	0.746	26%	0.258	S	S	*	.	S	Bend	trans	-82.4	-5.5	-175	-155.2	-96.9	0	0	0	114.2
64	L	37	Very low	51.5	Low	71 Å²	71	54.7 Å²	54.7	37%	0.372	29%	0.286	S	S	.	.	S	Bend	trans	-147.2	151.6	178.2	-117.2	104.7	0	0	0	113	C62 M66 Y114	C62-L64 PolarHBondContact O-N 3.48Å; L64-M66 PolarHBondContact O-N 3.29Å; L64-M66 VanDerWaalsContact O-N 3.1Å; L64-Y114 WeakPolarHBondContact CD2-O 3.4Å
65	P	37.7	Very low	50.6	Low	52 Å²	52	60.5 Å²	60.5	34%	0.338	32%	0.318	S	S	.	.			trans	-89.2	83.1	-159.7	36.7	-32.7	0	0	0	112	V67	P65-V67 VanDerWaalsContact C-N 3.28Å; P65-V67 HydrophobicContact CB-CG2 3.52Å
66	M	42	Very low	49.7	Very low	29 Å²	29	61.3 Å²	61.3	14%	0.143	32%	0.324	C	S	.	.			trans	-94.8	77.7	148.6	-74.4	-166.1	59.4	0	0	107.1	V32 L64 F98 F117	V32-M66 HydrophobicContact CG2-SD 4.29Å; L64-M66 PolarHBondContact O-N 3.29Å; L64-M66 VanDerWaalsContact O-N 3.1Å; M66-F98 HydrophobicContact CE-CB 3.9Å; M66-F117 HydrophobicContact CB-CE1 4.27Å; M66-F117 HydrophobicContact CB-CZ 3.75Å; M66-F117 HydrophobicContact CE-CE2 4.48Å; M66-F117 HydrophobicContact CE-CZ 4.25Å; M66-F117 HydrophobicContact CG-CE2 4.44Å; M66-F117 HydrophobicContact CG-CZ 3.85Å; M66-F117 HydrophobicContact SD-CE2 3.42Å; M66-F117 WeakPolarHBondContact SD-CE2 3.48Å; M66-F117 HydrophobicContact SD-CZ 3.32Å; M66-F117 WeakPolarHBondContact SD-CZ 3.32Å
67	V	44.4	Very low	49.2	Very low	26 Å²	26	65.3 Å²	65.3	16%	0.158	35%	0.353	C	S	.	.			trans	-89.2	105.2	-174.6	175.4	0	0	0	0	106.8	P65 V79 L103	P65-V67 VanDerWaalsContact C-N 3.28Å; P65-V67 HydrophobicContact CB-CG2 3.52Å; V67-V79 HydrophobicContact CB-CG1 3.56Å; V67-V79 HydrophobicContact CG1-CB 3.72Å; V67-V79 HydrophobicContact CG1-CG1 3.11Å; V67-V79 HydrophobicContact CG1-CG2 3.31Å; V67-V79 HydrophobicContact CG2-CG1 3.46Å; V67-V79 VanDerWaalsContact CG2-CG1 3.46Å; V67-L103 HydrophobicContact CB-CD1 4.37Å; V67-L103 HydrophobicContact CG1-CD1 3.66Å
68	A	42.6	Very low	48.5	Very low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.2	162.9	0	0	0	0	0	108.3	I80 A82 D101	A68-I80 PolarHBondContact N-O 2.9Å; A68-I80 PolarHBondContact O-N 2.96Å; A68-I80 VanDerWaalsContact O-N 3.15Å; A68-A82 HydrophobicContact CB-CB 3.67Å; A68-D101 HydrophobicContact CB-CB 4.23Å
69	S	44.9	Very low	48.1	Very low	40 Å²	40	73.6 Å²	73.6	28%	0.28	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	147.5	164.1	44.9	0	0	0	0	109.3	P71	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.21Å
70	D	51.8	Low	48.1	Very low	24 Å²	24	73.6 Å²	73.6	13%	0.128	40%	0.397	C	S	.	.			trans	-50.1	113.9	174.9	-171.7	-15.4	0	0	0	110.5	F72 D73 Q78 I80	D70-F72 PolarHBondContact O-N 3.44Å; D70-F72 VanDerWaalsContact O-N 3.13Å; D70-F72 WeakPolarHBondContact OD1-CB 3.23Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.23Å; D70-F72 PolarHBondContact OD1-N 3.27Å; D70-D73 CarbonylContact O-C 3.49Å; D70-D73 PolarHBondContact O-N 3.2Å; D70-D73 VanDerWaalsContact O-N 3.17Å; D70-Q78 PolarHBondContact N-O 3.06Å; D70-I80 HydrophobicContact CB-CD1 4.28Å
71	P	46.5	Very low	48.3	Very low	54 Å²	54	69.7 Å²	69.7	35%	0.351	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.7	-177.3	28.6	-29.8	0	0	0	112.1	S69 I80	S69-P71 VanDerWaalsContact O-CD 3.32Å; S69-P71 WeakPolarHBondContact O-CD 3.21Å; P71-I80 VanDerWaalsContact CD-CD1 3.42Å; P71-I80 HydrophobicContact CG-CD1 4.44Å
72	F	50.6	Low	49.1	Very low	71 Å²	71	63.8 Å²	63.8	31%	0.311	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-14.2	175.3	-51.4	-63.3	0	0	0	113.7	H56 N58 D70	H56-F72 HydrophobicContact CB-CE1 4.14Å; H56-F72 HydrophobicContact CB-CE2 3.93Å; H56-F72 HydrophobicContact CB-CZ 3.23Å; H56-F72 AromaticContact CD2-CE1 3.27Å; H56-F72 WeakPolarHBondContact CD2-CE1 3.42Å; H56-F72 AromaticContact CD2-CZ 3.23Å; H56-F72 WeakPolarHBondContact CD2-CZ 3.23Å; H56-F72 AromaticContact CG-CE1 3.9Å; H56-F72 AromaticContact CG-CZ 3.32Å; N58-F72 WeakPolarHBondContact ND2-CD2 3.32Å; N58-F72 WeakPolarHBondContact ND2-CE2 3.26Å; N58-F72 WeakPolarHBondContact OD1-CE2 3.37Å; D70-F72 PolarHBondContact O-N 3.44Å; D70-F72 VanDerWaalsContact O-N 3.13Å; D70-F72 WeakPolarHBondContact OD1-CB 3.23Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.23Å; D70-F72 PolarHBondContact OD1-N 3.27Å
73	D	57	Low	50.5	Low	65 Å²	65	61.6 Å²	61.6	35%	0.348	33%	0.33	S	S	.	.			trans	-146.3	101.4	-179.8	-178.2	5.3	0	0	0	110.9	D70 N75 S76	D70-D73 CarbonylContact O-C 3.49Å; D70-D73 PolarHBondContact O-N 3.2Å; D70-D73 VanDerWaalsContact O-N 3.17Å; D73-N75 PolarHBondContact O-N 3.04Å; D73-N75 PolarHBondContact OD1-N 3.38Å; D73-S76 VanDerWaalsContact O-CB 3.28Å; D73-S76 WeakPolarHBondContact O-CB 3.12Å; D73-S76 PolarHBondContact O-N 3.5Å; D73-S76 PolarHBondContact OD1-N 2.98Å
74	Q	55.3	Low	52.4	Low	188 Å²	188	53.9 Å²	53.9	88%	0.879	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16	178.7	-66	-176.7	-7.2	0	0	113.9
75	N	60.1	Low	54.4	Low	149 Å²	149	50.5 Å²	50.5	80%	0.797	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-4	176.8	-57.9	-61.5	0	0	0	112.9	D73 P77	D73-N75 PolarHBondContact O-N 3.04Å; D73-N75 PolarHBondContact OD1-N 3.38Å; N75-P77 WeakPolarHBondContact O-CD 3.04Å
76	S	54.1	Low	56.7	Low	19 Å²	19	49.7 Å²	49.7	13%	0.133	27%	0.27	C	S	.	.			trans	-69.2	126.1	-178.4	-179.4	0	0	0	0	109.9	D73 Q78	D73-S76 VanDerWaalsContact O-CB 3.28Å; D73-S76 WeakPolarHBondContact O-CB 3.12Å; D73-S76 PolarHBondContact O-N 3.5Å; D73-S76 PolarHBondContact OD1-N 2.98Å; S76-Q78 PolarHBondContact O-N 2.9Å; S76-Q78 WeakPolarHBondContact OG-CB 3.28Å; S76-Q78 PolarHBondContact OG-N 2.86Å
77	P	56.6	Low	58.8	Low	127 Å²	127	49.6 Å²	49.6	83%	0.825	27%	0.269	S	S	*	.			trans	-76.1	-0.7	172.6	34.3	-36	0	0	0	111.8	N75	N75-P77 WeakPolarHBondContact O-CD 3.04Å
78	Q	51.4	Low	60.7	Low	103 Å²	103	48.9 Å²	48.9	48%	0.481	26%	0.264	S	S	.	.			trans	-76.3	131.7	-176.9	-64.7	-168.6	-13.4	0	0	111.1	D70 S76 I80	D70-Q78 PolarHBondContact N-O 3.06Å; S76-Q78 PolarHBondContact O-N 2.9Å; S76-Q78 WeakPolarHBondContact OG-CB 3.28Å; S76-Q78 PolarHBondContact OG-N 2.86Å; Q78-I80 HydrophobicContact CB-CG2 4.21Å
79	V	51.2	Low	62.6	Low	80 Å²	80	52.4 Å²	52.4	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.5	170.2	162	0	0	0	0	107	V67	V67-V79 HydrophobicContact CB-CG1 3.56Å; V67-V79 HydrophobicContact CG1-CB 3.72Å; V67-V79 HydrophobicContact CG1-CG1 3.11Å; V67-V79 HydrophobicContact CG1-CG2 3.31Å; V67-V79 HydrophobicContact CG2-CG1 3.46Å; V67-V79 VanDerWaalsContact CG2-CG1 3.46Å
80	I	53.8	Low	64.2	Low	5 Å²	5	58 Å²	58	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	164.2	-179.7	69.1	168.4	0	0	0	111.5	N58 A68 D70 P71 Q78 A82	N58-I80 HydrophobicContact CB-CD1 4.11Å; N58-I80 VanDerWaalsContact ND2-CD1 3.26Å; N58-I80 WeakPolarHBondContact ND2-CD1 3.5Å; N58-I80 VanDerWaalsContact OD1-CD1 3.23Å; N58-I80 WeakPolarHBondContact OD1-CD1 3.37Å; A68-I80 PolarHBondContact N-O 2.9Å; A68-I80 PolarHBondContact O-N 2.96Å; A68-I80 VanDerWaalsContact O-N 3.15Å; D70-I80 HydrophobicContact CB-CD1 4.28Å; P71-I80 VanDerWaalsContact CD-CD1 3.42Å; P71-I80 HydrophobicContact CG-CD1 4.44Å; Q78-I80 HydrophobicContact CB-CG2 4.21Å; I80-A82 PolarHBondContact O-N 2.87Å
81	I	55.6	Low	65.6	Low	8 Å²	8	65.2 Å²	65.2	4%	0.041	34%	0.34	C	S	.	.			trans	-71.8	114.2	166.6	-53.8	178.7	0	0	0	108.5	L57 A59 C62 C83 F98 F117	L57-I81 VanDerWaalsContact O-O 3.06Å; A59-I81 HydrophobicContact CB-CB 4.45Å; A59-I81 HydrophobicContact CB-CD1 3.72Å; A59-I81 HydrophobicContact CB-CG1 4.15Å; C62-I81 HydrophobicContact CB-CD1 3.61Å; C62-I81 HydrophobicContact CB-CG1 3.81Å; I81-C83 HydrophobicContact CG2-CB 4.02Å; I81-C83 PolarHBondContact O-N 2.85Å; I81-F98 HydrophobicContact CG2-CD1 4.21Å; I81-F98 HydrophobicContact CG2-CE1 4.41Å; I81-F117 HydrophobicContact CB-CE1 4.46Å; I81-F117 HydrophobicContact CD1-CD1 4.03Å; I81-F117 HydrophobicContact CD1-CE1 3.98Å; I81-F117 HydrophobicContact CG1-CE1 4.15Å; I81-F117 HydrophobicContact CG2-CD1 4.29Å; I81-F117 HydrophobicContact CG2-CE1 3.53Å; I81-F117 HydrophobicContact CG2-CZ 4.04Å
82	A	61.2	Low	67.4	Low	9 Å²	9	64.3 Å²	64.3	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	87.3	168.5	0	0	0	0	0	110.1	A68 I80 R99	A68-A82 HydrophobicContact CB-CB 3.67Å; I80-A82 PolarHBondContact O-N 2.87Å; A82-R99 WeakPolarHBondContact CB-O 3.32Å; A82-R99 PolarHBondContact O-N 3.47Å
83	C	72.2	Confident	69	Low	3 Å²	3	61.7 Å²	61.7	2%	0.02	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139	171.7	-178	0	0	0	0	110.3	H56 L57 I81 Q97 F98	H56-C83 CarbonylContact C-O 3.56Å; H56-C83 WeakPolarHBondContact CA-O 3.18Å; L57-C83 HydrophobicContact CB-CB 4.02Å; L57-C83 PolarHBondContact N-O 2.86Å; I81-C83 HydrophobicContact CG2-CB 4.02Å; I81-C83 PolarHBondContact O-N 2.85Å; C83-Q97 CarbonylContact C-O 3.6Å; C83-Q97 WeakPolarHBondContact CA-O 3.41Å; C83-F98 HydrophobicContact CB-CD1 3.69Å; C83-F98 HydrophobicContact CB-CE1 3.79Å; C83-F98 HydrophobicContact CB-CG 4.46Å
84	S	75.2	Confident	70.3	Confident	9 Å²	9	59 Å²	59	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	175.8	-57	0	0	0	0	109.2	C55 H56 Q97	C55-S84 CarbonylContact O-C 3.59Å; C55-S84 WeakPolarHBondContact O-CA 3.31Å; H56-S84 PolarHBondContact CE1-OG 3.33Å; H56-S84 PolarHBondContact ND1-OG 2.85Å; S84-Q97 PolarHBondContact N-O 2.75Å; S84-Q97 PolarHBondContact O-N 3.42Å
85	A	79.4	Confident	71.6	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.5	171.4	0	0	0	0	0	110	L54 C55 L57 V95 L96 W125	L54-A85 WeakPolarHBondContact CA-O 3.46Å; L54-A85 HydrophobicContact CB-CB 4.42Å; L54-A85 VanDerWaalsContact CB-O 3.27Å; L54-A85 WeakPolarHBondContact CB-O 3.47Å; L54-A85 HydrophobicContact CD2-CB 4.13Å; L54-A85 PolarHBondContact N-O 3.45Å; C55-A85 PolarHBondContact N-O 2.66Å; C55-A85 PolarHBondContact O-N 3.29Å; L57-A85 HydrophobicContact CD1-CB 4.41Å; L57-A85 HydrophobicContact CG-CB 4.47Å; A85-V95 WeakPolarHBondContact CA-O 3.3Å; A85-L96 HydrophobicContact CB-CD2 3.84Å; A85-W125 HydrophobicContact CB-CH2 4.38Å; A85-W125 HydrophobicContact CB-CZ2 4.19Å
86	Y	84.2	Confident	72.5	Confident	35 Å²	35	43 Å²	43	14%	0.137	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.3	174.1	-62.5	-101.9	0	0	0	108	I46 P52 F53 I94 V95 Q97	I46-Y86 HydrophobicContact CD1-CD1 4.24Å; I46-Y86 HydrophobicContact CD1-CD2 3.49Å; I46-Y86 VanDerWaalsContact CD1-CD2 3.49Å; I46-Y86 HydrophobicContact CD1-CE1 4.31Å; I46-Y86 HydrophobicContact CD1-CE2 3.57Å; I46-Y86 HydrophobicContact CD1-CG 3.85Å; I46-Y86 HydrophobicContact CG1-CD1 4.37Å; I46-Y86 HydrophobicContact CG1-CD2 4.23Å; I46-Y86 HydrophobicContact CG1-CG 4.1Å; I46-Y86 HydrophobicContact CG2-CD1 3.79Å; I46-Y86 HydrophobicContact CG2-CE1 3.86Å; I46-Y86 HydrophobicContact CG2-CG 4.37Å; P52-Y86 VanDerWaalsContact O-CA 3.3Å; P52-Y86 WeakPolarHBondContact O-CA 3.46Å; P52-Y86 WeakPolarHBondContact O-CB 3.19Å; F53-Y86 HydrophobicContact CB-CD1 4.11Å; F53-Y86 HydrophobicContact CB-CE1 3.96Å; F53-Y86 HydrophobicContact CD2-CD1 4.41Å; F53-Y86 AromaticContact CD2-CE1 3.87Å; F53-Y86 HydrophobicContact CD2-CE1 3.87Å; F53-Y86 AromaticContact CD2-CZ 3.95Å; F53-Y86 HydrophobicContact CG-CE1 4.43Å; Y86-I94 CarbonylContact O-C 3.57Å; Y86-I94 WeakPolarHBondContact O-CA 3.41Å; Y86-V95 PolarHBondContact N-O 2.97Å; Y86-V95 PolarHBondContact O-N 3.11Å; Y86-Q97 HydrophobicContact CD2-CB 4.35Å; Y86-Q97 HydrophobicContact CE2-CB 3.82Å; Y86-Q97 PolarHBondContact OH-OE1 2.88Å
87	Y	86.5	Confident	73.6	Confident	27 Å²	27	42.6 Å²	42.6	11%	0.106	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.8	-179.3	177.5	-122	0	0	0	111.4	I21 I51 P52 P89 N92 I93 I94	I21-Y87 HydrophobicContact CB-CE1 4.24Å; I21-Y87 HydrophobicContact CD1-CD1 3.84Å; I21-Y87 HydrophobicContact CD1-CE1 3.86Å; I21-Y87 HydrophobicContact CG1-CD1 4.15Å; I21-Y87 HydrophobicContact CG1-CE1 3.65Å; I21-Y87 HydrophobicContact CG2-CD1 4.11Å; I21-Y87 HydrophobicContact CG2-CD2 3.82Å; I21-Y87 HydrophobicContact CG2-CE1 3.92Å; I21-Y87 HydrophobicContact CG2-CE2 3.62Å; I21-Y87 HydrophobicContact CG2-CG 4.05Å; I51-Y87 VanDerWaalsContact CG2-C 3.47Å; P52-Y87 VanDerWaalsContact CD-O 3.29Å; P52-Y87 WeakPolarHBondContact CD-O 3.29Å; P52-Y87 PolarHBondContact O-N 3Å; Y87-P89 HydrophobicContact CD1-CB 4.42Å; Y87-P89 HydrophobicContact CD1-CG 3.86Å; Y87-P89 HydrophobicContact CE1-CB 3.82Å; Y87-P89 HydrophobicContact CE1-CG 3.75Å; Y87-P89 WeakPolarHBondContact O-CD 3.4Å; Y87-N92 PolarHBondContact OH-OD1 2.8Å; Y87-I93 CarbonylContact C-O 3.41Å; Y87-I93 WeakPolarHBondContact CA-O 3.3Å; Y87-I93 VanDerWaalsContact CD2-O 3.31Å; Y87-I93 WeakPolarHBondContact CD2-O 3.38Å; Y87-I94 HydrophobicContact CD2-CG1 3.54Å; Y87-I94 HydrophobicContact CE2-CG1 4.05Å; Y87-I94 HydrophobicContact CG-CG1 4.49Å
88	C	85.7	Confident	74.3	Confident	10 Å²	10	37 Å²	37	7%	0.068	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	100.4	172.5	-172.7	0	0	0	0	108.6	I51 D90 R91 N92 I93	I51-C88 HydrophobicContact CG1-CB 4.42Å; I51-C88 HydrophobicContact CG2-CB 3.93Å; C88-D90 PolarHBondContact O-N 3.01Å; C88-R91 HydrophobicContact CB-CB 4.49Å; C88-R91 PolarHBondContact O-N 2.81Å; C88-N92 WeakPolarHBondContact O-CA 3.3Å; C88-N92 PolarHBondContact O-N 2.8Å; C88-I93 HydrophobicContact CB-CB 4.2Å; C88-I93 PolarHBondContact N-O 2.95Å; C88-I93 PolarHBondContact O-N 3.13Å; C88-I93 VanDerWaalsContact O-N 3.13Å
89	P	80.9	Confident	74.6	Confident	74 Å²	74	37.1 Å²	37.1	48%	0.481	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-61.8	-43.7	-176.9	-20.8	32.1	0	0	0	112.5	Y87 R91 N92	Y87-P89 HydrophobicContact CD1-CB 4.42Å; Y87-P89 HydrophobicContact CD1-CG 3.86Å; Y87-P89 HydrophobicContact CE1-CB 3.82Å; Y87-P89 HydrophobicContact CE1-CG 3.75Å; Y87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-R91 PolarHBondContact O-N 2.76Å; P89-R91 VanDerWaalsContact O-N 3.12Å; P89-N92 PolarHBondContact O-N 2.83Å; P89-N92 VanDerWaalsContact O-N 3.16Å
90	D	80.2	Confident	74.5	Confident	159 Å²	159	35.8 Å²	35.8	85%	0.85	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-62.2	-26.2	-175.5	-59.2	-25.8	0	0	0	113.2	C88	C88-D90 PolarHBondContact O-N 3.01Å
91	R	80.7	Confident	73.8	Confident	174 Å²	174	39.2 Å²	39.2	66%	0.657	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-112.8	-2.6	-179	-60.8	-174.8	179.5	-116.9	-0.3	113.1	C88 P89 I93	C88-R91 HydrophobicContact CB-CB 4.49Å; C88-R91 PolarHBondContact O-N 2.81Å; P89-R91 PolarHBondContact O-N 2.76Å; P89-R91 VanDerWaalsContact O-N 3.12Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 HydrophobicContact CB-CD1 3.7Å; R91-I93 HydrophobicContact CB-CG1 3.74Å; R91-I93 WeakPolarHBondContact O-CG1 3.18Å; R91-I93 PolarHBondContact O-N 2.64Å
92	N	83.6	Confident	72.7	Confident	35 Å²	35	44.9 Å²	44.9	19%	0.187	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.1	-172.9	-148.5	30.5	0	0	0	112.6	I21 A23 N24 S25 L26 Y87 C88 P89	I21-N92 PolarHBondContact O-OD1 3.18Å; A23-N92 PolarHBondContact O-ND2 3.29Å; N24-N92 PolarHBondContact O-ND2 3.13Å; S25-N92 CarbonylContact C-O 3.58Å; S25-N92 WeakPolarHBondContact CA-ND2 3.45Å; S25-N92 VanDerWaalsContact CA-O 3.29Å; S25-N92 WeakPolarHBondContact CA-O 3.31Å; S25-N92 PolarHBondContact N-ND2 2.86Å; S25-N92 PolarHBondContact OG-ND2 3.07Å; S25-N92 PolarHBondContact OG-O 3.5Å; S25-N92 PolarHBondContact OG-OD1 2.9Å; L26-N92 PolarHBondContact N-O 2.83Å; Y87-N92 PolarHBondContact OH-OD1 2.8Å; C88-N92 WeakPolarHBondContact O-CA 3.3Å; C88-N92 PolarHBondContact O-N 2.8Å; P89-N92 PolarHBondContact O-N 2.83Å; P89-N92 VanDerWaalsContact O-N 3.16Å
93	I	84	Confident	71.6	Confident	17 Å²	17	47.6 Å²	47.6	9%	0.087	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.4	-178.9	-57.1	176.6	0	0	0	109.1	L26 I28 M49 Y87 C88 R91 V95	L26-I93 HydrophobicContact CB-CG1 4.28Å; L26-I93 HydrophobicContact CD2-CD1 4.43Å; L26-I93 HydrophobicContact CD2-CG1 4.27Å; L26-I93 CarbonylContact O-C 3.57Å; L26-I93 WeakPolarHBondContact O-CA 3.44Å; I28-I93 HydrophobicContact CD1-CG2 3.81Å; I28-I93 HydrophobicContact CG1-CG2 4.25Å; M49-I93 HydrophobicContact CE-CD1 3.98Å; Y87-I93 CarbonylContact C-O 3.41Å; Y87-I93 WeakPolarHBondContact CA-O 3.3Å; Y87-I93 VanDerWaalsContact CD2-O 3.31Å; Y87-I93 WeakPolarHBondContact CD2-O 3.38Å; C88-I93 HydrophobicContact CB-CB 4.2Å; C88-I93 PolarHBondContact N-O 2.95Å; C88-I93 PolarHBondContact O-N 3.13Å; C88-I93 VanDerWaalsContact O-N 3.13Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 HydrophobicContact CB-CD1 3.7Å; R91-I93 HydrophobicContact CB-CG1 3.74Å; R91-I93 WeakPolarHBondContact O-CG1 3.18Å; R91-I93 PolarHBondContact O-N 2.64Å; I93-V95 HydrophobicContact CG2-CG2 3.76Å
94	I	84.1	Confident	69.6	Low	8 Å²	8	50 Å²	50	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129	170.1	-59.1	167.9	0	0	0	107.9	I21 L26 L27 I28 Y86 Y87 W125	I21-I94 HydrophobicContact CG2-CD1 3.87Å; I21-I94 HydrophobicContact CG2-CG1 4.26Å; L26-I94 PolarHBondContact O-N 2.78Å; L27-I94 CarbonylContact C-O 3.58Å; L27-I94 WeakPolarHBondContact CA-O 3.42Å; L27-I94 HydrophobicContact CD1-CB 4.09Å; L27-I94 HydrophobicContact CD1-CG2 3.84Å; I28-I94 PolarHBondContact N-O 3.38Å; Y86-I94 CarbonylContact O-C 3.57Å; Y86-I94 WeakPolarHBondContact O-CA 3.41Å; Y87-I94 HydrophobicContact CD2-CG1 3.54Å; Y87-I94 HydrophobicContact CE2-CG1 4.05Å; Y87-I94 HydrophobicContact CG-CG1 4.49Å; I94-W125 HydrophobicContact CG2-CH2 4.17Å
95	V	82.6	Confident	67.5	Low	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.6	178.3	-171.5	0	0	0	0	109.6	I28 V42 L45 I46 I51 A85 Y86 I93	I28-V95 HydrophobicContact CB-CB 4.49Å; I28-V95 HydrophobicContact CB-CG1 4.23Å; I28-V95 HydrophobicContact CB-CG2 4.2Å; I28-V95 HydrophobicContact CD1-CG2 4.12Å; I28-V95 HydrophobicContact CG1-CG2 4.5Å; I28-V95 HydrophobicContact CG2-CG1 4.26Å; V42-V95 HydrophobicContact CB-CG1 4.3Å; V42-V95 HydrophobicContact CG1-CG1 3.54Å; V42-V95 HydrophobicContact CG2-CG1 4Å; L45-V95 HydrophobicContact CD2-CG2 3.85Å; I46-V95 HydrophobicContact CD1-CG1 4.26Å; I46-V95 HydrophobicContact CG1-CB 4.46Å; I46-V95 HydrophobicContact CG1-CG1 4.2Å; I51-V95 HydrophobicContact CD1-CG2 3.57Å; A85-V95 WeakPolarHBondContact CA-O 3.3Å; Y86-V95 PolarHBondContact N-O 2.97Å; Y86-V95 PolarHBondContact O-N 3.11Å; I93-V95 HydrophobicContact CG2-CG2 3.76Å
96	L	80.4	Confident	65.4	Low	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.6	172.3	-62.8	-177.8	0	0	0	110	L27 I28 L29 P30 L57 A85 F98 L122 W125	L27-L96 HydrophobicContact CD1-CD1 4.23Å; L27-L96 HydrophobicContact CD1-CG 4.15Å; I28-L96 PolarHBondContact O-N 3.4Å; L29-L96 HydrophobicContact CD1-CB 4.31Å; L29-L96 HydrophobicContact CD1-CD1 3.7Å; P30-L96 WeakPolarHBondContact CD-O 3.38Å; P30-L96 WeakPolarHBondContact CG-O 3.34Å; L57-L96 HydrophobicContact CD1-CD2 3.79Å; A85-L96 HydrophobicContact CB-CD2 3.84Å; L96-F98 HydrophobicContact CB-CE2 4.04Å; L96-L122 HydrophobicContact CD1-CD1 3.67Å; L96-W125 HydrophobicContact CD1-CZ3 3.99Å; L96-W125 HydrophobicContact CD2-CH2 3.68Å; L96-W125 HydrophobicContact CD2-CZ3 3.83Å; L96-W125 HydrophobicContact CG-CZ3 4.38Å
97	Q	76.3	Confident	63.2	Low	12 Å²	12	70 Å²	70	6%	0.056	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.3	176.3	-177.1	-169.6	53.5	0	0	108.3	V42 D43 I46 C83 S84 Y86	V42-Q97 HydrophobicContact CG1-CB 3.89Å; V42-Q97 HydrophobicContact CG1-CG 4.15Å; D43-Q97 PolarHBondContact OD1-NE2 3.24Å; I46-Q97 HydrophobicContact CD1-CB 4.23Å; C83-Q97 CarbonylContact C-O 3.6Å; C83-Q97 WeakPolarHBondContact CA-O 3.41Å; S84-Q97 PolarHBondContact N-O 2.75Å; S84-Q97 PolarHBondContact O-N 3.42Å; Y86-Q97 HydrophobicContact CD2-CB 4.35Å; Y86-Q97 HydrophobicContact CE2-CB 3.82Å; Y86-Q97 PolarHBondContact OH-OE1 2.88Å
98	F	70.7	Confident	60.5	Low	9 Å²	9	78.8 Å²	78.8	4%	0.039	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	176.7	-59.1	-99.2	0	0	0	109.1	L29 P30 Q39 M66 I81 C83 L96 F117	L29-F98 HydrophobicContact CD1-CE2 3.7Å; L29-F98 HydrophobicContact CD1-CZ 3.84Å; P30-F98 HydrophobicContact CG-CD2 3.83Å; P30-F98 HydrophobicContact CG-CE2 4.12Å; Q39-F98 PolarHBondContact OE1-O 3.5Å; M66-F98 HydrophobicContact CE-CB 3.9Å; I81-F98 HydrophobicContact CG2-CD1 4.21Å; I81-F98 HydrophobicContact CG2-CE1 4.41Å; C83-F98 HydrophobicContact CB-CD1 3.69Å; C83-F98 HydrophobicContact CB-CE1 3.79Å; C83-F98 HydrophobicContact CB-CG 4.46Å; L96-F98 HydrophobicContact CB-CE2 4.04Å; F98-F117 HydrophobicContact CB-CE2 4.1Å; F98-F117 HydrophobicContact CB-CZ 4.43Å; F98-F117 HydrophobicContact CD1-CD1 4.42Å; F98-F117 AromaticContact CD1-CD2 3.65Å; F98-F117 HydrophobicContact CD1-CD2 3.65Å; F98-F117 HydrophobicContact CD1-CE1 4.02Å; F98-F117 AromaticContact CD1-CE2 3.14Å; F98-F117 HydrophobicContact CD1-CE2 3.14Å; F98-F117 HydrophobicContact CD1-CG 4.25Å; F98-F117 AromaticContact CD1-CZ 3.34Å; F98-F117 HydrophobicContact CD1-CZ 3.34Å; F98-F117 HydrophobicContact CD2-CE2 4.27Å; F98-F117 HydrophobicContact CE1-CB 4.46Å; F98-F117 HydrophobicContact CE1-CD1 4.04Å; F98-F117 AromaticContact CE1-CD2 3.42Å; F98-F117 HydrophobicContact CE1-CD2 3.42Å; F98-F117 VanDerWaalsContact CE1-CD2 3.42Å; F98-F117 HydrophobicContact CE1-CE1 4.08Å; F98-F117 AromaticContact CE1-CE2 3.47Å; F98-F117 HydrophobicContact CE1-CE2 3.47Å; F98-F117 VanDerWaalsContact CE1-CE2 3.47Å; F98-F117 AromaticContact CE1-CG 3.7Å; F98-F117 HydrophobicContact CE1-CG 3.7Å; F98-F117 AromaticContact CE1-CZ 3.78Å; F98-F117 HydrophobicContact CE1-CZ 3.78Å; F98-F117 HydrophobicContact CE2-CD2 4.32Å; F98-F117 HydrophobicContact CG-CD2 4.18Å; F98-F117 AromaticContact CG-CE2 3.59Å; F98-F117 HydrophobicContact CG-CE2 3.59Å; F98-F117 HydrophobicContact CG-CZ 4.1Å; F98-F117 AromaticContact CZ-CD2 3.78Å; F98-F117 HydrophobicContact CZ-CD2 3.78Å; F98-F117 HydrophobicContact CZ-CE2 4.15Å; F98-F117 HydrophobicContact CZ-CG 4.18Å
99	R	58.6	Low	57.8	Low	106 Å²	106	86.4 Å²	86.4	40%	0.4	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.2	176.8	-67	-70	-176.6	175.9	-8.1	109.4	D43 A82	D43-R99 IonicContact OD1-CZ 3.53Å; D43-R99 IonicContact OD1-NH2 2.81Å; D43-R99 PolarHBondContact OD1-NH2 3.38Å; D43-R99 IonicContact OD2-CZ 3.86Å; D43-R99 IonicContact OD2-NH1 3.61Å; D43-R99 IonicContact OD2-NH2 2.76Å; D43-R99 PolarHBondContact OD2-NH2 3.33Å; A82-R99 WeakPolarHBondContact CB-O 3.32Å; A82-R99 PolarHBondContact O-N 3.47Å
100	S	49.4	Very low	55.4	Low	52 Å²	52	86 Å²	86	36%	0.364	45%	0.447	S	S	.	.			trans	-113.3	108.3	161.7	157	0	0	0	0	104.2
101	D	37.6	Very low	52.9	Low	76 Å²	76	89.8 Å²	89.8	41%	0.406	45%	0.449	S	S	.	.			trans	-72.8	140.1	167.9	-74	-31.1	0	0	0	108.6	A68 L103	A68-D101 HydrophobicContact CB-CB 4.23Å; D101-L103 PolarHBondContact O-N 3.33Å
102	C	34.2	Very low	50.5	Low	127 Å²	127	86.9 Å²	86.9	86%	0.858	45%	0.446	S	S	*	.			trans	-61.2	108.5	171	-71.9	0	0	0	0	108.6	G104	C102-G104 PolarHBondContact O-N 3.03Å
103	L	36.6	Very low	48	Very low	66 Å²	66	86.4 Å²	86.4	35%	0.346	45%	0.449	S	S	.	.			trans	-59.2	109.2	168.2	-75.4	153.7	0	0	0	108.4	V67 D101 N105	V67-L103 HydrophobicContact CB-CD1 4.37Å; V67-L103 HydrophobicContact CG1-CD1 3.66Å; D101-L103 PolarHBondContact O-N 3.33Å; L103-N105 PolarHBondContact O-N 3.06Å
104	G	30.7	Very low	45.7	Very low	55 Å²	55	90.8 Å²	90.8	57%	0.567	47%	0.466	S	S	*	.			trans	-59.3	131.1	176.2	0	0	0	0	0	111.1	C102 H106	C102-G104 PolarHBondContact O-N 3.03Å; G104-H106 PolarHBondContact O-N 3.15Å
105	N	32.1	Very low	43.4	Very low	170 Å²	170	91.1 Å²	91.1	91%	0.909	47%	0.47	S	S	*	.	S	Bend	trans	45	1.1	163.3	-66.9	-12.8	0	0	0	120.8	L103	L103-N105 PolarHBondContact O-N 3.06Å
106	H	35.2	Very low	41.4	Very low	154 Å²	154	92.3 Å²	92.3	71%	0.713	48%	0.477	S	S	*	.			trans	-119.2	100.5	-179.9	-63.9	-61.8	0	0	0	109.8	G104	G104-H106 PolarHBondContact O-N 3.15Å
107	L	36.3	Very low	39.8	Very low	138 Å²	138	93.3 Å²	93.3	72%	0.723	48%	0.481	S	S	*	.			trans	110.7	104.1	162.7	-60	158.5	0	0	0	116.5	Q109	L107-Q109 PolarHBondContact O-N 3.47Å
108	E	30.3	Very low	38.2	Very low	213 Å²	213	96.2 Å²	96.2	100%	0.995	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	17.3	160.1	-71.9	-171.2	135.2	0	0	115
109	Q	28.7	Very low	37.1	Very low	170 Å²	170	96.1 Å²	96.1	79%	0.794	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-2.4	-167.7	-76.2	-168.8	-2.3	0	0	117.5	L107 R111	L107-Q109 PolarHBondContact O-N 3.47Å; Q109-R111 PolarHBondContact O-N 2.85Å; Q109-R111 VanDerWaalsContact O-N 3.07Å
110	V	31.1	Very low	36.6	Very low	64 Å²	64	94.7 Å²	94.7	39%	0.388	50%	0.498	S	S	.	.			trans	-89.8	76.8	175.3	-167.9	0	0	0	0	110.1	L112	V110-L112 PolarHBondContact O-N 2.7Å
111	R	27.9	Very low	36.9	Very low	240 Å²	240	93 Å²	93	91%	0.906	49%	0.485	S	S	*	.			trans	-65.5	103.3	159.2	-78.1	-172.2	-179	-168.2	0.8	107.3	Q109 G113	Q109-R111 PolarHBondContact O-N 2.85Å; Q109-R111 VanDerWaalsContact O-N 3.07Å; R111-G113 PolarHBondContact O-N 2.95Å
112	L	31	Very low	38	Very low	113 Å²	113	89.6 Å²	89.6	59%	0.592	47%	0.466	S	S	*	.			trans	-36.3	109.8	176.2	-77.3	157.6	0	0	0	111.2	V110	V110-L112 PolarHBondContact O-N 2.7Å
113	G	30.5	Very low	39.2	Very low	24 Å²	24	85 Å²	85	25%	0.247	44%	0.436	C	S	.	.			trans	-91	114.9	-178.2	0	0	0	0	0	110.6	R111	R111-G113 PolarHBondContact O-N 2.95Å
114	Y	34.8	Very low	40.3	Very low	110 Å²	110	87 Å²	87	43%	0.431	44%	0.443	S	S	.	.			trans	-56.2	126.9	172.8	-59.1	-59.2	0	0	0	113.6	S33 I34 L64	S33-Y114 WeakPolarHBondContact O-CB 3.4Å; S33-Y114 WeakPolarHBondContact O-CD1 3.3Å; I34-Y114 HydrophobicContact CB-CD1 4.13Å; I34-Y114 HydrophobicContact CB-CE1 3.79Å; I34-Y114 HydrophobicContact CD1-CD1 4.42Å; I34-Y114 HydrophobicContact CD1-CD2 4.11Å; I34-Y114 HydrophobicContact CD1-CE1 4.07Å; I34-Y114 HydrophobicContact CD1-CE2 3.74Å; I34-Y114 HydrophobicContact CD1-CG 4.42Å; I34-Y114 HydrophobicContact CG1-CD1 3.63Å; I34-Y114 HydrophobicContact CG1-CD2 4.09Å; I34-Y114 HydrophobicContact CG1-CE1 3.53Å; I34-Y114 HydrophobicContact CG1-CE2 4.02Å; I34-Y114 HydrophobicContact CG1-CG 3.89Å; I34-Y114 HydrophobicContact CG2-CE1 3.87Å; L64-Y114 WeakPolarHBondContact CD2-O 3.4Å
115	G	36.2	Very low	41.9	Very low	14 Å²	14	84.5 Å²	84.5	14%	0.144	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-167.5	135	177.2	0	0	0	0	0	115	V32	V32-G115 CarbonylContact O-C 3.56Å; V32-G115 VanDerWaalsContact O-C 3.29Å; V32-G115 PolarHBondContact O-N 3Å; V32-G115 VanDerWaalsContact O-N 3.1Å
116	I	40.9	Very low	43.4	Very low	26 Å²	26	76.7 Å²	76.7	13%	0.133	38%	0.375	C	S	.	.			trans	-65.1	133.1	152.1	-87.9	166.9	0	0	0	108.2	T31 Y118 F154 L158	T31-I116 HydrophobicContact CG2-CD1 3.81Å; T31-I116 HydrophobicContact CG2-CG1 3.66Å; I116-Y118 HydrophobicContact CG2-CD2 4.04Å; I116-Y118 HydrophobicContact CG2-CE2 4.41Å; I116-Y118 PolarHBondContact O-N 3.15Å; I116-F154 HydrophobicContact CB-CD2 4.13Å; I116-F154 HydrophobicContact CB-CE2 3.74Å; I116-F154 HydrophobicContact CB-CZ 4.33Å; I116-F154 HydrophobicContact CD1-CD1 3.98Å; I116-F154 HydrophobicContact CD1-CD2 3.83Å; I116-F154 HydrophobicContact CD1-CE1 3.31Å; I116-F154 HydrophobicContact CD1-CE2 3.21Å; I116-F154 HydrophobicContact CD1-CG 4.22Å; I116-F154 HydrophobicContact CD1-CZ 2.92Å; I116-F154 HydrophobicContact CG1-CD2 3.98Å; I116-F154 HydrophobicContact CG1-CE1 4.2Å; I116-F154 HydrophobicContact CG1-CE2 3.17Å; I116-F154 HydrophobicContact CG1-CZ 3.32Å; I116-L158 HydrophobicContact CD1-CB 3.66Å; I116-L158 HydrophobicContact CD1-CD1 3.91Å; I116-L158 HydrophobicContact CD1-CD2 3.75Å; I116-L158 HydrophobicContact CD1-CG 3.93Å
117	F	46.2	Very low	44.8	Very low	21 Å²	21	72.4 Å²	72.4	9%	0.092	36%	0.362	C	S	.	.			trans	-65.8	93.4	173.2	-75.4	-85.9	0	0	0	110.7	M66 I81 F98	M66-F117 HydrophobicContact CB-CE1 4.27Å; M66-F117 HydrophobicContact CB-CZ 3.75Å; M66-F117 HydrophobicContact CE-CE2 4.48Å; M66-F117 HydrophobicContact CE-CZ 4.25Å; M66-F117 HydrophobicContact CG-CE2 4.44Å; M66-F117 HydrophobicContact CG-CZ 3.85Å; M66-F117 HydrophobicContact SD-CE2 3.42Å; M66-F117 WeakPolarHBondContact SD-CE2 3.48Å; M66-F117 HydrophobicContact SD-CZ 3.32Å; M66-F117 WeakPolarHBondContact SD-CZ 3.32Å; I81-F117 HydrophobicContact CB-CE1 4.46Å; I81-F117 HydrophobicContact CD1-CD1 4.03Å; I81-F117 HydrophobicContact CD1-CE1 3.98Å; I81-F117 HydrophobicContact CG1-CE1 4.15Å; I81-F117 HydrophobicContact CG2-CD1 4.29Å; I81-F117 HydrophobicContact CG2-CE1 3.53Å; I81-F117 HydrophobicContact CG2-CZ 4.04Å; F98-F117 HydrophobicContact CB-CE2 4.1Å; F98-F117 HydrophobicContact CB-CZ 4.43Å; F98-F117 HydrophobicContact CD1-CD1 4.42Å; F98-F117 AromaticContact CD1-CD2 3.65Å; F98-F117 HydrophobicContact CD1-CD2 3.65Å; F98-F117 HydrophobicContact CD1-CE1 4.02Å; F98-F117 AromaticContact CD1-CE2 3.14Å; F98-F117 HydrophobicContact CD1-CE2 3.14Å; F98-F117 HydrophobicContact CD1-CG 4.25Å; F98-F117 AromaticContact CD1-CZ 3.34Å; F98-F117 HydrophobicContact CD1-CZ 3.34Å; F98-F117 HydrophobicContact CD2-CE2 4.27Å; F98-F117 HydrophobicContact CE1-CB 4.46Å; F98-F117 HydrophobicContact CE1-CD1 4.04Å; F98-F117 AromaticContact CE1-CD2 3.42Å; F98-F117 HydrophobicContact CE1-CD2 3.42Å; F98-F117 VanDerWaalsContact CE1-CD2 3.42Å; F98-F117 HydrophobicContact CE1-CE1 4.08Å; F98-F117 AromaticContact CE1-CE2 3.47Å; F98-F117 HydrophobicContact CE1-CE2 3.47Å; F98-F117 VanDerWaalsContact CE1-CE2 3.47Å; F98-F117 AromaticContact CE1-CG 3.7Å; F98-F117 HydrophobicContact CE1-CG 3.7Å; F98-F117 AromaticContact CE1-CZ 3.78Å; F98-F117 HydrophobicContact CE1-CZ 3.78Å; F98-F117 HydrophobicContact CE2-CD2 4.32Å; F98-F117 HydrophobicContact CG-CD2 4.18Å; F98-F117 AromaticContact CG-CE2 3.59Å; F98-F117 HydrophobicContact CG-CE2 3.59Å; F98-F117 HydrophobicContact CG-CZ 4.1Å; F98-F117 AromaticContact CZ-CD2 3.78Å; F98-F117 HydrophobicContact CZ-CD2 3.78Å; F98-F117 HydrophobicContact CZ-CE2 4.15Å; F98-F117 HydrophobicContact CZ-CG 4.18Å
118	Y	43.5	Very low	46.2	Very low	73 Å²	73	67.6 Å²	67.6	29%	0.286	34%	0.34	S	S	.	.			trans	-88.3	91.3	151.3	-97	-92.2	0	0	0	107.6	I116 R157 W161	I116-Y118 HydrophobicContact CG2-CD2 4.04Å; I116-Y118 HydrophobicContact CG2-CE2 4.41Å; I116-Y118 PolarHBondContact O-N 3.15Å; Y118-R157 HydrophobicContact CD2-CB 4.26Å; Y118-R157 HydrophobicContact CE2-CB 3.5Å; Y118-R157 HydrophobicContact CE2-CG 4.39Å; Y118-R157 WeakPolarHBondContact OH-CA 3.25Å; Y118-R157 PolarHBondContact OH-O 3.43Å; Y118-W161 HydrophobicContact CE1-CB 3.78Å; Y118-W161 HydrophobicContact CE1-CG 4.38Å; Y118-W161 HydrophobicContact CE2-CB 4.03Å; Y118-W161 WeakPolarHBondContact OH-CB 3.45Å; Y118-W161 PolarHBondContact OH-N 3.17Å; Y118-W161 VanDerWaalsContact OH-N 3.09Å
119	S	47.1	Very low	47.6	Very low	6 Å²	6	58.1 Å²	58.1	4%	0.042	30%	0.297	C	S	.	.			trans	-122.4	132.7	158.7	64.6	0	0	0	0	107.9	F121 L122 C123	S119-F121 PolarHBondContact O-N 3.43Å; S119-F121 WeakPolarHBondContact OG-CB 3.43Å; S119-L122 PolarHBondContact O-N 3.45Å; S119-L122 PolarHBondContact OG-N 2.75Å; S119-L122 VanDerWaalsContact OG-N 3.13Å; S119-C123 PolarHBondContact O-N 3.47Å
120	S	48.6	Very low	49.4	Very low	76 Å²	76	50.3 Å²	50.3	53%	0.531	26%	0.262	S	S	.	.	H	α-helix	trans	-47.1	-30.4	162.7	46.7	0	0	0	0	110.5	C123 E124	S120-C123 CarbonylContact O-C 3.35Å; S120-C123 WeakPolarHBondContact O-CB 3.37Å; S120-C123 PolarHBondContact O-N 2.89Å; S120-E124 WeakPolarHBondContact O-CB 3.48Å; S120-E124 VanDerWaalsContact O-CG 3.32Å; S120-E124 WeakPolarHBondContact O-CG 3.31Å; S120-E124 PolarHBondContact O-N 3.23Å
121	F	56.6	Low	51.3	Low	16 Å²	16	53.1 Å²	53.1	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-49.8	170.5	169.5	-91.6	0	0	0	114.8	I2 L57 N58 A59 S119 C123 E124 W125	I2-F121 HydrophobicContact CB-CE2 4.06Å; I2-F121 HydrophobicContact CD1-CD2 4.42Å; I2-F121 HydrophobicContact CD1-CE2 4.44Å; I2-F121 HydrophobicContact CG1-CD2 3.76Å; I2-F121 HydrophobicContact CG1-CE2 3.73Å; I2-F121 HydrophobicContact CG2-CE2 3.79Å; I2-F121 HydrophobicContact CG2-CZ 4.36Å; L57-F121 HydrophobicContact CB-CE1 3.99Å; L57-F121 HydrophobicContact CB-CZ 3.8Å; N58-F121 WeakPolarHBondContact O-CE2 3.27Å; A59-F121 HydrophobicContact CB-CB 3.8Å; A59-F121 HydrophobicContact CB-CD1 3.58Å; A59-F121 HydrophobicContact CB-CD2 3.32Å; A59-F121 HydrophobicContact CB-CE1 3.91Å; A59-F121 HydrophobicContact CB-CE2 3.66Å; A59-F121 HydrophobicContact CB-CG 3.26Å; A59-F121 HydrophobicContact CB-CZ 3.95Å; S119-F121 PolarHBondContact O-N 3.43Å; S119-F121 WeakPolarHBondContact OG-CB 3.43Å; F121-C123 PolarHBondContact O-N 2.88Å; F121-E124 PolarHBondContact O-N 3.4Å; F121-W125 WeakPolarHBondContact O-CB 2.95Å; F121-W125 PolarHBondContact O-N 3Å
122	L	59.7	Low	53.4	Low	5 Å²	5	42.2 Å²	42.2	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-38.3	178.1	-177.9	68.1	0	0	0	109.5	L29 L96 S119 W125 L126 W161	L29-L122 HydrophobicContact CD1-CD2 4.14Å; L29-L122 HydrophobicContact CD2-CD2 4.25Å; L96-L122 HydrophobicContact CD1-CD1 3.67Å; S119-L122 PolarHBondContact O-N 3.45Å; S119-L122 PolarHBondContact OG-N 2.75Å; S119-L122 VanDerWaalsContact OG-N 3.13Å; L122-W125 HydrophobicContact CD1-CE3 4.13Å; L122-L126 HydrophobicContact CD1-CD1 4.41Å; L122-L126 HydrophobicContact CD1-CG 4.36Å; L122-L126 HydrophobicContact CG-CD1 4.03Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 VanDerWaalsContact O-CB 3.3Å; L122-L126 WeakPolarHBondContact O-CB 2.94Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å; L122-L126 PolarHBondContact O-N 3.44Å; L122-W161 HydrophobicContact CD2-CH2 4.4Å; L122-W161 HydrophobicContact CD2-CZ2 4.11Å
123	C	58.8	Low	55.5	Low	31 Å²	31	40.2 Å²	40.2	21%	0.209	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-51.3	175.9	-56.9	0	0	0	0	112	S119 S120 F121 W125 L126 S127 W161 M165	S119-C123 PolarHBondContact O-N 3.47Å; S120-C123 CarbonylContact O-C 3.35Å; S120-C123 WeakPolarHBondContact O-CB 3.37Å; S120-C123 PolarHBondContact O-N 2.89Å; F121-C123 PolarHBondContact O-N 2.88Å; C123-W125 VanDerWaalsContact C-N 3.31Å; C123-W125 PolarHBondContact O-N 2.85Å; C123-L126 PolarHBondContact O-N 2.87Å; C123-S127 WeakPolarHBondContact O-CB 3.41Å; C123-S127 PolarHBondContact O-N 2.78Å; C123-S127 PolarHBondContact O-OG 3.39Å; C123-S127 VanDerWaalsContact O-OG 3.07Å; C123-W161 PolarHBondContact SG-NE1 3.09Å; C123-M165 VanDerWaalsContact CA-CE 3.43Å; C123-M165 HydrophobicContact CB-CE 3.47Å; C123-M165 VanDerWaalsContact CB-CE 3.47Å; C123-M165 HydrophobicContact CB-SD 4.35Å; C123-M165 VanDerWaalsContact SG-CE 3.5Å
124	E	60.4	Low	57.4	Low	109 Å²	109	42.8 Å²	42.8	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-60.3	-41.3	177.4	-76.3	175.8	-167.6	0	0	111.3	I2 S120 F121 S128	I2-E124 HydrophobicContact CD1-CB 3.87Å; S120-E124 WeakPolarHBondContact O-CB 3.48Å; S120-E124 VanDerWaalsContact O-CG 3.32Å; S120-E124 WeakPolarHBondContact O-CG 3.31Å; S120-E124 PolarHBondContact O-N 3.23Å; F121-E124 PolarHBondContact O-N 3.4Å; E124-S128 VanDerWaalsContact O-CB 3.23Å; E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.21Å; E124-S128 PolarHBondContact O-OG 3.31Å
125	W	64.7	Low	59.1	Low	2 Å²	2	37.7 Å²	37.7	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-50.6	176.3	179.6	73.1	0	0	0	110.7	I2 L17 L57 A85 I94 L96 F121 L122 C123 S127 S128 C129	I2-W125 HydrophobicContact CD1-CB 4.04Å; L17-W125 HydrophobicContact CD1-CH2 4.35Å; L17-W125 HydrophobicContact CD1-CZ2 3.56Å; L57-W125 HydrophobicContact CD1-CD2 3.85Å; L57-W125 HydrophobicContact CD1-CE3 4.08Å; L57-W125 HydrophobicContact CD1-CG 4.4Å; L57-W125 HydrophobicContact CD1-CH2 4.15Å; L57-W125 HydrophobicContact CD1-CZ2 3.9Å; L57-W125 HydrophobicContact CD1-CZ3 4.24Å; L57-W125 HydrophobicContact CD2-CD2 4.13Å; L57-W125 HydrophobicContact CD2-CG 4.19Å; L57-W125 HydrophobicContact CD2-CZ2 4Å; A85-W125 HydrophobicContact CB-CH2 4.38Å; A85-W125 HydrophobicContact CB-CZ2 4.19Å; I94-W125 HydrophobicContact CG2-CH2 4.17Å; L96-W125 HydrophobicContact CD1-CZ3 3.99Å; L96-W125 HydrophobicContact CD2-CH2 3.68Å; L96-W125 HydrophobicContact CD2-CZ3 3.83Å; L96-W125 HydrophobicContact CG-CZ3 4.38Å; F121-W125 WeakPolarHBondContact O-CB 2.95Å; F121-W125 PolarHBondContact O-N 3Å; L122-W125 HydrophobicContact CD1-CE3 4.13Å; C123-W125 VanDerWaalsContact C-N 3.31Å; C123-W125 PolarHBondContact O-N 2.85Å; W125-S127 PolarHBondContact O-N 3.13Å; W125-S128 WeakPolarHBondContact O-CB 3.22Å; W125-S128 PolarHBondContact O-N 3.47Å; W125-S128 VanDerWaalsContact O-N 3.08Å; W125-S128 PolarHBondContact O-OG 3.21Å; W125-C129 PolarHBondContact O-N 3.03Å; W125-C129 VanDerWaalsContact O-N 3.16Å; W125-C129 PolarHBondContact O-SG 3.48Å
126	L	63.6	Low	61	Low	5 Å²	5	38.5 Å²	38.5	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-57	-50.9	177.1	-74.1	174.1	0	0	0	111.2	L27 L122 C123 S128 C129 A130 L135 W161 M165 F167	L27-L126 HydrophobicContact CD1-CD2 4.41Å; L27-L126 HydrophobicContact CD2-CD1 4.16Å; L27-L126 HydrophobicContact CD2-CD2 3.38Å; L27-L126 HydrophobicContact CD2-CG 4.43Å; L122-L126 HydrophobicContact CD1-CD1 4.41Å; L122-L126 HydrophobicContact CD1-CG 4.36Å; L122-L126 HydrophobicContact CG-CD1 4.03Å; L122-L126 HydrophobicContact CG-CG 4.37Å; L122-L126 VanDerWaalsContact O-CB 3.3Å; L122-L126 WeakPolarHBondContact O-CB 2.94Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å; L122-L126 PolarHBondContact O-N 3.44Å; C123-L126 PolarHBondContact O-N 2.87Å; L126-S128 PolarHBondContact O-N 3.45Å; L126-C129 PolarHBondContact O-N 3.1Å; L126-A130 PolarHBondContact O-N 2.77Å; L126-L135 HydrophobicContact CD2-CD1 4.2Å; L126-W161 HydrophobicContact CD1-CZ2 4.04Å; L126-M165 HydrophobicContact CD1-CE 4.23Å; L126-F167 HydrophobicContact CD1-CZ 4.4Å
127	S	64.6	Low	62.5	Low	65 Å²	65	37.3 Å²	37.3	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-26	177.2	-63.3	0	0	0	0	113.4	C123 W125 C129 A130	C123-S127 WeakPolarHBondContact O-CB 3.41Å; C123-S127 PolarHBondContact O-N 2.78Å; C123-S127 PolarHBondContact O-OG 3.39Å; C123-S127 VanDerWaalsContact O-OG 3.07Å; W125-S127 PolarHBondContact O-N 3.13Å; S127-C129 VanDerWaalsContact C-N 3.3Å; S127-A130 WeakPolarHBondContact CA-O 3.49Å
128	S	65	Low	63.8	Low	37 Å²	37	36.8 Å²	36.8	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-75.5	-22.1	174.2	79.4	0	0	0	0	113.1	E124 W125 L126	E124-S128 VanDerWaalsContact O-CB 3.23Å; E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.21Å; E124-S128 PolarHBondContact O-OG 3.31Å; W125-S128 WeakPolarHBondContact O-CB 3.22Å; W125-S128 PolarHBondContact O-N 3.47Å; W125-S128 VanDerWaalsContact O-N 3.08Å; W125-S128 PolarHBondContact O-OG 3.21Å; L126-S128 PolarHBondContact O-N 3.45Å
129	C	60.6	Low	65.1	Low	13 Å²	13	33.3 Å²	33.3	9%	0.088	19%	0.193	C	C	.	.	H	α-helix	trans	-98.6	-48.3	-176.7	-57.2	0	0	0	0	110.9	L17 S22 W125 L126 S127	L17-C129 HydrophobicContact CB-CB 4.33Å; L17-C129 HydrophobicContact CD1-CB 4.19Å; L17-C129 VanDerWaalsContact CD1-SG 3.5Å; S22-C129 WeakPolarHBondContact CB-O 3.42Å; S22-C129 PolarHBondContact OG-O 3.4Å; W125-C129 PolarHBondContact O-N 3.03Å; W125-C129 VanDerWaalsContact O-N 3.16Å; W125-C129 PolarHBondContact O-SG 3.48Å; L126-C129 PolarHBondContact O-N 3.1Å; S127-C129 VanDerWaalsContact C-N 3.3Å
130	A	65.5	Low	66	Low	7 Å²	7	34.2 Å²	34.2	6%	0.058	20%	0.197	C	C	.	.			trans	-143.3	151.2	-173.1	0	0	0	0	0	111	S22 L126 S127 P132 L135	S22-A130 VanDerWaalsContact CB-CA 3.47Å; L126-A130 PolarHBondContact O-N 2.77Å; S127-A130 WeakPolarHBondContact CA-O 3.49Å; A130-P132 WeakPolarHBondContact O-CD 3.4Å; A130-L135 HydrophobicContact CB-CD1 3.8Å; A130-L135 HydrophobicContact CB-CD2 3.75Å; A130-L135 HydrophobicContact CB-CG 3.74Å
131	E	71.5	Confident	66.8	Low	123 Å²	123	31 Å²	31	58%	0.575	17%	0.174	S	C	*	.			trans	-68.5	126	157.8	-69.5	-63.6	159.8	0	0	107.7	S133 E134	E131-S133 PolarHBondContact O-N 2.73Å; E131-E134 HydrophobicContact CB-CG 4.23Å; E131-E134 WeakPolarHBondContact O-CB 3.31Å; E131-E134 PolarHBondContact O-N 2.86Å
132	P	71.1	Confident	67.1	Low	11 Å²	11	31.4 Å²	31.4	7%	0.071	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-51.8	-31	-179.9	-32.6	38.1	0	0	0	114.2	A130 E134 L135 M165 F167 R168	A130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-E134 PolarHBondContact O-N 3.27Å; P132-E134 VanDerWaalsContact O-N 3.11Å; P132-L135 PolarHBondContact O-N 2.73Å; P132-M165 HydrophobicContact CB-CB 4.34Å; P132-M165 WeakPolarHBondContact CB-O 3.32Å; P132-F167 HydrophobicContact CB-CD1 4.08Å; P132-F167 HydrophobicContact CB-CE1 4.12Å; P132-F167 VanDerWaalsContact O-CA 3.31Å; P132-F167 WeakPolarHBondContact O-CA 3.48Å; P132-R168 PolarHBondContact O-N 3.39Å
133	S	75.3	Confident	66.8	Low	71 Å²	71	31.4 Å²	31.4	50%	0.497	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63.1	-11.3	176.2	60.2	0	0	0	0	114.6	E131 S166 R168	E131-S133 PolarHBondContact O-N 2.73Å; S133-S166 VanDerWaalsContact CA-O 3.3Å; S133-S166 WeakPolarHBondContact CA-O 3.25Å; S133-R168 VanDerWaalsContact O-CB 3.3Å; S133-R168 WeakPolarHBondContact O-CB 3.26Å
134	E	71.7	Confident	66.3	Low	78 Å²	78	31.8 Å²	31.8	36%	0.364	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-97.4	-11.9	174.2	-59	-173.3	148.1	0	0	112.9	E131 P132	E131-E134 HydrophobicContact CB-CG 4.23Å; E131-E134 WeakPolarHBondContact O-CB 3.31Å; E131-E134 PolarHBondContact O-N 2.86Å; P132-E134 PolarHBondContact O-N 3.27Å; P132-E134 VanDerWaalsContact O-N 3.11Å
135	L	69.8	Low	65.9	Low	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-97.6	139.5	-174.2	-62.7	179.2	0	0	0	112.2	L27 L126 A130 P132 F167 R168	L27-L135 HydrophobicContact CD2-CD1 4.32Å; L126-L135 HydrophobicContact CD2-CD1 4.2Å; A130-L135 HydrophobicContact CB-CD1 3.8Å; A130-L135 HydrophobicContact CB-CD2 3.75Å; A130-L135 HydrophobicContact CB-CG 3.74Å; P132-L135 PolarHBondContact O-N 2.73Å; L135-F167 HydrophobicContact CB-CD1 4.15Å; L135-F167 HydrophobicContact CD1-CE1 4.47Å; L135-R168 VanDerWaalsContact O-CB 3.25Å; L135-R168 WeakPolarHBondContact O-CB 3.43Å; L135-R168 PolarHBondContact O-N 2.89Å
136	V	75.2	Confident	64.8	Low	31 Å²	31	31.3 Å²	31.3	19%	0.188	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117	161.2	179.4	0	0	0	0	108	S25 L26 L27 S169 I171	S25-V136 PolarHBondContact O-N 2.92Å; L26-V136 HydrophobicContact CD1-CB 3.69Å; L26-V136 HydrophobicContact CD1-CG1 3.55Å; L27-V136 PolarHBondContact N-O 2.93Å; V136-S169 CarbonylContact C-O 3.47Å; V136-S169 VanDerWaalsContact CA-O 3.32Å; V136-S169 WeakPolarHBondContact CA-O 3.02Å; V136-I171 HydrophobicContact CG1-CD1 4.04Å; V136-I171 HydrophobicContact CG1-CG1 4.34Å
137	L	73.9	Confident	64.2	Low	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.4	-180	173.4	67.7	0	0	0	110.2	L27 L29 V139 W161 I162 F167 S169 V170 I171	L27-L137 HydrophobicContact CD2-CD1 3.91Å; L27-L137 HydrophobicContact CG-CD1 4.21Å; L27-L137 CarbonylContact O-C 3.33Å; L29-L137 HydrophobicContact CB-CD1 3.83Å; L29-L137 HydrophobicContact CD2-CD1 4.23Å; L137-V139 HydrophobicContact CD1-CG2 4.3Å; L137-V139 HydrophobicContact CD2-CG2 3.7Å; L137-V139 HydrophobicContact CG-CG2 3.71Å; L137-W161 HydrophobicContact CD1-CH2 4.43Å; L137-W161 HydrophobicContact CD2-CH2 3.86Å; L137-W161 HydrophobicContact CD2-CZ3 3.6Å; L137-I162 HydrophobicContact CD2-CG1 4.25Å; L137-F167 HydrophobicContact CB-CD1 4.01Å; L137-F167 HydrophobicContact CB-CD2 4.35Å; L137-F167 HydrophobicContact CB-CE1 4.23Å; L137-F167 HydrophobicContact CB-CG 4.07Å; L137-F167 HydrophobicContact CB-CZ 4.49Å; L137-F167 HydrophobicContact CD2-CD2 3.88Å; L137-F167 HydrophobicContact CD2-CE1 4.45Å; L137-F167 HydrophobicContact CD2-CE2 3.56Å; L137-F167 HydrophobicContact CD2-CG 4.44Å; L137-F167 HydrophobicContact CD2-CZ 3.88Å; L137-S169 PolarHBondContact N-O 3.34Å; L137-V170 HydrophobicContact CB-CG1 4.27Å; L137-V170 HydrophobicContact CB-CG2 4.2Å; L137-V170 HydrophobicContact CD2-CG1 3.98Å; L137-V170 HydrophobicContact CD2-CG2 4.36Å; L137-V170 HydrophobicContact CG-CG1 4.21Å; L137-V170 CarbonylContact O-C 3.57Å; L137-V170 VanDerWaalsContact O-CA 3.26Å; L137-V170 WeakPolarHBondContact O-CA 3.34Å; L137-I171 PolarHBondContact O-N 2.99Å
138	V	73.2	Confident	63.7	Low	10 Å²	10	37.7 Å²	37.7	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	169.9	-173.5	0	0	0	0	109.2	L26 L27 I28 L29 L140 I171 L173	L26-V138 HydrophobicContact CD1-CG2 3.53Å; L26-V138 HydrophobicContact CD2-CG2 4.46Å; L26-V138 HydrophobicContact CG-CG2 4.12Å; L27-V138 PolarHBondContact O-N 2.77Å; I28-V138 HydrophobicContact CG1-CB 4.24Å; I28-V138 HydrophobicContact CG1-CG2 4.43Å; L29-V138 PolarHBondContact N-O 3.17Å; V138-L140 HydrophobicContact CG1-CD2 4.35Å; V138-I171 CarbonylContact C-O 3.55Å; V138-I171 WeakPolarHBondContact CA-O 3.48Å; V138-I171 HydrophobicContact CG1-CB 4.39Å; V138-I171 HydrophobicContact CG1-CG2 4.23Å; V138-I171 HydrophobicContact CG2-CB 4.16Å; V138-I171 HydrophobicContact CG2-CD1 4.33Å; V138-L173 HydrophobicContact CG1-CD1 3.51Å; V138-L173 HydrophobicContact CG1-CG 3.79Å
139	V	70.7	Confident	63.4	Low	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.8	-179.2	-175.4	0	0	0	0	108.9	L29 T31 L137 L141 L158 V170 I171 L172 L173	L29-V139 WeakPolarHBondContact O-CA 3.46Å; T31-V139 HydrophobicContact CG2-CG1 3.27Å; L137-V139 HydrophobicContact CD1-CG2 4.3Å; L137-V139 HydrophobicContact CD2-CG2 3.7Å; L137-V139 HydrophobicContact CG-CG2 3.71Å; V139-L141 PolarHBondContact O-N 3.37Å; V139-L158 HydrophobicContact CG1-CD1 4.4Å; V139-L158 HydrophobicContact CG1-CD2 4.16Å; V139-V170 HydrophobicContact CG2-CG1 4.08Å; V139-I171 PolarHBondContact N-O 3.1Å; V139-L172 HydrophobicContact CB-CD1 3.62Å; V139-L172 HydrophobicContact CG1-CD1 3.51Å; V139-L173 PolarHBondContact O-N 3.07Å
140	L	65.7	Low	63.2	Low	25 Å²	25	46.2 Å²	46.2	13%	0.131	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	108.6	171.9	-54	-178.2	0	0	0	109.1	I28 L29 T31 A41 V42 V138 L173	I28-L140 HydrophobicContact CG2-CD1 4.5Å; L29-L140 PolarHBondContact O-N 3.48Å; T31-L140 WeakPolarHBondContact CB-O 3.49Å; T31-L140 PolarHBondContact N-O 2.68Å; T31-L140 PolarHBondContact OG1-O 2.95Å; A41-L140 HydrophobicContact CB-CD1 3.84Å; V42-L140 HydrophobicContact CG2-CD1 4.01Å; V138-L140 HydrophobicContact CG1-CD2 4.35Å; L140-L173 HydrophobicContact CD2-CB 3.76Å; L140-L173 HydrophobicContact CD2-CD1 3.47Å; L140-L173 VanDerWaalsContact CD2-CD1 3.47Å; L140-L173 HydrophobicContact CD2-CG 4.05Å
141	L	65.8	Low	62.8	Low	8 Å²	8	46.9 Å²	46.9	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112	-176.9	176.6	66.4	0	0	0	112	T31 V139 P143 F154 L155 L172 L173 T174 I239	T31-L141 WeakPolarHBondContact OG1-CA 3.47Å; V139-L141 PolarHBondContact O-N 3.37Å; L141-P143 WeakPolarHBondContact O-CD 3.49Å; L141-F154 HydrophobicContact CD1-CE1 3.39Å; L141-F154 HydrophobicContact CD1-CZ 3.65Å; L141-L155 HydrophobicContact CD2-CD2 4Å; L141-L172 HydrophobicContact CB-CD1 3.72Å; L141-L172 HydrophobicContact CB-CG 4.38Å; L141-L172 HydrophobicContact CD2-CD1 4.08Å; L141-L172 HydrophobicContact CD2-CD2 4.05Å; L141-L172 HydrophobicContact CD2-CG 4.39Å; L141-L173 PolarHBondContact N-O 2.92Å; L141-T174 VanDerWaalsContact O-CA 3.31Å; L141-T174 WeakPolarHBondContact O-CA 3.49Å; L141-T174 VanDerWaalsContact O-CB 3.32Å; L141-T174 WeakPolarHBondContact O-CB 3.37Å; L141-T174 PolarHBondContact O-OG1 3.2Å; L141-I239 HydrophobicContact CD2-CD1 3.99Å
142	D	61.8	Low	62.3	Low	25 Å²	25	45.3 Å²	45.3	13%	0.134	24%	0.238	C	C	.	.			trans	-88.4	117.1	162.7	-170.9	-25.2	0	0	0	108.2	S33 I34 A144	S33-D142 WeakPolarHBondContact CB-O 3.35Å; S33-D142 PolarHBondContact OG-O 3.5Å; I34-D142 VanDerWaalsContact O-CG 3.3Å; D142-A144 VanDerWaalsContact C-N 3.3Å; D142-A144 PolarHBondContact O-N 3.18Å; D142-A144 WeakPolarHBondContact OD1-CB 3.31Å; D142-A144 PolarHBondContact OD1-N 3.08Å
143	P	53.6	Low	62	Low	5 Å²	5	48.1 Å²	48.1	3%	0.032	25%	0.254	C	S	.	.			trans	-78.6	-2.4	-176.8	23.5	-24.3	0	0	0	115.4	L141 E145 S175 F231 Y232 I235	L141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-E145 PolarHBondContact O-N 3.35Å; P143-S175 WeakPolarHBondContact CG-O 3.21Å; P143-F231 HydrophobicContact CB-CE1 4.18Å; P143-F231 HydrophobicContact CB-CZ 4.02Å; P143-F231 HydrophobicContact CG-CE1 4.35Å; P143-F231 WeakPolarHBondContact O-CE2 3.18Å; P143-F231 WeakPolarHBondContact O-CZ 3.48Å; P143-Y232 HydrophobicContact CB-CE1 4.42Å; P143-Y232 HydrophobicContact CG-CD1 4.44Å; P143-Y232 HydrophobicContact CG-CE1 3.51Å; P143-I235 HydrophobicContact CB-CD1 3.43Å; P143-I235 VanDerWaalsContact CB-CD1 3.43Å; P143-I235 HydrophobicContact CB-CG2 4.39Å
144	A	49.2	Very low	61.5	Low	40 Å²	40	46.4 Å²	46.4	33%	0.331	24%	0.238	S	C	.	.			trans	-57.1	7.7	-161	0	0	0	0	0	119.7	I34 D142 S146	I34-A144 HydrophobicContact CB-CB 3.83Å; I34-A144 WeakPolarHBondContact CD1-O 3.22Å; I34-A144 HydrophobicContact CG2-CB 4.08Å; D142-A144 VanDerWaalsContact C-N 3.3Å; D142-A144 PolarHBondContact O-N 3.18Å; D142-A144 WeakPolarHBondContact OD1-CB 3.31Å; D142-A144 PolarHBondContact OD1-N 3.08Å; A144-S146 PolarHBondContact O-N 2.64Å; A144-S146 VanDerWaalsContact O-N 3.13Å
145	E	51.3	Low	61.2	Low	16 Å²	16	43 Å²	43	8%	0.075	22%	0.222	C	C	.	.			trans	-67.9	106.4	171.5	172.5	56.4	-93.5	0	0	112	I34 P143 R147 R150 R151 F231	I34-E145 VanDerWaalsContact CD1-CA 3.43Å; I34-E145 HydrophobicContact CD1-CB 4.05Å; I34-E145 HydrophobicContact CG1-CB 4Å; P143-E145 PolarHBondContact O-N 3.35Å; E145-R147 PolarHBondContact O-N 2.97Å; E145-R147 VanDerWaalsContact O-N 3.16Å; E145-R147 WeakPolarHBondContact OE1-CB 3.5Å; E145-R147 WeakPolarHBondContact OE1-CG 3.32Å; E145-R147 PolarHBondContact OE1-N 3.22Å; E145-R150 HydrophobicContact CG-CB 3.75Å; E145-R150 VanDerWaalsContact OE2-CD 3.29Å; E145-R150 WeakPolarHBondContact OE2-CD 3.39Å; E145-R150 IonicContact OE2-NH1 2.92Å; E145-R151 HydrophobicContact CB-CG 3.81Å; E145-R151 HydrophobicContact CG-CG 3.84Å; E145-R151 WeakPolarHBondContact O-CD 3.25Å; E145-R151 VanDerWaalsContact O-CG 3.27Å; E145-R151 WeakPolarHBondContact O-CG 3.47Å; E145-R151 PolarHBondContact O-NH1 3.25Å; E145-F231 WeakPolarHBondContact O-CE2 3.29Å
146	S	42.4	Very low	61.1	Low	85 Å²	85	49.9 Å²	49.9	59%	0.594	25%	0.252	S	S	*	.			trans	-63.5	-21	-176.1	60.5	0	0	0	0	114.5	A144 P148 R151	A144-S146 PolarHBondContact O-N 2.64Å; A144-S146 VanDerWaalsContact O-N 3.13Å; S146-P148 WeakPolarHBondContact O-CD 3.3Å; S146-R151 PolarHBondContact O-NH1 2.95Å
147	R	50.7	Low	60.7	Low	122 Å²	122	54.2 Å²	54.2	46%	0.46	27%	0.265	S	S	.	.			trans	-90.7	114.9	-176.1	-60.4	174.4	-170.5	-176.8	5.1	112.9	E145 H149 R150 R151	E145-R147 PolarHBondContact O-N 2.97Å; E145-R147 VanDerWaalsContact O-N 3.16Å; E145-R147 WeakPolarHBondContact OE1-CB 3.5Å; E145-R147 WeakPolarHBondContact OE1-CG 3.32Å; E145-R147 PolarHBondContact OE1-N 3.22Å; R147-H149 PolarHBondContact O-N 3.3Å; R147-R150 HydrophobicContact CB-CB 4.38Å; R147-R150 HydrophobicContact CB-CG 4.16Å; R147-R150 VanDerWaalsContact NH1-NH2 3.18Å; R147-R150 PolarHBondContact O-N 3.4Å; R147-R150 VanDerWaalsContact O-N 3.15Å; R147-R151 VanDerWaalsContact C-NH1 3.31Å; R147-R151 PolarHBondContact O-N 3.09Å
148	P	54	Low	60.5	Low	82 Å²	82	54.3 Å²	54.3	53%	0.532	27%	0.266	S	S	.	.	H	α-helix	trans	-55.5	-43.5	-174.7	-24.1	31	0	0	0	115.5	S146 R150 R151 H152	S146-P148 WeakPolarHBondContact O-CD 3.3Å; P148-R150 VanDerWaalsContact C-N 3.33Å; P148-R150 PolarHBondContact O-N 2.93Å; P148-R151 VanDerWaalsContact CA-CZ 3.46Å; P148-R151 PolarHBondContact O-N 3.06Å; P148-H152 PolarHBondContact O-N 3.37Å
149	H	58.7	Low	60.3	Low	117 Å²	117	55 Å²	55	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-37.1	-178.7	63.9	-81.7	0	0	0	112.7	R147 V153	R147-H149 PolarHBondContact O-N 3.3Å; H149-V153 VanDerWaalsContact O-CG2 3.25Å; H149-V153 WeakPolarHBondContact O-CG2 3.12Å; H149-V153 PolarHBondContact O-N 3.06Å; H149-V153 VanDerWaalsContact O-N 3.1Å
150	R	55.9	Low	60.4	Low	111 Å²	111	56 Å²	56	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-69.6	-40.3	179.2	-65.3	-169.2	173.8	-167.7	-11.6	111.2	E145 R147 P148 V153 F154	E145-R150 HydrophobicContact CG-CB 3.75Å; E145-R150 VanDerWaalsContact OE2-CD 3.29Å; E145-R150 WeakPolarHBondContact OE2-CD 3.39Å; E145-R150 IonicContact OE2-NH1 2.92Å; R147-R150 HydrophobicContact CB-CB 4.38Å; R147-R150 HydrophobicContact CB-CG 4.16Å; R147-R150 VanDerWaalsContact NH1-NH2 3.18Å; R147-R150 PolarHBondContact O-N 3.4Å; R147-R150 VanDerWaalsContact O-N 3.15Å; P148-R150 VanDerWaalsContact C-N 3.33Å; P148-R150 PolarHBondContact O-N 2.93Å; R150-V153 PolarHBondContact O-N 2.92Å; R150-F154 VanDerWaalsContact O-CB 3.25Å; R150-F154 WeakPolarHBondContact O-CB 3.31Å; R150-F154 PolarHBondContact O-N 2.93Å
151	R	58.4	Low	60.6	Low	22 Å²	22	55.1 Å²	55.1	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-50.3	174.2	-66	-165.8	-62.6	-87.9	8.6	112.2	E145 S146 R147 P148 V153 F154 L155	E145-R151 HydrophobicContact CB-CG 3.81Å; E145-R151 HydrophobicContact CG-CG 3.84Å; E145-R151 WeakPolarHBondContact O-CD 3.25Å; E145-R151 VanDerWaalsContact O-CG 3.27Å; E145-R151 WeakPolarHBondContact O-CG 3.47Å; E145-R151 PolarHBondContact O-NH1 3.25Å; S146-R151 PolarHBondContact O-NH1 2.95Å; R147-R151 VanDerWaalsContact C-NH1 3.31Å; R147-R151 PolarHBondContact O-N 3.09Å; P148-R151 VanDerWaalsContact CA-CZ 3.46Å; P148-R151 PolarHBondContact O-N 3.06Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.89Å; R151-F154 WeakPolarHBondContact O-CB 3.29Å; R151-F154 PolarHBondContact O-N 3.16Å; R151-F154 VanDerWaalsContact O-N 3.11Å; R151-L155 PolarHBondContact O-N 2.68Å
152	H	61	Low	60.8	Low	90 Å²	90	54.9 Å²	54.9	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-45.4	179.5	-175.9	76.9	0	0	0	111.2	P148 F154 K156 E238	P148-H152 PolarHBondContact O-N 3.37Å; H152-F154 VanDerWaalsContact C-N 3.34Å; H152-F154 PolarHBondContact O-N 2.82Å; H152-K156 WeakPolarHBondContact O-CB 3.37Å; H152-K156 PolarHBondContact O-N 2.53Å; H152-E238 IonicContact CE1-OE1 2.68Å; H152-E238 IonicContact CG-OE1 2.9Å; H152-E238 IonicContact ND1-OE1 3.9Å; H152-E238 PolarHBondContact ND1-OE1 3.38Å; H152-E238 IonicContact ND1-OE2 2.7Å
153	V	64	Low	61.3	Low	70 Å²	70	57.7 Å²	57.7	42%	0.424	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-43.1	176.2	171.1	0	0	0	0	111.2	H149 R150 R151 R157	H149-V153 VanDerWaalsContact O-CG2 3.25Å; H149-V153 WeakPolarHBondContact O-CG2 3.12Å; H149-V153 PolarHBondContact O-N 3.06Å; H149-V153 VanDerWaalsContact O-N 3.1Å; R150-V153 PolarHBondContact O-N 2.92Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.89Å; V153-R157 VanDerWaalsContact O-CB 3.26Å; V153-R157 WeakPolarHBondContact O-CB 3.4Å; V153-R157 WeakPolarHBondContact O-CG 3.36Å; V153-R157 PolarHBondContact O-N 3.39Å
154	F	64.9	Low	62.3	Low	34 Å²	34	64.5 Å²	64.5	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-50.6	178.2	169.6	-82.6	0	0	0	112.3	I116 L141 R150 R151 H152 R157 L158	I116-F154 HydrophobicContact CB-CD2 4.13Å; I116-F154 HydrophobicContact CB-CE2 3.74Å; I116-F154 HydrophobicContact CB-CZ 4.33Å; I116-F154 HydrophobicContact CD1-CD1 3.98Å; I116-F154 HydrophobicContact CD1-CD2 3.83Å; I116-F154 HydrophobicContact CD1-CE1 3.31Å; I116-F154 HydrophobicContact CD1-CE2 3.21Å; I116-F154 HydrophobicContact CD1-CG 4.22Å; I116-F154 HydrophobicContact CD1-CZ 2.92Å; I116-F154 HydrophobicContact CG1-CD2 3.98Å; I116-F154 HydrophobicContact CG1-CE1 4.2Å; I116-F154 HydrophobicContact CG1-CE2 3.17Å; I116-F154 HydrophobicContact CG1-CZ 3.32Å; L141-F154 HydrophobicContact CD1-CE1 3.39Å; L141-F154 HydrophobicContact CD1-CZ 3.65Å; R150-F154 VanDerWaalsContact O-CB 3.25Å; R150-F154 WeakPolarHBondContact O-CB 3.31Å; R150-F154 PolarHBondContact O-N 2.93Å; R151-F154 WeakPolarHBondContact O-CB 3.29Å; R151-F154 PolarHBondContact O-N 3.16Å; R151-F154 VanDerWaalsContact O-N 3.11Å; H152-F154 VanDerWaalsContact C-N 3.34Å; H152-F154 PolarHBondContact O-N 2.82Å; F154-R157 WeakPolarHBondContact O-CB 2.87Å; F154-R157 PolarHBondContact O-N 2.86Å; F154-L158 PolarHBondContact O-N 3.31Å
155	L	65.4	Low	63.4	Low	8 Å²	8	63.8 Å²	63.8	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-47.9	-179.4	-77.1	171.6	0	0	0	110.1	L141 R151 R157 L158 L159 I235 E238 I239	L141-L155 HydrophobicContact CD2-CD2 4Å; R151-L155 PolarHBondContact O-N 2.68Å; L155-R157 PolarHBondContact O-N 3.18Å; L155-L158 PolarHBondContact O-N 3.05Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CD1 3.45Å; L155-L159 WeakPolarHBondContact O-CG 3.03Å; L155-L159 PolarHBondContact O-N 3.43Å; L155-I235 HydrophobicContact CD1-CG2 4.32Å; L155-E238 HydrophobicContact CD1-CB 4.05Å; L155-E238 VanDerWaalsContact CD1-OE2 3.24Å; L155-E238 WeakPolarHBondContact CD1-OE2 3.48Å; L155-I239 HydrophobicContact CD2-CG1 4.29Å
156	K	68.5	Low	64.7	Low	147 Å²	147	66.7 Å²	66.7	64%	0.639	33%	0.328	S	S	*	.	H	α-helix	trans	-54.9	-41.6	176.2	-177.1	177.8	-179.3	178.4	0	112	H152 G160	H152-K156 WeakPolarHBondContact O-CB 3.37Å; H152-K156 PolarHBondContact O-N 2.53Å; K156-G160 PolarHBondContact O-N 2.86Å; K156-G160 VanDerWaalsContact O-N 3.1Å
157	R	66.4	Low	66.2	Low	122 Å²	122	62.9 Å²	62.9	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-62.7	-68.2	173	-78.5	179.8	178.8	-167.1	-1	109.4	Y118 V153 F154 L155 L159 G160 W161	Y118-R157 HydrophobicContact CD2-CB 4.26Å; Y118-R157 HydrophobicContact CE2-CB 3.5Å; Y118-R157 HydrophobicContact CE2-CG 4.39Å; Y118-R157 WeakPolarHBondContact OH-CA 3.25Å; Y118-R157 PolarHBondContact OH-O 3.43Å; V153-R157 VanDerWaalsContact O-CB 3.26Å; V153-R157 WeakPolarHBondContact O-CB 3.4Å; V153-R157 WeakPolarHBondContact O-CG 3.36Å; V153-R157 PolarHBondContact O-N 3.39Å; F154-R157 WeakPolarHBondContact O-CB 2.87Å; F154-R157 PolarHBondContact O-N 2.86Å; L155-R157 PolarHBondContact O-N 3.18Å; R157-L159 CarbonylContact O-C 3.52Å; R157-L159 PolarHBondContact O-N 3.47Å; R157-G160 WeakPolarHBondContact O-CA 3.07Å; R157-G160 PolarHBondContact O-N 2.89Å; R157-W161 PolarHBondContact O-N 2.82Å
158	L	69.5	Low	67.4	Low	2 Å²	2	64 Å²	64	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-38.8	-46.1	-179.6	174.7	56.9	0	0	0	113.8	I116 V139 F154 L155 W161 I162 L172	I116-L158 HydrophobicContact CD1-CB 3.66Å; I116-L158 HydrophobicContact CD1-CD1 3.91Å; I116-L158 HydrophobicContact CD1-CD2 3.75Å; I116-L158 HydrophobicContact CD1-CG 3.93Å; V139-L158 HydrophobicContact CG1-CD1 4.4Å; V139-L158 HydrophobicContact CG1-CD2 4.16Å; F154-L158 PolarHBondContact O-N 3.31Å; L155-L158 PolarHBondContact O-N 3.05Å; L158-W161 HydrophobicContact CD1-CE3 4.05Å; L158-W161 HydrophobicContact CD1-CZ3 4.31Å; L158-W161 PolarHBondContact O-N 3.04Å; L158-I162 HydrophobicContact CD1-CD1 3.78Å; L158-I162 HydrophobicContact CD1-CG1 4.25Å; L158-I162 HydrophobicContact CG-CD1 3.85Å; L158-I162 WeakPolarHBondContact O-CG1 3.42Å; L158-I162 PolarHBondContact O-N 2.8Å; L158-L172 HydrophobicContact CD2-CD1 4.35Å
159	L	69	Low	68.3	Low	25 Å²	25	61.6 Å²	61.6	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-69.1	-43.1	179.8	-62.9	166.6	0	0	0	113.7	L155 R157 W161 I162 Q163 A242 L249	L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CD1 3.45Å; L155-L159 WeakPolarHBondContact O-CG 3.03Å; L155-L159 PolarHBondContact O-N 3.43Å; R157-L159 CarbonylContact O-C 3.52Å; R157-L159 PolarHBondContact O-N 3.47Å; L159-W161 PolarHBondContact O-N 3.38Å; L159-I162 HydrophobicContact CD2-CD1 4.37Å; L159-I162 PolarHBondContact O-N 2.81Å; L159-Q163 WeakPolarHBondContact O-CB 3.26Å; L159-Q163 VanDerWaalsContact O-CG 3.29Å; L159-Q163 WeakPolarHBondContact O-CG 3.4Å; L159-Q163 PolarHBondContact O-N 3.39Å; L159-A242 HydrophobicContact CD1-CB 3.13Å; L159-A242 HydrophobicContact CD2-CB 3.41Å; L159-A242 VanDerWaalsContact CD2-CB 3.41Å; L159-A242 HydrophobicContact CG-CB 3.8Å; L159-L249 HydrophobicContact CD2-CD2 4.06Å
160	G	71.7	Confident	68.8	Low	19 Å²	19	56 Å²	56	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-41.6	171.7	0	0	0	0	0	111.8	K156 R157 Q163 E164	K156-G160 PolarHBondContact O-N 2.86Å; K156-G160 VanDerWaalsContact O-N 3.1Å; R157-G160 WeakPolarHBondContact O-CA 3.07Å; R157-G160 PolarHBondContact O-N 2.89Å; G160-Q163 PolarHBondContact O-N 3.16Å; G160-E164 VanDerWaalsContact O-CG 3.31Å; G160-E164 WeakPolarHBondContact O-CG 3.18Å; G160-E164 PolarHBondContact O-N 3.37Å
161	W	71	Confident	69.4	Low	8 Å²	8	52.6 Å²	52.6	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-44.4	175.2	173.2	71.2	0	0	0	113.3	L29 Y118 L122 C123 L126 L137 R157 L158 L159 Q163 E164 M165 F167	L29-W161 HydrophobicContact CD2-CH2 3.71Å; L29-W161 HydrophobicContact CD2-CZ3 3.95Å; Y118-W161 HydrophobicContact CE1-CB 3.78Å; Y118-W161 HydrophobicContact CE1-CG 4.38Å; Y118-W161 HydrophobicContact CE2-CB 4.03Å; Y118-W161 WeakPolarHBondContact OH-CB 3.45Å; Y118-W161 PolarHBondContact OH-N 3.17Å; Y118-W161 VanDerWaalsContact OH-N 3.09Å; L122-W161 HydrophobicContact CD2-CH2 4.4Å; L122-W161 HydrophobicContact CD2-CZ2 4.11Å; C123-W161 PolarHBondContact SG-NE1 3.09Å; L126-W161 HydrophobicContact CD1-CZ2 4.04Å; L137-W161 HydrophobicContact CD1-CH2 4.43Å; L137-W161 HydrophobicContact CD2-CH2 3.86Å; L137-W161 HydrophobicContact CD2-CZ3 3.6Å; R157-W161 PolarHBondContact O-N 2.82Å; L158-W161 HydrophobicContact CD1-CE3 4.05Å; L158-W161 HydrophobicContact CD1-CZ3 4.31Å; L158-W161 PolarHBondContact O-N 3.04Å; L159-W161 PolarHBondContact O-N 3.38Å; W161-Q163 PolarHBondContact O-N 2.84Å; W161-E164 PolarHBondContact O-N 2.94Å; W161-M165 HydrophobicContact CD2-CG 4.36Å; W161-M165 HydrophobicContact CG-CG 4.31Å; W161-M165 HydrophobicContact CZ2-CE 4.43Å; W161-M165 HydrophobicContact CZ2-CG 4.36Å; W161-M165 WeakPolarHBondContact O-CB 3.37Å; W161-M165 WeakPolarHBondContact O-CG 3.31Å; W161-M165 PolarHBondContact O-N 2.91Å; W161-F167 HydrophobicContact CH2-CE2 4.04Å; W161-F167 AromaticContact CH2-CZ 3.85Å; W161-F167 HydrophobicContact CH2-CZ 3.85Å; W161-F167 HydrophobicContact CZ2-CE2 4.2Å; W161-F167 AromaticContact CZ2-CZ 3.89Å; W161-F167 HydrophobicContact CZ2-CZ 3.89Å; W161-F167 HydrophobicContact CZ3-CE2 4.26Å
162	I	69.8	Low	69.8	Low	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-40.9	175.1	-75.3	162.8	0	0	0	110.9	L137 L158 L159 S166 V170	L137-I162 HydrophobicContact CD2-CG1 4.25Å; L158-I162 HydrophobicContact CD1-CD1 3.78Å; L158-I162 HydrophobicContact CD1-CG1 4.25Å; L158-I162 HydrophobicContact CG-CD1 3.85Å; L158-I162 WeakPolarHBondContact O-CG1 3.42Å; L158-I162 PolarHBondContact O-N 2.8Å; L159-I162 HydrophobicContact CD2-CD1 4.37Å; L159-I162 PolarHBondContact O-N 2.81Å; I162-S166 PolarHBondContact O-N 3.1Å; I162-V170 HydrophobicContact CD1-CG1 3.97Å; I162-V170 HydrophobicContact CG1-CG1 4.32Å; I162-V170 HydrophobicContact CG2-CB 4.4Å; I162-V170 HydrophobicContact CG2-CG2 3.73Å
163	Q	71.7	Confident	70	Confident	85 Å²	85	49.9 Å²	49.9	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-67.2	-46	177.5	-73.2	173.5	-18.7	0	0	112	L159 G160 W161 M165 S166 Q245 C246	L159-Q163 WeakPolarHBondContact O-CB 3.26Å; L159-Q163 VanDerWaalsContact O-CG 3.29Å; L159-Q163 WeakPolarHBondContact O-CG 3.4Å; L159-Q163 PolarHBondContact O-N 3.39Å; G160-Q163 PolarHBondContact O-N 3.16Å; W161-Q163 PolarHBondContact O-N 2.84Å; Q163-M165 VanDerWaalsContact C-N 3.3Å; Q163-M165 PolarHBondContact O-N 2.79Å; Q163-S166 PolarHBondContact O-N 3.38Å; Q163-Q245 PolarHBondContact NE2-O 2.95Å; Q163-C246 WeakPolarHBondContact CG-SG 3.23Å; Q163-C246 PolarHBondContact NE2-SG 3.19Å; Q163-C246 VanDerWaalsContact NE2-SG 3.39Å
164	E	74.8	Confident	69.8	Low	147 Å²	147	46.8 Å²	46.8	69%	0.687	23%	0.225	S	C	*	.	H	α-helix	trans	-60.6	-39.4	178.5	-76.7	171.4	-174.7	0	0	112.1	G160 W161	G160-E164 VanDerWaalsContact O-CG 3.31Å; G160-E164 WeakPolarHBondContact O-CG 3.18Å; G160-E164 PolarHBondContact O-N 3.37Å; W161-E164 PolarHBondContact O-N 2.94Å
165	M	72.8	Confident	69.2	Low	25 Å²	25	47.2 Å²	47.2	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-78.9	-17.8	-174.4	-67.7	-58.5	-114.7	0	0	114.1	C123 L126 P132 W161 Q163 F167	C123-M165 VanDerWaalsContact CA-CE 3.43Å; C123-M165 HydrophobicContact CB-CE 3.47Å; C123-M165 VanDerWaalsContact CB-CE 3.47Å; C123-M165 HydrophobicContact CB-SD 4.35Å; C123-M165 VanDerWaalsContact SG-CE 3.5Å; L126-M165 HydrophobicContact CD1-CE 4.23Å; P132-M165 HydrophobicContact CB-CB 4.34Å; P132-M165 WeakPolarHBondContact CB-O 3.32Å; W161-M165 HydrophobicContact CD2-CG 4.36Å; W161-M165 HydrophobicContact CG-CG 4.31Å; W161-M165 HydrophobicContact CZ2-CE 4.43Å; W161-M165 HydrophobicContact CZ2-CG 4.36Å; W161-M165 WeakPolarHBondContact O-CB 3.37Å; W161-M165 WeakPolarHBondContact O-CG 3.31Å; W161-M165 PolarHBondContact O-N 2.91Å; Q163-M165 VanDerWaalsContact C-N 3.3Å; Q163-M165 PolarHBondContact O-N 2.79Å; M165-F167 HydrophobicContact CB-CD2 3.77Å; M165-F167 HydrophobicContact CB-CE1 4.45Å; M165-F167 HydrophobicContact CB-CE2 3.3Å; M165-F167 HydrophobicContact CB-CZ 3.7Å; M165-F167 HydrophobicContact CG-CE2 3.91Å; M165-F167 HydrophobicContact CG-CZ 4.08Å; M165-F167 PolarHBondContact O-N 2.96Å
166	S	78	Confident	68.3	Low	77 Å²	77	47.2 Å²	47.2	54%	0.538	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	44.2	177.9	-57.1	0	0	0	0	115	S133 I162 Q163	S133-S166 VanDerWaalsContact CA-O 3.3Å; S133-S166 WeakPolarHBondContact CA-O 3.25Å; I162-S166 PolarHBondContact O-N 3.1Å; Q163-S166 PolarHBondContact O-N 3.38Å
167	F	74.5	Confident	67.1	Low	5 Å²	5	42.8 Å²	42.8	2%	0.022	21%	0.212	C	C	.	.			trans	-57.1	151	177.6	-67.6	-74.6	0	0	0	113.5	L126 P132 L135 L137 W161 M165 S169 V170 N248	L126-F167 HydrophobicContact CD1-CZ 4.4Å; P132-F167 HydrophobicContact CB-CD1 4.08Å; P132-F167 HydrophobicContact CB-CE1 4.12Å; P132-F167 VanDerWaalsContact O-CA 3.31Å; P132-F167 WeakPolarHBondContact O-CA 3.48Å; L135-F167 HydrophobicContact CB-CD1 4.15Å; L135-F167 HydrophobicContact CD1-CE1 4.47Å; L137-F167 HydrophobicContact CB-CD1 4.01Å; L137-F167 HydrophobicContact CB-CD2 4.35Å; L137-F167 HydrophobicContact CB-CE1 4.23Å; L137-F167 HydrophobicContact CB-CG 4.07Å; L137-F167 HydrophobicContact CB-CZ 4.49Å; L137-F167 HydrophobicContact CD2-CD2 3.88Å; L137-F167 HydrophobicContact CD2-CE1 4.45Å; L137-F167 HydrophobicContact CD2-CE2 3.56Å; L137-F167 HydrophobicContact CD2-CG 4.44Å; L137-F167 HydrophobicContact CD2-CZ 3.88Å; W161-F167 HydrophobicContact CH2-CE2 4.04Å; W161-F167 AromaticContact CH2-CZ 3.85Å; W161-F167 HydrophobicContact CH2-CZ 3.85Å; W161-F167 HydrophobicContact CZ2-CE2 4.2Å; W161-F167 AromaticContact CZ2-CZ 3.89Å; W161-F167 HydrophobicContact CZ2-CZ 3.89Å; W161-F167 HydrophobicContact CZ3-CE2 4.26Å; M165-F167 HydrophobicContact CB-CD2 3.77Å; M165-F167 HydrophobicContact CB-CE1 4.45Å; M165-F167 HydrophobicContact CB-CE2 3.3Å; M165-F167 HydrophobicContact CB-CZ 3.7Å; M165-F167 HydrophobicContact CG-CE2 3.91Å; M165-F167 HydrophobicContact CG-CZ 4.08Å; M165-F167 PolarHBondContact O-N 2.96Å; F167-S169 VanDerWaalsContact C-N 3.32Å; F167-S169 PolarHBondContact O-N 2.87Å; F167-V170 HydrophobicContact CB-CG2 3.66Å; F167-V170 HydrophobicContact CD2-CG2 3.96Å; F167-V170 HydrophobicContact CG-CG2 4.1Å; F167-N248 PolarHBondContact O-ND2 2.86Å
168	R	75.2	Confident	65.6	Low	147 Å²	147	38 Å²	38	56%	0.555	20%	0.199	S	C	*	.	S	Bend	trans	-57.1	-48.2	174.9	-172.7	-179.4	167.8	179.3	-2.4	111.9	N24 P132 S133 L135	N24-R168 PolarHBondContact OD1-NH1 3.1Å; P132-R168 PolarHBondContact O-N 3.39Å; S133-R168 VanDerWaalsContact O-CB 3.3Å; S133-R168 WeakPolarHBondContact O-CB 3.26Å; L135-R168 VanDerWaalsContact O-CB 3.25Å; L135-R168 WeakPolarHBondContact O-CB 3.43Å; L135-R168 PolarHBondContact O-N 2.89Å
169	S	73.6	Confident	64	Low	31 Å²	31	38.3 Å²	38.3	22%	0.217	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148	174.8	-176.3	0	0	0	0	108.6	V136 L137 F167 N248	V136-S169 CarbonylContact C-O 3.47Å; V136-S169 VanDerWaalsContact CA-O 3.32Å; V136-S169 WeakPolarHBondContact CA-O 3.02Å; L137-S169 PolarHBondContact N-O 3.34Å; F167-S169 VanDerWaalsContact C-N 3.32Å; F167-S169 PolarHBondContact O-N 2.87Å; S169-N248 CarbonylContact C-O 3.56Å; S169-N248 VanDerWaalsContact CA-O 3.31Å; S169-N248 WeakPolarHBondContact CA-O 3.42Å; S169-N248 PolarHBondContact OG-O 3.3Å
170	V	69.2	Low	62.3	Low	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.7	173.5	-174.1	0	0	0	0	108.6	L137 V139 I162 F167 N248 L249 T250	L137-V170 HydrophobicContact CB-CG1 4.27Å; L137-V170 HydrophobicContact CB-CG2 4.2Å; L137-V170 HydrophobicContact CD2-CG1 3.98Å; L137-V170 HydrophobicContact CD2-CG2 4.36Å; L137-V170 HydrophobicContact CG-CG1 4.21Å; L137-V170 CarbonylContact O-C 3.57Å; L137-V170 VanDerWaalsContact O-CA 3.26Å; L137-V170 WeakPolarHBondContact O-CA 3.34Å; V139-V170 HydrophobicContact CG2-CG1 4.08Å; I162-V170 HydrophobicContact CD1-CG1 3.97Å; I162-V170 HydrophobicContact CG1-CG1 4.32Å; I162-V170 HydrophobicContact CG2-CB 4.4Å; I162-V170 HydrophobicContact CG2-CG2 3.73Å; F167-V170 HydrophobicContact CB-CG2 3.66Å; F167-V170 HydrophobicContact CD2-CG2 3.96Å; F167-V170 HydrophobicContact CG-CG2 4.1Å; V170-N248 PolarHBondContact N-O 2.95Å; V170-L249 HydrophobicContact CB-CB 4.49Å; V170-L249 HydrophobicContact CB-CD1 3.68Å; V170-L249 HydrophobicContact CG1-CD1 3.57Å; V170-L249 CarbonylContact O-C 3.58Å; V170-L249 WeakPolarHBondContact O-CA 3.44Å; V170-T250 PolarHBondContact O-N 3.3Å; V170-T250 VanDerWaalsContact O-O 3.13Å
171	I	68.7	Low	60.2	Low	38 Å²	38	46.1 Å²	46.1	20%	0.195	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.3	178.3	-64.2	177.3	0	0	0	107.1	V136 L137 V138 V139 L173 T250 Y252	V136-I171 HydrophobicContact CG1-CD1 4.04Å; V136-I171 HydrophobicContact CG1-CG1 4.34Å; L137-I171 PolarHBondContact O-N 2.99Å; V138-I171 CarbonylContact C-O 3.55Å; V138-I171 WeakPolarHBondContact CA-O 3.48Å; V138-I171 HydrophobicContact CG1-CB 4.39Å; V138-I171 HydrophobicContact CG1-CG2 4.23Å; V138-I171 HydrophobicContact CG2-CB 4.16Å; V138-I171 HydrophobicContact CG2-CD1 4.33Å; V139-I171 PolarHBondContact N-O 3.1Å; I171-L173 HydrophobicContact CG2-CD2 3.6Å; I171-L173 HydrophobicContact CG2-CG 4Å; I171-T250 CarbonylContact C-O 3.56Å; I171-T250 VanDerWaalsContact CA-O 3.25Å; I171-T250 WeakPolarHBondContact CA-O 3.22Å; I171-Y252 HydrophobicContact CG2-CD2 3.7Å; I171-Y252 HydrophobicContact CG2-CE2 3.98Å
172	L	67.2	Low	58.4	Low	5 Å²	5	57.2 Å²	57.2	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.1	172.3	-172.5	71.2	0	0	0	109	V139 L141 L158 I239 L249 T250 V251 Y252	V139-L172 HydrophobicContact CB-CD1 3.62Å; V139-L172 HydrophobicContact CG1-CD1 3.51Å; L141-L172 HydrophobicContact CB-CD1 3.72Å; L141-L172 HydrophobicContact CB-CG 4.38Å; L141-L172 HydrophobicContact CD2-CD1 4.08Å; L141-L172 HydrophobicContact CD2-CD2 4.05Å; L141-L172 HydrophobicContact CD2-CG 4.39Å; L158-L172 HydrophobicContact CD2-CD1 4.35Å; L172-I239 HydrophobicContact CD2-CD1 3.79Å; L172-I239 HydrophobicContact CD2-CG1 3.95Å; L172-I239 HydrophobicContact CD2-CG2 3.77Å; L172-L249 HydrophobicContact CB-CD1 4.23Å; L172-T250 PolarHBondContact N-O 3.35Å; L172-V251 HydrophobicContact CB-CG1 4.44Å; L172-V251 HydrophobicContact CB-CG2 4.26Å; L172-V251 HydrophobicContact CD2-CG1 4.38Å; L172-V251 HydrophobicContact CD2-CG2 4.46Å; L172-Y252 PolarHBondContact O-N 3.03Å; L172-Y252 VanDerWaalsContact O-O 3.13Å
173	L	64.5	Low	56.5	Low	51 Å²	51	62 Å²	62	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.6	172.1	-54.2	-178.8	0	0	0	108.1	V138 V139 L140 L141 I171 Y252 F254	V138-L173 HydrophobicContact CG1-CD1 3.51Å; V138-L173 HydrophobicContact CG1-CG 3.79Å; V139-L173 PolarHBondContact O-N 3.07Å; L140-L173 HydrophobicContact CD2-CB 3.76Å; L140-L173 HydrophobicContact CD2-CD1 3.47Å; L140-L173 VanDerWaalsContact CD2-CD1 3.47Å; L140-L173 HydrophobicContact CD2-CG 4.05Å; L141-L173 PolarHBondContact N-O 2.92Å; I171-L173 HydrophobicContact CG2-CD2 3.6Å; I171-L173 HydrophobicContact CG2-CG 4Å; L173-Y252 HydrophobicContact CD2-CD2 4.25Å; L173-Y252 HydrophobicContact CD2-CG 4.34Å; L173-F254 HydrophobicContact CD2-CE2 3.75Å
174	T	59.7	Low	54.7	Low	5 Å²	5	63.4 Å²	63.4	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148	176.7	-172	0	0	0	0	111.4	L141 I239 Y252 L253 F254	L141-T174 VanDerWaalsContact O-CA 3.31Å; L141-T174 WeakPolarHBondContact O-CA 3.49Å; L141-T174 VanDerWaalsContact O-CB 3.32Å; L141-T174 WeakPolarHBondContact O-CB 3.37Å; L141-T174 PolarHBondContact O-OG1 3.2Å; T174-I239 HydrophobicContact CG2-CD1 4.16Å; T174-Y252 PolarHBondContact N-O 2.83Å; T174-L253 HydrophobicContact CG2-CD1 3.71Å; T174-F254 PolarHBondContact O-N 2.83Å
175	S	53.1	Low	52.6	Low	42 Å²	42	65.5 Å²	65.5	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.9	177.7	56.4	0	0	0	0	111.9	P143 Y232 F254	P143-S175 WeakPolarHBondContact CG-O 3.21Å; S175-Y232 VanDerWaalsContact O-CE1 3.32Å; S175-Y232 WeakPolarHBondContact O-CE1 3.21Å; S175-F254 CarbonylContact C-O 3.58Å; S175-F254 WeakPolarHBondContact CA-O 3.19Å
176	S	46.1	Very low	50.7	Low	9 Å²	9	66 Å²	66	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.6	169.3	159.1	0	0	0	0	113.9	Y232 F254 F256	S176-Y232 VanDerWaalsContact CB-CE1 3.49Å; S176-Y232 WeakPolarHBondContact OG-CD1 3.29Å; S176-F254 PolarHBondContact N-O 3.46Å; S176-F256 PolarHBondContact O-N 3.15Å
177	W	42.4	Very low	48.5	Very low	53 Å²	53	65.8 Å²	65.8	20%	0.201	31%	0.308	C	S	.	.			trans	-97.6	111.6	168.7	-178.4	87.6	0	0	0	108.2	G179 S225 F227 Y232	W177-G179 VanDerWaalsContact CH2-N 3.34Å; W177-S225 WeakPolarHBondContact CH2-O 3.46Å; W177-S225 VanDerWaalsContact CZ2-N 3.32Å; W177-S225 WeakPolarHBondContact CZ2-O 3.25Å; W177-S225 WeakPolarHBondContact CZ3-O 3.4Å; W177-F227 HydrophobicContact CE3-CB 4.31Å; W177-F227 VanDerWaalsContact CZ3-C 3.44Å; W177-F227 HydrophobicContact CZ3-CB 4.39Å; W177-F227 WeakPolarHBondContact CZ3-O 3.21Å; W177-Y232 HydrophobicContact CB-CE2 3.79Å; W177-Y232 PolarHBondContact N-OH 3.39Å; W177-Y232 VanDerWaalsContact N-OH 3.16Å; W177-Y232 WeakPolarHBondContact O-CD2 3.29Å; W177-Y232 WeakPolarHBondContact O-CE2 3.33Å
178	A	35	Very low	46.4	Very low	22 Å²	22	67.3 Å²	67.3	18%	0.182	32%	0.319	C	S	.	.			trans	-99.6	105.1	177.6	0	0	0	0	0	110.4	I255 F257	A178-I255 HydrophobicContact CB-CG2 3.95Å; A178-F257 HydrophobicContact CB-CE1 4.18Å; A178-F257 HydrophobicContact CB-CE2 4.27Å; A178-F257 HydrophobicContact CB-CZ 3.77Å
179	G	35.3	Very low	44.2	Very low	9 Å²	9	61.7 Å²	61.7	9%	0.093	30%	0.301	C	S	.	.			trans	-74.6	125.7	164.9	0	0	0	0	0	110.7	W177 R181 V229	W177-G179 VanDerWaalsContact CH2-N 3.34Å; G179-R181 PolarHBondContact O-N 2.92Å; G179-V229 VanDerWaalsContact O-CG2 3.31Å; G179-V229 WeakPolarHBondContact O-CG2 3.42Å
180	I	34	Very low	42.1	Very low	58 Å²	58	61.4 Å²	61.4	30%	0.297	30%	0.303	S	S	.	.			trans	-57.8	104.9	175.1	-79.7	159.9	0	0	0	110	N187 P223	I180-N187 WeakPolarHBondContact CG2-OD1 3.32Å; I180-P223 HydrophobicContact CD1-CB 4.22Å
181	R	28.1	Very low	40.2	Very low	149 Å²	149	64.8 Å²	64.8	56%	0.562	32%	0.324	S	S	*	.			trans	-86.4	148.7	149	-88	-164.7	178.3	-166.4	8.1	107.9	G179 E183 E230	G179-R181 PolarHBondContact O-N 2.92Å; R181-E183 PolarHBondContact O-N 2.87Å; R181-E230 IonicContact NH2-OE1 3.89Å
182	R	32	Very low	38.6	Very low	241 Å²	241	63.2 Å²	63.2	91%	0.909	32%	0.315	S	S	*	.	S	Bend	trans	-67.2	55.4	174.5	-66.7	-179	176.3	-179.9	-1.8	112.4
183	E	31.3	Very low	36.9	Very low	104 Å²	104	67.6 Å²	67.6	49%	0.486	33%	0.332	S	S	.	.			trans	-100.7	131.4	163.4	-74.9	-179.7	-169.2	0	0	107.8	R181 Y185 L186	R181-E183 PolarHBondContact O-N 2.87Å; E183-Y185 PolarHBondContact O-N 3.23Å; E183-L186 PolarHBondContact O-N 3.26Å
184	P	32.3	Very low	35.4	Very low	113 Å²	113	67.2 Å²	67.2	73%	0.734	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.2	-169.7	20.4	-31.3	0	0	0	114.7
185	Y	32	Very low	34.1	Very low	192 Å²	192	74 Å²	74	75%	0.753	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.1	-177	-51.1	-74.7	0	0	0	114.7	E183	E183-Y185 PolarHBondContact O-N 3.23Å
186	L	32.9	Very low	33.1	Very low	34 Å²	34	74.8 Å²	74.8	18%	0.178	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-2.9	-170.5	-78.5	163.6	0	0	0	114.9	E183 S188 L211	E183-L186 PolarHBondContact O-N 3.26Å; L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.47Å; L186-L211 HydrophobicContact CD2-CD1 3.62Å
187	N	31.2	Very low	32.4	Very low	74 Å²	74	78.6 Å²	78.6	40%	0.396	38%	0.384	S	S	.	.			trans	-90.8	20.8	-176.7	-76	-10.9	0	0	0	114.5	I180	I180-N187 WeakPolarHBondContact CG2-OD1 3.32Å
188	S	29.7	Very low	31.8	Very low	37 Å²	37	83.3 Å²	83.3	26%	0.259	41%	0.413	S	S	.	.	S	Bend	trans	-109.3	133.5	180	-141.5	0	0	0	0	110.1	L186 G190 K213	L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.47Å; S188-G190 PolarHBondContact O-N 3.04Å; S188-K213 PolarHBondContact OG-NZ 2.85Å
189	P	29.9	Very low	31.5	Very low	29 Å²	29	85 Å²	85	19%	0.188	43%	0.427	C	S	.	.			trans	-65.3	132.4	174.6	26.9	-24.2	0	0	0	108.7	L220 A221	P189-L220 WeakPolarHBondContact CB-O 3.08Å; P189-A221 HydrophobicContact CB-CB 3.92Å; P189-A221 HydrophobicContact CG-CB 3.74Å
190	G	28.7	Very low	31.1	Very low	24 Å²	24	89.7 Å²	89.7	25%	0.247	45%	0.454	C	S	.	.	S	Bend	trans	162.8	148.4	179.4	0	0	0	0	0	113.4	S188 F192 F257	S188-G190 PolarHBondContact O-N 3.04Å; G190-F192 WeakPolarHBondContact O-CD2 3.24Å; G190-F192 WeakPolarHBondContact O-CE2 3.37Å; G190-F257 WeakPolarHBondContact O-CD2 3.27Å
191	V	31	Very low	31.1	Very low	72 Å²	72	93.4 Å²	93.4	44%	0.436	47%	0.468	S	S	.	.			trans	-77.3	125.2	168.5	179	0	0	0	0	107.9
192	F	33.8	Very low	31.4	Very low	5 Å²	5	90.6 Å²	90.6	2%	0.022	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.4	172.7	-58.2	-94.2	0	0	0	109	G190 L211 K213 I255 F257	G190-F192 WeakPolarHBondContact O-CD2 3.24Å; G190-F192 WeakPolarHBondContact O-CE2 3.37Å; F192-L211 HydrophobicContact CB-CD2 3.92Å; F192-L211 HydrophobicContact CD1-CB 3.67Å; F192-L211 HydrophobicContact CD1-CD1 4.47Å; F192-L211 HydrophobicContact CD1-CD2 4.46Å; F192-L211 HydrophobicContact CD1-CG 4.42Å; F192-L211 HydrophobicContact CE1-CB 4.16Å; F192-L211 HydrophobicContact CG-CB 4.39Å; F192-L211 HydrophobicContact CG-CD2 4.39Å; F192-K213 HydrophobicContact CE1-CB 4.23Å; F192-K213 HydrophobicContact CE1-CG 4.46Å; F192-I255 HydrophobicContact CB-CB 4.28Å; F192-I255 HydrophobicContact CB-CD1 4Å; F192-I255 HydrophobicContact CB-CG1 4.25Å; F192-I255 PolarHBondContact O-N 3.3Å; F192-F257 HydrophobicContact CD2-CD2 4.4Å; F192-F257 AromaticContact CD2-CE2 3.67Å; F192-F257 HydrophobicContact CD2-CE2 3.67Å; F192-F257 HydrophobicContact CE2-CD2 4.41Å; F192-F257 AromaticContact CE2-CE2 3.54Å; F192-F257 HydrophobicContact CE2-CE2 3.54Å; F192-F257 HydrophobicContact CE2-CZ 4.16Å
193	Y	31.6	Very low	31.6	Very low	96 Å²	96	84.6 Å²	84.6	38%	0.376	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.4	168.3	66.3	-95	0	0	0	110.4	R195 V214 L253	Y193-R195 HydrophobicContact CD2-CB 3.62Å; Y193-R195 HydrophobicContact CE2-CB 3.5Å; Y193-R195 VanDerWaalsContact CE2-CB 3.5Å; Y193-R195 HydrophobicContact CE2-CG 4.46Å; Y193-V214 HydrophobicContact CD1-CG2 4.05Å; Y193-V214 HydrophobicContact CE1-CG2 3.76Å; Y193-L253 WeakPolarHBondContact CA-O 3.43Å
194	L	34	Very low	32	Very low	43 Å²	43	85.5 Å²	85.5	23%	0.225	45%	0.454	C	S	.	.			trans	-93.9	116.4	162.7	-84.5	158.2	0	0	0	106.9	L209 M236 L253	L194-L209 HydrophobicContact CD2-CB 4.45Å; L194-L209 HydrophobicContact CD2-CD1 4.17Å; L194-L209 HydrophobicContact CD2-CD2 4.26Å; L194-M236 HydrophobicContact CD1-CE 3.49Å; L194-M236 VanDerWaalsContact CD1-CE 3.49Å; L194-L253 HydrophobicContact CB-CB 4.46Å; L194-L253 HydrophobicContact CD1-CD2 3.95Å
195	R	31.2	Very low	32.2	Very low	149 Å²	149	84.3 Å²	84.3	56%	0.562	44%	0.438	S	S	*	.			trans	-112.3	105.1	171	176.8	174.2	175.6	-170.3	-9.3	107.2	Y193 D197	Y193-R195 HydrophobicContact CD2-CB 3.62Å; Y193-R195 HydrophobicContact CE2-CB 3.5Å; Y193-R195 VanDerWaalsContact CE2-CB 3.5Å; Y193-R195 HydrophobicContact CE2-CG 4.46Å; R195-D197 WeakPolarHBondContact CG-OD1 3.31Å; R195-D197 IonicContact CZ-OD1 3.03Å; R195-D197 IonicContact CZ-OD2 3.73Å; R195-D197 IonicContact NE-OD1 2.82Å; R195-D197 PolarHBondContact NE-OD1 3.29Å; R195-D197 IonicContact NE-OD2 3.71Å; R195-D197 PolarHBondContact NE-OD2 2.79Å; R195-D197 IonicContact NH2-OD1 2.69Å; R195-D197 IonicContact NH2-OD2 2.86Å; R195-D197 PolarHBondContact NH2-OD2 2.68Å; R195-D197 PolarHBondContact O-N 3.35Å
196	A	33.4	Very low	32.4	Very low	57 Å²	57	77.5 Å²	77.5	47%	0.471	42%	0.415	S	S	.	.			trans	-94.3	77.7	173.7	0	0	0	0	0	108.9	N198	A196-N198 PolarHBondContact O-N 3.2Å
197	D	30	Very low	32.8	Very low	89 Å²	89	82 Å²	82	48%	0.476	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	124.3	167.7	-71	-6.7	0	0	0	108.4	R195	R195-D197 WeakPolarHBondContact CG-OD1 3.31Å; R195-D197 IonicContact CZ-OD1 3.03Å; R195-D197 IonicContact CZ-OD2 3.73Å; R195-D197 IonicContact NE-OD1 2.82Å; R195-D197 PolarHBondContact NE-OD1 3.29Å; R195-D197 IonicContact NE-OD2 3.71Å; R195-D197 PolarHBondContact NE-OD2 2.79Å; R195-D197 IonicContact NH2-OD1 2.69Å; R195-D197 IonicContact NH2-OD2 2.86Å; R195-D197 PolarHBondContact NH2-OD2 2.68Å; R195-D197 PolarHBondContact O-N 3.35Å
198	N	30.2	Very low	33	Very low	152 Å²	152	84.7 Å²	84.7	81%	0.813	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	56.6	172	-60	-30.9	0	0	0	115	A196 T200	A196-N198 PolarHBondContact O-N 3.2Å; N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.21Å
199	A	28.6	Very low	33.3	Very low	58 Å²	58	87.6 Å²	87.6	48%	0.479	46%	0.459	S	S	.	.			trans	-56.4	86.4	-178.5	0	0	0	0	0	114
200	T	26.7	Very low	33.5	Very low	107 Å²	107	91 Å²	91	66%	0.656	48%	0.484	S	S	*	.			trans	-119.3	135.1	148.9	59.2	0	0	0	0	102.6	N198	N198-T200 VanDerWaalsContact C-N 3.31Å; N198-T200 PolarHBondContact O-N 3.21Å
201	K	34.7	Very low	33.9	Very low	137 Å²	137	93 Å²	93	60%	0.596	49%	0.489	S	S	*	.	S	Bend	cis	-153	141.5	32	-53.5	127.6	-174	-179.6	0	110.3	E205	K201-E205 WeakPolarHBondContact CA-OE2 3.46Å; K201-E205 VanDerWaalsContact CB-OE2 3.29Å; K201-E205 WeakPolarHBondContact CB-OE2 3.18Å; K201-E205 PolarHBondContact N-OE2 3.41Å; K201-E205 WeakPolarHBondContact O-CB 3.15Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å
202	T	35.1	Very low	33.9	Very low	89 Å²	89	94.4 Å²	94.4	55%	0.546	50%	0.497	S	S	.	.			trans	54.8	150	162.9	76.9	0	0	0	0	121.6	E204 E205 L206	T202-E204 PolarHBondContact O-N 3.47Å; T202-E204 VanDerWaalsContact O-N 3.1Å; T202-E205 PolarHBondContact O-N 3.28Å; T202-E205 VanDerWaalsContact O-N 3.1Å; T202-L206 PolarHBondContact O-N 3.48Å
203	E	35.1	Very low	33.8	Very low	116 Å²	116	98.3 Å²	98.3	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-58.6	-22.4	177.6	-164.8	170.5	-151.5	0	0	113	N207 K241	E203-N207 PolarHBondContact O-N 3.06Å; E203-N207 PolarHBondContact O-ND2 2.7Å; E203-K241 WeakPolarHBondContact OE1-CE 3.45Å; E203-K241 IonicContact OE1-NZ 2.78Å; E203-K241 PolarHBondContact OE1-NZ 2.89Å
204	E	39.9	Very low	33.8	Very low	122 Å²	122	96.9 Å²	96.9	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-74.4	-33.4	177.1	-153.4	-165.4	139.8	0	0	113.1	T202 K208	T202-E204 PolarHBondContact O-N 3.47Å; T202-E204 VanDerWaalsContact O-N 3.1Å; E204-K208 WeakPolarHBondContact O-CG 3.06Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 IonicContact OE1-NZ 2.91Å; E204-K208 PolarHBondContact OE1-NZ 3.28Å
205	E	37	Very low	33.4	Very low	88 Å²	88	99.9 Å²	99.9	41%	0.411	54%	0.538	S	S	.	.	H	α-helix	trans	-78.2	-30.8	175.8	-56	-176.7	165.3	0	0	111.4	K201 T202 N207 K208 L209	K201-E205 WeakPolarHBondContact CA-OE2 3.46Å; K201-E205 VanDerWaalsContact CB-OE2 3.29Å; K201-E205 WeakPolarHBondContact CB-OE2 3.18Å; K201-E205 PolarHBondContact N-OE2 3.41Å; K201-E205 WeakPolarHBondContact O-CB 3.15Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; T202-E205 PolarHBondContact O-N 3.28Å; T202-E205 VanDerWaalsContact O-N 3.1Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.46Å; E205-K208 CarbonylContact O-C 3.59Å; E205-K208 WeakPolarHBondContact O-CA 3.49Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.29Å; E205-L209 PolarHBondContact O-N 2.85Å
206	L	36.4	Very low	33.3	Very low	49 Å²	49	100.9 Å²	100.9	26%	0.257	55%	0.549	S	S	.	.	H	α-helix	trans	-59.9	-39.6	170.1	-75.3	174.9	0	0	0	112	T202 K208 L209 A240 M244	T202-L206 PolarHBondContact O-N 3.48Å; L206-K208 PolarHBondContact O-N 3.4Å; L206-L209 HydrophobicContact CD2-CD1 3.5Å; L206-L209 VanDerWaalsContact CD2-CD1 3.5Å; L206-L209 HydrophobicContact CD2-CG 4.47Å; L206-L209 WeakPolarHBondContact O-CB 3.47Å; L206-L209 PolarHBondContact O-N 2.98Å; L206-A240 HydrophobicContact CD1-CB 4.46Å; L206-A240 HydrophobicContact CD2-CB 3.92Å; L206-M244 HydrophobicContact CD1-CE 3.37Å; L206-M244 HydrophobicContact CD1-SD 3.68Å
207	N	40.3	Very low	33.1	Very low	130 Å²	130	106.2 Å²	106.2	70%	0.695	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-12	173.9	-72	-27.6	0	0	0	113.4	E203 E205	E203-N207 PolarHBondContact O-N 3.06Å; E203-N207 PolarHBondContact O-ND2 2.7Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.46Å
208	K	36.9	Very low	33	Very low	129 Å²	129	107 Å²	107	56%	0.561	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-1.4	177.1	-68.5	169.7	-172.9	163.6	0	113.1	E204 E205 L206 S210	E204-K208 WeakPolarHBondContact O-CG 3.06Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 IonicContact OE1-NZ 2.91Å; E204-K208 PolarHBondContact OE1-NZ 3.28Å; E205-K208 CarbonylContact O-C 3.59Å; E205-K208 WeakPolarHBondContact O-CA 3.49Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.29Å; L206-K208 PolarHBondContact O-N 3.4Å; K208-S210 PolarHBondContact O-N 3.29Å; K208-S210 PolarHBondContact O-OG 2.99Å
209	L	35.4	Very low	33.1	Very low	99 Å²	99	108.6 Å²	108.6	52%	0.518	58%	0.576	S	S	.	*			trans	-57.6	105.8	179.2	-80.2	170.3	0	0	0	110.4	L194 E205 L206	L194-L209 HydrophobicContact CD2-CB 4.45Å; L194-L209 HydrophobicContact CD2-CD1 4.17Å; L194-L209 HydrophobicContact CD2-CD2 4.26Å; E205-L209 PolarHBondContact O-N 2.85Å; L206-L209 HydrophobicContact CD2-CD1 3.5Å; L206-L209 VanDerWaalsContact CD2-CD1 3.5Å; L206-L209 HydrophobicContact CD2-CG 4.47Å; L206-L209 WeakPolarHBondContact O-CB 3.47Å; L206-L209 PolarHBondContact O-N 2.98Å
210	S	34.8	Very low	33.1	Very low	100 Å²	100	113.2 Å²	113.2	70%	0.699	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-93.5	124.6	174.8	12.2	0	0	0	0	108.2	K208 T212	K208-S210 PolarHBondContact O-N 3.29Å; K208-S210 PolarHBondContact O-OG 2.99Å; S210-T212 PolarHBondContact O-N 2.82Å
211	L	36.1	Very low	33.2	Very low	67 Å²	67	110.5 Å²	110.5	35%	0.351	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-54.2	121	175.4	-71.1	162	0	0	0	109.5	L186 F192 I255	L186-L211 HydrophobicContact CD2-CD1 3.62Å; F192-L211 HydrophobicContact CB-CD2 3.92Å; F192-L211 HydrophobicContact CD1-CB 3.67Å; F192-L211 HydrophobicContact CD1-CD1 4.47Å; F192-L211 HydrophobicContact CD1-CD2 4.46Å; F192-L211 HydrophobicContact CD1-CG 4.42Å; F192-L211 HydrophobicContact CE1-CB 4.16Å; F192-L211 HydrophobicContact CG-CB 4.39Å; F192-L211 HydrophobicContact CG-CD2 4.39Å; L211-I255 HydrophobicContact CD2-CD1 3.97Å
212	T	31.8	Very low	32.8	Very low	100 Å²	100	111.6 Å²	111.6	61%	0.613	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	118.8	175.9	-45.1	0	0	0	0	108.7	S210	S210-T212 PolarHBondContact O-N 2.82Å
213	K	31.9	Very low	32.4	Very low	88 Å²	88	110.7 Å²	110.7	38%	0.383	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.7	128.8	-179.2	-173.7	-178.9	175.3	-177.2	0	110.2	S188 F192	S188-K213 PolarHBondContact OG-NZ 2.85Å; F192-K213 HydrophobicContact CE1-CB 4.23Å; F192-K213 HydrophobicContact CE1-CG 4.46Å
214	V	30.7	Very low	32.2	Very low	65 Å²	65	107.2 Å²	107.2	39%	0.394	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-70.1	129.5	164.8	179.9	0	0	0	0	108	Y193 E216	Y193-V214 HydrophobicContact CD1-CG2 4.05Å; Y193-V214 HydrophobicContact CE1-CG2 3.76Å; V214-E216 PolarHBondContact O-N 3.46Å
215	P	25.1	Very low	31.5	Very low	107 Å²	107	103.1 Å²	103.1	70%	0.695	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-74	118.8	-176.4	26.6	-26.9	0	0	0	110.2
216	E	30.1	Very low	31	Very low	170 Å²	170	101.8 Å²	101.8	79%	0.794	58%	0.578	S	S	*	*			trans	-166.2	167.5	147.8	-108.3	170.8	-152	0	0	112.1	V214	V214-E216 PolarHBondContact O-N 3.46Å
217	E	29.2	Very low	30.7	Very low	168 Å²	168	107.4 Å²	107.4	79%	0.785	60%	0.601	S	S	*	*			trans	-60.3	149.7	-147.2	-62	-175.7	159.8	0	0	118	E219	E217-E219 PolarHBondContact O-N 3.24Å
218	P	28.1	Very low	30.6	Very low	107 Å²	107	103.1 Å²	103.1	70%	0.695	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	13.7	-158.4	-9.3	28.7	0	0	0	118
219	E	31.1	Very low	30.5	Very low	184 Å²	184	98.9 Å²	98.9	86%	0.86	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	5.2	-165.6	-63.6	-164	168	0	0	116.6	E217	E217-E219 PolarHBondContact O-N 3.24Å
220	L	28.8	Very low	30.5	Very low	156 Å²	156	101 Å²	101	82%	0.817	58%	0.575	S	S	*	*			trans	-125.1	38	-166	-87.5	161.1	0	0	0	117.6	P189	P189-L220 WeakPolarHBondContact CB-O 3.08Å
221	A	28.1	Very low	31	Very low	49 Å²	49	97.5 Å²	97.5	41%	0.405	55%	0.547	S	S	.	.			trans	-106.3	126.2	174.9	0	0	0	0	0	114.5	P189	P189-A221 HydrophobicContact CB-CB 3.92Å; P189-A221 HydrophobicContact CG-CB 3.74Å
222	L	27.3	Very low	31.6	Very low	160 Å²	160	95.6 Å²	95.6	84%	0.838	54%	0.536	S	S	*	.			trans	-133.4	151.2	168.6	-73.8	173.7	0	0	0	111.4
223	P	27.5	Very low	32.4	Very low	70 Å²	70	95.7 Å²	95.7	46%	0.455	53%	0.533	S	S	.	.			trans	-87.4	141.5	-168.4	34.7	-32.8	0	0	0	113.9	I180	I180-P223 HydrophobicContact CD1-CB 4.22Å
224	G	29.4	Very low	33.4	Very low	43 Å²	43	94 Å²	94	44%	0.443	53%	0.532	S	S	.	.			trans	-130.2	168.3	-178.3	0	0	0	0	0	114.7
225	S	26.5	Very low	34.5	Very low	36 Å²	36	91.2 Å²	91.2	25%	0.252	51%	0.514	S	S	.	.			trans	-75.1	101.3	-155.6	49.6	0	0	0	0	123.3	W177 F227 Y376	W177-S225 WeakPolarHBondContact CH2-O 3.46Å; W177-S225 VanDerWaalsContact CZ2-N 3.32Å; W177-S225 WeakPolarHBondContact CZ2-O 3.25Å; W177-S225 WeakPolarHBondContact CZ3-O 3.4Å; S225-F227 PolarHBondContact O-N 3.42Å; S225-Y376 WeakPolarHBondContact CA-OH 3.24Å; S225-Y376 VanDerWaalsContact CB-OH 3.24Å; S225-Y376 WeakPolarHBondContact CB-OH 3.32Å
226	G	26	Very low	36.1	Very low	61 Å²	61	87.2 Å²	87.2	63%	0.629	49%	0.487	S	S	*	.			trans	39.8	9.3	141.6	0	0	0	0	0	126	Y376	G226-Y376 PolarHBondContact N-OH 3.18Å; G226-Y376 VanDerWaalsContact N-OH 3.16Å
227	F	29	Very low	37.3	Very low	167 Å²	167	82.3 Å²	82.3	73%	0.732	47%	0.469	S	S	*	.	S	Bend	trans	-103	81.1	175	-104.1	-88.7	0	0	0	113.1	W177 S225	W177-F227 HydrophobicContact CE3-CB 4.31Å; W177-F227 VanDerWaalsContact CZ3-C 3.44Å; W177-F227 HydrophobicContact CZ3-CB 4.39Å; W177-F227 WeakPolarHBondContact CZ3-O 3.21Å; S225-F227 PolarHBondContact O-N 3.42Å
228	A	38.6	Very low	38.8	Very low	39 Å²	39	76.4 Å²	76.4	32%	0.322	44%	0.441	S	S	.	.			trans	71.6	75.5	147.1	0	0	0	0	0	118.6	E230 F231 Y232	A228-E230 VanDerWaalsContact C-N 3.33Å; A228-F231 HydrophobicContact CB-CB 3.26Å; A228-F231 HydrophobicContact CB-CD1 4.35Å; A228-F231 HydrophobicContact CB-CG 4Å; A228-F231 WeakPolarHBondContact O-CB 3.11Å; A228-F231 PolarHBondContact O-N 3.39Å; A228-Y232 VanDerWaalsContact O-CD2 3.3Å; A228-Y232 WeakPolarHBondContact O-CD2 3.25Å; A228-Y232 PolarHBondContact O-N 3.08Å
229	V	35.4	Very low	40.2	Very low	41 Å²	41	71.5 Å²	71.5	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-36.9	162.5	174.5	0	0	0	0	111.8	G179 F231 Y232 N233	G179-V229 VanDerWaalsContact O-CG2 3.31Å; G179-V229 WeakPolarHBondContact O-CG2 3.42Å; V229-F231 VanDerWaalsContact C-N 3.27Å; V229-F231 PolarHBondContact O-N 2.95Å; V229-Y232 PolarHBondContact O-N 3.17Å; V229-N233 PolarHBondContact O-N 2.86Å
230	E	36	Very low	41.4	Very low	142 Å²	142	63.7 Å²	63.7	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-63.5	-33.2	175	-73.6	165.1	-167.8	0	0	112.4	R181 A228 S234	R181-E230 IonicContact NH2-OE1 3.89Å; A228-E230 VanDerWaalsContact C-N 3.33Å; E230-S234 WeakPolarHBondContact O-CB 3.34Å; E230-S234 PolarHBondContact O-N 2.93Å
231	F	44.8	Very low	42.8	Very low	28 Å²	28	60.1 Å²	60.1	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-43.7	175.8	160.3	-90.4	0	0	0	111.9	P143 E145 A228 V229 I235	P143-F231 HydrophobicContact CB-CE1 4.18Å; P143-F231 HydrophobicContact CB-CZ 4.02Å; P143-F231 HydrophobicContact CG-CE1 4.35Å; P143-F231 WeakPolarHBondContact O-CE2 3.18Å; P143-F231 WeakPolarHBondContact O-CZ 3.48Å; E145-F231 WeakPolarHBondContact O-CE2 3.29Å; A228-F231 HydrophobicContact CB-CB 3.26Å; A228-F231 HydrophobicContact CB-CD1 4.35Å; A228-F231 HydrophobicContact CB-CG 4Å; A228-F231 WeakPolarHBondContact O-CB 3.11Å; A228-F231 PolarHBondContact O-N 3.39Å; V229-F231 VanDerWaalsContact C-N 3.27Å; V229-F231 PolarHBondContact O-N 2.95Å; F231-I235 HydrophobicContact CD1-CD1 4.31Å; F231-I235 HydrophobicContact CD2-CD1 4.16Å; F231-I235 HydrophobicContact CE1-CD1 4.03Å; F231-I235 HydrophobicContact CE2-CD1 3.88Å; F231-I235 HydrophobicContact CG-CD1 4.36Å; F231-I235 HydrophobicContact CZ-CD1 3.82Å; F231-I235 WeakPolarHBondContact O-CG1 3.34Å; F231-I235 PolarHBondContact O-N 2.55Å
232	Y	48.2	Very low	44.2	Very low	27 Å²	27	58 Å²	58	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-70.3	-43.2	176.2	-78.8	-68.4	0	0	0	112.5	P143 S175 S176 W177 A228 V229 S234 I235 M236	P143-Y232 HydrophobicContact CB-CE1 4.42Å; P143-Y232 HydrophobicContact CG-CD1 4.44Å; P143-Y232 HydrophobicContact CG-CE1 3.51Å; S175-Y232 VanDerWaalsContact O-CE1 3.32Å; S175-Y232 WeakPolarHBondContact O-CE1 3.21Å; S176-Y232 VanDerWaalsContact CB-CE1 3.49Å; S176-Y232 WeakPolarHBondContact OG-CD1 3.29Å; W177-Y232 HydrophobicContact CB-CE2 3.79Å; W177-Y232 PolarHBondContact N-OH 3.39Å; W177-Y232 VanDerWaalsContact N-OH 3.16Å; W177-Y232 WeakPolarHBondContact O-CD2 3.29Å; W177-Y232 WeakPolarHBondContact O-CE2 3.33Å; A228-Y232 VanDerWaalsContact O-CD2 3.3Å; A228-Y232 WeakPolarHBondContact O-CD2 3.25Å; A228-Y232 PolarHBondContact O-N 3.08Å; V229-Y232 PolarHBondContact O-N 3.17Å; Y232-S234 VanDerWaalsContact C-N 3.3Å; Y232-S234 PolarHBondContact O-N 2.87Å; Y232-I235 PolarHBondContact O-N 3.36Å; Y232-M236 VanDerWaalsContact O-CB 3.28Å; Y232-M236 WeakPolarHBondContact O-CB 3.34Å; Y232-M236 WeakPolarHBondContact O-CG 3.18Å; Y232-M236 PolarHBondContact O-N 3.21Å
233	N	48.7	Very low	45.6	Very low	102 Å²	102	51.2 Å²	51.2	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-42.7	176	-80	-8.2	0	0	0	111.9	V229 M236 V237	V229-N233 PolarHBondContact O-N 2.86Å; N233-M236 PolarHBondContact O-N 2.91Å; N233-V237 WeakPolarHBondContact O-CB 3.39Å; N233-V237 VanDerWaalsContact O-CG2 3.23Å; N233-V237 WeakPolarHBondContact O-CG2 3.32Å; N233-V237 PolarHBondContact O-N 3.06Å
234	S	52.1	Low	47.1	Very low	53 Å²	53	52.1 Å²	52.1	37%	0.371	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-44.8	177.6	-177	0	0	0	0	112.3	E230 Y232 E238	E230-S234 WeakPolarHBondContact O-CB 3.34Å; E230-S234 PolarHBondContact O-N 2.93Å; Y232-S234 VanDerWaalsContact C-N 3.3Å; Y232-S234 PolarHBondContact O-N 2.87Å; S234-E238 WeakPolarHBondContact O-CG 3.5Å; S234-E238 PolarHBondContact O-N 2.94Å
235	I	55.2	Low	48.6	Very low	5 Å²	5	56.4 Å²	56.4	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-40	178.8	-69.3	171.1	0	0	0	110.5	P143 L155 F231 Y232 E238 I239	P143-I235 HydrophobicContact CB-CD1 3.43Å; P143-I235 VanDerWaalsContact CB-CD1 3.43Å; P143-I235 HydrophobicContact CB-CG2 4.39Å; L155-I235 HydrophobicContact CD1-CG2 4.32Å; F231-I235 HydrophobicContact CD1-CD1 4.31Å; F231-I235 HydrophobicContact CD2-CD1 4.16Å; F231-I235 HydrophobicContact CE1-CD1 4.03Å; F231-I235 HydrophobicContact CE2-CD1 3.88Å; F231-I235 HydrophobicContact CG-CD1 4.36Å; F231-I235 HydrophobicContact CZ-CD1 3.82Å; F231-I235 WeakPolarHBondContact O-CG1 3.34Å; F231-I235 PolarHBondContact O-N 2.55Å; Y232-I235 PolarHBondContact O-N 3.36Å; I235-E238 PolarHBondContact O-N 3.05Å; I235-I239 HydrophobicContact CG2-CD1 3.51Å; I235-I239 HydrophobicContact CG2-CG1 4.17Å; I235-I239 WeakPolarHBondContact O-CB 3.26Å; I235-I239 VanDerWaalsContact O-CG1 3.24Å; I235-I239 WeakPolarHBondContact O-CG1 3.38Å; I235-I239 PolarHBondContact O-N 2.73Å
236	M	57.2	Low	50.4	Low	23 Å²	23	54.8 Å²	54.8	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-38.1	178.1	-71.4	-48.2	-54.2	0	0	112.6	L194 Y232 N233 I239 A240 L253	L194-M236 HydrophobicContact CD1-CE 3.49Å; L194-M236 VanDerWaalsContact CD1-CE 3.49Å; Y232-M236 VanDerWaalsContact O-CB 3.28Å; Y232-M236 WeakPolarHBondContact O-CB 3.34Å; Y232-M236 WeakPolarHBondContact O-CG 3.18Å; Y232-M236 PolarHBondContact O-N 3.21Å; N233-M236 PolarHBondContact O-N 2.91Å; M236-I239 HydrophobicContact SD-CD1 4.42Å; M236-A240 WeakPolarHBondContact O-CB 3.24Å; M236-A240 PolarHBondContact O-N 3.33Å; M236-L253 HydrophobicContact CE-CB 4.01Å; M236-L253 HydrophobicContact CE-CD1 4.42Å; M236-L253 HydrophobicContact CE-CD2 3.73Å; M236-L253 HydrophobicContact CE-CG 4.26Å; M236-L253 HydrophobicContact CG-CD2 4.12Å; M236-L253 HydrophobicContact SD-CB 4.31Å; M236-L253 HydrophobicContact SD-CD1 3.61Å; M236-L253 HydrophobicContact SD-CD2 3.64Å; M236-L253 HydrophobicContact SD-CG 4.04Å
237	V	56	Low	52.4	Low	68 Å²	68	58.3 Å²	58.3	41%	0.412	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-41.4	172.1	170.2	0	0	0	0	110.5	N233 A240 K241	N233-V237 WeakPolarHBondContact O-CB 3.39Å; N233-V237 VanDerWaalsContact O-CG2 3.23Å; N233-V237 WeakPolarHBondContact O-CG2 3.32Å; N233-V237 PolarHBondContact O-N 3.06Å; V237-A240 PolarHBondContact O-N 2.51Å; V237-K241 HydrophobicContact CG1-CD 4.06Å; V237-K241 HydrophobicContact CG1-CG 4.45Å; V237-K241 VanDerWaalsContact O-CB 3.3Å; V237-K241 WeakPolarHBondContact O-CB 3.47Å; V237-K241 VanDerWaalsContact O-CG 3.23Å; V237-K241 WeakPolarHBondContact O-CG 3.28Å; V237-K241 PolarHBondContact O-N 3.24Å
238	E	60.2	Low	54.2	Low	44 Å²	44	52.2 Å²	52.2	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-44	176.2	-75.7	-171.5	173.2	0	0	112.4	H152 L155 S234 I235 K241 A242	H152-E238 IonicContact CE1-OE1 2.68Å; H152-E238 IonicContact CG-OE1 2.9Å; H152-E238 IonicContact ND1-OE1 3.9Å; H152-E238 PolarHBondContact ND1-OE1 3.38Å; H152-E238 IonicContact ND1-OE2 2.7Å; L155-E238 HydrophobicContact CD1-CB 4.05Å; L155-E238 VanDerWaalsContact CD1-OE2 3.24Å; L155-E238 WeakPolarHBondContact CD1-OE2 3.48Å; S234-E238 WeakPolarHBondContact O-CG 3.5Å; S234-E238 PolarHBondContact O-N 2.94Å; I235-E238 PolarHBondContact O-N 3.05Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-A242 VanDerWaalsContact O-CB 3.31Å; E238-A242 WeakPolarHBondContact O-CB 3.14Å; E238-A242 PolarHBondContact O-N 3.13Å
239	I	58.9	Low	55.4	Low	4 Å²	4	51 Å²	51	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-40.4	176.1	-70	170.6	0	0	0	110.9	L141 L155 L172 T174 I235 M236 A242 S243 V251	L141-I239 HydrophobicContact CD2-CD1 3.99Å; L155-I239 HydrophobicContact CD2-CG1 4.29Å; L172-I239 HydrophobicContact CD2-CD1 3.79Å; L172-I239 HydrophobicContact CD2-CG1 3.95Å; L172-I239 HydrophobicContact CD2-CG2 3.77Å; T174-I239 HydrophobicContact CG2-CD1 4.16Å; I235-I239 HydrophobicContact CG2-CD1 3.51Å; I235-I239 HydrophobicContact CG2-CG1 4.17Å; I235-I239 WeakPolarHBondContact O-CB 3.26Å; I235-I239 VanDerWaalsContact O-CG1 3.24Å; I235-I239 WeakPolarHBondContact O-CG1 3.38Å; I235-I239 PolarHBondContact O-N 2.73Å; M236-I239 HydrophobicContact SD-CD1 4.42Å; I239-A242 VanDerWaalsContact O-CB 3.27Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 2.88Å; I239-S243 PolarHBondContact O-N 2.81Å; I239-S243 PolarHBondContact O-OG 3.37Å; I239-V251 HydrophobicContact CG2-CB 4.04Å; I239-V251 HydrophobicContact CG2-CG1 3.45Å; I239-V251 VanDerWaalsContact CG2-CG1 3.45Å; I239-V251 HydrophobicContact CG2-CG2 3.48Å; I239-V251 VanDerWaalsContact CG2-CG2 3.48Å
240	A	56.1	Low	56.6	Low	19 Å²	19	51.1 Å²	51.1	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-41.1	175.2	0	0	0	0	0	111.6	L206 M236 V237 A242 S243 M244	L206-A240 HydrophobicContact CD1-CB 4.46Å; L206-A240 HydrophobicContact CD2-CB 3.92Å; M236-A240 WeakPolarHBondContact O-CB 3.24Å; M236-A240 PolarHBondContact O-N 3.33Å; V237-A240 PolarHBondContact O-N 2.51Å; A240-A242 PolarHBondContact O-N 3.42Å; A240-S243 WeakPolarHBondContact CA-OG 3.4Å; A240-S243 PolarHBondContact O-N 3.47Å; A240-S243 PolarHBondContact O-OG 3.1Å; A240-M244 WeakPolarHBondContact O-CG 3.1Å; A240-M244 PolarHBondContact O-N 2.89Å
241	K	58.7	Low	57.5	Low	82 Å²	82	45 Å²	45	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-37.1	171.7	-76.6	179	179.2	-163.2	0	111.9	E203 V237 E238 M244	E203-K241 WeakPolarHBondContact OE1-CE 3.45Å; E203-K241 IonicContact OE1-NZ 2.78Å; E203-K241 PolarHBondContact OE1-NZ 2.89Å; V237-K241 HydrophobicContact CG1-CD 4.06Å; V237-K241 HydrophobicContact CG1-CG 4.45Å; V237-K241 VanDerWaalsContact O-CB 3.3Å; V237-K241 WeakPolarHBondContact O-CB 3.47Å; V237-K241 VanDerWaalsContact O-CG 3.23Å; V237-K241 WeakPolarHBondContact O-CG 3.28Å; V237-K241 PolarHBondContact O-N 3.24Å; E238-K241 PolarHBondContact O-N 3.26Å; K241-M244 HydrophobicContact CB-CE 4.18Å; K241-M244 HydrophobicContact CG-CE 3.78Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 2.87Å
242	A	56.5	Low	58	Low	4 Å²	4	47.8 Å²	47.8	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-43.8	176.8	0	0	0	0	0	113.6	L159 E238 I239 A240 M244 Q245 C246	L159-A242 HydrophobicContact CD1-CB 3.13Å; L159-A242 HydrophobicContact CD2-CB 3.41Å; L159-A242 VanDerWaalsContact CD2-CB 3.41Å; L159-A242 HydrophobicContact CG-CB 3.8Å; E238-A242 VanDerWaalsContact O-CB 3.31Å; E238-A242 WeakPolarHBondContact O-CB 3.14Å; E238-A242 PolarHBondContact O-N 3.13Å; I239-A242 VanDerWaalsContact O-CB 3.27Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 2.88Å; A240-A242 PolarHBondContact O-N 3.42Å; A242-M244 PolarHBondContact O-N 3.34Å; A242-Q245 PolarHBondContact O-N 3.06Å; A242-C246 PolarHBondContact O-N 3.27Å; A242-C246 VanDerWaalsContact O-N 3.16Å
243	S	56.8	Low	58.1	Low	18 Å²	18	46.7 Å²	46.7	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-27.7	175.7	59.2	0	0	0	0	112	I239 A240 Q245	I239-S243 PolarHBondContact O-N 2.81Å; I239-S243 PolarHBondContact O-OG 3.37Å; A240-S243 WeakPolarHBondContact CA-OG 3.4Å; A240-S243 PolarHBondContact O-N 3.47Å; A240-S243 PolarHBondContact O-OG 3.1Å; S243-Q245 VanDerWaalsContact C-N 3.26Å; S243-Q245 PolarHBondContact O-N 3.11Å
244	M	58	Low	58	Low	88 Å²	88	45.4 Å²	45.4	43%	0.433	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.5	172.2	-68.5	-168.9	-72.7	0	0	113.7	L206 A240 K241 A242	L206-M244 HydrophobicContact CD1-CE 3.37Å; L206-M244 HydrophobicContact CD1-SD 3.68Å; A240-M244 WeakPolarHBondContact O-CG 3.1Å; A240-M244 PolarHBondContact O-N 2.89Å; K241-M244 HydrophobicContact CB-CE 4.18Å; K241-M244 HydrophobicContact CG-CE 3.78Å; K241-M244 WeakPolarHBondContact O-CB 3.39Å; K241-M244 PolarHBondContact O-N 2.87Å; A242-M244 PolarHBondContact O-N 3.34Å
245	Q	62.6	Low	57.5	Low	134 Å²	134	43.4 Å²	43.4	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.5	-178.1	-61.5	178.1	8.9	0	0	113.1	Q163 A242 S243	Q163-Q245 PolarHBondContact NE2-O 2.95Å; A242-Q245 PolarHBondContact O-N 3.06Å; S243-Q245 VanDerWaalsContact C-N 3.26Å; S243-Q245 PolarHBondContact O-N 3.11Å
246	C	63.9	Low	56.5	Low	2 Å²	2	47 Å²	47	1%	0.014	24%	0.243	C	C	.	.			trans	-128	89.7	-177.8	-62.5	0	0	0	0	109.1	Q163 A242 N248 L249	Q163-C246 WeakPolarHBondContact CG-SG 3.23Å; Q163-C246 PolarHBondContact NE2-SG 3.19Å; Q163-C246 VanDerWaalsContact NE2-SG 3.39Å; A242-C246 PolarHBondContact O-N 3.27Å; A242-C246 VanDerWaalsContact O-N 3.16Å; C246-N248 PolarHBondContact O-N 3.21Å; C246-N248 VanDerWaalsContact O-N 3.09Å; C246-L249 HydrophobicContact CB-CB 3.57Å; C246-L249 HydrophobicContact CB-CD2 4.15Å; C246-L249 VanDerWaalsContact O-CB 3.3Å; C246-L249 WeakPolarHBondContact O-CB 3.05Å; C246-L249 PolarHBondContact O-N 3.24Å
247	P	66.8	Low	55.4	Low	135 Å²	135	49 Å²	49	88%	0.877	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.9	-173	23.8	-32.7	0	0	0	114.2
248	N	68.2	Low	54	Low	38 Å²	38	50.4 Å²	50.4	20%	0.203	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.6	174.5	59.5	-25.2	0	0	0	113.5	F167 S169 V170 C246	F167-N248 PolarHBondContact O-ND2 2.86Å; S169-N248 CarbonylContact C-O 3.56Å; S169-N248 VanDerWaalsContact CA-O 3.31Å; S169-N248 WeakPolarHBondContact CA-O 3.42Å; S169-N248 PolarHBondContact OG-O 3.3Å; V170-N248 PolarHBondContact N-O 2.95Å; C246-N248 PolarHBondContact O-N 3.21Å; C246-N248 VanDerWaalsContact O-N 3.09Å
249	L	63.5	Low	52.7	Low	13 Å²	13	53.8 Å²	53.8	7%	0.068	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.8	-178.3	177.5	63	0	0	0	111.3	L159 V170 L172 C246 V251	L159-L249 HydrophobicContact CD2-CD2 4.06Å; V170-L249 HydrophobicContact CB-CB 4.49Å; V170-L249 HydrophobicContact CB-CD1 3.68Å; V170-L249 HydrophobicContact CG1-CD1 3.57Å; V170-L249 CarbonylContact O-C 3.58Å; V170-L249 WeakPolarHBondContact O-CA 3.44Å; L172-L249 HydrophobicContact CB-CD1 4.23Å; C246-L249 HydrophobicContact CB-CB 3.57Å; C246-L249 HydrophobicContact CB-CD2 4.15Å; C246-L249 VanDerWaalsContact O-CB 3.3Å; C246-L249 WeakPolarHBondContact O-CB 3.05Å; C246-L249 PolarHBondContact O-N 3.24Å; L249-V251 HydrophobicContact CD1-CG2 4.41Å; L249-V251 HydrophobicContact CD2-CG2 4.35Å; L249-V251 HydrophobicContact CG-CG2 4.09Å
250	T	60.2	Low	51	Low	44 Å²	44	57.8 Å²	57.8	27%	0.27	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	165.7	-52.2	0	0	0	0	109	V170 I171 L172 Y252	V170-T250 PolarHBondContact O-N 3.3Å; V170-T250 VanDerWaalsContact O-O 3.13Å; I171-T250 CarbonylContact C-O 3.56Å; I171-T250 VanDerWaalsContact CA-O 3.25Å; I171-T250 WeakPolarHBondContact CA-O 3.22Å; L172-T250 PolarHBondContact N-O 3.35Å; T250-Y252 HydrophobicContact CG2-CD2 4.06Å; T250-Y252 HydrophobicContact CG2-CE2 3.45Å; T250-Y252 VanDerWaalsContact CG2-CE2 3.45Å
251	V	56.1	Low	49.5	Very low	14 Å²	14	64.3 Å²	64.3	9%	0.085	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.7	178.8	178.3	0	0	0	0	108	L172 I239 L249	L172-V251 HydrophobicContact CB-CG1 4.44Å; L172-V251 HydrophobicContact CB-CG2 4.26Å; L172-V251 HydrophobicContact CD2-CG1 4.38Å; L172-V251 HydrophobicContact CD2-CG2 4.46Å; I239-V251 HydrophobicContact CG2-CB 4.04Å; I239-V251 HydrophobicContact CG2-CG1 3.45Å; I239-V251 VanDerWaalsContact CG2-CG1 3.45Å; I239-V251 HydrophobicContact CG2-CG2 3.48Å; I239-V251 VanDerWaalsContact CG2-CG2 3.48Å; L249-V251 HydrophobicContact CD1-CG2 4.41Å; L249-V251 HydrophobicContact CD2-CG2 4.35Å; L249-V251 HydrophobicContact CG-CG2 4.09Å
252	Y	54.5	Low	47.9	Very low	86 Å²	86	64.6 Å²	64.6	34%	0.337	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.2	166.5	-63.1	-97.2	0	0	0	108.5	I171 L172 L173 T174 T250	I171-Y252 HydrophobicContact CG2-CD2 3.7Å; I171-Y252 HydrophobicContact CG2-CE2 3.98Å; L172-Y252 PolarHBondContact O-N 3.03Å; L172-Y252 VanDerWaalsContact O-O 3.13Å; L173-Y252 HydrophobicContact CD2-CD2 4.25Å; L173-Y252 HydrophobicContact CD2-CG 4.34Å; T174-Y252 PolarHBondContact N-O 2.83Å; T250-Y252 HydrophobicContact CG2-CD2 4.06Å; T250-Y252 HydrophobicContact CG2-CE2 3.45Å; T250-Y252 VanDerWaalsContact CG2-CE2 3.45Å
253	L	50.7	Low	46.4	Very low	4 Å²	4	70.2 Å²	70.2	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.7	166.7	177.4	67.7	0	0	0	108.4	T174 Y193 L194 M236 I255	T174-L253 HydrophobicContact CG2-CD1 3.71Å; Y193-L253 WeakPolarHBondContact CA-O 3.43Å; L194-L253 HydrophobicContact CB-CB 4.46Å; L194-L253 HydrophobicContact CD1-CD2 3.95Å; M236-L253 HydrophobicContact CE-CB 4.01Å; M236-L253 HydrophobicContact CE-CD1 4.42Å; M236-L253 HydrophobicContact CE-CD2 3.73Å; M236-L253 HydrophobicContact CE-CG 4.26Å; M236-L253 HydrophobicContact CG-CD2 4.12Å; M236-L253 HydrophobicContact SD-CB 4.31Å; M236-L253 HydrophobicContact SD-CD1 3.61Å; M236-L253 HydrophobicContact SD-CD2 3.64Å; M236-L253 HydrophobicContact SD-CG 4.04Å; L253-I255 HydrophobicContact CD2-CD1 3.8Å; L253-I255 HydrophobicContact CD2-CG1 3.57Å; L253-I255 HydrophobicContact CG-CG1 3.81Å
254	F	45.5	Very low	44.9	Very low	76 Å²	76	73.1 Å²	73.1	33%	0.333	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	101	166	-67.8	-94	0	0	0	107.8	L173 T174 S175 S176 F256	L173-F254 HydrophobicContact CD2-CE2 3.75Å; T174-F254 PolarHBondContact O-N 2.83Å; S175-F254 CarbonylContact C-O 3.58Å; S175-F254 WeakPolarHBondContact CA-O 3.19Å; S176-F254 PolarHBondContact N-O 3.46Å; F254-F256 VanDerWaalsContact C-N 3.26Å; F254-F256 HydrophobicContact CB-CD2 3.71Å; F254-F256 HydrophobicContact CB-CE1 4.44Å; F254-F256 HydrophobicContact CB-CE2 3.27Å; F254-F256 HydrophobicContact CB-CG 4.47Å; F254-F256 HydrophobicContact CB-CZ 3.69Å; F254-F256 HydrophobicContact CD1-CZ 4.16Å; F254-F256 HydrophobicContact CG-CE2 4.05Å; F254-F256 HydrophobicContact CG-CZ 4.06Å; F254-F256 PolarHBondContact O-N 3.42Å
255	I	42.1	Very low	43.7	Very low	11 Å²	11	76.7 Å²	76.7	6%	0.056	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	93.3	166.4	-51.6	-166.3	0	0	0	106.4	A178 F192 L211 L253 F257	A178-I255 HydrophobicContact CB-CG2 3.95Å; F192-I255 HydrophobicContact CB-CB 4.28Å; F192-I255 HydrophobicContact CB-CD1 4Å; F192-I255 HydrophobicContact CB-CG1 4.25Å; F192-I255 PolarHBondContact O-N 3.3Å; L211-I255 HydrophobicContact CD2-CD1 3.97Å; L253-I255 HydrophobicContact CD2-CD1 3.8Å; L253-I255 HydrophobicContact CD2-CG1 3.57Å; L253-I255 HydrophobicContact CG-CG1 3.81Å; I255-F257 HydrophobicContact CG2-CD2 4.13Å; I255-F257 HydrophobicContact CG2-CE2 3.88Å; I255-F257 PolarHBondContact O-N 3.23Å
256	F	34.8	Very low	42.3	Very low	80 Å²	80	72.4 Å²	72.4	35%	0.351	39%	0.394	S	S	.	.			trans	-78	106.3	170.5	-67.1	-78.6	0	0	0	107.6	S176 F254 F258	S176-F256 PolarHBondContact O-N 3.15Å; F254-F256 VanDerWaalsContact C-N 3.26Å; F254-F256 HydrophobicContact CB-CD2 3.71Å; F254-F256 HydrophobicContact CB-CE1 4.44Å; F254-F256 HydrophobicContact CB-CE2 3.27Å; F254-F256 HydrophobicContact CB-CG 4.47Å; F254-F256 HydrophobicContact CB-CZ 3.69Å; F254-F256 HydrophobicContact CD1-CZ 4.16Å; F254-F256 HydrophobicContact CG-CE2 4.05Å; F254-F256 HydrophobicContact CG-CZ 4.06Å; F254-F256 PolarHBondContact O-N 3.42Å; F256-F258 HydrophobicContact CB-CD2 3.25Å; F256-F258 HydrophobicContact CB-CE2 3.64Å; F256-F258 HydrophobicContact CB-CG 4.15Å; F256-F258 AromaticContact CD1-CD2 3.82Å; F256-F258 HydrophobicContact CD1-CD2 3.82Å; F256-F258 AromaticContact CD1-CE2 3.21Å; F256-F258 HydrophobicContact CD1-CE2 3.21Å; F256-F258 AromaticContact CD1-CZ 3.89Å; F256-F258 HydrophobicContact CD1-CZ 3.89Å; F256-F258 HydrophobicContact CD2-CD2 4.44Å; F256-F258 HydrophobicContact CD2-CE2 4.15Å; F256-F258 AromaticContact CE1-CE2 3.82Å; F256-F258 HydrophobicContact CE1-CE2 3.82Å; F256-F258 HydrophobicContact CE1-CZ 4.28Å; F256-F258 AromaticContact CG-CD2 3.61Å; F256-F258 HydrophobicContact CG-CD2 3.61Å; F256-F258 AromaticContact CG-CE2 3.41Å; F256-F258 HydrophobicContact CG-CE2 3.41Å; F256-F258 VanDerWaalsContact CG-CE2 3.41Å; F256-F258 HydrophobicContact CG-CZ 4.48Å; F256-F258 HydrophobicContact CZ-CE2 4.49Å; F256-F258 PolarHBondContact O-N 3.2Å
257	F	33	Very low	41.1	Very low	66 Å²	66	77.3 Å²	77.3	29%	0.289	42%	0.417	S	S	.	.			trans	-68.9	69.6	148.6	-75.3	-91.8	0	0	0	107.4	A178 G190 F192 I255 P259	A178-F257 HydrophobicContact CB-CE1 4.18Å; A178-F257 HydrophobicContact CB-CE2 4.27Å; A178-F257 HydrophobicContact CB-CZ 3.77Å; G190-F257 WeakPolarHBondContact O-CD2 3.27Å; F192-F257 HydrophobicContact CD2-CD2 4.4Å; F192-F257 AromaticContact CD2-CE2 3.67Å; F192-F257 HydrophobicContact CD2-CE2 3.67Å; F192-F257 HydrophobicContact CE2-CD2 4.41Å; F192-F257 AromaticContact CE2-CE2 3.54Å; F192-F257 HydrophobicContact CE2-CE2 3.54Å; F192-F257 HydrophobicContact CE2-CZ 4.16Å; I255-F257 HydrophobicContact CG2-CD2 4.13Å; I255-F257 HydrophobicContact CG2-CE2 3.88Å; I255-F257 PolarHBondContact O-N 3.23Å; F257-P259 WeakPolarHBondContact O-CD 3.22Å
258	F	28	Very low	39.6	Very low	97 Å²	97	72.5 Å²	72.5	43%	0.425	38%	0.384	S	S	.	.			trans	-73.1	118.1	159.4	-87.9	-65.3	0	0	0	105.7	F256 T260 F261	F256-F258 HydrophobicContact CB-CD2 3.25Å; F256-F258 HydrophobicContact CB-CE2 3.64Å; F256-F258 HydrophobicContact CB-CG 4.15Å; F256-F258 AromaticContact CD1-CD2 3.82Å; F256-F258 HydrophobicContact CD1-CD2 3.82Å; F256-F258 AromaticContact CD1-CE2 3.21Å; F256-F258 HydrophobicContact CD1-CE2 3.21Å; F256-F258 AromaticContact CD1-CZ 3.89Å; F256-F258 HydrophobicContact CD1-CZ 3.89Å; F256-F258 HydrophobicContact CD2-CD2 4.44Å; F256-F258 HydrophobicContact CD2-CE2 4.15Å; F256-F258 AromaticContact CE1-CE2 3.82Å; F256-F258 HydrophobicContact CE1-CE2 3.82Å; F256-F258 HydrophobicContact CE1-CZ 4.28Å; F256-F258 AromaticContact CG-CD2 3.61Å; F256-F258 HydrophobicContact CG-CD2 3.61Å; F256-F258 AromaticContact CG-CE2 3.41Å; F256-F258 HydrophobicContact CG-CE2 3.41Å; F256-F258 VanDerWaalsContact CG-CE2 3.41Å; F256-F258 HydrophobicContact CG-CZ 4.48Å; F256-F258 HydrophobicContact CZ-CE2 4.49Å; F256-F258 PolarHBondContact O-N 3.2Å; F258-T260 VanDerWaalsContact C-N 3.26Å; F258-T260 PolarHBondContact O-N 2.81Å; F258-F261 HydrophobicContact CD2-CE2 4.11Å; F258-F261 HydrophobicContact CE2-CE2 4.44Å; F258-F261 HydrophobicContact CG-CE2 4.44Å
259	P	31.3	Very low	38.2	Very low	114 Å²	114	73.5 Å²	73.5	74%	0.74	39%	0.386	S	S	*	.			trans	-50.9	113	143.1	26.1	-29.8	0	0	0	103.6	F257 F261	F257-P259 WeakPolarHBondContact O-CD 3.22Å; P259-F261 PolarHBondContact O-N 2.68Å
260	T	24.7	Very low	36.9	Very low	89 Å²	89	73 Å²	73	55%	0.546	38%	0.384	S	S	.	.			trans	-15.1	120.7	177.1	39	0	0	0	0	113	F258 S262	F258-T260 VanDerWaalsContact C-N 3.26Å; F258-T260 PolarHBondContact O-N 2.81Å; T260-S262 PolarHBondContact O-N 3.11Å
261	F	22.9	Very low	36	Very low	156 Å²	156	72 Å²	72	68%	0.684	38%	0.377	S	S	*	.			trans	-32.3	135.6	160.3	-80.2	-92.5	0	0	0	109.3	F258 P259	F258-F261 HydrophobicContact CD2-CE2 4.11Å; F258-F261 HydrophobicContact CE2-CE2 4.44Å; F258-F261 HydrophobicContact CG-CE2 4.44Å; P259-F261 PolarHBondContact O-N 2.68Å
262	S	25.3	Very low	35.5	Very low	88 Å²	88	72.6 Å²	72.6	62%	0.615	38%	0.384	S	S	*	.				-178.2	142.5	64.1	41.1	0	0	0	0	110.9	T260 L264	T260-S262 PolarHBondContact O-N 3.11Å; S262-L264 VanDerWaalsContact C-N 3.3Å; S262-L264 PolarHBondContact O-N 3.01Å
263	S	25.2	Very low	35.1	Very low	121 Å²	121	68.6 Å²	68.6	85%	0.846	37%	0.368	S	S	*	.	S	Bend	trans	50.4	23.1	148.3	55.5	0	0	0	0	120.9
264	L	26.2	Very low	35	Very low	79 Å²	79	68.5 Å²	68.5	41%	0.414	37%	0.368	S	S	.	.			trans	-149.3	125.2	166.4	-108	146.6	0	0	0	110.6	S262 I266 R338	S262-L264 VanDerWaalsContact C-N 3.3Å; S262-L264 PolarHBondContact O-N 3.01Å; L264-I266 HydrophobicContact CB-CB 4.17Å; L264-I266 HydrophobicContact CB-CD1 3.52Å; L264-I266 HydrophobicContact CB-CG1 3.69Å; L264-I266 HydrophobicContact CD1-CD1 3.83Å; L264-I266 HydrophobicContact CD2-CD1 4.13Å; L264-I266 HydrophobicContact CD2-CG1 3.89Å; L264-I266 HydrophobicContact CG-CD1 3.98Å; L264-I266 HydrophobicContact CG-CG1 4.21Å; L264-I266 PolarHBondContact O-N 2.76Å; L264-R338 VanDerWaalsContact CD1-NH2 3.32Å
265	D	31.8	Very low	35.5	Very low	164 Å²	164	66.4 Å²	66.4	88%	0.877	36%	0.363	S	S	*	.			trans	-53.8	64.3	148.3	-69.8	-53.5	0	0	0	110	E267	D265-E267 VanDerWaalsContact C-N 3.25Å; D265-E267 PolarHBondContact O-N 3.02Å
266	I	33.3	Very low	36.6	Very low	44 Å²	44	69 Å²	69	23%	0.226	38%	0.375	C	S	.	.			trans	-92.1	77.3	168.4	-87.5	165.7	0	0	0	104.5	L264 L268 E367	L264-I266 HydrophobicContact CB-CB 4.17Å; L264-I266 HydrophobicContact CB-CD1 3.52Å; L264-I266 HydrophobicContact CB-CG1 3.69Å; L264-I266 HydrophobicContact CD1-CD1 3.83Å; L264-I266 HydrophobicContact CD2-CD1 4.13Å; L264-I266 HydrophobicContact CD2-CG1 3.89Å; L264-I266 HydrophobicContact CG-CD1 3.98Å; L264-I266 HydrophobicContact CG-CG1 4.21Å; L264-I266 PolarHBondContact O-N 2.76Å; I266-L268 HydrophobicContact CG2-CB 3.36Å; I266-L268 HydrophobicContact CG2-CD1 3.31Å; I266-L268 HydrophobicContact CG2-CD2 4.22Å; I266-L268 HydrophobicContact CG2-CG 3.74Å; I266-L268 PolarHBondContact O-N 3.47Å; I266-E367 VanDerWaalsContact CD1-CD 3.49Å; I266-E367 WeakPolarHBondContact CD1-OE1 3.3Å; I266-E367 WeakPolarHBondContact CD1-OE2 3.2Å
267	E	38.1	Very low	38.1	Very low	104 Å²	104	70.8 Å²	70.8	49%	0.486	39%	0.387	S	S	.	.			trans	-59.7	71	147.3	-67.8	-167.7	142.9	0	0	108.1	D265 F269 R289 R343	D265-E267 VanDerWaalsContact C-N 3.25Å; D265-E267 PolarHBondContact O-N 3.02Å; E267-F269 PolarHBondContact O-N 2.93Å; E267-R289 IonicContact OE1-NH1 3.66Å; E267-R343 IonicContact OE1-CZ 3.77Å; E267-R343 IonicContact OE1-NH2 2.76Å; E267-R343 PolarHBondContact OE1-NH2 2.89Å; E267-R343 IonicContact OE2-CZ 3.69Å; E267-R343 VanDerWaalsContact OE2-CZ 3.29Å; E267-R343 IonicContact OE2-NE 3.66Å; E267-R343 PolarHBondContact OE2-NE 3.45Å; E267-R343 IonicContact OE2-NH2 3.81Å; E267-R343 PolarHBondContact OE2-NH2 3.22Å
268	L	36.9	Very low	39.6	Very low	35 Å²	35	69.5 Å²	69.5	18%	0.183	39%	0.386	C	S	.	.			trans	-70.8	58.6	-174.2	-151.4	71	0	0	0	112.6	I266 A270 I271 L363 Y377	I266-L268 HydrophobicContact CG2-CB 3.36Å; I266-L268 HydrophobicContact CG2-CD1 3.31Å; I266-L268 HydrophobicContact CG2-CD2 4.22Å; I266-L268 HydrophobicContact CG2-CG 3.74Å; I266-L268 PolarHBondContact O-N 3.47Å; L268-A270 HydrophobicContact CD1-CB 3.98Å; L268-A270 HydrophobicContact CG-CB 4.2Å; L268-A270 PolarHBondContact O-N 2.69Å; L268-I271 HydrophobicContact CD2-CD1 3.37Å; L268-I271 HydrophobicContact CD2-CG1 3.94Å; L268-I271 HydrophobicContact CG-CD1 4.14Å; L268-I271 HydrophobicContact CG-CG1 4.16Å; L268-I271 PolarHBondContact O-N 3.1Å; L268-L363 HydrophobicContact CD2-CD2 4.22Å; L268-Y377 HydrophobicContact CD2-CE1 3.71Å
269	F	38.1	Very low	41.5	Very low	58 Å²	58	64.9 Å²	64.9	25%	0.254	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	67.8	139.6	-81.9	-104.4	0	0	0	107.4	E267 N288 V290 R343 C344	E267-F269 PolarHBondContact O-N 2.93Å; F269-N288 HydrophobicContact CD1-CB 4.19Å; F269-N288 HydrophobicContact CE1-CB 3.43Å; F269-N288 VanDerWaalsContact CE1-CB 3.43Å; F269-N288 HydrophobicContact CE2-CB 4Å; F269-N288 HydrophobicContact CZ-CB 3.36Å; F269-N288 WeakPolarHBondContact CZ-OD1 3.1Å; F269-V290 HydrophobicContact CD1-CG2 3.95Å; F269-V290 HydrophobicContact CE1-CG2 4.39Å; F269-R343 HydrophobicContact CB-CB 3.43Å; F269-R343 VanDerWaalsContact CB-CB 3.43Å; F269-R343 HydrophobicContact CB-CG 3.8Å; F269-R343 HydrophobicContact CG-CB 4.17Å; F269-R343 HydrophobicContact CG-CG 4.41Å; F269-R343 CarbonylContact O-C 3.58Å; F269-C344 CarbonylContact C-O 3.4Å; F269-C344 CarbonylContact O-C 3.55Å; F269-C344 WeakPolarHBondContact O-CA 3.24Å; F269-C344 PolarHBondContact O-N 3.02Å
270	A	35.9	Very low	43.8	Very low	4 Å²	4	62.5 Å²	62.5	3%	0.033	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.2	139.1	0	0	0	0	0	109.5	L268 I334 C344 V346 V359	L268-A270 HydrophobicContact CD1-CB 3.98Å; L268-A270 HydrophobicContact CG-CB 4.2Å; L268-A270 PolarHBondContact O-N 2.69Å; A270-I334 HydrophobicContact CB-CG2 3.8Å; A270-C344 CarbonylContact C-O 3.56Å; A270-C344 WeakPolarHBondContact CA-O 3.33Å; A270-V346 WeakPolarHBondContact O-CG2 3.33Å; A270-V359 WeakPolarHBondContact O-CG2 3.38Å
271	I	41.9	Very low	46.4	Very low	21 Å²	21	61.8 Å²	61.8	11%	0.108	34%	0.342	C	S	.	.			trans	-139	76.1	-167	-39.9	178.6	0	0	0	111	L268 A273 V359 L363 Y377 V378	L268-I271 HydrophobicContact CD2-CD1 3.37Å; L268-I271 HydrophobicContact CD2-CG1 3.94Å; L268-I271 HydrophobicContact CG-CD1 4.14Å; L268-I271 HydrophobicContact CG-CG1 4.16Å; L268-I271 PolarHBondContact O-N 3.1Å; I271-A273 HydrophobicContact CG2-CB 4.24Å; I271-V359 HydrophobicContact CB-CG1 4.2Å; I271-V359 HydrophobicContact CB-CG2 4.35Å; I271-V359 HydrophobicContact CD1-CG1 3.2Å; I271-V359 HydrophobicContact CG1-CB 4.26Å; I271-V359 HydrophobicContact CG1-CG1 3.34Å; I271-V359 HydrophobicContact CG1-CG2 3.91Å; I271-V359 HydrophobicContact CG2-CG1 3.89Å; I271-V359 HydrophobicContact CG2-CG2 4.18Å; I271-L363 HydrophobicContact CD1-CD1 4.28Å; I271-Y377 HydrophobicContact CD1-CE1 4.17Å; I271-V378 HydrophobicContact CD1-CG2 4.38Å; I271-V378 HydrophobicContact CG2-CG1 4.47Å
272	A	44.4	Very low	49.5	Very low	28 Å²	28	57.6 Å²	57.6	23%	0.231	33%	0.326	C	S	.	.			trans	-103.8	78.9	130.5	0	0	0	0	0	106.1	G274 L345 V346	A272-G274 PolarHBondContact O-N 3.41Å; A272-L345 HydrophobicContact CB-CD1 3.47Å; A272-L345 VanDerWaalsContact CB-CD1 3.47Å; A272-L345 VanDerWaalsContact O-CD1 3.23Å; A272-L345 WeakPolarHBondContact O-CD1 3.23Å; A272-V346 CarbonylContact C-O 3.51Å
273	A	47.5	Very low	52.1	Low	2 Å²	2	59.7 Å²	59.7	2%	0.017	33%	0.326	C	S	.	.			trans	-51.8	102.7	147.9	0	0	0	0	0	104.8	I271 V346 V356 R382	I271-A273 HydrophobicContact CG2-CB 4.24Å; A273-V346 WeakPolarHBondContact CA-O 3.41Å; A273-V346 PolarHBondContact N-O 3.09Å; A273-V356 HydrophobicContact CB-CG2 3.64Å; A273-R382 WeakPolarHBondContact O-CD 3.28Å; A273-R382 PolarHBondContact O-NE 3.27Å; A273-R382 PolarHBondContact O-NH1 2.85Å; A273-R382 VanDerWaalsContact O-NH1 3.15Å
274	G	47.5	Very low	54.6	Low	2 Å²	2	57 Å²	57	2%	0.021	30%	0.302	C	S	.	.			trans	-132.3	156.2	-170	0	0	0	0	0	108.1	A272 C348 G351	A272-G274 PolarHBondContact O-N 3.41Å; G274-C348 PolarHBondContact O-N 3.01Å; G274-G351 WeakPolarHBondContact O-CA 3.23Å; G274-G351 PolarHBondContact O-N 3.32Å; G274-G351 VanDerWaalsContact O-N 3.09Å
275	S	56	Low	57.2	Low	31 Å²	31	53.5 Å²	53.5	22%	0.217	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-58.6	171.3	155.6	54.3	0	0	0	0	108.9	L277 P278 C348 N349	S275-L277 PolarHBondContact O-N 3.12Å; S275-P278 WeakPolarHBondContact O-CD 3.41Å; S275-C348 CarbonylContact C-O 3.58Å; S275-N349 WeakPolarHBondContact CA-O 3.3Å; S275-N349 VanDerWaalsContact CB-O 3.24Å; S275-N349 WeakPolarHBondContact CB-O 3.48Å
276	E	64.9	Low	59.7	Low	66 Å²	66	49.9 Å²	49.9	31%	0.308	27%	0.268	S	S	.	.	S	Bend	trans	-60.5	-15.1	175.3	64.4	-162	-175	0	0	114	A279 T280 V300 C348 N349	E276-A279 WeakPolarHBondContact O-CB 3.47Å; E276-A279 PolarHBondContact O-N 3.38Å; E276-A279 VanDerWaalsContact O-N 3.08Å; E276-T280 PolarHBondContact O-N 3.2Å; E276-V300 HydrophobicContact CB-CG1 3.99Å; E276-V300 WeakPolarHBondContact OE2-CG2 3.24Å; E276-C348 PolarHBondContact N-O 2.9Å; E276-N349 PolarHBondContact N-O 3.25Å
277	L	68.1	Low	61.9	Low	117 Å²	117	54 Å²	54	61%	0.613	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-51	-173.9	-62.4	173.9	0	0	0	114.1	S275 A279 T280	S275-L277 PolarHBondContact O-N 3.12Å; L277-A279 PolarHBondContact O-N 3.06Å; L277-T280 PolarHBondContact O-N 3.23Å; L277-T280 VanDerWaalsContact O-N 3.1Å; L277-T280 PolarHBondContact O-OG1 3.42Å
278	P	63.1	Low	63.5	Low	39 Å²	39	51.1 Å²	51.1	25%	0.253	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.6	-28	177.7	-22.3	37.3	0	0	0	113	S275 T280 N281 L284	S275-P278 WeakPolarHBondContact O-CD 3.41Å; P278-T280 PolarHBondContact O-N 3.22Å; P278-N281 PolarHBondContact O-N 2.88Å; P278-L284 HydrophobicContact CB-CD2 4.13Å
279	A	69.5	Low	65.8	Low	1 Å²	1	56.9 Å²	56.9	1%	0.008	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.4	177.8	0	0	0	0	0	113	E276 L277 Y303 F304 L345	E276-A279 WeakPolarHBondContact O-CB 3.47Å; E276-A279 PolarHBondContact O-N 3.38Å; E276-A279 VanDerWaalsContact O-N 3.08Å; L277-A279 PolarHBondContact O-N 3.06Å; A279-Y303 HydrophobicContact CB-CD2 4.49Å; A279-F304 WeakPolarHBondContact O-CE2 3.37Å; A279-L345 HydrophobicContact CB-CD2 4.02Å
280	T	79	Confident	67.9	Low	63 Å²	63	54.5 Å²	54.5	39%	0.387	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-89.8	-5.9	174.8	66.3	0	0	0	0	113.8	E276 L277 P278 Y303 F304	E276-T280 PolarHBondContact O-N 3.2Å; L277-T280 PolarHBondContact O-N 3.23Å; L277-T280 VanDerWaalsContact O-N 3.1Å; L277-T280 PolarHBondContact O-OG1 3.42Å; P278-T280 PolarHBondContact O-N 3.22Å; T280-Y303 HydrophobicContact CG2-CD1 4.19Å; T280-Y303 HydrophobicContact CG2-CD2 3.68Å; T280-Y303 HydrophobicContact CG2-CE1 3.89Å; T280-Y303 HydrophobicContact CG2-CE2 3.34Å; T280-Y303 HydrophobicContact CG2-CG 4.09Å; T280-Y303 VanDerWaalsContact CG2-CZ 3.45Å; T280-F304 WeakPolarHBondContact O-CZ 3.44Å
281	N	79.4	Confident	70.5	Confident	74 Å²	74	56.8 Å²	56.8	40%	0.396	30%	0.297	S	S	.	.			trans	-106.7	91.1	-175.1	-172.1	-27.5	0	0	0	111.5	P278 Q283 L284 L285	P278-N281 PolarHBondContact O-N 2.88Å; N281-Q283 VanDerWaalsContact C-N 3.29Å; N281-Q283 PolarHBondContact O-N 2.79Å; N281-Q283 PolarHBondContact OD1-N 2.79Å; N281-L284 HydrophobicContact CB-CB 3.95Å; N281-L284 PolarHBondContact O-N 3.24Å; N281-L284 PolarHBondContact OD1-N 3.02Å; N281-L285 WeakPolarHBondContact O-CG 3.35Å; N281-L285 PolarHBondContact O-N 3.4Å; N281-L285 VanDerWaalsContact O-N 3.08Å
282	L	86.7	Confident	73	Confident	68 Å²	68	56.8 Å²	56.8	36%	0.356	30%	0.296	S	S	.	.	H	α-helix	trans	-53.6	-43.3	-179.6	-179.1	58.7	0	0	0	113	L284 L285 V286 F304 T307 F308	L282-L284 PolarHBondContact O-N 3.16Å; L282-L285 PolarHBondContact O-N 3.34Å; L282-V286 HydrophobicContact CD1-CG2 4.08Å; L282-V286 HydrophobicContact CG-CG2 4.47Å; L282-V286 WeakPolarHBondContact O-CG2 3.14Å; L282-V286 PolarHBondContact O-N 3.24Å; L282-F304 HydrophobicContact CB-CD1 4.29Å; L282-F304 HydrophobicContact CB-CD2 4.39Å; L282-F304 HydrophobicContact CB-CE1 3.83Å; L282-F304 HydrophobicContact CB-CE2 3.94Å; L282-F304 HydrophobicContact CB-CZ 3.64Å; L282-F304 HydrophobicContact CD1-CB 4.49Å; L282-F304 HydrophobicContact CD1-CD1 4.24Å; L282-F304 HydrophobicContact CD1-CD2 4.28Å; L282-F304 HydrophobicContact CD1-CG 4.07Å; L282-F304 HydrophobicContact CD2-CD1 4.38Å; L282-F304 HydrophobicContact CD2-CE1 4.38Å; L282-T307 HydrophobicContact CD1-CG2 4.09Å; L282-F308 HydrophobicContact CD1-CE2 3.72Å; L282-F308 HydrophobicContact CD1-CZ 3.74Å
283	Q	80.9	Confident	75.2	Confident	132 Å²	132	55.4 Å²	55.4	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-65.1	-43.5	-176.9	-171.3	173.7	12.2	0	0	111.4	N281 L285 V286 Q287	N281-Q283 VanDerWaalsContact C-N 3.29Å; N281-Q283 PolarHBondContact O-N 2.79Å; N281-Q283 PolarHBondContact OD1-N 2.79Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.33Å; Q283-V286 PolarHBondContact O-N 2.75Å; Q283-Q287 HydrophobicContact CG-CG 4.45Å; Q283-Q287 WeakPolarHBondContact O-CB 3.41Å; Q283-Q287 VanDerWaalsContact O-CG 3.24Å; Q283-Q287 WeakPolarHBondContact O-CG 3.18Å; Q283-Q287 PolarHBondContact O-N 3.47Å
284	L	77.4	Confident	77.5	Confident	65 Å²	65	55.3 Å²	55.3	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175.6	-177.1	69	0	0	0	111.3	P278 N281 L282 N288	P278-L284 HydrophobicContact CB-CD2 4.13Å; N281-L284 HydrophobicContact CB-CB 3.95Å; N281-L284 PolarHBondContact O-N 3.24Å; N281-L284 PolarHBondContact OD1-N 3.02Å; L282-L284 PolarHBondContact O-N 3.16Å; L284-N288 WeakPolarHBondContact CD1-ND2 3.43Å; L284-N288 WeakPolarHBondContact O-CB 3.27Å; L284-N288 PolarHBondContact O-N 2.87Å; L284-N288 VanDerWaalsContact O-N 3.11Å; L284-N288 PolarHBondContact O-ND2 2.8Å
285	L	81.2	Confident	79.6	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-46.1	179	-65.3	170.8	0	0	0	111.6	N281 L282 Q283 N288 R289 V290 I293 F304 F308 L345	N281-L285 WeakPolarHBondContact O-CG 3.35Å; N281-L285 PolarHBondContact O-N 3.4Å; N281-L285 VanDerWaalsContact O-N 3.08Å; L282-L285 PolarHBondContact O-N 3.34Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.33Å; L285-N288 CarbonylContact O-C 3.51Å; L285-N288 PolarHBondContact O-N 2.84Å; L285-R289 PolarHBondContact O-N 3.49Å; L285-V290 HydrophobicContact CB-CB 4.24Å; L285-V290 HydrophobicContact CD2-CB 4.28Å; L285-V290 HydrophobicContact CD2-CG1 4.27Å; L285-V290 HydrophobicContact CD2-CG2 4.07Å; L285-V290 WeakPolarHBondContact O-CB 3.44Å; L285-V290 PolarHBondContact O-N 3.47Å; L285-I293 HydrophobicContact CD1-CD1 4.1Å; L285-I293 HydrophobicContact CD2-CD1 4.49Å; L285-F304 HydrophobicContact CD1-CD2 3.94Å; L285-F304 HydrophobicContact CD1-CE2 4.11Å; L285-F308 HydrophobicContact CB-CE1 4.11Å; L285-F308 HydrophobicContact CB-CE2 4.05Å; L285-F308 HydrophobicContact CB-CZ 3.45Å; L285-F308 VanDerWaalsContact CB-CZ 3.45Å; L285-F308 HydrophobicContact CD1-CD2 4.28Å; L285-F308 HydrophobicContact CD1-CE2 3.52Å; L285-F308 HydrophobicContact CD1-CZ 3.87Å; L285-F308 HydrophobicContact CG-CE2 4.42Å; L285-F308 HydrophobicContact CG-CZ 4.29Å; L285-L345 HydrophobicContact CD2-CD2 3.68Å
286	V	84	Confident	81.4	Confident	88 Å²	88	53.8 Å²	53.8	53%	0.533	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-46.1	178.7	172.2	0	0	0	0	111.5	L282 Q283 N288 R289 F308	L282-V286 HydrophobicContact CD1-CG2 4.08Å; L282-V286 HydrophobicContact CG-CG2 4.47Å; L282-V286 WeakPolarHBondContact O-CG2 3.14Å; L282-V286 PolarHBondContact O-N 3.24Å; Q283-V286 PolarHBondContact O-N 2.75Å; V286-N288 PolarHBondContact O-N 3.06Å; V286-R289 PolarHBondContact O-N 3.12Å; V286-F308 HydrophobicContact CG2-CZ 4.32Å
287	Q	78.6	Confident	82.5	Confident	130 Å²	130	50.8 Å²	50.8	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-32.9	177.1	-77.9	174.4	-17.6	0	0	112.1	Q283 R289	Q283-Q287 HydrophobicContact CG-CG 4.45Å; Q283-Q287 WeakPolarHBondContact O-CB 3.41Å; Q283-Q287 VanDerWaalsContact O-CG 3.24Å; Q283-Q287 WeakPolarHBondContact O-CG 3.18Å; Q283-Q287 PolarHBondContact O-N 3.47Å; Q287-R289 VanDerWaalsContact C-N 3.33Å
288	N	73.4	Confident	83.5	Confident	43 Å²	43	47.8 Å²	47.8	23%	0.23	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	10.7	178.4	-74.3	-70.9	0	0	0	114.4	F269 L284 L285 V286 V290 R343	F269-N288 HydrophobicContact CD1-CB 4.19Å; F269-N288 HydrophobicContact CE1-CB 3.43Å; F269-N288 VanDerWaalsContact CE1-CB 3.43Å; F269-N288 HydrophobicContact CE2-CB 4Å; F269-N288 HydrophobicContact CZ-CB 3.36Å; F269-N288 WeakPolarHBondContact CZ-OD1 3.1Å; L284-N288 WeakPolarHBondContact CD1-ND2 3.43Å; L284-N288 WeakPolarHBondContact O-CB 3.27Å; L284-N288 PolarHBondContact O-N 2.87Å; L284-N288 VanDerWaalsContact O-N 3.11Å; L284-N288 PolarHBondContact O-ND2 2.8Å; L285-N288 CarbonylContact O-C 3.51Å; L285-N288 PolarHBondContact O-N 2.84Å; V286-N288 PolarHBondContact O-N 3.06Å; N288-V290 HydrophobicContact CB-CG2 4.37Å; N288-V290 PolarHBondContact O-N 2.87Å; N288-R343 WeakPolarHBondContact O-CD 2.79Å; N288-R343 PolarHBondContact O-NH1 3.29Å; N288-R343 VanDerWaalsContact O-NH1 3.15Å
289	R	83.7	Confident	84.7	Confident	156 Å²	156	55.7 Å²	55.7	59%	0.589	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	28.8	178	-54.9	-180	179.7	168.5	-1	114	E267 L285 V286 Q287 T291 R343	E267-R289 IonicContact OE1-NH1 3.66Å; L285-R289 PolarHBondContact O-N 3.49Å; V286-R289 PolarHBondContact O-N 3.12Å; Q287-R289 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 3.29Å; R289-R343 WeakPolarHBondContact O-CB 3.48Å; R289-R343 PolarHBondContact O-N 2.81Å
290	V	83.6	Confident	85.5	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.4	174.2	178.9	0	0	0	0	108.8	F269 L285 N288 H292 I293 F308 L345	F269-V290 HydrophobicContact CD1-CG2 3.95Å; F269-V290 HydrophobicContact CE1-CG2 4.39Å; L285-V290 HydrophobicContact CB-CB 4.24Å; L285-V290 HydrophobicContact CD2-CB 4.28Å; L285-V290 HydrophobicContact CD2-CG1 4.27Å; L285-V290 HydrophobicContact CD2-CG2 4.07Å; L285-V290 WeakPolarHBondContact O-CB 3.44Å; L285-V290 PolarHBondContact O-N 3.47Å; N288-V290 HydrophobicContact CB-CG2 4.37Å; N288-V290 PolarHBondContact O-N 2.87Å; V290-H292 WeakPolarHBondContact CG1-O 3.41Å; V290-I293 HydrophobicContact CG1-CD1 4.23Å; V290-I293 HydrophobicContact CG1-CG1 3.85Å; V290-F308 HydrophobicContact CB-CE1 4.39Å; V290-F308 HydrophobicContact CG1-CD1 4.32Å; V290-F308 HydrophobicContact CG1-CE1 4.48Å; V290-F308 WeakPolarHBondContact O-CD1 3.27Å; V290-F308 WeakPolarHBondContact O-CE1 3.33Å; V290-L345 HydrophobicContact CG1-CB 4.05Å
291	T	90.5	Very high	86.1	Confident	51 Å²	51	60 Å²	60	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-28.6	178.3	56.2	0	0	0	0	111.6	R289 V309 R343	R289-T291 PolarHBondContact O-N 3.29Å; T291-V309 PolarHBondContact O-N 3.08Å; T291-R343 PolarHBondContact N-O 3.18Å; T291-R343 PolarHBondContact OG1-N 2.76Å; T291-R343 PolarHBondContact OG1-O 2.92Å
292	H	92.8	Very high	86.8	Confident	21 Å²	21	59 Å²	59	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.2	-177.6	-68.7	69.6	0	0	0	110.2	V290 V309 F333 A337 R343 C344 L345	V290-H292 WeakPolarHBondContact CG1-O 3.41Å; H292-V309 CarbonylContact C-O 3.58Å; H292-V309 VanDerWaalsContact CA-O 3.26Å; H292-V309 WeakPolarHBondContact CA-O 3.37Å; H292-F333 HydrophobicContact CB-CD1 4.47Å; H292-F333 HydrophobicContact CB-CE1 3.69Å; H292-F333 HydrophobicContact CB-CZ 3.96Å; H292-F333 AromaticContact CD2-CE2 3.88Å; H292-F333 AromaticContact CD2-CZ 3.64Å; H292-A337 HydrophobicContact CB-CB 3.73Å; H292-A337 WeakPolarHBondContact ND1-CB 3.31Å; H292-R343 PolarHBondContact N-O 3.33Å; H292-R343 VanDerWaalsContact N-O 3.11Å; H292-C344 HydrophobicContact CB-CB 4.21Å; H292-C344 CarbonylContact O-C 3.45Å; H292-C344 VanDerWaalsContact O-CA 3.24Å; H292-C344 WeakPolarHBondContact O-CA 3Å; H292-L345 PolarHBondContact O-N 3.46Å
293	I	92.3	Very high	87	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	117.6	-179.9	-54.7	-174.9	0	0	0	110.6	L285 V290 F308 V309 Y310 K311 L345	L285-I293 HydrophobicContact CD1-CD1 4.1Å; L285-I293 HydrophobicContact CD2-CD1 4.49Å; V290-I293 HydrophobicContact CG1-CD1 4.23Å; V290-I293 HydrophobicContact CG1-CG1 3.85Å; I293-F308 HydrophobicContact CD1-CB 3.89Å; I293-F308 HydrophobicContact CD1-CD2 3.58Å; I293-F308 HydrophobicContact CD1-CE2 4.27Å; I293-F308 HydrophobicContact CD1-CG 3.73Å; I293-F308 HydrophobicContact CG1-CB 4Å; I293-F308 HydrophobicContact CG1-CG 4.23Å; I293-V309 PolarHBondContact N-O 3.13Å; I293-Y310 HydrophobicContact CB-CD1 3.7Å; I293-Y310 HydrophobicContact CB-CE1 3.61Å; I293-Y310 HydrophobicContact CB-CG 4.36Å; I293-Y310 HydrophobicContact CD1-CE1 3.92Å; I293-Y310 HydrophobicContact CD1-CE2 4.42Å; I293-Y310 HydrophobicContact CG1-CE1 4.26Å; I293-Y310 HydrophobicContact CG2-CD1 3.88Å; I293-Y310 HydrophobicContact CG2-CE1 3.59Å; I293-Y310 CarbonylContact O-C 3.31Å; I293-Y310 VanDerWaalsContact O-CA 3.32Å; I293-Y310 WeakPolarHBondContact O-CA 3.42Å; I293-K311 PolarHBondContact O-N 3.5Å; I293-L345 CarbonylContact C-O 3.56Å; I293-L345 WeakPolarHBondContact CA-O 3.34Å; I293-L345 HydrophobicContact CD1-CD2 4.4Å; I293-L345 HydrophobicContact CG1-CB 4.12Å; I293-L345 HydrophobicContact CG2-CB 4.24Å; I293-L345 HydrophobicContact CG2-CD2 4.15Å; I293-L345 HydrophobicContact CG2-CG 4.3Å
294	I	94.2	Very high	87.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.3	165.3	-58.3	-175.9	0	0	0	108.8	K311 I313 C330 F333 I334 L345 V346 H347 I358	I294-K311 CarbonylContact C-O 3.55Å; I294-K311 WeakPolarHBondContact CA-O 3.26Å; I294-K311 HydrophobicContact CG1-CB 4.21Å; I294-I313 HydrophobicContact CG2-CD1 3.34Å; I294-I313 HydrophobicContact CG2-CG1 3.76Å; I294-C330 HydrophobicContact CD1-CB 3.83Å; I294-F333 HydrophobicContact CD1-CB 4.47Å; I294-F333 HydrophobicContact CD1-CD1 3.86Å; I294-F333 HydrophobicContact CG1-CD1 3.42Å; I294-F333 VanDerWaalsContact CG1-CD1 3.42Å; I294-F333 HydrophobicContact CG1-CE1 3.78Å; I294-F333 HydrophobicContact CG1-CG 4.43Å; I294-I334 HydrophobicContact CD1-CD1 4.22Å; I294-I334 HydrophobicContact CD1-CG1 3.9Å; I294-L345 PolarHBondContact N-O 3.03Å; I294-V346 HydrophobicContact CB-CB 4.36Å; I294-V346 HydrophobicContact CB-CG1 4.1Å; I294-V346 HydrophobicContact CB-CG2 4.1Å; I294-V346 HydrophobicContact CD1-CG2 4.02Å; I294-V346 HydrophobicContact CG1-CG2 4.27Å; I294-V346 HydrophobicContact CG2-CG1 4.16Å; I294-H347 PolarHBondContact O-CD2 3.07Å; I294-H347 PolarHBondContact O-N 3.16Å; I294-I358 HydrophobicContact CD1-CG2 4.41Å
295	N	93.2	Very high	88.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	104.1	179.4	-173.6	-11.2	0	0	0	110.6	G297 E301 N302 K311 R312 I313 H347	N295-G297 PolarHBondContact OD1-N 3.16Å; N295-E301 PolarHBondContact ND2-O 2.7Å; N295-N302 PolarHBondContact ND2-OD1 3.25Å; N295-K311 PolarHBondContact N-O 2.98Å; N295-R312 PolarHBondContact ND2-NH1 2.68Å; N295-R312 VanDerWaalsContact O-CD 3.23Å; N295-R312 WeakPolarHBondContact O-CD 3.43Å; N295-R312 PolarHBondContact OD1-NH1 2.92Å; N295-I313 WeakPolarHBondContact O-CG1 3.35Å; N295-I313 PolarHBondContact O-N 2.99Å; N295-H347 WeakPolarHBondContact CB-NE2 3.43Å; N295-H347 VanDerWaalsContact CG-NE2 3.3Å; N295-H347 PolarHBondContact OD1-CE1 2.9Å
296	A	92.9	Very high	89.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.			trans	-102.6	19.6	175.6	0	0	0	0	0	113.1	I313 H347 C348 R354 I358	A296-I313 HydrophobicContact CB-CD1 3.77Å; A296-I313 HydrophobicContact CB-CG1 3.9Å; A296-H347 WeakPolarHBondContact CB-O 3.49Å; A296-H347 PolarHBondContact N-O 2.94Å; A296-C348 HydrophobicContact CB-CB 4.15Å; A296-R354 HydrophobicContact CB-CB 4.26Å; A296-R354 PolarHBondContact O-NH1 2.65Å; A296-R354 VanDerWaalsContact O-NH1 3.16Å; A296-I358 HydrophobicContact CB-CD1 4Å
297	G	87.8	Confident	89.6	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.031	31%	0.311	C	S	.	.			trans	-79.8	136.5	-179.9	0	0	0	0	0	112.9	N295 R312	N295-G297 PolarHBondContact OD1-N 3.16Å; G297-R312 PolarHBondContact O-NH1 2.91Å; G297-R312 PolarHBondContact O-NH2 3.42Å; G297-R312 VanDerWaalsContact O-NH2 3.13Å
298	T	88.8	Confident	90.3	Very high	55 Å²	55	58.8 Å²	58.8	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	127.7	170	-49.9	0	0	0	0	108.7	V300 I315 N349 R354	T298-V300 PolarHBondContact O-N 3.38Å; T298-I315 PolarHBondContact OG1-O 3.08Å; T298-N349 PolarHBondContact N-OD1 3.31Å; T298-N349 PolarHBondContact O-ND2 3.31Å; T298-R354 PolarHBondContact OG1-NH1 3.05Å
299	K	88.1	Confident	91.4	Very high	205 Å²	205	60.4 Å²	60.4	89%	0.891	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	25.2	-176.6	-59.1	176.6	-178.9	-178.1	0	114.7
300	V	86.4	Confident	92	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	28%	0.275	C	S	.	.			trans	-102.6	128.2	174.8	-172.6	0	0	0	0	108.8	E276 T298 Y303 R312 N349	E276-V300 HydrophobicContact CB-CG1 3.99Å; E276-V300 WeakPolarHBondContact OE2-CG2 3.24Å; T298-V300 PolarHBondContact O-N 3.38Å; V300-Y303 HydrophobicContact CG1-CE2 3.97Å; V300-R312 PolarHBondContact O-NH1 3.02Å; V300-R312 PolarHBondContact O-NH2 3.15Å; V300-N349 VanDerWaalsContact CG2-ND2 3.26Å; V300-N349 WeakPolarHBondContact CG2-ND2 3.15Å
301	E	91.2	Very high	92.6	Very high	151 Å²	151	57.1 Å²	57.1	71%	0.706	28%	0.284	S	S	*	.			trans	-82	168.6	177.3	-64.7	-173.7	169.1	0	0	112	N295	N295-E301 PolarHBondContact ND2-O 2.7Å
302	N	94.7	Very high	92.9	Very high	53 Å²	53	59.1 Å²	59.1	28%	0.283	29%	0.286	S	S	.	.			trans	-87.4	111.5	167	-67.7	-15.8	0	0	0	107.3	N295 P305 Y310	N295-N302 PolarHBondContact ND2-OD1 3.25Å; N302-P305 WeakPolarHBondContact O-CD 3.37Å; N302-Y310 HydrophobicContact CB-CD1 3.72Å; N302-Y310 HydrophobicContact CB-CD2 4.25Å; N302-Y310 HydrophobicContact CB-CE1 3.67Å; N302-Y310 HydrophobicContact CB-CE2 4.23Å; N302-Y310 HydrophobicContact CB-CG 4Å; N302-Y310 WeakPolarHBondContact ND2-CB 3.22Å; N302-Y310 VanDerWaalsContact OD1-CD1 3.26Å; N302-Y310 WeakPolarHBondContact OD1-CD1 3.42Å
303	Y	91.2	Very high	92.9	Very high	94 Å²	94	58.2 Å²	58.2	37%	0.369	28%	0.282	S	S	.	.	S	Bend	trans	-75.1	-29.4	-170	-65.2	-75.1	0	0	0	114.6	A279 T280 V300 P305	A279-Y303 HydrophobicContact CB-CD2 4.49Å; T280-Y303 HydrophobicContact CG2-CD1 4.19Å; T280-Y303 HydrophobicContact CG2-CD2 3.68Å; T280-Y303 HydrophobicContact CG2-CE1 3.89Å; T280-Y303 HydrophobicContact CG2-CE2 3.34Å; T280-Y303 HydrophobicContact CG2-CG 4.09Å; T280-Y303 VanDerWaalsContact CG2-CZ 3.45Å; V300-Y303 HydrophobicContact CG1-CE2 3.97Å; Y303-P305 VanDerWaalsContact C-CD 3.49Å
304	F	94.4	Very high	93	Very high	46 Å²	46	63.5 Å²	63.5	20%	0.202	31%	0.314	C	S	.	.			trans	-132.3	54.7	-175.2	-49.9	-67.8	0	0	0	112.5	A279 T280 L282 L285 E306 T307 F308 Y310	A279-F304 WeakPolarHBondContact O-CE2 3.37Å; T280-F304 WeakPolarHBondContact O-CZ 3.44Å; L282-F304 HydrophobicContact CB-CD1 4.29Å; L282-F304 HydrophobicContact CB-CD2 4.39Å; L282-F304 HydrophobicContact CB-CE1 3.83Å; L282-F304 HydrophobicContact CB-CE2 3.94Å; L282-F304 HydrophobicContact CB-CZ 3.64Å; L282-F304 HydrophobicContact CD1-CB 4.49Å; L282-F304 HydrophobicContact CD1-CD1 4.24Å; L282-F304 HydrophobicContact CD1-CD2 4.28Å; L282-F304 HydrophobicContact CD1-CG 4.07Å; L282-F304 HydrophobicContact CD2-CD1 4.38Å; L282-F304 HydrophobicContact CD2-CE1 4.38Å; L285-F304 HydrophobicContact CD1-CD2 3.94Å; L285-F304 HydrophobicContact CD1-CE2 4.11Å; F304-E306 PolarHBondContact O-N 3.44Å; F304-E306 VanDerWaalsContact O-N 3.13Å; F304-T307 PolarHBondContact O-N 2.95Å; F304-F308 HydrophobicContact CB-CD2 3.77Å; F304-F308 HydrophobicContact CB-CE2 3.79Å; F304-F308 HydrophobicContact CD2-CD2 4.44Å; F304-F308 AromaticContact CD2-CE2 3.93Å; F304-F308 HydrophobicContact CD2-CE2 3.93Å; F304-F308 HydrophobicContact CG-CE2 4.16Å; F304-F308 PolarHBondContact O-N 3.33Å; F304-Y310 PolarHBondContact N-OH 2.95Å; F304-Y310 WeakPolarHBondContact O-CE2 3.46Å
305	P	94.5	Very high	93.1	Very high	72 Å²	72	63.8 Å²	63.8	47%	0.468	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.9	-171.9	28.2	-35.5	0	0	0	113.6	N302 Y303 T307	N302-P305 WeakPolarHBondContact O-CD 3.37Å; Y303-P305 VanDerWaalsContact C-CD 3.49Å; P305-T307 VanDerWaalsContact C-N 3.33Å
306	E	94.6	Very high	93.2	Very high	182 Å²	182	68.6 Å²	68.6	85%	0.85	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.7	176.8	-54	-55.1	146.6	0	0	113.2	F304	F304-E306 PolarHBondContact O-N 3.44Å; F304-E306 VanDerWaalsContact O-N 3.13Å
307	T	93.9	Very high	93.3	Very high	81 Å²	81	71.4 Å²	71.4	50%	0.497	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-35.7	-175.2	-50.8	0	0	0	0	113.1	L282 F304 P305	L282-T307 HydrophobicContact CD1-CG2 4.09Å; F304-T307 PolarHBondContact O-N 2.95Å; P305-T307 VanDerWaalsContact C-N 3.33Å
308	F	94.6	Very high	93.8	Very high	11 Å²	11	74.8 Å²	74.8	5%	0.048	37%	0.37	C	S	.	.	S	Bend	trans	-120.4	152.7	-178.2	-50.7	-71.4	0	0	0	111.2	L282 L285 V286 V290 I293 F304 Y310	L282-F308 HydrophobicContact CD1-CE2 3.72Å; L282-F308 HydrophobicContact CD1-CZ 3.74Å; L285-F308 HydrophobicContact CB-CE1 4.11Å; L285-F308 HydrophobicContact CB-CE2 4.05Å; L285-F308 HydrophobicContact CB-CZ 3.45Å; L285-F308 VanDerWaalsContact CB-CZ 3.45Å; L285-F308 HydrophobicContact CD1-CD2 4.28Å; L285-F308 HydrophobicContact CD1-CE2 3.52Å; L285-F308 HydrophobicContact CD1-CZ 3.87Å; L285-F308 HydrophobicContact CG-CE2 4.42Å; L285-F308 HydrophobicContact CG-CZ 4.29Å; V286-F308 HydrophobicContact CG2-CZ 4.32Å; V290-F308 HydrophobicContact CB-CE1 4.39Å; V290-F308 HydrophobicContact CG1-CD1 4.32Å; V290-F308 HydrophobicContact CG1-CE1 4.48Å; V290-F308 WeakPolarHBondContact O-CD1 3.27Å; V290-F308 WeakPolarHBondContact O-CE1 3.33Å; I293-F308 HydrophobicContact CD1-CB 3.89Å; I293-F308 HydrophobicContact CD1-CD2 3.58Å; I293-F308 HydrophobicContact CD1-CE2 4.27Å; I293-F308 HydrophobicContact CD1-CG 3.73Å; I293-F308 HydrophobicContact CG1-CB 4Å; I293-F308 HydrophobicContact CG1-CG 4.23Å; F304-F308 HydrophobicContact CB-CD2 3.77Å; F304-F308 HydrophobicContact CB-CE2 3.79Å; F304-F308 HydrophobicContact CD2-CD2 4.44Å; F304-F308 AromaticContact CD2-CE2 3.93Å; F304-F308 HydrophobicContact CD2-CE2 3.93Å; F304-F308 HydrophobicContact CG-CE2 4.16Å; F304-F308 PolarHBondContact O-N 3.33Å; F308-Y310 HydrophobicContact CB-CD2 4.3Å; F308-Y310 HydrophobicContact CB-CE2 3.83Å; F308-Y310 HydrophobicContact CD2-CE2 4.4Å; F308-Y310 WeakPolarHBondContact O-CD2 3Å
309	V	96.4	Very high	94.1	Very high	77 Å²	77	75.7 Å²	75.7	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.7	170.5	-175.4	0	0	0	0	108.3	T291 H292 I293 F333	T291-V309 PolarHBondContact O-N 3.08Å; H292-V309 CarbonylContact C-O 3.58Å; H292-V309 VanDerWaalsContact CA-O 3.26Å; H292-V309 WeakPolarHBondContact CA-O 3.37Å; I293-V309 PolarHBondContact N-O 3.13Å; V309-F333 HydrophobicContact CB-CZ 4.48Å; V309-F333 HydrophobicContact CG1-CE2 3.9Å; V309-F333 HydrophobicContact CG1-CZ 4.01Å; V309-F333 WeakPolarHBondContact O-CZ 3.33Å
310	Y	96.1	Very high	94.6	Very high	40 Å²	40	72 Å²	72	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.7	-178.1	-78.4	-96.6	0	0	0	113.2	I293 N302 F304 F308	I293-Y310 HydrophobicContact CB-CD1 3.7Å; I293-Y310 HydrophobicContact CB-CE1 3.61Å; I293-Y310 HydrophobicContact CB-CG 4.36Å; I293-Y310 HydrophobicContact CD1-CE1 3.92Å; I293-Y310 HydrophobicContact CD1-CE2 4.42Å; I293-Y310 HydrophobicContact CG1-CE1 4.26Å; I293-Y310 HydrophobicContact CG2-CD1 3.88Å; I293-Y310 HydrophobicContact CG2-CE1 3.59Å; I293-Y310 CarbonylContact O-C 3.31Å; I293-Y310 VanDerWaalsContact O-CA 3.32Å; I293-Y310 WeakPolarHBondContact O-CA 3.42Å; N302-Y310 HydrophobicContact CB-CD1 3.72Å; N302-Y310 HydrophobicContact CB-CD2 4.25Å; N302-Y310 HydrophobicContact CB-CE1 3.67Å; N302-Y310 HydrophobicContact CB-CE2 4.23Å; N302-Y310 HydrophobicContact CB-CG 4Å; N302-Y310 WeakPolarHBondContact ND2-CB 3.22Å; N302-Y310 VanDerWaalsContact OD1-CD1 3.26Å; N302-Y310 WeakPolarHBondContact OD1-CD1 3.42Å; F304-Y310 PolarHBondContact N-OH 2.95Å; F304-Y310 WeakPolarHBondContact O-CE2 3.46Å; F308-Y310 HydrophobicContact CB-CD2 4.3Å; F308-Y310 HydrophobicContact CB-CE2 3.83Å; F308-Y310 HydrophobicContact CD2-CE2 4.4Å; F308-Y310 WeakPolarHBondContact O-CD2 3Å
311	K	96.4	Very high	95.1	Very high	56 Å²	56	74.4 Å²	74.4	24%	0.243	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.4	161.8	-177.8	79	177.9	-172.1	0	108.5	I293 I294 N295 E329 F333	I293-K311 PolarHBondContact O-N 3.5Å; I294-K311 CarbonylContact C-O 3.55Å; I294-K311 WeakPolarHBondContact CA-O 3.26Å; I294-K311 HydrophobicContact CG1-CB 4.21Å; N295-K311 PolarHBondContact N-O 2.98Å; K311-E329 VanDerWaalsContact CE-OE1 3.23Å; K311-E329 WeakPolarHBondContact CE-OE1 3.29Å; K311-E329 WeakPolarHBondContact CE-OE2 3.34Å; K311-E329 VanDerWaalsContact NZ-CD 3.3Å; K311-E329 IonicContact NZ-OE1 2.87Å; K311-E329 IonicContact NZ-OE2 3.98Å; K311-E329 PolarHBondContact NZ-OE2 3.27Å; K311-F333 HydrophobicContact CB-CD1 3.86Å; K311-F333 HydrophobicContact CB-CD2 3.92Å; K311-F333 HydrophobicContact CB-CE1 3.72Å; K311-F333 HydrophobicContact CB-CE2 3.81Å; K311-F333 HydrophobicContact CB-CG 3.93Å; K311-F333 HydrophobicContact CB-CZ 3.69Å; K311-F333 HydrophobicContact CD-CD2 4.46Å; K311-F333 HydrophobicContact CG-CD2 4.48Å; K311-F333 HydrophobicContact CG-CG 4.39Å
312	R	95.5	Very high	95.5	Very high	92 Å²	92	70.8 Å²	70.8	35%	0.347	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.7	176.1	177.6	55.9	165.3	-149.7	-16.2	109.8	N295 G297 V300 V314	N295-R312 PolarHBondContact ND2-NH1 2.68Å; N295-R312 VanDerWaalsContact O-CD 3.23Å; N295-R312 WeakPolarHBondContact O-CD 3.43Å; N295-R312 PolarHBondContact OD1-NH1 2.92Å; G297-R312 PolarHBondContact O-NH1 2.91Å; G297-R312 PolarHBondContact O-NH2 3.42Å; G297-R312 VanDerWaalsContact O-NH2 3.13Å; V300-R312 PolarHBondContact O-NH1 3.02Å; V300-R312 PolarHBondContact O-NH2 3.15Å; R312-V314 HydrophobicContact CG-CG2 4.34Å
313	I	94.7	Very high	95.6	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	36%	0.355	C	S	.	.			trans	-122	122.2	173.6	24.4	176.4	0	0	0	109.2	I294 N295 A296 I315 Y326 E329 I358	I294-I313 HydrophobicContact CG2-CD1 3.34Å; I294-I313 HydrophobicContact CG2-CG1 3.76Å; N295-I313 WeakPolarHBondContact O-CG1 3.35Å; N295-I313 PolarHBondContact O-N 2.99Å; A296-I313 HydrophobicContact CB-CD1 3.77Å; A296-I313 HydrophobicContact CB-CG1 3.9Å; I313-I315 PolarHBondContact O-N 3.33Å; I313-Y326 HydrophobicContact CG2-CD1 3.45Å; I313-Y326 VanDerWaalsContact CG2-CD1 3.45Å; I313-Y326 HydrophobicContact CG2-CD2 4.26Å; I313-Y326 HydrophobicContact CG2-CE1 3.81Å; I313-Y326 HydrophobicContact CG2-CG 3.68Å; I313-E329 WeakPolarHBondContact CG2-OE1 3.11Å; I313-I358 HydrophobicContact CD1-CD1 3.24Å; I313-I358 HydrophobicContact CD1-CG1 4.25Å
314	V	94.4	Very high	96	Very high	112 Å²	112	66 Å²	66	68%	0.679	35%	0.347	S	S	*	.			trans	-95.6	100.1	-176	-175.3	0	0	0	0	108.1	R312 Y326	R312-V314 HydrophobicContact CG-CG2 4.34Å; V314-Y326 PolarHBondContact O-OH 3.48Å
315	I	95.6	Very high	96.1	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.031	36%	0.361	C	S	.	.			trans	-149.5	140.2	-179.8	-166.3	168.9	0	0	0	111.5	T298 I313 E321 I323 Y326 R354 F391	T298-I315 PolarHBondContact OG1-O 3.08Å; I313-I315 PolarHBondContact O-N 3.33Å; I315-E321 HydrophobicContact CD1-CB 4.05Å; I315-E321 HydrophobicContact CG1-CB 3.86Å; I315-E321 HydrophobicContact CG1-CG 4.26Å; I315-I323 VanDerWaalsContact CD1-CA 3.44Å; I315-I323 HydrophobicContact CD1-CB 3.43Å; I315-I323 VanDerWaalsContact CD1-CB 3.43Å; I315-I323 HydrophobicContact CD1-CD1 4.09Å; I315-I323 HydrophobicContact CD1-CG1 3.65Å; I315-Y326 HydrophobicContact CB-CE2 4.09Å; I315-Y326 HydrophobicContact CD1-CD2 4.19Å; I315-Y326 HydrophobicContact CD1-CE2 4.06Å; I315-Y326 HydrophobicContact CG1-CE2 4.46Å; I315-R354 HydrophobicContact CG2-CG 4.15Å; I315-R354 PolarHBondContact O-NH1 2.79Å; I315-R354 VanDerWaalsContact O-NH1 3.16Å; I315-F391 HydrophobicContact CD1-CE1 4.37Å; I315-F391 HydrophobicContact CD1-CZ 4.14Å
316	Q	95.9	Very high	96.3	Very high	101 Å²	101	67.7 Å²	67.7	47%	0.472	35%	0.346	S	S	.	.			trans	-86.8	159.9	172.4	-56.8	-169.3	13.5	0	0	111	L318 E321	Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 HydrophobicContact CB-CD1 4.18Å; Q316-L318 HydrophobicContact CB-CG 4.14Å; Q316-L318 PolarHBondContact O-N 3.11Å; Q316-L318 VanDerWaalsContact O-N 3.13Å; Q316-E321 HydrophobicContact CB-CG 4.04Å
317	D	95	Very high	96.4	Very high	59 Å²	59	59 Å²	59	32%	0.316	31%	0.305	S	S	.	.	S	Bend	trans	-88.6	61.8	177.3	-158.7	1.1	0	0	0	111.7	S353 R354 N388	D317-S353 WeakPolarHBondContact OD1-CB 3.41Å; D317-S353 PolarHBondContact OD1-OG 2.83Å; D317-S353 VanDerWaalsContact OD2-CB 3.27Å; D317-S353 WeakPolarHBondContact OD2-CB 3.43Å; D317-R354 HydrophobicContact CB-CG 4.35Å; D317-N388 PolarHBondContact OD1-ND2 3.2Å; D317-N388 VanDerWaalsContact OD1-ND2 3.07Å
318	L	97.1	Very high	96.6	Very high	73 Å²	73	57.8 Å²	57.8	38%	0.382	29%	0.294	S	S	.	.			trans	-121.2	141.6	-177.9	-62	175.1	0	0	0	110.2	Q316 T320 E321 F391	Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 HydrophobicContact CB-CD1 4.18Å; Q316-L318 HydrophobicContact CB-CG 4.14Å; Q316-L318 PolarHBondContact O-N 3.11Å; Q316-L318 VanDerWaalsContact O-N 3.13Å; L318-T320 PolarHBondContact O-N 3.41Å; L318-T320 VanDerWaalsContact O-N 3.07Å; L318-E321 HydrophobicContact CB-CG 4Å; L318-E321 PolarHBondContact O-N 3.35Å; L318-E321 VanDerWaalsContact O-N 3.08Å; L318-F391 WeakPolarHBondContact O-CE1 3.07Å
319	P	95.9	Very high	96.7	Very high	74 Å²	74	60.4 Å²	60.4	48%	0.481	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	175.3	-25.6	34.8	0	0	0	114.8	N388 G390	P319-N388 WeakPolarHBondContact CA-OD1 3.48Å; P319-N388 HydrophobicContact CG-CB 4.35Å; P319-G390 WeakPolarHBondContact O-CA 3.32Å
320	T	97.6	Very high	96.6	Very high	127 Å²	127	56.7 Å²	56.7	78%	0.779	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.1	179.8	52.9	0	0	0	0	113.9	L318	L318-T320 PolarHBondContact O-N 3.41Å; L318-T320 VanDerWaalsContact O-N 3.07Å
321	E	98.1	Very high	96.5	Very high	53 Å²	53	54.8 Å²	54.8	25%	0.248	28%	0.277	C	S	.	.	S	Bend	trans	-78.1	140	178.2	-72.9	-79.3	165.8	0	0	110.7	I315 Q316 L318 I323 F391 Q394	I315-E321 HydrophobicContact CD1-CB 4.05Å; I315-E321 HydrophobicContact CG1-CB 3.86Å; I315-E321 HydrophobicContact CG1-CG 4.26Å; Q316-E321 HydrophobicContact CB-CG 4.04Å; L318-E321 HydrophobicContact CB-CG 4Å; L318-E321 PolarHBondContact O-N 3.35Å; L318-E321 VanDerWaalsContact O-N 3.08Å; E321-I323 PolarHBondContact O-N 2.87Å; E321-F391 HydrophobicContact CB-CE1 4.05Å; E321-F391 HydrophobicContact CB-CZ 4.34Å; E321-F391 WeakPolarHBondContact O-CE1 3.09Å; E321-Q394 PolarHBondContact O-NE2 2.89Å
322	D	98.1	Very high	96.4	Very high	75 Å²	75	55.9 Å²	55.9	40%	0.401	29%	0.285	S	S	.	.			trans	-85.3	98.9	173.6	178	5.1	0	0	0	109.3	K324 K325 Q394	D322-K324 PolarHBondContact OD1-N 2.86Å; D322-K324 VanDerWaalsContact OD1-N 3.15Å; D322-K325 HydrophobicContact CB-CD 4.27Å; D322-K325 VanDerWaalsContact O-CE 3.29Å; D322-K325 WeakPolarHBondContact O-CE 3.19Å; D322-K325 WeakPolarHBondContact O-CG 3.33Å; D322-K325 PolarHBondContact OD1-N 3.28Å; D322-Q394 PolarHBondContact OD1-OE1 2.75Å
323	I	98.2	Very high	96.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.271	C	S	.	.			trans	-88.5	-26.3	173.2	-162.9	162	0	0	0	111.7	I315 E321 K325 Y326 F327 R354 I358 F391	I315-I323 VanDerWaalsContact CD1-CA 3.44Å; I315-I323 HydrophobicContact CD1-CB 3.43Å; I315-I323 VanDerWaalsContact CD1-CB 3.43Å; I315-I323 HydrophobicContact CD1-CD1 4.09Å; I315-I323 HydrophobicContact CD1-CG1 3.65Å; E321-I323 PolarHBondContact O-N 2.87Å; I323-K325 VanDerWaalsContact C-N 3.25Å; I323-K325 PolarHBondContact O-N 2.91Å; I323-Y326 WeakPolarHBondContact O-CB 3.42Å; I323-Y326 PolarHBondContact O-N 2.96Å; I323-F327 HydrophobicContact CB-CE1 4.44Å; I323-F327 HydrophobicContact CG1-CE1 3.99Å; I323-F327 HydrophobicContact CG2-CE1 3.93Å; I323-F327 HydrophobicContact CG2-CZ 3.83Å; I323-R354 HydrophobicContact CD1-CB 4.39Å; I323-R354 HydrophobicContact CD1-CG 4.46Å; I323-I358 HydrophobicContact CD1-CG1 4.38Å; I323-F391 HydrophobicContact CB-CD1 3.91Å; I323-F391 HydrophobicContact CB-CE1 3.82Å; I323-F391 HydrophobicContact CB-CG 4.37Å; I323-F391 HydrophobicContact CB-CZ 4.19Å; I323-F391 HydrophobicContact CD1-CD2 3.93Å; I323-F391 HydrophobicContact CD1-CE1 4.48Å; I323-F391 HydrophobicContact CD1-CE2 3.79Å; I323-F391 HydrophobicContact CD1-CG 4.37Å; I323-F391 HydrophobicContact CD1-CZ 4.07Å; I323-F391 HydrophobicContact CG2-CB 4.09Å; I323-F391 HydrophobicContact CG2-CD1 3.4Å; I323-F391 VanDerWaalsContact CG2-CD1 3.4Å; I323-F391 HydrophobicContact CG2-CD2 4.35Å; I323-F391 HydrophobicContact CG2-CE1 3.87Å; I323-F391 HydrophobicContact CG2-CG 3.69Å
324	K	98.2	Very high	96.2	Very high	47 Å²	47	52.3 Å²	52.3	20%	0.204	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.9	-38.5	-177.1	-167.6	173.4	71.8	176.6	0	111.7	D322 Y326 F327 Q394 E397 Y398 E401	D322-K324 PolarHBondContact OD1-N 2.86Å; D322-K324 VanDerWaalsContact OD1-N 3.15Å; K324-Y326 PolarHBondContact O-N 3.43Å; K324-F327 HydrophobicContact CB-CD2 4.25Å; K324-F327 HydrophobicContact CB-CE2 4.16Å; K324-F327 HydrophobicContact CG-CD2 3.82Å; K324-F327 HydrophobicContact CG-CE2 4Å; K324-F327 WeakPolarHBondContact O-CB 3.45Å; K324-F327 PolarHBondContact O-N 3.1Å; K324-Q394 HydrophobicContact CB-CB 4.18Å; K324-Q394 HydrophobicContact CB-CG 4.4Å; K324-E397 HydrophobicContact CD-CB 4.36Å; K324-E397 IonicContact NZ-OE2 2.55Å; K324-E397 PolarHBondContact NZ-OE2 3.19Å; K324-Y398 HydrophobicContact CG-CD2 4.46Å; K324-E401 IonicContact NZ-OE1 3.69Å; K324-E401 PolarHBondContact NZ-OE1 3.15Å
325	K	97.8	Very high	95.9	Very high	114 Å²	114	47.6 Å²	47.6	50%	0.496	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-54.9	-21.6	176.4	72.7	-175.6	-178.1	-173.3	0	114.6	D322 I323	D322-K325 HydrophobicContact CB-CD 4.27Å; D322-K325 VanDerWaalsContact O-CE 3.29Å; D322-K325 WeakPolarHBondContact O-CE 3.19Å; D322-K325 WeakPolarHBondContact O-CG 3.33Å; D322-K325 PolarHBondContact OD1-N 3.28Å; I323-K325 VanDerWaalsContact C-N 3.25Å; I323-K325 PolarHBondContact O-N 2.91Å
326	Y	98.3	Very high	95.6	Very high	39 Å²	39	52.1 Å²	52.1	15%	0.153	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-95.2	-10.2	179.4	-60.1	-61.3	0	0	0	113.7	I313 V314 I315 I323 K324 E328 E329 C330	I313-Y326 HydrophobicContact CG2-CD1 3.45Å; I313-Y326 VanDerWaalsContact CG2-CD1 3.45Å; I313-Y326 HydrophobicContact CG2-CD2 4.26Å; I313-Y326 HydrophobicContact CG2-CE1 3.81Å; I313-Y326 HydrophobicContact CG2-CG 3.68Å; V314-Y326 PolarHBondContact O-OH 3.48Å; I315-Y326 HydrophobicContact CB-CE2 4.09Å; I315-Y326 HydrophobicContact CD1-CD2 4.19Å; I315-Y326 HydrophobicContact CD1-CE2 4.06Å; I315-Y326 HydrophobicContact CG1-CE2 4.46Å; I323-Y326 WeakPolarHBondContact O-CB 3.42Å; I323-Y326 PolarHBondContact O-N 2.96Å; K324-Y326 PolarHBondContact O-N 3.43Å; Y326-E328 PolarHBondContact O-N 3.3Å; Y326-E329 VanDerWaalsContact CD1-OE1 3.23Å; Y326-E329 WeakPolarHBondContact CD1-OE1 3.12Å; Y326-E329 WeakPolarHBondContact O-CG 3.42Å; Y326-C330 VanDerWaalsContact O-CB 3.31Å; Y326-C330 WeakPolarHBondContact O-CB 3.33Å; Y326-C330 PolarHBondContact O-N 3.42Å; Y326-C330 PolarHBondContact O-SG 3.1Å
327	F	97.2	Very high	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-49.6	-172.9	-70.3	-13.8	0	0	0	112.5	I323 K324 C330 N331 A361 L395 Y398	I323-F327 HydrophobicContact CB-CE1 4.44Å; I323-F327 HydrophobicContact CG1-CE1 3.99Å; I323-F327 HydrophobicContact CG2-CE1 3.93Å; I323-F327 HydrophobicContact CG2-CZ 3.83Å; K324-F327 HydrophobicContact CB-CD2 4.25Å; K324-F327 HydrophobicContact CB-CE2 4.16Å; K324-F327 HydrophobicContact CG-CD2 3.82Å; K324-F327 HydrophobicContact CG-CE2 4Å; K324-F327 WeakPolarHBondContact O-CB 3.45Å; K324-F327 PolarHBondContact O-N 3.1Å; F327-C330 PolarHBondContact O-N 3.32Å; F327-N331 WeakPolarHBondContact O-CB 3.31Å; F327-N331 PolarHBondContact O-N 3.32Å; F327-N331 PolarHBondContact O-ND2 2.85Å; F327-A361 HydrophobicContact CB-CB 3.89Å; F327-A361 HydrophobicContact CD1-CB 3.5Å; F327-A361 VanDerWaalsContact CD1-CB 3.5Å; F327-A361 HydrophobicContact CD2-CB 3.59Å; F327-A361 HydrophobicContact CE1-CB 3.81Å; F327-A361 HydrophobicContact CE2-CB 3.92Å; F327-A361 HydrophobicContact CG-CB 3.38Å; F327-A361 HydrophobicContact CZ-CB 4.02Å; F327-L395 HydrophobicContact CE1-CD2 4.47Å; F327-L395 HydrophobicContact CE2-CD2 3.77Å; F327-L395 HydrophobicContact CE2-CG 4.22Å; F327-L395 HydrophobicContact CZ-CD2 3.61Å; F327-L395 HydrophobicContact CZ-CG 3.93Å; F327-Y398 HydrophobicContact CB-CE1 4.38Å; F327-Y398 HydrophobicContact CB-CE2 4.18Å; F327-Y398 AromaticContact CD2-CD1 3.81Å; F327-Y398 HydrophobicContact CD2-CD1 3.81Å; F327-Y398 AromaticContact CD2-CD2 3.91Å; F327-Y398 HydrophobicContact CD2-CD2 3.91Å; F327-Y398 HydrophobicContact CD2-CE1 4.25Å; F327-Y398 HydrophobicContact CD2-CE2 4.35Å; F327-Y398 AromaticContact CD2-CG 3.61Å; F327-Y398 HydrophobicContact CD2-CG 3.61Å; F327-Y398 HydrophobicContact CE2-CD1 4.38Å; F327-Y398 HydrophobicContact CE2-CG 4.16Å
328	E	97.1	Very high	94.6	Very high	55 Å²	55	49 Å²	49	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-46.8	-178.5	-72.8	-62.4	162.3	0	0	112.8	Y326 C330 N331 D332 K365 Y398 R405	Y326-E328 PolarHBondContact O-N 3.3Å; E328-C330 VanDerWaalsContact C-N 3.34Å; E328-C330 PolarHBondContact O-N 3.1Å; E328-N331 WeakPolarHBondContact O-CB 3.35Å; E328-N331 PolarHBondContact O-N 3.13Å; E328-D332 PolarHBondContact O-N 3.49Å; E328-K365 IonicContact OE1-NZ 3.29Å; E328-K365 PolarHBondContact OE1-NZ 2.99Å; E328-K365 IonicContact OE2-NZ 3.84Å; E328-K365 PolarHBondContact OE2-NZ 3.48Å; E328-Y398 PolarHBondContact OE1-OH 3.42Å; E328-R405 IonicContact OE1-NH1 2.83Å
329	E	96.7	Very high	93.9	Very high	65 Å²	65	55.3 Å²	55.3	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-34.2	178.7	60.8	158.4	-146.7	0	0	113.2	K311 I313 Y326 F333	K311-E329 VanDerWaalsContact CE-OE1 3.23Å; K311-E329 WeakPolarHBondContact CE-OE1 3.29Å; K311-E329 WeakPolarHBondContact CE-OE2 3.34Å; K311-E329 VanDerWaalsContact NZ-CD 3.3Å; K311-E329 IonicContact NZ-OE1 2.87Å; K311-E329 IonicContact NZ-OE2 3.98Å; K311-E329 PolarHBondContact NZ-OE2 3.27Å; I313-E329 WeakPolarHBondContact CG2-OE1 3.11Å; Y326-E329 VanDerWaalsContact CD1-OE1 3.23Å; Y326-E329 WeakPolarHBondContact CD1-OE1 3.12Å; Y326-E329 WeakPolarHBondContact O-CG 3.42Å; E329-F333 WeakPolarHBondContact O-CB 3.21Å; E329-F333 PolarHBondContact O-N 3.27Å; E329-F333 VanDerWaalsContact O-N 3.1Å
330	C	95.8	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.4	-40.1	175.8	-69.3	0	0	0	0	110.7	I294 Y326 F327 E328 F333 I334 I358	I294-C330 HydrophobicContact CD1-CB 3.83Å; Y326-C330 VanDerWaalsContact O-CB 3.31Å; Y326-C330 WeakPolarHBondContact O-CB 3.33Å; Y326-C330 PolarHBondContact O-N 3.42Å; Y326-C330 PolarHBondContact O-SG 3.1Å; F327-C330 PolarHBondContact O-N 3.32Å; E328-C330 VanDerWaalsContact C-N 3.34Å; E328-C330 PolarHBondContact O-N 3.1Å; C330-F333 PolarHBondContact O-N 3.47Å; C330-I334 VanDerWaalsContact O-CG1 3.28Å; C330-I334 WeakPolarHBondContact O-CG1 3.23Å; C330-I334 PolarHBondContact O-N 2.84Å; C330-I358 HydrophobicContact CB-CG2 3.58Å
331	N	93.6	Very high	92.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-46	176.7	-85.7	-2.4	0	0	0	111.8	F327 E328 F333 I334 N335 Y362 Y366 Y398	F327-N331 WeakPolarHBondContact O-CB 3.31Å; F327-N331 PolarHBondContact O-N 3.32Å; F327-N331 PolarHBondContact O-ND2 2.85Å; E328-N331 WeakPolarHBondContact O-CB 3.35Å; E328-N331 PolarHBondContact O-N 3.13Å; N331-F333 VanDerWaalsContact C-N 3.34Å; N331-I334 PolarHBondContact O-N 3.28Å; N331-N335 PolarHBondContact O-N 3.47Å; N331-Y362 WeakPolarHBondContact OD1-CA 3.44Å; N331-Y362 VanDerWaalsContact OD1-CB 3.23Å; N331-Y362 WeakPolarHBondContact OD1-CB 3.33Å; N331-Y362 PolarHBondContact OD1-N 3.2Å; N331-Y366 HydrophobicContact CB-CE2 3.83Å; N331-Y398 PolarHBondContact ND2-OH 3.07Å
332	D	94.2	Very high	91.7	Very high	78 Å²	78	54.3 Å²	54.3	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-39.5	174.6	-72.9	-17.2	0	0	0	112.1	E328 N335 Q336	E328-D332 PolarHBondContact O-N 3.49Å; D332-N335 PolarHBondContact O-N 2.97Å; D332-Q336 VanDerWaalsContact O-CG 3.31Å; D332-Q336 WeakPolarHBondContact O-CG 3.21Å; D332-Q336 PolarHBondContact O-N 3.5Å
333	F	95	Very high	91.1	Very high	14 Å²	14	52.5 Å²	52.5	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-41	178	-170.3	-99.2	0	0	0	112.7	H292 I294 V309 K311 E329 C330 N331 N335 Q336 A337	H292-F333 HydrophobicContact CB-CD1 4.47Å; H292-F333 HydrophobicContact CB-CE1 3.69Å; H292-F333 HydrophobicContact CB-CZ 3.96Å; H292-F333 AromaticContact CD2-CE2 3.88Å; H292-F333 AromaticContact CD2-CZ 3.64Å; I294-F333 HydrophobicContact CD1-CB 4.47Å; I294-F333 HydrophobicContact CD1-CD1 3.86Å; I294-F333 HydrophobicContact CG1-CD1 3.42Å; I294-F333 VanDerWaalsContact CG1-CD1 3.42Å; I294-F333 HydrophobicContact CG1-CE1 3.78Å; I294-F333 HydrophobicContact CG1-CG 4.43Å; V309-F333 HydrophobicContact CB-CZ 4.48Å; V309-F333 HydrophobicContact CG1-CE2 3.9Å; V309-F333 HydrophobicContact CG1-CZ 4.01Å; V309-F333 WeakPolarHBondContact O-CZ 3.33Å; K311-F333 HydrophobicContact CB-CD1 3.86Å; K311-F333 HydrophobicContact CB-CD2 3.92Å; K311-F333 HydrophobicContact CB-CE1 3.72Å; K311-F333 HydrophobicContact CB-CE2 3.81Å; K311-F333 HydrophobicContact CB-CG 3.93Å; K311-F333 HydrophobicContact CB-CZ 3.69Å; K311-F333 HydrophobicContact CD-CD2 4.46Å; K311-F333 HydrophobicContact CG-CD2 4.48Å; K311-F333 HydrophobicContact CG-CG 4.39Å; E329-F333 WeakPolarHBondContact O-CB 3.21Å; E329-F333 PolarHBondContact O-N 3.27Å; E329-F333 VanDerWaalsContact O-N 3.1Å; C330-F333 PolarHBondContact O-N 3.47Å; N331-F333 VanDerWaalsContact C-N 3.34Å; F333-N335 VanDerWaalsContact C-N 3.31Å; F333-N335 PolarHBondContact O-N 3.46Å; F333-Q336 WeakPolarHBondContact O-CB 3.23Å; F333-Q336 PolarHBondContact O-N 3.43Å; F333-A337 PolarHBondContact O-N 2.86Å
334	I	91.4	Very high	90.5	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-42.6	173.7	-66.3	162.3	0	0	0	110	A270 I294 C330 N331 Q336 A337 R338 C344 V346 Y362	A270-I334 HydrophobicContact CB-CG2 3.8Å; I294-I334 HydrophobicContact CD1-CD1 4.22Å; I294-I334 HydrophobicContact CD1-CG1 3.9Å; C330-I334 VanDerWaalsContact O-CG1 3.28Å; C330-I334 WeakPolarHBondContact O-CG1 3.23Å; C330-I334 PolarHBondContact O-N 2.84Å; N331-I334 PolarHBondContact O-N 3.28Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 3.26Å; I334-A337 WeakPolarHBondContact O-CB 3.5Å; I334-A337 PolarHBondContact O-N 3.34Å; I334-R338 PolarHBondContact O-N 3.16Å; I334-C344 HydrophobicContact CG1-CB 4.46Å; I334-V346 HydrophobicContact CD1-CG2 4.3Å; I334-V346 HydrophobicContact CG1-CG2 4.47Å; I334-Y362 HydrophobicContact CB-CD2 3.75Å; I334-Y362 HydrophobicContact CB-CE2 3.73Å; I334-Y362 HydrophobicContact CD1-CD2 3.73Å; I334-Y362 HydrophobicContact CD1-CG 3.97Å; I334-Y362 HydrophobicContact CG1-CD2 4.36Å; I334-Y362 HydrophobicContact CG2-CD2 3.63Å; I334-Y362 HydrophobicContact CG2-CE1 4.34Å; I334-Y362 HydrophobicContact CG2-CE2 3.33Å; I334-Y362 HydrophobicContact CG2-CG 4.24Å
335	N	86.9	Confident	90.1	Very high	14 Å²	14	50.4 Å²	50.4	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-33.2	176.9	-92.3	-23.4	0	0	0	113.7	N331 D332 F333 A337 R338 R339 Y362 Y366	N331-N335 PolarHBondContact O-N 3.47Å; D332-N335 PolarHBondContact O-N 2.97Å; F333-N335 VanDerWaalsContact C-N 3.31Å; F333-N335 PolarHBondContact O-N 3.46Å; N335-A337 VanDerWaalsContact C-N 3.34Å; N335-R338 PolarHBondContact O-N 2.74Å; N335-R339 WeakPolarHBondContact O-CB 3.47Å; N335-R339 VanDerWaalsContact O-CG 3.25Å; N335-R339 WeakPolarHBondContact O-CG 3.33Å; N335-R339 PolarHBondContact O-N 3.33Å; N335-Y362 PolarHBondContact OD1-OH 3.5Å; N335-Y366 WeakPolarHBondContact ND2-CE1 3.47Å; N335-Y366 WeakPolarHBondContact ND2-CE2 3.4Å; N335-Y366 PolarHBondContact ND2-OH 3.47Å; N335-Y366 VanDerWaalsContact ND2-OH 3.08Å
336	Q	89.7	Confident	89.8	Confident	100 Å²	100	45 Å²	45	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-60.1	-46	172.6	-74	167.5	40.8	0	0	110.8	D332 F333 I334 R338 R339 A340	D332-Q336 VanDerWaalsContact O-CG 3.31Å; D332-Q336 WeakPolarHBondContact O-CG 3.21Å; D332-Q336 PolarHBondContact O-N 3.5Å; F333-Q336 WeakPolarHBondContact O-CB 3.23Å; F333-Q336 PolarHBondContact O-N 3.43Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 3.26Å; Q336-R338 PolarHBondContact O-N 3.32Å; Q336-R339 PolarHBondContact O-N 3.06Å; Q336-A340 WeakPolarHBondContact O-CB 3.4Å; Q336-A340 PolarHBondContact O-N 3.38Å
337	A	86.9	Confident	89.2	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-47.9	175.1	0	0	0	0	0	111.7	H292 F333 I334 N335 R339 A340 N341 G342 C344	H292-A337 HydrophobicContact CB-CB 3.73Å; H292-A337 WeakPolarHBondContact ND1-CB 3.31Å; F333-A337 PolarHBondContact O-N 2.86Å; I334-A337 WeakPolarHBondContact O-CB 3.5Å; I334-A337 PolarHBondContact O-N 3.34Å; N335-A337 VanDerWaalsContact C-N 3.34Å; A337-R339 PolarHBondContact O-N 2.98Å; A337-A340 CarbonylContact O-C 3.5Å; A337-A340 PolarHBondContact O-N 2.79Å; A337-N341 PolarHBondContact O-N 2.95Å; A337-G342 CarbonylContact C-O 3.48Å; A337-G342 CarbonylContact O-C 3.55Å; A337-G342 WeakPolarHBondContact O-CA 2.93Å; A337-G342 PolarHBondContact O-N 2.92Å; A337-C344 HydrophobicContact CB-CB 3.87Å
338	R	82	Confident	88.7	Confident	95 Å²	95	43.3 Å²	43.3	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-43.8	179.2	179.9	173.5	149.8	178.9	-15.7	112.3	L264 I334 N335 Q336 A340 N341 Y362 E367	L264-R338 VanDerWaalsContact CD1-NH2 3.32Å; I334-R338 PolarHBondContact O-N 3.16Å; N335-R338 PolarHBondContact O-N 2.74Å; Q336-R338 PolarHBondContact O-N 3.32Å; R338-A340 VanDerWaalsContact C-N 3.27Å; R338-A340 PolarHBondContact O-N 3Å; R338-N341 PolarHBondContact O-N 2.95Å; R338-Y362 PolarHBondContact NH1-OH 3.35Å; R338-E367 IonicContact NH1-OE1 2.68Å
339	R	83.6	Confident	88.2	Confident	204 Å²	204	43 Å²	43	77%	0.77	21%	0.212	S	C	*	.	H	α-helix	trans	-64.4	-31.2	176.7	-73.6	173.1	-174.9	171.9	3.7	112.7	N335 Q336 A337 N341	N335-R339 WeakPolarHBondContact O-CB 3.47Å; N335-R339 VanDerWaalsContact O-CG 3.25Å; N335-R339 WeakPolarHBondContact O-CG 3.33Å; N335-R339 PolarHBondContact O-N 3.33Å; Q336-R339 PolarHBondContact O-N 3.06Å; A337-R339 PolarHBondContact O-N 2.98Å; R339-N341 PolarHBondContact O-N 3.3Å
340	A	83.7	Confident	87.4	Confident	68 Å²	68	42 Å²	42	56%	0.562	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	9.1	174.1	0	0	0	0	0	113.3	Q336 A337 R338 G342	Q336-A340 WeakPolarHBondContact O-CB 3.4Å; Q336-A340 PolarHBondContact O-N 3.38Å; A337-A340 CarbonylContact O-C 3.5Å; A337-A340 PolarHBondContact O-N 2.79Å; R338-A340 VanDerWaalsContact C-N 3.27Å; R338-A340 PolarHBondContact O-N 3Å; A340-G342 PolarHBondContact O-N 2.98Å; A340-G342 VanDerWaalsContact O-N 3.16Å
341	N	80.6	Confident	86.9	Confident	153 Å²	153	42 Å²	42	82%	0.818	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	29.9	-173.6	-154	43.3	0	0	0	112.9	A337 R338 R339	A337-N341 PolarHBondContact O-N 2.95Å; R338-N341 PolarHBondContact O-N 2.95Å; R339-N341 PolarHBondContact O-N 3.3Å
342	G	80.9	Confident	86.4	Confident	13 Å²	13	45.1 Å²	45.1	13%	0.134	23%	0.231	C	C	.	.			trans	-113.8	177.9	179	0	0	0	0	0	111.5	A337 A340	A337-G342 CarbonylContact C-O 3.48Å; A337-G342 CarbonylContact O-C 3.55Å; A337-G342 WeakPolarHBondContact O-CA 2.93Å; A337-G342 PolarHBondContact O-N 2.92Å; A340-G342 PolarHBondContact O-N 2.98Å; A340-G342 VanDerWaalsContact O-N 3.16Å
343	R	84.7	Confident	86.4	Confident	36 Å²	36	41.6 Å²	41.6	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146	-176.9	-66.9	-160	-154.5	166.7	-15.8	112.3	E267 F269 N288 R289 T291 H292	E267-R343 IonicContact OE1-CZ 3.77Å; E267-R343 IonicContact OE1-NH2 2.76Å; E267-R343 PolarHBondContact OE1-NH2 2.89Å; E267-R343 IonicContact OE2-CZ 3.69Å; E267-R343 VanDerWaalsContact OE2-CZ 3.29Å; E267-R343 IonicContact OE2-NE 3.66Å; E267-R343 PolarHBondContact OE2-NE 3.45Å; E267-R343 IonicContact OE2-NH2 3.81Å; E267-R343 PolarHBondContact OE2-NH2 3.22Å; F269-R343 HydrophobicContact CB-CB 3.43Å; F269-R343 VanDerWaalsContact CB-CB 3.43Å; F269-R343 HydrophobicContact CB-CG 3.8Å; F269-R343 HydrophobicContact CG-CB 4.17Å; F269-R343 HydrophobicContact CG-CG 4.41Å; F269-R343 CarbonylContact O-C 3.58Å; N288-R343 WeakPolarHBondContact O-CD 2.79Å; N288-R343 PolarHBondContact O-NH1 3.29Å; N288-R343 VanDerWaalsContact O-NH1 3.15Å; R289-R343 WeakPolarHBondContact O-CB 3.48Å; R289-R343 PolarHBondContact O-N 2.81Å; T291-R343 PolarHBondContact N-O 3.18Å; T291-R343 PolarHBondContact OG1-N 2.76Å; T291-R343 PolarHBondContact OG1-O 2.92Å; H292-R343 PolarHBondContact N-O 3.33Å; H292-R343 VanDerWaalsContact N-O 3.11Å
344	C	87.1	Confident	86.3	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.2	-179.2	-172.6	0	0	0	0	112.9	F269 A270 H292 I334 A337	F269-C344 CarbonylContact C-O 3.4Å; F269-C344 CarbonylContact O-C 3.55Å; F269-C344 WeakPolarHBondContact O-CA 3.24Å; F269-C344 PolarHBondContact O-N 3.02Å; A270-C344 CarbonylContact C-O 3.56Å; A270-C344 WeakPolarHBondContact CA-O 3.33Å; H292-C344 HydrophobicContact CB-CB 4.21Å; H292-C344 CarbonylContact O-C 3.45Å; H292-C344 VanDerWaalsContact O-CA 3.24Å; H292-C344 WeakPolarHBondContact O-CA 3Å; I334-C344 HydrophobicContact CG1-CB 4.46Å; A337-C344 HydrophobicContact CB-CB 3.87Å
345	L	88.2	Confident	86.4	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.3	168.1	173.5	65.2	0	0	0	110.1	A272 A279 L285 V290 H292 I293 I294 H347	A272-L345 HydrophobicContact CB-CD1 3.47Å; A272-L345 VanDerWaalsContact CB-CD1 3.47Å; A272-L345 VanDerWaalsContact O-CD1 3.23Å; A272-L345 WeakPolarHBondContact O-CD1 3.23Å; A279-L345 HydrophobicContact CB-CD2 4.02Å; L285-L345 HydrophobicContact CD2-CD2 3.68Å; V290-L345 HydrophobicContact CG1-CB 4.05Å; H292-L345 PolarHBondContact O-N 3.46Å; I293-L345 CarbonylContact C-O 3.56Å; I293-L345 WeakPolarHBondContact CA-O 3.34Å; I293-L345 HydrophobicContact CD1-CD2 4.4Å; I293-L345 HydrophobicContact CG1-CB 4.12Å; I293-L345 HydrophobicContact CG2-CB 4.24Å; I293-L345 HydrophobicContact CG2-CD2 4.15Å; I293-L345 HydrophobicContact CG2-CG 4.3Å; I294-L345 PolarHBondContact N-O 3.03Å; L345-H347 HydrophobicContact CG-CB 4.38Å
346	V	91.5	Very high	86.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.2	171.7	-174.1	0	0	0	0	109.3	A270 A272 A273 I294 I334 S355 I358 V359	A270-V346 WeakPolarHBondContact O-CG2 3.33Å; A272-V346 CarbonylContact C-O 3.51Å; A273-V346 WeakPolarHBondContact CA-O 3.41Å; A273-V346 PolarHBondContact N-O 3.09Å; I294-V346 HydrophobicContact CB-CB 4.36Å; I294-V346 HydrophobicContact CB-CG1 4.1Å; I294-V346 HydrophobicContact CB-CG2 4.1Å; I294-V346 HydrophobicContact CD1-CG2 4.02Å; I294-V346 HydrophobicContact CG1-CG2 4.27Å; I294-V346 HydrophobicContact CG2-CG1 4.16Å; I334-V346 HydrophobicContact CD1-CG2 4.3Å; I334-V346 HydrophobicContact CG1-CG2 4.47Å; V346-S355 WeakPolarHBondContact O-CB 3.21Å; V346-I358 HydrophobicContact CG1-CB 4.06Å; V346-I358 HydrophobicContact CG1-CD1 4.2Å; V346-I358 HydrophobicContact CG1-CG2 3.9Å; V346-V359 HydrophobicContact CB-CG2 4.04Å; V346-V359 HydrophobicContact CG1-CG2 4.28Å; V346-V359 HydrophobicContact CG2-CG2 4.29Å
347	H	85.8	Confident	86.9	Confident	2 Å²	2	36 Å²	36	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.1	-175.6	78.9	93.6	0	0	0	113.3	I294 N295 A296 L345	I294-H347 PolarHBondContact O-CD2 3.07Å; I294-H347 PolarHBondContact O-N 3.16Å; N295-H347 WeakPolarHBondContact CB-NE2 3.43Å; N295-H347 VanDerWaalsContact CG-NE2 3.3Å; N295-H347 PolarHBondContact OD1-CE1 2.9Å; A296-H347 WeakPolarHBondContact CB-O 3.49Å; A296-H347 PolarHBondContact N-O 2.94Å; L345-H347 HydrophobicContact CG-CB 4.38Å
348	C	87	Confident	87.4	Confident	1 Å²	1	36 Å²	36	1%	0.007	18%	0.184	C	C	.	.			trans	-136.7	-156.8	167.4	68.6	0	0	0	0	108.9	G274 S275 E276 A296 G351 R354 S355	G274-C348 PolarHBondContact O-N 3.01Å; S275-C348 CarbonylContact C-O 3.58Å; E276-C348 PolarHBondContact N-O 2.9Å; A296-C348 HydrophobicContact CB-CB 4.15Å; C348-G351 PolarHBondContact SG-N 2.99Å; C348-R354 HydrophobicContact CB-CB 4.01Å; C348-S355 PolarHBondContact SG-OG 2.73Å
349	N	86.1	Confident	87.9	Confident	49 Å²	49	31.5 Å²	31.5	26%	0.262	17%	0.168	S	C	.	.	S	Bend	trans	-68.7	-45.3	178.6	-62.2	89.5	0	0	0	112.5	S275 E276 T298 V300 R354	S275-N349 WeakPolarHBondContact CA-O 3.3Å; S275-N349 VanDerWaalsContact CB-O 3.24Å; S275-N349 WeakPolarHBondContact CB-O 3.48Å; E276-N349 PolarHBondContact N-O 3.25Å; T298-N349 PolarHBondContact N-OD1 3.31Å; T298-N349 PolarHBondContact O-ND2 3.31Å; V300-N349 VanDerWaalsContact CG2-ND2 3.26Å; V300-N349 WeakPolarHBondContact CG2-ND2 3.15Å; N349-R354 PolarHBondContact OD1-NH1 3.23Å; N349-R354 PolarHBondContact OD1-NH2 3.37Å
350	A	80.8	Confident	88.4	Confident	45 Å²	45	21.8 Å²	21.8	37%	0.372	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-113.5	-16.2	-172.8	0	0	0	0	0	114.6	I352 R382	A350-I352 VanDerWaalsContact C-N 3.3Å; A350-I352 HydrophobicContact CB-CB 4.42Å; A350-I352 HydrophobicContact CB-CD1 3.97Å; A350-I352 HydrophobicContact CB-CG1 4.05Å; A350-I352 PolarHBondContact O-N 3.37Å; A350-R382 PolarHBondContact O-NH2 3.07Å
351	G	84.4	Confident	89	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	66.8	29.5	-173.5	0	0	0	0	0	113.7	G274 C348 R382	G274-G351 WeakPolarHBondContact O-CA 3.23Å; G274-G351 PolarHBondContact O-N 3.32Å; G274-G351 VanDerWaalsContact O-N 3.09Å; C348-G351 PolarHBondContact SG-N 2.99Å; G351-R382 WeakPolarHBondContact O-CD 3.48Å; G351-R382 PolarHBondContact O-NE 3.41Å
352	I	84.9	Confident	89.6	Confident	65 Å²	65	11.5 Å²	11.5	33%	0.333	7%	0.066	S	C	.	.	S	Bend	trans	-105.6	-48.1	-176.1	-68	174.5	0	0	0	111.3	A350 V356 V384 Q386	A350-I352 VanDerWaalsContact C-N 3.3Å; A350-I352 HydrophobicContact CB-CB 4.42Å; A350-I352 HydrophobicContact CB-CD1 3.97Å; A350-I352 HydrophobicContact CB-CG1 4.05Å; A350-I352 PolarHBondContact O-N 3.37Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.47Å; I352-V384 HydrophobicContact CG1-CG2 4.29Å; I352-Q386 HydrophobicContact CG2-CB 4.06Å; I352-Q386 CarbonylContact O-C 3.53Å; I352-Q386 VanDerWaalsContact O-C 3.28Å; I352-Q386 PolarHBondContact O-N 3.1Å
353	S	92.6	Very high	89.9	Confident	3 Å²	3	11 Å²	11	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	-118.2	-80.7	-168.5	171.5	0	0	0	0	112.8	D317 S355 V356 S357 N388 F391	D317-S353 WeakPolarHBondContact OD1-CB 3.41Å; D317-S353 PolarHBondContact OD1-OG 2.83Å; D317-S353 VanDerWaalsContact OD2-CB 3.27Å; D317-S353 WeakPolarHBondContact OD2-CB 3.43Å; S353-S355 PolarHBondContact O-N 2.93Å; S353-V356 CarbonylContact O-C 3.28Å; S353-V356 WeakPolarHBondContact O-CA 3.49Å; S353-V356 WeakPolarHBondContact O-CB 3.45Å; S353-V356 PolarHBondContact O-N 2.8Å; S353-S357 PolarHBondContact O-N 3.25Å; S353-S357 PolarHBondContact O-OG 3.12Å; S353-N388 PolarHBondContact OG-N 2.71Å; S353-N388 VanDerWaalsContact OG-N 3.11Å; S353-F391 WeakPolarHBondContact OG-CD2 3.48Å
354	R	94.6	Very high	90	Very high	15 Å²	15	9.5 Å²	9.5	6%	0.057	6%	0.055	C	C	.	.	H	α-helix	trans	-45.9	-55.3	-175.8	-71.3	166.4	-78.5	178.9	-5.9	115.6	A296 T298 I315 D317 I323 C348 N349 V356 S357 I358 F391	A296-R354 HydrophobicContact CB-CB 4.26Å; A296-R354 PolarHBondContact O-NH1 2.65Å; A296-R354 VanDerWaalsContact O-NH1 3.16Å; T298-R354 PolarHBondContact OG1-NH1 3.05Å; I315-R354 HydrophobicContact CG2-CG 4.15Å; I315-R354 PolarHBondContact O-NH1 2.79Å; I315-R354 VanDerWaalsContact O-NH1 3.16Å; D317-R354 HydrophobicContact CB-CG 4.35Å; I323-R354 HydrophobicContact CD1-CB 4.39Å; I323-R354 HydrophobicContact CD1-CG 4.46Å; C348-R354 HydrophobicContact CB-CB 4.01Å; N349-R354 PolarHBondContact OD1-NH1 3.23Å; N349-R354 PolarHBondContact OD1-NH2 3.37Å; R354-V356 VanDerWaalsContact C-N 3.31Å; R354-V356 PolarHBondContact O-N 2.98Å; R354-S357 WeakPolarHBondContact O-CB 3.38Å; R354-S357 PolarHBondContact O-N 3.27Å; R354-I358 WeakPolarHBondContact O-CD1 3.1Å; R354-I358 PolarHBondContact O-N 3.19Å; R354-F391 HydrophobicContact CB-CE2 4.48Å; R354-F391 HydrophobicContact CG-CE2 3.63Å; R354-F391 HydrophobicContact CG-CZ 4.2Å
355	S	92.5	Very high	90.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-35.6	-179.4	59.8	0	0	0	0	112.3	V346 C348 S353 V359	V346-S355 WeakPolarHBondContact O-CB 3.21Å; C348-S355 PolarHBondContact SG-OG 2.73Å; S353-S355 PolarHBondContact O-N 2.93Å; S355-V359 WeakPolarHBondContact O-CB 3.33Å; S355-V359 VanDerWaalsContact O-CG2 3.31Å; S355-V359 WeakPolarHBondContact O-CG2 3.32Å; S355-V359 PolarHBondContact O-N 3.25Å; S355-V359 VanDerWaalsContact O-N 3.13Å
356	V	91.6	Very high	90	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.9	-42.3	175.6	172.1	0	0	0	0	110.1	A273 I352 S353 R354 I358 V359 M360 V378 A385 P387	A273-V356 HydrophobicContact CB-CG2 3.64Å; I352-V356 VanDerWaalsContact O-CG2 3.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.47Å; S353-V356 CarbonylContact O-C 3.28Å; S353-V356 WeakPolarHBondContact O-CA 3.49Å; S353-V356 WeakPolarHBondContact O-CB 3.45Å; S353-V356 PolarHBondContact O-N 2.8Å; R354-V356 VanDerWaalsContact C-N 3.31Å; R354-V356 PolarHBondContact O-N 2.98Å; V356-I358 PolarHBondContact O-N 3Å; V356-V359 WeakPolarHBondContact O-CB 3.33Å; V356-V359 PolarHBondContact O-N 3.08Å; V356-M360 HydrophobicContact CG1-CG 4.23Å; V356-M360 HydrophobicContact CG1-SD 3.84Å; V356-M360 WeakPolarHBondContact O-CB 3.26Å; V356-M360 VanDerWaalsContact O-CG 3.29Å; V356-M360 WeakPolarHBondContact O-CG 3.37Å; V356-M360 PolarHBondContact O-N 2.84Å; V356-V378 HydrophobicContact CG1-CG1 4Å; V356-V378 HydrophobicContact CG2-CG1 4.37Å; V356-A385 HydrophobicContact CG1-CB 3.99Å; V356-A385 HydrophobicContact CG2-CB 3.85Å; V356-P387 HydrophobicContact CB-CG 4.27Å; V356-P387 HydrophobicContact CG1-CG 3.65Å
357	S	96.2	Very high	89.4	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-44.6	177.7	-60	0	0	0	0	112.7	S353 R354 V359 M360 A361 P387 F391	S353-S357 PolarHBondContact O-N 3.25Å; S353-S357 PolarHBondContact O-OG 3.12Å; R354-S357 WeakPolarHBondContact O-CB 3.38Å; R354-S357 PolarHBondContact O-N 3.27Å; S357-V359 VanDerWaalsContact C-N 3.35Å; S357-V359 PolarHBondContact O-N 3.28Å; S357-M360 PolarHBondContact O-N 2.78Å; S357-A361 PolarHBondContact O-N 3.03Å; S357-P387 WeakPolarHBondContact OG-CB 3.43Å; S357-F391 WeakPolarHBondContact OG-CB 3.39Å; S357-F391 WeakPolarHBondContact OG-CD2 3.33Å
358	I	95.9	Very high	89.2	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177.5	-66.7	153	0	0	0	110.9	I294 A296 I313 I323 C330 V346 R354 V356 M360 A361 Y362	I294-I358 HydrophobicContact CD1-CG2 4.41Å; A296-I358 HydrophobicContact CB-CD1 4Å; I313-I358 HydrophobicContact CD1-CD1 3.24Å; I313-I358 HydrophobicContact CD1-CG1 4.25Å; I323-I358 HydrophobicContact CD1-CG1 4.38Å; C330-I358 HydrophobicContact CB-CG2 3.58Å; V346-I358 HydrophobicContact CG1-CB 4.06Å; V346-I358 HydrophobicContact CG1-CD1 4.2Å; V346-I358 HydrophobicContact CG1-CG2 3.9Å; R354-I358 WeakPolarHBondContact O-CD1 3.1Å; R354-I358 PolarHBondContact O-N 3.19Å; V356-I358 PolarHBondContact O-N 3Å; I358-M360 VanDerWaalsContact C-N 3.33Å; I358-M360 PolarHBondContact O-N 3.24Å; I358-A361 PolarHBondContact O-N 3.19Å; I358-Y362 PolarHBondContact O-N 2.98Å; I358-Y362 VanDerWaalsContact O-N 3.12Å
359	V	93.8	Very high	89	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-44.7	176	159.8	0	0	0	0	111.6	A270 I271 V346 S355 V356 S357 A361 Y362 L363 V378	A270-V359 WeakPolarHBondContact O-CG2 3.38Å; I271-V359 HydrophobicContact CB-CG1 4.2Å; I271-V359 HydrophobicContact CB-CG2 4.35Å; I271-V359 HydrophobicContact CD1-CG1 3.2Å; I271-V359 HydrophobicContact CG1-CB 4.26Å; I271-V359 HydrophobicContact CG1-CG1 3.34Å; I271-V359 HydrophobicContact CG1-CG2 3.91Å; I271-V359 HydrophobicContact CG2-CG1 3.89Å; I271-V359 HydrophobicContact CG2-CG2 4.18Å; V346-V359 HydrophobicContact CB-CG2 4.04Å; V346-V359 HydrophobicContact CG1-CG2 4.28Å; V346-V359 HydrophobicContact CG2-CG2 4.29Å; S355-V359 WeakPolarHBondContact O-CB 3.33Å; S355-V359 VanDerWaalsContact O-CG2 3.31Å; S355-V359 WeakPolarHBondContact O-CG2 3.32Å; S355-V359 PolarHBondContact O-N 3.25Å; S355-V359 VanDerWaalsContact O-N 3.13Å; V356-V359 WeakPolarHBondContact O-CB 3.33Å; V356-V359 PolarHBondContact O-N 3.08Å; S357-V359 VanDerWaalsContact C-N 3.35Å; S357-V359 PolarHBondContact O-N 3.28Å; V359-A361 VanDerWaalsContact C-N 3.33Å; V359-A361 PolarHBondContact O-N 2.88Å; V359-Y362 WeakPolarHBondContact O-CB 3.48Å; V359-Y362 PolarHBondContact O-N 3.43Å; V359-L363 HydrophobicContact CG1-CD1 4.23Å; V359-L363 WeakPolarHBondContact O-CG 3.23Å; V359-L363 PolarHBondContact O-N 3.27Å; V359-V378 HydrophobicContact CG1-CG2 3.72Å
360	M	93.1	Very high	88.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-40.4	178	-74.6	176.9	61.8	0	0	111.5	V356 S357 I358 Y362 L363 I364 V371 A374 L375 V378 P387 L392 L395	V356-M360 HydrophobicContact CG1-CG 4.23Å; V356-M360 HydrophobicContact CG1-SD 3.84Å; V356-M360 WeakPolarHBondContact O-CB 3.26Å; V356-M360 VanDerWaalsContact O-CG 3.29Å; V356-M360 WeakPolarHBondContact O-CG 3.37Å; V356-M360 PolarHBondContact O-N 2.84Å; S357-M360 PolarHBondContact O-N 2.78Å; I358-M360 VanDerWaalsContact C-N 3.33Å; I358-M360 PolarHBondContact O-N 3.24Å; M360-Y362 VanDerWaalsContact C-N 3.27Å; M360-Y362 PolarHBondContact O-N 2.8Å; M360-L363 PolarHBondContact O-N 2.78Å; M360-I364 WeakPolarHBondContact O-CD1 3.23Å; M360-I364 WeakPolarHBondContact O-CG1 2.92Å; M360-I364 PolarHBondContact O-N 2.86Å; M360-V371 HydrophobicContact CE-CG1 3.98Å; M360-V371 WeakPolarHBondContact CE-O 3.45Å; M360-A374 HydrophobicContact CB-CB 4.34Å; M360-A374 HydrophobicContact CE-CB 4.36Å; M360-A374 HydrophobicContact CG-CB 4.27Å; M360-L375 HydrophobicContact CE-CB 3.57Å; M360-L375 HydrophobicContact CE-CD1 4.32Å; M360-L375 HydrophobicContact CE-CG 4.45Å; M360-L375 HydrophobicContact SD-CB 4.08Å; M360-L375 HydrophobicContact SD-CD1 3.82Å; M360-V378 HydrophobicContact CG-CG2 4.11Å; M360-P387 HydrophobicContact SD-CG 3.8Å; M360-L392 HydrophobicContact CE-CD2 4.46Å; M360-L395 HydrophobicContact CB-CD1 4.19Å; M360-L395 HydrophobicContact CB-CD2 4Å; M360-L395 HydrophobicContact CE-CD1 3.87Å; M360-L395 HydrophobicContact SD-CD1 4.12Å
361	A	96.2	Very high	89.1	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-37.9	175.4	0	0	0	0	0	112.2	F327 S357 I358 V359 K365 L395 Y398	F327-A361 HydrophobicContact CB-CB 3.89Å; F327-A361 HydrophobicContact CD1-CB 3.5Å; F327-A361 VanDerWaalsContact CD1-CB 3.5Å; F327-A361 HydrophobicContact CD2-CB 3.59Å; F327-A361 HydrophobicContact CE1-CB 3.81Å; F327-A361 HydrophobicContact CE2-CB 3.92Å; F327-A361 HydrophobicContact CG-CB 3.38Å; F327-A361 HydrophobicContact CZ-CB 4.02Å; S357-A361 PolarHBondContact O-N 3.03Å; I358-A361 PolarHBondContact O-N 3.19Å; V359-A361 VanDerWaalsContact C-N 3.33Å; V359-A361 PolarHBondContact O-N 2.88Å; A361-K365 PolarHBondContact O-N 3.15Å; A361-K365 VanDerWaalsContact O-N 3.12Å; A361-L395 HydrophobicContact CB-CD2 3.97Å; A361-Y398 HydrophobicContact CB-CD1 4.13Å; A361-Y398 HydrophobicContact CB-CE1 4.03Å; A361-Y398 WeakPolarHBondContact O-CE1 3.38Å
362	Y	93.3	Very high	89.1	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-48.7	173.2	-177.4	-86.8	0	0	0	112	N331 I334 N335 R338 I358 V359 M360 I364 K365 Y366	N331-Y362 WeakPolarHBondContact OD1-CA 3.44Å; N331-Y362 VanDerWaalsContact OD1-CB 3.23Å; N331-Y362 WeakPolarHBondContact OD1-CB 3.33Å; N331-Y362 PolarHBondContact OD1-N 3.2Å; I334-Y362 HydrophobicContact CB-CD2 3.75Å; I334-Y362 HydrophobicContact CB-CE2 3.73Å; I334-Y362 HydrophobicContact CD1-CD2 3.73Å; I334-Y362 HydrophobicContact CD1-CG 3.97Å; I334-Y362 HydrophobicContact CG1-CD2 4.36Å; I334-Y362 HydrophobicContact CG2-CD2 3.63Å; I334-Y362 HydrophobicContact CG2-CE1 4.34Å; I334-Y362 HydrophobicContact CG2-CE2 3.33Å; I334-Y362 HydrophobicContact CG2-CG 4.24Å; N335-Y362 PolarHBondContact OD1-OH 3.5Å; R338-Y362 PolarHBondContact NH1-OH 3.35Å; I358-Y362 PolarHBondContact O-N 2.98Å; I358-Y362 VanDerWaalsContact O-N 3.12Å; V359-Y362 WeakPolarHBondContact O-CB 3.48Å; V359-Y362 PolarHBondContact O-N 3.43Å; M360-Y362 VanDerWaalsContact C-N 3.27Å; M360-Y362 PolarHBondContact O-N 2.8Å; Y362-I364 VanDerWaalsContact C-N 3.32Å; Y362-I364 PolarHBondContact O-N 3.15Å; Y362-K365 PolarHBondContact O-N 2.93Å; Y362-Y366 AromaticContact CD2-CD2 3.62Å; Y362-Y366 HydrophobicContact CD2-CD2 3.62Å; Y362-Y366 HydrophobicContact CD2-CE2 4.13Å; Y362-Y366 AromaticContact CE2-CD2 3.42Å; Y362-Y366 HydrophobicContact CE2-CD2 3.42Å; Y362-Y366 VanDerWaalsContact CE2-CD2 3.42Å; Y362-Y366 AromaticContact CE2-CE2 3.95Å; Y362-Y366 HydrophobicContact CE2-CE2 3.95Å; Y362-Y366 HydrophobicContact CE2-CG 4.18Å; Y362-Y366 HydrophobicContact CG-CD2 4.27Å; Y362-Y366 AromaticContact CZ-CD2 3.92Å; Y362-Y366 PolarHBondContact O-N 3.2Å
363	L	87	Confident	88.7	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-38.8	178.7	-66.2	173.9	0	0	0	112.3	L268 I271 V359 M360 E367 E368 M369 A374 Y377 V378	L268-L363 HydrophobicContact CD2-CD2 4.22Å; I271-L363 HydrophobicContact CD1-CD1 4.28Å; V359-L363 HydrophobicContact CG1-CD1 4.23Å; V359-L363 WeakPolarHBondContact O-CG 3.23Å; V359-L363 PolarHBondContact O-N 3.27Å; M360-L363 PolarHBondContact O-N 2.78Å; L363-E367 HydrophobicContact CD2-CB 4.4Å; L363-E367 HydrophobicContact CD2-CG 3.77Å; L363-E367 CarbonylContact O-C 3.5Å; L363-E367 WeakPolarHBondContact O-CA 3.37Å; L363-E367 VanDerWaalsContact O-CB 3.29Å; L363-E367 WeakPolarHBondContact O-CB 3.49Å; L363-E367 PolarHBondContact O-N 2.79Å; L363-E368 PolarHBondContact O-N 3.46Å; L363-M369 HydrophobicContact CB-SD 4.12Å; L363-M369 HydrophobicContact CD1-SD 4.41Å; L363-M369 HydrophobicContact CD2-CE 4.49Å; L363-M369 HydrophobicContact CD2-SD 4.44Å; L363-M369 PolarHBondContact O-N 3.01Å; L363-A374 HydrophobicContact CB-CB 4.03Å; L363-A374 HydrophobicContact CD1-CB 4.27Å; L363-Y377 HydrophobicContact CD1-CD1 3.78Å; L363-Y377 HydrophobicContact CD1-CE1 4.41Å; L363-Y377 HydrophobicContact CD2-CE1 4.47Å; L363-V378 HydrophobicContact CD1-CG2 3.74Å
364	I	87.1	Confident	88.2	Confident	6 Å²	6	33 Å²	33	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-44.5	177	-69.6	159.7	0	0	0	110.6	M360 Y362 E368 M369 V371 A374 L395 Y398 E399	M360-I364 WeakPolarHBondContact O-CD1 3.23Å; M360-I364 WeakPolarHBondContact O-CG1 2.92Å; M360-I364 PolarHBondContact O-N 2.86Å; Y362-I364 VanDerWaalsContact C-N 3.32Å; Y362-I364 PolarHBondContact O-N 3.15Å; I364-E368 WeakPolarHBondContact O-CA 3.31Å; I364-M369 WeakPolarHBondContact CA-O 2.87Å; I364-M369 WeakPolarHBondContact CG1-O 3.4Å; I364-V371 HydrophobicContact CD1-CB 4.47Å; I364-V371 HydrophobicContact CD1-CG2 3.54Å; I364-V371 HydrophobicContact CG1-CG2 4.39Å; I364-A374 HydrophobicContact CG1-CB 4.17Å; I364-L395 HydrophobicContact CD1-CB 4.41Å; I364-L395 HydrophobicContact CD1-CD2 3.83Å; I364-Y398 HydrophobicContact CG2-CD1 4.34Å; I364-E399 HydrophobicContact CG2-CB 3.95Å; I364-E399 HydrophobicContact CG2-CG 4.34Å
365	K	89.9	Confident	87.7	Confident	46 Å²	46	34 Å²	34	20%	0.2	17%	0.165	C	C	.	.	H	α-helix	trans	-77.4	-47.2	-175.7	178.4	163.9	175.5	172	0	114.2	E328 A361 Y362 Y398 V402	E328-K365 IonicContact OE1-NZ 3.29Å; E328-K365 PolarHBondContact OE1-NZ 2.99Å; E328-K365 IonicContact OE2-NZ 3.84Å; E328-K365 PolarHBondContact OE2-NZ 3.48Å; A361-K365 PolarHBondContact O-N 3.15Å; A361-K365 VanDerWaalsContact O-N 3.12Å; Y362-K365 PolarHBondContact O-N 2.93Å; K365-Y398 HydrophobicContact CB-CE1 4.15Å; K365-Y398 WeakPolarHBondContact CD-OH 3.49Å; K365-V402 HydrophobicContact CB-CG1 4.47Å; K365-V402 HydrophobicContact CB-CG2 4.37Å; K365-V402 HydrophobicContact CG-CG1 4.43Å
366	Y	85.3	Confident	87	Confident	75 Å²	75	39.3 Å²	39.3	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-102.9	-18.6	-169.6	-70.9	-68.9	0	0	0	114.3	N331 N335 Y362	N331-Y366 HydrophobicContact CB-CE2 3.83Å; N335-Y366 WeakPolarHBondContact ND2-CE1 3.47Å; N335-Y366 WeakPolarHBondContact ND2-CE2 3.4Å; N335-Y366 PolarHBondContact ND2-OH 3.47Å; N335-Y366 VanDerWaalsContact ND2-OH 3.08Å; Y362-Y366 AromaticContact CD2-CD2 3.62Å; Y362-Y366 HydrophobicContact CD2-CD2 3.62Å; Y362-Y366 HydrophobicContact CD2-CE2 4.13Å; Y362-Y366 AromaticContact CE2-CD2 3.42Å; Y362-Y366 HydrophobicContact CE2-CD2 3.42Å; Y362-Y366 VanDerWaalsContact CE2-CD2 3.42Å; Y362-Y366 AromaticContact CE2-CE2 3.95Å; Y362-Y366 HydrophobicContact CE2-CE2 3.95Å; Y362-Y366 HydrophobicContact CE2-CG 4.18Å; Y362-Y366 HydrophobicContact CG-CD2 4.27Å; Y362-Y366 AromaticContact CZ-CD2 3.92Å; Y362-Y366 PolarHBondContact O-N 3.2Å
367	E	78.4	Confident	86.2	Confident	52 Å²	52	42.8 Å²	42.8	24%	0.243	20%	0.199	C	C	.	.	S	Bend	trans	-110.4	10.6	175.2	-48.9	-57.9	143.3	0	0	111.8	I266 R338 L363 M369	I266-E367 VanDerWaalsContact CD1-CD 3.49Å; I266-E367 WeakPolarHBondContact CD1-OE1 3.3Å; I266-E367 WeakPolarHBondContact CD1-OE2 3.2Å; R338-E367 IonicContact NH1-OE1 2.68Å; L363-E367 HydrophobicContact CD2-CB 4.4Å; L363-E367 HydrophobicContact CD2-CG 3.77Å; L363-E367 CarbonylContact O-C 3.5Å; L363-E367 WeakPolarHBondContact O-CA 3.37Å; L363-E367 VanDerWaalsContact O-CB 3.29Å; L363-E367 WeakPolarHBondContact O-CB 3.49Å; L363-E367 PolarHBondContact O-N 2.79Å; E367-M369 HydrophobicContact CB-CE 4.03Å; E367-M369 HydrophobicContact CB-CG 4.03Å; E367-M369 WeakPolarHBondContact O-CG 3.29Å; E367-M369 PolarHBondContact O-N 3.26Å
368	E	82.2	Confident	85.4	Confident	171 Å²	171	42.8 Å²	42.8	80%	0.799	20%	0.199	S	C	*	.			trans	51.1	26.1	177.6	-60.4	179.8	-159.3	0	0	114.1	L363 I364	L363-E368 PolarHBondContact O-N 3.46Å; I364-E368 WeakPolarHBondContact O-CA 3.31Å
369	M	82.3	Confident	84.6	Confident	43 Å²	43	46.8 Å²	46.8	21%	0.212	22%	0.216	C	C	.	.			trans	-76.6	143.6	-177	-66.7	-167.9	-175.8	0	0	111.3	L363 I364 E367 A374 Y377	L363-M369 HydrophobicContact CB-SD 4.12Å; L363-M369 HydrophobicContact CD1-SD 4.41Å; L363-M369 HydrophobicContact CD2-CE 4.49Å; L363-M369 HydrophobicContact CD2-SD 4.44Å; L363-M369 PolarHBondContact O-N 3.01Å; I364-M369 WeakPolarHBondContact CA-O 2.87Å; I364-M369 WeakPolarHBondContact CG1-O 3.4Å; E367-M369 HydrophobicContact CB-CE 4.03Å; E367-M369 HydrophobicContact CB-CG 4.03Å; E367-M369 WeakPolarHBondContact O-CG 3.29Å; E367-M369 PolarHBondContact O-N 3.26Å; M369-A374 HydrophobicContact CB-CB 4.09Å; M369-A374 HydrophobicContact SD-CB 4.49Å; M369-Y377 HydrophobicContact CE-CD2 4.11Å; M369-Y377 HydrophobicContact CE-CG 4.33Å; M369-Y377 HydrophobicContact SD-CG 4.43Å
370	S	82.9	Confident	83.5	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	23%	0.23	C	C	.	.			trans	-65.9	157	162.6	72.6	0	0	0	0	111.2	K372 S373 A374 E399	S370-K372 PolarHBondContact O-N 3.44Å; S370-K372 VanDerWaalsContact O-N 3.16Å; S370-S373 PolarHBondContact O-N 3.49Å; S370-S373 WeakPolarHBondContact OG-CB 3.44Å; S370-S373 PolarHBondContact OG-N 3.48Å; S370-S373 PolarHBondContact OG-OG 3.27Å; S370-A374 WeakPolarHBondContact O-CB 3.49Å; S370-A374 PolarHBondContact O-N 2.88Å; S370-E399 WeakPolarHBondContact CA-OE1 3.09Å; S370-E399 WeakPolarHBondContact CB-OE1 3.35Å
371	V	86.1	Confident	82.4	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-52.4	-40.6	173.4	167.4	0	0	0	0	111.1	M360 I364 L375 L392 L395 L396 E399	M360-V371 HydrophobicContact CE-CG1 3.98Å; M360-V371 WeakPolarHBondContact CE-O 3.45Å; I364-V371 HydrophobicContact CD1-CB 4.47Å; I364-V371 HydrophobicContact CD1-CG2 3.54Å; I364-V371 HydrophobicContact CG1-CG2 4.39Å; V371-L375 WeakPolarHBondContact O-CB 3.29Å; V371-L375 PolarHBondContact O-N 2.97Å; V371-L392 HydrophobicContact CG1-CD2 4.43Å; V371-L395 HydrophobicContact CG1-CB 4.48Å; V371-L395 HydrophobicContact CG2-CB 3.94Å; V371-L395 WeakPolarHBondContact CG2-O 3.16Å; V371-L396 HydrophobicContact CB-CD2 3.98Å; V371-L396 HydrophobicContact CG1-CD2 4.23Å; V371-L396 HydrophobicContact CG1-CG 4.43Å; V371-L396 HydrophobicContact CG2-CD2 4.01Å; V371-L396 HydrophobicContact CG2-CG 4.3Å; V371-E399 WeakPolarHBondContact CB-OE2 3.47Å; V371-E399 HydrophobicContact CG2-CB 4.01Å; V371-E399 WeakPolarHBondContact CG2-OE2 3.13Å; V371-E399 PolarHBondContact N-OE2 3.02Å
372	K	85.1	Confident	81.3	Confident	177 Å²	177	56 Å²	56	77%	0.77	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-47	177.3	-175.2	-179.8	177.8	-177.8	0	111.8	S370 Y376	S370-K372 PolarHBondContact O-N 3.44Å; S370-K372 VanDerWaalsContact O-N 3.16Å; K372-Y376 VanDerWaalsContact O-CB 3.26Å; K372-Y376 WeakPolarHBondContact O-CB 3.46Å; K372-Y376 PolarHBondContact O-N 2.95Å; K372-Y376 VanDerWaalsContact O-N 3.09Å
373	S	76.6	Confident	80.5	Confident	59 Å²	59	60.9 Å²	60.9	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-44.4	178.6	-59.8	0	0	0	0	111.4	S370 Y376 Y377	S370-S373 PolarHBondContact O-N 3.49Å; S370-S373 WeakPolarHBondContact OG-CB 3.44Å; S370-S373 PolarHBondContact OG-N 3.48Å; S370-S373 PolarHBondContact OG-OG 3.27Å; S373-Y376 PolarHBondContact O-N 3.19Å; S373-Y377 WeakPolarHBondContact O-CB 3.24Å; S373-Y377 PolarHBondContact O-N 3.24Å
374	A	81.9	Confident	80	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-47.1	178	0	0	0	0	0	111.6	M360 L363 I364 M369 S370 Y376 Y377 V378	M360-A374 HydrophobicContact CB-CB 4.34Å; M360-A374 HydrophobicContact CE-CB 4.36Å; M360-A374 HydrophobicContact CG-CB 4.27Å; L363-A374 HydrophobicContact CB-CB 4.03Å; L363-A374 HydrophobicContact CD1-CB 4.27Å; I364-A374 HydrophobicContact CG1-CB 4.17Å; M369-A374 HydrophobicContact CB-CB 4.09Å; M369-A374 HydrophobicContact SD-CB 4.49Å; S370-A374 WeakPolarHBondContact O-CB 3.49Å; S370-A374 PolarHBondContact O-N 2.88Å; A374-Y376 VanDerWaalsContact C-N 3.26Å; A374-Y376 PolarHBondContact O-N 3.45Å; A374-Y377 PolarHBondContact O-N 2.9Å; A374-V378 WeakPolarHBondContact O-CG2 3.35Å; A374-V378 PolarHBondContact O-N 3.27Å
375	L	84.1	Confident	79.9	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-41.6	177.6	-179.5	56.9	0	0	0	111.2	M360 V371 V378 K379 P387 L392	M360-L375 HydrophobicContact CE-CB 3.57Å; M360-L375 HydrophobicContact CE-CD1 4.32Å; M360-L375 HydrophobicContact CE-CG 4.45Å; M360-L375 HydrophobicContact SD-CB 4.08Å; M360-L375 HydrophobicContact SD-CD1 3.82Å; V371-L375 WeakPolarHBondContact O-CB 3.29Å; V371-L375 PolarHBondContact O-N 2.97Å; L375-V378 PolarHBondContact O-N 3.32Å; L375-K379 HydrophobicContact CD1-CD 4.5Å; L375-K379 HydrophobicContact CD1-CG 4.35Å; L375-K379 HydrophobicContact CG-CD 4.42Å; L375-K379 WeakPolarHBondContact O-CB 3.42Å; L375-K379 WeakPolarHBondContact O-CG 3.29Å; L375-K379 PolarHBondContact O-N 2.83Å; L375-P387 HydrophobicContact CD1-CG 4.49Å; L375-L392 HydrophobicContact CD2-CD2 4.47Å
376	Y	78.4	Confident	79.8	Confident	113 Å²	113	68.6 Å²	68.6	44%	0.443	34%	0.339	S	S	.	.	H	α-helix	trans	-68	-42.5	-179.3	-179.8	-107	0	0	0	112.2	S225 G226 K372 S373 A374 V378 K379 A380	S225-Y376 WeakPolarHBondContact CA-OH 3.24Å; S225-Y376 VanDerWaalsContact CB-OH 3.24Å; S225-Y376 WeakPolarHBondContact CB-OH 3.32Å; G226-Y376 PolarHBondContact N-OH 3.18Å; G226-Y376 VanDerWaalsContact N-OH 3.16Å; K372-Y376 VanDerWaalsContact O-CB 3.26Å; K372-Y376 WeakPolarHBondContact O-CB 3.46Å; K372-Y376 PolarHBondContact O-N 2.95Å; K372-Y376 VanDerWaalsContact O-N 3.09Å; S373-Y376 PolarHBondContact O-N 3.19Å; A374-Y376 VanDerWaalsContact C-N 3.26Å; A374-Y376 PolarHBondContact O-N 3.45Å; Y376-V378 PolarHBondContact O-N 3.5Å; Y376-K379 PolarHBondContact O-N 3.43Å; Y376-A380 PolarHBondContact O-N 2.94Å
377	Y	75.3	Confident	80.2	Confident	72 Å²	72	65.1 Å²	65.1	28%	0.282	33%	0.326	S	S	.	.	H	α-helix	trans	-56.8	-49.2	172.5	-177.8	-88.2	0	0	0	111.2	L268 I271 L363 M369 S373 A374 K379 A380 I381	L268-Y377 HydrophobicContact CD2-CE1 3.71Å; I271-Y377 HydrophobicContact CD1-CE1 4.17Å; L363-Y377 HydrophobicContact CD1-CD1 3.78Å; L363-Y377 HydrophobicContact CD1-CE1 4.41Å; L363-Y377 HydrophobicContact CD2-CE1 4.47Å; M369-Y377 HydrophobicContact CE-CD2 4.11Å; M369-Y377 HydrophobicContact CE-CG 4.33Å; M369-Y377 HydrophobicContact SD-CG 4.43Å; S373-Y377 WeakPolarHBondContact O-CB 3.24Å; S373-Y377 PolarHBondContact O-N 3.24Å; A374-Y377 PolarHBondContact O-N 2.9Å; Y377-K379 PolarHBondContact O-N 3.28Å; Y377-A380 WeakPolarHBondContact O-CB 3.47Å; Y377-A380 PolarHBondContact O-N 3.03Å; Y377-I381 HydrophobicContact CD1-CD1 4.15Å; Y377-I381 HydrophobicContact CE1-CD1 3.59Å
378	V	77.6	Confident	81.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-38	179.2	-178.5	0	0	0	0	111.6	I271 V356 V359 M360 L363 A374 L375 Y376 A380 I381 R382 A385	I271-V378 HydrophobicContact CD1-CG2 4.38Å; I271-V378 HydrophobicContact CG2-CG1 4.47Å; V356-V378 HydrophobicContact CG1-CG1 4Å; V356-V378 HydrophobicContact CG2-CG1 4.37Å; V359-V378 HydrophobicContact CG1-CG2 3.72Å; M360-V378 HydrophobicContact CG-CG2 4.11Å; L363-V378 HydrophobicContact CD1-CG2 3.74Å; A374-V378 WeakPolarHBondContact O-CG2 3.35Å; A374-V378 PolarHBondContact O-N 3.27Å; L375-V378 PolarHBondContact O-N 3.32Å; Y376-V378 PolarHBondContact O-N 3.5Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.15Å; V378-I381 PolarHBondContact O-N 3.34Å; V378-R382 PolarHBondContact O-N 3.42Å; V378-A385 HydrophobicContact CG1-CB 3.85Å
379	K	80.3	Confident	81.8	Confident	85 Å²	85	61.6 Å²	61.6	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-31.5	176.5	-84.8	-171.4	168.7	-167.3	0	113.7	L375 Y376 Y377 I381 R382 P383 A385	L375-K379 HydrophobicContact CD1-CD 4.5Å; L375-K379 HydrophobicContact CD1-CG 4.35Å; L375-K379 HydrophobicContact CG-CD 4.42Å; L375-K379 WeakPolarHBondContact O-CB 3.42Å; L375-K379 WeakPolarHBondContact O-CG 3.29Å; L375-K379 PolarHBondContact O-N 2.83Å; Y376-K379 PolarHBondContact O-N 3.43Å; Y377-K379 PolarHBondContact O-N 3.28Å; K379-I381 VanDerWaalsContact C-N 3.26Å; K379-I381 PolarHBondContact O-N 3.29Å; K379-R382 WeakPolarHBondContact CA-O 3.45Å; K379-R382 CarbonylContact O-C 3.29Å; K379-R382 VanDerWaalsContact O-C 3.31Å; K379-P383 VanDerWaalsContact O-CA 3.29Å; K379-P383 WeakPolarHBondContact O-CA 3.37Å; K379-A385 WeakPolarHBondContact CE-O 3.46Å; K379-A385 HydrophobicContact CG-CB 4.05Å
380	A	70.3	Confident	82.5	Confident	35 Å²	35	60 Å²	60	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-36.8	175.8	0	0	0	0	0	111.6	Y376 Y377 V378	Y376-A380 PolarHBondContact O-N 2.94Å; Y377-A380 WeakPolarHBondContact O-CB 3.47Å; Y377-A380 PolarHBondContact O-N 3.03Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.15Å
381	I	71	Confident	83.3	Confident	96 Å²	96	58.7 Å²	58.7	49%	0.492	30%	0.299	S	S	.	.	H	α-helix	trans	-84.3	-40.5	178.5	-58.1	167.7	0	0	0	111	Y377 V378 K379	Y377-I381 HydrophobicContact CD1-CD1 4.15Å; Y377-I381 HydrophobicContact CE1-CD1 3.59Å; V378-I381 PolarHBondContact O-N 3.34Å; K379-I381 VanDerWaalsContact C-N 3.26Å; K379-I381 PolarHBondContact O-N 3.29Å
382	R	72.3	Confident	83.8	Confident	66 Å²	66	60.1 Å²	60.1	25%	0.249	31%	0.306	C	S	.	.			trans	-131.4	92.3	-178.8	-173	169.1	-175.4	88.5	-3.7	110.9	A273 A350 G351 V378 K379 V384 A385	A273-R382 WeakPolarHBondContact O-CD 3.28Å; A273-R382 PolarHBondContact O-NE 3.27Å; A273-R382 PolarHBondContact O-NH1 2.85Å; A273-R382 VanDerWaalsContact O-NH1 3.15Å; A350-R382 PolarHBondContact O-NH2 3.07Å; G351-R382 WeakPolarHBondContact O-CD 3.48Å; G351-R382 PolarHBondContact O-NE 3.41Å; V378-R382 PolarHBondContact O-N 3.42Å; K379-R382 WeakPolarHBondContact CA-O 3.45Å; K379-R382 CarbonylContact O-C 3.29Å; K379-R382 VanDerWaalsContact O-C 3.31Å; R382-V384 HydrophobicContact CG-CG2 3.79Å; R382-V384 PolarHBondContact O-N 2.67Å; R382-A385 WeakPolarHBondContact O-CB 3.28Å; R382-A385 PolarHBondContact O-N 3.1Å
383	P	75.4	Confident	84.4	Confident	105 Å²	105	56.9 Å²	56.9	68%	0.682	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.3	-173.7	-29.9	36.6	0	0	0	115.7	K379 A385	K379-P383 VanDerWaalsContact O-CA 3.29Å; K379-P383 WeakPolarHBondContact O-CA 3.37Å; P383-A385 VanDerWaalsContact C-N 3.26Å; P383-A385 PolarHBondContact O-N 3.42Å
384	V	78.5	Confident	85.5	Confident	82 Å²	82	55.2 Å²	55.2	50%	0.497	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1	178.4	-59.4	0	0	0	0	113.9	I352 R382 Q386	I352-V384 HydrophobicContact CG1-CG2 4.29Å; R382-V384 HydrophobicContact CG-CG2 3.79Å; R382-V384 PolarHBondContact O-N 2.67Å; V384-Q386 PolarHBondContact O-N 3.04Å
385	A	83.8	Confident	86.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.			trans	-60.8	119	-180	0	0	0	0	0	111.2	V356 V378 K379 R382 P383	V356-A385 HydrophobicContact CG1-CB 3.99Å; V356-A385 HydrophobicContact CG2-CB 3.85Å; V378-A385 HydrophobicContact CG1-CB 3.85Å; K379-A385 WeakPolarHBondContact CE-O 3.46Å; K379-A385 HydrophobicContact CG-CB 4.05Å; R382-A385 WeakPolarHBondContact O-CB 3.28Å; R382-A385 PolarHBondContact O-N 3.1Å; P383-A385 VanDerWaalsContact C-N 3.26Å; P383-A385 PolarHBondContact O-N 3.42Å
386	Q	88.5	Confident	86.9	Confident	134 Å²	134	57.3 Å²	57.3	63%	0.626	29%	0.293	S	S	*	.			trans	-158.1	84.4	-176.4	-171.4	172.7	10	0	0	109.8	I352 V384	I352-Q386 HydrophobicContact CG2-CB 4.06Å; I352-Q386 CarbonylContact O-C 3.53Å; I352-Q386 VanDerWaalsContact O-C 3.28Å; I352-Q386 PolarHBondContact O-N 3.1Å; V384-Q386 PolarHBondContact O-N 3.04Å
387	P	93.6	Very high	87.8	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.019	29%	0.292	C	S	.	.			trans	-51.9	144.2	168.7	-25.8	36.6	0	0	0	111.4	V356 S357 M360 L375 F391 L392	V356-P387 HydrophobicContact CB-CG 4.27Å; V356-P387 HydrophobicContact CG1-CG 3.65Å; S357-P387 WeakPolarHBondContact OG-CB 3.43Å; M360-P387 HydrophobicContact SD-CG 3.8Å; L375-P387 HydrophobicContact CD1-CG 4.49Å; P387-F391 HydrophobicContact CB-CB 4.36Å; P387-L392 HydrophobicContact CB-CD2 4.18Å; P387-L392 HydrophobicContact CB-CG 4.05Å; P387-L392 HydrophobicContact CG-CD2 4.33Å
388	N	96.7	Very high	88.8	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.139	28%	0.279	C	S	.	.			trans	-64.2	159.7	170.9	76.4	57.4	0	0	0	110.4	D317 P319 S353 G390 F391 L392	D317-N388 PolarHBondContact OD1-ND2 3.2Å; D317-N388 VanDerWaalsContact OD1-ND2 3.07Å; P319-N388 WeakPolarHBondContact CA-OD1 3.48Å; P319-N388 HydrophobicContact CG-CB 4.35Å; S353-N388 PolarHBondContact OG-N 2.71Å; S353-N388 VanDerWaalsContact OG-N 3.11Å; N388-G390 VanDerWaalsContact C-N 3.29Å; N388-G390 PolarHBondContact O-N 3.2Å; N388-G390 PolarHBondContact OD1-N 2.74Å; N388-F391 WeakPolarHBondContact ND2-CD2 3.44Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.26Å; N388-F391 WeakPolarHBondContact ND2-CG 3.47Å; N388-F391 WeakPolarHBondContact ND2-CZ 3.24Å; N388-F391 PolarHBondContact O-N 3.2Å; N388-F391 VanDerWaalsContact O-N 3.15Å; N388-F391 PolarHBondContact OD1-N 3.25Å; N388-L392 PolarHBondContact O-N 3.09Å
389	N	96.5	Very high	89.7	Confident	123 Å²	123	53.8 Å²	53.8	66%	0.658	28%	0.284	S	S	*	.	H	α-helix	trans	-61.8	-34.1	-173.3	-68.3	-16.3	0	0	0	113.6	L392 L393	N389-L392 PolarHBondContact O-N 3.46Å; N389-L393 WeakPolarHBondContact O-CG 3.43Å; N389-L393 PolarHBondContact O-N 3.05Å; N389-L393 VanDerWaalsContact O-N 3.07Å
390	G	98.2	Very high	90.4	Very high	10 Å²	10	56.8 Å²	56.8	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-39.2	177.4	0	0	0	0	0	112	P319 N388 L393 Q394	P319-G390 WeakPolarHBondContact O-CA 3.32Å; N388-G390 VanDerWaalsContact C-N 3.29Å; N388-G390 PolarHBondContact O-N 3.2Å; N388-G390 PolarHBondContact OD1-N 2.74Å; G390-L393 PolarHBondContact O-N 2.75Å; G390-Q394 WeakPolarHBondContact O-CG 3.43Å; G390-Q394 PolarHBondContact O-N 3.13Å; G390-Q394 VanDerWaalsContact O-N 3.1Å; G390-Q394 PolarHBondContact O-NE2 3.16Å
391	F	98.3	Very high	91.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.1	-34	174.6	-63.5	-8.8	0	0	0	112.5	I315 L318 E321 I323 S353 R354 S357 P387 N388 Q394 L395	I315-F391 HydrophobicContact CD1-CE1 4.37Å; I315-F391 HydrophobicContact CD1-CZ 4.14Å; L318-F391 WeakPolarHBondContact O-CE1 3.07Å; E321-F391 HydrophobicContact CB-CE1 4.05Å; E321-F391 HydrophobicContact CB-CZ 4.34Å; E321-F391 WeakPolarHBondContact O-CE1 3.09Å; I323-F391 HydrophobicContact CB-CD1 3.91Å; I323-F391 HydrophobicContact CB-CE1 3.82Å; I323-F391 HydrophobicContact CB-CG 4.37Å; I323-F391 HydrophobicContact CB-CZ 4.19Å; I323-F391 HydrophobicContact CD1-CD2 3.93Å; I323-F391 HydrophobicContact CD1-CE1 4.48Å; I323-F391 HydrophobicContact CD1-CE2 3.79Å; I323-F391 HydrophobicContact CD1-CG 4.37Å; I323-F391 HydrophobicContact CD1-CZ 4.07Å; I323-F391 HydrophobicContact CG2-CB 4.09Å; I323-F391 HydrophobicContact CG2-CD1 3.4Å; I323-F391 VanDerWaalsContact CG2-CD1 3.4Å; I323-F391 HydrophobicContact CG2-CD2 4.35Å; I323-F391 HydrophobicContact CG2-CE1 3.87Å; I323-F391 HydrophobicContact CG2-CG 3.69Å; S353-F391 WeakPolarHBondContact OG-CD2 3.48Å; R354-F391 HydrophobicContact CB-CE2 4.48Å; R354-F391 HydrophobicContact CG-CE2 3.63Å; R354-F391 HydrophobicContact CG-CZ 4.2Å; S357-F391 WeakPolarHBondContact OG-CB 3.39Å; S357-F391 WeakPolarHBondContact OG-CD2 3.33Å; P387-F391 HydrophobicContact CB-CB 4.36Å; N388-F391 WeakPolarHBondContact ND2-CD2 3.44Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.26Å; N388-F391 WeakPolarHBondContact ND2-CG 3.47Å; N388-F391 WeakPolarHBondContact ND2-CZ 3.24Å; N388-F391 PolarHBondContact O-N 3.2Å; N388-F391 VanDerWaalsContact O-N 3.15Å; N388-F391 PolarHBondContact OD1-N 3.25Å; F391-Q394 PolarHBondContact O-N 2.96Å; F391-L395 WeakPolarHBondContact O-CB 3.49Å; F391-L395 WeakPolarHBondContact O-CD1 3.16Å; F391-L395 VanDerWaalsContact O-CG 3.28Å; F391-L395 WeakPolarHBondContact O-CG 3.27Å; F391-L395 PolarHBondContact O-N 3.48Å
392	L	97.9	Very high	92.4	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-41.7	172.9	-77.5	171.4	0	0	0	112.2	M360 V371 L375 P387 N388 N389 L395 L396	M360-L392 HydrophobicContact CE-CD2 4.46Å; V371-L392 HydrophobicContact CG1-CD2 4.43Å; L375-L392 HydrophobicContact CD2-CD2 4.47Å; P387-L392 HydrophobicContact CB-CD2 4.18Å; P387-L392 HydrophobicContact CB-CG 4.05Å; P387-L392 HydrophobicContact CG-CD2 4.33Å; N388-L392 PolarHBondContact O-N 3.09Å; N389-L392 PolarHBondContact O-N 3.46Å; L392-L395 HydrophobicContact CD2-CD1 4.48Å; L392-L395 PolarHBondContact O-N 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.15Å; L392-L396 PolarHBondContact O-N 3.03Å
393	L	98.1	Very high	92.9	Very high	109 Å²	109	60.1 Å²	60.1	57%	0.571	31%	0.305	S	S	*	.	H	α-helix	trans	-62.9	-45	175.5	-69.1	172.7	0	0	0	111.2	N389 G390 L395 L396 E397	N389-L393 WeakPolarHBondContact O-CG 3.43Å; N389-L393 PolarHBondContact O-N 3.05Å; N389-L393 VanDerWaalsContact O-N 3.07Å; G390-L393 PolarHBondContact O-N 2.75Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 2.75Å; L393-L396 WeakPolarHBondContact O-CB 3.09Å; L393-L396 PolarHBondContact O-N 2.93Å; L393-L396 VanDerWaalsContact O-N 3.12Å; L393-E397 PolarHBondContact O-N 3.34Å
394	Q	98.5	Very high	92.5	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-32.6	175.6	-75.2	175.2	58.1	0	0	113.3	E321 D322 K324 G390 F391 Y398	E321-Q394 PolarHBondContact O-NE2 2.89Å; D322-Q394 PolarHBondContact OD1-OE1 2.75Å; K324-Q394 HydrophobicContact CB-CB 4.18Å; K324-Q394 HydrophobicContact CB-CG 4.4Å; G390-Q394 WeakPolarHBondContact O-CG 3.43Å; G390-Q394 PolarHBondContact O-N 3.13Å; G390-Q394 VanDerWaalsContact O-N 3.1Å; G390-Q394 PolarHBondContact O-NE2 3.16Å; F391-Q394 PolarHBondContact O-N 2.96Å; Q394-Y398 WeakPolarHBondContact O-CB 2.84Å; Q394-Y398 PolarHBondContact O-N 3.16Å
395	L	98.2	Very high	91.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.1	-36	173.5	-77.4	161.7	0	0	0	112.4	F327 M360 A361 I364 V371 F391 L392 L393 Y398 E399	F327-L395 HydrophobicContact CE1-CD2 4.47Å; F327-L395 HydrophobicContact CE2-CD2 3.77Å; F327-L395 HydrophobicContact CE2-CG 4.22Å; F327-L395 HydrophobicContact CZ-CD2 3.61Å; F327-L395 HydrophobicContact CZ-CG 3.93Å; M360-L395 HydrophobicContact CB-CD1 4.19Å; M360-L395 HydrophobicContact CB-CD2 4Å; M360-L395 HydrophobicContact CE-CD1 3.87Å; M360-L395 HydrophobicContact SD-CD1 4.12Å; A361-L395 HydrophobicContact CB-CD2 3.97Å; I364-L395 HydrophobicContact CD1-CB 4.41Å; I364-L395 HydrophobicContact CD1-CD2 3.83Å; V371-L395 HydrophobicContact CG1-CB 4.48Å; V371-L395 HydrophobicContact CG2-CB 3.94Å; V371-L395 WeakPolarHBondContact CG2-O 3.16Å; F391-L395 WeakPolarHBondContact O-CB 3.49Å; F391-L395 WeakPolarHBondContact O-CD1 3.16Å; F391-L395 VanDerWaalsContact O-CG 3.28Å; F391-L395 WeakPolarHBondContact O-CG 3.27Å; F391-L395 PolarHBondContact O-N 3.48Å; L392-L395 HydrophobicContact CD2-CD1 4.48Å; L392-L395 PolarHBondContact O-N 3.26Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 2.75Å; L395-Y398 PolarHBondContact O-N 2.99Å; L395-E399 PolarHBondContact O-N 3.08Å
396	L	96.8	Very high	88.7	Confident	80 Å²	80	73.3 Å²	73.3	42%	0.419	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-45.3	173.6	-72	164.7	0	0	0	111	V371 L392 L393 Y398 E399 E400	V371-L396 HydrophobicContact CB-CD2 3.98Å; V371-L396 HydrophobicContact CG1-CD2 4.23Å; V371-L396 HydrophobicContact CG1-CG 4.43Å; V371-L396 HydrophobicContact CG2-CD2 4.01Å; V371-L396 HydrophobicContact CG2-CG 4.3Å; L392-L396 WeakPolarHBondContact O-CG 3.15Å; L392-L396 PolarHBondContact O-N 3.03Å; L393-L396 WeakPolarHBondContact O-CB 3.09Å; L393-L396 PolarHBondContact O-N 2.93Å; L393-L396 VanDerWaalsContact O-N 3.12Å; L396-Y398 VanDerWaalsContact C-N 3.27Å; L396-Y398 PolarHBondContact O-N 2.77Å; L396-E399 PolarHBondContact O-N 3.13Å; L396-E400 PolarHBondContact O-N 3.11Å; L396-E400 VanDerWaalsContact O-N 3.08Å
397	E	97.4	Very high	88.8	Confident	89 Å²	89	70.3 Å²	70.3	42%	0.416	36%	0.356	S	S	.	.	H	α-helix	trans	-57.1	-42.6	172.3	-69.5	175.5	-164.5	0	0	111.3	K324 L393 E400 E401	K324-E397 HydrophobicContact CD-CB 4.36Å; K324-E397 IonicContact NZ-OE2 2.55Å; K324-E397 PolarHBondContact NZ-OE2 3.19Å; L393-E397 PolarHBondContact O-N 3.34Å; E397-E400 PolarHBondContact O-N 3.32Å; E397-E401 WeakPolarHBondContact O-CG 3.47Å; E397-E401 PolarHBondContact O-N 3.04Å
398	Y	97.7	Very high	88.5	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.016	37%	0.373	C	S	.	.	H	α-helix	trans	-66.6	-39	178	-170.9	-115	0	0	0	112.9	K324 F327 E328 N331 A361 I364 K365 Q394 L395 L396 E400 E401 V402	K324-Y398 HydrophobicContact CG-CD2 4.46Å; F327-Y398 HydrophobicContact CB-CE1 4.38Å; F327-Y398 HydrophobicContact CB-CE2 4.18Å; F327-Y398 AromaticContact CD2-CD1 3.81Å; F327-Y398 HydrophobicContact CD2-CD1 3.81Å; F327-Y398 AromaticContact CD2-CD2 3.91Å; F327-Y398 HydrophobicContact CD2-CD2 3.91Å; F327-Y398 HydrophobicContact CD2-CE1 4.25Å; F327-Y398 HydrophobicContact CD2-CE2 4.35Å; F327-Y398 AromaticContact CD2-CG 3.61Å; F327-Y398 HydrophobicContact CD2-CG 3.61Å; F327-Y398 HydrophobicContact CE2-CD1 4.38Å; F327-Y398 HydrophobicContact CE2-CG 4.16Å; E328-Y398 PolarHBondContact OE1-OH 3.42Å; N331-Y398 PolarHBondContact ND2-OH 3.07Å; A361-Y398 HydrophobicContact CB-CD1 4.13Å; A361-Y398 HydrophobicContact CB-CE1 4.03Å; A361-Y398 WeakPolarHBondContact O-CE1 3.38Å; I364-Y398 HydrophobicContact CG2-CD1 4.34Å; K365-Y398 HydrophobicContact CB-CE1 4.15Å; K365-Y398 WeakPolarHBondContact CD-OH 3.49Å; Q394-Y398 WeakPolarHBondContact O-CB 2.84Å; Q394-Y398 PolarHBondContact O-N 3.16Å; L395-Y398 PolarHBondContact O-N 2.99Å; L396-Y398 VanDerWaalsContact C-N 3.27Å; L396-Y398 PolarHBondContact O-N 2.77Å; Y398-E400 VanDerWaalsContact C-N 3.31Å; Y398-E400 PolarHBondContact O-N 3.23Å; Y398-E401 PolarHBondContact O-N 3.21Å; Y398-V402 HydrophobicContact CD1-CG2 4.12Å; Y398-V402 HydrophobicContact CD2-CG2 4.24Å; Y398-V402 HydrophobicContact CE1-CG2 3.77Å; Y398-V402 HydrophobicContact CE2-CG2 3.9Å; Y398-V402 HydrophobicContact CG-CG2 4.35Å; Y398-V402 WeakPolarHBondContact O-CB 3.44Å; Y398-V402 VanDerWaalsContact O-CG2 3.27Å; Y398-V402 WeakPolarHBondContact O-CG2 3.35Å; Y398-V402 PolarHBondContact O-N 2.85Å
399	E	95.3	Very high	88.1	Confident	19 Å²	19	76.4 Å²	76.4	9%	0.089	39%	0.386	C	S	.	.	H	α-helix	trans	-58.7	-42.9	173.1	177.8	-179.8	-174.1	0	0	111.3	I364 S370 V371 L395 L396 R403	I364-E399 HydrophobicContact CG2-CB 3.95Å; I364-E399 HydrophobicContact CG2-CG 4.34Å; S370-E399 WeakPolarHBondContact CA-OE1 3.09Å; S370-E399 WeakPolarHBondContact CB-OE1 3.35Å; V371-E399 WeakPolarHBondContact CB-OE2 3.47Å; V371-E399 HydrophobicContact CG2-CB 4.01Å; V371-E399 WeakPolarHBondContact CG2-OE2 3.13Å; V371-E399 PolarHBondContact N-OE2 3.02Å; L395-E399 PolarHBondContact O-N 3.08Å; L396-E399 PolarHBondContact O-N 3.13Å; E399-R403 WeakPolarHBondContact O-CB 3.49Å; E399-R403 VanDerWaalsContact O-CG 3.29Å; E399-R403 WeakPolarHBondContact O-CG 3.43Å; E399-R403 PolarHBondContact O-N 3.03Å; E399-R403 IonicContact OE1-CZ 2.79Å; E399-R403 IonicContact OE1-NE 2.8Å; E399-R403 IonicContact OE1-NH1 2.73Å; E399-R403 PolarHBondContact OE1-NH1 2.98Å; E399-R403 IonicContact OE1-NH2 3.72Å; E399-R403 PolarHBondContact OE1-NH2 3.25Å
400	E	94.7	Very high	87.6	Confident	148 Å²	148	73.7 Å²	73.7	69%	0.692	37%	0.37	S	S	*	.	H	α-helix	trans	-65	-46.3	175.4	-69.2	-178.4	172.8	0	0	112	L396 E397 Y398 V402 R403 G404	L396-E400 PolarHBondContact O-N 3.11Å; L396-E400 VanDerWaalsContact O-N 3.08Å; E397-E400 PolarHBondContact O-N 3.32Å; Y398-E400 VanDerWaalsContact C-N 3.31Å; Y398-E400 PolarHBondContact O-N 3.23Å; E400-V402 PolarHBondContact O-N 3.27Å; E400-R403 PolarHBondContact O-N 2.85Å; E400-G404 PolarHBondContact O-N 3.07Å
401	E	95	Very high	86.9	Confident	85 Å²	85	77.7 Å²	77.7	40%	0.397	39%	0.387	S	S	.	.	H	α-helix	trans	-60.7	-42	178.2	-75.9	175.2	-155.4	0	0	112.5	K324 E397 Y398	K324-E401 IonicContact NZ-OE1 3.69Å; K324-E401 PolarHBondContact NZ-OE1 3.15Å; E397-E401 WeakPolarHBondContact O-CG 3.47Å; E397-E401 PolarHBondContact O-N 3.04Å; Y398-E401 PolarHBondContact O-N 3.21Å
402	V	89.3	Confident	86.1	Confident	33 Å²	33	82.9 Å²	82.9	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-69.7	-40.2	179.1	171.6	0	0	0	0	111	K365 Y398 E400	K365-V402 HydrophobicContact CB-CG1 4.47Å; K365-V402 HydrophobicContact CB-CG2 4.37Å; K365-V402 HydrophobicContact CG-CG1 4.43Å; Y398-V402 HydrophobicContact CD1-CG2 4.12Å; Y398-V402 HydrophobicContact CD2-CG2 4.24Å; Y398-V402 HydrophobicContact CE1-CG2 3.77Å; Y398-V402 HydrophobicContact CE2-CG2 3.9Å; Y398-V402 HydrophobicContact CG-CG2 4.35Å; Y398-V402 WeakPolarHBondContact O-CB 3.44Å; Y398-V402 VanDerWaalsContact O-CG2 3.27Å; Y398-V402 WeakPolarHBondContact O-CG2 3.35Å; Y398-V402 PolarHBondContact O-N 2.85Å; E400-V402 PolarHBondContact O-N 3.27Å
403	R	81.7	Confident	85.3	Confident	148 Å²	148	85.9 Å²	85.9	56%	0.558	43%	0.427	S	S	*	.	H	α-helix	trans	-75.6	-27.1	179.5	-73.9	-175.8	174	156.4	13.5	114.2	E399 E400 R405	E399-R403 WeakPolarHBondContact O-CB 3.49Å; E399-R403 VanDerWaalsContact O-CG 3.29Å; E399-R403 WeakPolarHBondContact O-CG 3.43Å; E399-R403 PolarHBondContact O-N 3.03Å; E399-R403 IonicContact OE1-CZ 2.79Å; E399-R403 IonicContact OE1-NE 2.8Å; E399-R403 IonicContact OE1-NH1 2.73Å; E399-R403 PolarHBondContact OE1-NH1 2.98Å; E399-R403 IonicContact OE1-NH2 3.72Å; E399-R403 PolarHBondContact OE1-NH2 3.25Å; E400-R403 PolarHBondContact O-N 2.85Å; R403-R405 VanDerWaalsContact C-N 3.29Å
404	G	67.4	Low	84.3	Confident	63 Å²	63	84.1 Å²	84.1	65%	0.649	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.6	178.9	0	0	0	0	0	114.8	E400 L406	E400-G404 PolarHBondContact O-N 3.07Å; G404-L406 VanDerWaalsContact C-N 3.35Å; G404-L406 PolarHBondContact O-N 2.61Å; G404-L406 VanDerWaalsContact O-N 3.1Å
405	R	51.8	Low	83.1	Confident	162 Å²	162	89.2 Å²	89.2	61%	0.611	44%	0.442	S	S	*	.			trans	-81	80.8	171.9	-72.9	178	-174.4	169.3	5.8	110.1	E328 R403	E328-R405 IonicContact OE1-NH1 2.83Å; R403-R405 VanDerWaalsContact C-N 3.29Å
406	L	32.3	Very low	81.8	Confident	239 Å²	239	97.3 Å²	97.3	100%	1.251	48%	0.482	S	S	*	.			trans	-93.4	0	155.5	-84.8	169.1	0	0	0	110	G404	G404-L406 VanDerWaalsContact C-N 3.35Å; G404-L406 PolarHBondContact O-N 2.61Å; G404-L406 VanDerWaalsContact O-N 3.1Å

Retrieved 406 of 406 residues in 2510.5 ms (Link to these results)

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